#DEFINITION	Reference Metabolome for Carya illinoinensis
#IDENTTFIER	RefMeta-Carya illinoinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Carya illinoinensis
#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 Carya illinoinensis 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	999.553
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98312	0.5
71.01251	10.4
71.04903	0.3
72.99187	1.0
73.02824	1.6
75.00755	0.3
78.95776	0.4
81.03330	0.5
83.01263	1.1
83.04887	0.7
85.02818	2.5
87.00748	2.4
89.02315	8.2
93.03346	0.2
93.06944	0.3
95.01262	1.0
95.04899	0.3
96.95358	0.2
96.95892	1.0
97.02836	2.7
97.06456	0.5
99.00771	0.5
99.04408	0.3
101.02322	7.5
109.02898	0.2
109.06471	0.7
111.00745	0.2
111.04417	0.4
111.08041	10.6
112.08324	0.2
112.53494	0.2
113.02323	4.2
114.91373	0.2
116.92748	0.2
119.03366	2.1
121.02843	0.3
121.06371	0.2
123.08016	0.2
125.02348	2.7
125.09591	0.2
127.07552	1.1
131.03365	0.3
137.09610	0.4
137.63611	0.2
137.65623	0.2
139.03902	0.2
141.01756	0.3
141.09174	0.2
143.03404	1.1
149.04390	0.2
151.11136	0.9
153.12762	1.1
155.10725	0.2
161.04442	1.7
163.11142	0.5
165.12775	1.4
167.10657	0.4
169.04918	0.2
169.12247	4.6
170.12563	0.3
171.10178	1.0
179.05537	3.2
179.10672	0.6
179.14262	0.2
181.12218	1.5
183.13774	1.0
185.11755	0.4
193.12283	0.3
193.61722	0.2
197.11760	48.3
198.12093	2.1
199.13342	2.5
209.11734	0.6
211.13339	6.4
212.13702	0.4
221.06606	1.1
223.13324	0.3
227.12863	1.5
235.08186	2.8
235.13283	0.2
244.14314	0.2
247.20676	0.9
253.09209	0.7
263.07684	0.4
263.20139	3.5
265.18134	1.1
273.18542	0.8
284.97202	0.2
287.07751	0.8
289.18149	0.3
291.19666	19.1
292.19925	1.2
293.21100	0.7
299.99271	0.2
301.00085	0.3
305.08694	0.8
307.19376	0.3
309.20700	100.0
310.21039	8.4
323.09714	0.7
325.20413	0.2
327.21722	0.3
333.20697	0.6
351.21747	0.3
379.12259	0.9
397.13486	21.8
398.13867	1.4
415.14560	14.8
416.14819	0.9
471.34824	0.4
530.46783	0.2
577.25079	0.2
595.25610	0.3
601.41229	1.8
602.41138	0.2
671.33911	0.2
689.34058	1.9
690.34113	0.3
707.34747	4.4
708.35046	0.7
782.63678	0.2
933.12292	0.2
999.54510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79385	1.0
71.01252	11.8
71.04871	0.2
72.99181	0.9
73.02814	1.3
75.00735	0.3
78.95819	0.2
80.02547	0.2
81.03327	0.5
83.01250	0.9
83.04894	0.8
85.02819	2.4
87.00747	2.6
89.02317	8.7
93.06975	0.2
95.01263	1.0
95.04865	0.3
96.00426	0.2
96.95880	0.5
97.02822	3.0
97.06453	0.4
98.03623	0.2
98.20456	0.2
99.00772	0.9
99.04388	0.2
101.02320	7.9
102.01231	0.2
109.06463	0.7
111.00769	0.4
111.04376	0.3
111.08040	9.4
112.08358	0.3
113.02328	4.8
113.09599	0.2
119.03397	2.3
121.02838	0.3
121.10077	0.2
123.04474	0.2
123.08094	0.3
124.01562	0.2
125.02331	3.3
125.05995	0.3
125.09605	0.5
127.07528	0.8
131.03380	0.4
133.04932	0.2
137.09599	0.8
139.03857	0.2
141.01826	0.4
141.09119	0.3
143.03404	1.4
149.04431	0.4
151.11183	0.5
153.09131	0.4
153.12743	1.0
159.02893	0.2
161.04466	1.8
163.11150	0.9
165.09113	0.2
165.11801	0.1
165.12778	1.7
167.03403	0.3
167.10652	0.4
167.14235	0.2
169.12253	4.2
170.12720	0.2
171.10179	1.2
179.05540	2.7
179.10609	0.3
179.14394	0.3
181.12279	1.0
183.13882	0.9
191.14433	0.2
193.12259	0.7
193.15839	0.4
195.13785	0.3
197.11758	47.0
198.12086	2.4
199.05981	0.2
199.13342	2.6
209.11743	0.9
211.13341	6.4
212.13649	0.3
217.07149	0.3
221.06616	1.1
221.11742	0.4
223.13379	0.5
227.12825	2.0
235.08163	2.7
235.13139	0.3
239.12820	0.2
247.20726	1.3
253.09264	0.7
263.07687	0.2
263.20148	2.4
264.20667	0.3
265.18106	1.6
273.18613	1.0
287.07715	0.7
289.18021	0.3
291.19659	23.2
292.20053	2.0
293.21201	1.3
300.99719	0.4
303.15939	0.2
305.08694	1.1
309.20691	100.0
310.21024	7.6
323.09833	0.8
325.20111	0.6
333.20721	0.6
379.12448	1.3
397.13477	22.0
398.13782	1.7
415.14548	14.4
416.14987	1.1
416.36029	0.2
513.27222	0.2
595.26160	0.7
601.41022	1.9
613.45502	0.2
689.33643	2.1
690.34717	0.4
707.34894	3.5
708.35040	0.8
999.54919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.553
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	34.6
72.99144	3.1
73.02800	3.9
74.07515	1.7
75.03194	1.4
77.83990	1.4
78.95757	2.1
81.03360	2.0
83.01259	4.2
83.04906	2.1
83.74579	1.5
85.02815	9.0
87.00746	7.3
89.01777	1.9
89.02309	26.2
92.33556	1.5
95.01244	2.6
95.04879	2.6
96.13509	1.8
96.95873	11.9
97.02808	6.1
97.06447	4.7
97.30924	1.7
98.20631	2.7
99.00714	1.8
101.02322	30.7
109.06464	2.4
111.08060	8.6
113.02322	15.2
116.86241	1.5
116.92713	2.9
119.03395	7.8
123.04408	2.8
123.08038	2.7
125.02341	8.8
125.09602	9.6
137.09633	4.9
143.03375	4.9
148.80586	1.6
159.25269	1.5
161.04449	4.7
163.11159	4.8
165.12724	2.9
167.10680	1.9
169.12267	1.8
171.10176	2.4
179.05518	7.2
179.10620	1.6
185.11731	7.2
191.14308	6.4
195.13841	11.1
197.11763	18.0
199.13205	2.0
207.10373	3.0
209.11736	13.3
211.13303	6.6
221.06534	3.4
223.13374	8.8
227.12738	4.7
235.08226	4.7
237.11316	2.1
245.19029	10.4
246.19417	1.6
253.09256	2.2
263.20273	3.3
275.20184	7.2
289.14807	2.6
289.18094	53.9
290.18408	4.4
291.19666	49.9
292.20001	3.4
293.21219	100.0
294.21481	6.3
300.99731	2.2
307.15707	2.5
307.19122	41.2
308.19382	3.9
309.20706	39.9
309.24268	2.1
310.20929	5.2
358.23141	1.9
397.13437	38.7
398.14075	2.7
415.14474	22.9
471.34949	2.8
556.15851	1.9
580.41791	1.8
675.47412	1.7
963.35834	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	999.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	27.8
72.99170	1.6
73.02807	4.1
75.00724	0.6
78.95728	0.5
81.03324	2.3
83.01257	3.9
83.04899	1.8
85.02822	6.6
87.00748	5.5
89.02312	22.0
89.33233	0.5
93.03332	0.7
95.01263	2.3
95.04890	1.4
97.02824	5.5
97.06448	3.1
99.00738	1.8
101.02320	18.8
106.04145	0.7
109.02867	0.5
109.06466	1.0
111.00774	1.2
111.04372	0.7
111.08041	4.8
113.02323	10.4
113.09563	0.9
119.03378	5.7
121.02806	0.5
121.06500	0.7
123.04395	1.7
123.08051	1.6
125.02329	6.6
125.09603	5.6
127.07551	0.5
131.03384	1.4
135.08022	1.1
137.09605	2.1
139.03918	0.5
143.03392	3.4
145.04892	0.7
149.04517	0.9
149.09557	0.5
151.11195	0.7
161.04451	4.1
163.07593	0.7
163.11160	4.0
165.09016	0.6
165.12759	1.6
167.10672	1.7
169.12256	1.5
171.10170	2.2
177.12714	1.1
179.05522	5.5
179.10701	1.0
179.14420	1.0
181.12213	2.5
183.13850	0.7
185.11757	6.3
191.10719	1.2
191.14313	4.6
195.13828	10.2
196.14272	1.0
197.11745	13.3
198.12090	0.9
199.13177	0.9
205.12260	1.0
205.15932	0.7
207.10175	1.9
209.11752	11.4
211.13370	3.9
217.07024	0.5
221.06599	3.0
221.11754	0.8
223.13330	7.5
225.11266	1.6
225.14925	0.9
227.12865	4.5
228.13626	0.8
235.08176	5.2
237.11255	1.5
245.19072	8.3
247.20694	1.2
253.09259	1.0
256.13126	1.9
263.07718	1.4
263.20148	3.4
265.18213	0.6
271.17081	1.3
275.20117	5.5
281.21176	0.9
287.07773	0.9
287.16556	0.5
289.18085	38.6
290.18338	2.2
291.19653	28.4
292.19858	2.7
293.21210	100.0
294.21576	7.5
305.08755	1.9
307.19135	32.3
308.19409	2.3
309.20703	21.4
310.21146	1.6
311.22241	0.6
312.58566	0.5
317.21277	0.5
323.09811	0.7
325.20047	0.9
332.77026	0.6
333.20834	0.6
379.12564	1.2
397.13477	26.5
398.13834	1.9
415.14557	15.6
416.14874	0.9
583.38837	0.6
589.25354	0.7
607.26001	1.2
689.33783	1.3
705.33850	1.0
710.27295	0.6
815.69122	0.6
981.54211	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	999.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44733	0.3
71.01253	19.1
72.99184	2.3
73.02807	2.4
75.00755	0.5
81.03333	1.0
83.01249	2.1
83.04888	1.1
85.02818	4.2
87.00750	4.2
88.19233	0.4
89.01752	0.8
89.02314	16.3
93.03308	0.7
95.01266	2.1
95.04898	1.3
97.02814	2.8
98.19801	1.2
99.00755	1.1
99.92452	0.6
101.02322	14.1
109.02817	0.4
109.06496	1.0
111.04342	0.7
111.08046	10.7
113.02328	7.8
113.09562	0.5
116.92747	4.9
119.03381	4.4
119.04945	0.5
123.08072	0.4
125.02325	4.0
127.07573	0.4
128.33034	0.3
131.03409	1.2
135.11600	0.4
137.09616	1.4
139.11230	0.5
141.01828	0.6
143.03375	1.6
145.04980	0.4
149.04446	0.4
149.09598	1.0
155.10715	0.5
159.11758	0.4
159.72414	0.3
160.44818	0.3
161.04445	2.9
167.10710	2.3
167.11890	0.4
171.02930	0.4
171.10139	0.9
175.11293	0.4
177.12749	3.1
179.05524	2.9
179.10710	2.1
179.14241	0.6
195.13831	9.0
196.14217	0.8
197.11786	1.0
203.14294	0.6
221.06650	2.2
223.13287	1.4
229.51845	0.4
235.08156	3.2
245.19191	0.8
247.20705	2.1
251.93961	0.4
253.09174	0.9
263.07761	0.7
273.18564	1.6
275.20145	2.2
277.09283	0.4
289.18073	5.5
290.18365	0.6
291.19653	100.0
292.19977	8.5
293.21225	10.9
293.24503	0.6
294.21545	0.7
305.08762	0.4
307.19107	6.1
309.20697	1.2
309.23975	0.4
323.09726	0.5
325.23569	0.5
333.20630	0.4
379.12366	0.7
397.13489	11.8
398.13855	1.2
415.14545	6.7
416.15204	0.5
478.25153	0.5
684.27075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	6.0
71.01251	40.2
71.04893	1.4
71.30373	1.1
72.99174	5.0
73.02820	7.2
75.00710	1.3
78.95798	1.4
80.02538	1.6
81.03331	3.7
81.88633	1.0
83.01256	7.0
83.04911	2.6
84.02035	1.1
85.02827	13.5
87.00760	9.9
89.02316	34.0
89.02843	2.3
93.03349	2.2
95.01263	4.1
95.04892	4.8
96.95870	2.7
97.02822	11.7
97.06470	3.8
99.00739	4.3
101.02319	29.5
106.04093	3.4
107.04905	3.1
109.02825	2.5
109.06462	7.7
111.04401	1.4
111.08033	9.8
113.02329	18.5
116.92751	2.1
119.03399	7.9
119.04869	1.1
121.02825	1.2
121.06470	1.8
123.04437	1.5
125.02316	13.2
125.09595	5.3
127.07573	2.0
131.03400	1.3
135.04372	1.4
135.08026	2.3
137.09610	3.2
138.03043	1.1
139.03766	1.1
141.09209	1.1
143.03369	4.8
149.05986	1.7
149.09624	2.4
151.07588	1.4
161.04482	7.2
161.65987	1.1
163.11212	6.1
165.12747	2.0
167.10669	1.9
169.12260	3.6
171.10175	2.5
175.11223	1.6
177.09184	1.1
177.12758	6.5
179.05551	11.3
179.14322	2.0
181.12218	3.6
185.11769	6.8
187.00250	2.2
189.00273	1.2
189.01855	4.9
191.14334	7.5
195.13824	21.2
197.11749	46.1
198.12080	2.3
199.13338	2.5
203.10715	4.7
203.14284	3.1
207.10146	2.6
207.13774	1.9
209.11774	12.5
209.15346	2.3
211.13315	9.5
212.13692	1.7
221.06580	5.2
221.11815	5.5
221.15451	2.1
223.13350	8.1
225.11221	3.5
227.12872	5.4
229.12189	1.8
229.47838	1.5
235.08150	9.1
235.13332	9.8
237.11269	3.3
237.14975	5.3
243.17438	2.0
245.19070	9.6
246.19539	1.2
247.13371	16.4
248.13754	1.8
253.09227	3.2
253.14456	1.6
261.18658	7.4
263.07648	2.9
263.20236	5.5
265.14468	9.2
271.17142	2.4
273.18539	2.0
275.20193	6.5
277.18024	1.1
279.19653	2.3
287.07623	2.0
287.16495	6.9
289.18091	51.6
290.18506	2.7
291.19644	26.1
293.21219	100.0
294.21545	7.9
300.99820	1.5
305.08759	2.7
305.17557	38.1
306.17844	2.4
307.19150	50.6
308.19528	3.8
309.20700	85.1
310.20963	6.9
323.09628	2.6
323.18649	2.6
349.60394	1.1
379.12558	3.7
397.13467	61.3
398.13821	3.2
415.14542	33.9
471.34891	2.9
487.34042	1.7
524.36591	1.1
602.23737	1.6
627.26508	2.2
633.27618	3.7
645.27362	3.1
663.28571	3.2
687.32385	2.3
703.31543	4.8
705.33630	2.6
707.34766	1.9
895.46313	3.8
899.45984	1.9
909.48462	6.1
921.48218	3.3
939.49683	14.3
940.50232	2.7
979.51575	7.1
980.53986	2.5
997.52533	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	997.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90470	0.5
80.21114	0.1
83.01254	3.3
89.00719	0.1
91.01788	0.2
93.03335	1.4
95.01261	0.2
98.20506	0.1
107.01270	10.8
108.01522	0.1
108.99187	0.2
109.02823	2.1
111.00748	0.2
117.77834	0.1
119.01266	0.2
121.02843	9.8
122.03202	0.3
125.02341	0.7
135.00757	0.3
137.02357	0.1
139.03862	0.5
145.02852	0.2
146.03601	0.1
147.00757	0.2
147.04405	0.2
148.01579	0.2
149.02345	1.2
151.00270	42.2
152.00583	1.5
153.01826	0.1
157.06471	0.1
159.04358	0.4
161.02316	0.5
161.05998	0.1
163.00275	2.3
163.03905	0.6
164.01045	0.7
165.01843	0.2
167.04926	0.1
169.01328	2.3
169.02783	0.1
171.04402	0.3
173.06001	0.2
174.03137	0.1
175.03946	0.6
177.05524	0.1
178.99774	17.5
180.00113	0.7
182.03548	0.1
183.04395	0.3
185.06000	0.4
187.03920	0.7
189.01874	0.2
189.05327	0.1
190.99846	0.2
192.00529	0.3
193.01320	0.9
196.00049	0.2
197.45152	0.1
199.03889	0.2
201.05513	0.7
203.03430	0.3
205.04955	0.4
211.03964	1.3
212.04790	0.2
213.01895	0.1
213.05518	0.2
214.02594	0.2
215.03433	0.3
227.03448	0.9
228.04126	0.2
229.04970	1.4
230.02242	0.1
231.02963	0.2
233.04398	0.1
239.03490	0.4
240.04202	0.2
243.02954	0.5
244.03589	0.1
245.04507	2.2
246.04898	0.2
255.02966	2.3
256.03613	0.4
257.04645	0.7
259.02405	0.1
266.02194	0.2
271.02493	1.4
272.02960	0.3
273.04056	2.7
274.04416	0.2
283.02524	0.6
284.03162	0.2
299.02051	0.7
299.99393	0.2
300.02667	1.5
301.03510	100.0
302.03842	8.0
303.04269	0.1
380.99197	30.6
381.99539	2.7
426.01373	0.1
463.08682	0.3
467.36301	0.1
615.09973	3.0
616.10187	0.5
695.05804	0.2
937.02332	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	996.502
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	25.6
71.51614	11.9
78.95772	17.9
88.98648	11.1
89.02292	9.3
96.95885	27.8
101.02370	17.7
125.02318	22.1
169.25970	9.6
185.15060	10.3
191.05426	9.8
209.11766	16.7
289.18082	100.0
290.18457	49.3
300.99875	24.8
307.36520	8.9
358.45801	10.1
397.13290	16.7
613.41614	11.0
960.12732	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	995.5
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	2.3
71.01241	8.8
71.50724	3.9
73.02821	2.7
75.00714	3.1
77.03816	3.0
78.95765	3.8
81.03321	7.2
83.01266	18.7
85.02792	3.6
88.98640	1.9
89.02317	3.6
93.03328	6.2
95.01240	3.0
95.04880	5.9
96.95868	3.6
97.02828	8.7
99.04373	5.6
101.02303	7.2
109.02850	10.4
111.00802	2.9
113.02332	3.9
119.03342	2.1
121.02842	9.4
122.03643	5.0
123.04405	4.4
124.01556	3.4
125.02336	89.4
135.04422	6.3
137.02339	79.4
139.03911	2.8
146.03633	26.9
149.02310	5.3
149.06059	2.0
151.03899	5.8
159.04434	13.3
160.05090	3.6
161.02371	3.8
161.04227	2.4
161.05882	3.5
163.00294	2.1
164.01027	20.9
165.01848	51.1
167.03384	26.4
172.05264	5.2
173.05972	4.2
174.03157	14.0
174.06876	3.0
175.03873	6.1
176.04718	4.0
177.01830	9.9
179.03409	21.0
185.05946	2.9
186.06725	2.4
187.03859	3.7
188.04681	10.7
191.03166	2.4
195.13734	2.4
197.05908	3.0
200.04684	4.5
201.05519	4.0
204.04176	7.8
209.05934	2.7
209.11832	2.9
210.06747	2.3
211.13396	3.1
212.04697	7.4
213.05391	2.8
225.05493	5.2
225.12929	2.4
226.06230	4.4
243.13995	2.6
250.06340	2.8
251.06975	3.3
255.13922	3.0
266.08981	2.2
268.07468	4.8
269.11810	9.3
271.13379	35.2
277.21756	22.3
278.22052	2.9
283.13419	4.6
283.73514	2.2
285.14899	6.9
289.14374	9.3
293.21234	9.5
294.05884	2.3
294.08984	7.3
295.13336	3.2
297.14896	5.0
299.12833	12.2
300.99936	4.1
301.14365	4.7
303.16235	2.5
309.14899	4.9
313.14520	22.6
315.15775	4.3
325.14386	11.9
331.15378	3.8
335.16388	4.8
337.14438	9.4
343.15439	7.1
351.16113	4.3
353.17358	2.8
355.15344	4.8
377.17569	5.7
378.35596	2.4
379.15424	3.0
395.18729	4.4
419.18613	18.6
437.19574	9.5
463.17630	6.2
567.24475	3.5
591.24121	2.8
673.28680	5.6
717.27917	5.0
827.46149	23.6
828.45947	3.1
839.45813	18.8
840.45593	3.8
851.46289	9.8
857.46973	12.8
858.46411	3.2
869.46613	2.6
933.49774	17.2
934.49860	3.3
951.49915	5.5
959.46692	4.3
960.46655	3.1
977.49030	100.0
978.49762	16.6
995.50079	72.8
996.50818	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	991.214
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	3.7
71.08201	0.3
71.08535	0.5
72.99192	0.4
73.02802	0.3
75.00747	0.9
83.01281	0.3
83.81129	0.3
85.02818	2.5
87.00755	0.6
89.00211	0.5
89.02299	0.3
91.01763	1.1
93.03325	1.6
95.01261	0.9
97.02808	2.6
99.00782	0.9
103.00243	0.7
107.01269	0.4
108.02061	0.5
109.02839	3.4
109.99968	0.3
113.02300	2.0
113.92760	0.2
115.00291	0.3
116.32272	0.2
119.04867	0.3
121.02834	13.7
122.03149	0.4
124.01498	0.4
125.02347	0.7
137.02303	0.2
139.03879	0.5
140.09413	0.2
149.02335	1.5
149.99509	1.4
151.00252	1.1
151.03966	0.3
155.53403	0.3
161.02328	0.5
163.00267	0.9
163.04063	0.3
164.01067	0.4
165.01836	34.9
166.02135	1.2
169.01234	0.5
175.02376	1.6
175.03854	0.9
177.01932	0.4
179.03404	0.3
183.02956	0.5
191.05554	0.4
192.00529	0.4
193.01332	6.5
194.01767	0.4
198.03253	0.3
207.02907	0.9
216.04231	0.2
226.02686	1.4
227.03442	0.9
228.04199	1.2
243.02884	4.0
244.03694	0.5
254.02141	2.4
255.02956	3.8
256.03534	1.0
259.06058	1.0
269.04559	0.9
271.02469	16.4
272.03024	2.5
282.01675	0.4
286.02002	0.3
287.05634	2.3
297.04074	1.6
299.01978	1.1
300.02728	16.1
301.03055	1.2
314.04221	0.6
315.05081	100.0
316.05396	7.6
317.05521	0.5
385.76749	0.3
395.00708	2.0
396.01254	0.3
397.01038	0.4
444.08252	0.3
491.08286	72.0
492.08603	7.8
532.69934	0.3
1010.12305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37067	0.8
69.37389	0.1
80.96410	0.1
83.01266	0.1
89.00187	0.8
91.01781	0.6
93.03339	1.7
97.02826	2.8
103.49270	0.1
107.01250	0.3
108.02088	0.2
109.02835	1.7
109.99969	0.1
111.18395	0.1
121.02840	13.8
122.03168	0.4
124.01549	0.4
125.02308	0.2
133.92148	0.1
135.00803	0.1
137.02377	0.2
139.03896	0.6
147.00775	0.2
148.01607	0.2
149.02335	1.1
149.99486	1.3
151.00299	1.1
161.02353	0.3
163.00269	0.5
164.01038	0.2
165.01839	36.7
166.02170	1.2
169.01343	0.1
178.02667	0.2
179.03326	0.1
183.02876	0.3
183.04376	0.1
190.99773	0.1
192.00592	0.5
193.01353	5.7
194.01657	0.2
198.03113	0.2
200.04723	0.1
206.02167	0.1
207.02905	0.7
214.02672	0.1
215.03432	0.1
216.04282	0.2
226.02574	0.8
227.03352	0.6
228.04224	1.0
239.03552	0.2
241.04961	0.1
242.02217	0.2
243.02924	1.5
243.06685	0.2
244.01469	0.1
244.03667	0.8
254.02187	1.1
255.02943	1.1
256.03708	0.7
259.06152	0.7
269.04532	0.3
271.02472	5.8
271.05493	0.2
272.03198	1.3
283.02505	0.2
285.04175	0.2
287.05591	1.7
288.06195	0.1
297.04095	0.3
299.01895	0.2
300.02740	8.5
301.03036	0.5
313.03708	0.5
314.04211	0.3
315.05093	100.0
316.05420	6.3
395.00754	26.3
396.01068	1.9
516.91180	0.1
568.79816	0.1
690.42297	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	3.8
71.06214	1.4
72.99181	4.5
75.00774	1.2
83.01276	5.8
85.02818	4.0
87.00736	1.9
93.03320	3.0
94.43701	0.9
95.01276	3.6
104.76620	1.0
107.01271	15.1
109.02831	10.8
109.66566	1.0
111.00780	6.9
113.02327	5.1
121.02818	8.0
123.00751	3.2
123.04410	2.0
124.98685	1.6
125.02352	6.3
129.01840	1.0
133.02827	2.1
135.00784	1.6
135.04401	1.9
136.98755	1.5
137.02306	4.6
139.00269	14.7
139.03958	2.2
143.04897	1.2
147.04414	2.3
148.01569	1.5
149.02321	6.3
149.99504	1.0
151.00276	61.6
151.03830	2.1
152.00797	3.1
153.01836	8.2
154.99747	14.5
155.04855	1.2
159.04410	2.7
161.02332	2.2
163.00266	7.1
164.00940	1.3
164.98235	2.5
165.01855	1.1
165.98967	2.9
166.99770	8.1
169.01346	8.1
171.04420	2.0
175.02446	2.0
175.03931	2.8
177.01826	2.4
177.98904	1.1
178.99780	53.0
180.00212	1.9
180.97763	1.8
181.01321	1.3
183.04417	2.1
187.03943	5.5
189.01872	1.8
189.05406	1.8
190.99739	1.6
191.03427	1.7
192.00613	1.6
193.01416	7.7
193.03224	5.6
194.99297	7.4
198.03139	1.1
199.03903	5.0
201.01811	2.3
201.05333	1.3
203.03473	2.7
206.99303	2.2
209.00926	2.2
211.03961	1.2
214.02341	1.2
215.03362	5.0
217.01317	1.5
217.04926	1.4
219.02869	2.1
222.98712	1.7
225.01971	1.1
227.03485	4.2
229.01396	1.6
229.04974	2.0
231.02957	3.8
233.04506	4.3
241.01506	1.4
243.02983	9.5
245.04530	5.3
247.02516	1.2
255.03026	6.0
259.02396	2.9
261.04010	2.2
271.02414	12.4
272.02972	2.3
273.03918	2.6
283.02475	2.5
286.53833	1.2
287.01996	14.1
289.03561	5.6
297.00381	3.1
298.01123	1.9
299.01929	10.0
300.02521	2.5
301.03516	100.0
302.03860	8.1
315.01459	47.1
316.01892	5.0
317.02994	63.6
318.03250	3.5
332.01437	2.0
333.02493	79.0
334.02878	6.7
397.03925	2.2
465.06296	1.3
477.06738	68.2
478.07138	10.6
491.04684	2.0
493.06256	45.2
494.06732	3.5
509.05688	63.0
510.05899	7.2
747.08685	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	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	0.6
69.03317	2.6
70.98881	0.7
71.01252	20.3
72.99176	1.4
73.02814	2.9
74.49004	0.3
75.00723	0.6
75.50993	0.3
80.96359	0.4
81.03329	0.9
83.01263	2.2
83.04902	1.1
84.02033	0.5
85.02820	9.5
87.00747	4.7
89.02312	18.5
91.03867	0.5
95.01247	1.6
95.04911	0.5
97.02821	4.7
97.06447	2.1
98.78812	0.3
99.00742	1.1
99.08006	0.7
101.02322	16.2
109.06486	0.8
111.04388	0.9
111.08034	2.7
113.02319	7.3
113.09610	0.7
116.92698	0.7
119.03374	5.2
121.02873	0.6
123.59725	0.5
125.02326	5.9
125.09613	1.2
127.07570	0.7
127.11178	1.3
129.09061	0.7
131.03406	0.8
137.09608	1.9
139.03850	0.7
141.01834	0.6
141.52379	0.4
143.03406	2.9
149.04417	0.7
151.11217	0.5
155.10696	0.6
161.04411	3.5
165.12807	0.5
167.14285	0.6
169.12230	1.3
171.10176	20.4
172.10475	1.0
179.05539	5.2
179.14395	0.5
181.12254	1.4
183.13795	2.8
185.11752	0.9
193.12280	1.0
195.13844	5.3
196.14278	0.4
197.11745	11.4
198.12074	0.5
199.13283	1.7
201.11263	1.1
209.11758	1.5
211.13333	16.3
212.13683	0.7
217.07059	0.4
221.06747	2.0
221.11777	1.8
223.13364	1.6
227.12787	0.7
229.14423	7.5
230.14879	0.4
235.08191	6.9
239.12961	1.9
240.81726	0.4
253.09258	1.2
263.07748	1.0
263.20120	1.0
273.18329	0.5
275.20209	1.4
277.21704	34.5
278.22043	1.4
287.07773	1.5
291.19641	7.0
293.21213	24.0
294.21527	2.2
295.22778	25.7
296.23038	1.7
305.08676	2.5
307.19205	0.6
309.20700	29.0
310.20947	1.8
311.22256	24.9
311.91769	0.4
312.22360	1.8
323.09866	0.9
327.21744	100.0
328.22079	6.2
351.21716	0.6
379.12381	1.3
397.13483	63.4
398.13846	3.6
415.14563	24.1
416.14978	1.4
463.26221	0.4
587.43378	3.7
588.43658	0.6
589.26868	0.4
675.35944	3.2
676.36072	0.5
689.33063	0.6
691.35889	1.0
693.37396	0.6
707.34814	7.1
708.35529	1.1
709.36499	0.6
725.35797	3.5
726.35345	0.5
952.56592	0.4
985.56567	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	985.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.8
70.76056	0.4
71.01253	12.6
72.99195	0.8
73.02825	1.5
75.00720	0.6
78.95744	0.5
81.03327	0.8
83.01252	1.0
83.04874	0.5
85.02822	2.7
87.00751	2.6
89.02312	10.1
95.01247	0.9
97.02817	1.9
97.06487	0.7
99.00735	0.8
101.02321	8.7
111.00739	0.4
111.08035	0.8
113.02329	5.0
113.09602	7.6
116.92732	1.0
119.03377	2.9
121.02843	0.4
125.02345	3.0
131.03349	0.7
139.11214	0.5
143.03374	1.6
149.09592	0.6
149.94490	0.5
161.04460	2.6
165.03893	0.4
167.10658	1.1
171.30891	0.4
177.12726	1.0
179.05539	3.4
179.10690	0.9
179.14380	0.7
195.13818	7.4
209.11707	1.4
221.06596	1.3
223.13387	3.4
225.14836	0.5
228.13599	0.4
229.54152	0.4
235.08124	2.2
249.22229	0.7
253.04774	0.4
253.09267	0.7
256.13220	0.9
266.84842	0.4
275.20154	3.0
277.21625	2.3
287.07788	0.5
291.19672	10.8
293.21207	100.0
294.21497	7.1
295.22766	17.6
296.23065	1.2
305.08902	0.7
309.20633	2.8
323.09598	0.7
362.05161	0.4
379.12473	1.2
397.13425	21.2
398.13766	1.3
415.14496	9.8
416.15128	0.6
609.60077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43002	4.0
69.43419	6.5
71.01243	3.6
71.87817	1.3
72.99191	2.0
73.02094	1.2
83.01250	1.7
85.02822	2.2
93.03340	3.3
96.95924	2.0
102.78249	1.4
107.01274	5.0
109.02837	5.3
111.00770	1.6
121.02815	7.0
125.02348	3.7
133.02847	2.1
137.02347	2.8
139.03891	4.2
148.01550	1.7
149.02348	4.8
151.00287	17.6
159.04410	1.7
161.02333	8.9
165.01859	4.4
169.01410	2.2
169.02863	1.2
174.03157	3.0
175.03908	5.4
178.99799	6.4
179.40086	1.6
183.04402	2.7
187.03885	3.1
189.01865	2.1
193.01353	17.7
199.03908	3.1
200.04651	5.0
201.05501	5.2
211.04015	3.0
213.01852	1.6
227.03452	6.0
243.03026	2.1
251.03407	2.0
255.02995	3.3
267.03055	1.7
267.99988	2.4
269.00943	4.8
271.02481	3.9
279.02853	2.6
287.01675	1.9
291.46979	1.5
294.98770	9.2
300.02695	2.3
301.00235	2.1
301.03497	56.3
302.03879	4.5
309.00562	1.9
309.03897	1.4
315.04971	2.2
323.07352	1.9
327.06668	1.6
331.05807	1.7
335.06958	1.7
343.06155	2.6
345.04062	15.4
346.04129	2.0
351.06458	4.8
352.07001	2.0
355.06085	2.0
357.03983	4.2
361.04541	1.9
363.06702	2.2
365.04230	1.8
366.05365	2.5
367.05908	6.1
368.06738	1.8
369.04489	13.4
370.04840	2.6
371.05618	2.8
378.05408	2.1
379.06161	5.4
380.06949	4.9
381.07520	1.8
382.04550	2.0
383.05295	2.3
390.04453	2.3
391.06104	3.6
394.04688	2.7
395.00336	1.6
395.05405	4.1
406.04892	2.0
407.05542	5.5
408.06107	3.2
409.07126	3.1
419.05615	4.9
420.06192	1.8
423.05154	6.7
424.05923	4.3
425.06671	5.4
435.05035	8.3
436.05560	6.5
437.06622	3.2
440.05173	1.4
445.01956	7.4
451.04688	9.4
452.05353	47.1
453.06140	25.2
454.06744	9.4
463.04160	2.4
464.05154	4.4
465.06274	3.3
475.04492	1.6
477.05841	2.8
477.10754	4.9
478.02863	6.6
479.04230	19.4
480.04669	7.5
481.05637	18.0
482.06241	7.8
491.04077	1.9
492.04929	4.9
493.05652	6.5
507.03149	2.0
509.05008	10.6
510.06030	2.5
556.08209	1.9
585.07770	4.0
600.06708	1.9
603.08655	1.6
623.58124	1.4
628.06299	10.7
629.07208	56.7
630.07568	9.5
641.07697	3.5
646.07690	20.2
647.08264	73.9
648.08801	9.0
659.08002	2.4
671.09198	2.0
791.12079	3.3
805.10492	16.7
809.13623	14.6
810.13348	2.2
817.11481	2.3
822.10651	26.0
823.11499	100.0
824.11646	16.7
865.12183	5.4
985.16888	19.7
986.17145	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	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03296	1.6
71.01253	16.0
71.51517	0.6
72.92434	0.4
72.99140	1.4
73.02827	2.6
78.95775	0.4
80.96388	0.5
81.03319	0.5
83.01270	1.7
83.04868	1.0
85.02365	0.3
85.02824	4.0
85.88551	0.3
87.00740	3.2
89.01759	0.7
89.02314	12.5
91.03810	0.4
93.03291	0.5
95.01234	1.5
95.04887	1.2
96.95875	5.2
97.02835	4.0
97.06456	0.8
99.00732	1.2
101.02322	12.1
109.02793	0.4
109.06482	1.0
111.00777	0.4
111.04389	0.7
111.07304	0.5
111.08040	7.5
113.02320	6.3
119.03391	3.3
123.04398	0.7
125.02326	5.3
125.09584	0.6
127.07500	1.4
131.03387	0.6
137.02335	0.5
137.09543	0.9
139.03870	0.4
141.09062	0.6
143.03423	2.3
149.04387	0.5
149.70238	0.4
151.11057	0.5
153.12721	1.0
161.04456	3.5
163.11255	0.8
165.12726	1.4
167.10660	0.6
169.12254	3.1
171.10237	2.3
177.12730	0.6
179.05534	4.1
179.10733	0.6
179.14272	1.3
181.12267	1.9
183.13789	1.3
192.16637	0.3
193.12268	1.1
195.13846	10.4
196.14314	0.5
197.11760	30.6
198.12029	1.3
199.13324	2.1
205.12274	0.6
209.11710	0.9
211.13338	7.2
221.06567	1.6
221.11842	0.5
221.15392	0.9
223.13339	7.3
225.14912	0.8
227.12846	1.8
228.13594	0.9
229.19571	0.4
229.34982	0.4
235.08162	3.4
247.20663	1.3
253.09242	1.0
256.13095	0.7
263.07788	0.5
263.20120	2.3
265.18127	0.8
273.18567	1.3
275.20142	4.4
276.20279	0.6
287.07806	1.1
291.19678	20.7
292.19986	1.5
293.21216	100.0
294.21561	6.2
295.22690	0.5
300.99792	0.9
305.08862	1.5
309.20706	99.5
310.21075	7.1
317.21222	0.6
323.09912	1.0
327.21619	0.4
379.12540	1.4
397.13501	31.2
398.13773	1.9
415.14554	20.7
416.15009	1.3
471.34955	0.9
585.41681	2.8
586.42059	0.6
654.27466	0.4
673.34668	0.6
689.34131	2.3
690.35077	0.4
691.35907	2.1
707.34644	4.0
708.35449	0.7
733.88385	0.4
983.55682	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	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	1.4
70.82968	1.0
71.01252	15.0
72.99180	1.3
73.02822	2.3
81.03333	0.6
83.01263	1.5
83.04890	0.7
84.02049	0.5
85.02816	4.1
87.00749	3.9
89.01757	0.7
89.02312	14.4
95.01251	1.1
95.04954	0.5
96.95881	0.6
97.02825	1.9
97.06468	0.7
99.00768	1.1
101.02320	10.3
102.03592	0.5
109.02794	0.4
109.06480	0.7
111.04414	0.5
111.08044	8.3
113.02332	6.2
119.03380	3.2
123.08000	0.5
125.02321	4.2
127.07536	0.9
131.03426	0.6
135.53589	0.4
137.09641	0.4
139.03909	0.8
141.01768	0.6
143.03394	1.7
149.04434	0.5
151.11208	0.6
153.12762	0.8
161.04466	2.7
163.27289	0.4
167.10750	0.8
169.12262	3.9
171.10207	0.4
177.12767	0.7
179.05524	5.3
179.10701	0.7
179.14384	1.0
181.12250	1.7
183.13724	0.5
185.04414	0.5
193.12184	0.4
195.13831	7.1
196.14409	0.6
197.11755	45.7
198.12096	1.5
199.13379	2.5
205.12230	0.6
205.15907	0.7
211.13344	7.4
212.13698	0.6
217.07202	0.4
220.42090	0.4
221.06628	1.6
223.13335	6.3
224.13849	0.4
227.12820	0.7
228.13455	0.5
231.21153	0.6
235.08183	4.0
247.20601	0.6
253.09317	1.0
256.13168	1.2
263.07901	0.4
263.20142	3.4
265.18094	0.8
265.21768	0.6
273.18640	1.3
275.20084	4.5
287.07718	1.1
289.18066	0.6
290.18457	0.5
291.19638	15.0
292.19989	1.1
293.21210	100.0
294.21591	7.9
305.08795	1.0
307.18997	1.1
309.20694	96.8
310.21027	5.8
323.09781	1.0
333.20657	0.6
379.12354	1.4
397.13480	30.8
398.13715	2.3
415.14563	23.2
416.14883	1.1
471.34796	0.5
472.35040	0.4
585.41656	3.4
654.27789	0.5
673.34430	0.7
689.33350	1.7
691.35486	3.1
707.34882	4.3
708.35925	0.5
983.55511	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	983.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
71.01250	13.6
71.49074	0.8
72.99174	0.8
73.02811	1.6
74.41023	0.4
78.95779	0.7
81.03345	0.7
81.66384	0.5
83.01261	0.9
85.02824	3.2
87.00742	3.3
89.02314	9.2
95.01261	1.2
96.95901	2.7
97.02818	2.7
97.06496	0.7
99.04414	0.6
101.02324	10.2
107.74899	0.6
111.04373	0.6
111.08007	0.8
113.02312	5.7
119.03365	2.4
119.10957	0.4
121.10110	1.7
121.22417	0.4
123.08074	0.4
125.02334	4.4
125.09613	2.3
131.03394	0.5
139.03938	0.6
141.01768	0.5
143.03391	1.8
152.87396	0.4
153.09140	0.5
157.83946	0.5
160.77829	0.4
161.04501	2.5
167.10655	0.6
167.14325	0.6
171.10190	4.1
177.16551	0.5
179.05540	4.1
185.11720	2.4
195.13843	6.5
196.14178	0.9
197.11751	1.1
205.12300	0.6
209.11783	0.9
211.13324	33.1
212.13609	1.5
217.06952	0.5
221.06570	1.9
221.39977	0.5
223.13335	5.1
225.14896	0.6
228.11708	0.5
228.13828	0.6
233.15514	0.5
235.08214	3.5
237.75237	0.4
253.09276	1.7
256.13144	1.0
273.18811	0.6
275.20135	5.1
287.07700	1.4
290.18576	0.5
291.19659	31.1
292.19949	2.2
293.21210	100.0
294.21564	7.6
295.22681	0.6
300.99774	0.5
305.08768	1.5
309.20721	9.6
323.09790	1.1
353.22723	0.5
379.12402	4.3
379.28265	0.8
397.13495	29.2
398.13766	1.5
415.14590	12.6
416.15112	0.8
469.33121	1.8
487.34262	0.6
585.41443	0.8
591.26495	0.8
609.27545	2.1
610.28314	0.7
671.32947	1.0
673.34247	3.3
689.33752	2.7
691.35242	4.8
965.54919	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	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	0.4
69.03324	1.5
70.51922	0.4
70.52301	0.5
71.01251	18.1
71.04881	0.4
72.99181	1.7
73.02814	2.2
75.00732	0.5
81.03325	0.9
83.01260	1.8
83.04905	0.6
85.02819	4.3
85.03296	0.3
87.00744	4.1
89.02312	15.8
93.03333	0.5
95.01254	1.7
95.04897	0.9
96.95918	0.4
97.02809	2.1
97.06496	0.4
99.00737	1.3
99.04379	0.3
101.02317	13.2
102.02676	0.3
103.03854	0.3
109.02824	0.4
109.06480	0.5
111.00740	0.4
111.04376	0.5
111.08035	7.0
112.08347	0.3
113.02324	8.1
113.09602	0.7
115.03883	0.3
116.92792	0.3
119.02580	0.4
119.03384	4.2
119.04764	0.3
121.02801	0.2
121.10101	0.3
123.00851	0.3
125.02328	4.4
125.09618	0.3
127.03871	0.3
127.07532	0.2
129.01683	0.2
131.03397	0.8
135.11658	0.4
137.09593	0.9
139.03928	0.4
139.11157	0.2
141.01869	0.6
143.03397	2.7
149.04436	0.8
149.09607	0.5
161.04439	2.9
167.10677	1.7
171.10176	0.8
177.09039	0.3
177.12779	1.5
178.70622	0.3
179.05548	4.5
179.10715	1.4
179.14270	1.1
181.12218	0.3
193.12265	0.3
195.13835	12.6
196.14294	1.1
197.11800	0.6
205.12270	0.7
205.15945	0.4
209.11771	0.9
211.13280	0.7
217.07118	0.4
221.06564	1.8
223.13313	6.3
224.13702	0.5
225.14874	0.7
228.13644	0.6
231.21085	0.4
235.08179	3.9
237.14943	0.3
247.20653	1.4
249.22226	0.3
253.09253	0.8
256.13120	1.1
263.07742	0.5
265.21716	0.6
273.18549	0.8
275.20132	5.5
276.20374	0.4
277.09314	0.3
277.21658	1.1
280.29953	0.2
287.07706	0.7
289.18130	0.5
291.12936	0.6
291.19647	76.6
292.19977	6.6
293.21201	100.0
294.21545	7.7
295.22757	1.0
305.08701	1.1
307.19235	1.3
309.20718	0.8
317.21268	0.5
323.09631	0.5
325.20245	0.8
333.20792	0.5
379.12457	1.3
397.13455	26.1
398.13791	2.3
415.14560	14.2
416.14877	1.2
578.85901	0.3
689.33423	1.2
690.33240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	0.4
69.03313	1.3
69.44039	3.3
71.01252	15.9
71.04876	0.8
72.99158	1.8
73.02814	2.4
75.00734	0.7
78.95760	0.7
81.03323	1.9
83.01241	1.9
83.04887	1.1
85.02821	4.1
87.00755	4.4
89.02316	13.4
93.03343	0.7
95.01240	1.8
95.04901	1.8
96.95884	1.3
97.02833	3.0
97.06477	2.1
99.00745	1.6
101.02322	11.2
104.32307	0.4
109.06473	1.3
111.08040	0.7
113.02325	7.6
113.05910	0.5
113.09555	0.6
116.92737	5.0
117.92736	1.8
118.92540	0.9
119.03395	3.7
123.04396	1.8
123.08037	1.0
125.02341	5.1
125.09591	2.8
131.03383	0.7
133.10089	0.5
135.08028	1.4
137.05925	0.5
137.09627	1.1
139.03873	0.4
141.01721	0.7
143.03377	2.6
149.05933	0.6
161.04449	2.5
161.09615	0.7
163.07555	0.6
163.11165	3.7
165.09076	1.0
165.12750	0.7
167.10622	0.7
171.10162	0.8
179.05547	4.7
179.14369	0.6
181.12277	0.9
185.11754	3.3
189.12746	0.7
191.14322	4.4
193.12167	0.5
195.13823	8.3
197.11879	0.8
205.12163	0.8
205.15823	0.7
207.10155	1.6
209.11772	9.2
211.13318	2.5
217.07024	0.6
221.06648	1.5
223.13326	5.9
225.11299	1.5
225.15025	0.6
227.12907	0.7
228.13570	0.7
235.08165	4.1
237.11343	2.3
243.17351	0.9
245.06577	0.6
245.19070	9.6
253.09282	1.2
256.13147	0.9
263.07800	0.8
263.20233	2.9
265.21588	0.5
271.16891	0.8
275.20123	4.7
277.21704	1.1
281.21350	0.8
287.07596	0.7
287.16443	3.3
289.18091	44.4
290.18320	2.9
291.19815	2.2
293.21213	100.0
294.21521	6.9
295.22760	8.7
296.22919	0.8
305.08777	0.8
305.17578	6.8
307.19138	43.6
308.19547	3.8
309.20642	1.3
323.09833	0.9
325.20056	0.6
330.16309	0.5
379.12485	1.9
397.13470	34.6
398.13852	2.2
415.14508	16.0
416.15100	0.7
583.40198	0.6
607.26080	0.9
687.32208	2.1
691.35321	0.8
705.33246	3.1
843.39990	0.6
883.47412	0.8
912.48840	0.5
981.54889	4.4
982.54517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.9
71.01249	12.9
71.04881	1.4
72.99169	1.2
73.02827	2.0
73.17436	0.2
75.00735	0.3
80.02546	0.7
81.03310	1.4
82.95265	0.4
83.01250	1.5
83.04885	1.0
85.02819	3.0
87.00739	3.2
89.01758	0.6
89.02313	12.4
93.03333	0.3
95.01257	1.2
95.04908	1.3
97.02853	1.9
97.06424	0.6
98.03579	0.4
99.00740	0.4
99.04384	0.3
101.02321	11.0
106.04111	0.5
107.04905	0.4
109.02847	0.6
109.06477	7.1
111.04403	2.7
111.08024	1.1
113.02337	5.9
119.03383	3.2
121.02792	0.3
121.06503	0.3
123.08036	1.1
125.02352	4.0
127.07536	0.8
131.03387	0.5
135.08026	0.4
137.09607	0.3
141.01845	0.6
141.09183	0.4
143.03369	1.5
143.10681	0.8
145.06500	1.3
147.07982	0.3
149.06079	0.3
149.09616	0.8
151.11151	0.8
161.04448	2.5
161.09567	0.3
162.36720	0.2
167.10712	1.3
169.01379	0.3
169.91083	0.3
171.10210	0.3
177.09149	0.3
177.12685	0.7
179.05522	3.7
179.10709	0.9
179.14215	0.5
181.12363	0.6
185.04518	0.3
191.14340	0.6
195.13829	7.5
196.14346	0.5
199.06073	0.3
201.11160	0.3
205.12289	0.6
205.15839	0.4
209.11774	0.5
211.13316	0.5
221.06619	1.6
223.13354	4.8
224.13850	0.5
224.33122	0.3
225.14903	0.6
228.13522	0.5
235.08153	3.9
235.13348	0.6
245.19104	3.5
251.16519	0.5
253.09253	0.9
256.13092	1.0
261.18448	0.5
263.07703	0.5
265.21591	0.5
271.16956	1.3
273.14850	0.7
275.20175	4.5
287.07742	0.9
287.16400	1.7
289.18082	86.5
290.18442	6.0
291.19543	0.6
293.21210	100.0
294.21561	7.3
305.08777	1.1
307.19125	5.7
309.20715	0.8
323.09750	1.0
331.19040	0.4
379.12390	2.6
397.13480	35.2
398.13840	2.3
415.14545	14.9
416.14828	0.9
565.37793	0.6
607.92242	0.3
654.27332	0.4
669.31555	1.5
673.34717	0.7
687.32501	3.9
688.32404	0.7
691.35345	1.7
964.51831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21775	2.2
71.01244	0.3
73.59415	0.2
74.87660	0.2
93.03343	0.4
95.01291	0.2
97.02833	0.6
108.02061	0.5
109.02844	2.0
121.02813	1.9
125.02311	0.6
132.02020	0.2
133.02856	5.4
135.04396	1.2
149.02274	0.4
149.99503	0.3
151.00259	0.5
152.08588	0.2
161.02347	14.4
162.02713	0.5
163.00259	0.5
164.04831	0.2
165.01840	7.1
166.02148	0.4
175.03902	0.4
179.03354	0.6
187.03871	0.4
191.03508	0.2
191.05727	0.2
193.01376	1.5
193.05002	0.2
199.03838	1.1
201.01877	0.4
203.03366	0.4
215.03429	0.8
226.02657	0.6
227.03529	1.7
228.04208	0.3
229.01387	0.4
242.02184	0.4
243.02971	3.1
244.03500	0.4
254.02190	1.4
255.02928	1.4
256.03671	0.4
257.04153	0.3
259.06128	0.4
269.04578	1.1
270.01758	0.5
270.04684	0.3
271.02466	33.9
272.02893	2.2
285.03952	1.4
287.05643	0.8
297.04041	0.4
299.01956	51.6
300.02576	8.2
301.03128	0.4
314.04309	64.7
315.05066	42.9
316.05392	2.7
369.38596	0.2
445.11276	0.3
447.09302	100.0
448.09634	7.8
449.09207	0.2
533.23810	12.3
534.24023	1.5
953.30798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07391	97.2
85.70975	18.5
91.37105	19.0
98.20519	19.9
146.19908	18.2
209.11885	22.7
300.99768	21.7
346.33099	20.5
397.13342	23.0
405.87933	17.9
487.34167	94.4
488.34494	74.6
489.35068	81.7
490.35629	100.0
491.35727	38.8
548.66473	24.0
757.42188	19.9
980.51349	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	980.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80447	22.3
70.08652	75.3
71.01268	48.0
71.73624	22.1
78.71552	20.1
89.02323	27.4
99.91154	26.1
121.02827	34.5
125.02311	56.0
171.10027	24.1
178.27975	21.8
180.92029	22.0
209.04485	34.7
209.11751	100.0
210.11981	26.4
210.82710	23.3
293.21167	60.7
300.99918	54.4
309.20764	26.5
397.13626	37.1
547.56836	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	981.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86942	0.4
71.01270	0.7
71.51353	0.7
76.31087	0.4
83.52495	0.4
87.00739	0.5
97.02841	0.8
101.02256	0.4
108.14987	0.4
109.02823	2.3
121.02833	3.9
122.03191	0.5
125.02332	1.2
137.02438	0.4
151.00291	0.6
153.36937	0.4
161.02361	0.7
163.00243	0.7
163.03928	0.5
165.00502	0.7
165.01849	10.2
169.01410	0.5
174.03073	0.7
175.03899	1.5
177.01788	0.6
179.03468	0.5
189.01805	0.6
191.05533	0.8
193.01355	2.3
194.07039	0.4
199.04002	0.9
226.02650	1.2
227.03418	1.7
243.02892	3.0
254.02147	1.5
255.02856	1.4
256.03873	0.7
269.04605	1.4
271.02454	29.1
272.02750	2.6
285.03699	0.6
286.04745	0.6
287.05432	0.9
297.03976	1.0
299.01941	37.2
299.99066	0.9
300.02521	10.4
300.99841	1.1
301.03079	0.7
313.07028	0.5
314.04300	47.0
315.05045	40.8
316.05396	3.3
402.09177	0.6
409.09277	0.5
449.10175	0.8
461.10867	100.0
462.11200	10.3
463.11319	0.5
473.27100	0.5
487.03073	0.9
495.81650	0.5
518.13123	0.7
519.05859	1.1
519.31628	0.5
525.06555	0.5
769.94458	0.5
819.50787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95767	90.6
71.01266	25.5
75.00748	30.5
75.31390	22.3
78.95789	39.1
88.98665	40.6
96.35692	24.6
96.95916	47.6
125.02316	38.7
137.02296	26.8
161.02431	26.4
171.10193	31.9
174.94394	21.7
175.03972	22.4
191.05443	37.5
202.69923	25.4
207.10178	27.5
209.11812	68.8
222.95554	22.4
275.01971	28.3
278.20325	25.0
293.21252	26.0
300.99860	100.0
474.32846	27.0
558.65594	25.3
722.84827	24.6
773.37708	27.7
823.90454	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	980.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33934	100.0
71.01248	23.2
78.95777	14.1
98.20599	29.8
101.02320	15.5
103.61756	12.3
105.53449	14.4
125.02345	36.5
127.46748	12.0
137.02257	19.0
149.02275	13.4
149.56241	13.7
151.03870	20.3
169.01289	17.2
175.03847	14.7
184.14293	12.3
189.01761	23.3
191.05627	16.9
209.11842	81.4
210.12082	32.7
223.13330	20.6
275.01935	17.1
300.99780	46.0
309.20493	28.9
853.32428	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	977.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	0.7
71.01263	0.5
71.04874	0.2
75.53938	0.1
80.02549	0.2
81.03322	0.4
83.01261	0.6
83.04894	0.7
84.02033	0.3
85.02822	2.8
93.03351	0.2
95.01270	0.2
95.04881	0.7
97.02839	0.6
97.05878	0.2
97.06470	2.7
99.04396	0.2
99.08015	0.1
104.76640	0.1
107.04901	0.2
109.02846	0.4
109.06477	0.2
110.03639	0.3
111.04403	0.2
111.08069	0.1
121.02816	0.3
123.04445	0.2
123.08080	0.2
125.02334	2.4
125.09615	0.9
127.11172	1.1
135.04404	0.1
135.08070	0.1
137.02344	2.1
137.09608	0.7
146.03667	0.8
151.03986	0.2
155.10664	0.5
155.14307	0.4
159.04404	0.3
161.02440	0.2
163.11172	0.3
164.01018	0.6
165.01839	1.5
165.12761	0.8
166.02303	0.1
167.03369	0.6
167.10641	0.2
167.14310	0.8
171.10178	7.4
172.05258	0.2
172.10516	0.2
174.03175	0.5
175.11224	0.1
177.01884	0.3
177.12787	0.7
179.03415	0.5
181.12221	0.3
183.13828	2.7
184.14159	0.2
185.06139	0.2
185.11761	0.8
187.03860	0.2
188.04787	0.3
189.01820	0.1
193.12250	1.3
195.13817	0.2
197.11766	0.4
199.13322	0.3
201.05522	0.2
201.14870	0.1
203.10754	0.3
204.04369	0.2
209.06047	0.1
209.11772	2.4
210.11992	0.2
211.03793	0.2
211.13339	17.2
212.04709	0.2
212.13622	0.8
213.05530	0.2
221.11777	2.8
222.12282	0.2
225.05478	0.2
227.12839	0.3
229.14409	12.0
229.44470	0.2
230.14699	0.6
239.12859	1.8
240.13150	0.2
247.20627	0.3
271.13397	1.1
283.13342	0.1
289.14551	0.3
291.19650	2.9
292.19952	0.3
297.15125	0.1
299.12924	0.3
300.99844	0.2
309.20789	0.6
313.14404	0.4
325.14404	0.3
327.21756	100.0
328.22095	6.9
337.14435	0.3
343.15356	0.2
353.17612	0.1
371.51901	0.1
375.35254	0.1
377.17581	0.2
391.05145	0.1
413.99417	0.2
419.18622	0.4
436.57584	0.1
437.19846	0.3
487.34213	0.2
567.24164	0.2
777.37677	0.3
789.36847	0.4
801.36035	0.2
807.38477	0.3
883.41284	0.3
927.40155	2.1
928.40192	0.6
945.41034	1.5
946.41931	0.4
959.42694	0.3
977.44427	0.9
978.44806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.3
70.05970	2.5
71.01253	12.5
71.01712	0.6
72.99161	1.3
73.02812	1.8
81.03291	0.6
83.01256	1.9
83.04902	0.8
84.02025	1.6
85.02820	3.4
87.00764	2.6
89.02322	10.5
91.75940	0.6
94.59411	0.6
95.01249	1.2
97.02829	2.5
97.06454	5.6
97.36121	0.5
99.04374	0.9
101.01704	1.0
101.02326	9.9
113.02323	5.9
113.33678	0.5
119.03385	3.1
125.02308	3.2
125.09608	0.9
128.45743	0.5
131.03423	0.8
137.09634	0.7
143.03406	2.2
161.04460	1.7
171.10178	8.8
179.05534	1.9
193.12286	6.0
211.13350	2.1
221.06657	1.0
225.14917	10.2
226.15218	0.7
235.08192	3.6
243.15932	5.9
253.14394	0.8
255.23273	32.5
256.23660	2.9
287.07800	1.0
291.19672	0.8
305.08780	1.1
323.09842	0.7
323.22409	1.0
341.23312	100.0
342.23660	7.8
379.12369	1.5
397.13504	37.9
398.13901	1.7
415.14548	8.2
579.46252	1.8
653.37750	4.6
721.36664	3.6
739.37836	2.1
740.37854	0.6
836.48260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	11.0
71.50852	3.1
72.99171	1.8
73.02809	2.2
78.95776	3.7
79.95600	2.9
81.03313	2.7
83.01237	2.3
83.04901	3.8
85.02806	4.0
87.00743	3.3
89.02299	10.5
95.01250	2.1
96.95867	3.1
97.02825	4.5
99.00726	2.0
101.02315	7.7
111.08043	4.2
113.02331	4.6
116.92747	2.0
119.03436	2.0
121.02822	1.8
125.02320	11.1
128.23944	1.7
133.01306	2.4
135.02794	2.1
137.02364	3.5
161.02380	3.8
161.04401	3.9
163.11125	4.8
165.12718	4.0
169.01286	2.4
169.12198	1.9
171.10178	3.2
175.03871	3.1
179.05466	2.9
189.01849	5.6
191.05470	2.2
195.13535	1.8
197.11710	15.3
209.11755	100.0
210.12041	6.3
211.13335	8.6
227.12845	11.8
235.08157	3.8
247.20746	2.9
253.09312	4.0
267.66440	1.7
275.01782	2.6
283.05850	2.2
291.19638	20.5
300.99741	7.2
309.20682	62.9
310.20981	4.6
379.12222	2.4
397.13501	26.8
415.14456	10.5
445.20694	2.0
517.31702	8.4
977.41541	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	977.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	1.6
71.50787	0.8
72.99163	0.6
75.00754	1.1
81.03371	0.5
83.04881	0.7
83.15948	0.5
85.54622	0.5
87.00765	0.6
88.98683	0.6
89.02316	0.6
97.02836	0.6
99.08031	0.6
101.02345	1.1
109.02837	0.6
111.08009	0.6
113.02310	0.5
117.33941	0.5
121.02820	1.0
121.10149	0.5
123.04391	2.8
125.02383	2.7
128.63905	0.7
133.02826	4.3
133.99962	0.5
135.04437	1.7
137.02341	0.9
151.03906	0.7
156.02037	2.2
156.96370	0.5
161.02328	1.1
161.05994	1.5
163.03935	0.6
164.98134	0.6
165.12770	0.6
171.10172	3.5
174.03145	0.8
175.03893	1.1
181.12144	0.6
182.03696	1.0
186.03142	1.2
189.01816	0.8
193.01430	0.6
193.12366	0.6
197.11784	3.9
198.03265	0.6
203.03485	0.6
205.49597	0.5
209.11765	19.7
210.12111	0.7
211.13348	1.2
214.02531	0.7
225.14886	1.7
226.02571	3.4
227.12910	2.6
235.08163	0.8
242.02165	2.2
243.15979	1.0
253.09261	2.0
254.02168	1.8
269.00681	0.6
269.04456	0.5
270.01678	17.8
271.02094	0.7
273.18643	0.6
285.04077	4.8
286.74057	0.5
290.85623	0.5
291.19681	3.3
298.01154	23.4
299.01514	1.7
300.99881	2.2
309.20700	8.0
313.03531	50.1
314.03928	2.7
328.05859	52.7
329.06152	3.4
337.26529	0.5
341.14038	1.3
343.08203	100.0
343.15417	7.9
343.24805	18.0
343.63113	0.5
344.08551	6.9
346.05011	0.6
369.26309	1.6
397.13571	1.1
445.20822	0.7
471.34491	0.9
506.86029	0.5
517.31616	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	975.6933
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70426	0.1
70.00465	0.6
78.95759	0.3
88.98679	0.5
96.46838	0.1
96.95891	0.2
107.04972	0.2
111.86742	0.1
116.92729	0.4
215.14349	1.5
235.00505	0.1
257.19107	0.4
300.99780	0.2
368.74203	0.1
379.30051	2.6
380.30698	0.3
395.33487	0.9
396.33572	0.2
409.31018	1.7
410.31390	0.2
423.32932	0.2
425.34424	2.8
426.34634	0.4
441.33554	0.3
444.36258	0.2
469.33163	0.8
469.88721	0.1
471.34827	1.4
472.35123	0.2
485.32657	0.5
486.33075	0.8
487.34268	100.0
488.34625	12.2
729.63281	0.2
960.02698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	1.6
71.50787	0.8
72.99163	0.6
75.00754	1.1
81.03371	0.5
83.04881	0.7
83.15948	0.5
85.54622	0.5
87.00765	0.6
88.98683	0.6
89.02316	0.6
97.02836	0.6
99.08031	0.6
101.02345	1.1
109.02837	0.6
111.08009	0.6
113.02310	0.5
117.33941	0.5
121.02820	1.0
121.10149	0.5
123.04391	2.8
125.02383	2.7
128.63905	0.7
133.02826	4.3
133.99962	0.5
135.04437	1.7
137.02341	0.9
151.03906	0.7
156.02037	2.2
156.96370	0.5
161.02328	1.1
161.05994	1.5
163.03935	0.6
164.98134	0.6
165.12770	0.6
171.10172	3.5
174.03145	0.8
175.03893	1.1
181.12144	0.6
182.03696	1.0
186.03142	1.2
189.01816	0.8
193.01430	0.6
193.12366	0.6
197.11784	3.9
198.03265	0.6
203.03485	0.6
205.49597	0.5
209.11765	19.7
210.12111	0.7
211.13348	1.2
214.02531	0.7
225.14886	1.7
226.02571	3.4
227.12910	2.6
235.08163	0.8
242.02165	2.2
243.15979	1.0
253.09261	2.0
254.02168	1.8
269.00681	0.6
269.04456	0.5
270.01678	17.8
271.02094	0.7
273.18643	0.6
285.04077	4.8
286.74057	0.5
290.85623	0.5
291.19681	3.3
298.01154	23.4
299.01514	1.7
300.99881	2.2
309.20700	8.0
313.03531	50.1
314.03928	2.7
328.05859	52.7
329.06152	3.4
337.26529	0.5
341.14038	1.3
343.08203	100.0
343.15417	7.9
343.24805	18.0
343.63113	0.5
344.08551	6.9
346.05011	0.6
369.26309	1.6
397.13571	1.1
445.20822	0.7
471.34491	0.9
506.86029	0.5
517.31616	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	975.6922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01225	0.1
71.22028	0.2
72.99175	0.1
85.02872	0.1
88.58571	0.1
88.98665	0.2
96.95889	0.3
98.08780	0.1
99.92435	0.1
102.33426	0.1
103.15498	0.1
105.27485	0.1
116.92744	1.1
117.92767	0.4
118.92559	0.2
145.09740	0.1
163.71945	0.1
209.11736	0.2
300.99966	0.2
439.32639	0.1
441.33344	0.1
469.33145	1.0
470.33344	0.2
485.32724	1.1
486.33017	1.8
487.34244	100.0
488.34592	13.3
489.35104	1.0
882.11816	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	973.6756
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46835	0.1
71.01239	0.2
71.04886	0.6
71.49877	0.1
72.99167	0.2
78.95779	0.2
89.02317	0.1
99.92440	0.2
116.92734	2.1
117.01785	0.1
117.92720	0.1
125.02274	0.1
126.68491	0.1
137.02348	0.1
181.05081	0.1
209.11795	0.3
211.13300	0.1
223.13293	0.1
291.19708	0.1
293.21243	0.3
300.99908	0.1
340.13165	0.9
341.13513	0.1
355.15466	2.0
356.15811	0.3
373.29099	0.2
391.30075	1.1
392.30344	0.4
393.30966	0.2
397.13409	0.1
423.32800	0.4
439.32425	0.1
441.33493	0.1
455.31650	0.4
456.31830	0.2
469.33206	2.7
470.33575	0.3
485.32690	70.4
486.33038	32.9
487.34100	100.0
488.34518	13.1
489.35565	2.3
490.36026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.3
71.01252	5.3
71.29271	0.3
72.99178	0.5
73.02811	0.7
75.00748	3.0
80.96383	0.3
83.01266	0.5
83.04907	0.2
84.30851	0.2
85.02837	1.2
87.00765	1.2
88.98669	0.4
89.02316	4.3
95.01246	0.4
97.02827	0.8
97.06436	0.3
99.00756	0.3
100.68050	0.2
101.02329	4.2
111.04441	0.2
113.02322	2.4
113.09592	1.3
119.03398	1.3
125.02316	1.8
131.03433	0.2
143.03391	0.6
145.05061	0.2
161.04457	1.0
170.56485	0.2
177.12762	0.3
179.05540	1.5
179.14255	0.8
181.12276	0.3
195.13838	12.6
196.14249	0.4
209.11743	0.8
221.06586	0.7
235.08199	1.3
240.87106	0.2
249.14908	0.2
251.23627	0.2
253.09116	0.4
255.23277	0.4
259.20532	0.2
277.21716	11.7
278.22028	0.9
287.07758	0.5
295.22769	100.0
296.23111	6.4
305.08786	0.5
319.22821	0.2
323.09784	0.6
379.12466	1.0
397.13510	13.3
398.13840	0.9
405.62289	0.2
415.14566	8.5
416.14929	0.5
573.45093	2.3
574.45563	0.4
675.35657	0.9
693.36920	2.6
694.37915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28465	10.5
71.01244	2.6
79.88793	1.2
85.02837	1.6
85.55383	1.3
89.95012	1.2
93.03330	4.2
109.02831	3.8
114.02718	1.4
121.02847	5.1
121.08557	1.3
125.02299	2.1
134.03612	3.0
135.04445	1.5
137.02338	4.6
139.03920	2.0
145.02815	1.3
148.01564	6.8
149.02278	4.1
149.99486	1.4
150.03107	5.3
151.00285	2.5
161.02348	5.6
162.03033	2.7
163.03920	1.9
165.01817	7.9
165.05476	2.8
173.04459	2.5
174.03185	2.2
175.02550	1.4
175.03801	7.0
176.04445	1.7
187.03905	1.7
189.01822	1.5
191.03407	1.7
191.05528	4.3
193.01402	1.7
195.06548	2.8
199.03908	2.8
200.04732	6.4
201.05400	2.2
209.11746	1.8
211.04044	1.8
227.03448	4.5
242.02115	2.0
243.02919	3.0
254.02089	1.4
255.02728	2.1
267.02881	1.7
268.00031	2.9
269.00754	3.1
271.02521	8.7
275.09268	4.3
282.01642	1.6
287.01938	3.1
294.98856	3.3
295.02151	1.3
300.02649	11.1
301.00125	2.1
301.03110	7.1
305.04385	2.0
311.07578	1.6
315.01422	3.8
315.05078	14.6
328.00439	1.8
330.03806	7.1
331.04282	2.3
338.05612	1.6
339.06381	2.6
341.04449	2.2
345.03943	3.3
346.03311	2.2
351.06543	4.0
355.06381	6.9
357.03998	4.5
359.05521	1.7
361.03918	5.1
362.05585	2.4
363.06528	1.6
366.05493	2.8
367.06018	5.1
369.04056	2.3
370.04868	3.5
378.05414	2.4
379.06210	7.0
380.06870	4.9
382.04724	2.1
383.05493	2.4
387.05304	2.2
391.05811	2.9
394.04767	2.3
395.00815	5.1
395.05563	2.4
407.05518	6.1
408.06073	3.9
409.07104	2.8
411.04959	2.2
417.02744	1.9
419.05276	2.6
423.05026	4.9
424.05762	5.1
425.06528	3.4
435.05029	8.2
436.05844	4.2
437.06940	1.7
439.04373	2.8
440.05353	1.6
441.05933	1.6
444.00574	1.7
445.02322	4.0
447.04910	1.6
449.14236	2.4
451.04443	7.0
452.05353	100.0
453.05972	24.7
454.06631	3.6
463.09259	10.1
464.04916	3.2
465.05984	2.8
467.03622	1.6
468.04306	1.6
477.10516	12.1
478.03174	14.8
478.10318	3.5
479.03903	10.9
480.04788	9.8
481.05792	10.2
482.06400	3.9
491.03732	2.4
492.04950	4.8
493.10199	3.2
497.04840	1.8
507.09189	1.6
508.04013	1.8
509.05191	3.7
584.07825	1.8
599.06104	2.1
601.07941	2.8
628.06598	4.8
629.07092	8.2
630.08319	1.4
645.06757	1.7
646.07184	4.0
647.08234	4.6
752.26526	1.4
773.23846	1.4
779.12610	4.7
790.11084	2.4
791.12628	11.2
808.12823	75.8
809.13458	96.0
810.13965	14.5
833.12939	2.3
876.49298	2.1
971.18671	32.2
972.19135	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	971.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91254	2.0
71.01264	2.8
72.99174	0.8
75.00748	0.5
83.01265	2.0
85.02795	2.4
87.00727	0.4
89.02293	0.6
93.03342	1.1
95.01259	1.9
98.20659	0.4
99.00747	0.9
103.00230	1.2
107.01283	6.1
109.02838	4.6
109.99996	0.6
111.00773	4.2
113.02332	1.9
121.02846	5.9
123.00760	1.7
123.04358	0.5
125.02316	1.0
135.00726	0.6
136.98665	1.0
137.02345	2.9
139.00264	11.2
139.03874	1.2
140.32176	0.4
143.04811	0.4
146.03716	0.5
147.00719	0.6
147.04398	0.5
148.17416	0.4
149.02322	2.5
151.00269	24.0
151.03854	0.9
152.00899	0.5
155.04848	0.4
159.04427	0.7
161.02339	1.0
163.00310	3.7
163.03955	0.4
164.01021	1.3
164.98212	0.9
165.01791	0.6
165.98993	1.5
166.98436	0.7
166.99768	9.0
167.04973	0.6
169.01363	2.1
171.04437	1.1
175.02351	0.9
175.03917	1.0
177.01840	0.8
178.99771	12.9
180.00238	0.6
183.04430	1.7
187.03929	1.1
189.01804	0.4
189.05534	0.4
190.99818	0.7
193.01508	0.9
193.03447	2.5
193.98508	0.8
194.99286	4.5
199.03943	3.3
201.01662	0.7
201.05537	1.0
203.03426	1.4
205.04953	0.4
206.99394	1.8
207.01007	0.4
208.00102	2.2
211.03931	1.8
213.01845	0.7
215.03525	0.9
217.05017	0.9
227.03438	4.3
229.05028	1.5
231.02943	1.5
243.02901	2.4
244.03506	0.7
245.04495	4.4
245.48817	0.4
255.02957	5.7
256.03577	0.5
259.02368	0.7
261.04120	0.9
270.01749	0.4
271.02457	8.7
272.03049	1.2
273.04111	2.9
283.02505	2.0
287.01920	0.7
288.02411	0.7
299.01965	12.0
299.99026	0.5
300.02432	1.1
301.03516	64.4
302.03854	6.1
315.01596	0.8
316.02188	2.7
317.02988	100.0
318.03378	6.2
363.51776	0.4
477.06726	48.3
478.07166	4.1
479.07407	0.5
492.05682	0.4
493.06216	73.3
494.06506	6.4
822.93530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99671	0.1
69.03319	0.7
69.35439	0.8
69.35855	0.3
71.01248	11.7
72.01590	0.2
72.99170	1.1
73.02819	1.7
75.00745	0.3
81.03329	0.5
83.01252	1.0
83.04903	0.4
85.02815	2.9
85.99974	0.2
87.00748	3.0
87.04366	0.1
88.98680	0.4
89.02309	9.0
93.03271	0.2
94.66364	0.1
95.01256	1.1
95.04893	0.2
96.95915	0.1
97.02816	1.6
97.06457	0.4
99.00743	0.8
99.04392	0.2
99.08002	0.1
101.02316	7.9
102.02665	0.2
109.06428	0.1
111.00787	0.3
111.04437	0.3
111.08036	0.3
113.02323	4.9
113.09595	1.6
116.92731	0.5
119.03385	2.4
123.00842	0.1
125.02334	3.0
125.09613	0.2
129.01866	0.2
131.02454	0.1
131.03389	0.6
133.04956	0.2
139.03862	0.3
141.01819	0.2
143.03394	1.4
145.04948	0.2
149.04456	0.3
161.04445	2.0
167.03392	0.2
167.10658	0.3
169.12257	0.2
170.53918	0.1
177.12753	0.6
179.05536	3.2
179.14330	1.5
181.12250	0.6
195.13824	19.7
196.14232	1.1
203.17897	0.1
205.12297	0.4
205.15816	0.3
208.18166	0.1
209.11729	0.2
211.13278	0.5
212.20958	0.1
217.07019	0.2
221.06575	1.2
223.13338	4.6
224.13846	0.4
228.13649	0.8
231.21271	0.3
233.22704	0.2
235.08182	3.0
245.06558	0.2
249.22324	0.1
251.23685	0.2
253.09265	0.8
253.11566	0.1
256.13135	0.9
256.35855	0.1
259.20715	0.2
263.07687	0.3
265.21686	0.3
275.20126	4.0
276.20490	0.3
277.21698	11.7
278.19415	0.1
278.21863	0.7
287.07718	0.8
293.21204	83.7
294.21542	6.8
294.24295	0.1
295.22748	100.0
296.23102	8.0
305.08731	1.2
306.09012	0.2
317.21164	0.4
319.22763	0.5
323.09628	0.8
341.10892	0.2
379.12463	1.6
397.13458	26.2
398.13779	1.7
415.14536	16.6
416.14716	1.0
571.43689	3.2
572.44232	0.6
614.59680	0.1
654.27734	0.2
673.34308	1.0
675.36462	0.8
676.35944	0.2
691.35211	2.1
692.36066	0.3
693.36969	2.1
694.37585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07808	12.5
71.01250	9.5
72.11861	2.5
78.95773	6.4
81.03286	3.1
83.04916	2.9
87.79691	2.9
89.02338	8.2
91.42165	2.5
92.29865	2.7
96.95876	17.3
101.02321	7.6
103.60934	2.6
113.02339	4.5
116.74879	2.6
116.92732	3.4
121.02863	3.7
125.02335	9.5
129.34930	2.8
131.59792	2.6
161.04434	4.7
169.01338	4.1
174.03094	3.5
179.05421	2.8
209.11755	69.5
210.12070	3.3
227.12839	16.3
235.08125	3.5
293.21207	100.0
294.21448	9.8
300.99884	9.4
344.02811	4.0
379.12122	5.4
397.13489	49.4
398.13358	3.2
415.14633	18.1
418.54474	3.0
459.10641	12.7
460.39307	3.1
469.33020	3.4
487.34131	7.9
518.68915	2.9
589.25012	4.6
607.25665	14.4
673.34174	6.1
691.35223	10.8
692.35126	3.0
883.46991	4.6
916.02051	4.2
969.47900	55.9
970.48584	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	969.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	1.4
83.01255	1.1
85.02806	1.4
85.37612	0.4
87.26133	0.4
93.03320	1.1
95.01270	0.6
101.02338	0.8
107.01265	2.2
108.02068	1.6
109.02821	2.5
113.02326	1.0
119.01258	1.5
120.11691	0.5
121.02836	2.6
122.03632	7.8
123.04430	2.5
125.02291	1.3
135.00746	0.6
135.04347	0.9
137.02330	0.8
139.03920	0.9
140.98438	0.5
147.00682	1.0
148.01550	2.0
149.02385	4.3
149.27077	0.5
150.03122	1.1
151.00269	11.5
151.01381	0.9
152.01003	1.0
161.02383	1.1
163.00294	3.2
163.03899	0.9
164.04654	2.1
165.01901	0.9
165.05408	0.7
167.03232	0.7
169.01381	1.3
175.00294	8.9
175.03923	0.8
176.01108	2.8
177.01895	0.6
178.99791	5.5
179.06989	1.0
187.03915	0.7
190.02640	26.9
190.99811	0.6
191.03391	5.4
203.03444	0.5
205.04996	29.0
206.05321	0.7
208.03642	1.0
209.04472	0.9
211.03984	0.9
214.85551	0.5
215.03493	0.6
223.06007	2.3
227.03464	2.6
228.04031	0.6
229.04941	0.7
239.03432	0.6
243.02945	6.1
244.03529	0.5
245.04518	1.7
254.02205	1.5
255.00259	0.8
255.02954	19.2
256.03439	1.5
271.02472	36.3
272.03003	2.6
272.06754	0.5
273.04025	1.3
283.02493	1.8
299.02069	1.2
300.02744	69.5
301.03497	60.2
302.03714	2.7
329.10007	0.5
337.09567	0.7
353.08673	0.9
367.10199	2.4
433.07730	100.0
434.08057	7.5
435.19797	0.5
469.98013	0.5
491.15561	38.1
492.15994	2.4
503.11966	1.6
534.22681	0.6
535.14575	37.2
535.21686	1.5
536.14929	4.0
587.97198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.8
71.01255	24.8
71.42130	1.2
72.99173	2.5
73.02816	4.1
81.03323	1.7
83.01271	3.5
83.04897	1.0
85.02814	5.8
87.00754	6.0
89.02319	20.5
89.54948	0.5
95.01268	1.6
97.02843	4.0
97.06497	0.7
98.20466	0.7
99.00764	1.1
99.08052	0.8
101.02325	17.0
102.02660	0.6
109.06482	0.7
111.08033	10.4
112.08405	0.6
113.02340	8.9
119.03386	4.3
125.02338	7.9
127.07508	0.9
129.01863	0.6
131.03418	1.2
139.11169	1.2
143.03377	3.5
151.11258	0.7
153.12788	1.0
161.04454	5.6
165.12758	0.7
169.12233	4.7
171.10165	2.5
172.10593	0.8
179.05540	6.3
181.12279	1.0
183.13832	1.3
193.12300	0.9
197.11769	54.5
198.12065	2.9
199.13380	3.6
209.15363	0.8
211.13339	9.9
211.15208	1.1
212.13560	0.8
217.06924	0.6
221.06529	2.7
221.11807	2.2
227.12756	1.3
229.14343	0.8
235.06055	0.9
235.08203	7.3
235.13374	0.6
239.12823	1.2
247.20596	0.6
253.09235	1.6
255.23286	4.7
256.23590	2.4
263.20166	3.5
265.18152	1.0
273.18683	1.3
277.21725	49.0
278.22101	3.3
287.07825	1.6
289.18063	0.8
291.16403	1.0
291.19662	19.3
292.19940	1.6
293.21118	1.1
305.08743	2.2
309.20703	100.0
310.21100	8.1
323.09814	0.9
329.23312	11.3
330.23709	6.7
331.23923	2.8
333.20554	0.8
379.12619	4.1
397.13501	48.1
398.13882	6.5
399.13986	1.6
415.14581	19.1
416.14771	1.8
557.04419	0.7
675.36035	0.6
687.84503	0.6
689.34161	1.6
707.34937	2.2
710.35846	0.7
990.80548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.1
68.99664	0.2
69.03328	0.5
70.51962	0.2
71.01250	7.1
72.01582	0.1
72.14969	0.1
72.99175	0.6
73.02814	1.1
75.00734	0.2
81.03320	0.3
82.77913	0.1
83.01238	0.6
83.04855	0.1
85.02819	1.7
85.06439	0.1
85.99947	0.1
87.00750	1.8
87.04351	0.1
89.02312	5.9
95.01265	0.6
95.04883	0.2
96.95868	0.2
97.02812	1.2
97.06443	0.1
98.20537	0.1
99.00757	0.4
99.04401	0.1
101.02316	5.3
102.02637	0.1
105.66102	0.1
109.02837	0.1
109.06384	0.1
111.00780	0.1
111.04379	0.2
111.08024	0.4
113.02324	2.8
113.09619	0.4
115.03899	0.1
119.03378	1.4
121.02807	0.1
121.06483	0.1
123.00781	0.1
123.04405	0.1
124.01585	0.1
125.02332	1.8
131.03363	0.3
133.04906	0.1
139.03877	0.3
141.01805	0.2
143.03380	1.0
149.04419	0.2
159.02898	0.1
161.04449	1.1
163.11223	0.1
167.03407	0.1
167.10687	0.3
171.10181	0.2
177.12761	0.3
177.16338	0.1
179.03896	0.1
179.05521	2.0
179.10663	0.2
179.14349	0.8
179.80206	0.1
181.12218	0.3
185.04384	0.1
195.13826	7.8
196.14438	0.7
197.15384	0.1
205.12248	0.6
205.15880	0.3
206.12802	0.1
211.13350	0.5
217.07031	0.1
217.38049	0.1
221.04510	0.1
221.06561	0.8
223.13342	5.5
224.13863	0.4
225.14911	0.3
228.13538	0.7
231.21069	0.4
235.08191	1.7
236.08154	0.1
239.12767	0.1
245.06662	0.1
253.09203	0.4
256.13135	1.2
257.18933	0.1
263.07587	0.2
265.21664	0.5
275.20145	4.8
276.20447	0.3
287.07855	0.5
293.21204	100.0
294.21533	6.8
305.08752	0.8
317.21054	0.4
323.09756	0.4
335.22223	0.3
341.11005	0.1
379.12344	1.0
380.12570	0.1
397.13474	14.9
398.13940	0.9
415.14554	9.8
416.14963	0.6
569.42108	1.6
570.42505	0.2
581.30060	0.1
654.27106	0.4
673.34277	1.0
691.35468	2.3
692.35706	0.3
930.49005	0.1
1001.17523	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22980	0.8
69.23271	7.4
75.73140	0.7
76.77330	0.7
78.95796	0.9
96.95877	1.2
183.34293	0.7
186.67067	0.7
220.64972	0.7
293.21405	0.8
377.28302	1.1
383.26434	0.7
393.31744	1.7
423.32602	2.3
471.34747	100.0
472.35065	14.4
512.40594	0.8
965.68433	86.3
966.68799	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	966.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36134	12.0
69.24133	100.0
71.01260	21.8
74.48689	9.3
83.04905	9.4
88.45086	9.9
96.95872	31.7
98.20586	17.7
116.92715	17.2
125.02311	24.8
128.30849	9.5
171.10202	10.5
175.03902	12.7
209.11768	48.1
209.72490	9.3
210.12103	13.5
275.01749	14.1
284.39468	11.3
291.19830	10.4
295.22864	18.4
300.99872	30.3
348.16367	10.1
471.34741	12.5
480.42340	12.4
514.83044	10.2
649.74371	11.5
966.50964	12.5
973.96631	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	965.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.3
71.01254	15.1
71.30149	1.0
72.99170	1.4
73.02818	2.5
75.00756	0.9
81.03293	0.8
83.01254	2.1
85.02821	3.9
87.00771	3.2
89.02317	12.2
95.01263	1.4
97.02827	1.7
99.00751	1.6
99.08044	3.7
101.02324	12.0
105.32365	0.5
107.74573	0.5
109.02797	0.8
111.04414	0.6
112.64211	0.5
113.02327	6.0
116.17553	0.6
119.03410	3.3
125.02328	4.6
125.09598	0.7
127.11165	1.9
134.99110	0.6
139.11206	2.9
143.03430	2.7
158.23929	0.6
161.04523	2.8
165.01688	0.5
170.25150	0.8
171.10168	10.4
179.05519	2.6
183.13841	2.7
184.90884	0.6
209.11777	1.7
211.13330	15.7
212.13716	1.1
221.06586	1.1
229.14401	10.5
230.14809	0.8
235.08177	4.1
253.09241	0.7
255.23276	28.8
255.25975	1.4
256.23578	2.3
277.21759	3.2
284.92950	0.7
287.07733	1.1
289.18127	1.7
293.21246	2.0
305.08478	1.2
307.19128	2.7
311.22333	6.1
323.09720	0.9
329.23312	100.0
330.23734	7.6
397.13483	45.9
398.13846	2.5
415.14542	15.1
416.14984	1.0
538.38776	0.6
567.46136	2.0
653.37561	5.3
654.37634	0.8
709.36401	5.6
727.37616	3.2
965.59900	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	965.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.0
70.84136	1.1
71.01256	15.4
72.99171	1.3
73.02828	1.9
81.03333	0.6
82.43073	0.3
83.01252	1.2
83.04901	0.9
84.99232	0.3
85.02824	3.8
87.00747	3.6
89.02317	12.8
90.02686	0.5
93.03329	0.5
95.01264	1.4
95.04915	0.7
96.95891	0.4
97.02843	1.8
97.06467	0.4
99.00752	1.1
99.04384	0.5
101.02325	11.5
109.06492	0.5
111.00782	0.4
111.08043	7.6
113.02329	6.2
113.09605	0.8
117.85343	0.3
119.03376	3.0
124.01547	0.3
125.02345	3.8
131.03378	0.8
131.66400	0.3
135.11647	0.5
139.03922	0.5
141.01692	0.6
141.09088	0.4
143.03423	2.6
144.33623	0.4
149.09633	0.8
161.04437	2.6
167.10712	1.4
177.12817	1.8
179.05519	4.4
179.10690	1.5
179.14337	0.6
185.04401	0.4
195.13840	12.6
196.14217	0.7
203.14264	0.4
205.12311	0.8
205.15981	0.5
217.07025	0.3
221.06618	2.3
223.13347	6.2
225.14900	0.5
228.13687	0.9
231.21138	0.4
235.08182	3.4
247.20648	1.8
253.09276	1.2
256.13159	1.0
263.07733	0.5
273.18600	0.9
275.20148	4.2
276.20587	0.4
287.07706	0.9
291.19662	81.3
292.20023	6.4
293.21219	100.0
294.21588	7.2
305.08771	1.2
323.09775	1.3
379.12442	2.4
397.13504	30.1
398.13943	1.9
400.57510	0.4
415.14597	11.6
416.15009	1.0
466.93201	0.3
567.40100	0.6
613.58557	0.3
671.32898	3.4
672.34198	0.6
673.34509	1.0
689.33832	6.3
690.34180	1.1
691.35565	2.5
965.54626	1.2
989.00909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37310	54.6
70.37737	86.1
71.01252	63.7
78.95767	30.2
121.02864	50.2
125.02331	37.2
209.11778	100.0
210.12137	35.5
226.72527	24.6
239.91930	24.1
247.64323	25.9
254.10808	32.6
293.21194	71.6
294.21646	33.7
347.23749	28.5
355.79391	36.1
400.97900	33.1
605.09625	33.5
964.48132	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	30.4
76.33748	13.1
78.95803	20.5
84.08256	13.0
96.10109	13.2
125.02284	21.4
209.11789	100.0
229.72047	19.2
243.38370	13.9
250.50624	13.4
293.21170	44.6
300.99838	27.2
303.08344	13.7
397.13818	21.7
398.13693	18.1
554.31000	16.6
593.06140	15.5
767.29645	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	963.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	0.3
69.03323	2.1
70.23595	0.4
70.23965	0.9
71.01251	16.9
71.25308	0.2
72.99173	1.5
73.02815	2.7
75.00743	0.4
81.03326	0.8
83.01243	1.8
83.04906	0.6
84.02039	0.3
85.02822	8.6
86.98598	0.2
87.00747	3.9
89.02315	14.1
89.61449	0.2
90.02663	0.3
91.03884	0.3
95.01264	1.5
95.04884	0.5
97.02258	0.3
97.02831	3.7
97.06475	2.4
99.00748	1.2
99.04440	0.2
99.84361	0.3
101.02320	13.6
103.03857	0.3
109.02772	0.2
109.06443	0.3
111.00769	0.4
111.04388	0.7
113.02328	6.7
115.03873	0.4
119.03393	3.6
119.08526	0.3
123.04426	0.3
123.08025	0.3
125.02325	5.3
125.09607	0.6
127.03857	0.3
127.11153	1.2
131.03366	0.6
133.04968	0.4
137.09586	1.7
139.03879	0.5
141.01762	0.2
143.03392	2.1
145.04910	0.3
147.38692	0.2
149.04428	0.6
155.10689	0.7
155.14316	0.3
161.04477	2.4
165.12769	0.7
167.03304	0.3
167.14264	0.4
169.04961	0.2
171.10176	22.0
172.10483	0.8
177.12753	0.8
179.05545	2.9
183.13843	1.8
185.04510	0.4
185.11783	0.9
193.12152	1.1
197.11839	0.2
201.11258	1.1
203.10657	0.5
209.11801	1.3
209.66002	0.3
211.13329	11.6
212.13664	0.5
214.37192	0.3
217.07158	0.6
221.06635	1.0
221.11775	2.2
227.12859	0.4
229.14401	9.9
230.14766	0.4
233.31265	0.3
235.08211	4.8
236.08591	0.3
239.12845	1.5
247.20682	0.4
253.09299	1.0
255.23264	39.2
256.23590	2.8
257.13727	0.3
263.07684	0.5
287.07669	1.0
291.19675	3.8
305.08792	1.8
309.20685	6.8
310.21185	0.5
323.09857	0.8
327.21744	100.0
328.22076	7.9
351.21954	0.3
369.22836	0.3
379.12375	0.5
397.13480	50.8
398.13882	3.2
415.14557	14.5
416.15054	0.9
530.41870	0.2
565.44537	1.9
653.37476	6.2
654.37933	1.0
689.33185	0.3
707.34991	5.7
708.34955	1.1
725.35968	3.0
726.36584	0.4
963.58765	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51009	0.1
79.95605	6.7
84.18649	0.1
86.65667	0.1
95.95115	0.2
96.95883	100.0
97.95818	0.4
98.95486	0.2
109.02812	0.2
110.97474	0.6
121.02840	0.2
125.02325	0.4
135.04391	0.2
136.01572	0.1
137.02307	0.5
141.95642	0.1
149.02231	0.1
150.03105	0.1
151.00243	0.2
151.03876	0.4
161.02373	0.2
162.70862	0.1
169.01273	0.2
175.03920	0.2
177.05490	0.1
180.07809	0.1
191.05663	0.1
203.03505	0.2
230.99669	0.3
240.04277	0.1
243.64787	0.1
245.00966	0.1
259.05997	0.1
269.08163	1.8
270.08545	0.1
271.02423	0.1
278.02090	0.1
281.08203	0.3
289.06964	0.1
299.09201	0.9
300.09903	0.3
300.99899	0.3
306.01440	0.1
314.11609	1.6
315.12198	0.4
324.02753	0.4
325.03461	0.3
329.13971	0.4
359.15103	0.2
369.09631	0.2
424.08231	0.4
439.10629	69.8
440.10971	7.4
440.17276	0.2
441.10800	0.2
487.08588	0.4
523.22021	0.5
583.10913	0.2
751.94995	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	963.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43707	1.1
83.01265	0.2
83.05453	0.1
89.00195	0.9
90.11369	0.1
91.01766	0.6
93.03315	1.4
97.02823	2.9
98.19806	0.2
107.01261	0.5
109.02836	1.7
109.99937	0.2
121.02837	13.3
122.03150	0.5
124.01535	0.3
125.02386	0.7
137.02332	0.4
139.03906	0.5
147.00835	0.3
148.01566	0.2
148.05194	0.2
149.02336	1.4
149.99464	1.3
151.00284	1.0
161.02312	0.3
163.00288	0.9
163.04027	0.1
163.07506	0.2
164.00998	0.3
165.01834	35.5
166.02150	1.1
169.01270	0.4
174.03148	0.2
175.03871	0.4
183.02881	0.4
190.99828	0.2
192.00575	0.4
193.01343	4.9
194.01646	0.3
196.56004	0.1
198.03123	0.2
199.03966	0.2
200.04935	0.2
207.02994	0.6
211.03973	0.2
216.04210	0.2
226.02678	0.6
227.03383	0.6
228.04227	0.9
239.03557	0.2
242.02332	0.2
243.02905	1.3
244.03661	0.6
254.02121	0.9
255.02895	1.2
256.03619	0.7
259.06049	0.9
269.04626	0.4
271.02451	5.0
271.05585	0.3
272.03149	1.5
282.01749	0.2
283.02563	0.2
287.05591	1.7
297.04242	0.3
300.02710	8.4
300.99948	0.3
301.03098	0.7
313.03540	0.4
315.05075	100.0
316.05411	7.9
395.00739	32.5
396.01022	2.6
405.46033	0.2
549.95081	0.2
679.10382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99691	0.1
69.03316	0.2
69.28542	0.7
69.28959	0.2
71.01249	2.9
71.04901	0.1
73.02798	1.0
75.28577	0.1
76.94828	0.1
79.16282	0.1
81.03329	0.7
83.01253	0.5
85.02813	2.8
87.00761	0.1
87.04382	2.9
88.04739	0.1
89.18881	0.1
89.74347	0.1
91.01770	0.1
93.03321	0.5
95.01254	1.7
97.02798	0.1
99.00747	0.5
101.02327	1.5
107.01264	0.3
108.02046	32.0
109.02838	18.2
110.03183	0.4
113.02328	1.5
121.02840	0.8
123.00758	1.4
123.04435	0.4
123.08060	0.3
125.02338	0.7
133.02855	0.3
134.03624	0.2
135.00743	0.3
135.04414	0.4
137.02347	0.2
139.11197	0.6
148.01639	0.1
151.00258	0.9
151.03899	1.1
152.01048	42.0
153.01836	13.6
154.02194	0.4
159.02887	0.3
160.29657	0.1
161.02367	0.2
161.04442	0.7
163.00313	0.2
163.03888	1.0
165.01826	1.1
169.01343	0.3
175.03972	0.1
177.01781	0.2
178.99788	0.3
179.03386	0.1
181.05029	0.1
183.10202	0.3
191.05571	0.1
195.02956	0.3
201.11230	1.2
204.92010	0.1
215.03342	0.1
225.03990	0.4
226.02563	0.2
227.03479	0.1
243.02980	0.7
254.02127	0.2
255.02940	1.8
256.03497	0.2
270.99377	0.2
271.02438	3.8
272.02835	0.3
289.07275	0.1
297.06244	0.3
299.01959	0.2
300.02719	6.0
300.99884	0.3
301.03403	3.0
302.03900	0.3
315.07199	10.9
316.02237	0.1
316.07520	0.6
463.08807	4.9
464.09048	0.5
479.08231	0.1
499.18164	100.0
500.18488	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	961.6526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92769	2.0
71.04900	1.4
78.95766	0.4
80.96400	0.4
81.03313	0.7
88.98674	0.7
103.09945	0.3
116.63596	0.4
125.60086	0.4
162.66666	0.4
166.72484	0.4
230.73059	0.4
277.21719	0.9
309.29095	0.4
405.31549	1.6
445.23764	0.4
469.33188	100.0
470.33502	13.3
471.33838	0.4
510.15302	0.5
961.65295	78.0
962.65533	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	962.532
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00900	11.6
71.01256	40.2
73.02787	13.8
75.00753	100.0
78.95771	12.8
85.02835	22.8
88.98692	14.7
98.20593	23.8
125.02362	21.0
209.11723	47.9
229.25389	13.1
277.21472	12.9
300.99786	17.4
326.35287	14.1
471.34756	35.1
472.35287	42.0
728.99969	16.9
755.49005	19.3
756.48322	15.4
901.54529	33.4
902.54639	50.8
962.52234	46.8
998.36462	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	963.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52911	1.9
83.01258	1.6
86.23969	0.2
91.80362	0.2
93.03329	1.0
96.95886	0.7
102.09291	0.2
103.18372	0.2
107.01266	6.8
109.02839	1.2
121.02831	6.9
125.02340	0.3
139.03886	0.4
142.82854	0.3
149.02332	0.8
151.00266	28.9
152.00606	1.0
159.04424	0.3
161.02350	0.3
163.00214	1.6
163.03944	0.3
164.01076	0.4
169.01334	1.4
178.99773	13.5
180.00092	0.6
184.95660	0.3
185.05853	0.3
187.03889	0.3
193.01382	0.6
211.03976	0.5
212.04671	0.3
213.01895	0.3
227.03404	0.8
229.05003	0.8
245.04530	1.3
245.11261	0.2
255.02972	1.2
257.04605	0.5
265.01514	0.3
271.02451	0.3
273.04013	1.8
283.02377	0.5
299.02023	0.4
301.03506	100.0
302.03842	6.8
303.04089	0.3
303.87857	0.3
320.39240	0.3
347.11639	0.8
380.99197	26.4
381.99628	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	961.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33303	11.0
71.01254	10.3
73.02811	2.3
75.00731	1.9
78.95782	1.6
80.02544	1.5
81.03378	2.3
83.01244	2.2
83.04899	4.9
85.02819	3.6
87.00767	4.0
89.02317	11.2
89.68650	1.4
97.02831	2.6
98.74902	1.4
101.02319	8.0
110.09420	1.8
111.08076	1.5
113.02311	3.5
116.14596	1.5
119.03400	3.0
121.12462	1.4
125.02319	4.2
143.03346	1.4
161.04408	3.2
163.11147	3.2
165.12775	2.4
165.80524	1.9
179.05467	3.5
187.00435	1.8
189.01852	4.5
195.13831	8.0
204.51038	1.3
209.11757	86.9
210.12161	4.3
211.55426	1.5
223.13313	4.3
227.12811	11.1
235.08185	5.2
253.09245	5.8
262.60986	1.5
275.20139	5.1
276.20645	1.3
287.07874	1.5
293.21213	100.0
294.21500	9.0
300.99881	1.7
379.12274	3.7
390.51740	1.4
397.13507	27.1
398.13928	2.1
415.14563	10.5
416.14850	1.7
607.26483	3.2
691.35388	4.0
921.03009	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	960.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	21.3
71.21086	17.7
75.00767	17.5
88.98656	40.7
89.02290	19.2
101.02347	13.7
113.02331	10.6
116.84921	9.5
116.92123	9.4
116.92761	100.0
117.92710	19.7
121.02759	11.1
125.02310	36.0
181.01340	9.6
209.11865	14.5
223.13231	49.6
224.13690	38.4
293.21170	68.6
294.21680	57.6
295.21817	32.5
397.13498	23.4
398.13782	12.8
399.14142	15.5
467.20288	10.6
469.32373	11.8
471.34775	22.1
472.35098	22.5
708.07294	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	959.6978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	0.2
73.02818	0.1
78.95784	0.2
79.23265	0.1
83.94328	0.1
85.02840	0.1
87.00749	0.2
88.98677	4.5
89.02312	0.6
95.28194	0.1
96.95883	0.4
97.84954	0.1
98.42782	0.1
99.92445	0.3
116.92740	3.6
117.92741	1.1
118.92561	0.6
118.93295	0.2
119.03400	0.2
119.94615	0.2
125.02345	0.3
191.19997	0.2
197.11845	0.2
207.10190	0.3
226.42729	0.1
268.30673	0.1
293.21146	0.3
300.99838	0.2
309.20541	0.2
391.30219	0.2
397.13452	0.2
405.31531	0.6
407.32858	0.2
423.32803	0.4
432.64142	0.2
451.32132	0.4
453.33807	1.9
454.34131	0.2
471.34753	100.0
472.35101	12.4
473.36026	1.1
474.35941	0.2
485.32422	0.7
486.33069	0.6
487.34241	4.4
488.34433	0.5
787.79401	0.2
899.46588	0.2
959.47998	0.1
991.51196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43637	0.4
69.22982	4.6
78.95786	0.5
88.98677	0.6
94.97956	1.4
106.68179	0.5
111.09691	0.4
116.92738	1.2
118.11996	0.5
131.56337	0.4
143.92769	0.5
152.99384	0.4
174.24347	0.4
212.79309	0.4
232.12500	0.4
397.13522	0.7
453.33841	0.9
471.34781	100.0
472.35184	10.6
487.34296	44.6
488.34488	4.4
532.52130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	0.1
89.20174	0.1
102.28700	0.1
116.92737	0.5
149.23112	0.1
180.90880	0.1
287.59741	0.1
350.22324	0.1
371.88007	0.1
393.31430	0.2
405.31744	0.1
453.33395	0.1
470.33615	0.1
471.34753	100.0
472.35117	10.3
472.42303	0.1
487.34232	0.1
714.28107	0.1
913.67804	0.1
916.11395	0.1
959.70319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00754	43.6
80.96408	68.6
98.20560	100.0
103.48534	31.6
127.78324	31.0
209.11626	31.7
235.92082	35.8
244.32158	34.7
374.74283	32.7
374.92786	33.5
379.12845	28.0
579.86371	32.8
670.69177	38.1
741.82355	35.9
840.27240	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.5
71.01252	59.3
72.99184	5.7
73.02821	17.7
73.22894	1.2
75.00728	1.4
78.95781	1.6
80.96412	2.0
81.03320	2.4
83.01245	10.0
83.04877	1.5
85.02302	1.9
85.02817	36.7
87.00756	4.2
88.98667	14.9
89.02302	7.6
99.00718	6.5
101.02308	10.0
103.03866	3.5
105.01810	7.5
105.18985	1.5
109.02866	1.4
113.02326	4.8
116.92730	4.4
117.92661	1.5
125.02330	5.2
127.03971	2.7
128.70551	1.6
131.03394	7.7
143.03384	3.2
189.01964	1.8
191.95763	1.4
202.02605	1.2
205.07227	1.6
209.11713	3.6
223.13391	1.8
224.13644	1.5
229.98277	1.4
232.14342	1.5
235.52042	1.4
293.21143	1.9
300.99771	2.6
348.77628	2.0
439.32034	4.0
469.32980	4.5
470.33215	2.6
471.34778	23.1
472.35168	12.5
473.34897	2.9
473.95926	1.6
487.34061	3.3
527.21613	1.4
753.47809	37.9
754.48322	5.7
899.53632	100.0
900.54120	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	957.6823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	0.6
72.79900	0.1
75.47408	0.1
76.79359	0.2
85.02831	0.2
87.00730	0.5
88.98676	0.3
89.02321	0.6
96.95917	0.3
98.20644	0.4
99.92474	0.2
101.02354	0.4
103.00284	0.2
112.63888	0.2
113.02329	0.2
113.09604	0.2
114.09353	0.2
116.92741	2.5
117.92744	0.5
118.92548	0.4
119.03403	0.2
125.02280	0.2
127.96075	0.2
132.79836	0.2
179.05580	0.2
182.09415	0.2
195.13760	0.2
200.70145	0.2
205.12204	0.2
223.13336	2.0
224.13571	0.2
229.48878	0.2
293.21222	3.3
294.21494	0.4
397.13434	1.2
425.30548	0.7
471.34750	100.0
472.35080	12.2
477.45468	0.2
485.32648	1.2
603.26514	0.3
621.27600	0.5
691.35706	0.3
766.02936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	15.8
73.02811	4.8
78.95782	4.3
80.96407	5.7
81.03308	2.8
83.01209	2.7
83.04874	5.4
87.00745	6.2
89.02307	11.6
95.01227	3.3
96.58257	2.2
97.02832	3.3
101.02320	10.7
113.02309	6.1
116.92751	7.3
125.02329	4.3
138.26196	2.4
161.04448	4.6
163.11203	5.9
179.05632	2.7
186.63013	2.3
209.11769	100.0
210.12115	4.9
227.12830	12.1
229.25418	2.9
235.08153	5.1
255.23270	50.4
256.23508	3.3
285.61279	2.6
287.07727	3.2
301.66376	3.1
305.08801	3.9
379.12265	13.4
397.13501	43.4
398.13971	3.7
415.14645	9.2
653.37323	6.2
781.41504	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	957.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42522	0.1
72.62592	0.1
78.67053	0.1
80.96403	0.1
83.01260	0.2
84.39114	0.1
89.00192	0.9
89.06463	0.2
91.01754	0.6
93.03335	1.5
97.02259	0.3
97.02825	3.0
98.03163	0.2
98.20595	0.3
98.56310	0.1
107.01241	0.5
109.02825	1.7
111.00753	0.1
121.02842	14.2
122.03159	0.6
124.01559	0.3
125.02330	0.4
137.02344	0.2
139.03867	0.7
147.00783	0.3
148.01581	0.2
149.02344	1.3
149.99483	1.2
151.00278	1.1
161.02362	0.4
163.00256	0.8
164.00949	0.3
165.01836	38.9
166.02150	1.5
177.01875	0.2
179.03407	0.3
183.02888	0.4
183.47377	0.1
190.99677	0.2
191.05617	0.2
192.00600	0.4
193.01350	5.5
194.01698	0.2
203.03404	0.1
207.02956	0.9
211.03778	0.2
215.03467	0.2
216.04204	0.4
226.02611	0.8
227.03365	0.5
228.04259	0.8
239.03441	0.2
242.02141	0.2
243.02902	1.6
243.06647	0.2
244.03635	0.4
254.02115	1.2
255.02948	1.1
256.03812	0.8
257.04486	0.2
259.06161	0.8
269.04599	0.5
271.02466	5.4
271.05542	0.3
272.03180	1.4
283.02542	0.1
285.04190	0.3
287.05637	1.7
288.06079	0.3
297.03928	0.3
298.04425	0.2
300.02725	9.0
300.99805	0.3
301.03122	0.6
313.03464	0.5
315.05090	100.0
316.05402	7.3
317.05627	0.2
395.00754	27.0
396.01068	2.1
508.19669	0.2
670.21350	0.1
703.87323	0.1
761.05292	0.2
831.62421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99954	1.0
69.85936	4.6
71.01247	2.1
71.01915	1.0
83.10567	0.9
85.02819	1.6
89.02288	1.1
89.55990	1.0
93.03339	1.5
96.95884	2.7
107.01288	1.5
109.02834	4.3
119.04932	1.1
121.02869	2.2
123.04364	1.9
125.02330	6.8
132.53836	1.0
133.02837	1.1
135.04411	2.1
137.02350	1.3
139.03876	1.2
145.02780	1.1
148.01598	5.0
149.02357	3.8
150.03159	1.1
151.00328	2.8
151.03831	1.6
152.01024	1.5
160.01585	1.0
161.02386	8.0
165.01807	1.7
167.03383	1.7
169.01326	4.3
173.02330	1.3
175.00369	1.1
175.03877	2.9
177.01811	2.4
185.02505	1.1
187.03970	2.2
189.01810	1.6
190.02528	1.3
191.05482	3.2
199.03954	1.7
200.04755	7.4
201.05446	2.3
203.03418	1.5
211.03963	2.2
215.03442	1.3
223.04071	1.1
226.02672	1.0
227.03468	3.5
229.01492	1.3
243.02956	2.1
245.04472	1.2
251.03479	1.2
255.02979	1.4
257.19806	1.0
268.00055	2.1
269.00751	3.0
269.04660	1.2
269.07529	1.1
271.02457	8.2
275.01920	1.9
289.07330	1.8
294.98846	3.1
295.08289	1.2
299.01794	2.2
299.99503	1.9
300.02728	9.9
300.99936	5.5
301.03500	5.4
331.05646	1.4
335.05960	1.1
339.06943	1.3
342.05127	1.3
345.04108	5.3
346.04678	1.1
350.05911	1.3
351.06583	2.7
354.05209	1.9
355.06137	2.8
357.04068	3.4
358.04630	1.6
363.05927	1.3
365.04453	1.5
367.06049	3.1
368.07172	1.3
369.03690	1.4
370.04730	1.7
371.05432	1.8
379.06018	4.1
380.06799	3.8
381.07578	1.3
383.05328	2.2
387.05109	2.9
391.06094	2.2
394.04898	2.5
395.05515	2.7
406.04739	1.3
407.05771	2.2
408.06406	2.8
419.05377	2.0
423.04990	3.9
424.05743	3.9
425.06720	2.9
434.04486	1.6
435.04672	4.7
436.05780	2.1
444.01132	1.9
445.01877	4.3
447.09436	7.8
451.04303	5.0
452.05344	78.2
453.05951	18.6
454.06589	2.2
463.04630	1.5
464.05249	1.7
465.05994	1.9
475.04477	1.6
478.03076	8.1
479.04086	8.6
480.04843	8.0
481.05643	10.6
482.05994	2.5
491.04398	1.3
492.04688	3.1
493.05185	2.0
496.04474	1.4
509.05157	3.8
510.06244	1.4
584.08008	1.2
591.07513	2.6
601.07489	1.4
628.06195	2.2
629.06940	6.3
646.07758	1.8
647.08099	2.0
656.12262	1.4
775.13110	10.9
776.13263	1.6
792.13342	73.9
793.13977	100.0
794.14349	16.3
805.14392	1.5
809.14050	1.3
955.18878	17.2
956.19934	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	955.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	1.8
76.29947	0.3
83.01244	1.4
85.02797	0.9
91.27766	0.3
93.03345	0.5
98.19704	0.6
99.00778	0.5
103.00274	0.4
107.00663	0.3
107.01288	3.5
109.02823	1.6
113.02319	1.4
121.02831	3.6
124.12968	0.3
137.02237	0.4
138.62674	0.3
139.03926	0.4
141.62064	0.4
149.02356	0.9
151.00269	17.1
152.00583	0.5
163.00266	2.4
169.01315	1.1
175.02425	1.0
178.99771	9.4
187.03877	0.4
190.99673	0.5
192.00510	0.4
199.03960	0.4
201.05461	0.3
208.53581	0.3
211.03947	0.8
227.03398	0.9
229.05171	1.6
229.57483	0.5
245.04489	1.7
246.87833	0.3
255.03040	2.8
257.04529	0.5
273.04047	1.5
283.02429	1.4
300.02679	0.5
301.03510	100.0
302.03894	6.4
477.06714	98.5
478.07065	10.5
617.48285	0.4
664.45551	0.4
738.19611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39598	1.8
71.01254	23.0
71.50710	3.1
73.02811	2.7
78.95773	2.4
79.95591	2.3
80.02550	2.6
80.96388	6.1
81.03338	2.9
83.01270	2.5
83.04893	5.5
85.02812	3.1
87.00761	3.9
89.02310	14.8
95.01236	2.5
96.95869	2.7
97.02814	3.5
101.02345	11.8
106.97662	2.4
107.94752	1.9
109.02813	2.9
109.06534	1.8
111.08029	4.1
113.02309	7.6
116.92741	4.2
119.03375	5.5
121.02799	1.9
125.02346	13.1
137.02313	3.1
143.03362	3.2
161.02367	2.5
161.04475	4.7
163.11235	3.8
167.77867	2.0
169.01314	3.3
171.10173	4.9
175.03886	3.4
177.01811	2.2
179.05481	7.3
181.12256	2.5
197.11740	22.9
197.36783	2.1
199.13303	2.0
201.11197	5.2
209.11768	87.5
210.12122	6.0
211.13278	7.4
227.12872	24.9
235.08247	5.3
263.20059	2.3
264.13785	1.9
268.03720	15.1
273.18182	2.2
275.01886	2.4
283.06110	22.7
289.07220	2.3
291.19678	16.0
293.21286	3.3
300.99899	5.6
305.08704	3.2
309.20697	100.0
310.21021	7.1
311.22125	8.2
347.02560	2.1
379.12274	4.6
397.08444	3.3
397.13507	54.4
398.13904	2.9
415.14581	18.4
589.24774	3.3
607.25739	7.4
623.25757	2.4
689.33563	4.4
707.34564	8.3
780.65344	2.4
788.65393	2.2
886.81299	2.4
899.45795	2.7
953.45087	45.7
954.46033	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	953.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20562	1.9
69.20994	2.1
71.01255	5.8
72.99163	0.6
73.02798	0.5
75.00741	1.3
83.01250	0.4
85.02816	5.8
87.00745	1.8
93.03335	0.6
95.01237	1.5
96.95885	0.7
97.02782	0.6
99.00764	2.5
103.00278	1.9
109.02820	2.7
110.00002	0.6
113.02326	10.5
115.00207	0.5
117.01831	1.0
119.04957	0.5
121.02837	3.5
125.02345	1.2
135.04463	0.5
149.02315	0.8
151.00287	1.0
162.43797	0.4
163.00227	0.8
163.03908	0.7
165.01849	11.1
169.01355	0.5
175.02380	6.1
175.03883	1.3
193.01331	2.5
199.03903	1.5
200.04500	0.4
200.27504	0.4
209.11661	0.6
215.03441	0.7
216.04152	0.4
226.02707	1.2
227.03447	2.3
228.04184	0.6
242.02196	0.9
243.02963	7.2
244.03404	0.6
254.02219	2.1
255.02924	2.7
256.03830	0.5
257.04541	1.7
258.05261	0.4
259.06036	0.6
269.04602	2.5
270.01773	1.2
271.02472	44.6
272.02872	3.5
275.01910	0.9
285.03970	4.3
286.04767	1.2
287.05612	1.6
297.04105	0.8
299.01962	65.5
300.02585	11.2
300.99832	1.0
301.03043	0.7
314.04309	68.7
315.05066	59.8
315.08914	0.9
316.05432	3.9
329.06662	46.2
330.06995	2.7
381.20108	0.4
403.80807	0.4
409.91354	0.5
447.09302	100.0
448.05078	0.2
448.09628	10.5
505.09879	11.1
506.10504	1.1
521.83630	0.4
687.05756	0.4
953.21759	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	952.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	71.9
83.85063	44.4
84.55978	48.9
88.98688	65.9
90.53462	50.7
107.76103	49.9
114.37397	48.4
116.92764	71.2
128.83615	52.6
157.34877	54.1
201.34926	54.4
209.11804	100.0
215.41502	50.5
222.44179	48.8
229.71004	85.0
726.08923	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	1.3
70.82236	0.5
70.82565	0.7
71.01251	15.4
72.99169	1.4
73.02816	2.4
81.03318	1.0
83.01247	1.7
83.04909	0.6
84.02051	0.4
85.02821	3.8
87.00746	4.7
89.01759	0.6
89.02314	12.2
92.65837	0.4
95.01244	1.0
97.02821	2.7
99.00752	1.0
101.02319	10.6
106.00949	0.4
110.68427	0.4
111.00790	0.5
113.02325	5.7
119.03393	3.2
125.02331	4.6
131.03400	0.7
135.83693	0.4
139.03868	0.7
143.03400	2.6
161.04468	3.0
161.99590	0.4
167.03467	0.5
170.57890	0.4
171.10130	0.7
179.05511	3.2
179.14345	0.8
195.13821	6.6
196.14311	0.4
205.12120	0.6
209.11705	0.5
211.13286	0.5
217.07002	0.9
221.06641	1.4
223.13324	3.6
228.13667	1.0
231.20955	0.6
235.08192	4.3
253.09286	0.8
256.13202	1.5
263.07697	0.7
265.21536	0.4
275.20169	4.3
277.09045	0.5
277.21710	42.0
278.22089	2.9
287.07672	1.1
293.21216	100.0
294.21564	6.7
305.08899	1.9
323.09933	0.8
361.11218	0.5
361.92218	0.5
369.49539	0.5
379.12515	3.3
397.13480	42.7
398.13803	3.2
404.43054	0.5
415.14563	11.6
416.14969	1.2
651.22369	0.4
673.34271	0.9
675.35785	1.0
675.93494	0.5
691.35089	0.6
950.29572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.3
71.01253	13.1
72.99169	1.4
73.02814	2.4
75.00712	0.3
76.97995	0.4
81.03340	0.7
83.01261	1.9
85.02827	3.4
87.00753	3.6
89.02316	12.7
89.75801	0.3
91.63126	0.3
95.01266	0.9
97.02821	1.8
97.06433	0.4
99.00757	1.3
99.04395	0.4
101.02315	9.3
111.04367	0.5
113.02340	6.3
113.09602	0.6
115.03906	0.4
118.84008	0.3
119.03377	3.1
122.03990	0.3
125.02336	5.3
127.03870	0.3
127.07510	0.3
131.03381	0.4
139.03949	0.7
141.01840	0.6
143.03415	2.1
161.04462	3.4
167.10732	0.4
169.64259	0.3
179.05530	3.6
179.14380	0.7
181.12169	0.4
183.13887	0.5
195.13834	8.0
196.14278	0.4
205.12187	0.9
205.15935	0.4
205.89006	0.3
211.13361	0.7
221.06648	1.9
223.13326	5.1
228.13638	1.1
235.08179	4.4
249.65007	0.3
253.09256	0.9
256.13104	1.4
263.07529	0.4
275.17444	0.5
275.20157	6.3
276.20456	0.7
277.21716	39.5
278.21988	2.9
287.07761	1.3
291.23312	0.6
293.21216	100.0
294.21564	7.2
305.08664	1.5
317.21265	0.4
320.50586	0.3
323.09866	0.8
359.81659	0.4
368.49307	0.4
379.12405	3.6
397.13489	27.9
398.13803	2.0
415.14563	10.5
416.14819	0.4
503.98755	0.4
553.43414	0.4
636.26160	0.4
673.34717	1.0
675.35815	0.6
691.35388	0.9
924.62054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.5
69.34319	2.7
71.01253	12.9
72.99181	1.3
73.02812	1.5
75.00745	0.4
78.95791	0.5
80.02544	1.2
81.03328	2.1
83.01254	1.3
83.04890	6.3
84.02024	3.0
85.02814	3.6
87.00755	2.4
89.02310	10.8
93.03323	0.3
95.01270	1.1
95.04893	1.0
96.95879	3.9
97.02808	2.5
97.06467	6.0
99.00739	1.0
99.04388	0.9
101.02314	8.5
109.02864	0.4
109.06464	0.6
111.00729	0.6
111.04424	0.5
113.02322	4.7
119.03390	2.3
121.02814	0.7
123.04409	0.4
125.02336	5.0
125.05976	0.4
125.09612	1.2
127.11130	0.4
131.03352	0.7
135.02823	0.3
135.08026	1.1
137.02332	0.7
137.09615	1.0
139.03938	0.4
143.03400	1.7
149.04515	0.5
149.09650	0.4
159.11661	0.4
161.02345	0.4
161.04469	2.0
163.03897	0.3
163.11180	4.2
165.12752	2.5
167.03432	0.4
169.01320	0.6
171.10173	11.3
175.03908	0.8
175.11208	0.5
177.12775	0.3
179.05507	2.9
181.12367	0.7
185.11668	0.6
191.10643	1.0
193.12254	8.4
194.12679	0.3
197.11774	0.7
197.15260	0.4
201.11244	1.3
203.03358	0.4
207.10162	0.4
208.98660	0.3
209.11760	63.8
210.12074	3.0
211.13367	2.0
221.06573	1.1
221.11778	0.9
221.80745	0.3
223.13544	0.4
225.11356	0.7
225.14903	12.4
225.17160	0.7
226.15195	0.9
227.12807	7.6
228.13104	0.4
235.08136	3.1
243.15967	5.8
253.09117	0.5
253.14441	1.0
275.01917	0.7
286.97766	0.4
287.07770	0.5
289.07220	0.5
291.19592	0.9
300.99924	1.7
305.08740	1.3
305.17642	0.4
305.21103	0.5
309.20456	0.4
323.09753	0.8
323.22256	1.0
325.20160	1.0
327.21564	0.6
341.23285	100.0
342.23666	6.6
379.12332	1.3
397.13458	24.8
398.13669	1.4
415.08975	0.7
415.14539	10.3
416.14838	0.9
533.35022	2.2
589.25250	0.4
600.29871	0.4
607.25812	2.2
721.36749	1.5
739.37610	2.5
949.45721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	0.3
69.41725	0.3
69.42126	1.3
71.01259	2.2
72.67586	0.2
73.02811	0.7
75.00742	0.2
75.63765	0.2
75.81123	0.2
80.02522	0.2
81.03338	0.8
83.01240	0.3
83.56901	0.2
84.62498	0.2
85.02815	3.4
93.03333	0.7
95.01270	1.7
95.04897	4.9
97.02848	0.2
98.19785	0.2
99.00774	0.3
99.93641	0.2
100.97032	0.2
101.02327	1.2
108.02049	29.5
109.02842	20.0
110.03181	0.8
113.02346	1.0
118.92242	0.2
119.08537	1.4
120.99567	0.3
121.02873	1.0
123.00787	1.1
123.04418	1.6
125.02317	0.9
133.02840	0.5
133.83138	0.2
135.00719	0.3
135.04366	0.3
137.02274	0.4
137.09612	0.2
145.02898	0.2
147.04451	0.2
149.02315	0.2
151.03912	1.4
152.01053	41.8
153.01839	14.6
153.02890	0.2
154.02191	0.3
155.10669	1.2
161.02333	0.7
161.04404	0.6
163.03923	1.0
163.05017	0.2
163.07568	1.2
165.01840	1.4
169.01282	0.2
170.60245	0.2
176.76579	0.2
177.01863	1.9
179.03410	0.2
181.04944	0.2
181.08612	2.1
186.31818	0.2
189.01851	3.0
190.02592	0.9
191.03374	0.6
191.05275	0.2
195.02884	0.4
199.09787	0.4
203.03424	0.3
207.02965	0.3
216.00562	0.5
217.01355	3.0
218.01842	0.4
219.02919	0.8
231.02940	0.8
276.80032	0.2
297.05951	0.5
299.05960	0.2
300.02786	0.3
315.07217	10.7
316.07452	0.5
340.81064	0.2
341.02643	0.3
341.06662	6.0
342.06885	0.5
451.10303	7.9
452.10724	0.9
497.16623	100.0
498.16962	10.0
760.90436	0.2
786.58167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97672	12.8
69.98084	19.9
71.01254	12.6
71.87412	6.1
78.95801	8.8
89.02241	5.9
96.95878	9.9
138.21431	5.2
199.36771	5.3
209.11752	100.0
227.12802	12.9
293.21158	26.3
300.99899	8.3
365.77084	5.9
471.34686	22.8
472.35028	24.3
473.35599	11.6
501.19629	6.2
596.43018	6.2
832.75977	6.9
945.94019	7.6
948.51752	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	949.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38474	1.9
70.84428	1.8
70.84789	5.3
71.01244	6.1
85.02812	4.0
87.00766	3.1
89.02320	2.7
95.04903	2.5
96.72665	1.7
96.92104	1.6
96.95893	10.7
101.02328	6.8
109.02814	3.8
111.00750	6.4
113.02268	2.1
114.81277	1.9
123.00844	2.0
123.04401	2.5
125.02338	10.5
137.02344	4.8
153.01762	2.1
159.04463	2.8
161.02368	3.8
165.01840	3.3
169.01219	4.2
171.10197	2.6
174.03119	3.2
175.03905	5.8
189.01753	2.0
209.11787	7.2
227.12904	2.8
257.16580	1.7
261.26166	1.9
271.09970	3.9
275.01987	2.8
299.02246	1.8
299.99139	2.3
300.99850	6.3
313.05118	4.3
314.05872	14.3
315.06638	15.4
327.06552	5.9
341.23276	4.4
355.06158	3.8
391.09009	2.3
397.13412	2.3
405.07584	5.5
417.10834	1.9
419.08932	2.6
422.07837	15.6
423.08667	20.3
430.08380	3.3
431.09201	12.1
433.06924	2.4
443.09158	4.7
444.09702	2.9
445.10672	7.7
447.08517	10.0
448.09549	27.8
449.10214	50.7
450.10858	6.4
461.10349	7.9
462.11087	17.3
463.11975	10.1
471.08282	3.6
472.09351	2.9
473.10129	5.1
475.08029	2.4
489.09860	3.5
493.08768	3.2
494.09723	3.7
505.09103	3.2
527.11469	3.9
540.55383	2.2
544.11908	3.8
545.12769	2.3
585.13800	4.4
588.10864	8.6
589.11652	3.2
611.15430	2.7
769.17181	4.3
786.17670	16.7
787.18707	27.4
788.19147	4.0
905.24744	4.6
931.23560	3.3
949.23981	100.0
949.43317	5.2
950.24408	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	948.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54092	11.9
71.01257	19.7
72.99191	10.6
78.80138	10.3
78.95751	15.6
87.13105	10.7
89.02312	26.8
99.99718	12.2
116.77876	11.7
125.02337	20.0
171.75948	11.2
209.11813	100.0
210.12001	11.7
227.12845	21.5
230.01552	12.3
277.21451	11.6
293.21249	23.4
397.13336	30.0
409.05960	11.8
441.73160	13.1
471.34766	25.2
893.98615	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	948.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96393	5.5
85.00425	6.2
88.98689	8.9
94.97957	11.8
95.53811	5.9
96.95897	7.7
102.54560	6.2
121.02667	6.1
123.01482	6.7
125.02337	6.3
135.30861	6.0
148.00185	6.7
209.11772	58.8
293.21066	11.4
419.50217	6.4
471.34705	100.0
472.35278	43.4
562.15076	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	945.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	27.2
71.18090	2.3
72.99177	2.1
73.02811	7.3
78.95775	1.1
83.01256	4.5
85.02824	16.9
88.98682	4.9
89.02312	2.6
94.15238	0.7
99.00764	2.9
101.02335	3.6
105.04671	0.8
109.02911	1.0
110.30966	0.8
113.02325	2.4
127.03967	0.9
131.03366	6.2
145.04993	1.0
174.83176	0.9
209.11823	1.8
227.12813	2.0
277.21912	0.9
295.22629	0.8
376.60410	1.1
471.34802	81.6
472.35126	100.0
473.35492	24.8
610.01135	0.9
625.19397	1.1
666.11639	0.9
753.47955	38.6
754.48669	5.4
885.52325	23.1
886.53168	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	947.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96362	0.3
89.00199	0.7
91.01756	0.5
93.03332	1.6
97.02827	3.1
107.01230	0.4
109.02846	1.3
121.02840	12.9
122.03202	0.6
124.01582	0.4
125.02327	0.3
135.49220	0.2
139.03888	0.7
149.02338	1.0
149.99480	1.4
151.00247	1.0
163.00270	0.9
165.01836	36.8
166.02122	1.9
169.01329	0.4
177.01860	0.4
183.03012	0.3
192.00586	0.4
193.01358	5.2
194.01616	0.3
200.04761	0.3
207.02879	0.6
210.01341	0.3
216.04274	0.2
226.02675	0.7
227.03316	0.6
228.04205	0.7
241.82690	0.3
243.02954	1.6
243.06511	0.2
244.03709	0.7
254.02216	1.1
255.02975	1.0
256.03613	0.9
259.06161	0.6
269.04633	0.3
271.02448	5.3
271.05457	0.3
272.03107	1.8
285.04102	0.2
287.05612	1.9
299.01880	0.2
300.02731	8.1
300.99985	0.5
301.03186	0.9
313.03546	0.4
315.05084	100.0
316.05399	10.6
317.05624	2.0
331.04871	0.3
395.00751	32.1
396.01053	3.4
397.01102	1.8
648.35120	0.2
737.85773	0.3
851.18286	0.3
866.77588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.2
70.46235	1.2
71.01254	75.9
72.99181	2.9
73.02818	15.5
78.95788	2.0
80.32173	1.3
83.01255	12.7
85.02824	37.6
86.03157	1.1
87.00748	4.1
87.04382	1.5
88.98672	2.5
89.02315	6.3
95.01238	1.6
99.00758	7.8
100.13497	1.2
101.02323	9.5
103.03873	3.2
105.73730	1.1
113.02330	8.9
116.92680	1.6
119.03403	1.7
125.02291	1.6
131.03410	11.2
143.03389	2.0
145.04927	1.7
163.06026	2.6
186.32379	1.3
191.05629	1.6
199.13432	1.5
227.12691	2.3
247.70203	1.2
265.14819	1.8
277.21753	1.8
365.14212	1.2
412.47964	1.3
471.34793	68.4
472.35150	66.3
473.36057	45.8
474.35925	1.9
607.42310	5.3
651.41376	1.8
721.45050	1.4
739.46399	28.9
740.46729	6.9
747.28082	1.3
772.19928	1.3
885.52118	100.0
886.52454	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	945.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11768	1.4
68.99689	1.4
69.03290	2.5
71.01236	6.0
81.03318	8.6
83.01254	19.2
83.04884	3.9
87.00769	1.4
89.02317	3.6
93.03329	5.4
95.01260	2.0
95.04900	4.6
96.41093	1.3
96.95892	2.1
97.02837	9.8
99.04376	6.1
100.03908	1.3
100.84098	1.2
101.02328	3.8
107.04921	3.6
108.02098	1.4
109.02841	11.4
113.02342	2.4
121.02861	9.0
122.03614	4.8
123.00758	1.6
123.04400	4.8
124.01560	2.8
125.02336	100.0
133.02831	3.2
135.04436	8.8
137.02345	84.3
138.02762	1.8
139.03865	3.4
146.03645	29.3
147.04414	1.6
147.37129	1.5
149.02290	4.2
149.05986	2.3
150.03017	1.6
151.03891	6.7
158.03604	3.0
159.04422	9.4
160.05196	5.4
161.02318	4.0
161.05956	3.1
162.03009	2.4
163.03876	2.6
163.11118	3.0
164.01059	23.0
165.01837	52.1
166.02234	2.0
167.03429	27.2
168.20802	1.3
169.01331	2.2
172.05203	7.3
173.05952	5.5
174.03162	17.6
174.06749	3.2
175.03883	5.3
176.04643	3.9
177.01836	10.1
179.03415	18.3
184.05229	2.3
185.05963	1.8
186.06712	3.0
187.03928	6.6
188.04697	11.4
189.05476	3.1
190.02559	3.3
191.05499	2.4
197.05946	1.7
199.07599	2.4
200.04675	6.9
201.05450	4.6
202.06210	2.3
204.04201	7.6
209.06091	3.0
209.11766	33.7
210.06721	3.7
211.03917	3.2
211.07613	1.7
211.13275	1.9
212.04726	8.0
213.05542	3.3
214.06303	1.5
214.22949	1.5
222.06828	1.9
223.07552	2.5
223.13202	1.5
224.04810	2.7
225.05589	6.7
226.06293	1.9
229.94142	1.5
237.05476	3.1
244.07346	1.9
251.07042	3.3
252.07813	5.0
255.13889	3.0
268.07385	4.0
269.08328	1.6
269.11780	7.7
270.09024	3.1
270.12274	2.1
271.13406	42.4
272.13757	3.7
283.13364	4.6
285.15015	5.7
287.12833	3.7
288.06287	2.7
289.07217	2.5
289.14471	12.7
294.08981	5.1
295.13354	3.9
297.15005	5.5
299.12909	9.5
300.99951	4.0
301.14398	3.1
309.15033	3.2
311.12589	1.6
313.14447	24.3
314.14807	1.6
315.15930	5.1
317.13901	6.1
325.14481	16.2
327.21747	3.3
331.15482	6.0
335.16531	3.8
337.14493	10.2
343.15518	7.4
351.15860	3.4
353.17355	1.9
355.15494	2.5
359.16757	1.7
369.17343	2.2
377.17551	6.6
379.15536	4.2
391.14951	1.7
393.16785	1.9
395.18475	5.9
413.19461	1.9
419.18680	19.7
437.19739	9.0
438.19867	1.7
463.17526	6.0
481.19016	2.3
487.34006	7.4
567.24524	9.0
568.23975	1.6
579.24377	2.2
591.24371	4.2
593.12915	4.0
673.28296	9.3
674.28809	1.9
691.29474	2.6
717.27679	5.6
759.35626	2.0
759.64740	1.9
777.36914	18.5
778.37158	3.9
789.37323	12.7
790.37897	2.2
801.37567	9.7
807.38013	11.7
819.38477	1.9
883.41589	16.0
884.41895	3.7
901.39569	3.0
909.39435	8.3
927.40253	85.7
928.40704	15.7
945.41211	64.5
946.41931	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	945.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01743	1.8
67.81046	1.5
69.03330	4.0
69.99270	6.7
71.01253	7.4
78.95786	1.3
81.03330	10.9
83.01258	17.7
83.04895	4.3
84.02042	1.7
85.02798	2.0
87.00726	2.1
89.02291	2.6
91.05397	2.3
93.03345	6.9
95.01257	3.1
95.04883	6.1
96.95883	2.2
97.02824	7.7
99.04388	4.8
100.29643	1.6
101.02335	3.0
107.04929	2.4
109.02836	12.7
113.02351	2.4
119.04956	1.8
121.02836	10.4
122.03606	5.1
123.00766	1.4
123.04401	4.7
124.01523	3.3
125.02339	100.0
126.02655	3.7
132.48499	1.4
133.02823	1.6
135.04387	5.3
137.02344	88.7
137.05894	1.5
138.02742	2.3
139.03918	2.4
142.56360	1.2
143.04869	1.5
146.02562	2.2
146.03653	30.7
147.04335	2.6
149.02306	2.1
150.03104	4.4
151.03917	7.8
153.01685	1.2
154.02570	1.4
158.03658	2.4
159.04424	15.9
160.05234	6.9
160.06512	1.4
161.02330	4.1
161.05986	4.1
163.00323	1.5
163.03816	1.7
163.11192	3.6
164.01085	18.2
165.01849	61.0
165.12679	1.8
166.02280	1.4
167.03413	30.1
169.01291	2.8
172.05193	9.5
173.05989	5.3
174.03166	17.6
174.06709	4.8
175.03865	5.8
176.04701	3.9
177.01855	12.5
179.03397	16.2
181.04945	1.5
185.06012	2.1
186.06802	3.6
187.03969	8.0
188.04715	9.9
189.01839	2.0
189.05524	3.3
190.02710	2.0
191.03519	2.0
191.05528	3.0
197.06036	2.8
199.03967	2.3
199.07587	2.2
200.04686	7.3
200.08400	1.7
201.05458	5.8
202.06287	1.7
204.04204	8.1
209.06119	2.2
209.11761	33.9
210.06728	2.3
211.03955	3.3
211.13232	2.0
212.04720	8.7
213.05450	2.7
214.06273	1.8
218.05872	1.6
223.07584	1.5
225.05582	7.1
226.06274	4.5
227.07047	2.4
228.07872	1.9
237.05388	2.7
239.07033	2.6
241.12291	2.4
243.13998	2.0
244.07454	1.7
251.07053	5.1
252.07826	4.5
255.13881	3.2
265.08740	1.9
268.07355	3.6
269.08417	1.7
269.11774	7.4
270.08963	4.3
270.12286	3.2
271.13385	42.4
272.13757	2.2
281.11798	1.9
283.13394	4.5
285.14984	6.2
287.13052	3.1
288.06415	2.1
289.07047	1.9
289.14413	12.9
294.08963	6.1
295.13193	3.2
297.14923	5.1
299.12839	9.3
300.99872	4.0
301.14474	5.1
309.14883	3.2
311.12921	1.6
313.14468	23.0
315.15906	4.0
317.13940	4.7
320.06964	1.8
325.14392	12.5
331.15512	4.5
335.16553	4.1
337.14389	12.0
343.15414	8.7
351.16119	2.6
353.17538	4.0
355.15402	4.3
377.17468	5.2
379.15344	3.9
393.17130	3.1
395.18512	5.7
401.17474	2.8
413.21210	4.4
419.18695	21.6
420.18564	1.7
437.19705	12.7
445.16876	2.1
463.17667	10.1
481.18613	2.7
550.04108	1.5
561.85944	1.5
567.24542	9.2
579.24536	2.3
591.24500	4.3
655.28168	1.5
673.28357	10.8
674.29053	2.2
691.30157	1.7
717.27332	5.3
759.36328	2.7
761.37744	2.2
777.36841	23.0
778.37079	3.7
789.37347	16.6
790.37134	2.6
801.37268	10.6
807.38007	15.3
843.38507	2.7
865.39850	2.2
883.41016	15.0
884.40869	2.2
901.40387	2.7
909.39020	9.3
910.39465	2.2
927.40131	96.6
928.40271	18.6
945.41199	77.5
946.41528	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	945.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01235	0.2
71.51563	0.2
71.51949	0.2
72.82652	0.1
74.86443	0.2
80.96420	0.2
89.00204	0.6
91.01764	0.7
92.09438	0.2
93.03324	1.2
96.95891	0.3
97.02827	2.5
107.01208	0.3
109.02838	1.6
120.99569	0.2
121.02842	12.8
122.03174	0.5
124.01511	0.2
125.02347	0.4
137.02373	0.2
139.03885	0.5
148.01598	0.4
149.02380	1.0
149.99522	1.0
151.00258	1.1
161.02353	0.2
163.00282	0.7
164.01201	0.2
165.01837	35.0
166.02176	1.5
169.01334	0.3
172.82771	0.2
177.01855	0.4
183.02916	0.6
189.01877	0.2
190.02696	0.2
190.99773	0.2
191.05452	0.2
192.00597	0.4
193.01360	5.5
194.01611	0.4
200.04662	0.2
207.02959	0.7
215.03270	0.2
217.05064	0.2
226.02747	0.4
227.03418	0.5
228.04352	0.8
229.04750	0.2
239.03426	0.2
243.03006	1.1
244.03656	0.6
254.02121	0.9
255.02872	0.9
256.03543	0.9
259.06161	0.9
269.04565	0.4
271.02475	4.4
271.05692	0.3
272.03241	1.3
283.02457	0.3
287.05634	2.1
288.05905	0.2
297.03836	0.4
299.01880	0.2
300.02731	7.4
301.00003	0.3
301.03198	0.6
313.03610	0.7
315.05090	100.0
316.05402	9.0
317.05511	0.7
395.00757	29.8
396.01004	3.0
397.00446	0.3
496.14056	0.2
954.23553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	29.1
72.99167	13.8
75.00734	12.6
78.95775	9.0
80.96378	12.1
85.02869	9.5
87.00808	7.3
88.98676	24.8
89.02309	24.6
97.02816	8.6
101.02282	17.0
107.97555	7.3
109.06467	33.0
110.06734	6.0
112.56043	6.6
113.02318	10.8
116.87087	6.9
125.02318	14.2
134.21661	7.1
163.11212	23.1
177.91022	7.3
184.80597	7.3
201.13295	6.7
207.10193	100.0
208.10545	20.3
209.11716	48.8
225.11266	44.8
226.11694	19.2
277.21716	62.6
278.22055	31.1
300.99707	6.5
379.12500	9.7
397.13376	50.3
398.13553	21.4
415.14462	16.6
469.32367	7.1
763.04346	7.8
884.47461	69.1
885.47345	10.8
945.46960	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	944.485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	53.0
71.30116	27.9
88.98669	26.0
89.02293	41.4
96.95860	39.0
101.02326	26.8
113.99540	18.8
116.92741	27.2
117.07046	21.1
127.84772	18.8
134.89716	21.1
166.96310	21.0
173.13287	19.1
189.95470	18.3
193.14439	18.2
205.12230	22.8
223.13364	100.0
224.13664	76.1
260.36710	21.7
277.21616	44.4
278.22125	43.4
279.22232	29.4
397.13623	42.0
398.13968	50.9
399.14072	27.9
731.85138	19.0
944.46155	31.0
963.81207	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	943.7031
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96363	0.1
88.98663	0.1
103.63969	0.1
105.01797	0.1
113.57075	0.1
121.02810	0.1
139.01733	0.1
172.21149	0.1
209.11703	0.1
469.33224	0.1
470.33658	0.3
471.34753	100.0
472.35101	12.9
545.56177	0.1
943.46191	0.1
952.87396	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	943.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52612	0.2
69.25023	2.8
74.98986	0.3
80.89912	0.3
83.01270	0.5
88.99737	0.3
98.19868	0.7
107.01284	1.6
108.02052	0.4
109.02814	1.3
120.99540	100.0
121.02838	1.4
121.99889	0.7
123.04413	1.0
124.01562	0.3
125.02352	1.0
135.00731	0.3
139.00275	0.5
145.02867	0.6
147.04437	0.3
148.01637	0.5
151.00270	6.1
161.02373	0.4
163.00275	1.6
169.01413	0.4
173.04518	0.5
175.03918	0.5
177.01868	0.4
178.99797	3.5
183.04439	0.3
187.03806	0.3
191.05542	0.3
197.28523	0.3
203.03484	0.4
211.04153	1.3
215.03427	0.3
219.03061	0.3
226.02605	0.5
227.03426	1.0
229.05019	0.6
231.02910	0.3
243.02965	3.1
245.04588	1.3
254.02249	0.9
255.02957	9.3
256.03491	0.7
259.02377	0.3
271.02466	17.1
272.00369	0.3
272.02832	1.6
273.04007	0.9
283.02509	1.0
287.02063	0.5
299.02042	0.4
299.05954	0.3
300.02737	33.6
301.03485	25.3
302.03848	1.5
306.87051	0.3
310.21396	0.3
315.01474	1.0
316.02136	0.3
331.01053	0.4
355.65848	0.3
421.07977	0.3
443.57434	0.3
447.09286	53.4
448.09622	3.9
451.09094	0.4
463.08826	0.6
479.08313	1.1
489.10721	0.4
495.07169	0.4
495.13043	2.2
495.19083	0.7
581.46545	0.3
592.85492	0.3
786.18665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88156	0.6
69.31618	2.6
69.32048	3.8
83.01265	0.8
95.01221	1.0
96.95891	1.0
107.01268	2.1
108.02053	1.4
109.02814	1.9
109.99982	3.7
111.00768	1.8
111.32243	0.8
119.04871	0.7
121.02887	0.9
123.00751	1.2
125.02333	1.8
136.98744	0.8
137.02322	1.1
137.99435	1.6
139.00270	6.0
139.81126	0.7
148.01485	1.0
151.00272	7.2
152.00981	1.9
153.01823	1.5
161.02350	1.3
163.00302	1.9
164.01067	1.1
165.98987	7.1
166.99763	3.6
169.01347	0.8
171.04321	0.9
178.99770	7.0
183.04315	0.7
186.80185	0.6
187.03934	1.1
189.01755	1.0
190.99657	0.8
194.99237	1.3
199.03944	1.2
201.01857	1.8
209.03824	0.6
211.04015	1.0
214.02570	1.0
215.03384	0.7
226.02592	0.9
227.03419	3.4
229.01466	0.9
231.02882	1.5
242.02090	1.8
243.02957	5.4
244.03386	1.0
255.02969	7.6
256.03281	0.9
259.02396	1.1
270.01559	4.2
271.02475	31.0
272.02960	3.6
273.03937	1.7
287.01968	13.5
288.02475	2.5
298.01086	1.0
298.98822	0.5
299.01950	16.5
300.02716	28.1
301.00089	1.2
301.03442	17.4
302.03860	4.7
303.03986	1.8
315.01517	2.1
316.02216	53.0
317.02942	20.7
318.03336	1.3
463.08832	34.6
464.09161	4.4
477.06897	2.0
478.07339	2.9
479.08252	100.0
480.08582	10.1
506.28018	0.8
970.95166	0.7
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
67.59151	1.4
69.03313	4.0
71.01249	23.3
72.99183	2.3
73.02829	3.5
75.00717	2.5
80.96376	2.1
81.47405	1.5
83.01254	3.2
85.02826	4.3
87.00740	4.3
89.02321	18.3
95.01267	2.2
95.04901	1.9
97.02815	2.9
99.00771	3.7
101.02324	16.3
113.02343	8.4
116.92765	4.2
119.03400	5.0
125.02319	7.3
135.23788	1.5
143.03305	2.7
161.04431	4.3
167.10681	3.4
169.33098	1.5
179.05518	5.3
179.10631	1.8
179.14275	2.4
195.13820	10.3
205.12288	11.4
209.11736	2.9
221.06822	2.1
223.13342	100.0
224.13666	3.6
235.08218	6.3
277.21698	66.9
278.22131	4.1
287.07654	3.3
300.99554	1.7
379.12567	11.7
397.13477	53.4
398.13898	2.9
415.14560	10.6
415.19122	1.8
603.26581	9.0
621.27460	8.1
657.34973	2.0
675.36096	4.9
744.52448	1.9
881.48273	3.0
941.43915	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	941.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	4.9
70.69694	2.0
70.70029	2.1
71.01251	21.5
72.99202	1.6
73.02812	4.0
78.37538	1.0
80.96406	1.5
81.03321	1.3
83.01264	2.5
85.02832	4.8
87.00755	4.6
89.02325	15.0
95.01289	1.4
97.02839	3.5
101.02328	15.5
105.92995	1.1
113.02327	7.7
114.32385	1.4
116.92740	3.3
119.03370	6.0
125.02328	5.0
143.03365	1.7
161.04465	3.3
167.10646	3.2
179.05537	5.3
179.10614	1.8
179.14331	4.1
184.63249	1.2
195.13855	9.7
205.12267	9.1
223.13336	100.0
224.13541	5.6
230.29573	1.2
235.08200	3.2
277.21719	52.7
278.22089	3.5
282.27136	1.5
287.07837	1.8
305.08966	2.7
323.09863	2.7
379.12381	7.6
397.13495	45.8
398.13870	2.0
415.14478	10.8
472.52487	1.2
603.26569	13.5
621.27704	16.3
675.35919	4.3
727.46088	1.3
736.29840	1.5
861.49414	1.3
881.48901	3.9
939.50928	1.3
941.44543	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	941.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95503	1.0
70.37691	4.7
71.01255	2.8
77.69290	1.1
93.03349	1.8
96.34098	1.2
96.95874	1.5
107.01264	1.9
108.02094	1.3
109.02841	6.9
121.02851	3.6
123.04379	2.4
125.02343	9.0
127.06680	1.3
133.02856	2.0
135.04404	2.9
137.02345	3.0
139.03864	1.8
139.32895	1.2
148.01575	8.5
149.02298	1.3
150.03101	1.3
151.00215	3.7
151.03989	2.4
161.02310	7.0
161.23331	1.1
163.03880	2.2
165.01854	1.5
169.01338	2.7
173.02390	1.4
175.03951	3.2
177.01831	2.1
178.06148	1.1
178.99803	1.2
179.03261	1.5
187.03964	2.2
189.01840	2.5
191.05521	2.3
193.38217	1.2
195.06654	1.4
198.03288	1.4
199.03925	2.2
200.04668	11.3
201.05476	3.0
209.11786	7.0
210.12148	2.2
211.03935	2.4
216.03874	1.2
226.02597	2.1
227.03355	3.8
229.01442	1.5
243.03003	3.2
255.03163	1.6
268.00085	2.4
269.00931	3.6
271.02551	6.5
272.02896	1.2
282.86603	1.4
286.74112	1.1
289.07425	2.2
294.98862	4.7
299.99326	2.0
300.02637	10.0
300.99820	4.9
301.03452	6.0
322.05780	1.2
325.05603	3.0
345.03870	4.7
351.06528	2.7
353.04288	1.5
354.05487	1.8
355.06128	2.9
356.06915	1.7
357.03964	4.3
358.04736	1.6
362.06119	2.2
363.06531	2.1
365.04572	1.8
366.05353	1.9
367.06012	3.8
368.06754	2.1
369.03995	2.5
370.04977	1.7
371.05554	1.9
379.05856	5.8
380.06760	4.8
381.07413	1.8
383.05734	2.4
387.04510	2.2
390.05188	1.9
391.06122	3.1
394.04544	2.3
395.05450	1.8
407.05569	5.3
408.06326	2.6
419.05414	2.1
423.05011	7.4
424.05734	4.4
425.06650	3.8
433.07663	11.1
434.04022	1.5
435.05005	6.4
436.05597	2.6
437.06854	1.6
444.00995	1.6
445.02048	4.2
451.04510	4.4
452.05368	100.0
453.05975	22.1
454.06387	2.6
463.04337	3.2
464.05151	2.8
465.06104	3.0
475.04761	1.8
478.03293	10.9
479.04095	9.1
480.04858	8.3
481.05713	12.0
482.06204	3.9
491.03610	1.5
492.04941	4.9
493.05405	2.8
496.04065	1.9
507.09814	2.5
508.04172	1.5
509.05533	3.8
510.05096	1.5
555.07263	1.8
577.07593	1.3
584.07465	1.8
599.06726	1.4
601.08405	1.4
628.06354	4.1
629.07312	7.4
642.10211	1.8
645.06805	1.6
646.07440	4.8
647.08130	4.1
648.08344	1.3
692.16022	1.2
698.47394	1.4
761.11047	9.8
778.11804	75.1
779.12500	96.2
780.12750	14.0
791.12274	2.8
803.13837	1.6
809.14020	1.5
923.15173	1.9
941.17749	15.8
942.17810	5.4
962.58606	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	941.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15936	0.2
69.35863	1.9
71.01254	2.6
72.99168	0.4
73.02801	0.2
75.00745	0.4
83.01258	2.2
85.02829	1.7
87.00758	0.4
91.01745	0.2
93.03336	0.7
95.01253	0.6
98.20560	0.4
99.00771	0.6
103.00247	0.6
107.01264	7.1
108.02077	0.3
109.02836	3.9
110.59167	0.2
111.00754	0.3
113.02327	1.6
119.01238	0.5
121.02840	6.4
124.01579	0.2
125.02320	1.1
135.00723	0.5
137.02342	0.6
139.03915	0.5
149.02338	1.2
151.00266	28.1
152.00732	0.8
153.66585	0.2
159.04466	0.7
161.02345	0.7
163.00281	4.1
163.03918	0.3
164.00935	0.7
167.04970	0.3
169.01349	2.0
171.04445	0.3
173.05984	0.4
175.02391	1.9
175.03812	0.4
177.01816	0.4
178.99777	13.8
180.00136	0.3
183.04416	1.0
185.06044	0.4
187.03917	1.1
189.01822	0.2
189.05501	0.3
190.99757	0.6
192.00664	0.4
193.01331	0.6
199.03911	0.5
201.05479	0.9
203.03406	0.4
205.04865	0.2
209.94557	0.2
211.03920	2.2
213.01878	0.5
214.02638	0.8
215.03441	0.4
227.03415	1.7
228.04164	0.3
229.04999	1.7
231.02940	0.4
239.03455	0.7
240.04135	0.4
242.02216	0.4
243.02913	0.6
245.04500	2.5
255.02942	4.5
256.03687	0.5
257.04504	0.7
259.02328	0.4
270.01526	0.4
271.02499	4.6
273.03983	2.5
283.02454	2.1
284.02972	0.3
287.02011	2.1
288.02646	0.3
299.01978	0.3
300.02713	0.9
301.03503	100.0
302.00656	0.2
302.03815	5.7
315.01520	0.3
316.02213	7.8
316.99359	0.3
317.02847	2.1
354.05319	0.2
463.08804	9.3
464.08948	0.7
477.06696	79.1
478.07074	7.7
576.06781	0.2
744.80597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.457
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87354	1.7
70.87728	1.2
71.01248	10.0
72.99167	1.0
73.02821	1.3
78.95782	0.8
83.01247	1.3
83.04896	1.7
84.02044	0.8
85.02824	1.7
87.00747	3.7
89.02325	9.3
97.02841	1.2
101.02331	6.7
106.34482	0.7
113.02351	5.2
119.03387	2.5
125.02324	4.8
143.03392	1.0
161.04443	2.3
163.11230	2.2
165.01765	1.2
165.12729	1.1
171.10139	1.9
172.89705	0.9
179.03461	0.8
179.05507	4.7
195.13803	3.1
201.11185	1.9
207.10074	0.9
209.11774	60.9
210.12079	2.8
221.06606	1.7
223.13364	2.3
225.11212	1.5
227.12837	20.5
235.08231	3.5
236.42427	1.0
275.20224	2.8
287.07669	1.0
292.96689	0.9
293.21213	100.0
294.21533	8.0
295.22760	3.8
300.99908	2.4
379.12396	3.5
397.13501	40.0
398.13687	2.6
415.14557	15.7
485.32132	1.4
589.25238	2.9
607.25568	4.6
673.34460	4.4
691.35504	7.5
692.36414	1.0
774.15509	1.1
883.47369	1.5
937.24628	1.5
937.45764	29.7
938.46124	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	939.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.6
71.01223	0.6
76.51237	0.5
79.72263	0.6
80.22047	0.6
85.02805	0.5
91.70919	0.5
93.03323	0.8
97.02843	0.9
109.02852	3.0
121.02837	4.1
125.02338	1.0
137.02350	1.5
139.00259	0.9
139.03911	1.3
142.58002	0.5
149.02344	2.2
149.99469	0.7
151.00269	1.3
152.33514	0.5
153.01820	1.1
163.00301	1.4
164.01019	1.3
164.98204	2.6
165.01833	18.6
165.99068	1.3
166.02306	0.8
175.00267	1.2
175.03900	0.9
176.01022	0.6
177.98944	0.8
178.99742	1.7
181.01329	0.9
189.01801	0.8
193.01364	3.6
198.03244	0.9
199.03902	1.5
199.05855	0.6
209.11710	0.9
215.03386	2.0
226.02711	1.5
227.03345	1.5
228.04115	1.0
231.02907	1.1
241.01236	0.6
242.02007	1.2
243.02974	3.1
244.03331	0.8
245.00858	0.8
254.02185	2.3
255.02945	1.6
256.03690	0.9
259.02530	1.1
259.06018	0.8
269.04568	2.2
270.01733	3.6
270.04572	0.6
271.02460	27.0
272.02890	2.1
275.93744	0.5
285.04095	5.9
287.02002	12.2
287.05380	1.6
288.02454	1.7
298.01001	0.8
299.01956	31.4
300.02591	7.7
301.03464	3.8
313.03513	8.9
314.01413	0.7
314.04291	37.4
315.01437	21.8
315.05081	45.1
316.02103	9.1
316.05505	2.6
317.02444	0.7
317.05807	0.7
329.02902	0.8
330.03787	29.3
331.04532	30.1
332.04898	2.3
397.09235	1.2
401.08746	1.7
402.08804	0.6
461.10889	75.8
462.11224	8.2
463.11462	1.0
475.08759	0.8
476.09375	0.9
477.10410	100.0
478.10709	11.2
773.39453	0.7
926.85663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	0.3
67.01761	0.3
71.01255	1.2
71.31113	0.4
79.59282	0.2
83.01254	0.6
89.02381	0.2
95.01273	0.2
97.02802	0.3
100.48161	0.2
101.02321	0.6
103.98878	0.2
107.01270	3.0
109.02848	0.6
111.00770	1.5
113.02319	0.3
121.02808	0.6
123.00771	2.0
124.01638	0.5
124.33318	0.2
125.02338	18.2
126.02688	0.6
127.00260	0.7
131.04912	1.9
136.98727	0.9
139.00256	1.9
140.01031	2.4
141.01877	0.3
147.04436	0.3
151.00278	5.3
163.00284	0.9
168.00555	4.6
169.01338	33.4
170.01697	0.8
171.04419	0.5
173.02348	2.0
174.03139	35.3
175.03918	34.5
176.04260	1.5
177.01831	0.3
178.99747	1.5
183.04462	0.3
187.03915	2.6
188.04611	0.3
189.05469	0.7
199.03969	0.8
200.04723	1.8
201.05437	1.1
211.02393	11.8
212.02805	0.5
217.04997	7.5
218.05276	0.4
227.03430	0.5
228.04022	0.3
229.05006	5.6
230.05254	0.2
232.90965	0.2
241.03502	2.9
243.03018	1.4
245.04510	0.6
253.03532	0.4
254.02257	0.4
255.02979	4.7
256.03433	0.4
269.02728	0.2
271.02338	5.5
271.04636	18.6
272.05170	1.0
283.02460	0.4
297.06216	0.7
300.02734	16.7
301.03247	11.2
302.03857	0.8
313.05640	18.2
314.06097	1.3
331.06781	3.1
337.09497	0.2
338.48352	0.2
418.15787	0.3
447.09305	20.3
448.09668	2.3
471.09790	0.3
489.10367	100.0
490.10690	12.2
693.59485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	4.0
71.01251	27.7
73.02830	5.7
81.03339	6.0
83.04871	14.3
85.02831	18.5
87.00745	10.5
89.02331	20.3
94.32495	4.4
96.95872	5.5
97.02805	3.8
101.02324	17.5
104.12370	3.9
109.06462	3.8
113.02332	12.8
119.40190	4.1
125.02309	11.8
128.05681	3.7
168.43335	4.0
171.10176	6.9
177.12772	8.6
183.83144	4.6
221.11754	100.0
222.12067	5.2
239.12840	60.8
247.87834	3.9
255.20699	7.6
255.23253	96.9
256.23480	6.6
313.00592	4.2
326.28311	4.4
379.12521	13.5
397.13440	55.5
398.13684	4.4
415.14441	13.1
619.26184	10.6
637.26880	6.4
653.37665	4.6
743.81097	4.6
875.49994	38.9
876.50055	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	935.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.3
71.01250	12.4
71.04897	0.4
71.51360	0.2
72.99190	0.9
73.02818	2.0
75.00740	0.5
80.02538	0.7
81.03332	2.0
83.01257	1.6
83.04899	3.8
84.02038	0.9
85.02822	8.1
87.00748	2.9
89.01757	0.5
89.02312	9.2
93.03327	0.5
95.01249	1.1
95.04910	1.3
96.95877	0.9
97.02830	3.1
97.06458	2.3
99.00744	0.9
101.02321	8.7
107.04927	0.5
109.02841	0.3
111.00787	0.4
111.04355	0.4
113.02329	4.8
119.03391	2.4
121.02824	0.3
123.00816	0.3
123.08080	0.3
125.02324	3.9
125.05958	0.6
125.09621	1.1
127.11180	1.4
131.03391	0.4
135.08037	0.8
137.09625	1.3
139.03867	0.4
141.01895	0.3
143.03392	1.8
147.11717	0.3
155.10681	0.8
161.04477	1.8
163.11197	3.9
165.01768	0.4
165.12761	1.9
167.10722	0.3
167.14375	0.7
171.10172	16.8
172.10573	0.5
175.03891	0.6
177.12782	0.5
179.05518	3.2
181.12256	0.8
183.13843	2.2
185.11771	1.1
191.10699	0.7
193.12260	0.8
197.11752	0.7
201.11261	1.0
203.10655	0.4
209.11761	59.3
210.12111	3.2
211.13324	13.6
212.13701	0.7
217.07083	0.3
221.06593	1.7
221.11827	1.8
227.12814	6.5
229.01402	0.3
229.14400	10.5
230.14743	0.5
235.08202	3.5
236.08612	0.3
239.12860	1.8
244.67964	0.3
247.20641	0.5
253.09351	0.9
263.07828	0.3
269.08075	1.5
275.02032	0.7
287.07687	0.8
291.19650	4.3
300.99823	1.1
305.08679	1.5
309.20682	9.3
310.21036	0.6
323.09909	0.7
327.21744	100.0
328.22079	6.2
351.21808	0.3
379.12195	0.5
397.13474	30.6
398.13779	2.0
415.14554	15.7
416.14795	0.8
519.33289	1.3
521.35901	0.3
537.34180	0.7
545.29999	0.3
607.26282	2.4
707.34760	3.9
708.36304	0.5
725.36188	3.8
726.36316	0.4
856.77795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.7
69.43501	4.7
91.98809	0.7
95.01251	2.9
107.01264	2.4
109.02831	0.7
117.03353	1.5
119.04910	0.9
123.00769	4.1
124.01614	0.7
125.02329	13.6
127.25336	0.6
129.03316	1.1
131.04916	1.4
133.02832	1.0
135.00740	0.7
135.04488	0.8
137.02388	0.9
143.04926	1.9
145.02867	4.4
147.04463	3.5
147.05414	0.7
151.00180	0.7
157.02849	2.4
158.03557	1.0
159.04425	5.0
161.02306	2.2
162.03258	0.6
163.00278	1.2
163.03908	2.4
165.01810	0.7
169.01346	6.7
169.02785	1.1
171.04405	1.7
173.02385	5.0
173.05946	0.9
174.03194	1.0
175.03932	6.3
177.01840	3.3
181.02936	0.5
183.04503	0.7
185.02386	5.8
186.03033	1.0
187.03931	4.1
189.01842	2.8
190.02618	2.6
190.99768	1.2
191.03447	3.7
193.01332	3.2
194.99243	0.6
195.04407	0.6
197.02385	1.5
198.03050	0.9
199.03931	2.5
200.01086	1.5
201.01875	8.4
201.05649	0.9
202.02602	2.0
203.03435	10.3
205.01344	1.8
207.04649	0.7
209.06108	1.0
211.03960	0.8
213.01863	2.6
214.02678	1.4
214.99901	0.6
215.03439	5.0
216.00540	0.8
216.03920	1.0
217.01355	2.5
217.04932	1.2
218.02089	1.9
219.02881	2.8
221.04434	1.0
225.01865	2.5
226.02586	0.8
226.19708	0.6
226.99850	0.9
227.03410	5.5
228.00603	2.1
228.04156	0.6
229.01366	18.8
229.04918	1.0
230.01993	1.7
231.02954	12.8
237.05542	1.0
239.03438	1.2
241.01337	1.7
242.02139	1.8
243.02927	8.0
243.99962	0.7
244.03519	0.6
245.00937	6.0
245.04654	1.1
246.01653	1.3
247.02499	2.6
248.02925	0.7
249.03983	17.8
250.04321	0.7
251.03470	0.8
252.04338	0.7
253.01389	6.2
254.02052	1.1
255.02855	2.7
256.00061	0.7
257.00882	14.5
257.03903	1.0
257.04691	1.1
258.01651	8.9
259.02441	4.9
265.05066	1.5
266.02335	0.6
269.00812	1.4
269.04651	0.8
270.99176	1.1
271.02405	8.8
271.05045	0.7
271.99847	0.6
272.03168	2.0
273.00394	5.5
273.03983	1.6
274.01175	16.8
275.01962	100.0
276.02173	5.1
276.11520	0.6
279.02658	0.7
280.03558	0.9
281.00882	3.4
281.04303	1.1
282.01630	2.3
283.02554	3.1
283.99509	1.9
284.02756	0.7
285.03955	1.0
286.01141	2.2
287.01981	6.2
288.02695	4.7
289.03506	2.2
291.01514	1.9
295.02371	1.1
296.03497	0.8
297.00323	1.1
297.03873	1.1
298.01157	2.3
299.01932	57.8
299.99030	5.5
300.02478	4.6
300.99936	56.2
301.03452	9.3
302.00290	4.1
302.03564	1.0
303.01459	7.5
304.01880	2.0
309.04004	2.7
310.01227	0.9
311.01993	3.7
312.02597	1.3
312.99921	2.1
313.03677	2.3
314.00818	3.8
315.01422	5.1
316.01807	1.1
317.02969	12.3
319.02771	1.2
323.01981	0.9
325.03586	1.8
327.01419	3.8
328.01981	0.7
328.99442	1.3
329.02951	13.4
337.03638	3.1
339.04962	0.7
340.02139	1.6
341.02969	4.2
343.00928	2.4
347.04205	1.3
349.03540	2.1
353.02914	1.6
355.04587	1.6
365.02975	5.5
366.03494	1.2
367.04559	1.2
371.03564	0.7
383.04028	4.6
401.05020	2.4
419.05975	3.5
437.07291	1.3
463.05002	1.2
481.06320	3.9
553.06378	2.3
571.07288	7.6
573.05444	1.7
589.08752	2.8
615.06299	3.9
633.07318	39.8
634.07605	4.8
659.05365	6.4
660.05829	0.8
664.67999	0.7
783.07336	2.0
873.07910	1.6
891.09631	0.9
917.06946	1.9
934.07117	0.7
935.07941	26.7
936.08392	4.5
954.65240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	1.3
71.01248	17.9
71.50784	0.8
72.99165	2.1
73.02817	2.7
75.00728	1.1
78.95782	2.3
79.95621	2.2
80.96400	1.5
81.03311	1.7
83.01315	1.2
83.04889	5.8
85.02808	3.9
87.00746	5.5
89.02325	12.2
96.95895	2.1
97.02824	2.8
101.02314	11.1
109.06460	2.2
113.02318	7.4
119.03384	2.8
125.02299	5.8
141.01732	1.1
143.03362	1.9
161.04422	2.9
163.11186	3.4
165.12741	1.9
167.10576	1.2
171.10158	3.4
177.12718	1.1
179.05513	4.6
195.13826	8.2
197.11740	2.2
201.11226	1.4
207.10182	1.8
209.11754	82.7
210.12083	5.9
211.13368	1.6
221.06642	2.0
223.09810	1.6
223.13411	5.7
225.11308	2.3
227.12807	11.5
235.08144	4.6
259.15439	2.0
275.20145	3.7
287.07715	1.8
291.19635	5.7
293.21207	100.0
294.21509	8.0
300.99936	1.7
305.08673	1.5
309.20541	3.0
325.23615	2.3
327.21896	1.4
379.12396	3.5
397.13458	35.7
398.13651	1.9
415.14612	17.0
416.14740	1.6
607.25586	2.2
691.35425	2.9
814.91089	1.2
861.77722	1.2
915.44568	1.5
933.46674	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	933.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.1
70.26353	2.2
71.01252	15.8
71.04881	0.7
71.54594	0.5
72.99174	1.1
73.02815	2.4
80.02547	1.6
81.03328	1.5
83.01247	1.9
83.04893	7.2
84.02035	0.9
85.02818	3.9
87.00723	2.5
89.02319	11.8
93.03320	1.3
95.01261	1.3
95.04893	2.0
96.95876	1.8
97.02812	3.1
97.06451	0.9
99.00752	1.4
99.04382	1.4
101.02319	10.9
107.04903	0.9
109.02855	1.0
109.06448	2.0
109.82243	0.5
111.08038	0.8
113.02352	5.5
115.07584	0.8
119.03387	3.1
121.02812	1.4
123.00777	0.6
123.04410	1.7
123.08036	0.5
125.02337	5.2
125.05972	0.7
125.09607	2.8
127.07507	0.6
127.11130	0.7
131.03323	0.5
133.34138	0.6
135.08026	2.7
137.02345	1.6
137.09598	0.8
139.03859	0.7
139.07489	0.5
141.01820	0.6
143.03380	1.8
149.02330	0.7
153.09111	8.1
155.10622	0.8
161.02353	0.9
161.04417	2.1
163.11235	5.6
165.12718	3.0
171.08777	0.9
171.10190	16.4
174.03102	0.8
175.03902	1.2
178.09929	1.0
179.05495	4.4
181.12250	1.2
185.11734	2.2
191.05475	0.5
191.10748	2.6
191.14415	0.7
193.12186	0.7
193.29071	0.6
197.11748	3.8
201.11209	1.5
207.10188	2.6
209.11763	100.0
210.12097	6.0
211.13345	2.0
221.06668	1.3
224.95267	0.6
225.11324	1.4
227.12819	12.7
235.08252	3.1
238.11955	1.1
245.19093	2.0
253.09245	0.6
261.18616	0.5
263.20016	0.6
268.96603	0.5
273.00504	0.5
275.02011	0.9
279.19644	0.8
289.18134	8.7
291.19678	1.0
297.20691	0.8
299.99286	0.6
300.99847	2.7
301.99875	0.6
305.08862	1.2
307.19131	37.5
308.19473	2.0
309.20703	0.5
323.09531	1.3
325.20187	26.7
326.20627	2.1
327.21725	2.2
345.20731	0.9
349.81015	0.5
379.12329	2.5
391.02905	0.5
397.13492	27.4
398.13785	1.6
407.35629	0.5
415.14581	9.0
448.28821	0.5
517.32446	0.6
519.05695	0.5
551.23834	0.8
569.24609	0.6
589.24927	0.8
607.26282	1.3
687.32526	3.4
688.32715	0.8
705.33380	7.2
706.33795	1.5
719.17474	0.6
723.34564	1.9
846.38086	0.9
897.44666	4.3
898.45032	1.1
915.46002	6.3
916.46472	1.7
933.47040	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	933.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	1.4
69.03321	5.1
69.37955	0.9
69.44447	7.4
70.46616	0.8
71.01251	54.2
72.99180	4.0
73.02814	9.9
75.00773	1.4
78.95766	1.3
81.03332	3.7
83.01262	4.6
83.04884	5.5
84.02013	1.4
85.02824	13.8
87.00742	11.8
89.02315	27.2
93.03348	1.1
94.75560	0.8
95.01269	3.8
95.04881	4.3
96.95888	8.4
97.02825	14.8
97.06491	3.2
98.20613	2.0
99.00755	2.5
99.04353	1.1
101.02317	24.7
109.02837	1.9
109.06494	7.5
110.03621	1.6
111.00764	1.7
111.04374	0.9
111.08037	4.7
113.02322	17.1
115.03924	1.4
119.03384	6.7
119.04896	1.0
121.02883	1.2
121.06535	1.6
123.04356	1.4
123.08038	1.2
125.02335	13.7
125.05997	1.1
125.09625	6.7
127.03872	0.9
127.07645	0.9
127.11172	5.1
131.03418	2.5
135.08105	2.1
137.02327	1.1
137.09610	3.9
138.71094	1.2
139.03932	1.0
139.07549	2.3
141.01825	1.5
143.03404	4.9
145.04968	1.2
149.04471	1.3
149.09610	1.9
151.11194	2.3
153.09097	1.8
153.12750	1.5
155.10672	2.4
157.12154	1.1
161.04482	4.1
161.09558	2.4
163.11192	12.8
165.09174	2.5
165.12747	6.8
167.10725	2.4
169.01384	0.9
169.12265	2.2
171.10173	53.0
172.10431	1.7
177.09044	1.0
179.05551	9.1
179.10707	2.8
181.12241	6.8
185.11792	5.8
189.09151	3.0
191.14351	1.5
193.12306	2.0
193.15868	1.1
197.11760	17.9
199.13191	1.6
201.11258	41.8
202.11520	2.2
207.10210	22.3
208.10583	1.3
209.11757	41.0
210.12106	3.0
211.13327	7.1
213.11214	1.3
215.12895	5.1
221.06592	5.4
223.13225	1.2
225.11267	57.2
226.11623	2.4
227.12830	11.8
235.08183	8.8
243.12329	5.6
245.19084	3.3
247.20676	3.4
253.09224	3.2
259.62964	1.1
273.18631	2.4
275.02036	1.3
287.07663	2.0
289.18082	10.0
291.19666	41.0
292.19940	4.0
293.18015	1.2
293.21216	3.0
300.99826	1.8
305.08786	2.9
307.19156	7.2
309.20694	100.0
310.21082	8.1
323.09866	2.3
341.23334	3.3
379.12454	3.5
397.13483	55.2
398.13708	3.3
415.14551	18.3
416.15222	2.2
439.14600	4.3
457.15527	1.9
569.24445	1.7
605.24567	5.4
623.25745	7.3
689.33289	1.3
707.35248	3.7
749.35803	2.2
800.66406	1.1
915.45575	10.4
916.46259	2.7
933.46509	6.3
934.46063	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	932.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85835	7.7
66.57201	9.3
68.70825	6.3
71.01251	34.0
71.49694	12.8
72.99176	27.1
78.95782	35.2
80.96384	18.7
85.58738	7.3
87.00774	10.7
88.98679	22.8
89.02306	15.8
96.95894	34.6
105.18867	7.6
125.02341	11.1
152.99510	13.5
162.21082	7.0
165.01865	8.0
171.10283	8.4
191.05557	12.5
209.11729	21.7
223.13295	12.8
239.12982	10.9
293.21161	11.8
296.22952	10.9
309.20898	11.4
311.22211	10.0
358.14047	9.4
397.13324	11.8
398.13956	12.1
471.34729	100.0
472.35269	56.2
870.09283	8.7
872.51318	10.2
930.57776	9.5
932.43774	11.2
933.48517	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	931.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01842	24.0
71.01243	10.4
72.77531	4.7
84.62318	4.9
89.02290	4.9
95.99103	5.6
101.02312	10.9
113.02319	7.6
125.02370	7.1
169.12192	7.3
184.27637	5.4
193.41321	5.4
209.11754	100.0
210.12123	6.7
227.12901	28.6
255.23254	41.2
277.40250	5.9
278.14227	5.7
281.24567	5.6
291.95944	5.2
352.99109	5.9
379.12329	18.3
397.13409	48.9
415.14301	11.9
589.24811	13.2
635.36389	10.0
653.37158	15.4
845.48273	9.3
931.49927	45.3
932.50507	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	931.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.7
69.17088	15.2
70.92237	1.3
71.01255	4.8
74.15028	1.2
77.33956	1.1
80.39215	1.1
85.35453	1.1
89.02370	3.2
93.03362	1.8
99.04374	10.1
101.02309	6.9
107.01250	2.0
108.02079	2.0
109.02843	2.2
121.02865	2.2
125.02335	8.8
135.02905	4.7
135.04424	4.4
137.02335	1.5
151.00243	10.7
160.06340	4.8
161.02351	4.4
161.04449	4.6
161.07111	20.1
163.00305	2.4
163.03969	1.7
169.01335	2.3
173.04486	1.9
175.08672	14.7
177.01863	1.8
178.99774	5.3
179.03462	3.4
187.08722	1.8
189.01862	1.8
189.06631	45.7
191.05531	2.0
201.10368	2.8
203.03352	1.8
203.08203	22.9
203.11873	6.2
226.02689	1.6
227.03439	2.3
229.09818	12.0
243.02884	6.7
254.02185	3.2
255.02983	22.3
256.03491	2.7
271.02444	44.7
271.09528	1.3
271.99860	1.3
272.02997	4.4
277.11862	3.1
278.98346	1.4
283.02347	2.6
300.02725	95.3
300.99905	3.1
301.03452	45.9
302.03821	3.8
305.11392	31.6
306.11755	2.1
323.12448	86.9
324.12753	6.6
365.13513	14.7
385.03021	1.4
405.16656	2.9
407.07550	1.3
463.08807	100.0
464.09149	10.3
467.10382	2.1
467.16663	43.3
468.16949	4.9
472.51935	1.6
473.72769	1.3
630.23828	1.3
668.19232	1.5
690.36700	1.7
805.54706	1.9
826.17517	1.4
931.21619	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	930.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01009	16.0
68.42799	16.1
71.01264	24.1
71.74297	16.9
79.63406	15.9
79.94814	13.8
89.02291	15.8
101.02351	21.9
101.21339	15.6
106.43336	16.1
109.02830	26.7
115.00315	18.4
116.04494	16.5
125.02316	100.0
128.93581	17.9
135.04485	21.0
141.01744	15.4
147.04530	17.0
149.02341	20.1
151.03874	14.1
161.02373	23.0
169.01331	33.7
175.03911	40.6
177.01833	26.8
187.03908	20.0
191.05492	30.6
209.11737	40.5
245.57971	17.6
257.05066	19.7
289.07294	26.7
293.04581	16.5
299.99112	21.8
300.99884	78.7
411.98572	16.0
454.24426	16.2
507.07968	21.1
603.94781	16.1
644.17041	18.7
677.15924	17.1
768.29218	30.9
931.35535	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	929.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	4.2
71.51268	0.7
71.51651	0.8
72.99163	0.8
75.00729	2.1
78.95779	4.4
85.02827	0.8
85.16487	0.6
87.00728	1.5
88.98658	1.5
89.02314	1.7
93.03322	1.4
96.95839	0.8
97.02844	1.2
101.02333	2.4
113.02325	1.9
119.03364	0.8
125.02328	2.9
138.32817	0.6
161.02330	7.6
169.12195	1.4
171.10112	1.6
173.04639	0.8
174.03082	1.6
175.03914	2.6
187.00250	5.9
187.03946	1.4
189.01862	22.9
190.02148	1.6
195.13878	1.5
195.97014	0.7
197.11821	1.1
198.93983	0.9
209.11754	5.0
211.13348	1.1
221.05949	3.5
221.45366	0.7
223.13367	0.9
224.04724	1.5
225.05359	0.8
228.03493	0.7
237.05528	2.5
237.11279	2.6
239.07117	6.6
248.04924	1.6
249.05513	5.2
250.06099	1.0
251.07072	1.2
253.09351	0.9
255.12428	0.9
261.05432	0.7
265.05069	2.3
267.06558	3.3
275.19907	0.8
279.06628	5.6
280.07233	0.7
291.19641	1.7
293.21210	12.3
293.24399	0.9
300.99863	2.2
309.20776	1.5
321.24423	1.3
327.06824	1.0
335.07001	1.2
341.23190	3.7
345.03983	1.6
346.04733	2.8
351.06735	1.5
353.08011	1.2
353.56937	0.9
354.05334	0.9
355.05966	1.9
357.03973	1.5
358.04688	1.4
363.06702	1.9
364.07477	1.2
367.05829	1.2
367.10028	0.9
369.07767	1.0
371.05490	1.0
372.06085	1.5
377.08234	6.4
378.08386	0.9
379.05948	5.0
380.06796	6.6
381.07544	4.2
383.05569	8.2
384.06195	2.8
385.06766	1.7
393.31464	0.8
394.08466	2.4
395.09479	4.8
396.10257	1.1
397.07129	12.0
397.13315	1.9
398.07806	12.4
399.08310	1.5
405.07770	3.1
406.08563	1.0
408.06085	3.8
409.07019	2.7
413.10391	4.4
415.14871	1.0
423.08725	11.2
424.09131	1.4
426.07437	2.3
441.09787	100.0
442.10126	14.4
443.10364	3.1
469.33087	1.0
487.34311	88.1
488.34698	11.0
527.02649	1.0
857.44623	0.9
858.42798	0.8
902.26105	0.9
929.47083	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	927.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62098	0.2
69.03317	0.4
69.26763	1.8
69.27175	0.3
71.01266	0.3
80.15079	0.2
87.00761	0.3
88.98675	1.1
111.08031	0.3
113.09581	0.2
125.02350	0.3
132.39049	0.2
145.02852	1.2
149.78822	0.3
167.10716	0.2
179.14348	0.7
195.13829	6.5
196.14365	0.8
205.12204	0.4
209.11713	0.4
211.13326	0.6
223.13347	4.6
224.13811	0.3
228.13571	0.6
231.21156	0.3
235.13347	0.3
239.12939	0.3
256.13150	1.1
265.21686	0.5
275.20145	3.6
276.20465	0.4
293.21207	100.0
294.18228	0.5
294.21539	7.6
297.95514	0.2
300.99783	0.3
304.39218	0.2
349.17545	0.2
373.68509	0.2
444.48050	0.2
471.34763	13.7
472.35196	2.6
479.41727	0.2
633.38263	0.7
650.21906	0.2
744.65497	0.2
927.47308	0.3
940.97717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.202
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95605	6.9
80.96393	0.1
95.95112	0.1
96.95885	100.0
97.95827	0.3
110.97474	0.6
121.02837	0.2
136.01697	0.1
137.02332	0.6
151.03946	0.5
180.07759	0.2
190.35701	0.1
229.95755	0.1
230.99641	0.2
240.04146	0.1
269.05316	0.2
269.08176	1.8
270.08646	0.2
271.09781	0.1
278.02240	0.1
281.08148	0.2
283.09781	0.1
299.09280	1.2
300.09882	0.3
314.11639	1.7
315.12158	0.3
324.02753	1.0
325.03696	0.6
329.13977	0.3
359.14841	0.1
424.08307	0.4
439.10635	67.4
440.10974	6.8
463.24457	0.1
487.08783	1.1
918.58948	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	927.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	0.4
69.29017	0.8
69.29442	0.6
83.01215	0.2
93.03316	0.2
107.01254	1.3
108.02055	0.6
109.02827	0.6
117.63910	0.2
121.02826	0.7
124.01544	0.4
125.02337	0.2
135.00722	0.2
137.02316	0.4
148.01547	0.6
149.02301	0.3
151.00267	5.8
151.21815	0.1
152.00943	0.2
163.00262	1.3
163.03952	0.2
164.00986	0.3
168.97438	0.2
169.01277	0.3
178.99779	4.1
180.00145	0.2
187.03929	0.2
192.00577	0.3
199.03865	0.4
200.00208	0.2
203.03601	0.2
211.03951	0.4
214.02621	0.5
215.03490	0.3
216.04213	0.2
226.02672	0.8
227.03461	1.1
228.04121	0.2
229.05005	0.3
230.65382	0.2
239.03487	0.2
242.02148	0.5
243.02965	4.3
244.03508	0.4
245.04478	0.6
254.02190	1.0
255.02960	10.6
256.03381	1.1
259.02481	0.5
270.01608	0.6
271.02463	28.2
272.02875	2.6
273.04013	0.5
283.02383	0.6
287.01950	2.0
288.02423	0.4
299.02032	0.9
300.02728	67.5
301.03436	26.9
302.03793	1.8
316.02213	13.2
317.02859	3.6
318.03616	0.2
333.11584	0.2
343.04764	0.3
463.08792	100.0
464.09116	9.7
754.80322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	3.5
69.41650	1.9
69.42056	0.6
71.01249	2.8
75.00727	0.7
83.01257	2.4
85.02827	1.6
87.00743	0.6
88.03097	0.3
91.01765	0.4
93.03324	1.1
95.01264	0.8
99.00752	0.5
103.00226	0.5
107.00540	0.5
107.01269	8.8
109.02837	3.6
113.02319	1.1
119.01270	0.7
121.02836	6.9
124.23299	0.3
125.02314	0.5
135.00769	0.8
135.20111	0.3
137.02330	0.3
139.03891	0.7
147.04329	0.5
149.02341	1.2
151.00269	31.9
152.00586	0.7
159.04381	0.5
163.00288	4.8
164.00929	0.5
165.01797	0.5
167.04897	0.3
169.01331	1.6
171.04431	0.4
173.05937	0.5
175.02388	1.0
175.03831	0.4
178.99770	16.0
180.00174	0.6
183.04419	0.7
185.06050	0.6
187.03932	0.9
187.07594	0.6
190.99794	0.4
191.05498	1.0
192.00552	0.5
193.01215	0.4
201.05444	1.0
203.03427	0.6
205.05019	0.3
211.03967	2.0
212.04652	0.4
213.05441	0.3
214.02647	0.8
215.03322	0.3
227.03464	1.9
228.04135	0.4
229.04979	1.9
231.10266	0.3
239.03479	0.5
240.04187	0.5
242.02217	0.4
243.02975	0.9
245.04524	3.5
255.02972	5.9
256.03632	0.6
257.04492	0.6
259.02499	0.5
266.02136	0.7
270.01721	0.5
271.02484	3.9
273.04013	2.7
275.09286	0.8
283.02496	2.7
287.02032	2.1
299.02139	0.4
300.02722	0.7
301.03510	100.0
302.03818	6.5
315.01584	0.4
316.02243	6.2
317.02902	1.9
449.07281	4.8
449.13901	0.5
450.07742	0.4
477.06723	62.3
478.07108	5.4
573.80304	0.3
684.55841	0.4
755.05109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12865	13.9
98.20650	37.4
122.51553	15.2
124.43245	16.7
145.02855	65.1
266.11725	15.4
617.38544	100.0
618.38733	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	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11314	33.9
66.56622	26.1
71.01248	100.0
78.95763	33.4
98.19743	56.2
152.06157	29.9
207.10272	31.8
209.11705	94.9
229.43193	43.4
255.23286	42.9
352.25323	31.7
427.33774	33.9
721.16864	33.2
732.97888	34.8
861.08020	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11105	17.9
71.49760	26.4
78.95778	49.0
80.96378	21.4
88.98666	100.0
89.02330	26.7
96.95878	72.6
116.92706	24.6
140.98578	21.0
154.90793	18.7
157.63876	16.6
176.75212	18.1
177.67413	16.1
209.11711	31.5
225.00604	19.1
265.99438	18.2
300.99783	28.1
397.13663	19.0
433.95242	17.9
517.65515	19.2
635.74622	20.0
940.41071	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	925.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00183	1.5
68.99670	0.5
69.24755	4.6
71.01245	3.4
72.99131	0.6
83.01245	1.1
85.02823	4.0
87.00713	0.7
89.02312	0.5
95.01254	1.8
99.00736	1.5
103.00246	0.7
107.01254	2.6
108.02029	1.6
109.02781	1.6
113.02328	7.1
115.00240	0.6
117.01826	0.9
121.02810	1.9
125.02316	0.8
135.00734	0.9
136.37138	0.6
148.01555	1.3
150.99156	0.7
151.00261	10.1
159.00294	0.5
163.00240	2.9
164.00906	0.6
169.01224	0.6
172.71355	0.5
175.02382	3.6
175.03679	0.7
178.99785	5.3
183.04350	0.6
185.05989	0.7
199.03848	0.6
201.05428	0.8
211.03906	1.0
215.03430	0.6
216.04222	0.5
226.02612	1.5
227.03551	2.1
228.04172	0.5
229.04935	1.2
239.66512	0.5
243.02916	10.3
244.03552	1.4
245.04500	1.7
254.02023	2.4
255.02939	22.6
256.03372	1.7
271.02454	48.7
272.03012	5.2
273.03940	1.2
283.02408	1.6
284.03186	0.5
287.05588	1.1
299.01892	1.3
300.02716	84.6
301.03464	59.0
302.03842	3.9
315.05075	68.7
316.05560	2.8
433.07718	100.0
434.07983	7.1
440.35086	0.5
491.08255	23.1
492.08563	1.9
807.96832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97159	2.1
70.97518	3.0
71.01252	15.6
72.99172	1.3
73.02819	3.7
75.81814	1.5
78.05714	1.3
78.95805	1.6
80.18084	1.3
81.03323	2.4
83.01251	1.6
83.04894	3.6
85.02803	3.6
87.00742	4.6
89.02332	15.5
95.70652	1.3
95.71278	1.1
97.02841	2.0
99.00751	2.3
99.92424	1.5
101.02319	13.5
109.06408	1.4
110.31857	1.2
113.02346	7.6
116.92731	9.2
117.92682	1.5
119.03389	2.0
120.30627	1.3
125.02316	7.2
135.07997	1.5
143.03394	1.8
147.98544	1.4
161.04465	2.7
163.11206	3.0
165.12772	2.3
167.99512	1.7
179.05521	3.2
191.10709	1.6
209.11769	100.0
210.12048	5.1
217.07143	1.5
227.12822	8.8
235.08211	4.9
255.23270	61.6
256.23569	4.2
287.07761	2.7
305.08795	2.5
365.32126	1.2
379.12390	15.6
397.13474	44.4
398.13824	4.6
415.14813	6.9
589.24823	3.9
607.25885	2.3
653.37268	5.3
812.97052	1.6
863.49609	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	921.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59003	1.1
69.89368	1.0
70.64192	2.4
70.64571	1.8
71.01250	16.2
71.04910	1.2
72.99184	1.5
73.02829	2.5
81.03316	2.4
83.01243	1.3
85.02842	4.2
87.00737	4.9
89.02306	7.7
95.01287	1.4
97.02828	9.6
99.00751	16.6
101.02325	7.9
109.06462	1.6
113.02328	5.0
116.92744	3.1
125.02321	6.6
125.09612	4.1
142.02631	1.9
143.03329	2.0
152.99472	1.9
161.04475	1.7
163.11192	8.4
181.12251	13.9
199.13445	1.8
207.10185	47.0
208.10600	2.7
209.11766	2.9
225.11270	62.4
226.11629	2.2
235.08189	2.3
243.09914	1.2
243.12358	20.8
244.12672	1.4
255.23264	57.3
256.23572	2.9
263.07739	1.3
287.07755	1.3
379.12350	2.1
397.13342	8.3
415.14432	2.1
605.24365	14.9
606.25049	2.0
623.25391	7.0
861.48499	100.0
862.48663	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	922.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	32.4
71.49163	31.8
86.83975	24.9
89.02364	22.4
114.86140	24.8
116.92739	100.0
147.35130	25.0
223.13350	78.3
224.13676	53.4
255.23192	35.6
307.06931	27.1
397.13647	39.5
398.13971	53.8
533.75995	25.9
589.33252	32.4
627.33319	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60612	0.5
69.03315	2.0
71.01250	28.3
72.01604	0.7
72.99167	1.9
73.02811	7.2
75.00759	0.8
78.95779	2.6
79.95588	0.8
80.96383	1.6
81.03334	1.7
82.50627	0.6
83.01253	2.3
83.04881	3.0
85.02818	7.2
87.00751	5.6
89.01760	0.9
89.02314	17.1
93.03382	0.8
95.01253	2.4
95.04897	3.3
97.02835	5.2
97.06448	0.8
99.00739	2.4
101.02319	16.3
109.02825	0.9
109.06483	4.7
110.03617	0.8
111.04417	1.2
113.02320	9.7
113.09614	3.5
114.07162	0.6
119.03373	4.7
120.10462	0.7
121.02806	2.2
123.00744	0.9
125.02338	7.4
125.09618	2.1
127.11159	2.5
131.03351	1.0
135.08049	0.7
137.02316	0.6
137.09583	0.9
139.07613	1.5
139.11168	1.1
141.01804	1.4
143.03410	3.8
149.04546	0.7
149.09613	0.8
151.11194	1.5
153.09180	0.8
155.10672	2.5
157.12190	0.7
161.04446	2.5
161.09621	1.2
163.11183	7.0
165.01796	1.1
165.09076	0.9
165.12808	0.8
167.03418	1.0
167.10641	1.3
169.12279	0.8
171.10178	34.8
172.10432	1.5
179.05551	5.2
179.10692	1.7
179.14223	0.8
181.12230	2.7
185.11754	2.8
188.93111	0.6
189.09088	1.6
191.10667	0.8
195.13841	12.6
197.11736	1.8
199.09656	0.8
201.11250	31.9
202.11566	0.9
207.10204	15.4
209.11765	26.9
210.12032	1.5
215.12781	2.9
217.06985	0.7
221.06583	2.6
225.11263	40.8
226.11615	1.2
227.12831	4.0
235.08203	5.1
243.12358	3.7
253.09262	2.5
275.20139	0.8
277.21671	9.6
278.22049	1.6
287.07446	1.4
293.21219	15.9
294.21631	1.2
295.22763	100.0
296.23099	8.2
300.99875	1.9
305.08871	1.4
309.20862	0.7
319.22842	0.8
323.09766	1.1
361.11441	0.7
379.12509	3.0
397.13492	35.2
398.13803	2.9
398.18961	0.7
415.14539	15.1
439.14420	2.8
446.69016	0.7
449.32736	0.7
457.15677	1.4
551.23529	0.9
569.24432	2.0
573.81372	0.7
605.24316	5.4
608.98682	0.6
623.25317	7.5
624.25702	1.6
641.26709	0.8
901.48163	7.6
902.48578	2.0
914.51288	0.7
919.47675	6.9
920.49036	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	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.8
70.26464	2.1
71.01254	21.3
71.04887	0.6
72.01616	0.6
72.99177	1.7
73.02821	2.3
75.00718	0.6
78.95762	1.3
79.95609	1.6
80.02544	1.2
80.96382	2.3
81.03332	1.7
83.01262	2.4
83.04904	5.4
84.02043	1.5
85.02827	4.5
87.00763	4.2
88.98693	0.7
89.02321	13.2
95.01258	2.1
95.04862	1.1
96.95881	1.2
97.02831	3.7
97.06474	0.7
98.20520	0.6
99.00764	1.4
99.04389	0.7
99.08037	1.2
101.02324	13.3
103.58845	0.4
109.06469	0.8
111.08058	0.7
113.02338	6.3
113.09608	1.9
116.92751	1.2
119.03400	3.7
121.02870	0.6
123.00701	0.6
125.02340	6.5
125.05933	0.6
125.09607	0.7
127.07601	0.6
129.09114	2.2
131.03352	0.5
135.08054	1.1
137.09552	0.8
137.88838	0.5
138.09233	0.4
139.03914	0.7
139.11220	1.1
143.03444	2.9
149.02304	0.6
151.11217	1.1
161.02292	0.9
161.04457	2.8
163.11223	5.3
164.98582	0.7
165.12752	3.6
167.03432	0.7
169.01308	0.7
169.12270	1.9
171.10190	6.4
174.33946	0.5
175.03902	0.6
179.05530	3.7
181.12270	3.4
183.13867	1.0
185.04430	0.6
185.11678	0.7
188.17516	0.5
191.10712	0.6
193.12210	2.2
195.13799	1.5
197.11774	6.0
199.13348	2.7
201.11234	1.3
207.10204	1.3
209.11772	98.4
210.12099	6.0
211.13367	9.8
217.07037	0.5
221.06606	1.6
223.13475	0.5
225.00713	1.4
225.11240	2.8
225.33578	0.5
226.11710	0.6
227.12834	11.9
227.97545	0.6
228.13196	1.0
229.01387	0.7
235.08199	4.5
245.01053	0.5
253.09253	1.2
263.07806	0.6
275.01956	1.0
277.21863	0.8
287.07837	1.1
291.19623	1.0
293.21216	14.9
294.21573	1.7
295.22778	6.2
296.23209	0.6
300.99890	1.7
305.08679	1.2
309.20740	1.3
310.20926	0.6
311.22275	100.0
312.22580	6.8
323.09747	1.5
327.21664	1.0
379.12659	3.0
397.13489	36.3
398.13672	2.8
415.14548	13.5
416.15012	1.2
503.34109	1.2
607.25903	2.2
691.35199	1.3
706.59259	0.6
709.36505	2.0
919.47815	4.8
920.47681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35509	67.4
69.35924	17.3
71.01255	100.0
73.02830	11.8
75.00742	11.1
78.95763	42.5
79.95602	35.6
80.96374	43.5
87.00751	15.8
89.02308	24.8
96.95883	33.7
99.79099	8.8
101.02325	14.2
106.97961	10.4
113.02338	11.9
116.92684	16.8
125.02315	20.3
141.89603	9.9
154.53787	11.0
163.83974	8.8
169.12186	9.3
171.10097	46.8
195.13924	13.1
197.11786	14.7
201.11148	11.1
207.10202	23.3
209.11821	21.2
225.00737	14.5
225.11224	16.0
262.31064	8.9
277.21756	22.1
293.21210	43.8
294.21570	15.2
300.99814	17.2
361.98813	11.5
397.13416	27.9
844.54077	44.8
918.47168	78.3
919.47498	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06525	0.4
69.03319	1.7
71.01249	25.8
72.01563	0.5
72.99178	1.9
73.02814	5.0
75.00759	0.8
76.43549	0.4
78.95756	0.9
79.95589	0.5
80.02554	0.5
80.96381	1.4
81.03326	1.4
83.01257	1.5
83.04893	1.8
85.02824	5.8
87.00745	4.3
89.02311	12.4
89.02845	0.8
95.01252	1.7
95.04906	1.6
96.95859	0.6
97.02831	3.6
97.06452	1.1
98.19779	0.9
99.00748	1.4
101.02314	12.2
102.02683	0.4
109.02809	0.5
109.06470	3.3
110.03606	0.6
111.00753	0.9
111.04389	0.6
113.02335	6.6
113.09597	3.1
116.92750	0.5
119.03383	3.4
121.02834	1.0
125.02332	5.5
125.09574	2.0
127.11143	2.1
131.03401	0.8
135.08066	0.7
139.03873	0.4
139.07516	1.4
141.01765	0.6
143.03452	2.4
149.02382	0.4
149.09598	0.7
150.30020	0.4
151.11176	0.8
153.09091	0.6
155.10678	1.6
161.04425	2.8
163.11194	3.4
164.11356	0.5
165.01781	0.7
165.09174	0.5
165.12808	0.9
167.03354	0.6
167.10686	0.9
169.12186	0.5
171.10175	24.5
172.10497	0.7
177.12737	0.7
179.05499	3.6
179.10675	0.7
179.14381	0.6
181.12273	3.1
183.10181	0.7
185.11777	2.1
189.09171	1.2
195.13838	12.6
196.14122	0.8
197.11755	1.4
201.11256	19.7
202.11626	0.7
207.10185	10.3
209.11751	11.7
210.12128	0.9
215.12811	1.8
219.26691	0.4
221.06503	2.3
225.11259	24.7
226.11635	1.3
227.12872	1.4
235.08195	4.4
239.36011	0.4
243.12346	3.0
253.09294	2.0
259.20474	0.4
263.07846	0.6
277.21713	11.3
278.21988	0.8
287.07751	0.9
293.21207	10.4
294.21429	0.8
295.22760	100.0
296.23059	7.5
300.99725	0.8
305.08707	1.4
319.22806	0.7
323.09888	0.8
349.50446	0.5
379.12271	2.0
397.13470	25.0
398.13803	1.1
401.57150	0.4
407.86911	0.5
415.14575	11.1
439.14670	2.1
457.15732	0.9
479.33920	0.9
537.07855	0.5
569.24609	1.2
591.51294	0.5
605.24567	2.5
623.25439	3.3
641.26929	0.8
661.97784	0.5
675.35419	1.1
693.36804	1.7
901.47925	6.1
902.48193	1.5
919.48297	3.1
920.48895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24812	0.3
69.03005	0.4
69.03312	2.3
71.01252	34.0
72.99188	3.6
73.02818	8.7
75.00737	0.9
80.02545	0.9
80.96375	0.5
81.03330	2.5
82.40366	0.4
83.01272	2.9
83.04885	3.5
84.02073	0.6
85.02819	8.9
85.99960	0.7
87.00759	6.2
89.02314	19.1
93.03336	0.6
95.01273	3.0
95.04897	3.2
96.95858	0.6
97.02831	4.5
97.06476	1.1
97.18949	0.4
98.20678	0.8
99.00779	2.1
99.04395	0.5
101.02323	17.0
107.04947	0.5
109.02831	1.1
109.06480	6.3
110.03632	0.8
111.00746	0.8
111.04411	1.4
111.08031	2.6
113.02335	11.4
115.03897	0.7
118.14645	0.4
119.03397	5.8
121.02843	0.4
121.06440	0.5
123.00748	0.7
123.04388	0.5
123.08049	0.8
125.02334	8.3
125.05963	0.6
125.09613	2.9
127.03925	0.5
127.11180	3.5
128.90044	0.4
129.01840	0.7
131.03404	1.1
133.04984	0.6
135.08034	1.3
137.02344	0.5
137.09625	0.9
139.03865	1.1
139.07516	1.5
139.11183	0.5
141.01799	1.2
142.32253	0.4
143.03394	3.7
149.04405	0.7
149.09628	1.2
151.11131	0.8
153.09113	0.7
153.12674	0.4
155.10670	3.0
157.12267	0.4
161.04477	3.8
161.09602	1.4
163.07526	0.5
163.11211	7.4
163.57144	0.4
164.11534	0.5
165.09148	1.0
165.12804	0.8
167.03442	1.0
167.10677	1.9
169.12302	1.0
171.10182	40.3
172.10471	1.1
177.09117	0.5
177.12726	0.7
179.05537	5.9
179.10695	1.6
179.14301	0.9
181.12288	3.1
183.10191	0.7
185.04524	0.7
185.11797	2.1
187.09477	0.4
189.09116	2.2
195.13837	8.4
196.14464	0.5
197.11801	2.4
199.06143	0.5
199.09744	1.0
199.13350	0.8
201.11261	36.5
202.11523	1.2
203.05502	0.6
205.12277	0.5
205.15887	0.5
207.10202	19.6
208.10577	1.2
209.11774	27.4
210.12112	1.4
211.13313	0.7
213.11169	0.4
215.12823	3.5
217.07204	0.8
221.06631	3.0
223.13339	5.0
225.11273	45.2
226.11505	1.9
227.12851	4.0
228.13365	0.6
229.36229	0.6
235.08202	6.0
243.12321	4.6
253.09242	3.3
256.13120	0.6
263.07675	0.5
275.17392	0.8
275.20117	5.2
287.07629	1.9
291.19653	13.8
292.19949	1.1
293.21222	100.0
294.21582	7.2
299.14908	0.4
305.08789	1.8
309.20709	1.7
310.21097	0.4
311.22223	0.9
317.21164	0.5
323.09680	1.4
335.22415	0.6
379.12479	4.3
397.13486	40.2
398.13968	2.3
415.14554	16.5
416.14871	1.1
421.13461	0.5
439.14542	2.6
457.15231	1.9
459.30917	0.4
477.31863	1.2
555.79803	0.4
569.24487	2.0
605.24634	5.1
606.24835	0.8
623.25513	8.4
624.25800	1.3
641.26898	1.3
673.34161	1.0
691.35559	1.3
759.49139	0.4
881.45502	0.9
899.46240	7.9
900.46741	1.7
917.49219	3.5
918.46954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97960	0.3
69.03322	1.7
70.83382	0.8
71.01251	18.9
72.99178	1.2
73.02821	2.9
75.00755	0.5
80.02537	1.8
81.03323	2.1
83.01253	1.8
83.04896	5.7
84.02037	1.3
85.02821	4.9
85.99986	0.4
87.00748	3.9
89.02311	13.9
93.03333	0.7
95.01263	1.9
95.04910	1.5
96.95906	0.8
97.02825	3.3
97.06490	0.5
99.00767	1.1
101.02324	11.8
102.59490	0.3
109.06487	0.7
111.04413	0.4
111.08043	6.6
113.02329	8.0
115.03877	0.6
119.03394	3.5
122.29387	0.3
125.02338	5.5
125.05989	0.9
125.09628	0.7
125.33414	0.3
127.07546	0.8
131.03362	0.9
133.04988	0.4
135.08040	1.1
137.09549	0.5
139.03908	0.4
143.03433	2.3
149.02423	0.3
149.04382	0.5
151.11177	0.4
153.12721	0.5
161.04491	2.6
163.11189	5.0
165.12770	3.5
169.12253	3.0
171.10164	3.0
179.05559	3.4
179.10687	0.5
179.92784	0.3
181.12282	1.9
183.13835	0.6
185.11607	0.3
191.10774	1.0
193.12224	0.8
195.13823	0.3
197.11765	31.7
198.12123	2.0
199.13318	1.6
201.11273	1.0
207.10239	0.8
209.11768	100.0
210.12106	5.4
211.13336	5.0
221.06732	1.7
221.11720	0.3
223.13489	0.6
225.11266	2.2
227.12840	13.0
228.13268	0.7
235.08174	4.7
245.06520	0.4
247.20531	0.4
253.09238	1.0
263.07739	0.5
263.20157	1.9
265.18036	1.0
269.92188	0.3
273.18588	1.0
275.20059	0.4
287.07703	1.4
291.19659	16.1
292.20074	0.9
293.21207	5.5
300.99652	0.3
305.08618	1.8
309.20703	72.5
310.21042	6.4
323.09796	1.3
333.20770	0.4
352.33450	0.4
379.12476	3.2
393.21729	0.3
397.13492	39.5
398.13806	2.7
415.14563	14.4
416.14731	0.7
501.32413	0.4
536.11969	0.4
589.25677	0.4
607.26123	3.1
689.33893	0.8
707.34821	1.1
899.46466	0.5
917.46942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.0
69.80190	2.6
71.01252	45.5
71.04890	0.9
72.01581	0.5
72.99188	2.8
73.02816	6.9
75.00754	1.1
78.95770	0.8
79.85955	0.5
79.95615	0.6
80.02567	0.7
80.96383	1.8
81.03329	2.0
83.01247	3.0
83.04889	3.3
85.02822	7.5
87.00738	5.4
89.02317	18.0
93.03321	0.7
95.01270	3.1
95.04874	2.6
96.95879	1.1
97.02828	4.9
97.06470	1.1
99.00748	2.0
101.02323	17.9
107.04913	0.7
109.02849	0.9
109.06464	5.0
110.03644	0.8
111.00767	1.2
111.04399	1.0
111.08032	2.0
113.02335	10.3
115.03882	0.6
119.03387	4.4
121.02792	0.6
123.00744	0.7
123.04420	1.0
123.08080	1.2
125.02341	7.2
125.05975	1.0
125.09619	2.7
127.03934	0.6
127.11165	2.8
129.01854	1.1
131.03441	0.6
133.06516	0.6
133.53925	0.6
135.08043	0.9
137.02335	0.6
137.09596	0.5
139.03894	1.0
139.07520	1.6
139.11172	0.8
141.01822	1.7
142.02582	0.7
143.03375	3.9
149.04463	0.7
149.09605	1.3
153.09128	0.6
155.10680	2.1
157.12221	0.9
161.04462	5.1
161.09610	1.0
163.11198	7.5
165.12776	2.3
166.51721	0.7
167.03368	0.7
167.10667	1.4
169.12260	1.2
171.10176	34.7
172.10495	1.0
179.05531	5.1
179.10730	1.5
181.12228	4.4
185.04492	0.6
185.11751	2.6
189.09186	1.5
189.42642	0.5
195.13812	8.9
196.14244	0.6
197.10188	0.6
197.11752	2.8
199.09639	1.1
199.13358	0.7
201.11261	26.5
202.11633	1.6
203.05479	0.8
205.12305	0.9
207.10207	18.1
207.12178	0.9
209.11760	32.8
210.12135	2.5
211.13283	1.8
211.88051	0.6
215.12749	2.7
221.06516	3.1
223.13353	5.3
225.11275	38.2
226.11577	1.2
227.12804	3.9
228.13223	0.6
231.21086	0.7
235.08200	6.3
243.12415	3.5
247.20746	0.8
249.22359	0.6
253.09244	2.1
256.13135	1.0
265.21588	0.8
275.20132	6.2
276.20288	0.8
287.07782	1.9
291.19659	14.2
292.19986	1.6
293.21228	100.0
294.21521	7.3
300.99734	1.1
305.08838	2.1
309.20731	7.8
311.22256	1.3
317.21213	0.7
323.09729	1.4
379.12485	4.0
397.13504	37.5
398.14136	2.8
415.14548	15.2
416.14853	0.8
439.14749	2.6
457.15524	1.3
467.52869	0.6
485.33017	1.8
569.24475	1.4
605.24548	4.1
606.24774	0.7
623.25293	5.1
624.25482	1.0
641.26337	1.1
691.35724	1.7
692.35767	0.7
899.46490	7.2
900.46753	2.1
910.35693	0.6
917.47437	6.3
918.47687	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	917.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00149	1.1
67.01667	0.7
70.29047	0.7
71.01181	1.6
71.50452	1.2
83.01206	0.9
85.02772	0.8
87.00706	0.7
87.11698	0.6
90.10906	0.7
91.87636	0.7
93.03268	1.2
95.01173	0.9
99.86742	0.7
101.02247	1.2
107.01170	2.9
108.01951	0.8
109.02815	3.2
110.81364	0.6
111.00682	1.3
121.02720	2.0
122.99916	0.8
123.00740	7.5
123.04343	1.0
125.02325	9.3
134.03490	0.7
135.04288	1.9
136.98555	0.8
137.02185	2.1
139.00159	2.7
139.97522	0.7
148.01514	0.9
149.02283	0.8
151.00269	14.0
153.01704	0.8
159.04390	0.9
161.02254	0.7
163.00174	2.2
168.00494	1.2
169.01341	8.9
170.00339	0.7
170.01791	0.7
173.04349	0.9
177.01842	0.9
178.99788	5.7
179.03336	0.8
183.04277	0.7
187.03777	0.8
191.05484	1.1
201.05466	0.9
203.03406	0.8
205.04854	0.9
211.03822	1.3
226.02612	1.0
227.03381	2.0
229.04929	1.2
243.02963	5.5
245.04411	1.8
254.02112	1.5
255.02982	16.2
256.03326	1.4
258.47293	0.7
271.02460	34.7
272.02762	2.7
283.02551	1.6
283.05646	0.7
285.03882	3.8
289.07114	3.1
299.01947	1.1
300.02731	66.7
301.00180	3.1
301.03476	61.4
302.03781	3.0
321.03506	0.8
329.02808	1.0
341.06723	1.2
364.99524	1.8
433.07724	100.0
434.08130	9.6
483.18735	89.3
484.19061	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	916.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	76.2
72.30180	33.1
78.91763	40.8
79.95613	80.4
80.96376	85.1
85.02831	36.7
89.02323	53.9
95.85949	28.3
96.95911	37.1
98.19786	96.3
101.02300	39.1
101.38869	26.7
131.64412	26.5
174.85342	30.5
221.11755	35.2
223.13374	77.8
225.00938	30.5
239.12897	54.0
265.08023	32.1
270.83676	31.4
293.21106	100.0
294.21512	77.5
295.22693	96.4
296.23221	40.6
397.13721	42.1
471.34366	44.4
536.65277	34.2
831.38208	47.2
864.47821	30.5
916.47595	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00183	3.0
68.73131	0.2
89.00191	0.9
91.01764	0.7
93.03336	1.0
95.50104	0.2
97.02822	2.8
98.19749	0.3
107.01270	0.3
109.02831	1.9
121.02839	13.4
122.03165	0.3
123.04328	0.2
124.01570	0.2
125.02334	0.5
137.02333	0.3
139.03929	0.4
148.05200	0.6
149.02364	1.3
149.99504	1.3
151.00272	1.2
161.02338	0.3
163.00269	0.7
163.07559	0.9
164.01025	0.2
164.07983	0.3
165.01836	35.8
166.02168	1.2
169.01273	0.4
175.03836	0.5
183.02824	0.3
191.05403	0.3
192.00540	0.5
193.01352	5.0
205.05037	0.3
207.02893	0.8
226.02625	0.6
227.03467	0.6
228.04216	0.8
229.66649	0.3
243.02843	1.1
244.03610	0.4
254.02078	1.0
255.03024	1.2
256.03680	0.9
259.06036	0.9
269.04529	0.6
271.02448	5.2
271.05643	0.3
272.03204	1.3
283.02719	0.3
287.05634	1.6
297.04019	0.3
300.02719	9.3
301.00037	0.4
301.03073	0.5
313.03543	0.5
315.05075	100.0
316.05414	6.6
395.00742	30.3
395.06116	0.5
396.00931	2.2
666.29504	0.3
848.62537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21735	0.7
69.03328	4.5
70.37221	2.9
71.01254	24.4
71.04886	1.1
72.99168	2.2
73.02811	3.4
76.07418	0.9
80.02540	0.9
81.03323	2.5
83.01248	4.1
83.04890	4.2
85.02825	5.5
87.00750	6.3
89.02319	16.9
95.01258	2.5
95.04869	1.4
96.95888	1.1
97.02834	5.4
97.06494	3.9
99.00744	2.4
101.02319	17.2
105.33190	0.7
109.02807	1.6
109.06467	2.1
111.00714	1.1
111.04422	1.4
111.08057	1.0
113.02324	9.5
119.03383	4.5
121.06434	1.2
121.53258	0.8
123.04325	0.9
123.08036	1.6
125.02316	7.0
125.09608	4.4
131.03444	0.9
135.08061	0.9
137.02338	0.9
137.09605	1.8
139.28018	0.8
141.01775	1.3
143.03412	2.1
151.11148	1.6
153.12721	2.2
161.04428	3.2
161.09608	2.2
163.11208	6.5
165.12726	3.1
169.12212	1.5
171.10164	1.2
179.05557	4.3
179.10669	5.5
181.12152	1.4
185.11708	2.4
191.10686	1.8
191.14326	2.4
193.12389	0.9
195.13820	4.6
197.11755	51.4
198.12088	3.0
207.10216	4.4
209.11763	72.7
210.12074	3.6
211.13242	3.6
221.06592	3.3
223.09756	1.1
223.13304	2.4
225.11279	4.8
227.12820	9.3
228.13280	1.2
235.08145	5.1
241.10808	2.0
245.19116	5.2
253.09259	1.0
263.20129	1.1
275.20236	1.1
285.24573	0.8
289.18088	22.4
290.18454	1.3
291.19724	2.1
293.21252	9.4
300.99927	1.3
307.19150	25.4
308.19644	1.5
309.20660	3.5
319.37643	0.8
372.47549	0.9
379.12280	1.5
397.13458	21.2
398.14169	1.8
415.14563	8.8
461.64365	1.0
589.24493	1.0
607.26019	1.2
705.33411	1.0
799.37402	1.5
897.45135	3.2
908.36682	1.2
915.45898	100.0
916.46265	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	915.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56769	0.4
68.99674	0.4
69.03317	1.8
69.29319	1.1
69.29729	2.9
71.01250	19.2
72.99171	2.2
73.02809	2.7
80.02541	1.8
80.96384	0.4
81.03338	2.6
83.01260	2.6
83.04888	5.3
84.02036	1.4
85.02811	4.4
87.00752	4.4
89.02312	12.1
93.03329	0.5
95.01260	1.4
95.04890	1.9
96.95871	0.8
97.02824	5.0
97.06483	2.0
99.00738	1.7
101.02322	13.1
109.02834	0.9
109.06480	5.2
111.04370	1.1
111.08039	2.1
113.02333	7.5
113.05962	0.5
115.03853	0.5
119.03374	3.8
119.04852	0.6
121.02855	0.4
121.06451	0.7
123.00815	0.4
123.04391	1.8
123.08016	1.1
125.02327	5.2
125.05975	0.9
125.09635	3.2
126.90341	0.4
131.03415	0.6
135.08047	1.8
136.05186	0.5
137.09581	1.6
139.03856	0.5
139.11070	0.5
141.01762	0.8
142.02585	0.6
143.03436	2.3
149.04408	0.5
149.09601	0.4
151.11162	0.7
161.04420	3.8
161.09624	0.8
163.11180	9.9
164.11444	0.6
165.12790	3.3
169.12227	0.9
171.10162	1.4
179.05492	3.9
179.10693	0.7
181.12300	2.4
185.11754	3.6
189.12743	0.5
190.36726	0.4
191.03578	0.5
191.10686	1.7
191.14331	3.2
197.11783	8.0
199.06013	0.5
199.13297	0.7
201.11246	0.4
207.10197	14.1
208.10573	0.7
209.11761	100.0
210.12111	5.5
211.13370	1.9
217.15839	0.6
221.06627	1.8
223.09605	0.5
223.13335	0.9
225.11275	8.1
226.11682	0.6
227.12837	12.3
235.08153	4.7
237.11292	0.8
241.14381	0.5
245.06764	0.4
245.19048	6.6
247.13416	0.4
249.14885	0.6
251.12807	1.1
253.09081	0.5
263.20203	2.2
271.17065	0.9
275.01947	0.6
287.07669	1.1
289.18085	29.3
290.18494	2.5
291.19662	2.6
293.21243	1.6
296.57404	0.4
300.99960	1.2
305.08667	0.9
307.19131	28.7
308.19412	2.1
309.17285	0.8
309.20706	11.0
310.21027	1.2
323.09729	0.8
325.20117	0.6
345.20929	0.6
379.12500	2.0
397.13474	31.4
398.13687	2.0
401.23041	0.6
415.14557	10.6
499.30984	0.7
517.31512	0.7
589.24109	0.4
597.71906	0.5
605.24902	0.9
607.25885	1.3
623.25555	1.4
658.16663	0.4
705.34247	0.8
799.37708	1.8
817.38129	0.6
897.45288	3.2
898.44092	0.5
915.46179	10.8
916.46851	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	915.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.5
80.27655	0.4
81.22012	0.3
83.01250	0.6
83.35709	0.4
105.14175	0.4
107.01266	1.0
109.02818	1.4
121.02813	0.4
125.02303	1.2
125.21836	0.4
135.04391	0.5
145.02831	0.4
151.00258	4.6
161.02335	0.7
163.00266	1.2
169.01311	0.6
174.03236	0.5
175.03842	0.4
178.99806	2.3
187.03874	0.5
188.04617	0.4
189.01790	0.8
190.02576	0.6
191.03410	0.5
191.05536	0.6
199.03897	0.8
201.01788	0.5
203.03459	0.7
215.03423	0.4
216.04329	0.6
217.01257	0.4
226.02701	4.5
227.03493	2.5
228.04002	0.5
229.05051	0.4
230.21324	0.6
243.02959	9.8
244.03366	0.6
245.04517	0.5
254.02164	4.3
255.02925	5.3
256.03485	0.5
257.04138	0.4
271.02463	46.8
272.02884	4.8
275.02173	0.4
283.02579	0.4
299.02029	1.0
300.02725	51.7
300.99860	1.7
301.03378	14.3
302.03693	0.9
333.06210	0.4
341.06516	0.6
343.04376	0.9
389.33624	0.5
390.16693	0.4
451.10266	1.1
462.08112	0.6
463.08804	100.0
464.03094	0.8
464.09137	9.1
766.72821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	1.1
69.03320	7.5
70.80005	1.7
71.01249	44.8
71.04870	1.4
72.99168	5.0
73.02816	8.2
75.00742	6.3
78.95773	0.8
79.31637	0.8
81.03329	3.6
83.01241	5.6
83.04900	5.0
83.05312	1.0
85.02822	13.4
87.00741	10.5
89.02314	33.0
93.03301	1.7
94.03492	0.9
95.01257	3.5
95.04889	3.9
97.02825	8.2
97.06470	1.3
99.00734	2.4
99.04353	1.0
101.02319	31.9
106.04074	1.0
109.02824	1.4
109.06470	2.6
110.03603	1.1
111.00705	1.0
111.04401	1.5
111.08021	10.3
113.02333	16.3
113.09615	1.3
119.03389	9.8
121.02809	0.9
123.00750	0.9
123.04395	1.2
123.08018	1.0
125.02324	11.2
125.09607	1.0
131.03389	2.2
133.10168	0.9
137.02357	1.2
137.09575	1.5
139.03891	0.8
139.11201	0.8
141.01808	2.2
143.03394	7.5
149.04396	1.5
149.09602	2.2
159.11752	1.2
161.04448	7.7
161.09648	1.0
167.03317	1.0
167.10674	7.7
169.12154	1.1
171.10161	2.4
172.81625	0.9
175.11147	2.0
177.12741	9.8
179.05518	10.5
179.10703	3.8
179.14319	4.3
181.12239	1.1
183.13797	1.9
193.12206	2.8
195.13837	24.6
196.14366	1.3
197.11763	4.1
198.12170	1.0
203.10736	3.1
205.12245	8.9
209.11731	1.7
211.13329	10.5
217.07072	1.0
221.06747	4.0
221.11766	44.0
222.12068	3.3
223.13338	77.2
224.13676	6.2
235.08206	9.0
239.12851	85.7
240.13222	4.3
241.14406	1.4
247.20595	1.7
253.09151	2.9
256.13107	1.6
259.08212	0.9
263.07562	1.1
273.18759	1.0
275.20151	6.3
287.07648	2.3
291.19656	84.6
292.20053	6.0
293.21219	100.0
294.21567	8.6
300.99942	1.2
305.08633	2.2
309.20645	2.5
323.09811	2.1
361.11545	1.3
379.12448	3.7
397.13458	60.3
398.13788	3.7
415.14578	24.5
416.14487	1.2
497.33087	1.0
619.25964	8.7
620.26550	1.4
621.27228	2.5
637.27118	10.8
689.33411	1.2
895.45526	2.1
913.47791	12.2
914.48492	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	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03301	4.9
69.34339	1.2
69.34740	3.8
71.01253	23.4
71.04891	1.1
72.01569	0.6
72.99168	3.0
73.02821	4.0
76.82935	0.5
78.95815	0.6
81.03333	1.1
83.01258	2.8
83.04901	1.7
85.02825	7.4
87.00745	4.9
89.02316	18.3
95.01262	2.7
95.04890	1.0
97.02816	5.4
99.00775	2.0
101.02319	18.1
109.06465	1.1
111.00764	0.8
111.08035	10.8
112.98705	2.5
113.02332	10.2
115.00321	0.6
119.03378	4.5
121.02834	0.6
121.06509	0.5
125.02308	6.8
125.09602	1.0
129.01860	0.7
131.03403	1.5
139.03839	0.6
141.01784	0.8
142.99704	0.6
143.03348	3.2
145.01457	0.7
149.09695	0.9
151.11186	1.1
152.99461	0.6
153.09116	0.6
161.04485	3.4
163.11206	0.9
165.12769	1.5
167.10736	4.3
169.12224	2.9
171.10172	2.5
177.12737	0.9
179.05542	5.8
179.10701	1.7
179.14319	4.9
181.12308	1.5
183.13722	0.6
187.34018	0.5
193.12285	1.1
195.13829	11.1
197.11758	45.5
198.12094	1.9
199.13324	1.7
205.12280	10.0
209.11813	3.3
211.13335	7.1
217.07147	0.6
221.06622	2.7
221.11819	2.2
223.13344	91.5
224.13690	5.6
227.12791	2.6
235.08168	5.3
239.12860	0.8
247.20546	1.0
253.09261	2.9
263.20084	2.0
265.18158	1.2
273.18686	1.2
275.42426	0.6
287.07657	1.2
289.18152	1.2
291.19656	21.1
292.19882	1.3
293.21210	4.5
302.75848	0.7
305.08746	1.7
307.19159	0.8
309.20694	100.0
310.21039	6.7
323.09686	0.7
327.21613	1.4
349.85614	0.8
379.12439	3.8
397.13461	49.3
398.13931	2.7
415.14563	16.1
416.14890	0.9
515.33875	1.7
535.71729	0.6
595.26202	0.8
603.26367	4.4
621.27686	15.7
622.28192	1.6
689.33936	2.8
707.35150	3.3
913.46869	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47758	0.4
69.35232	0.5
69.35558	4.5
72.16975	0.4
72.58316	0.4
88.89568	0.5
90.02042	0.5
93.75185	0.5
94.22643	0.6
96.95891	1.0
98.20593	1.0
106.17860	0.4
125.02345	1.2
125.93307	0.5
137.02388	0.9
145.02733	0.6
145.40837	0.5
169.01357	0.7
175.03821	0.5
177.01784	0.5
178.99768	0.6
185.02324	0.8
189.01819	0.6
200.01039	1.0
201.01848	0.9
208.17567	0.4
214.02556	0.7
216.00583	1.5
228.00551	1.5
229.01270	1.9
244.00084	2.2
257.00784	1.4
271.02463	3.1
271.99582	2.1
282.98819	1.3
283.99805	0.5
287.02008	1.6
298.98444	0.7
299.99109	85.3
300.99860	77.5
302.00204	5.3
316.02200	10.3
317.02994	1.8
321.06342	0.5
394.47101	0.5
433.04092	100.0
434.04446	11.2
439.10602	0.6
479.08209	9.8
480.08255	0.7
713.49884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	1.4
69.91409	2.4
76.87265	0.5
83.01248	0.8
95.01276	0.7
99.25512	0.6
107.01257	2.2
108.02022	2.6
109.02816	2.5
109.99965	4.5
111.00738	2.1
121.02829	2.1
123.00786	0.9
124.01536	0.7
125.02337	1.6
135.00754	0.6
136.98668	0.7
137.02361	0.9
137.99448	2.4
139.00259	7.8
141.99048	0.5
143.85776	0.5
145.02820	2.3
149.02390	0.9
151.00249	10.0
152.01033	3.3
153.01738	1.1
163.00253	2.8
164.00937	0.9
164.18556	0.5
165.98979	5.8
166.99736	3.6
174.03163	0.5
178.99785	7.2
180.00076	0.6
181.27509	0.6
187.03889	0.6
194.99332	0.9
199.03900	1.3
203.03325	0.7
211.03987	0.6
215.03297	0.8
216.04213	0.8
217.01366	0.6
226.02600	1.2
227.03455	3.3
231.02966	0.9
239.03084	0.7
242.02138	1.3
243.02919	4.9
244.03633	1.0
245.04504	1.4
254.02145	0.7
255.02934	10.6
256.03394	1.2
259.02399	1.2
270.01645	1.8
271.02463	32.6
272.03049	3.5
273.03717	1.6
283.02411	0.9
287.01926	10.9
299.01950	9.5
300.02737	34.3
301.03436	26.2
302.03802	3.6
315.01459	1.6
316.02200	34.0
317.02966	38.5
318.03299	2.1
328.07208	0.6
385.55768	0.5
447.09280	59.0
448.09613	9.4
449.09946	2.1
461.10651	2.3
462.07794	1.0
462.11813	1.0
463.08759	100.0
464.09100	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	909.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	2.0
69.98833	4.7
83.01256	1.2
93.03346	2.0
102.95482	0.8
107.01285	2.6
108.02047	24.2
109.02168	0.9
109.02849	12.1
117.03352	7.7
119.04916	3.9
121.02846	3.0
125.02270	1.6
133.02870	1.0
135.00780	1.2
135.04349	1.2
145.01691	1.6
145.02850	30.2
151.00267	12.7
151.03923	1.5
152.01051	37.4
153.01831	11.2
153.20624	0.9
159.04356	1.2
163.00262	1.9
163.03908	4.2
164.00894	1.1
167.82851	0.8
167.87625	0.8
175.03780	1.5
178.99751	7.4
187.04001	1.2
193.01283	1.0
199.03851	1.3
200.16002	0.9
202.02501	1.4
213.01889	1.2
213.05382	0.9
214.02628	1.9
215.03397	1.7
227.03438	2.1
243.02875	6.2
245.04361	1.5
254.02185	1.5
255.02957	15.7
256.03418	2.0
258.01593	1.7
259.02322	1.0
263.85999	1.0
269.00842	3.4
271.02441	30.7
272.03046	2.9
273.04056	1.3
283.02457	1.6
286.01147	3.6
287.01859	4.8
297.00412	5.1
299.01901	2.8
300.02731	65.7
301.03503	53.4
302.03821	4.3
315.01544	10.4
315.07199	14.2
316.02045	2.1
316.07458	1.4
317.02963	1.7
433.07458	3.1
447.09305	100.0
448.09570	9.8
461.11325	68.4
462.06778	1.3
462.11108	5.5
463.09192	1.4
489.10547	1.2
601.03204	1.0
650.62006	1.2
689.90222	1.0
724.74133	1.1
851.86426	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	905.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	0.8
65.71731	0.5
67.84296	0.6
69.03329	1.2
78.61470	0.5
81.03339	1.0
83.01270	1.3
93.03375	0.6
95.01234	0.7
95.04900	0.6
97.02811	2.0
107.01281	3.2
108.02064	1.5
109.02832	6.9
111.00762	1.0
121.02872	1.7
123.00764	1.3
123.04396	3.3
124.01578	0.9
125.02332	48.5
126.02693	0.7
133.02992	0.5
135.00778	0.7
135.04413	0.7
137.02351	6.1
139.03926	0.7
140.01076	1.0
145.02911	1.2
146.03574	0.6
147.47701	0.5
148.01527	1.1
149.02332	2.4
151.00258	7.9
151.03899	3.4
159.04402	1.5
161.02313	0.8
161.05930	1.2
162.03108	0.9
163.00267	1.6
164.01036	1.9
165.01895	1.6
166.99738	1.2
167.03372	0.9
168.00565	1.0
169.01334	70.6
170.01726	1.6
175.03894	1.3
175.07385	0.7
178.99773	4.3
179.03427	1.7
183.04524	0.7
185.02426	0.7
187.03954	1.6
188.04622	1.0
193.01361	3.2
197.22076	0.5
199.03891	0.6
201.05588	0.7
203.07083	2.3
205.04964	2.3
211.03963	1.1
215.03516	0.6
221.08112	0.7
226.02649	1.4
227.03404	1.7
227.07120	0.9
229.05089	1.2
231.03130	0.7
239.03401	0.7
243.02917	6.7
245.04402	1.2
245.08125	5.4
254.02184	1.5
255.00258	0.9
255.02963	19.0
256.03384	1.2
271.02469	43.0
271.05914	2.9
272.02924	3.9
273.03842	0.9
274.29633	0.6
283.02402	0.8
287.05707	0.7
289.07162	27.2
290.07541	2.0
293.35593	0.5
299.01877	0.8
300.02731	78.4
301.03448	36.9
301.07007	1.2
302.03766	2.3
303.04999	1.3
331.04343	1.3
441.08231	34.1
442.08557	3.0
463.08798	100.0
464.09158	7.3
681.72577	0.6
736.43896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66128	0.3
67.17485	0.3
67.90011	0.3
69.03324	0.7
70.25746	0.3
71.01253	10.2
71.09018	0.6
72.99187	0.7
73.02815	1.7
75.00733	0.3
78.95773	0.7
79.95611	0.5
80.02551	0.8
81.03355	1.3
83.01257	1.1
83.04901	3.4
84.02029	0.8
85.02822	2.5
87.00740	2.4
89.02317	8.1
90.02723	0.3
95.01274	0.9
95.04901	0.7
96.95885	0.3
97.02831	1.5
99.00761	0.6
101.02319	7.5
111.04465	0.4
113.02331	3.9
113.09623	1.1
116.92734	0.6
119.03391	2.6
122.96185	0.3
125.02325	3.0
125.06018	0.5
126.02725	0.3
128.96819	0.2
131.03432	0.3
135.08084	0.6
139.03926	0.3
142.57845	0.3
143.03429	1.5
147.11728	0.3
161.04478	1.6
163.11201	3.4
164.79242	0.3
165.12752	1.5
171.10248	0.3
177.12688	0.3
179.05531	2.6
179.14368	0.6
181.12309	0.7
191.10706	0.9
195.13841	9.9
208.98170	0.3
209.11772	67.3
210.12164	2.4
217.07268	0.3
221.06609	1.1
227.12846	9.2
228.13191	0.5
235.08199	3.4
253.09235	0.7
263.07684	0.5
277.21722	10.1
278.22073	0.8
287.07767	1.4
293.21283	0.6
295.22778	100.0
296.23105	6.3
305.08850	1.1
323.09937	0.9
367.98099	0.4
379.12564	2.5
397.13486	25.5
398.13870	1.6
415.14560	10.6
416.14944	0.9
487.34003	0.8
505.35413	0.5
607.26056	1.5
675.35205	0.4
693.37201	0.7
722.07635	0.3
758.43628	0.5
784.53070	0.3
879.34833	0.3
903.48315	0.9
911.20831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.7
70.37291	0.5
70.37653	0.5
71.01250	13.0
71.04875	0.2
72.99174	1.1
73.02814	2.2
75.00767	0.3
78.95760	0.5
80.02540	1.1
81.03320	1.8
83.01270	1.2
83.04892	5.3
84.02047	0.9
85.02828	2.9
87.00745	2.9
88.53910	0.3
89.02312	9.7
90.02580	0.3
93.03328	0.3
95.01248	0.8
95.04902	0.7
96.95898	0.4
97.02836	1.9
97.06486	0.3
98.20265	0.4
99.00747	0.6
99.08028	0.2
101.02315	9.1
109.02779	0.4
111.00724	0.5
111.04385	0.3
113.02325	5.5
113.09615	1.3
115.03882	0.3
116.92735	0.7
119.03389	2.9
121.02802	0.3
125.02337	4.0
125.05923	0.5
125.09555	0.4
130.00632	0.2
131.03409	0.4
135.08035	0.7
139.03879	0.4
141.01848	0.6
143.03392	1.6
145.04922	0.5
161.04480	2.2
163.11188	4.9
165.12775	2.2
171.10214	0.4
177.12756	0.4
179.05510	3.4
179.14307	0.6
181.12259	0.7
190.78954	0.2
191.10698	1.0
195.13837	10.4
196.14171	0.5
199.05977	0.4
199.13472	0.3
209.11760	88.4
210.12090	5.3
211.13301	0.4
217.07106	0.4
221.06601	1.0
227.12834	9.0
228.13165	0.6
233.11987	0.3
235.08144	3.7
251.12811	0.5
253.09238	0.9
259.08252	0.3
263.07767	0.3
269.08209	0.4
277.21692	11.2
278.21976	0.8
280.02722	0.3
287.07806	1.4
293.21246	1.1
294.21530	0.8
295.22757	100.0
296.23105	8.5
300.99869	0.5
305.08936	1.5
323.10031	0.8
341.23288	0.6
379.12473	3.1
380.12955	0.3
397.13470	33.0
398.13779	2.4
415.14542	9.8
416.14853	0.7
487.34232	0.6
519.36047	0.3
589.25049	0.9
607.26019	2.7
608.26355	0.5
675.35913	0.7
688.43335	0.4
693.36969	1.0
829.50610	0.5
903.45703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98413	43.1
62.99126	19.0
71.01269	61.6
73.74575	17.3
78.95779	20.3
80.96362	40.1
81.02793	19.0
83.04859	19.0
85.02852	30.1
89.02300	43.3
98.20573	43.6
98.39147	16.3
101.02309	41.5
113.02312	27.6
116.92764	44.8
125.02314	44.3
138.13223	16.2
171.10210	42.9
175.07047	19.9
185.11897	17.4
201.11243	65.7
209.11749	100.0
211.13425	22.2
225.11276	43.0
227.12807	26.7
229.26553	17.2
277.21719	75.9
278.22089	30.1
293.21222	61.5
294.21698	42.3
383.20599	18.5
397.13486	73.5
415.14624	30.2
445.17712	16.9
534.64124	17.1
772.44116	18.0
814.27802	18.7
902.46753	36.5
917.82275	17.4
922.54193	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
71.01254	14.0
72.99178	0.7
73.02825	1.9
75.00745	0.4
80.02537	1.1
81.03322	1.4
83.01257	1.5
83.04902	4.7
84.02045	0.7
85.02817	3.2
87.00751	3.1
87.04385	0.3
89.02316	10.5
91.03854	0.4
93.03372	0.4
95.01260	1.2
95.04895	0.8
96.95892	0.9
97.02850	1.9
97.06474	0.4
99.00777	1.1
99.04424	0.3
101.02323	9.0
107.04868	0.3
109.06457	0.5
111.08075	0.5
113.02331	5.9
114.02740	0.3
116.92768	0.3
119.03400	2.6
125.02338	3.7
125.05947	0.5
129.01833	0.3
131.03394	0.5
135.08025	0.8
139.03853	0.4
141.01884	0.4
143.03400	2.2
149.04417	0.4
161.04480	2.2
163.11209	4.0
165.12788	2.0
171.10199	0.9
179.05536	4.0
179.14236	0.5
181.12250	0.8
183.13907	0.3
191.10693	0.9
195.13832	6.2
196.14462	0.5
205.12268	0.6
207.10101	0.3
209.11771	81.1
210.12115	4.8
211.13396	1.3
217.07196	0.4
221.06584	1.7
223.13339	4.7
224.13663	0.4
225.11218	0.3
225.14842	0.3
227.12836	12.5
228.13322	1.1
231.21156	0.3
235.08206	4.4
245.06651	0.3
253.09236	1.1
256.13080	0.9
263.07681	0.3
275.20145	4.5
276.20514	0.5
287.07748	1.0
291.19736	1.2
292.20035	0.5
293.21231	100.0
294.21579	7.8
305.08835	1.3
309.20721	0.8
317.21262	0.4
323.09818	0.8
335.22379	0.4
341.23422	1.1
342.23575	0.3
379.12479	2.4
397.13480	31.9
398.13797	2.1
407.19839	0.3
415.14557	12.7
416.14963	1.1
485.32986	0.5
503.33511	0.4
607.25958	1.5
608.26129	0.4
636.26263	0.3
654.27502	0.3
673.34155	0.6
691.35480	1.6
832.41400	0.5
841.45831	0.5
848.00867	0.3
901.48425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56718	0.4
68.99672	0.6
69.03335	0.9
69.87154	0.4
71.01246	13.8
71.04916	0.4
71.10712	0.4
72.99178	0.7
73.02821	1.4
80.02533	1.5
81.03329	1.7
83.01271	1.6
83.04881	5.4
84.02050	0.5
85.02805	3.4
85.28780	0.4
87.00749	3.5
89.02313	12.8
95.01265	1.2
95.04890	1.1
97.02808	1.9
98.19841	1.4
99.00739	0.7
99.60439	0.5
101.02317	9.9
111.00784	0.7
111.04391	0.5
113.02319	6.4
113.09692	0.4
119.03375	2.5
125.02308	3.9
125.05944	1.0
131.03421	0.8
135.08037	0.8
143.03387	1.7
145.36487	0.4
161.04465	2.7
163.11186	5.4
165.12766	2.1
179.05527	3.3
181.12199	0.7
191.10724	1.2
195.13829	5.6
196.14311	0.7
205.12279	0.7
209.11754	100.0
210.12076	4.5
211.13283	0.6
221.06580	1.8
223.13293	4.2
227.12814	13.3
228.13338	0.9
231.21039	0.8
235.08217	5.0
253.09225	0.6
256.13116	0.9
275.20108	4.7
287.07648	1.1
293.21194	99.2
294.21515	7.6
305.08691	1.6
323.09698	1.3
323.78687	0.5
336.02402	0.5
379.12436	3.9
397.13461	39.5
398.13663	2.6
415.14554	14.3
416.14841	0.6
558.01703	0.6
607.25879	3.2
691.35431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	0.5
70.25305	0.3
71.01248	13.7
71.04895	0.4
72.99180	1.0
73.02812	1.9
80.02553	0.9
81.03315	1.8
83.01229	1.3
83.04890	5.1
84.02032	1.0
85.02824	3.1
86.30519	0.2
87.00739	3.1
89.01767	0.5
89.02311	10.2
89.38586	0.2
93.03340	0.5
95.01241	1.5
95.04889	0.7
97.02815	2.1
97.64725	0.2
99.00747	0.8
99.04446	0.3
101.02318	9.5
109.06492	0.4
111.04449	0.4
111.08038	0.6
113.02320	5.6
113.09640	0.5
119.03377	3.1
125.02324	4.1
125.05981	0.5
131.03384	0.6
135.08040	0.9
139.03876	0.3
141.01825	0.4
143.03389	2.4
149.04488	0.4
159.02878	0.3
161.04456	2.8
163.11214	4.5
165.12767	2.9
167.10654	0.4
171.10239	0.4
177.12790	0.4
179.05525	2.8
179.14334	1.0
181.12245	0.9
185.04369	0.3
191.10593	1.1
195.13834	7.2
196.14478	0.7
205.12262	0.7
205.15910	0.3
209.11758	90.8
210.12119	4.1
211.13306	0.8
217.07158	0.3
221.06567	1.2
223.13344	5.5
224.13757	0.3
225.14809	0.5
227.12830	11.7
228.13274	0.9
229.89090	0.4
231.21155	0.6
235.08163	4.5
249.22380	0.3
251.12761	0.3
253.09270	1.0
256.13110	1.0
263.07718	0.6
265.21698	0.8
275.20142	5.3
287.07733	1.2
293.21201	100.0
294.21558	8.1
305.08838	1.5
317.21109	0.5
323.09918	1.0
350.02313	0.3
379.12457	2.6
384.65985	0.3
397.13464	30.8
398.13962	2.0
415.14548	11.4
416.14749	0.7
503.33426	0.4
607.25909	1.3
654.28082	0.3
673.34381	0.5
691.35638	1.4
745.84442	0.3
832.41302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	3.0
71.01245	0.6
73.10663	0.3
83.01269	0.3
89.00202	0.7
91.01762	0.5
93.03312	1.9
97.02818	2.5
98.19763	0.6
107.01260	0.3
109.02826	2.2
119.04893	0.3
121.02841	12.5
124.01541	0.3
125.02376	1.4
128.20348	0.3
137.02339	0.7
139.03896	0.8
147.00826	0.4
149.02338	1.5
149.99440	1.3
150.03127	0.3
151.00259	0.9
161.02362	0.4
163.00299	0.6
165.01839	34.4
166.02116	1.8
169.01344	0.8
175.03909	0.5
177.01736	0.5
179.03314	0.3
183.02859	0.5
192.00641	0.4
193.01349	5.6
194.01678	0.4
199.04022	0.4
203.03563	0.3
207.02866	0.7
226.02602	0.6
227.03441	0.7
228.04207	0.8
229.01387	0.3
229.43219	0.4
241.04929	0.4
243.02925	1.3
243.06595	0.3
244.03596	0.5
253.05122	0.3
254.02156	1.0
255.02884	1.4
256.03656	1.0
259.06021	0.9
270.99435	0.4
271.02444	4.9
272.03036	1.3
273.03769	0.4
275.01880	0.4
285.03967	0.3
287.05655	1.6
289.07245	0.5
297.03922	0.3
299.01712	0.4
299.99353	0.4
300.02713	8.2
300.99878	1.0
301.03351	0.8
313.03644	0.6
314.04309	0.6
315.05087	100.0
316.05423	9.7
317.05658	0.6
329.02991	0.4
330.03711	0.4
365.97690	0.3
395.00766	29.0
396.01135	3.2
397.00986	0.5
513.10828	0.3
532.15240	0.3
600.10461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98402	58.4
71.01267	68.2
78.95792	38.2
79.95614	63.5
80.96398	72.6
85.02869	29.0
96.95885	40.2
113.02288	24.6
116.92724	26.0
146.07085	23.2
148.99132	27.9
230.05417	26.9
277.21799	45.4
291.19388	27.3
293.21262	57.1
295.22311	25.5
311.21930	25.2
397.13416	26.1
471.34729	30.8
900.46442	100.0
901.46899	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75291	6.4
62.98399	11.0
69.91499	21.3
69.91914	15.9
71.01247	27.9
73.02808	6.6
78.95792	10.1
78.98482	11.6
79.93624	6.8
79.95606	48.8
80.96374	100.0
89.02292	16.8
94.97960	19.3
97.02826	12.7
98.20444	10.0
101.38867	6.4
104.61201	6.4
125.02318	7.0
134.97479	13.7
137.00952	7.5
148.99019	8.3
152.99519	7.7
164.98544	21.5
195.13869	6.9
197.11731	7.4
207.10143	16.3
225.00673	30.4
225.11209	9.5
253.55569	7.5
293.21237	18.8
415.14276	8.2
815.38269	35.6
900.46204	35.1
901.45984	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98396	29.6
62.99118	9.7
66.88528	8.8
71.01256	28.8
75.00736	15.9
78.91750	18.7
78.95769	15.5
78.98454	9.7
79.95602	65.7
80.96393	100.0
94.97981	22.7
101.02267	8.4
161.04410	9.6
164.98558	16.1
171.10172	15.8
207.10181	10.8
225.00677	33.5
225.11424	9.1
293.21341	12.9
295.22610	12.1
319.65430	9.0
373.87656	10.1
815.39038	27.5
900.46216	22.4
901.46753	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98407	22.0
71.01256	100.0
71.49956	11.3
78.66512	8.2
78.95784	93.3
79.95605	40.6
80.96388	92.7
85.02811	16.4
85.55914	8.1
87.00748	14.3
89.02324	29.5
94.97978	18.1
96.95903	25.7
97.02839	12.9
101.02333	27.1
113.02343	10.6
116.92752	9.8
125.02293	22.4
148.98993	12.1
152.99490	24.3
163.11212	16.9
163.67502	9.1
164.98509	21.6
168.04245	13.2
171.10231	19.1
195.13928	19.6
196.79582	8.9
197.11755	22.3
201.11304	13.7
207.10196	12.1
209.11771	76.1
210.12076	10.3
223.13287	19.3
225.00726	22.4
225.11372	27.4
227.12852	10.5
241.01270	13.4
275.20227	11.8
277.21640	24.0
291.19733	40.8
292.20026	17.6
293.21149	80.4
294.21384	11.2
295.22690	16.0
300.99725	12.3
307.19186	9.2
309.20657	11.1
397.13498	30.5
398.13574	14.2
415.14658	14.4
555.84863	13.0
740.41400	17.3
814.37744	24.4
826.48981	18.9
900.44586	55.3
901.46912	65.4
922.08948	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	899.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	6.2
71.01249	29.9
71.50646	4.9
71.51031	4.0
73.02820	7.1
78.95774	6.2
79.95632	3.9
80.96411	26.4
83.01260	6.1
83.04905	4.2
85.02825	11.9
87.00745	11.7
89.02319	15.2
94.97938	6.0
95.01261	6.6
96.95902	10.2
97.02830	5.3
101.02328	14.1
109.06488	8.3
113.02314	10.1
125.02298	12.4
161.04340	5.3
163.11191	9.6
171.10159	17.7
195.13820	11.0
197.11731	8.4
207.10191	16.7
209.11758	18.8
211.13290	15.6
221.06651	4.9
225.00583	7.4
225.11252	15.5
229.14519	5.2
253.09241	30.3
275.02023	5.1
275.20163	6.5
289.18054	7.4
291.19635	23.8
293.21191	100.0
294.21512	10.2
300.99835	11.3
307.18958	5.6
309.20691	14.6
327.21759	56.4
328.21820	4.7
372.32111	4.6
397.13461	23.1
415.14352	10.8
466.14008	4.3
563.30750	9.3
899.44525	37.3
900.46149	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	899.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03296	2.7
69.29364	0.3
69.29659	2.8
71.01249	15.3
71.04887	0.5
72.12051	0.3
72.99174	1.1
73.02814	2.1
79.95605	0.7
80.96385	1.8
81.03336	0.9
83.01258	1.7
83.04871	0.6
85.02818	3.9
85.99907	0.4
87.00749	3.2
89.02312	10.1
89.02840	0.6
93.03343	0.5
94.97967	0.4
95.01266	1.2
95.04898	0.3
97.02818	2.2
97.06426	0.4
98.19833	0.7
99.00735	0.8
101.02318	8.9
109.06499	0.6
111.00790	0.5
111.04427	0.4
113.02320	5.4
113.09614	1.3
119.03384	2.7
125.02318	4.5
131.03381	0.6
140.70041	0.3
143.03423	1.6
149.04422	0.5
149.09619	0.4
151.11287	0.4
161.04448	2.6
167.10675	2.4
169.01274	0.4
169.12192	0.4
177.12753	0.5
179.05522	3.0
179.10640	0.7
179.14311	2.7
195.13832	18.3
196.14226	1.0
197.11815	1.0
205.12280	5.5
207.10194	0.8
209.11803	0.9
217.06996	0.3
221.06667	1.4
223.13336	54.1
224.13684	3.8
227.12711	0.4
235.08144	3.1
253.09254	0.9
277.21710	12.5
278.22052	0.9
287.07715	1.0
293.21210	1.8
295.22751	100.0
296.23114	8.7
300.99835	0.4
305.08752	1.0
309.20740	0.4
319.22186	0.3
323.09702	1.0
379.12375	2.2
397.13480	27.6
398.13565	1.8
415.14536	10.1
416.14731	0.5
501.35754	1.2
603.26428	3.3
604.27051	0.5
621.27582	7.1
622.28070	1.0
675.35742	0.9
693.36810	1.9
694.37103	0.4
775.58154	0.3
899.46179	3.9
900.47443	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	899.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84171	1.0
69.25463	4.7
69.25882	4.2
71.00898	1.4
71.01252	14.0
73.02814	1.2
75.00755	1.4
76.96058	0.9
78.95771	3.1
79.95603	2.4
80.96387	4.4
81.03340	1.3
83.01191	1.2
83.04897	2.1
85.02806	3.1
87.00747	3.9
89.02316	11.0
94.97979	2.0
95.01252	1.3
97.02829	2.3
98.33021	1.0
101.02317	11.5
112.02321	1.2
113.02309	7.0
119.03376	4.0
125.02341	6.2
133.04897	1.0
136.21423	1.0
143.03372	4.2
161.04442	3.2
163.11230	2.0
165.12741	1.7
171.30795	1.1
179.05542	4.2
209.11766	100.0
210.12076	4.7
217.07254	1.1
221.06606	1.5
225.00529	1.6
227.12828	27.1
235.08189	5.9
255.23254	51.4
256.23618	3.2
284.01617	1.2
287.07886	2.5
288.64249	1.2
305.08835	2.0
323.09769	2.9
356.49344	1.2
379.12408	16.4
397.13461	67.1
398.13870	4.5
415.14319	11.2
589.24585	5.9
607.25916	4.2
635.36444	6.9
653.37659	10.7
654.38422	1.4
704.32123	1.4
813.37457	1.7
845.49170	4.2
846.48413	1.8
863.50415	1.4
880.09296	1.5
899.47607	40.3
900.48138	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	899.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04924	0.7
107.01245	1.0
108.02036	0.8
109.02833	14.2
119.04929	1.3
121.02861	1.3
123.04393	8.4
125.02279	0.7
133.02818	1.9
136.15555	0.5
139.46611	0.5
145.02858	1.1
147.04352	1.9
151.00270	3.3
151.03911	4.2
159.04387	1.1
161.02365	4.1
161.05884	0.5
162.03072	0.7
163.00278	0.6
163.03902	0.6
165.53581	0.5
175.03864	0.8
176.01045	0.7
177.01833	15.6
178.02188	1.0
178.99792	1.7
180.72736	0.7
187.03954	1.1
189.01857	34.6
190.02602	7.3
191.03419	6.4
192.83769	0.5
201.01929	0.7
203.03430	4.2
211.04019	0.9
216.00581	5.1
217.01357	28.6
218.01904	2.4
219.02910	10.9
220.02992	0.6
227.03343	0.7
231.02927	9.1
232.03429	1.0
243.02907	1.5
245.04266	0.6
255.02966	5.4
256.03458	0.7
271.02478	9.7
272.02792	1.9
273.03214	0.6
281.04315	0.7
289.07291	0.8
297.07758	0.8
299.05524	1.0
300.02722	15.9
301.03448	12.5
302.03653	2.5
303.03876	0.8
323.05569	1.9
341.06628	75.3
342.07031	5.8
353.73883	0.6
358.21536	0.6
400.16931	0.4
409.78949	0.5
415.10434	0.5
447.09286	18.2
448.09830	4.5
449.09753	2.2
450.10120	1.4
451.10315	100.0
452.10611	11.7
512.81274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99679	1.1
69.03336	1.8
71.01250	26.5
72.99175	2.0
73.02832	4.2
75.00768	1.2
78.95791	1.0
80.02538	1.3
80.96403	0.8
81.03327	3.8
83.01268	3.6
83.04898	4.6
84.02008	0.8
85.02827	6.3
87.00758	7.3
89.02315	17.7
93.03365	0.9
95.01264	2.0
95.04907	1.0
96.39994	0.6
96.95890	1.0
97.02832	11.5
97.06509	1.4
98.19830	2.2
99.00748	3.9
99.01286	0.6
101.02319	15.8
106.04151	1.3
107.04960	1.1
109.02834	0.7
109.06474	33.1
110.03625	1.5
110.06742	1.0
111.04382	0.9
111.08036	0.9
113.02330	9.3
116.92793	0.7
119.03387	5.1
120.23174	0.5
121.06469	1.9
123.00784	0.9
123.04406	4.4
125.02328	8.3
125.09616	0.9
131.03395	2.1
133.06429	0.8
135.08055	4.6
136.05186	1.6
137.02324	0.9
141.01871	1.6
142.02603	2.8
143.03362	3.3
145.10054	0.7
161.04448	4.2
161.09628	2.5
163.00294	0.6
163.11174	19.4
164.11549	0.8
167.03351	0.8
179.05492	5.4
179.10686	1.3
181.12244	7.1
189.09064	1.9
195.13829	7.5
197.11768	3.2
205.12378	1.0
207.10201	88.4
208.10551	3.9
209.11752	18.5
210.12172	0.9
211.13371	2.4
221.06589	2.2
223.13359	6.9
225.11273	49.4
226.11629	2.3
227.12823	2.7
229.43877	0.6
235.08139	5.9
239.12924	0.7
243.12332	2.3
253.09245	1.7
263.07639	1.1
275.20233	4.1
287.07709	1.5
291.19669	12.7
293.21213	100.0
294.21509	6.8
299.15036	2.2
301.00021	0.8
305.08801	1.4
307.19028	0.9
309.20724	1.1
323.09845	1.4
358.93802	0.7
360.88510	0.8
375.28690	0.8
379.12543	3.5
397.13480	42.1
398.13687	2.5
415.14502	18.2
416.14609	0.9
457.33350	1.0
461.19815	0.7
501.32141	0.7
587.23047	1.4
605.24487	10.0
606.24890	0.9
623.25555	10.1
673.34448	1.2
691.35016	2.0
701.44586	0.8
702.02002	0.7
801.40289	1.2
870.16864	0.7
881.45154	3.9
899.46375	58.3
900.46631	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	898.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98403	14.6
65.90936	11.3
71.01285	27.9
71.41447	19.9
73.02829	14.1
75.00734	64.5
78.95791	17.8
80.96379	56.8
87.00742	14.8
89.02312	19.0
101.02293	15.9
125.02362	13.0
162.28458	12.2
171.10127	14.2
197.11647	14.8
201.11314	32.2
207.10298	15.1
209.11859	18.2
225.00633	11.9
225.11188	26.2
255.23256	30.8
293.21265	28.2
309.20679	16.3
311.22198	15.7
397.13205	17.2
404.60098	11.3
415.14368	13.7
629.83392	12.5
664.97955	12.2
854.23914	14.8
898.50848	100.0
899.45685	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98390	24.5
70.82591	31.7
71.01254	42.8
75.73610	15.5
78.95766	24.2
79.95594	16.7
80.96385	46.1
85.02840	27.3
89.02300	33.0
94.37785	11.7
95.01240	14.4
96.95893	13.4
101.02329	21.9
109.06404	22.0
113.02287	17.9
125.02327	24.7
189.79353	13.5
195.37027	14.3
197.11794	13.3
207.10204	40.1
209.11745	36.4
211.13243	12.4
218.49045	13.2
225.11267	45.5
227.12993	13.7
235.08235	18.2
247.78972	13.8
252.00029	13.4
253.09352	28.4
255.23140	18.3
271.99786	14.5
289.18085	15.4
290.18533	14.8
291.19705	16.0
293.21252	100.0
308.19257	22.0
309.20505	21.6
310.20929	14.8
397.13519	39.0
681.32062	16.1
898.46503	15.1
899.45264	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55744	2.9
71.01250	12.9
71.51260	4.2
72.85314	2.5
85.02817	5.0
86.25974	2.7
87.00740	5.0
89.02313	9.2
90.95521	2.5
97.02847	3.6
101.02315	7.4
105.62389	3.1
111.08031	8.1
113.02335	7.1
113.09579	6.0
120.52356	2.7
136.32909	2.6
152.26569	2.8
154.68890	3.1
161.04533	3.1
165.12750	2.7
169.12219	4.7
195.13834	5.6
197.11786	39.2
211.13371	8.8
223.13358	24.0
235.08286	3.7
253.09302	21.7
263.20325	3.2
291.19641	31.1
293.21213	34.7
309.20715	100.0
310.21002	9.9
397.13409	12.2
415.14374	4.0
482.48920	2.8
545.29657	7.4
691.35004	3.9
695.17169	2.9
897.44324	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	897.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99135	2.2
70.97517	3.7
70.97858	3.8
71.01244	9.4
73.02808	2.4
78.95780	2.0
80.96378	2.9
83.01254	2.4
83.04900	2.3
89.02296	7.0
97.02853	3.0
99.42132	2.0
101.02329	8.2
111.08009	12.0
113.02293	4.0
113.09564	4.9
125.02303	3.5
161.04504	2.0
164.71532	2.4
169.12236	3.8
171.10123	3.5
179.05424	1.9
179.10701	3.1
181.12277	2.3
181.49847	1.9
182.42790	2.0
183.13950	2.4
191.48976	2.5
197.11760	55.1
198.12112	3.9
199.13315	3.7
209.11694	3.2
211.13359	9.7
223.13371	16.3
227.12912	3.7
235.08173	3.8
235.17041	2.1
253.09248	17.7
291.19672	29.0
292.20023	5.0
293.21188	25.0
294.21359	4.2
309.20676	100.0
310.21005	6.3
312.14041	3.1
354.94632	2.0
397.13443	9.5
398.13644	2.4
415.14188	3.4
527.28943	2.8
545.29517	4.8
612.35516	2.3
738.08228	2.4
888.50977	2.3
897.44788	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	897.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99707	1.0
69.03323	1.0
71.01253	100.0
71.50713	0.6
71.51119	1.0
72.01599	0.7
72.99179	3.4
73.02818	3.7
75.00746	32.9
78.95778	1.1
79.95618	0.8
80.96386	1.5
81.03320	1.5
83.01269	3.0
85.02814	5.7
87.00743	5.8
89.02316	14.6
95.01242	2.9
97.02834	4.2
99.00756	1.7
101.02325	17.4
109.06473	5.2
111.04370	0.9
113.02342	9.2
118.04282	0.6
119.03370	4.8
120.67706	0.6
125.02346	7.5
125.09643	1.4
127.11179	1.8
139.03871	0.7
143.03377	4.5
153.09229	0.6
155.10722	0.8
161.04466	3.7
161.09566	0.7
163.11157	2.8
167.03506	0.7
171.10181	52.9
172.10539	1.9
177.12735	0.8
179.03665	0.6
179.05550	3.9
181.12242	1.8
185.04520	0.8
197.48604	0.6
198.87431	0.6
199.09654	8.2
199.11366	0.8
199.13278	1.1
201.11238	9.6
207.10201	14.2
208.10701	0.6
209.11815	1.1
215.12975	0.9
217.07132	1.2
221.06682	1.8
221.11841	3.5
225.11285	10.2
235.08177	5.1
237.68414	0.6
239.12827	0.8
243.12411	1.5
245.06636	0.7
253.09261	1.6
255.23274	64.7
256.23615	5.5
263.07675	1.1
277.21707	1.7
287.07800	1.3
291.19705	1.0
293.21182	3.3
305.08783	2.0
309.20850	1.3
311.22400	0.6
323.09720	0.9
348.02371	0.6
379.12338	4.8
397.13504	39.1
398.13724	3.5
415.14471	10.4
416.14948	0.8
579.23016	0.9
597.23584	0.8
605.25153	0.8
653.37543	1.1
785.33740	0.7
835.47632	1.8
836.46973	0.9
861.48511	7.3
862.49341	2.4
879.49738	1.6
897.50702	10.8
898.50262	3.2
915.25085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99642	1.3
69.03329	2.0
71.01253	100.0
72.99168	4.3
73.02809	4.1
75.00748	3.5
78.95775	4.3
79.20444	1.1
80.96427	1.8
81.03294	1.6
83.01247	2.7
83.04881	2.5
85.02822	6.3
87.00752	5.4
89.02312	18.8
95.01271	2.4
97.02814	4.0
99.00755	2.7
101.02323	16.0
109.06464	6.2
113.02334	9.8
116.45466	1.3
118.51746	1.3
119.03366	5.0
123.08040	1.2
125.01577	1.3
125.02344	7.8
125.09580	2.4
127.11162	3.5
131.03448	2.1
135.07999	1.2
137.09697	2.0
143.03401	5.0
155.10661	1.5
159.53799	1.4
161.04446	5.6
163.11198	7.2
169.24345	1.2
171.10184	47.3
175.03845	1.5
179.05545	4.8
181.12267	3.4
199.09686	12.3
199.13359	1.4
201.11246	17.8
204.03996	1.2
207.10193	26.7
209.11786	2.0
221.06535	1.5
225.11258	17.0
235.06113	1.4
235.08089	8.2
241.01295	1.4
243.12267	2.6
253.09215	1.6
255.23271	82.1
256.23578	5.1
287.07611	1.5
305.08618	1.7
379.12546	5.8
397.08398	2.6
397.13489	40.2
397.18616	2.6
398.13727	2.9
415.14511	9.1
605.24048	2.2
623.25952	1.5
835.47406	2.9
861.48560	13.8
862.49640	2.5
879.49548	3.5
897.50348	25.0
898.51550	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	897.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41236	0.2
69.03309	3.5
70.52250	0.7
70.52583	0.3
71.01253	17.0
71.04895	0.6
72.01620	0.3
72.99174	1.5
73.02810	2.6
74.77728	0.3
75.00729	0.4
81.03316	0.8
83.01261	2.0
83.04900	0.6
85.02814	4.1
85.03289	0.3
87.00751	3.6
87.04459	0.3
89.02319	13.6
93.03323	0.6
95.01288	1.3
95.04893	0.6
97.02841	2.2
97.06475	0.5
98.19843	0.3
99.00784	0.7
99.04426	0.3
101.02319	10.9
105.43427	0.2
109.06483	0.6
111.00774	0.5
111.04428	0.3
111.06477	0.3
111.08025	0.5
113.02332	6.3
113.03083	0.5
115.03915	0.3
119.03379	3.4
125.02347	4.9
125.09605	0.3
131.03362	0.6
135.11578	0.3
139.03911	0.3
141.01851	0.4
141.09106	0.6
142.09508	0.3
143.03406	2.3
149.04482	0.4
149.09639	0.5
153.16545	0.3
153.82259	0.3
161.04427	2.8
161.13335	0.5
167.03447	0.3
167.10687	2.9
177.12798	0.7
179.05531	3.8
179.10687	1.0
179.14330	3.6
185.04553	0.4
185.70300	0.3
195.13835	15.9
196.14305	1.4
205.12274	7.7
205.15985	0.4
211.13353	0.4
217.07149	0.4
221.06570	1.8
223.13344	70.8
223.92740	0.3
224.13692	4.0
225.14940	0.6
228.13567	0.5
235.08179	3.9
253.09229	1.2
256.13177	1.0
263.07611	0.7
265.14471	0.6
265.21701	0.4
275.20151	5.4
287.07736	1.0
293.21213	100.0
294.21521	8.1
305.08728	1.4
317.21164	0.4
323.09796	0.9
379.12433	2.9
391.92117	0.3
397.13477	32.6
398.13754	1.9
415.14575	13.1
416.14838	1.1
499.34100	1.0
603.26630	3.7
604.26367	0.4
621.27643	8.6
622.27814	1.2
636.25592	0.4
673.34418	1.1
674.33856	0.4
691.35339	2.1
692.35547	0.4
823.42029	0.3
828.42053	0.5
896.37164	0.3
897.48785	1.9
898.49353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27899	0.5
67.65672	0.5
71.01256	4.4
72.84965	0.5
80.60590	0.5
80.96376	0.8
83.01254	0.8
83.04879	1.3
85.02808	0.8
87.00751	5.9
88.00282	4.0
88.01088	0.7
88.98676	100.0
89.02315	34.2
89.99011	1.4
97.02831	0.7
101.02324	3.1
109.02853	0.5
113.02322	1.8
119.03353	0.7
125.02351	1.6
143.03439	1.1
152.21181	0.5
161.04492	0.9
163.11153	0.9
179.05534	1.0
209.11771	25.3
210.12112	2.1
221.06647	0.8
227.12833	3.1
235.08197	2.3
253.09264	0.9
255.23264	15.2
256.23709	0.9
259.15616	1.3
282.33673	0.5
293.21216	2.1
305.08902	0.9
323.09897	0.8
379.12488	2.7
397.13467	11.0
398.13525	0.7
415.14484	2.5
473.40329	0.5
653.37781	1.2
895.49164	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	895.528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	17.3
71.21372	1.4
71.21716	3.6
71.61954	1.6
72.99178	6.7
73.02844	2.4
75.00743	18.0
78.95772	1.7
80.96381	3.6
81.03352	3.4
83.01254	1.9
83.04905	5.1
85.02839	4.0
87.00759	4.8
88.98679	16.8
89.02314	16.8
91.68587	1.4
97.02885	2.3
101.02324	12.7
113.02337	6.6
119.03369	2.8
125.02369	5.3
143.03464	2.0
161.04413	2.5
163.11235	3.7
165.12639	2.2
179.05496	3.8
209.11772	100.0
210.12106	4.9
221.06621	1.9
225.00711	2.4
227.12787	13.3
235.08257	5.6
249.35197	1.5
255.23262	60.1
255.25972	3.2
256.23581	3.0
293.21191	7.6
323.22302	7.8
379.12485	10.4
397.13483	44.9
398.13885	2.8
415.14651	8.7
437.16504	2.2
537.45172	1.7
591.10602	1.7
895.47675	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	895.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87905	1.2
69.03318	2.8
71.01268	10.8
73.02821	2.3
78.95805	2.5
80.96417	2.1
83.01276	2.1
83.04893	3.6
85.02831	4.1
86.71651	1.4
87.00761	3.6
89.02315	7.4
95.04946	1.5
97.02836	4.1
97.06476	5.0
98.19818	5.5
99.00827	1.6
101.02316	7.6
109.06482	1.7
111.08044	12.2
113.02323	5.5
113.90707	1.6
114.08079	1.6
119.03375	3.1
120.59502	1.7
121.06461	1.5
123.04371	2.6
123.08030	3.0
125.02332	2.5
125.09613	5.6
135.08063	2.3
137.09627	6.2
160.90079	1.6
161.04550	3.6
163.11241	7.8
165.12764	3.9
169.12247	7.7
171.10185	4.5
179.10573	1.8
181.12254	4.2
185.11726	9.5
191.10721	2.1
191.14384	10.0
197.11758	64.6
198.12061	3.3
199.13336	7.4
207.10231	3.9
209.11763	17.8
211.13321	15.0
225.11327	2.1
227.12761	4.5
229.32259	2.2
235.08224	6.4
237.11382	3.5
245.19131	16.9
247.20605	2.2
253.09271	32.8
255.23314	4.9
263.20111	6.4
265.18021	1.9
271.16937	3.3
289.18091	87.6
290.18436	6.6
291.19656	38.6
292.20105	2.7
300.99921	3.6
307.19147	81.9
308.19263	7.9
309.20703	100.0
310.20874	7.6
311.21909	2.3
397.13461	4.1
473.52029	1.5
495.26804	1.8
525.27057	1.8
543.28296	3.6
545.29907	3.9
613.77527	1.7
895.48267	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	895.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89452	1.6
69.03291	2.2
69.99876	6.1
71.01247	10.0
72.99179	5.1
73.02804	1.8
78.95757	2.6
83.01257	3.9
83.04888	2.6
85.02835	2.9
87.00764	9.1
89.02313	6.3
95.01248	1.6
97.02824	5.0
97.06474	5.2
101.02335	9.2
109.06474	3.3
111.08060	12.2
113.02287	3.4
119.03339	2.3
123.04375	2.6
123.08068	1.6
125.02296	2.9
125.09583	4.2
137.09599	4.2
147.69244	1.7
151.11156	2.1
161.04410	2.9
163.11172	6.2
165.12752	3.1
169.12286	5.5
171.10176	3.8
179.05482	1.8
179.10684	1.6
181.12242	2.9
185.11746	5.6
191.10503	1.9
191.14352	7.9
197.11749	64.6
197.13568	3.4
198.12175	2.5
198.61931	2.0
199.13387	4.3
207.10216	2.8
209.11751	19.9
211.13315	9.9
217.15892	1.8
220.44507	1.5
224.04492	2.0
227.12852	5.0
235.08174	4.8
237.11177	3.4
240.04247	1.8
243.49356	1.6
245.19057	13.1
253.09264	37.1
254.09503	1.9
255.23213	7.3
263.20163	12.8
263.64429	1.6
289.18073	73.5
290.18506	4.9
291.19635	27.9
292.19931	2.5
293.21216	2.7
301.00003	1.9
307.19128	78.5
308.19385	7.0
309.20703	100.0
310.21014	6.4
397.13428	2.4
445.20508	2.4
520.14673	1.9
525.26660	3.1
543.28204	4.4
545.29675	3.9
835.48480	1.9
895.48779	7.9
896.46844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	0.6
97.02814	0.4
107.01230	0.3
108.02041	0.4
109.02834	1.5
109.50311	0.3
121.02846	2.8
141.60202	0.3
149.99464	0.4
151.00275	0.7
156.71968	0.3
165.01840	8.8
173.04533	0.3
187.03867	0.5
192.81500	0.3
193.01334	1.6
193.02820	0.3
199.03912	1.1
207.02853	0.4
209.11801	0.5
209.30855	0.3
215.03433	0.9
226.02631	0.9
227.03418	1.1
228.04121	0.6
243.02890	3.0
254.02156	1.7
255.02975	2.3
256.03589	0.5
257.04440	0.4
259.06116	0.4
269.04529	1.4
270.01514	0.5
271.02469	35.6
272.02823	3.1
285.04010	1.7
287.05579	0.9
297.03955	0.4
299.01950	56.0
300.02557	9.2
301.03012	0.5
314.04309	64.3
315.05063	44.9
315.08936	0.6
316.05429	2.5
447.09293	100.0
448.09659	9.0
450.09415	0.3
462.72379	0.3
722.19891	0.3
754.52167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	0.6
69.92728	1.9
93.03333	0.6
97.02814	0.9
107.01227	0.4
109.02822	2.3
121.02826	3.7
139.00377	0.4
147.00787	0.4
149.02370	0.4
151.00179	0.5
163.00333	0.5
165.01839	13.3
165.03250	0.8
166.02255	0.5
166.67796	0.3
175.03972	0.8
187.11519	0.4
193.01321	2.6
199.03893	1.2
203.03363	0.7
209.11813	0.9
215.03421	0.9
222.80420	0.4
226.02646	1.4
227.03447	2.1
228.04106	1.1
243.03006	4.5
254.02139	2.3
255.02927	3.0
256.03616	0.5
259.06061	0.6
269.04535	1.4
270.01596	0.6
271.02463	42.8
272.02966	3.8
285.04025	1.5
287.05545	1.1
297.04053	0.8
299.01941	57.7
300.02582	12.1
301.03006	0.7
314.04303	59.8
315.05063	64.2
316.05496	4.3
335.05695	0.5
373.35120	0.4
423.41446	0.4
447.09286	100.0
448.09622	10.4
627.78308	0.4
759.65454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02256	0.6
65.00172	1.1
69.22485	4.3
71.01244	4.5
72.99181	0.4
77.42039	0.4
83.01246	1.1
85.02821	2.9
87.00740	1.2
89.02345	0.5
93.03312	1.5
95.01244	1.4
99.00751	1.8
103.00214	1.0
107.01243	3.0
107.94662	0.4
108.02033	1.0
109.02821	1.9
113.02330	6.5
115.00237	0.6
117.01807	0.8
121.02821	1.5
125.02319	1.9
132.94119	0.5
135.00769	1.2
135.04311	0.4
136.44243	0.4
137.02379	0.9
143.04921	0.6
148.01541	0.9
149.02292	0.6
151.00258	7.1
153.01851	0.8
159.04413	0.9
161.02341	0.7
163.00269	2.6
164.01060	0.9
169.01303	1.0
171.04410	0.6
173.02290	0.7
175.02419	3.0
175.03839	0.6
176.70547	0.4
178.99780	4.4
183.55695	0.4
185.05983	1.7
187.03906	1.9
189.05476	1.2
195.04416	0.7
197.06090	0.6
198.62764	0.4
199.03864	0.9
201.05379	0.7
211.03944	1.3
213.05489	1.0
214.02664	0.5
214.06003	0.5
215.03474	1.3
216.04114	0.7
219.71391	0.4
226.02650	0.9
227.03468	3.9
229.05019	6.3
239.03349	0.9
240.04077	0.5
241.05072	1.0
243.02953	6.9
244.03255	0.5
245.04501	0.6
254.02173	1.3
255.00255	0.9
255.02953	18.4
256.03506	1.5
257.04489	3.7
270.98990	3.4
271.02438	37.8
271.99966	0.5
272.02856	3.4
284.03421	0.6
285.04025	57.6
286.04459	3.7
298.98334	7.0
299.01532	0.8
299.99094	25.9
300.02734	74.1
300.99609	3.0
301.03381	19.6
301.06958	1.0
302.03839	0.8
314.00674	3.9
315.01477	18.8
316.01819	1.4
433.07721	100.0
434.08044	9.4
447.05606	39.0
448.05966	3.9
461.07169	25.2
462.07611	2.9
507.41092	0.5
559.04559	0.6
587.04785	1.8
749.10492	0.5
763.08093	0.5
895.15808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	0.2
65.00185	2.9
73.72833	0.2
87.00760	0.2
89.00197	0.7
91.01770	0.6
93.03329	1.2
96.95879	0.2
97.02828	2.4
98.19802	0.6
107.01270	0.2
109.02838	1.4
121.02839	13.3
122.03180	0.6
124.01524	0.3
125.02326	0.4
139.03931	0.5
147.00752	0.2
148.01608	0.3
149.02341	1.1
149.99466	1.3
150.39987	0.2
151.00291	1.0
161.02374	0.3
163.00269	0.6
165.01837	34.0
166.02165	1.2
169.01218	0.2
178.02563	0.2
179.03387	0.2
183.02956	0.3
190.99692	0.2
192.00578	0.4
193.01364	5.2
194.01588	0.2
207.02937	0.7
226.02693	0.4
227.03362	0.3
228.04156	0.9
229.75441	0.2
242.02252	0.2
243.02866	1.1
244.03635	0.5
254.02127	0.7
255.02895	1.1
256.03696	0.7
259.05972	0.9
269.04630	0.4
270.01794	0.2
271.02460	4.8
271.05493	0.3
272.03217	1.2
283.02512	0.2
285.04153	0.3
287.05609	1.5
300.02731	7.8
301.03146	0.6
313.03470	0.6
314.04337	0.2
315.05090	100.0
316.05389	8.0
317.05850	0.2
395.00748	28.7
396.01120	2.5
667.75732	0.2
818.14777	0.2
888.00153	0.2
895.27209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	3.2
71.51367	0.4
80.77494	0.2
87.10546	0.2
89.00214	0.9
91.01749	0.7
91.75603	0.2
93.03344	1.7
97.02827	3.3
100.29285	0.2
109.02814	2.4
121.02838	16.0
122.03175	0.3
123.00826	0.3
123.04385	0.6
125.02277	0.6
127.73174	0.3
135.02890	0.3
135.04472	0.3
137.02347	0.5
139.03917	0.8
149.02344	1.4
149.99501	1.4
151.00311	1.4
161.02342	0.8
163.00270	0.7
164.00980	0.4
165.01831	42.2
166.02208	1.5
169.01263	0.3
183.02914	0.4
191.05533	0.7
192.00560	0.4
193.01357	5.4
194.01704	0.3
200.04633	0.3
207.02925	0.8
211.03970	0.3
223.04008	0.4
226.02615	0.6
227.03371	0.6
228.04208	0.9
239.03316	0.5
242.02261	0.3
243.02840	1.1
243.06676	0.3
244.03606	0.5
254.02132	1.0
255.02979	1.2
256.03751	0.9
259.06137	1.1
267.03006	1.2
268.03574	0.9
269.04498	0.6
271.02441	5.4
272.03168	1.6
282.01654	0.4
283.02454	0.6
285.04034	0.3
287.05609	2.1
295.02451	8.1
296.03107	2.9
297.04147	0.4
300.02722	9.6
300.99951	0.4
301.03064	1.0
308.07108	0.2
309.04010	0.3
313.03516	0.7
315.05075	100.0
316.05411	8.4
323.01895	1.0
323.06815	0.2
325.03537	0.4
328.02090	0.3
334.04648	0.3
337.03784	0.3
352.05807	0.5
366.23694	0.2
385.60199	0.2
395.00745	28.6
396.01074	2.9
447.07169	24.7
447.13739	0.4
448.07596	2.6
459.62848	0.3
526.11139	0.7
587.97302	0.3
659.60217	0.3
797.86566	0.3
895.22900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03294	0.8
71.01253	17.8
71.41957	1.0
71.68913	0.6
72.99171	1.1
73.02806	2.0
78.95753	1.7
80.02551	1.1
80.96371	1.4
81.03324	1.5
83.01255	2.2
83.04896	4.9
85.02833	3.8
87.00736	4.0
89.02314	13.3
95.01274	1.0
95.04896	1.0
97.02818	3.1
99.00769	0.9
101.02318	14.0
101.32683	0.6
113.02323	9.4
113.45461	0.6
119.03374	3.8
125.02313	6.9
135.08041	0.7
139.75206	0.6
143.03383	2.6
145.04582	0.6
161.04466	2.5
163.11235	3.6
165.12737	2.9
177.20561	0.7
179.05519	2.8
191.10732	1.0
209.11758	100.0
210.12096	5.2
221.06592	2.1
227.12807	10.4
228.13170	0.7
235.08231	4.7
241.46448	0.7
254.00420	0.6
255.23335	0.8
283.26410	59.2
284.26712	3.8
287.07770	2.1
305.08743	1.9
323.09708	1.0
379.12448	7.1
397.13461	39.3
398.13712	2.5
415.14499	7.9
416.14920	0.7
526.45172	0.8
589.25372	1.0
607.26642	1.1
681.40204	1.1
891.53613	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	891.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98081	7.3
71.01255	5.0
71.99811	1.8
73.02804	3.6
78.95771	2.8
79.95590	1.6
82.90836	1.6
83.01239	1.7
85.02799	2.2
85.04271	1.7
87.00750	10.5
88.98682	5.5
89.02293	1.7
96.95911	2.6
99.92463	9.0
101.02318	3.9
106.48856	1.8
116.92735	100.0
117.01796	3.4
117.92765	8.3
119.04927	1.9
122.87471	1.6
125.02329	3.6
133.01302	2.3
171.10138	3.4
180.92960	1.9
197.11731	8.1
201.11237	3.8
209.11792	2.6
211.13354	5.3
235.08089	5.9
253.09296	13.0
291.19684	7.7
295.22699	3.1
300.99777	2.7
309.20694	42.0
310.21097	2.1
327.21738	31.8
545.29443	7.7
563.30524	5.9
855.50256	4.1
891.48688	20.9
892.47357	2.3
910.27637	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	891.423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.1
71.01254	23.6
71.21991	2.5
71.22348	4.3
72.79718	2.6
72.99177	2.7
73.02819	4.8
73.38383	2.3
74.73335	2.4
76.43855	2.4
78.95771	2.8
80.96397	2.5
81.03332	3.1
83.01261	3.3
83.04903	4.0
85.02837	5.2
87.00779	3.6
88.98681	12.8
89.02294	12.6
93.03365	3.9
95.04922	2.8
96.95885	6.1
98.10963	2.6
101.02349	8.7
109.02848	3.3
113.02352	6.2
116.92739	9.2
119.03368	3.5
119.36488	2.9
119.87523	2.3
121.02827	2.7
125.02343	18.5
125.09593	3.1
134.74268	2.8
135.02917	3.0
137.02347	4.3
145.02924	3.2
149.02284	2.6
151.03862	3.3
161.04379	3.0
163.11343	3.2
167.03333	3.1
169.01375	4.0
174.03096	3.9
175.03888	11.6
179.14259	3.7
191.05437	3.7
195.13849	6.8
197.11818	8.6
201.11272	42.7
202.11559	3.0
203.07040	2.8
205.04961	3.4
205.12260	7.8
209.11772	100.0
210.12114	5.6
223.13359	65.1
224.13716	2.6
227.12794	15.3
235.08154	2.8
255.78311	2.6
273.00586	3.0
275.02029	4.1
289.07217	3.0
300.99802	11.1
309.20920	13.2
379.12573	4.3
397.13535	30.3
415.14526	9.6
621.27887	5.1
666.15112	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	889.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	9.4
69.03316	1.1
71.01252	17.0
72.01592	0.3
72.99190	1.2
73.02813	2.2
75.00750	0.5
77.68528	0.3
78.95760	0.4
79.95612	0.6
80.02543	1.3
80.96387	2.6
81.03333	1.9
83.01270	2.0
83.04905	5.2
84.02036	0.4
85.02814	3.7
87.00748	3.0
89.01759	0.6
89.02316	12.7
94.97968	0.5
95.01268	1.2
95.04919	0.4
97.02826	1.8
99.00750	0.9
99.04379	0.5
101.02317	11.6
104.97406	0.3
109.02747	0.3
111.04418	0.3
113.02316	6.6
119.03391	3.1
125.02328	6.0
125.05965	0.6
127.03904	0.4
131.03491	0.4
133.04985	0.5
135.08078	0.4
143.03375	2.9
161.04463	3.1
163.11212	3.4
164.98515	0.4
165.12796	1.7
167.03458	0.5
179.05504	3.2
181.12260	0.5
191.10698	1.3
209.11763	100.0
210.12102	5.8
217.07133	1.0
221.06590	1.8
225.00659	0.9
227.12842	11.8
228.13196	0.6
229.70503	0.5
235.08188	4.4
251.12909	0.4
253.09210	0.7
255.23181	0.8
257.91925	0.3
263.07730	0.7
269.92056	0.3
281.24841	59.3
282.25211	5.5
287.07690	1.0
305.08713	2.2
323.09772	1.2
355.96292	0.3
379.12375	7.7
397.13461	39.3
398.13879	2.2
415.14517	9.5
416.15005	0.8
497.38580	0.3
589.24628	0.4
604.15839	0.4
607.26428	1.0
679.38971	1.1
715.42371	0.9
798.27045	0.5
889.49774	2.4
890.50623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5083
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98704	100.0
67.48374	5.8
69.61999	5.7
71.01250	6.0
71.49432	6.6
76.31241	6.7
107.13610	7.1
110.23602	5.3
116.92740	16.1
171.10196	8.3
197.11739	8.1
209.11769	17.0
253.09259	22.3
289.17996	9.0
291.19519	15.6
293.21289	51.0
294.21234	9.8
294.52814	6.2
307.19098	12.7
309.20734	19.5
341.23257	43.1
489.60104	5.9
889.50275	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83866	0.6
71.50396	0.8
79.95604	22.5
89.57182	0.5
96.95886	89.1
110.97473	1.3
125.02305	1.7
130.19539	0.5
138.59445	0.7
141.95628	3.3
148.30586	0.6
167.00047	0.8
169.01457	0.8
177.77322	0.7
199.43823	0.6
301.00110	0.9
359.15149	1.0
424.08307	1.7
439.10654	100.0
440.10983	10.6
792.38867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	2.4
63.66177	0.4
67.02689	0.4
69.03313	0.7
71.01255	7.1
71.49949	0.8
72.99164	0.9
73.02820	3.8
75.00735	1.0
78.95777	0.9
79.95580	0.5
83.01245	0.9
83.04888	1.1
85.02834	1.8
85.13354	0.4
87.00745	1.7
89.02307	5.6
95.01226	0.6
95.04918	0.4
96.95874	1.3
97.02837	0.9
97.06466	2.8
99.00756	1.7
99.92454	10.5
101.02306	4.4
109.06461	0.4
113.02308	2.7
113.09594	0.5
114.93279	0.6
115.00257	0.9
116.92741	100.0
116.97134	0.7
117.01821	4.8
117.92740	5.2
119.03387	0.9
121.02822	0.5
125.02316	2.0
125.09605	0.6
133.01317	1.8
133.04955	1.6
143.03343	0.6
151.11205	5.2
161.04468	0.6
169.12248	21.8
170.12633	1.2
171.10187	0.6
179.05611	0.5
191.05482	0.5
195.13831	5.9
197.11794	0.9
199.09708	0.9
209.04468	0.5
209.11809	1.2
213.11253	2.9
221.06631	1.0
235.08101	1.2
253.09332	0.7
277.21719	4.9
289.17868	0.5
293.21213	0.5
295.22748	17.5
296.23102	1.3
301.00104	0.7
307.19141	0.8
309.20679	1.8
325.19885	0.6
327.21765	0.6
397.13431	1.9
401.08752	0.6
487.34009	0.5
590.52692	0.5
603.60944	0.5
611.25458	1.0
709.42285	0.6
889.47943	60.4
890.48169	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	887.4642
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.80609	0.5
61.98692	1.6
69.03307	0.9
71.01249	11.7
71.42577	0.6
72.01569	0.6
72.99167	1.3
73.02808	1.8
81.03323	0.7
83.01237	1.2
83.04887	0.8
85.02819	2.2
85.15087	0.5
87.00741	2.5
89.02311	6.5
92.61032	0.4
95.01257	0.6
95.04889	1.7
96.95901	3.7
97.02818	1.5
97.06461	4.8
99.00791	1.0
100.61842	0.5
101.02322	7.7
107.04946	0.5
111.00755	0.7
112.71689	0.5
113.02345	4.4
116.92757	3.2
119.03367	1.2
122.45650	0.5
125.02338	3.2
125.08714	0.5
125.09604	0.7
131.72935	0.6
133.01303	0.9
133.04895	1.2
133.10097	0.7
137.02364	0.6
139.00258	0.7
151.11177	9.4
152.11650	0.5
161.02351	1.3
161.04469	1.1
169.12245	33.1
170.12596	2.3
179.05562	0.8
179.14252	0.6
189.01817	0.9
195.10246	0.8
195.13861	5.0
197.11678	0.6
207.10223	0.6
209.11725	2.1
209.25865	0.5
210.12160	0.6
211.13301	0.8
213.11243	5.8
219.59308	0.5
221.06664	1.5
223.13327	3.5
235.08147	1.5
253.08928	0.6
261.05673	0.7
275.01898	0.5
275.20169	2.6
293.21225	19.6
294.21573	1.6
295.22656	0.6
300.99915	1.4
301.05032	0.9
302.05841	0.6
305.04590	6.7
306.04987	1.0
309.20743	0.8
317.04404	0.7
318.05212	1.5
320.03439	0.6
329.04642	0.6
345.04065	2.3
346.04721	7.1
347.05249	0.9
397.13464	2.2
415.14685	1.2
443.11331	16.9
444.11780	3.3
501.05670	0.6
593.24536	1.2
611.25415	0.9
658.56445	0.6
873.26770	0.6
887.46417	100.0
888.46686	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	887.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	1.3
65.43298	0.4
69.03286	4.0
70.98885	1.1
71.01254	16.1
71.04877	1.3
72.99171	1.6
73.02832	2.4
81.03342	0.9
83.01268	2.2
83.04881	0.7
85.02827	3.5
86.03119	0.5
87.00765	2.9
89.02318	12.5
91.36124	0.4
93.03319	0.6
95.01279	1.0
95.04903	0.6
96.95877	3.2
97.02797	2.3
97.06484	0.7
98.95457	1.2
99.00754	0.8
101.02321	10.6
107.04932	0.4
109.06441	1.1
111.04418	0.5
113.02329	5.8
116.92738	0.8
119.03387	2.8
125.02338	4.7
125.09580	0.5
131.03366	0.5
139.03885	0.8
143.03415	2.0
145.67267	0.4
149.09610	0.7
161.04485	2.4
161.13206	0.5
163.11266	0.6
167.10669	3.6
169.12302	0.8
171.10175	0.6
177.12741	0.8
179.05525	3.2
179.10680	0.9
179.14307	3.7
181.12349	0.4
195.13852	12.6
196.14230	0.7
197.11746	7.2
200.22458	0.4
205.12276	10.9
206.12584	0.6
209.11600	1.1
211.13210	0.5
212.23894	0.4
217.07140	0.5
221.06619	1.5
223.13345	100.0
224.13676	5.6
235.08203	2.9
253.09419	0.7
275.01959	0.6
277.95612	0.4
287.07681	1.2
291.19730	1.4
293.21283	1.1
300.99899	0.8
305.08807	1.5
309.20712	5.0
323.09811	1.2
341.23495	0.6
379.12476	3.9
397.13501	25.4
398.13904	1.6
411.25546	0.7
415.14563	6.3
429.26437	1.0
441.21271	0.6
603.26563	14.6
604.27100	1.9
621.27557	18.0
622.27704	2.7
757.37634	0.7
783.38629	1.3
809.39752	5.1
810.39996	1.0
827.40594	4.2
828.41290	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	886.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
65.30203	0.1
71.01262	0.5
78.95794	0.8
79.95609	0.7
80.96388	1.7
85.02808	0.2
87.00773	0.1
94.97973	0.4
113.02322	0.2
125.02329	0.2
134.97501	0.2
138.17473	0.2
164.98543	0.5
195.13782	0.2
207.10258	0.2
209.11871	0.1
225.00760	0.5
227.12909	0.1
256.06213	0.1
277.21732	0.2
279.23096	0.2
288.97327	0.2
293.21246	0.9
295.22784	0.5
325.54385	0.1
724.41547	0.2
800.40302	0.5
812.51508	0.3
886.46808	1.0
887.48346	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	887.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	3.3
69.45123	1.4
80.91612	0.2
83.01258	0.2
89.00205	0.8
89.39948	0.1
91.01768	0.6
93.03333	1.5
97.02822	3.0
98.20524	0.3
107.01258	0.4
108.02036	0.2
109.02831	1.6
121.02845	14.9
122.03165	0.4
124.01565	0.4
139.03908	0.7
147.00821	0.3
148.01552	0.2
149.02327	1.2
149.99498	1.5
151.00290	1.5
163.00261	0.8
164.01057	0.2
165.01843	39.7
166.02168	1.6
178.02678	0.2
183.02863	0.3
192.00551	0.4
193.01357	5.0
207.02948	0.7
212.04715	0.2
216.04292	0.2
226.02655	0.7
227.03459	0.6
228.04205	1.1
239.03662	0.2
243.02885	1.3
244.03735	0.5
254.02130	1.3
255.02940	1.3
256.03650	0.8
259.06039	0.9
269.04593	0.6
271.02490	6.5
271.05588	0.2
272.03168	1.3
287.05542	1.9
300.02728	9.1
301.03107	0.5
313.03479	0.6
314.04260	0.3
315.05093	100.0
316.05402	8.0
395.00754	25.9
396.01089	2.4
491.08328	1.0
492.08490	0.2
751.22357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
71.01266	0.6
71.50905	0.2
75.00755	0.5
78.95779	0.5
78.98486	0.2
79.95609	0.9
80.96388	2.4
83.04855	0.2
85.02828	0.3
94.97994	0.7
95.01211	0.2
101.02344	0.3
106.97995	0.1
113.02431	0.1
125.02362	0.3
125.09671	0.2
134.97433	0.2
148.99107	0.2
152.98512	0.2
163.11189	0.2
164.98567	0.3
185.40987	0.1
207.10234	0.4
209.11784	0.9
225.00671	0.9
227.12921	0.2
241.01331	0.2
255.23239	0.2
277.21814	0.3
279.23331	0.6
293.21390	0.4
393.86005	0.1
397.13290	0.7
434.29861	0.2
800.40631	0.3
823.47205	0.4
886.47632	1.1
887.48279	3.9
915.14160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	1.5
69.03312	0.8
71.01250	14.0
71.04892	0.3
72.01549	0.2
72.99195	1.0
72.99533	0.2
73.02811	1.7
75.00741	0.3
78.95726	0.4
79.95592	0.4
80.02551	1.3
80.96368	0.3
81.03328	1.8
83.01253	1.5
83.04889	5.3
84.02030	0.7
85.02816	3.8
87.00740	3.7
89.02312	11.3
93.03319	0.4
95.01253	1.2
95.04903	0.8
97.02823	2.1
97.06439	0.3
99.00772	1.2
101.02320	9.7
109.02799	0.3
109.06462	0.3
111.04410	0.3
111.08028	0.3
113.02332	6.1
115.03885	0.4
119.03381	3.4
125.01452	0.4
125.02332	5.7
125.05960	0.6
126.02619	0.2
131.03381	0.5
133.04958	0.3
135.08040	0.7
139.03871	0.3
143.03386	2.0
161.04445	2.6
163.11208	3.9
165.12741	2.2
167.03358	0.3
176.07085	0.2
179.05539	3.8
181.12312	0.7
182.12729	0.2
191.10674	1.0
195.13843	0.3
197.11696	0.4
199.06052	0.6
209.11757	100.0
210.12102	6.3
217.07140	0.9
221.06644	1.5
222.96422	0.2
223.13383	0.3
227.12819	10.9
228.13170	0.9
229.74234	0.2
230.28781	0.2
235.05818	0.3
235.08167	4.8
245.06493	0.2
251.12860	0.7
253.09267	1.0
259.08041	0.3
263.07751	0.5
277.21707	40.2
278.22031	3.8
287.07718	1.4
291.23102	0.3
293.21323	1.1
294.21454	0.4
303.82269	0.2
305.08810	1.8
323.09863	1.0
361.11435	0.2
379.12424	5.7
397.13464	31.4
398.13837	2.4
415.14542	8.1
416.14886	0.8
589.25159	0.6
607.26123	1.3
695.63062	0.3
753.49762	0.2
805.12402	0.2
810.49426	0.3
811.49640	1.2
885.46552	0.8
886.47339	0.3
904.71936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	97.2
71.01247	10.9
72.04841	2.5
75.00739	3.0
75.72361	3.0
78.95792	4.1
78.98466	6.3
79.95606	45.3
80.49577	2.7
80.96386	100.0
85.02819	7.1
94.97974	22.0
97.85689	2.7
101.02317	3.0
106.97939	4.1
116.92793	5.1
122.97459	6.7
125.02302	6.8
134.97443	6.3
148.99001	10.1
152.98557	6.5
164.98557	21.2
206.99673	5.7
225.00688	38.7
272.82068	2.7
283.04883	4.8
293.21219	3.3
294.12878	2.7
376.30975	2.6
397.13626	3.2
505.17572	5.7
799.39325	95.2
800.39874	23.4
867.45068	5.9
885.46399	57.3
886.46710	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	0.9
64.49205	0.2
69.03317	1.1
71.01250	16.5
72.01579	0.2
72.99167	1.2
73.02808	2.6
75.00761	0.4
75.01211	0.2
79.37776	0.2
79.95584	0.3
80.02554	1.0
80.96394	0.4
81.03325	1.8
83.01245	2.1
83.04897	4.4
84.02025	0.6
85.02821	3.9
87.00743	3.8
87.04391	0.2
89.02310	13.1
90.02637	0.3
91.03886	0.3
93.03338	0.4
95.01263	1.3
95.04889	0.8
97.02824	2.4
99.00764	1.0
101.02313	11.4
109.02839	0.3
111.00771	0.4
111.04379	0.6
113.02328	6.6
114.02641	0.2
115.03868	0.4
119.02565	0.4
119.03376	3.7
121.02839	0.3
124.01513	0.2
125.02327	6.0
125.05939	0.4
127.03886	0.3
131.03397	0.7
133.04944	0.5
135.08044	0.7
137.02348	0.2
139.03883	0.5
143.03397	2.7
145.05037	0.2
147.11624	0.2
149.04475	0.5
161.04454	3.1
161.05658	0.2
163.11200	4.2
164.11685	0.2
165.12749	2.2
167.03416	0.3
179.05531	3.3
181.12273	0.6
185.04465	0.2
191.10727	1.1
199.06050	0.6
201.65849	0.2
209.11757	100.0
210.12105	6.5
217.07053	0.7
221.06610	1.1
223.13379	0.3
225.00633	0.2
227.12825	11.9
228.13116	0.9
229.37534	0.2
235.08168	5.1
236.08510	0.3
245.06786	0.2
251.12952	0.3
253.09219	0.7
259.08237	0.6
263.07666	0.3
275.20151	0.4
277.21698	51.5
278.22049	4.8
287.07639	1.9
291.23279	0.5
293.21167	0.3
305.08887	1.8
319.22803	0.3
323.09814	1.1
363.76456	0.2
379.12442	5.9
380.12717	0.4
397.13464	35.9
398.13800	3.3
415.14517	8.9
416.14658	0.6
589.24908	0.3
607.26215	0.8
675.35754	0.5
811.49713	0.5
812.50592	0.3
885.47699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	2.1
71.01248	5.1
71.50713	0.7
72.38676	0.6
72.99188	1.3
78.50719	0.5
78.93618	0.6
80.77724	0.6
83.01250	1.0
85.02821	1.7
87.00746	1.4
89.02304	2.4
95.04918	0.8
96.95871	0.9
97.02806	0.6
98.72877	0.6
99.00743	0.7
101.02325	2.0
105.85072	0.6
107.01311	0.7
111.04360	0.7
113.02313	1.1
115.00144	0.7
117.03339	2.0
119.03333	0.7
119.04911	5.1
121.02870	0.7
123.00797	0.9
123.04397	1.1
123.08030	0.8
125.02341	3.8
132.02066	1.3
133.02852	16.8
135.04405	6.2
135.77034	0.6
135.96004	0.6
137.02335	1.5
138.06728	1.2
143.04912	0.6
145.02846	5.7
149.02304	1.1
151.03964	0.8
153.09132	2.7
157.02852	1.1
159.04507	0.8
160.01451	0.8
161.02350	69.1
162.02654	2.5
163.03967	1.1
165.01787	1.2
169.01309	1.7
173.02361	3.9
174.03069	2.0
175.02608	1.0
175.03911	5.0
177.01897	1.3
178.02518	0.8
179.03438	5.6
179.05052	0.7
188.66745	0.6
189.01842	2.8
190.02676	0.5
191.05563	1.0
191.08521	0.7
203.39664	0.6
215.03331	0.9
217.06581	1.1
219.08031	3.6
221.06129	0.6
225.14949	0.8
231.08095	2.6
233.05954	0.8
235.07594	3.4
237.05446	2.1
237.09198	1.4
244.05244	1.3
245.06067	16.4
246.06717	3.0
247.07587	6.8
261.05566	5.0
262.06058	0.7
263.03949	1.0
263.07135	10.8
272.04803	12.8
273.05560	25.6
274.06152	4.7
275.02066	1.2
275.07144	8.4
276.04364	4.9
276.07233	1.2
277.05090	3.2
278.05655	1.4
288.04330	0.9
289.05005	5.7
290.05728	3.3
291.06625	14.5
292.07031	1.5
299.01981	0.9
299.07190	0.9
301.00040	3.3
301.05133	2.0
307.06155	5.0
317.04529	8.5
318.05237	3.7
319.06082	10.8
320.06613	1.3
333.07938	0.7
335.05576	11.7
343.06064	2.2
349.07214	1.7
350.07553	0.8
360.06461	2.9
361.07080	3.0
375.53732	0.7
391.08105	1.4
421.09384	1.2
461.08994	2.0
463.10342	1.0
478.09082	4.4
480.10803	2.9
549.23401	100.0
550.23798	11.2
677.26160	4.9
678.26245	0.9
687.15002	0.6
687.24469	25.5
688.24774	4.6
705.25476	52.6
706.25812	10.2
711.28534	0.7
885.30878	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	885.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02242	1.4
65.00189	4.5
83.01244	2.1
93.03302	0.7
96.95867	0.9
98.20614	1.0
103.46391	0.4
107.01263	8.3
109.02841	2.0
121.02837	7.5
125.02351	0.6
139.03911	0.5
149.02321	0.8
151.00269	33.8
152.00609	1.2
163.00252	1.1
163.03943	0.6
169.01311	1.4
175.03934	0.6
178.99779	15.2
187.03896	0.9
192.00546	0.6
201.05455	0.6
225.60904	0.5
227.03378	1.0
229.05011	1.2
245.04480	1.5
255.02985	1.6
257.04523	0.6
266.81128	0.5
271.02423	1.0
272.07950	0.5
273.03979	2.1
299.02020	1.4
301.03506	100.0
302.03879	8.8
303.04166	0.8
380.99182	29.4
381.99686	2.4
531.62927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	1.5
71.03072	0.4
71.51569	0.5
73.02830	0.7
83.01236	0.5
85.02809	0.6
89.02324	0.4
93.03343	0.4
101.02329	0.6
109.02849	0.9
113.02337	0.7
117.03390	0.4
119.04909	0.8
121.02908	0.5
121.06480	0.7
125.02338	1.6
133.02850	0.9
135.02884	0.4
135.04434	0.7
137.02356	0.9
138.06755	0.4
145.02817	0.4
150.03131	0.5
151.03899	0.7
152.00995	0.3
153.09148	0.8
161.02347	3.9
163.03928	0.5
163.11223	0.4
165.01752	0.4
169.01303	0.9
173.02380	0.5
175.00468	0.3
175.03940	0.9
177.01903	2.5
189.01909	0.8
191.05534	0.7
195.06529	0.7
203.03433	0.4
205.04912	0.4
209.05792	0.4
217.01367	0.7
221.06023	1.8
225.07640	0.4
225.14867	0.7
233.06035	0.6
237.05502	1.2
241.58728	0.3
245.08279	0.5
248.04701	0.7
249.05516	1.5
250.06299	0.4
261.05566	1.5
262.06204	0.8
263.06921	0.4
264.04251	0.7
265.05048	6.6
265.07654	0.3
265.27197	0.4
266.05524	0.5
271.06149	0.5
275.03699	2.1
276.04370	2.2
277.04984	0.8
279.06586	0.8
289.04944	3.2
290.05685	2.0
291.03351	0.5
291.06598	5.3
292.03845	3.3
292.06870	0.6
293.04550	100.0
294.04922	7.9
301.00104	2.0
305.04593	2.3
306.05170	2.4
307.06067	2.7
308.06763	0.5
317.04504	3.1
318.05106	0.4
326.92459	0.4
333.04074	1.3
334.04794	0.6
335.05612	4.4
339.05002	0.5
341.06601	0.8
353.10071	0.4
364.44678	0.5
451.10098	0.6
504.09189	0.4
531.14825	0.4
705.25616	3.0
706.25464	0.4
722.25775	17.2
723.26495	23.2
724.26984	3.4
735.26544	1.2
885.19318	0.6
885.31873	11.7
886.32581	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	885.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36062	3.0
71.01237	0.7
78.95779	0.4
85.86333	0.4
108.02090	0.5
109.02824	0.9
109.48265	0.4
121.02821	0.7
125.02307	0.7
135.04344	0.5
161.02356	0.5
163.03812	0.4
165.01880	2.1
169.01328	0.5
173.55861	0.4
174.97076	0.8
175.03941	0.7
177.01810	0.4
187.03760	0.4
209.11781	0.8
229.01491	0.5
232.03705	0.4
243.02843	0.6
243.20920	0.4
254.02005	0.5
269.98056	3.9
271.02487	5.1
285.00433	8.0
297.97549	21.2
298.98004	1.3
299.01917	8.1
300.02682	1.1
300.99756	0.7
312.99881	53.1
314.00269	3.7
314.04312	9.0
315.05026	7.6
327.01215	0.5
328.02222	74.7
329.02600	6.0
337.03436	0.7
343.04553	100.0
344.04898	8.3
423.00253	56.3
424.00650	5.2
461.10898	17.9
462.11105	1.8
705.25519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98394	0.2
71.01241	0.1
75.00756	0.3
78.91776	0.2
78.98476	0.1
79.95618	0.2
80.96387	0.5
94.97987	0.2
96.96888	0.1
98.20556	0.2
105.53419	0.1
129.29700	0.1
152.98508	0.1
155.68135	0.1
164.84232	0.1
164.98537	0.1
225.00757	0.2
357.81650	0.1
799.39447	0.3
811.91876	0.1
884.45544	0.2
885.47064	0.3
917.21588	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	884.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	100.0
62.98376	0.1
63.54718	0.1
65.11525	0.1
71.01248	0.7
73.02828	0.2
78.95751	0.1
79.95593	0.5
80.96391	1.3
81.09540	0.1
85.02801	0.1
87.00771	0.2
89.02311	0.5
90.05209	0.1
94.97997	0.3
97.02846	0.3
99.00763	0.1
101.02341	0.3
106.97998	0.1
109.06471	0.3
110.06857	0.1
113.02290	0.2
125.02350	0.3
161.04417	0.1
163.11197	0.2
164.98526	0.2
179.05519	0.1
197.11807	0.2
207.10211	1.1
208.10538	0.3
209.11786	0.7
210.12193	0.2
225.00598	0.5
225.11221	0.5
226.11673	0.2
227.12837	0.4
229.37775	0.2
255.23389	0.2
277.21732	0.8
278.22073	0.3
293.21411	0.3
294.21628	0.1
397.13608	0.8
398.14075	0.3
415.14764	0.2
730.16211	0.2
810.50140	0.3
813.78802	0.1
835.85388	0.1
884.46637	1.0
885.46808	2.0
885.62714	0.2
889.22784	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	884.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
62.98398	0.2
70.35947	0.2
78.95771	0.2
80.96394	0.1
156.14809	0.1
190.81181	0.1
209.11765	0.1
293.21268	0.2
545.56427	0.1
810.49353	0.2
884.46619	0.1
885.47931	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	884.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98403	0.2
62.99124	0.1
67.51796	0.1
71.01299	0.1
71.07211	0.1
79.95610	0.1
80.96368	0.4
89.02277	0.1
94.97971	0.1
131.12267	0.1
137.47475	0.1
137.52655	0.1
156.32947	0.1
157.80078	0.1
164.98553	0.1
201.11374	0.1
209.11867	0.1
210.12077	0.1
225.00720	0.2
254.67522	0.1
255.23245	0.1
269.41376	0.1
293.21216	0.1
294.21564	0.1
402.21805	0.1
446.87244	0.1
667.50812	0.1
743.66846	0.1
884.45398	0.1
885.47058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98400	0.1
71.01248	0.1
109.06479	0.1
119.00979	0.1
124.99577	0.1
154.18900	0.1
199.48544	0.1
207.10242	0.1
225.88562	0.1
229.77130	0.1
260.13574	0.1
262.52823	0.1
262.99326	0.1
397.13409	0.1
886.51752	0.1
906.17096	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	883.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82976	2.6
61.98700	100.0
69.03345	2.3
69.39436	19.6
71.01264	11.1
75.00747	3.8
78.95768	2.9
79.95600	7.5
80.96387	25.9
85.02821	7.7
87.00751	2.6
89.02308	9.3
94.97950	5.0
97.02827	2.8
98.23439	2.4
101.02312	5.4
111.36629	2.4
113.02314	4.5
123.98299	3.1
161.04491	2.7
164.98502	3.2
171.10187	19.2
184.51042	2.6
188.49393	2.4
195.13757	6.1
207.10265	4.0
209.11766	3.9
211.13234	4.0
225.00706	7.3
235.08240	4.5
241.00816	2.3
253.09317	24.2
277.21756	35.8
281.07083	2.4
291.19650	9.6
293.21298	20.0
294.21448	2.8
295.22766	25.3
309.20728	16.4
311.22336	17.5
327.21744	38.7
397.13525	2.7
413.76007	2.7
545.29529	3.6
563.31305	4.8
587.43176	3.1
883.27924	4.5
883.44354	22.2
884.45135	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	882.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
62.98370	0.1
70.35849	0.2
71.01254	0.2
75.00753	0.1
78.95798	0.1
79.95609	0.1
80.96377	0.4
89.02299	0.1
94.97991	0.1
113.02320	0.1
138.98769	0.1
147.23270	0.1
164.98505	0.1
166.31944	0.1
171.10167	0.1
197.11823	0.1
199.48503	0.1
202.08018	0.1
209.11838	0.1
225.00745	0.1
235.08080	0.1
241.01314	0.1
243.73553	0.1
253.09393	0.1
277.21832	0.2
289.18225	0.2
290.18466	0.1
291.19312	0.1
293.21262	0.2
294.21622	0.2
295.22748	0.4
307.19315	0.1
308.19571	0.1
309.20493	0.2
327.21808	0.1
392.22961	0.1
428.15018	0.1
557.87769	0.1
882.50195	0.2
883.45386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
69.36420	1.7
71.01245	0.5
75.00758	0.2
78.95779	0.4
79.95621	0.5
80.96384	1.1
89.02357	0.2
94.97941	0.3
113.54578	0.2
164.98598	0.3
166.67949	0.2
171.10330	0.2
207.10321	0.2
222.18930	0.2
225.00671	0.3
246.10442	0.2
277.21866	0.3
289.18057	0.3
294.21579	0.3
715.67090	0.2
883.44952	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	881.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
71.01270	2.9
88.78582	0.9
89.02323	3.8
91.52204	1.2
101.02313	3.6
111.08031	2.4
113.02337	1.8
115.17233	1.0
119.03349	1.2
125.02381	1.7
161.04404	1.2
165.23470	1.0
195.13773	1.7
197.11728	8.7
201.11264	7.3
209.11752	9.3
211.13229	2.2
223.13278	1.6
227.12717	1.0
235.08179	1.8
253.09239	9.4
255.23370	8.5
256.23730	1.3
275.20096	1.6
291.19681	3.4
293.21191	33.3
294.21509	3.0
309.20712	15.1
310.21045	1.1
397.13593	5.6
488.77774	1.1
629.44250	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	881.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	23.6
69.03349	2.2
71.01251	23.5
73.02821	4.4
76.49583	1.4
81.03310	1.5
83.01267	2.1
85.02816	3.8
87.00742	5.1
89.02317	17.4
97.02831	3.7
98.19774	3.1
101.02319	12.0
103.41923	1.7
111.08044	6.2
113.02298	7.1
116.92793	1.9
119.03394	4.8
125.02333	6.4
125.09670	2.2
125.85381	1.7
127.11127	2.0
129.90407	1.5
151.90880	1.7
161.04509	3.8
163.11188	2.8
166.76128	1.4
169.12267	2.4
171.10126	2.8
179.05463	3.2
195.13826	5.3
197.11769	32.3
198.12170	2.2
199.13225	2.6
201.11252	44.4
202.11641	2.5
209.11755	56.8
210.12096	4.3
211.13310	4.9
221.06700	1.8
223.13333	3.3
227.12784	9.8
229.51425	2.4
235.08183	7.0
249.30287	1.6
253.09286	30.5
255.23254	46.2
256.23615	3.6
275.20187	3.1
287.07742	3.4
291.19693	13.0
293.21216	100.0
294.21548	10.0
305.08688	2.1
309.20685	57.1
310.21185	3.5
370.33096	1.6
379.12375	6.6
397.13513	36.9
398.13867	5.6
415.14566	8.7
449.47073	1.6
529.29956	2.0
545.29633	4.7
585.41821	2.7
653.37610	5.8
881.50482	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	881.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	15.4
69.03330	2.1
71.01250	24.8
71.06873	1.9
72.99174	2.2
73.02819	3.8
80.96387	1.3
81.03333	2.4
82.52626	0.8
83.01252	1.7
83.04908	4.4
84.02036	0.9
85.02821	5.9
87.00734	6.2
89.02312	26.0
95.01258	2.0
95.04915	0.9
97.02827	4.7
99.00735	2.3
101.02313	19.5
111.08038	1.4
113.02312	11.8
119.03387	6.0
125.02340	9.4
125.05934	0.9
125.09618	2.3
127.11186	2.9
133.04985	0.9
137.09550	1.0
139.03836	1.4
141.01810	1.2
143.03372	3.9
147.08072	0.9
149.04422	0.9
155.10699	1.1
161.04440	5.3
163.11206	4.0
165.09180	1.2
165.12767	2.9
171.10210	4.8
179.05562	4.2
183.10292	1.2
191.10625	1.0
195.13858	0.9
197.11783	3.9
199.09700	1.3
201.11249	75.5
202.11612	4.3
208.54315	0.8
209.11760	100.0
210.12062	6.4
211.13351	1.2
217.07063	1.0
221.06604	2.1
223.13283	1.2
225.11264	2.4
227.12843	13.3
235.08200	8.0
253.09271	6.5
255.23260	73.8
256.23547	7.6
263.07748	0.9
287.07724	2.7
291.19669	3.7
293.21198	18.9
294.21475	1.2
305.08804	2.5
309.20679	12.2
336.37756	0.9
379.12503	14.4
380.12805	1.3
397.13458	66.2
398.13885	5.2
399.13605	1.0
415.14462	12.2
581.24402	2.5
585.41956	1.0
589.24750	1.1
599.25690	1.8
607.26886	1.2
635.36432	2.0
653.37915	6.7
653.47638	1.3
654.38281	1.5
776.42627	0.8
837.48468	2.0
881.45587	1.4
904.02032	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	881.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	6.8
69.03321	3.6
70.81579	0.4
71.01250	21.8
71.04889	0.5
72.01563	0.9
72.99190	1.8
73.02814	4.4
73.17840	0.4
75.00748	1.4
78.95783	1.0
78.98476	0.7
79.95588	1.4
80.39623	0.5
80.96385	6.3
81.03326	1.3
82.80175	0.4
83.01241	2.5
83.04900	0.7
85.02811	5.7
85.06448	0.8
87.00742	5.4
89.02311	18.7
94.97961	1.3
95.01259	1.8
95.04868	0.6
97.02831	4.0
97.06486	0.6
98.19768	1.0
99.00761	1.4
101.02322	17.4
111.00742	0.5
111.04415	0.5
113.02331	9.1
119.03384	5.5
121.02834	0.7
125.02326	7.2
131.03389	0.6
134.97459	0.8
139.03874	0.7
143.03366	3.3
145.04851	0.8
149.04382	0.5
161.04457	4.3
164.98543	0.7
167.10687	3.0
179.05533	5.0
179.14348	2.3
195.13826	8.2
196.14217	0.7
197.11751	1.2
199.06050	0.8
205.12239	8.5
206.12688	0.6
209.11621	0.5
217.07231	1.0
221.06596	1.7
223.13336	100.0
224.13686	6.2
225.00661	0.9
235.08206	6.5
253.09209	1.9
255.23201	1.3
256.23563	0.6
263.07611	0.6
275.20056	0.7
277.21701	70.6
278.22043	4.9
287.07712	1.9
291.19629	0.6
291.23221	0.5
293.21268	5.2
305.08768	1.6
309.20691	1.7
323.09891	1.2
379.12366	9.4
397.13461	55.1
398.13824	4.3
415.14523	11.6
416.14804	0.9
449.18292	0.4
556.08417	0.5
603.26422	6.7
604.26862	0.9
621.27649	4.3
622.28052	0.6
657.35223	0.9
675.35675	2.6
881.49048	7.9
882.49683	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	881.4028
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98706	8.3
69.03321	7.5
71.01252	24.1
71.04878	1.6
72.99174	4.4
73.02808	4.0
75.00738	2.5
78.95757	1.2
80.02551	1.8
81.03333	2.6
83.01253	4.5
83.04891	7.7
83.93971	1.1
84.02023	2.0
85.02826	5.4
87.00742	5.1
88.98631	1.1
89.02321	15.6
93.03319	1.8
95.01261	2.5
95.04902	2.7
96.95929	2.1
97.02823	3.5
97.06432	1.8
99.00777	2.0
100.90364	1.2
101.02313	15.4
104.83939	1.1
105.01816	1.1
108.02063	1.5
109.02785	1.8
113.02322	6.2
119.03380	3.1
123.04426	1.8
123.08080	1.6
125.02351	8.0
125.09603	3.3
135.02959	1.6
135.04477	1.5
135.08031	2.0
137.02296	2.5
143.03360	1.4
145.02824	1.4
149.02325	1.3
151.03931	2.7
151.11131	3.9
153.12740	2.5
161.02344	2.6
161.04474	1.7
161.09613	5.0
163.03899	1.2
163.11156	6.6
165.12700	2.4
166.02608	1.4
169.01363	3.6
171.10173	1.7
174.03099	1.9
175.02470	1.9
175.03915	3.9
177.01785	1.6
179.10655	6.4
180.75220	1.1
182.14006	1.2
191.05556	2.7
197.11768	78.9
198.12094	3.8
209.11766	77.6
210.12103	4.5
221.06604	3.1
223.09778	2.2
227.12831	5.9
231.03142	1.8
235.08163	1.7
241.10799	6.7
263.07703	1.3
269.08228	1.2
289.07193	1.8
299.98965	2.6
300.99844	5.6
397.13376	5.1
526.59705	1.2
688.67194	1.3
849.37549	100.0
850.37769	21.7
881.40216	47.4
882.40784	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	881.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	1.8
66.90907	0.6
71.51314	0.8
71.83730	0.6
83.01238	1.1
93.94118	0.6
96.23274	0.8
102.98473	0.8
107.01268	5.1
108.02040	1.2
109.02837	3.5
121.02821	2.7
125.02319	1.6
135.00729	1.2
148.01567	1.5
149.02341	1.7
151.00275	18.3
163.00269	5.3
163.04109	0.9
163.72589	0.7
169.01294	0.9
178.99759	10.2
183.04340	0.9
190.99788	0.9
201.01854	0.8
201.05495	1.2
203.03380	0.9
203.27034	0.9
211.03896	2.2
226.02650	1.5
227.03456	3.8
228.03917	0.9
229.04988	2.3
243.02946	11.5
245.04529	2.7
254.02107	1.9
255.02962	29.5
256.03387	3.2
263.15598	0.8
271.02472	60.0
272.02893	5.2
273.03961	1.4
282.41714	0.7
283.02435	3.1
295.17020	0.7
299.01938	1.9
299.99118	11.0
300.02695	100.0
300.99918	5.3
301.03461	78.9
302.03885	5.5
384.08002	0.8
433.07968	74.7
434.08487	5.9
447.09302	79.8
448.09671	9.1
469.86734	0.8
610.30212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22254	0.5
78.62526	0.6
95.24266	0.6
100.98319	0.5
120.00568	0.5
122.64249	0.6
136.82256	0.6
169.37180	0.8
185.68379	0.6
215.14484	0.5
229.26459	0.5
242.99251	0.7
269.00894	1.1
270.98856	7.8
271.02118	1.3
286.01230	1.3
287.02036	1.3
297.00281	1.4
297.18201	0.7
298.98352	12.7
299.01779	0.5
299.99112	56.5
300.02432	2.6
300.99496	3.8
301.03406	1.9
314.00668	13.7
315.01450	77.7
316.01785	6.0
433.07837	1.8
447.05646	100.0
448.05988	10.1
512.80115	0.6
885.75281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97034	0.3
71.01241	0.5
71.55096	0.3
85.02781	0.4
92.88398	0.3
97.39851	0.3
101.02338	0.3
118.94961	0.3
153.73380	0.3
174.34000	0.3
215.89178	0.3
229.39624	0.4
236.05759	0.3
242.99278	0.7
244.00035	0.4
263.11380	0.3
270.98843	9.6
271.02420	1.1
271.99234	0.5
294.03848	0.3
297.00171	0.3
298.98300	15.8
299.99091	66.9
300.99567	5.8
301.03357	0.8
312.99774	0.4
314.00656	10.9
315.01440	63.7
316.01764	5.0
331.17844	0.4
373.18399	0.5
432.03412	0.5
433.03326	0.5
433.08301	0.5
447.05649	100.0
448.05978	9.9
456.37213	0.3
458.20721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96114	1.1
64.72250	0.3
71.01246	4.4
73.02808	1.2
78.08559	0.3
78.98460	4.0
79.95602	9.5
80.96387	49.9
81.03333	1.0
85.02828	2.0
87.00751	1.8
89.94788	0.3
94.97958	12.5
96.95899	0.8
97.02816	1.4
98.20662	0.6
101.02323	2.1
101.02915	0.4
106.97955	2.3
113.02361	0.5
122.97458	3.3
125.02326	3.0
127.03873	0.9
134.97456	4.4
136.99034	1.4
148.99054	4.8
152.98537	5.3
164.98538	12.5
167.00102	0.5
188.98535	0.8
206.99567	3.0
212.12514	0.3
225.00684	22.2
226.01100	0.6
241.01283	0.4
255.23218	2.5
267.40445	0.3
283.04788	0.6
283.97720	0.3
537.27185	2.1
596.00555	0.3
623.27417	1.1
624.27692	0.4
709.38019	2.9
710.38153	0.4
735.38824	0.5
765.41302	0.9
781.40967	1.5
861.46631	0.7
879.51300	100.0
880.51526	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	879.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	5.6
67.50143	1.7
71.01252	19.6
71.48891	4.1
73.02773	2.3
75.00719	1.8
78.95791	2.0
79.95631	1.7
80.96398	5.4
83.04881	2.0
85.02868	2.1
87.00777	3.6
89.02325	6.3
97.06455	4.1
101.02333	6.5
111.08091	2.6
113.02316	4.6
123.40181	2.0
125.02325	2.2
125.09664	1.7
150.53285	1.7
151.11166	4.4
165.12701	4.7
166.12982	1.7
171.10210	5.5
177.12796	2.1
179.14247	2.3
181.12239	4.8
186.35922	1.8
191.10658	3.4
195.13766	9.3
201.11211	2.8
207.10219	4.0
209.11757	15.8
223.13336	6.3
225.00542	2.0
225.11217	4.3
227.12782	5.5
235.08144	3.7
245.19052	7.3
253.09193	13.5
254.09224	1.8
255.23381	8.5
263.20148	10.0
275.20187	6.5
289.18066	12.1
293.21210	100.0
294.21503	9.3
307.19113	39.2
379.12552	2.9
397.13306	3.3
432.07416	1.8
445.20700	7.5
543.27808	10.3
721.41333	5.3
745.05707	1.9
819.49048	7.4
879.47687	8.4
899.61292	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
61.98693	4.3
67.23006	0.9
69.03316	1.3
71.01251	11.1
73.02806	1.0
83.01238	2.4
85.02821	2.8
87.00750	1.4
89.02307	5.7
95.01225	1.3
95.04912	1.4
97.02828	2.0
97.06457	2.4
98.20602	1.6
101.02304	6.7
111.08043	1.3
113.02316	3.8
119.03378	1.6
119.08555	1.2
123.04420	2.5
125.02336	2.1
125.09637	5.3
135.08051	1.1
137.09604	2.6
140.21556	0.8
141.12679	1.0
143.03406	1.7
161.04456	1.9
163.11186	6.0
171.10197	7.9
181.12201	2.2
185.11728	4.5
191.14336	5.7
195.13829	6.6
197.11731	1.2
201.11230	2.5
207.10178	4.8
209.11748	12.9
211.13303	1.4
223.13324	6.6
225.11269	6.1
228.13683	1.1
235.08179	3.0
237.11227	4.3
245.19072	12.5
253.09271	24.4
255.23236	10.3
256.23627	1.5
263.20139	3.3
271.17007	1.7
275.20258	6.5
289.18091	70.7
290.18463	4.6
291.19775	1.2
293.21207	100.0
294.21466	7.6
307.19116	63.9
308.19458	4.1
331.94922	1.0
397.13345	6.0
415.14606	1.5
525.26837	3.7
543.27692	2.0
608.93304	1.1
879.48462	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	879.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	5.7
69.03324	2.2
69.85535	3.8
69.85943	1.8
71.01250	20.0
72.99165	1.3
73.02806	3.4
78.95741	1.5
80.96408	1.6
81.03334	2.1
83.01252	3.2
85.02817	4.2
87.00742	3.1
89.02310	12.1
92.29094	1.0
95.01261	2.1
95.04882	1.9
97.02812	6.3
97.06455	2.3
98.20500	1.2
99.00756	3.3
100.94703	1.2
101.02313	12.1
109.06430	1.1
111.04424	1.5
111.08070	2.5
113.02335	6.9
119.03384	2.9
123.08062	1.0
125.02328	4.8
125.09594	5.3
128.77527	0.9
137.09593	1.6
143.03391	2.4
161.04469	3.8
163.11154	5.7
171.10162	20.5
179.05562	2.9
179.10748	1.8
180.41879	1.1
181.12259	3.8
185.11728	2.9
191.14302	4.7
195.13791	9.3
197.11813	4.8
201.11276	9.0
207.10191	15.1
208.10439	1.3
209.11781	6.0
210.64137	1.0
211.03807	1.8
211.13280	1.3
221.06535	1.6
222.03331	1.2
223.13329	7.0
225.11261	28.2
226.11604	1.5
235.08173	6.3
237.11235	2.0
243.12312	6.0
245.19075	8.8
253.09254	22.0
255.23259	37.9
255.25957	2.4
256.23560	2.9
271.17044	1.6
275.20135	5.6
289.18076	45.3
290.18423	3.0
291.19662	8.1
293.21207	100.0
294.21524	8.2
304.87119	1.1
305.08762	1.3
307.19113	36.8
308.19467	2.9
309.20657	3.3
379.12314	4.5
381.05270	1.2
397.13431	20.3
398.13754	1.9
415.14429	4.4
436.23453	1.2
453.45306	1.3
543.27637	1.6
569.25824	1.2
605.24017	4.9
623.25580	4.7
776.07214	1.2
819.49255	1.4
861.48425	21.3
862.48413	3.2
879.48779	9.0
887.43896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56844	0.6
61.98706	6.9
68.99679	0.8
69.41243	2.3
69.41678	2.7
71.01252	100.0
72.01582	1.2
72.99162	1.1
73.02798	2.6
74.41022	0.7
75.00785	0.7
78.95776	1.0
80.96400	2.1
81.03326	0.9
83.01256	1.0
85.02828	3.2
87.00758	2.7
89.02316	10.5
95.01239	1.0
97.02838	3.3
98.20531	1.4
99.00755	1.5
101.02331	7.6
103.62643	0.6
109.02851	1.1
109.06481	3.2
109.14098	0.7
113.02320	4.9
119.03395	2.6
125.02342	3.6
125.09626	1.5
127.11205	1.1
130.67386	0.7
131.03339	0.6
135.08009	0.7
139.07571	0.8
141.01799	1.0
143.03426	1.8
155.10686	1.2
161.04448	1.5
163.11201	3.2
171.10188	14.3
179.05544	1.9
181.12262	1.8
185.11810	1.1
197.11740	1.4
201.11269	10.2
202.11729	0.8
207.10187	8.8
209.11580	0.8
215.12827	1.2
221.06656	0.8
225.11267	14.0
226.11670	1.1
235.08162	3.9
243.12401	2.2
253.09238	1.4
255.23267	29.1
256.23694	1.4
293.21222	1.8
295.22882	1.3
305.08795	1.0
339.38968	0.7
379.12521	2.3
397.13489	16.6
398.13913	1.0
415.14273	3.8
439.14563	1.4
441.64685	0.7
605.24829	1.3
623.25897	1.6
653.37244	1.1
861.48297	5.2
862.48517	1.2
879.49347	6.7
880.49976	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	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	6.3
64.83755	0.8
65.18469	0.7
69.03320	1.6
71.01252	21.0
71.04877	3.4
72.99172	2.3
73.02804	3.5
78.95768	1.1
81.03343	1.0
83.01252	2.3
85.02827	4.4
87.00766	4.1
89.02315	13.4
94.02656	0.8
95.01284	1.2
95.04902	1.2
97.02815	6.9
97.06467	2.1
98.20642	1.7
99.00752	11.5
100.06458	0.8
101.02321	13.4
109.06461	1.7
110.03619	0.9
111.04432	0.9
111.12827	0.6
113.02328	7.3
119.03392	2.9
123.08017	1.6
125.02342	4.7
125.09638	6.3
127.11220	1.2
136.28682	0.6
142.02638	1.7
143.03336	1.4
153.12679	0.9
161.04433	1.7
161.09612	0.9
163.11182	7.3
169.12160	0.8
171.10185	12.4
179.05489	2.4
179.10721	1.7
181.12250	10.3
183.10065	0.8
197.11758	3.3
199.13324	8.8
201.11256	3.7
207.10211	27.0
208.10497	1.1
221.06587	1.7
225.11270	36.9
226.11540	1.1
235.08205	2.7
243.12392	10.1
253.09158	1.3
255.23268	60.8
256.23502	3.7
275.82950	0.8
289.18024	1.2
291.19629	7.2
293.21136	3.8
294.21597	1.0
306.24265	0.9
307.18985	0.9
309.20752	2.4
378.43539	0.8
379.12369	2.5
397.13458	12.5
415.14383	1.9
605.24353	2.6
623.25800	1.8
653.37445	0.9
861.48297	13.5
862.48706	3.2
879.49585	100.0
880.49982	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	879.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96106	2.1
70.17303	1.1
70.17680	1.3
71.01253	9.5
73.02821	2.5
78.98459	8.0
79.95605	48.0
80.96387	100.0
81.03329	0.8
83.01240	0.7
85.02816	3.5
87.00763	3.8
94.97960	23.4
96.95877	1.4
97.02809	2.2
101.02295	4.3
106.97962	3.4
122.97480	5.2
123.30112	0.6
125.02347	4.4
127.03915	0.9
128.84357	0.6
134.97469	9.1
136.99030	2.7
146.97461	0.9
148.99037	9.2
152.98524	8.3
161.04439	1.1
164.98534	17.0
167.00082	1.0
171.10123	1.5
206.99583	5.1
223.99915	1.3
225.00693	31.1
226.00993	1.0
226.83766	0.6
241.00081	1.8
255.23256	2.1
282.20175	0.7
283.04941	1.1
341.05396	1.7
355.07138	1.1
413.07574	0.7
425.14682	1.2
453.14496	3.0
472.96808	0.9
537.27655	3.3
609.29633	1.6
623.31317	1.2
637.32825	1.5
709.38336	53.9
710.38843	8.2
722.14758	0.7
737.40961	4.1
765.40924	5.7
781.40057	5.7
879.47913	27.4
880.47797	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	877.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	2.4
69.03326	4.6
69.73299	1.3
70.47410	1.4
71.01255	17.1
71.04886	2.2
72.99174	2.8
73.02821	1.5
78.27998	1.2
83.01258	3.5
83.04874	1.4
85.02827	3.6
87.00734	4.1
89.02316	13.8
95.01247	2.7
97.02858	1.6
101.02338	12.5
109.02819	2.9
113.02296	5.5
116.92731	1.8
117.35896	1.3
119.03362	3.0
125.02322	3.6
125.09590	1.6
151.11166	2.7
153.01802	2.5
161.04424	1.9
161.09576	2.6
171.10153	2.5
179.10684	5.0
197.11771	54.1
209.11749	3.0
210.12079	2.3
221.11678	1.4
223.09717	4.5
229.55608	2.0
231.73917	1.4
235.08089	1.5
237.31892	1.3
241.10754	5.6
255.23262	31.9
256.23648	2.0
268.23541	1.8
293.21167	3.0
297.46225	1.2
397.13568	5.7
412.02670	1.2
415.14566	2.0
443.79999	1.4
446.17377	1.3
661.80511	1.5
877.47980	100.0
878.48328	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	879.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96090	2.4
69.03327	1.1
71.01255	9.6
73.02804	1.5
78.95753	2.2
78.98456	8.8
79.95121	1.2
79.95604	46.1
80.96388	100.0
85.02827	4.2
87.00732	2.9
94.97404	1.6
94.97961	21.1
96.95855	2.8
97.02814	1.4
99.70415	0.8
101.02303	2.5
106.97961	4.6
122.97456	4.9
125.02306	3.1
127.03883	1.2
134.97484	6.0
136.99077	2.0
143.86096	0.8
148.99040	8.2
152.98528	8.1
164.98547	13.5
171.10138	1.4
182.99658	1.1
191.86308	0.9
206.99544	2.4
225.00703	25.6
241.00810	1.5
255.23259	3.3
283.04779	1.4
341.05234	1.3
411.12668	0.8
425.14627	1.6
453.14111	1.8
537.27289	3.7
609.29913	2.1
637.32867	1.3
679.36926	1.0
709.38379	64.7
710.38593	11.0
735.39575	1.1
737.39532	3.4
757.78717	1.1
763.38800	1.6
765.40717	8.1
766.40576	1.5
781.40662	8.8
782.40759	1.5
879.48486	53.9
880.48846	14.8
899.82831	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	877.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.4
65.43851	0.3
66.22498	0.4
66.96264	0.4
68.99696	0.4
69.03318	5.5
71.01250	16.0
71.04881	1.4
72.99180	1.2
73.02821	1.9
75.00745	0.6
78.95762	0.4
80.96394	0.5
81.03326	0.6
83.01240	2.1
83.04922	0.4
85.02821	4.0
87.00751	3.1
89.02314	10.8
95.01264	0.8
97.02839	2.3
97.06452	1.3
99.00739	1.2
101.02319	11.0
108.02021	0.4
111.04404	0.6
113.02335	4.4
119.03381	2.3
121.02852	0.6
123.08034	1.3
125.02313	3.1
125.09608	2.3
143.03377	1.1
151.11224	2.8
153.12753	0.9
161.04425	1.2
161.09616	4.2
179.05536	0.7
179.10704	5.9
197.11754	37.9
198.12109	1.7
205.08588	0.4
209.11716	3.2
210.12016	0.6
221.06625	1.8
223.09741	1.1
227.12848	0.5
235.08153	1.2
241.10698	2.3
255.23254	49.3
256.23566	3.7
269.24921	0.8
379.12500	0.7
397.13486	3.1
415.14206	0.7
463.31049	0.4
621.24200	0.5
714.01904	0.5
771.56293	0.4
877.47943	100.0
878.48303	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	15.4
64.15211	2.0
71.01243	5.6
80.96376	2.6
85.02782	3.7
86.15025	2.0
87.00753	6.1
88.98669	6.6
89.02303	3.0
98.19800	6.1
101.02302	3.9
113.02329	3.3
116.44725	2.3
116.92740	8.7
125.02276	3.6
127.56687	2.4
143.03291	2.2
171.10205	11.7
195.13782	4.9
196.14746	1.7
197.11670	2.5
209.11838	4.4
211.13281	3.8
212.63226	1.8
223.13321	4.4
223.63893	2.2
235.08217	15.6
253.06741	3.6
253.09267	50.7
275.02023	3.2
275.20154	4.8
291.19601	4.0
293.21225	100.0
294.21680	11.8
300.99820	5.3
309.20618	7.1
327.17801	3.6
327.21765	68.4
328.22202	5.9
329.23196	5.9
344.40399	2.3
395.69656	2.2
439.47598	2.1
466.10553	2.1
467.00034	2.0
529.30261	12.6
545.29688	6.9
563.30847	11.5
603.42682	5.5
839.51123	9.3
840.52002	4.5
852.19550	2.7
875.33118	4.3
875.49170	37.5
876.49384	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	873.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	2.2
69.03320	2.0
70.26193	0.9
71.01242	3.3
72.99207	0.3
73.02802	0.7
78.95741	0.3
83.01238	0.6
83.04884	0.5
84.02023	0.4
85.02819	7.5
87.00742	0.8
88.98677	0.3
89.02309	2.6
95.04921	0.6
96.95863	0.6
97.02814	0.9
97.06462	2.6
98.95498	0.2
98.96347	0.2
99.00762	0.5
101.02321	3.2
107.04946	0.3
109.02785	0.3
111.08017	0.3
113.02327	1.6
116.92729	0.3
119.03391	0.7
119.08510	0.4
121.02798	0.3
123.04328	0.3
125.02325	0.6
125.09611	1.0
127.11152	1.4
137.02321	0.6
137.09613	2.1
138.09863	0.2
153.09067	0.2
155.10641	1.1
155.14375	0.3
161.04457	1.5
165.12726	0.6
167.10710	0.2
167.14301	0.7
171.10170	24.4
172.10516	0.9
175.03905	0.7
177.12709	0.8
179.05484	0.4
183.13860	2.1
185.11737	0.8
193.12260	0.5
197.11777	0.6
201.11235	1.1
203.10660	0.4
209.11761	1.8
211.13327	12.5
212.13678	0.5
221.11835	2.1
227.12804	0.4
229.14394	8.8
230.14725	0.6
235.08167	0.8
239.12843	1.9
253.09244	17.2
254.09595	0.7
257.13943	0.3
273.04404	0.2
275.01996	0.3
291.19626	2.7
292.20215	0.2
300.99905	0.4
309.20654	2.3
327.21741	100.0
328.22089	7.6
372.06024	0.2
450.84915	0.2
545.29871	0.4
563.30676	9.0
564.30994	0.9
619.41534	0.3
637.43225	3.0
638.43994	0.4
873.51422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	78.4
71.01256	16.9
81.03397	7.5
89.02307	12.4
101.02319	14.8
104.78271	6.3
107.71473	7.8
111.08100	8.5
116.92701	7.5
125.02319	11.1
143.74159	7.5
171.10144	9.6
173.75215	8.2
197.11713	51.7
209.11749	12.6
211.13382	8.5
235.08112	9.0
253.09236	36.0
275.20169	9.6
277.21701	18.2
289.18048	38.1
291.19727	93.8
292.19928	13.1
293.21249	100.0
306.63763	7.8
307.19095	47.7
309.20718	54.7
314.48703	8.7
343.24500	7.9
421.80930	7.5
746.17914	8.2
802.18878	9.4
873.48102	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	873.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89315	6.2
61.98694	24.1
62.32810	9.1
71.01242	11.3
73.02792	8.5
76.42037	6.5
99.92519	8.7
106.56039	6.1
112.46422	6.4
116.92741	100.0
118.36240	6.2
167.53394	6.3
171.10208	12.3
185.22455	7.8
197.11707	25.9
201.87433	7.6
253.09302	20.8
268.48541	6.7
291.19598	18.8
301.69104	8.2
309.20737	71.5
343.24762	8.4
545.29749	14.0
873.47900	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
71.01250	16.5
71.50723	23.4
78.95794	16.3
80.96403	19.1
85.85612	12.5
86.50483	11.6
88.98658	46.0
89.02282	17.9
116.92726	49.0
133.04887	12.6
191.30528	14.7
197.11830	27.2
227.12868	26.7
253.09227	21.6
293.21124	35.1
300.99887	22.5
309.20651	99.1
366.88190	14.8
503.12875	12.5
542.40271	13.8
543.62512	12.8
739.42352	31.9
873.47986	46.9
904.39661	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	873.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	3.3
67.01768	0.2
69.31696	0.7
69.32120	1.2
71.01254	0.2
82.32951	0.2
88.49949	0.2
89.00197	0.5
89.97653	0.2
91.01791	0.6
93.03332	1.6
97.02821	2.8
107.01230	0.2
108.02036	0.3
109.02825	1.5
121.02843	12.8
122.03185	0.7
124.01540	0.3
125.02345	0.7
133.02818	0.2
134.65865	0.3
135.04402	0.5
137.02347	0.4
139.03954	0.6
139.73239	0.2
148.01503	0.2
149.02351	1.3
149.41829	0.2
149.99475	1.4
151.00323	1.1
161.02315	0.5
163.00258	0.9
165.01842	33.8
166.02165	1.2
168.00514	0.2
169.01265	0.2
174.03085	0.4
175.03896	0.3
179.03424	0.7
183.02881	0.4
190.99846	0.3
191.05499	0.7
193.01364	5.1
207.02893	0.6
209.11829	0.2
226.02634	0.5
227.03294	0.5
228.04245	0.7
241.04997	0.2
243.02939	0.9
244.03725	0.6
247.13301	0.4
248.62808	0.2
254.02155	0.6
255.02841	1.1
256.03763	0.6
259.06082	1.0
269.04514	0.3
271.02478	5.0
271.05612	0.4
272.03143	1.1
283.02411	0.3
287.05637	2.0
293.58902	0.2
297.04129	0.3
300.02728	7.9
300.99957	0.4
301.03186	0.5
307.06119	0.8
309.07803	0.3
313.03625	0.5
315.05090	100.0
316.05417	7.9
330.03870	0.4
335.05490	2.8
341.25790	0.2
351.09109	0.2
395.00757	26.8
396.01089	2.3
449.14383	0.3
477.10172	0.8
630.78998	0.2
640.36261	0.2
729.80939	0.2
739.33887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	5.3
69.03340	3.7
71.01252	12.9
71.01623	1.1
71.04905	0.6
71.23421	0.5
71.50826	1.1
72.99206	0.7
73.02818	3.7
75.00721	0.6
76.12783	0.5
78.02920	0.6
78.95790	1.0
80.02542	1.5
81.03334	1.6
83.01260	3.9
83.04897	3.3
85.02819	10.2
85.03304	1.0
86.43597	0.6
87.00761	4.2
87.04389	0.6
89.02313	7.0
93.03366	0.5
95.01244	1.3
95.04905	1.6
96.95882	4.9
97.02837	4.2
97.06462	4.8
99.00755	2.1
99.92444	7.7
101.02328	8.1
109.02811	0.8
109.06466	1.6
111.00764	0.9
111.08049	2.0
113.02323	5.0
114.93265	1.1
115.03904	0.6
116.92744	80.4
117.01823	3.1
117.92760	4.6
119.03407	2.0
119.08534	1.0
121.06516	0.6
123.04431	1.9
123.08028	1.5
125.02343	0.8
125.05973	1.1
125.09602	7.5
125.10422	0.7
127.07502	0.9
127.11187	2.4
131.03467	0.8
133.04866	0.6
135.08020	1.0
137.06079	0.6
137.09587	4.6
142.15483	0.5
143.03421	0.8
145.05013	0.7
149.05966	0.7
151.11220	0.8
155.10681	1.4
155.14308	0.7
159.96544	0.5
161.04448	3.4
163.07588	0.6
163.11201	5.0
165.12720	2.4
165.14056	0.7
167.10660	1.9
169.01346	0.7
169.12250	1.4
171.10170	31.0
172.10562	1.3
177.12831	1.0
179.05548	1.3
181.12236	2.2
183.13850	3.3
185.11769	7.3
191.10652	0.8
191.14326	4.3
193.12315	1.3
195.13875	0.9
197.11758	13.7
198.12114	0.9
199.13356	0.8
201.11246	1.9
207.10191	1.8
209.11760	47.0
210.12050	1.8
211.13336	19.5
212.13655	0.7
215.12703	0.5
217.15880	0.7
217.87898	0.5
221.11726	3.1
223.13356	1.0
225.11261	2.0
227.12833	7.7
229.14400	10.3
235.08156	6.0
237.11206	2.2
239.12816	2.1
245.19077	7.6
247.20787	1.0
253.09254	25.5
254.09593	1.0
263.20096	1.2
271.17123	1.0
279.19638	0.6
289.18085	34.0
290.18488	2.8
291.19650	10.8
292.19882	0.9
293.21225	5.8
293.98044	0.6
294.21536	0.8
300.99783	1.8
307.19138	28.8
308.19498	2.1
309.20685	16.3
309.24274	0.9
310.21008	1.2
325.20126	1.6
327.21750	100.0
328.22046	6.4
343.21133	1.5
391.02899	0.8
397.13318	1.5
415.14301	0.7
445.20877	0.9
465.95718	0.7
466.02731	0.6
543.28204	0.7
563.30731	0.7
829.62860	0.6
871.51349	2.6
872.49835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.7
68.88258	0.4
69.03320	1.6
69.21324	3.5
71.01249	14.9
72.01598	0.4
72.43922	0.3
72.99191	1.5
73.02814	2.4
75.00746	0.4
78.95782	0.5
79.95627	0.4
81.03326	1.2
83.01237	1.6
83.04893	0.8
85.02831	3.5
87.00756	3.8
89.02312	12.8
95.01263	1.1
95.04893	0.5
96.95280	0.7
96.95888	9.6
96.96846	0.6
97.02822	2.2
97.06488	0.5
98.95470	3.6
98.96232	0.5
99.00749	1.6
99.92457	0.6
100.00957	0.3
101.01637	0.5
101.02319	10.0
103.66763	0.3
109.55666	0.3
111.04379	0.6
111.08049	0.5
113.02337	5.9
115.00275	0.3
115.91946	0.7
116.92743	6.0
117.92705	0.7
119.03381	3.9
121.02843	0.5
125.02336	5.1
131.03384	1.1
139.03929	0.6
141.01820	0.8
143.03397	1.7
149.04417	0.7
151.03859	0.4
153.12762	1.5
161.04428	2.7
169.12227	6.5
171.10179	0.7
179.05524	3.8
179.10744	0.5
179.14261	0.9
195.13837	7.3
196.14316	0.4
197.11754	77.1
198.12082	3.7
199.06065	0.4
199.13344	0.4
205.12260	0.8
205.15950	0.5
209.11739	1.8
211.13358	1.1
221.06567	1.3
223.13354	5.4
224.13672	0.4
225.14874	0.8
227.12747	0.5
228.13646	0.8
235.08183	4.8
239.12810	0.8
253.09146	2.6
256.13144	1.2
263.07617	0.6
275.20126	4.6
287.07660	1.3
289.17987	1.0
291.19589	0.8
292.19968	0.7
293.21204	100.0
294.21512	8.7
300.99838	0.8
305.08737	1.7
309.20721	1.2
310.21216	0.8
317.21155	0.4
323.09750	1.0
327.21722	0.9
341.23285	1.3
342.23581	1.5
343.24161	0.6
379.12460	3.4
397.13474	34.1
398.13782	2.1
415.14523	13.0
415.19070	0.3
416.14899	1.1
473.32578	0.6
577.24792	2.2
595.26031	4.0
596.26093	0.5
673.34259	1.2
676.78394	0.4
691.35791	2.2
871.47925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89188	1.4
61.98706	7.4
69.03306	2.4
69.79679	7.4
71.01250	20.4
72.99134	1.5
73.02814	1.9
75.00710	1.9
78.95773	2.1
80.96398	1.6
81.03314	1.6
83.01235	2.0
83.04877	2.3
85.02830	7.9
87.00728	3.8
89.02322	11.8
91.13561	1.1
92.69330	1.3
95.01242	1.9
95.04875	1.7
97.02824	3.7
97.06490	6.0
99.00726	2.6
101.02317	11.4
109.06447	1.2
113.02311	5.0
118.88525	1.3
119.03358	2.4
125.02276	5.6
125.09586	1.9
133.10101	1.3
143.03357	1.5
151.11200	9.2
157.35352	1.1
167.19649	1.3
169.12262	40.4
170.12540	2.1
171.10129	2.4
185.11693	1.9
193.12167	1.5
195.10078	1.5
195.13622	1.5
209.11775	6.9
210.11995	2.1
213.11198	5.9
215.12794	2.0
221.06694	1.7
235.08041	3.4
242.21571	1.2
253.09200	4.5
277.21716	32.9
278.21976	2.8
279.23276	2.5
280.23691	1.3
289.18088	1.9
291.19705	6.1
293.21164	10.2
294.21622	1.4
295.22510	2.7
301.21500	1.5
307.19315	1.6
309.20633	2.3
341.23358	7.7
343.24680	2.7
397.13342	5.0
462.98663	1.2
593.24457	2.5
871.46771	100.0
872.47119	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	15.5
68.99680	0.9
69.03314	1.7
70.06174	5.3
71.01252	18.5
71.04884	1.6
72.99174	1.9
73.02807	4.0
75.00748	1.4
76.22684	0.9
78.95779	2.3
80.96383	1.0
82.67133	0.8
83.01243	2.7
83.04900	1.3
85.02811	5.4
87.00735	3.8
89.02312	13.1
95.01241	1.1
95.04912	1.3
96.94436	1.6
96.95876	2.9
97.02828	1.8
97.06476	6.3
99.00747	2.1
99.08000	1.1
101.02318	13.2
109.06445	2.2
111.00710	1.2
111.04366	1.0
113.02331	6.1
113.09618	1.9
119.03365	3.1
121.06389	1.0
125.02332	3.0
125.09634	1.0
143.03427	1.6
151.11188	12.7
161.04462	2.6
167.10654	1.0
169.12242	63.3
170.12563	3.5
171.10120	3.4
175.02394	1.2
179.05634	2.1
185.11652	1.3
189.12711	1.1
193.12276	3.4
195.13817	3.6
197.11684	1.3
211.13393	1.7
213.11284	10.0
221.06601	3.0
223.13341	1.5
225.14868	3.1
235.08177	1.8
237.15004	1.4
241.14304	4.0
243.15828	1.3
253.09207	10.9
268.34415	1.0
275.20023	1.5
277.21704	15.6
278.21896	1.5
287.16556	9.1
289.18091	1.7
291.19644	4.3
293.21194	39.8
294.21494	3.0
295.22784	5.3
305.17551	21.7
306.17865	1.2
307.19177	1.4
309.20456	1.5
341.23267	19.6
342.23495	1.4
343.24860	5.3
397.13266	2.5
411.58014	1.1
415.14166	1.3
593.24231	1.3
611.25574	4.0
745.11481	1.1
871.46851	100.0
872.47327	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	870.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24998	0.1
61.98699	100.0
62.98411	0.1
71.01253	0.1
79.95605	0.2
80.96391	0.6
94.97974	0.1
98.20586	0.3
102.60883	0.1
111.15357	0.1
125.02363	0.1
164.98563	0.1
171.10094	0.1
189.08321	0.1
295.22842	0.1
798.44708	0.1
803.09216	0.1
836.62317	0.1
870.47711	0.1
871.48120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98385	0.8
61.98697	11.3
66.09496	0.7
71.01250	2.3
71.05817	1.1
71.06153	1.4
78.95772	28.2
79.95603	2.3
80.96373	6.3
89.02277	0.9
94.97946	1.4
96.95821	1.1
113.09577	2.1
114.93303	1.2
146.68877	0.8
152.99541	3.9
164.98491	0.8
168.04233	4.9
169.12241	0.6
179.14339	1.5
181.12244	1.0
195.13831	23.4
196.14145	1.0
205.12239	1.3
211.13304	2.1
217.72397	0.7
223.13315	6.6
224.06819	3.7
225.00607	1.7
228.13664	1.4
233.67957	0.7
256.13123	1.2
275.20090	4.2
277.21698	12.4
278.21979	1.7
293.21210	49.0
294.21436	4.8
295.22763	53.2
296.23148	4.2
307.22778	0.7
321.85526	0.7
518.28906	1.6
520.30481	1.5
725.44067	8.8
726.44427	1.7
759.58240	1.0
796.51294	100.0
797.51593	20.8
810.52295	1.2
870.47772	8.8
871.46716	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	869.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	3.2
69.03335	1.9
71.00901	0.6
71.01254	6.2
71.04883	0.6
71.50939	0.6
71.80195	0.4
72.99175	0.5
73.02815	1.8
75.00747	0.6
78.95786	1.0
79.95616	0.4
80.96373	0.8
81.03321	0.8
83.01249	0.9
83.04869	1.5
84.02026	2.6
85.02828	2.2
87.00748	1.4
89.02320	4.3
94.41283	0.4
95.01228	0.7
95.04870	0.5
96.95885	7.2
97.02839	2.4
97.05885	0.6
97.06461	7.4
99.00737	1.0
99.04391	0.5
99.92420	1.9
101.02322	5.2
103.91512	0.4
111.08029	6.3
113.02335	3.4
116.92746	19.3
117.01805	0.7
117.92717	0.8
119.03388	1.5
119.08582	0.4
125.02290	1.0
125.09576	1.4
126.90311	0.4
127.11121	0.7
135.07986	0.4
137.09589	1.6
137.62364	0.5
143.03358	0.9
151.11201	0.9
153.12733	0.6
161.04453	3.0
163.11147	0.9
165.12804	1.8
167.10704	0.4
167.14394	0.4
169.12254	3.0
171.10175	11.0
172.10524	0.6
175.11249	0.6
177.12750	0.6
179.05550	0.9
181.12230	1.2
182.33514	0.4
183.13788	1.3
185.11711	1.2
193.10498	0.6
193.12257	11.2
195.13893	0.5
197.11758	27.1
198.12044	1.2
199.13361	0.9
209.11732	2.0
211.13350	8.5
221.11769	1.1
223.13348	0.6
225.14902	16.7
226.15199	0.8
227.12741	1.2
235.08249	2.6
240.12730	0.4
243.15964	7.9
247.20645	0.5
253.09256	30.9
253.14513	1.3
254.09508	1.0
263.20087	1.7
265.17981	0.8
273.18518	0.8
275.02039	0.9
291.19672	15.1
292.19980	1.0
293.21255	1.3
300.99854	1.5
305.21213	0.7
309.20709	57.9
310.21100	2.9
323.22186	1.4
325.20215	0.6
327.21695	1.1
341.23312	100.0
342.23645	7.2
545.29791	1.3
577.32428	4.5
633.43616	7.0
634.44037	0.7
851.48022	0.5
860.62799	0.4
869.51416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98434	0.3
61.98695	3.6
62.24962	0.3
67.01746	0.4
69.03327	2.3
71.01247	7.7
71.04880	0.4
71.86254	0.3
72.99163	0.7
73.02808	1.7
76.86924	0.4
78.95773	0.4
79.95606	0.7
80.91525	1.0
80.96378	0.4
81.03311	0.6
83.01242	0.8
83.04891	1.6
84.02032	3.4
85.02818	2.6
87.00729	1.2
89.02315	5.0
93.06974	0.4
93.76362	0.3
95.01254	0.8
95.04904	0.7
96.95882	5.7
96.96835	0.4
97.02828	4.5
97.06464	8.4
97.07100	0.4
98.20589	0.7
99.00741	0.4
99.04382	1.2
101.02324	6.1
107.04885	0.5
109.06454	1.3
111.08049	5.9
113.02335	3.2
116.92734	1.4
119.03378	1.1
119.08537	0.9
121.10111	0.6
123.04398	0.5
123.07994	0.6
125.02306	1.2
125.09639	2.3
127.11192	0.4
135.07993	0.4
135.51138	0.3
137.09613	2.2
139.07426	0.4
143.03384	0.6
145.04924	0.6
145.06070	0.5
151.11165	1.0
153.09091	0.7
153.12755	0.9
155.10631	0.7
161.04459	3.5
163.11171	0.9
164.37360	0.4
165.12723	2.6
167.14256	0.4
169.12215	2.6
171.10178	16.8
172.10439	0.4
175.11176	0.7
177.12796	0.8
179.05505	0.9
179.10675	0.4
181.12254	1.4
183.13779	1.0
185.11742	1.4
191.14345	0.5
193.10503	0.5
193.12257	10.5
193.15889	0.5
194.12611	0.5
195.13861	0.7
197.11757	32.0
198.12076	1.0
199.13290	1.8
201.11259	1.1
203.10754	0.4
209.11760	2.7
211.13327	9.2
212.13670	0.4
221.11786	1.6
223.13380	0.5
225.11340	0.8
225.14906	15.3
226.15099	0.5
227.12817	2.1
235.08197	4.2
239.12759	0.6
243.15947	6.4
247.09309	0.4
247.20636	1.5
253.09247	30.6
253.14523	1.1
254.09637	0.8
263.20212	1.8
265.17978	1.0
273.18573	2.0
275.01950	0.5
289.18066	1.2
291.19650	24.0
292.19952	2.1
293.21191	3.3
297.13110	0.4
300.99899	1.1
305.17654	0.7
305.21042	0.7
307.19055	0.8
309.20688	68.7
310.21091	5.5
323.18710	0.7
323.22333	1.3
325.20123	0.7
327.21805	2.0
341.23294	100.0
342.23633	7.5
357.22845	2.0
397.13443	0.8
478.04541	0.3
527.28491	0.7
545.29803	2.1
577.32062	3.9
633.43542	6.6
633.53253	0.6
634.44257	1.0
869.49487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	4.4
69.03322	3.0
69.91716	4.7
71.01255	10.4
72.99175	0.9
73.02821	1.9
75.00747	1.6
80.41527	0.9
81.03349	2.1
83.01257	6.5
83.04910	3.9
84.02031	4.5
85.02822	4.6
87.00748	2.5
89.02311	6.3
93.03324	1.0
95.04904	1.5
96.95894	1.6
97.02833	2.2
97.06489	7.0
98.19966	1.6
99.00738	1.4
99.04429	1.0
101.02325	9.8
102.26870	0.8
109.06476	1.1
111.00723	0.8
111.08054	7.7
113.02320	5.9
116.92722	1.0
119.03367	2.1
123.08019	0.9
124.25032	0.8
125.02377	1.7
125.09613	8.3
129.01782	1.2
137.09618	1.7
143.03395	1.0
145.05009	1.3
147.11682	1.3
155.10577	0.9
161.04424	3.7
163.11177	2.7
165.12749	2.1
167.10663	1.9
171.10178	13.4
175.11153	1.6
177.12794	1.9
179.05635	0.9
179.10655	3.0
179.14247	0.9
181.12204	1.7
185.11786	1.8
191.10667	5.6
193.12244	9.0
195.13831	7.9
196.14151	0.9
197.11765	2.1
207.10181	1.7
209.11771	17.7
210.12119	1.8
211.13345	4.0
223.13333	5.2
225.14890	11.1
225.73842	0.9
226.12038	4.0
227.12878	1.2
235.08133	5.6
239.12857	2.1
241.14418	45.5
242.14746	1.5
243.15993	4.6
245.19040	1.8
247.20665	2.1
253.09256	22.0
273.18604	1.8
275.20288	4.9
278.22220	1.1
289.18143	6.0
291.19656	100.0
292.19974	6.4
293.21231	37.2
294.21695	2.5
305.17636	1.8
307.19012	3.3
309.20685	4.5
321.20743	5.0
341.23306	68.6
342.23654	3.9
343.24966	2.2
461.30988	1.1
513.05389	1.0
745.99658	1.0
869.52069	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	869.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	50.9
69.03357	1.1
71.01252	13.8
71.04899	1.8
71.49414	1.2
72.99171	1.2
73.02808	2.7
74.55576	1.0
77.25815	1.2
78.95764	5.0
79.95601	2.6
80.02555	1.6
80.96404	4.1
81.03342	2.2
83.01256	1.6
83.04889	6.6
84.02046	2.3
85.02818	4.5
86.65401	0.8
87.00764	3.6
88.98671	1.3
89.02314	6.0
89.20753	1.0
94.97986	1.5
95.01263	1.4
95.04897	2.1
96.79903	0.9
96.95885	22.4
96.96834	2.3
97.02813	1.9
97.06461	3.1
98.03642	0.9
98.95477	2.6
99.00754	1.1
99.04405	3.7
99.08051	2.3
101.02311	9.8
109.02854	2.1
109.06449	2.1
110.03588	1.1
111.00768	1.7
111.04417	1.1
111.08040	1.3
112.05197	1.9
112.98551	1.0
113.02332	5.0
115.07549	4.1
119.03377	1.6
121.02828	1.4
123.04408	2.3
123.08038	2.3
125.02319	3.8
125.06042	1.1
125.09589	9.2
127.07553	5.8
127.11237	1.0
135.08058	5.0
137.02367	1.3
137.09628	1.2
139.07553	2.1
141.09106	2.5
143.03433	1.0
143.07031	1.2
145.04932	1.3
149.09714	1.4
153.09109	23.4
155.10674	4.2
159.05621	0.8
161.04488	2.4
163.11215	5.6
164.98529	1.2
165.12769	3.2
169.12280	1.2
171.10175	47.0
172.10481	3.2
178.09915	4.7
179.10622	1.2
181.12260	1.8
185.11768	12.8
191.10664	3.0
191.14331	2.9
197.11760	15.7
201.11327	1.5
207.10277	1.3
209.11765	75.6
210.12033	4.7
211.13295	2.6
219.10027	1.1
219.13840	1.3
221.11653	1.1
223.13434	2.4
225.11378	1.0
227.12833	3.1
235.08177	4.3
235.20598	1.7
238.12045	2.4
245.18991	4.7
253.09216	13.5
263.20175	1.5
271.16995	1.1
275.01874	1.7
279.19611	3.1
289.18073	19.2
290.18219	1.2
291.19620	2.8
293.21136	1.3
297.20749	2.3
300.99829	3.6
305.17636	4.1
307.19128	100.0
308.19403	7.9
309.20682	3.2
316.78601	0.9
323.18594	2.9
325.20175	41.9
326.20505	3.4
327.21835	5.2
407.19183	1.4
474.20969	1.2
525.26953	3.1
541.26910	1.5
543.28070	27.0
544.28400	3.8
545.09558	0.9
553.54010	1.1
561.28625	5.4
663.53125	1.1
697.38483	3.3
709.37640	2.6
727.38818	2.5
735.39734	1.3
753.40765	1.4
764.39697	1.8
770.53381	1.0
782.41229	2.7
800.40906	1.3
833.46924	9.0
834.47003	2.7
851.48035	11.1
852.47748	3.1
869.49005	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	869.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97157	0.7
61.98701	60.2
63.96107	1.8
71.01254	9.1
73.02813	1.9
75.00749	1.0
78.95779	1.0
78.98462	8.6
79.95605	50.3
80.96387	85.3
85.02816	3.5
87.00742	3.0
94.97958	19.8
96.95890	2.4
97.02825	1.6
98.19753	1.2
99.00748	1.0
101.02315	2.7
106.97976	3.8
109.61530	0.6
113.02318	0.8
122.97475	4.8
125.02325	4.0
127.03931	0.9
134.97470	5.8
136.99019	1.6
148.99036	7.2
152.98521	7.5
161.04445	1.9
164.98540	12.8
179.00127	0.8
184.08821	0.6
205.23387	0.7
206.99626	4.4
211.13388	0.9
225.00682	25.2
241.00267	1.0
243.02185	0.7
274.88977	0.8
283.05051	4.7
293.21158	1.2
341.05524	3.7
355.06903	2.8
397.11951	0.8
411.13211	0.8
575.25336	3.1
647.27759	1.8
689.31763	0.7
869.47211	100.0
870.47479	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	869.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62296	1.6
69.08127	1.6
71.01250	21.5
72.99178	2.3
85.02792	4.3
89.02328	13.1
94.02855	9.5
96.07149	1.6
101.02325	11.9
106.06499	5.1
108.04439	2.5
109.02824	2.0
113.02317	8.2
119.03387	4.2
122.06008	4.4
125.02308	2.7
130.43610	1.5
132.04503	1.9
134.06006	27.2
135.03003	2.6
135.04437	2.9
136.03912	2.5
148.03964	2.6
150.05515	3.7
152.07042	5.0
166.67790	1.7
168.06557	1.9
169.01292	2.9
171.29121	1.6
173.04399	2.2
179.03430	2.4
190.04942	1.9
191.05527	4.8
201.10201	4.2
211.07597	6.6
220.27167	1.8
225.10339	3.3
227.11772	3.8
229.09789	5.3
237.10297	2.5
239.11876	4.8
249.10344	3.6
251.11989	2.1
252.09038	3.9
253.09793	4.6
255.11247	3.1
257.12976	2.4
263.08127	4.3
265.09708	3.8
266.10709	2.1
267.11392	5.4
271.02292	1.9
277.09744	7.4
278.10468	3.6
279.07800	4.1
279.11346	6.4
287.05200	2.0
291.07230	2.9
292.08521	3.4
293.04688	3.0
293.09219	9.1
295.10950	3.8
300.02701	5.3
301.00153	2.4
301.03412	5.3
301.11935	3.7
305.09222	2.8
307.10794	5.5
314.12347	2.6
319.13074	10.5
321.08783	2.5
339.09711	5.1
341.06781	4.2
351.09692	2.4
416.16473	3.2
421.19165	2.4
425.17459	2.7
446.17590	2.4
447.09451	7.1
468.15967	2.2
497.17853	2.0
620.22290	3.6
638.23566	8.7
648.22021	6.0
666.23041	19.6
667.22772	3.0
712.27319	6.2
745.26978	4.1
761.29645	3.4
777.29663	5.8
778.29968	2.2
805.29352	61.9
806.29333	12.2
823.15710	2.2
837.31940	100.0
838.32117	26.5
869.34656	24.0
870.35028	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	868.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	7.5
68.86506	0.5
69.33131	0.5
70.82373	0.5
70.82700	1.2
71.01246	2.1
78.95771	32.8
80.96372	1.0
87.00774	0.7
89.02334	1.7
92.00522	0.6
93.71893	0.5
95.04906	0.5
99.04449	0.5
101.02338	1.2
109.04926	0.5
113.02287	0.7
113.09561	0.8
124.99945	0.7
143.97069	0.6
152.99484	5.0
167.10675	0.9
168.04222	6.6
169.12254	1.1
171.10240	3.2
172.10503	0.9
177.12717	1.2
179.14285	2.5
181.12260	1.0
195.13838	19.8
196.14482	1.2
197.11781	0.7
205.12215	1.7
205.15904	0.5
209.11777	4.0
211.13272	1.5
221.71510	0.6
223.13342	14.5
224.06842	4.2
224.13809	1.0
225.14682	0.5
226.41632	0.6
228.13634	2.1
231.20972	0.7
239.90811	0.6
253.08981	0.8
255.23254	2.5
256.13187	2.8
256.23642	1.6
265.21545	1.0
275.20114	9.1
279.23212	2.7
291.19672	0.6
293.21219	94.4
294.21594	5.9
307.22824	1.6
309.20801	1.1
397.13464	2.0
429.20703	1.1
465.32233	0.5
500.28006	1.4
518.28894	3.4
723.42285	12.7
724.42047	3.6
794.49713	100.0
795.50067	18.4
808.50909	2.4
809.46576	1.7
868.50232	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98405	0.1
65.38885	0.0
79.95610	0.2
80.20920	0.0
80.96375	0.3
93.95338	0.0
94.98003	0.0
108.02195	0.1
128.89047	0.0
155.13278	0.1
164.98549	0.1
170.83299	0.0
178.05885	0.0
182.72441	0.0
225.00719	0.1
273.90622	0.0
293.21259	0.1
294.21356	0.1
869.47375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	3.4
69.03325	0.8
71.01254	16.4
72.09605	0.7
72.99178	1.7
73.02821	2.8
78.95780	2.2
80.96390	2.2
81.03326	0.9
83.01264	1.8
85.02821	5.0
87.00742	5.0
89.02314	15.6
94.97921	0.9
95.01263	1.9
97.02801	3.8
98.19746	1.1
99.00752	1.0
101.02320	14.9
111.00751	1.2
113.02318	7.7
115.03898	0.9
119.03352	4.2
125.02336	6.7
127.11140	1.5
131.03345	0.8
139.44580	0.8
143.03409	3.4
157.67616	0.8
161.04431	3.8
167.03348	1.1
171.10173	100.0
172.10506	4.6
176.19057	0.8
179.05545	3.4
195.13789	4.7
196.97748	1.0
199.06009	1.1
217.07182	1.8
219.05278	0.9
235.08141	5.1
253.09273	7.5
255.23268	71.6
256.23590	4.7
277.21622	4.0
287.07675	2.7
292.08908	0.8
293.21249	17.1
295.22760	23.2
296.22949	1.3
305.08807	2.4
323.09827	1.9
329.23608	0.9
379.12442	18.8
380.12695	1.2
397.13470	43.4
398.13818	2.5
415.14462	7.2
531.31897	1.6
551.23541	4.7
552.23492	1.5
569.24268	3.0
571.43829	1.3
635.36395	3.6
653.37115	4.6
793.53900	2.4
794.49463	1.6
867.48083	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	867.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.1
71.01252	7.6
72.99168	0.8
73.02807	1.4
73.20801	0.4
80.02562	0.9
81.03326	1.7
83.01257	1.7
83.04900	5.0
84.02018	1.0
85.02801	2.1
87.00764	2.1
89.02319	6.7
93.03337	0.5
95.04899	0.9
96.95881	1.0
97.02820	1.1
99.00781	0.7
101.02331	6.4
109.02852	0.8
111.00713	0.6
113.02357	3.0
114.72050	0.4
119.03398	2.0
121.02718	0.5
125.02336	3.8
135.08070	0.8
143.03395	1.1
161.04465	1.7
162.20317	0.5
163.11192	3.9
165.12764	2.6
169.01338	0.9
171.10095	0.7
174.03149	0.6
175.03876	0.6
179.03503	0.4
179.05464	2.3
180.28119	0.5
181.12296	1.1
191.10744	1.2
201.87910	0.5
209.11772	100.0
210.12120	5.7
221.06644	0.5
227.12854	16.2
228.13074	0.5
235.08311	2.6
301.00031	1.0
305.08801	0.9
323.09601	0.6
360.91293	0.5
371.05695	0.5
379.12558	3.3
397.13504	21.4
398.13870	1.4
415.14517	5.8
589.24939	0.6
607.26080	2.3
806.74554	0.5
849.36597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.162
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02237	0.7
65.00178	1.4
69.20689	3.0
69.21109	1.8
79.74614	0.4
83.01235	1.2
98.19851	0.9
107.01261	3.2
108.02036	1.4
109.02835	2.8
121.02837	3.0
125.02346	0.7
135.00758	0.8
137.05167	0.4
139.03809	0.6
147.80524	0.5
148.01532	1.7
151.00272	17.0
152.00745	0.7
159.04393	0.9
162.68762	0.5
163.00253	4.0
164.00912	0.6
169.01294	1.2
174.03029	0.4
178.99783	7.8
180.00224	0.6
183.04456	1.0
187.03841	0.6
198.03255	0.5
199.03958	0.4
201.05650	0.9
211.03931	1.3
215.03369	0.9
226.02623	1.6
227.03465	3.1
227.62086	0.4
228.04170	0.6
229.04988	1.6
239.03563	0.7
243.02953	10.0
244.03439	0.9
245.04510	2.8
254.02281	2.0
255.02960	26.7
256.03387	2.5
271.02466	52.5
272.02884	4.5
273.03998	1.6
283.02423	2.5
299.01999	1.4
300.02728	98.6
301.03497	80.9
302.03845	6.3
386.43915	0.5
433.07742	100.0
434.08051	9.9
490.12704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71017	0.1
61.98700	100.0
62.24470	0.1
62.98420	0.2
69.54797	0.3
69.55206	0.7
71.01295	0.1
78.95786	0.3
79.95584	0.1
80.96393	0.3
88.12785	0.2
89.02322	0.2
101.02315	0.2
117.93807	0.1
118.30353	0.1
122.97562	0.2
152.68727	0.1
167.13078	0.1
171.10240	0.6
201.11314	0.3
209.11827	0.4
210.12138	0.2
225.86086	0.1
255.23187	0.7
256.23715	0.2
289.83359	0.1
397.13669	0.3
603.94745	0.1
721.46124	0.2
792.52917	0.2
866.51196	0.3
867.46088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66317	0.3
69.44029	0.9
69.44454	0.7
74.62881	0.2
75.18860	0.3
79.71289	0.2
81.94064	0.2
109.70544	0.2
125.02335	0.5
127.03983	0.2
131.54100	0.2
132.02094	0.3
172.01523	0.7
173.02277	0.4
185.02325	0.6
188.01140	0.4
200.01097	0.7
201.01878	0.5
216.00580	1.1
228.00468	1.3
229.01378	1.2
242.99298	0.6
244.00081	1.6
245.00729	0.3
257.00882	1.2
271.99646	1.6
273.00131	0.3
282.98779	1.1
283.99683	0.9
298.98398	0.3
299.99088	58.1
300.99844	64.4
302.00171	4.6
307.35925	0.3
319.35471	0.3
433.04074	100.0
434.04456	10.1
434.10556	0.4
650.97284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
67.48780	0.1
70.51942	0.1
70.83495	0.1
71.01257	0.2
78.95785	0.3
80.96398	0.1
84.45979	0.1
88.98693	0.2
96.95863	0.6
105.02486	0.1
119.67835	0.1
171.10266	0.2
207.10176	0.1
209.11703	0.7
211.13414	0.1
229.72256	0.1
232.01768	0.1
250.30737	0.1
307.19275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.1
71.01254	2.1
71.50211	1.1
78.39397	1.0
81.03328	1.5
83.01251	4.2
89.02318	1.1
93.03324	1.6
95.04898	1.8
97.02843	1.8
107.04889	2.5
109.02839	9.8
121.02818	3.0
123.04392	6.6
125.02335	100.0
126.02644	3.7
131.04912	2.5
133.02824	5.6
135.04384	2.8
137.02338	16.3
139.03882	2.6
147.04359	1.7
149.02356	4.6
151.03899	12.3
159.04395	3.0
161.02348	29.2
161.06000	2.0
162.03069	2.3
163.00240	3.3
163.03891	4.1
164.01009	4.1
165.01834	5.6
167.03392	2.0
169.01332	1.5
174.03189	1.5
175.03912	32.1
176.04254	1.5
177.01839	12.1
177.05496	1.7
179.03406	2.7
179.05594	1.6
187.03905	4.6
188.04672	2.3
189.01825	2.8
189.05380	1.0
191.03436	1.7
193.05049	1.6
199.03940	2.9
201.01764	1.7
201.05493	2.5
203.03391	3.1
203.07065	3.7
205.04953	3.0
211.04015	1.4
213.05554	1.3
215.03448	1.5
217.04984	8.1
219.02892	3.0
219.06467	1.0
222.12129	1.0
227.03520	1.5
229.01428	1.1
229.04990	2.6
231.02835	1.5
241.05144	1.3
243.02957	19.6
243.06613	1.6
244.03380	2.1
245.04495	11.0
245.08107	6.1
248.59836	1.1
255.03009	6.5
256.03668	2.8
257.04379	2.2
261.04025	9.4
269.04526	4.1
271.06137	1.1
273.03940	2.4
275.01910	1.1
281.04514	2.8
283.02386	2.8
285.04166	1.3
287.05603	32.6
288.05997	3.0
289.07156	19.5
290.07440	2.0
297.04391	1.3
299.05630	3.8
300.99847	2.5
301.56250	1.1
327.04825	1.2
329.06320	1.6
331.53036	1.1
339.08502	1.3
341.06470	1.7
363.04861	1.6
383.07358	1.3
391.04529	1.4
395.07504	2.2
405.06100	5.2
407.07684	22.2
408.07928	2.9
413.08716	10.0
423.07062	5.3
425.08728	11.9
433.09497	1.1
449.08813	6.2
451.10391	6.6
525.08209	1.7
543.09180	4.5
561.09589	1.5
562.11029	1.2
569.11176	2.2
575.11884	6.7
577.13281	10.8
578.13916	2.2
587.11816	2.4
654.21393	1.1
695.14185	7.4
696.14233	1.6
713.15167	2.3
739.16510	1.5
833.41638	1.5
865.19409	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	865.199
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55280	1.1
70.48170	4.0
82.77325	1.1
83.01257	4.3
97.02842	2.1
100.85658	1.2
107.04897	2.3
109.02832	13.3
121.02824	3.2
123.04416	7.7
125.02329	100.0
126.02665	1.9
133.02847	6.7
135.04413	2.7
137.02332	14.4
139.03922	2.3
149.02342	4.6
151.03886	11.4
159.04364	2.2
161.02339	34.4
161.05992	1.8
162.03073	2.8
163.00270	2.7
163.03937	5.5
164.01129	6.9
165.01836	4.6
167.03380	1.7
167.29340	1.0
175.03935	16.8
177.01823	11.3
177.05423	1.6
179.03459	3.1
185.05963	1.7
187.03899	5.1
189.01828	2.1
190.02414	1.3
193.04997	2.6
199.03967	4.2
201.01802	1.7
201.05519	2.9
203.03380	3.4
203.07021	4.5
205.01274	1.7
205.04979	3.7
211.03952	1.5
215.03355	1.2
217.04994	6.5
219.02904	3.0
227.03470	2.7
229.05014	2.2
231.02895	1.5
243.02950	15.3
243.06613	1.7
244.03331	1.7
245.04469	13.5
245.08130	4.7
249.08990	1.1
255.02888	6.5
256.03638	3.1
257.04517	1.9
261.04050	4.5
262.05881	1.4
269.04391	2.6
273.04166	1.8
281.04477	3.1
283.02502	1.9
285.04083	2.6
287.05582	35.4
288.05966	2.1
289.07150	23.9
290.07526	2.2
299.05597	3.4
337.07159	1.2
339.08713	2.0
341.06494	2.3
363.04855	1.3
383.07785	1.6
405.06198	7.2
407.07654	22.5
408.08057	2.0
413.08716	7.5
414.08966	1.4
423.07364	5.6
425.08688	13.1
449.08707	7.2
451.10336	10.9
458.03348	1.3
543.09473	5.5
559.11499	1.7
561.10272	2.2
569.11340	2.3
575.12213	4.7
577.13647	11.2
587.11676	4.8
695.13934	8.4
696.14917	1.6
713.14777	2.8
739.17261	2.1
865.19525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	2.0
62.03276	0.3
68.99655	0.3
69.03315	1.1
71.01250	16.8
71.21922	0.2
72.99179	1.3
73.02811	3.1
75.00728	0.6
80.02541	1.0
80.50303	0.3
81.03334	1.8
83.01268	2.0
83.04893	4.3
84.02024	0.8
85.02824	4.0
87.00745	4.5
89.02311	14.2
90.02677	0.4
91.03886	0.4
95.01249	1.0
95.04893	0.8
97.02822	2.7
99.00735	0.8
101.02321	12.5
107.32525	0.3
109.06464	0.3
111.04386	0.5
113.02327	7.0
119.03394	3.7
124.01566	0.4
125.01459	0.5
125.02330	6.3
125.05963	0.4
126.02695	0.4
131.03398	0.4
133.04990	0.3
135.08093	0.6
139.03926	0.4
141.01843	0.4
143.03403	2.5
149.04478	0.6
157.05031	0.3
161.04471	3.1
163.11212	3.5
165.12746	2.5
167.03389	0.4
176.09526	0.3
179.05519	3.6
185.75775	0.2
191.10735	0.7
199.06010	0.5
209.11761	100.0
210.12103	5.7
217.07123	0.8
221.06633	1.7
227.12833	12.9
228.13168	0.6
235.08186	5.3
251.12843	0.3
253.09216	0.9
255.23259	56.1
256.23611	4.3
259.08264	0.4
263.07690	0.5
269.24799	0.5
287.07721	1.8
305.08847	1.9
323.09763	1.2
379.12408	7.8
380.12881	0.6
397.13467	39.8
398.13843	3.6
415.14548	8.5
416.14975	0.7
589.25171	0.8
607.25983	0.7
625.42145	0.3
635.36316	0.7
653.37537	1.7
863.49072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.1
71.01249	18.2
71.26929	0.5
71.27273	0.5
72.99172	0.9
73.02814	3.3
75.00754	0.3
80.02547	1.2
81.03319	2.2
83.01264	2.4
83.04887	4.8
83.77361	0.3
84.02025	0.6
85.02818	4.1
85.03295	0.4
87.00746	4.4
89.02311	13.6
95.01263	1.2
95.04891	0.4
97.02824	2.9
99.00753	0.9
101.01627	0.6
101.02313	12.5
107.14921	0.3
109.02825	0.5
109.06474	0.5
111.04417	0.3
113.02317	6.9
115.03943	0.4
119.03378	3.7
125.02334	6.0
125.05988	0.5
131.03421	0.7
133.04942	0.4
135.08043	0.9
139.03888	0.5
143.03369	2.3
144.68596	0.3
149.04408	0.4
151.04053	0.3
159.07167	0.3
161.04456	2.9
163.11201	4.2
165.12718	2.2
179.05505	3.5
181.12245	0.8
191.10696	0.9
203.05624	0.3
209.11760	100.0
210.12114	5.7
217.07141	0.9
221.06578	1.2
227.12823	12.8
228.13185	0.9
235.08168	4.9
251.12712	0.3
253.09213	0.9
255.23250	54.7
256.23621	4.3
263.07593	0.5
269.24872	0.6
287.07800	1.7
305.08865	2.3
323.09775	0.9
361.11383	0.5
373.11902	0.3
379.12402	8.7
380.12628	0.4
397.13452	41.6
398.13785	3.6
402.73413	0.3
415.14517	9.0
416.14999	0.8
481.63287	0.3
541.48273	0.3
551.50922	0.3
589.25110	0.4
607.25861	0.6
621.31238	0.3
635.36206	0.6
653.37506	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	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52491	0.1
61.98685	0.3
64.20800	0.1
66.16632	0.1
69.03316	0.9
71.01251	14.3
71.04902	0.2
72.01573	0.1
72.99174	1.4
73.02824	2.2
75.00742	0.3
78.95777	0.2
80.02544	1.3
80.96368	0.1
81.03327	1.8
83.01261	1.8
83.04895	5.5
84.02031	1.3
85.02815	3.6
85.99957	0.2
87.00749	3.3
87.04388	0.1
88.88845	0.1
89.02314	12.4
91.03886	0.3
93.03311	0.3
95.01276	0.9
95.04912	0.7
97.02827	2.3
97.06460	0.2
99.00754	0.8
99.04396	0.4
101.02320	10.7
109.02832	0.3
109.06535	0.3
111.00760	0.2
111.04427	0.4
112.01634	0.1
113.02328	6.5
115.03879	0.3
115.87052	0.1
119.03382	3.0
121.02864	0.2
123.00781	0.2
124.01519	0.2
125.02333	4.6
125.03259	0.2
125.05987	0.7
125.09627	0.3
126.02613	0.1
127.03844	0.2
131.03392	0.5
133.04916	0.3
135.08078	0.7
137.02332	0.2
139.03891	0.4
141.01831	0.3
143.03398	2.3
147.11734	0.2
149.02328	0.2
149.04433	0.3
161.04463	2.8
163.11198	3.7
164.11504	0.2
165.12764	2.4
166.13165	0.2
167.03368	0.2
179.03882	0.2
179.05515	3.7
181.12215	0.8
185.04384	0.2
186.96327	0.1
191.10680	1.2
199.06071	0.5
199.13348	0.3
201.11148	0.2
209.11768	100.0
210.12115	5.0
217.07068	0.5
219.05061	0.2
221.06645	1.7
223.13388	0.2
225.11250	0.2
226.11513	0.2
227.12837	11.3
228.13185	0.4
229.52095	0.2
229.54222	0.2
233.11627	0.2
235.08200	4.4
236.08635	0.2
245.06624	0.2
251.12915	0.6
253.09215	0.8
255.23267	42.1
256.23630	2.8
259.08121	0.6
263.07657	0.4
269.24619	0.3
287.07709	1.6
305.08743	1.5
323.09851	0.6
361.11267	0.3
379.12427	6.4
380.12830	0.4
397.13483	27.3
398.13876	1.8
415.14548	6.8
416.14883	0.4
427.19958	0.2
589.25049	0.7
607.26105	1.3
635.35443	0.3
653.37524	0.7
654.37659	0.2
863.49463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.3
68.99694	0.3
69.03320	0.8
70.37062	1.0
71.01250	16.1
72.99181	1.4
73.02824	2.2
75.00751	0.4
80.02541	0.8
80.96407	0.3
81.03320	1.7
83.01263	1.9
83.04889	4.3
84.02032	0.7
85.02818	3.5
85.99950	0.3
87.00745	4.3
87.04350	0.3
89.02314	15.2
91.03890	0.4
93.03359	0.3
95.01270	1.1
95.04906	0.5
95.10213	0.2
97.02823	2.6
99.00748	0.9
99.04401	0.4
101.02319	12.3
109.06466	0.3
111.00728	0.3
111.04431	0.5
113.02333	6.4
119.03391	3.9
125.02328	5.7
125.05904	0.4
127.03909	0.3
127.21816	0.2
131.03389	0.8
133.04988	0.5
135.08037	0.4
139.03928	0.4
139.59102	0.2
141.01791	0.5
143.03400	2.6
145.04941	0.4
149.04428	0.5
151.43855	0.2
154.43434	0.2
161.04453	3.1
163.11198	3.2
165.12787	2.0
167.03368	0.3
179.05508	3.9
181.12299	0.6
191.10687	1.1
199.06001	0.5
199.13214	0.3
209.11758	100.0
210.12112	5.4
217.07106	1.1
221.06621	1.3
227.12825	13.0
228.13200	0.7
235.08186	5.1
245.06731	0.4
251.12802	0.6
253.09210	0.9
255.23256	55.7
256.23593	5.2
259.08224	0.4
263.07681	0.4
269.24887	0.7
287.07724	2.0
305.08737	2.2
323.09912	0.9
347.18494	0.3
352.52884	0.2
361.11243	0.3
379.12405	7.8
380.12729	0.5
397.13458	41.3
398.13828	3.3
415.14554	8.8
416.14975	0.4
582.21490	0.2
589.24780	0.6
607.25867	0.9
607.34949	0.2
635.36566	0.3
653.37433	1.9
780.47858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96233	0.4
69.03333	0.6
69.58505	2.9
71.01257	2.0
73.02857	0.5
78.95776	76.5
78.98470	0.7
79.95596	2.3
80.96406	4.9
83.04887	1.2
85.02829	0.6
94.97985	1.4
95.04862	0.6
96.95915	0.7
96.96841	15.3
97.02853	0.7
97.06479	0.7
101.02292	0.6
111.08037	3.5
122.97482	1.0
125.09591	0.7
129.74124	0.5
134.98436	0.7
148.99008	0.5
152.99487	15.4
157.48152	0.5
163.11227	0.8
164.98558	0.8
169.12257	2.6
171.10202	0.6
181.12326	0.6
183.13794	0.5
195.13731	0.6
197.11757	17.1
199.13217	0.9
209.11797	2.9
211.13344	4.0
223.00104	4.3
225.00714	0.9
227.12692	0.5
231.66911	0.5
241.01143	26.7
242.01497	1.0
247.20486	0.6
255.23264	35.8
256.23569	3.0
259.02176	1.9
263.20187	0.7
275.38446	0.5
291.19669	4.7
294.21869	0.5
295.23108	0.6
297.03796	1.2
300.99765	0.8
309.20721	6.2
315.04916	0.8
391.22430	3.1
422.42343	0.5
426.51642	0.5
445.19824	1.3
494.21710	0.5
506.81610	0.5
553.27850	3.8
607.25604	0.7
765.41168	0.8
777.41064	1.2
845.48108	1.1
863.49219	100.0
864.49475	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	863.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96108	1.2
69.03352	0.9
71.01252	9.8
72.63239	0.7
73.02831	1.5
78.95770	8.5
78.98460	5.5
79.95607	93.2
80.96390	100.0
81.03340	0.9
81.95155	0.9
82.95967	2.5
83.38528	0.8
85.02827	3.4
87.00755	4.2
94.97961	22.6
95.01301	0.9
96.95876	3.1
96.96839	3.3
97.02831	2.6
101.02329	3.4
106.97942	4.7
122.97469	5.1
125.02350	5.3
126.59100	0.8
127.03953	1.1
134.97476	8.2
136.99071	3.5
142.68044	0.8
143.03412	0.8
145.29640	0.7
148.60239	0.7
148.99051	8.0
152.98523	8.1
152.99542	2.3
161.04469	1.7
164.98531	16.3
188.98517	0.9
197.11760	2.5
206.99626	7.0
211.13319	1.1
220.02036	0.7
223.99968	1.2
225.00699	35.5
226.00961	1.9
229.40520	0.9
233.14439	0.8
241.00937	4.9
255.23253	10.2
256.23563	1.1
283.04944	2.7
309.20511	1.0
341.05447	5.7
355.07074	2.1
355.68439	0.8
397.11609	1.2
425.14905	5.0
521.16852	1.0
522.08453	0.8
537.27118	4.7
553.27332	1.2
609.29681	1.7
623.15021	0.8
623.31042	1.5
637.32953	3.1
651.33820	1.4
735.39154	1.9
765.41199	2.0
777.41040	17.5
778.41156	3.0
817.43457	1.5
845.47241	5.5
846.47247	1.0
863.48328	66.2
864.48639	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	863.483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96100	2.1
71.01250	11.2
72.32241	0.8
73.02814	1.0
73.95578	0.7
78.95784	8.9
78.98472	7.1
79.95606	100.0
80.96390	98.1
81.03329	1.2
82.95954	1.9
83.20336	0.8
83.41034	0.8
85.02818	3.8
87.00739	4.2
94.97961	18.6
96.95878	2.7
96.96832	2.0
97.02814	2.9
98.19780	2.3
101.02309	3.6
105.88374	0.8
106.25115	0.8
106.97977	4.4
122.97463	7.5
125.02334	4.3
127.03947	1.5
134.97498	8.2
135.90414	0.8
136.98987	3.0
148.99046	7.2
152.98512	8.7
152.99571	1.3
161.04424	1.6
164.98555	19.8
179.00072	1.2
188.98448	1.4
197.11751	2.9
206.99626	7.2
223.99872	1.9
225.00687	40.7
226.01003	1.6
229.38231	1.2
241.00737	3.1
255.23227	8.6
258.59558	1.3
283.04904	2.2
294.66074	1.0
341.05383	7.1
355.06958	2.7
397.11816	1.2
425.14932	5.1
497.16721	1.0
521.17358	0.9
537.27301	8.1
609.13165	1.0
609.29547	3.6
623.30920	1.8
637.32098	4.6
651.34149	1.8
663.90588	0.9
679.37201	1.7
681.88550	1.2
735.39697	8.1
736.39716	1.7
761.41870	1.3
777.40967	24.7
778.41364	3.6
788.43774	1.0
817.42200	1.5
845.47028	9.6
846.47766	2.2
863.48358	64.7
864.48535	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	863.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96101	1.5
64.00564	0.5
69.03317	1.1
71.01250	8.6
73.02815	1.7
75.00751	0.9
78.95762	3.2
78.98463	5.8
79.95605	100.0
80.96388	92.9
81.03325	1.0
81.39186	0.6
83.01221	0.7
83.08317	0.6
85.02814	2.5
87.00742	2.2
89.57114	0.5
94.97962	19.1
95.01293	0.7
96.95874	2.8
97.02829	2.0
98.19811	1.9
99.00765	1.4
101.02306	2.6
106.97964	3.4
111.94621	0.8
113.02299	0.7
122.97472	5.3
125.02320	3.6
126.71224	0.5
127.03894	1.0
134.97467	8.1
136.99043	2.5
143.03340	0.6
148.99049	7.6
152.98509	8.2
152.99536	1.2
157.55894	0.6
161.04466	2.2
164.98531	14.5
164.99855	1.2
166.37772	0.7
179.00117	1.4
197.11826	1.6
206.99619	5.6
223.99893	1.7
225.00687	30.5
226.00917	0.7
241.00128	3.8
255.23302	4.9
283.04984	2.3
309.20935	0.9
341.05457	7.8
342.05945	0.7
355.06955	2.0
397.11777	1.0
425.14871	6.4
496.71667	0.8
521.16919	1.4
537.27502	8.3
538.28033	0.9
579.29028	1.3
609.29333	3.0
623.31213	1.3
637.32507	3.1
637.71893	0.7
651.34015	1.8
679.37335	0.9
684.89502	0.7
697.36871	0.7
735.39899	8.1
736.40131	1.3
777.40887	29.7
778.41412	6.6
845.47162	8.3
846.47845	2.8
863.48376	61.6
864.48901	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	863.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	0.7
65.90331	0.2
66.45616	0.3
71.01232	0.7
81.86217	0.3
89.00141	0.3
91.01784	0.3
97.02822	0.8
98.20635	0.5
101.02292	0.4
109.02833	2.3
121.02837	3.9
124.01546	0.3
149.02348	0.4
149.99536	0.3
151.00253	0.7
163.00235	0.6
165.01834	10.1
166.02142	0.4
170.12782	0.3
193.01370	1.7
199.03879	0.9
202.02573	0.3
207.02814	0.3
209.11653	0.4
226.02664	0.8
227.03476	1.4
228.04251	0.5
229.20906	0.3
242.99052	0.3
243.02922	2.7
254.02145	1.7
255.02887	1.5
256.03799	0.5
269.04602	1.2
270.01666	0.4
271.02475	30.8
272.02951	2.5
282.01877	0.4
285.04123	1.1
287.05634	0.8
297.04019	0.8
299.01953	43.7
300.02615	9.5
314.04312	48.9
315.05066	43.2
315.08978	0.5
315.18152	0.3
316.05457	3.2
461.10876	100.0
462.11197	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	861.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01609	0.2
61.52917	0.3
61.98705	0.6
65.92094	0.2
68.19594	0.2
68.99697	0.4
69.03323	1.3
71.01251	18.4
71.21301	0.4
71.21624	0.4
72.01566	0.3
72.99184	1.2
73.02811	2.7
78.95784	0.6
80.02548	1.2
81.03331	2.0
83.01266	2.4
83.04898	4.6
84.02037	1.1
85.02816	3.8
87.00745	4.6
89.02312	15.4
90.02639	0.2
91.03902	0.4
95.01238	1.1
95.04913	0.7
97.02834	3.2
97.06477	0.3
99.00754	1.2
99.04426	0.5
101.02320	11.8
102.02643	0.3
109.02807	0.5
109.06466	0.6
111.00748	0.3
111.04387	0.6
111.08021	0.3
112.79344	0.2
113.02331	7.0
115.03892	0.3
119.03391	4.3
121.02850	0.4
125.02331	5.6
125.05929	0.5
127.03896	0.2
131.03371	0.5
133.04971	0.5
135.08066	0.7
137.02303	0.2
139.03882	0.5
141.01773	0.4
143.03401	2.7
149.02446	0.2
149.04485	0.3
159.43925	0.2
161.04453	2.9
163.11201	4.1
165.12766	2.7
167.03378	0.4
179.05536	3.2
181.12250	0.6
191.10696	1.0
191.88109	0.2
199.06033	0.5
203.05649	0.4
207.10228	1.4
209.11772	100.0
210.12099	5.2
217.07112	0.9
221.06598	1.2
225.11252	0.8
227.12837	13.1
228.13174	0.8
235.08186	5.6
245.06583	0.5
251.12981	0.4
253.09297	0.7
253.21698	60.4
254.22083	4.5
255.23178	1.3
259.08234	0.4
263.07770	0.4
267.23309	0.7
277.21844	0.3
287.07742	2.1
295.23007	0.3
301.09131	0.3
305.08743	2.1
323.09857	1.0
336.57925	0.3
379.12430	8.1
380.12817	0.5
394.56497	0.2
397.13474	40.8
398.13824	3.1
415.14569	9.3
416.14908	0.6
589.25275	0.6
607.26575	0.6
633.35742	0.4
651.36133	1.2
861.49011	1.1
862.49384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98660	1.0
69.03315	2.2
70.23324	2.7
71.00855	1.1
71.01248	23.2
72.99173	2.9
73.02816	3.1
77.49147	0.7
83.01260	2.2
83.71523	0.8
85.02829	5.7
87.00750	4.5
89.02319	17.9
91.03889	1.1
95.01278	1.8
97.02840	3.5
99.00774	1.0
101.02320	16.2
111.00718	0.8
113.02334	9.8
119.03359	4.4
125.02361	7.1
131.03412	1.4
143.03380	3.2
161.04457	5.1
167.10664	2.4
177.12761	1.1
179.05521	3.8
179.10687	0.8
179.14326	3.4
182.67134	0.8
195.13831	8.0
205.12238	8.7
217.06946	0.8
221.06551	1.8
223.13341	100.0
224.13678	5.2
228.44429	0.9
235.08209	5.9
253.09221	1.3
255.23265	75.0
256.23563	6.1
264.82306	0.8
269.24799	1.3
287.07730	2.7
305.08725	1.8
323.09625	1.2
379.12442	11.4
397.13498	53.8
398.13797	4.0
404.41751	0.8
415.14520	10.2
416.14792	1.0
603.26300	6.2
621.27942	4.3
653.37231	4.6
859.50842	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	859.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	6.0
71.01255	6.4
71.50832	2.1
75.00739	1.9
78.95772	1.8
81.03332	2.5
82.57440	1.6
83.04876	2.2
85.02805	3.4
87.00747	1.8
89.02328	2.8
93.03336	16.4
96.95889	6.5
97.46707	1.7
99.04387	1.8
109.02827	2.4
111.04420	3.4
115.93279	1.8
116.92732	2.7
117.03342	5.3
119.04882	3.9
123.04397	3.0
125.02316	15.1
135.02831	2.5
135.04448	3.7
135.80984	1.6
137.02322	7.5
145.02863	2.0
149.05963	4.0
151.03899	2.9
155.03433	5.6
161.02350	92.0
161.06046	2.3
162.02711	3.9
163.03934	3.6
169.01318	6.3
173.04497	18.1
175.03905	8.6
176.01062	1.8
177.01837	2.8
179.03394	4.5
187.03867	2.0
189.01915	9.6
191.05528	7.6
202.25703	1.8
203.07120	2.0
209.11732	2.5
242.70235	1.6
261.05478	3.6
271.02386	2.9
273.05615	1.7
275.01804	2.9
278.02335	1.8
289.04846	4.3
293.91855	1.6
300.99823	5.7
301.03085	1.9
315.06702	4.2
317.04562	3.0
321.04114	1.9
324.02689	5.4
325.03595	2.4
331.05994	10.0
333.03979	2.8
333.09122	2.0
342.05295	2.4
347.05698	2.2
359.05606	7.3
361.03464	7.4
361.08182	2.9
375.05103	15.3
376.05222	2.2
377.08023	3.1
387.06216	2.6
388.07370	3.2
389.08392	3.2
391.09674	3.9
404.24066	1.9
405.07492	5.7
406.08203	3.8
415.06030	2.2
416.06683	4.1
417.07678	9.5
433.07101	14.1
434.07666	2.8
435.08698	20.4
459.05338	2.5
461.06729	18.2
462.06985	4.5
477.05807	4.0
479.07751	30.1
480.07919	4.8
485.06140	1.9
505.05475	15.8
506.06302	4.2
517.08392	2.2
523.06708	52.7
524.07013	7.7
635.11890	4.0
653.13306	3.0
679.10962	38.2
680.11121	6.7
697.11896	100.0
698.12402	16.3
859.17267	4.9
859.34064	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	859.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02252	1.3
65.00187	2.8
71.01254	1.7
71.50720	1.0
83.01258	2.5
85.02801	1.4
93.03301	0.9
97.65217	0.6
103.00276	0.7
107.01255	6.3
109.02845	3.9
113.02312	1.5
121.02853	5.4
125.02315	1.3
151.00276	26.5
152.00697	0.8
159.04414	0.8
161.02307	0.8
163.00249	2.8
169.01332	1.7
172.60851	0.5
173.02336	0.9
174.03133	2.4
175.02388	0.8
178.99780	15.4
182.28212	0.6
187.03915	0.7
201.05518	1.3
211.03957	2.6
218.02115	4.6
227.03351	1.3
229.05055	2.4
245.04483	3.3
250.31721	0.6
255.02983	3.3
257.04474	0.8
273.04004	2.0
283.02560	1.9
301.03522	100.0
302.03870	9.2
317.20316	0.7
348.78128	0.6
380.99152	5.0
381.08154	1.6
477.06723	50.3
478.06964	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	859.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	3.1
65.59047	0.1
69.37881	0.9
69.38296	0.4
78.36645	0.1
86.44925	0.1
89.00207	0.7
91.01760	0.6
93.03318	1.4
97.02825	2.9
98.19748	0.3
107.01260	0.3
109.02840	1.6
121.02842	12.5
122.03158	0.4
124.01570	0.3
139.03889	0.5
149.02338	1.2
149.99458	1.2
151.00255	1.0
161.02290	0.4
163.00249	0.8
164.01015	0.2
165.01839	35.9
166.02171	1.6
173.41953	0.1
174.03081	0.2
175.41815	0.2
177.76666	0.2
183.02866	0.3
192.00543	0.3
193.01346	4.9
194.01772	0.2
200.04735	0.1
207.02884	0.6
216.04167	0.2
226.02637	0.5
227.03456	0.5
228.04193	0.7
231.35191	0.2
243.02989	1.3
243.06593	0.2
244.03671	0.5
254.02217	1.0
255.02917	1.3
256.03656	0.8
259.06036	0.8
269.04544	0.5
271.02441	5.1
272.03162	1.1
282.01074	0.2
285.04099	0.2
287.05624	1.8
288.05930	0.2
297.04037	0.2
300.02734	8.2
301.03149	0.7
313.03439	0.5
314.04169	0.2
315.05084	100.0
316.05420	8.5
395.00757	27.0
395.04636	0.6
396.01053	2.4
455.09894	0.2
645.25848	0.2
753.84662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	2.2
65.00185	4.3
83.01253	3.5
93.03310	1.0
95.01297	0.2
98.87456	0.2
98.95882	0.2
107.00536	0.5
107.01265	9.8
109.02843	2.0
121.02840	8.7
121.03528	0.2
122.03129	0.3
125.02324	0.5
135.00717	0.3
139.03893	0.6
147.04514	0.4
149.02373	1.1
151.00269	35.5
152.00685	0.7
159.04457	0.5
161.02390	0.5
163.00287	1.8
163.03931	0.5
164.01012	0.4
169.01338	1.2
171.04300	0.2
173.06024	0.2
174.03075	0.3
175.03928	0.6
178.99773	14.8
180.00145	0.6
183.04390	0.6
185.06033	0.3
187.03967	0.6
190.37021	0.2
190.38589	0.2
192.00650	0.2
193.01300	0.6
201.05522	0.8
202.02641	0.4
203.03430	0.3
205.05005	0.4
211.03995	1.3
215.03543	0.2
227.03419	0.9
229.04997	1.3
229.87785	0.3
230.02240	0.2
231.02831	0.2
239.03351	0.3
243.03018	0.4
245.04507	2.0
255.02969	1.6
256.03629	0.5
257.04507	0.5
271.02402	0.6
273.04028	2.2
283.02417	0.5
299.01941	0.5
299.99088	0.3
301.03503	100.0
302.03882	6.3
315.01382	0.6
365.08881	0.3
380.99185	31.3
381.99396	2.2
477.06412	1.1
729.26453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99168	0.4
61.95936	0.2
61.98703	1.2
69.46049	0.8
69.46480	0.6
71.01235	0.7
71.60200	0.2
73.02814	2.8
75.00739	0.5
78.95803	0.3
85.02828	0.3
87.00760	0.5
88.98682	2.6
89.02312	0.6
89.48516	0.2
96.95879	0.5
98.20583	0.4
99.00761	0.8
99.92453	9.6
100.92466	0.4
101.02339	0.4
113.02327	0.2
114.93293	0.3
116.92739	100.0
116.97105	0.5
117.01824	4.5
117.92761	5.0
125.02389	0.2
171.10207	1.0
183.36150	0.2
196.05452	0.2
197.11945	0.4
209.11780	0.7
211.13358	1.0
229.14360	0.4
235.08284	0.3
253.09320	1.9
254.09634	0.2
291.24194	0.2
293.21274	0.5
295.22739	0.6
307.19144	0.2
308.19205	0.2
309.20502	0.5
311.22266	4.4
327.21725	2.3
328.21970	0.3
329.23029	0.4
343.21353	0.3
361.12802	0.2
379.74722	0.2
396.26648	0.2
426.15378	0.2
487.99316	0.2
547.30981	0.3
621.43610	0.3
629.49835	0.2
780.11249	0.3
784.22687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99168	0.4
61.95936	0.2
61.98703	1.2
69.46049	0.8
69.46480	0.6
71.01235	0.7
71.60200	0.2
73.02814	2.8
75.00739	0.5
78.95803	0.3
85.02828	0.3
87.00760	0.5
88.98682	2.6
89.02312	0.6
89.48516	0.2
96.95879	0.5
98.20583	0.4
99.00761	0.8
99.92453	9.6
100.92466	0.4
101.02339	0.4
113.02327	0.2
114.93293	0.3
116.92739	100.0
116.97105	0.5
117.01824	4.5
117.92761	5.0
125.02389	0.2
171.10207	1.0
183.36150	0.2
196.05452	0.2
197.11945	0.4
209.11780	0.7
211.13358	1.0
229.14360	0.4
235.08284	0.3
253.09320	1.9
254.09634	0.2
291.24194	0.2
293.21274	0.5
295.22739	0.6
307.19144	0.2
308.19205	0.2
309.20502	0.5
311.22266	4.4
327.21725	2.3
328.21970	0.3
329.23029	0.4
343.21353	0.3
361.12802	0.2
379.74722	0.2
396.26648	0.2
426.15378	0.2
487.99316	0.2
547.30981	0.3
621.43610	0.3
629.49835	0.2
780.11249	0.3
784.22687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	3.2
69.03319	2.2
71.01254	10.2
72.99176	1.0
73.02811	2.0
75.00753	1.8
75.07016	0.5
79.95621	0.6
80.02544	0.9
80.96358	0.8
81.03320	0.7
81.95193	0.5
83.01241	1.3
83.04887	3.7
84.02066	0.6
85.02818	8.7
87.00741	2.5
88.98669	0.8
89.02312	4.7
95.01266	1.0
95.04902	1.6
96.95882	0.9
97.02827	1.4
97.06484	1.7
98.19790	1.3
99.00761	0.8
101.02325	9.0
109.06469	1.4
111.00771	0.7
111.08033	10.3
113.02335	5.2
114.93249	0.6
116.92741	2.7
119.03391	1.4
119.08498	1.3
123.08041	0.7
125.09619	1.1
127.11201	1.4
133.04991	0.9
137.09593	2.8
143.03360	0.6
145.04933	1.9
153.09068	1.0
155.10675	1.0
161.04454	3.6
163.11165	1.9
165.12758	1.5
167.10652	2.7
171.10181	32.0
172.10500	1.8
177.12741	2.6
179.05521	0.8
179.10718	2.3
181.12213	0.9
183.13876	1.7
185.11777	1.0
191.10686	0.7
193.12228	0.6
195.13821	9.9
196.14127	0.8
197.11757	2.0
201.11336	0.8
209.11765	50.8
210.12112	3.0
211.13329	10.0
212.13652	0.8
221.11787	1.7
223.13322	2.3
227.12816	5.7
229.14415	6.4
235.08168	10.7
236.08519	0.7
239.12860	0.6
247.20589	2.7
253.09244	26.3
254.09578	1.5
256.13055	0.8
273.18622	2.2
275.20139	4.2
289.17950	0.6
290.93933	0.5
291.19650	100.0
292.19980	8.7
293.21204	30.6
294.21463	3.1
295.22849	0.8
300.99783	1.2
307.18985	2.7
309.20731	6.3
311.22183	1.6
325.20132	1.6
327.21744	74.5
328.22061	6.8
329.23318	1.5
527.28729	1.8
600.73682	0.5
767.35211	0.9
855.51434	8.6
856.51361	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	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35677	0.4
61.98703	8.5
63.99089	0.4
67.95230	0.4
69.03323	3.1
70.89774	1.2
71.01257	8.1
72.99140	0.5
73.02785	1.5
78.95766	0.9
81.03310	0.7
82.95258	0.7
83.01232	0.9
83.04852	1.8
85.02821	9.9
87.00700	1.6
88.98648	0.5
89.02312	4.8
91.03851	0.5
95.01214	0.4
95.04875	1.0
96.95890	12.6
96.96792	0.8
97.02831	4.2
97.06475	2.8
99.00707	0.9
99.04352	0.4
101.01711	0.5
101.02321	8.2
109.06439	0.7
111.00751	0.4
111.08044	8.3
113.02344	4.2
119.03325	1.5
119.08553	0.5
125.05901	0.6
125.09599	2.1
127.07497	0.8
127.11138	1.7
131.03336	0.5
132.89471	0.4
137.09589	3.6
143.03349	0.8
145.04956	1.4
151.11183	0.6
153.09111	0.4
153.12718	0.7
155.10645	1.4
157.84575	0.4
160.62901	0.5
161.04433	3.3
163.11156	1.3
165.09064	0.6
165.12755	2.7
167.14253	0.7
169.12285	3.3
171.10178	30.8
172.10454	1.3
175.11122	0.6
177.12691	1.2
179.05489	1.1
179.10590	0.5
179.14339	0.6
181.12183	1.3
183.13838	3.5
185.11723	0.9
193.12286	1.5
195.13789	0.5
197.11763	41.0
198.12160	2.0
199.13344	2.0
200.83167	0.4
201.11191	1.5
203.10706	0.7
209.11748	3.5
211.13333	20.0
212.13646	1.2
221.11801	2.5
223.13254	0.5
227.12868	2.6
229.14391	10.1
230.14566	0.5
235.05817	0.7
235.08189	12.0
239.12860	2.0
247.20688	2.2
253.09261	38.6
254.09576	1.5
263.20184	1.6
265.18039	1.1
273.18594	1.4
291.19669	28.2
292.20053	2.3
293.21130	1.9
309.20712	94.7
310.21017	7.9
322.18307	0.4
327.21762	100.0
328.22083	8.5
328.25586	0.7
343.21353	1.4
433.20856	0.7
545.29706	5.8
546.29987	0.9
563.30750	6.8
572.25787	0.5
590.56525	0.5
619.41980	5.4
620.42596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	2.0
69.22738	2.7
71.01247	6.1
73.02822	1.4
75.00764	0.4
76.58107	0.2
80.96390	0.3
81.03349	0.3
83.01278	0.7
85.02821	1.7
87.00766	0.7
89.02312	6.9
95.01255	0.4
96.95897	0.3
97.02855	0.7
98.20541	0.4
99.00729	0.4
101.02322	4.9
101.02928	0.4
113.02328	2.4
116.02522	0.3
119.03393	3.7
125.02335	3.9
131.03406	1.0
143.03413	1.2
144.77155	0.2
149.04489	0.3
149.83609	0.3
161.04486	1.5
165.01831	0.3
167.03435	0.4
175.03961	0.5
179.05536	3.6
209.11757	0.9
221.06636	2.5
253.09370	0.3
263.07770	1.0
275.02145	0.4
278.17584	0.3
300.99786	0.8
308.60666	0.3
323.09799	15.1
324.10196	0.7
327.21637	0.4
371.19971	0.3
471.34769	100.0
472.35135	14.3
491.04572	0.3
633.40070	42.6
634.40387	7.2
675.41339	0.5
795.45337	8.0
796.45587	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	855.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03470	23.3
61.98692	85.1
64.60050	28.0
71.05134	70.3
78.95763	27.1
80.96400	24.8
91.43669	23.1
96.95882	73.5
98.95454	32.7
115.92062	28.0
116.92742	48.5
143.10921	28.5
195.13795	29.3
216.63770	27.5
253.09229	44.6
277.21710	39.9
289.18057	47.0
293.21167	100.0
307.19299	34.1
309.20721	36.1
327.21088	29.0
331.89194	28.3
459.44656	30.1
761.64600	29.9
855.45697	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	3.4
64.38538	0.8
65.00182	4.1
83.01241	3.4
83.85950	0.6
93.03335	2.0
102.84859	0.7
104.95159	0.7
107.01259	8.1
109.02824	1.8
111.15985	0.7
121.02834	8.2
149.02367	1.3
151.00270	31.8
152.00627	0.8
155.30946	0.7
163.00246	1.9
164.01112	0.8
168.16049	0.7
169.01317	1.5
175.03937	0.9
175.51100	0.8
178.99782	13.0
180.00174	0.9
192.07816	0.7
211.03917	1.3
227.03500	1.1
229.05000	1.1
234.07016	0.8
245.04526	1.9
255.02936	0.8
273.04086	1.9
301.03516	100.0
302.03851	8.2
359.81531	0.7
380.99207	30.5
381.99481	2.6
514.01788	0.8
674.87457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96589	0.3
61.98679	1.2
69.03327	0.8
69.12921	0.3
70.80304	0.3
71.01246	5.9
73.02794	1.5
75.00724	0.4
75.48402	0.3
77.77209	0.3
83.01238	0.5
83.04887	0.7
84.02044	2.9
85.02818	1.8
87.00731	1.0
88.42601	0.3
89.02319	3.0
95.01263	0.5
95.04868	0.5
96.95858	0.9
97.02814	1.5
97.06473	5.5
98.20648	0.8
99.00729	0.7
99.04383	0.8
101.02313	5.7
101.02944	0.6
103.00252	0.4
104.59570	0.3
105.63106	0.3
109.06429	0.3
111.08064	1.6
113.02326	2.7
119.03343	0.7
119.08610	0.4
123.04395	0.4
125.09591	1.3
137.09572	1.1
143.03319	0.3
145.04965	0.4
149.13312	0.3
161.04453	2.2
163.11252	0.4
165.12755	0.8
167.10672	0.7
169.12245	0.4
171.08781	0.6
171.10185	10.9
175.11209	0.6
177.12694	0.4
179.05473	1.2
179.10579	0.4
179.14285	0.6
183.13718	0.3
185.11705	1.2
191.14297	0.6
192.06531	0.3
193.12279	7.1
195.13837	8.8
196.14388	0.8
197.11745	5.0
197.15334	0.4
205.12271	0.8
205.15944	0.5
207.10144	0.4
209.11803	1.7
211.13359	3.4
221.11743	0.6
223.13318	5.8
225.12796	0.6
225.14905	9.5
225.93047	0.4
226.15178	0.7
227.12860	0.4
228.13638	0.8
229.60301	0.4
231.21022	0.5
235.08194	3.6
243.15965	4.3
244.06273	0.4
245.19017	1.1
248.15752	0.3
249.22197	0.4
253.09251	28.9
254.09569	1.2
256.13171	1.1
263.20230	0.5
265.21667	0.6
275.20151	5.9
276.20474	0.7
289.18088	2.6
291.19681	3.9
292.20053	0.7
293.21201	100.0
294.21515	8.1
295.22675	0.4
305.17719	0.4
305.21085	0.6
307.19110	2.3
309.20706	4.4
311.22198	0.4
323.22348	0.8
325.20285	1.0
341.23294	69.0
342.23639	6.5
445.28854	0.4
491.93954	0.4
529.30450	1.6
577.32654	2.0
617.44299	6.2
618.44458	0.9
835.48413	0.4
853.49640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28545	1.0
61.98689	4.2
62.38414	0.9
63.09346	0.9
67.01759	1.0
69.03313	4.2
71.01250	18.2
72.99159	1.8
73.02807	3.6
78.95775	1.2
80.02544	1.0
80.96373	1.4
81.03320	3.4
83.01254	4.5
83.04881	2.4
84.02058	5.2
85.02809	6.3
85.03308	1.0
87.00749	3.8
89.02326	7.8
93.03307	1.7
95.01235	2.4
95.04868	2.3
96.95872	2.8
97.02814	4.8
97.06457	8.6
98.19852	3.2
99.00736	1.7
99.04384	1.8
101.02306	13.8
109.06490	2.4
111.00756	1.5
111.07304	1.3
111.08037	17.6
113.02322	9.6
116.92745	3.2
119.03374	3.4
119.08557	1.7
121.02845	1.0
121.06455	1.1
123.04398	4.4
123.08054	2.3
125.02332	1.3
125.05937	2.2
125.09605	10.9
127.07526	2.2
130.64998	1.0
131.30461	1.0
135.08035	2.2
137.05962	2.0
137.09579	3.9
143.03358	1.2
143.88986	1.1
145.04903	1.3
149.09573	1.6
151.11063	2.7
153.09140	1.3
153.12691	2.8
155.10547	1.4
161.04463	5.4
163.11221	7.7
165.12726	4.0
167.10635	3.2
169.12250	8.7
171.08778	2.3
171.10168	26.2
177.12762	1.6
179.05531	1.6
179.10568	1.9
181.12213	4.5
183.13805	1.8
185.11722	9.7
191.14325	6.9
193.12247	2.1
195.13792	6.7
197.11752	100.0
198.12119	4.2
199.13298	6.5
202.22714	1.0
207.10178	2.9
209.11749	24.2
210.12032	1.8
211.13336	17.0
217.15843	1.7
221.11595	1.9
223.13303	4.9
225.11307	2.9
226.11638	1.0
227.12817	11.7
235.08180	6.6
237.11232	3.7
245.19067	18.7
246.19380	1.3
247.20543	2.1
253.09241	47.6
254.09436	2.4
263.20132	11.1
265.18008	2.3
271.16962	2.5
273.18597	2.3
275.20062	4.5
289.18082	60.3
290.18329	4.8
291.19626	36.9
292.19955	4.8
293.21194	82.0
294.21558	6.2
296.71109	1.2
300.99512	1.4
307.19122	48.0
308.19424	4.6
309.20679	87.5
310.20953	6.6
323.22070	1.2
341.23270	49.6
341.27478	2.4
342.23590	4.7
445.20547	2.7
577.31616	1.2
617.43988	3.7
664.75922	1.4
844.74030	1.1
853.49652	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	853.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	68.4
63.99112	1.4
69.03313	1.5
71.01259	7.3
71.04887	2.0
71.50649	1.0
73.02808	1.6
74.03346	0.6
78.91753	0.9
78.95770	5.9
78.98504	0.9
79.95596	6.0
80.02521	0.8
80.96388	8.6
81.03331	1.5
82.95274	1.4
83.01264	0.8
83.02425	0.7
83.04909	2.1
85.02814	7.0
87.00750	1.6
89.02310	4.6
90.94078	0.7
94.97961	2.8
95.01254	0.8
95.04891	1.6
96.95888	93.0
96.96797	9.0
97.02824	1.7
97.06462	3.0
98.03608	1.1
99.00766	0.9
101.02333	5.0
109.06474	8.6
111.04399	2.5
111.08060	1.2
113.02325	3.4
119.03356	1.2
121.39043	0.7
122.97426	0.7
123.08032	1.1
125.02275	1.2
125.09586	1.1
127.07517	1.5
127.11162	1.5
137.09616	1.8
143.10721	1.0
145.06526	1.4
149.09628	1.3
155.10661	1.0
161.04445	2.7
163.11215	1.0
164.98538	1.7
165.12790	1.3
167.10675	1.8
169.01378	1.0
171.10179	16.3
177.12781	1.0
179.10739	1.6
181.12296	0.8
183.13844	1.9
193.12251	1.5
195.13847	2.3
196.75633	0.6
197.11794	1.2
201.11232	1.8
205.47800	0.8
209.11778	5.5
210.12013	0.7
211.13354	12.4
212.13612	0.9
221.11751	2.8
223.99687	0.8
225.00668	2.0
229.14374	9.8
235.08188	7.2
237.74681	0.7
239.13019	0.9
241.01088	1.1
245.19005	3.9
253.09242	22.0
254.09564	0.8
268.69019	0.6
275.01889	1.3
275.20325	0.6
287.16595	1.1
289.18094	100.0
290.18369	9.1
291.19638	5.2
300.99802	1.6
307.19141	7.5
309.20728	9.1
311.22131	0.9
327.21762	85.4
328.22089	7.7
391.03439	0.9
399.08755	0.8
489.44769	0.7
525.27142	4.1
545.29822	1.1
563.30377	4.7
599.39355	1.6
617.40302	1.0
676.36121	1.2
853.42181	8.8
854.42621	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	853.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00359	0.4
61.98692	1.1
66.36631	0.4
67.01751	0.5
69.03319	2.4
71.01251	9.5
71.50458	0.4
72.99178	1.0
73.02811	1.9
78.95753	0.6
80.02579	0.7
81.03309	0.9
83.01218	2.4
83.04894	1.9
84.02034	3.9
84.69802	0.5
85.02820	2.8
87.00723	2.1
89.02299	5.7
93.03340	0.8
95.01250	1.3
95.04891	1.1
96.95905	3.3
97.02831	4.0
97.06462	6.1
99.00743	0.6
99.04379	1.3
99.93451	0.5
101.02316	8.2
109.06480	1.2
111.00742	0.6
111.08041	5.5
113.02341	4.4
113.09591	0.6
119.03368	1.4
119.08554	1.0
122.72898	0.5
123.04412	1.4
123.08036	1.0
125.09606	5.6
127.07470	0.6
127.11131	0.8
135.07980	0.7
137.09631	2.4
143.03432	0.7
145.05005	0.7
151.11183	1.2
153.12772	0.7
161.04419	3.4
161.09628	0.6
162.10419	0.5
163.11208	3.8
165.12700	2.4
167.10703	1.3
169.12265	2.2
171.10167	16.9
177.12744	0.8
179.05556	1.0
179.10674	1.2
179.14310	0.8
181.12225	1.6
183.13838	1.1
185.11739	5.1
191.10735	0.6
191.14319	3.6
193.12244	5.6
193.22668	0.4
195.13831	9.8
196.14494	1.0
197.11755	27.1
198.12129	1.4
199.13307	1.5
205.12317	0.9
205.15898	0.5
207.10173	1.9
207.24258	0.5
209.11749	9.8
211.13322	6.2
217.15924	0.7
221.11827	1.0
223.13345	5.6
225.11247	1.6
225.14885	8.8
226.15244	0.6
227.12874	3.7
228.13690	0.9
235.08174	4.2
237.11263	1.4
243.15918	4.6
245.19023	6.1
246.19519	0.6
247.20544	1.6
253.09244	33.8
254.09483	1.4
256.13193	1.2
263.20102	2.8
265.18173	1.1
265.21570	0.6
270.67923	0.5
271.17120	0.6
273.18549	1.9
275.20126	5.7
289.18094	21.6
290.18362	1.5
291.19641	16.7
292.19977	1.8
293.21213	100.0
294.21558	7.4
307.19144	16.2
308.19489	1.4
309.20691	23.2
310.21024	2.0
323.22217	1.0
341.23294	72.2
342.23648	6.5
349.70505	0.5
445.20929	0.8
524.65656	0.6
529.30029	1.9
577.32367	2.4
617.44012	5.9
618.44281	1.0
853.50037	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	853.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	33.1
63.99141	1.5
67.01740	0.9
68.99428	1.3
69.03319	4.5
70.25037	1.5
70.25417	1.7
71.01255	13.1
71.04894	1.4
72.99180	1.7
73.02826	2.6
78.95777	2.7
80.02566	0.8
80.96393	3.1
81.03326	2.7
83.01260	3.2
83.04891	3.5
84.02030	1.0
85.02820	12.2
87.00768	2.3
89.02315	8.8
93.03334	0.8
95.01276	1.8
95.04896	2.9
96.95885	7.4
97.02817	4.7
97.06472	6.8
99.04378	1.4
101.02317	11.4
109.02880	1.0
109.06477	3.0
111.00786	1.0
111.08014	6.1
112.98450	0.8
113.02330	9.1
115.03814	0.7
115.07581	0.8
115.68999	0.7
116.92748	1.1
119.03399	3.1
119.08587	0.9
121.06477	1.2
123.04386	3.5
123.08062	2.4
125.02312	0.9
125.06073	0.9
125.09615	7.9
127.07551	2.1
127.11172	2.2
135.07997	1.9
137.09596	6.5
139.00279	1.4
141.12750	0.9
143.03371	1.7
145.04938	1.0
149.05977	1.0
151.11261	1.0
153.09129	7.3
153.12730	1.5
155.10693	1.4
161.04437	5.2
161.09615	1.2
163.11188	8.2
164.63567	0.7
165.09068	0.9
165.11563	0.8
165.12753	4.5
167.10689	1.4
169.12192	3.6
171.10168	45.4
171.26501	0.8
172.10555	1.5
177.12770	1.4
178.09862	1.1
179.05490	1.0
179.10701	1.0
181.12225	2.4
183.13799	4.2
185.11702	8.0
191.10771	1.7
191.14323	6.6
193.12263	1.9
195.13870	1.3
197.11755	30.8
198.12148	2.4
199.13248	1.8
201.11212	2.3
207.10191	3.0
209.11761	42.9
210.12070	1.7
211.13329	21.7
212.13593	1.6
217.15884	1.1
221.11749	2.1
223.13283	1.0
225.11287	3.6
227.12827	3.2
229.14368	10.3
235.08177	9.4
237.11209	2.7
237.14928	1.8
239.12894	2.1
245.19075	10.8
246.19649	0.9
247.20624	2.3
253.09259	42.3
254.09525	1.6
263.20172	5.8
265.18063	1.3
271.17017	2.3
273.18649	1.8
275.01822	0.9
281.21094	1.0
289.18088	59.6
290.18408	4.2
291.19644	23.0
291.22705	1.5
292.19968	1.5
293.21228	3.6
300.99863	1.0
307.19128	82.8
308.19464	6.3
309.20688	56.0
310.20987	3.7
325.20181	20.1
326.20447	2.8
327.21741	100.0
328.22055	5.0
394.35590	1.0
445.20566	1.4
451.02356	1.5
525.27020	2.7
527.29254	0.9
543.28119	7.9
545.29535	2.2
561.29071	1.8
563.30804	3.4
565.30035	1.0
617.40094	1.7
766.41327	1.4
835.48700	8.5
836.49133	2.9
853.51123	5.2
854.51221	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	853.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46849	0.7
71.01250	4.9
73.02817	1.4
78.95793	0.7
83.01263	1.5
85.02812	2.6
89.02325	1.2
93.03317	7.5
95.04935	0.9
96.95908	1.0
99.00751	1.4
101.02322	2.4
109.02835	12.0
109.47716	0.6
113.02286	1.7
117.03334	2.0
119.04913	1.3
121.02804	1.1
123.04395	9.0
124.04665	1.0
125.02312	3.9
133.02870	2.0
135.02866	1.7
135.04408	1.7
137.02330	1.3
145.02859	6.0
147.04390	2.6
149.02364	1.1
150.03108	1.0
151.03893	6.3
153.01924	0.7
159.48094	0.7
161.02332	3.4
161.04463	1.2
161.05907	1.3
163.03822	1.1
169.01300	1.3
175.03937	2.0
176.01082	0.7
177.01836	17.5
180.26216	0.8
187.03909	2.1
189.01851	32.6
190.02576	7.9
191.03427	8.5
191.05281	1.5
201.01801	0.8
203.03487	4.8
205.04984	1.4
209.06171	0.7
209.11893	0.8
216.00610	6.8
217.01370	26.6
218.01865	2.7
219.02914	10.2
227.06984	1.0
228.91119	0.8
229.05054	1.7
231.02991	10.8
232.03494	0.9
233.04602	1.2
241.05032	1.3
271.06180	2.3
275.01965	1.1
277.04855	1.4
281.04419	1.1
283.06061	1.2
289.07153	2.9
293.04684	1.3
297.07693	1.2
300.99832	2.1
311.05588	4.6
323.05618	2.7
325.07410	1.0
331.17551	3.2
341.06625	66.8
342.07019	6.2
373.18808	1.4
379.08054	1.1
435.10803	100.0
436.11047	11.5
461.09656	0.8
731.19653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	21.5
61.98703	12.1
69.03320	5.6
71.01252	25.7
72.99179	6.0
73.02824	5.3
75.00751	6.0
78.95766	5.4
81.03342	4.0
83.01266	3.2
83.04905	4.3
85.02838	8.1
87.00763	6.5
87.04385	2.6
89.02320	11.2
95.04894	4.3
97.02835	16.1
97.06482	8.1
99.00771	4.8
99.04391	11.2
101.02320	18.2
109.06512	6.2
111.08025	6.0
113.02351	14.2
119.03438	4.0
121.06509	2.8
123.00802	2.9
123.04387	5.2
123.08072	6.0
125.02328	7.3
125.05997	3.3
125.09613	20.8
132.36598	2.7
135.08070	8.5
137.09622	6.5
139.07491	5.9
139.11212	3.0
151.11197	4.3
153.09058	12.2
155.10693	23.5
161.04433	4.5
163.11205	10.8
165.09116	7.3
165.12827	12.3
167.10760	3.2
171.10219	17.3
172.43401	2.6
177.12781	5.4
179.14304	3.1
181.12268	3.0
183.10239	15.4
185.11780	10.6
187.09665	3.2
189.12746	3.7
191.14320	4.2
195.13751	11.7
197.11790	10.2
199.09645	12.7
201.11192	7.8
205.12186	2.6
207.10217	6.7
209.11827	15.5
211.13333	7.8
213.11246	31.0
214.11453	3.3
221.11743	4.7
223.13298	7.3
225.11316	4.7
227.12891	9.6
235.08180	6.1
235.13367	5.3
245.18947	3.9
247.20682	6.7
251.12856	3.5
253.09247	35.8
263.12918	6.3
273.18655	4.8
275.19919	3.4
277.18085	4.1
279.19678	6.1
287.16583	18.5
289.18137	19.9
290.18433	3.4
291.19678	91.1
292.20050	6.1
293.21210	36.7
300.99829	3.1
303.16058	5.1
305.17609	32.2
307.19086	10.4
309.20721	100.0
310.20990	10.3
323.18680	39.9
324.22858	3.0
419.19293	10.9
541.26581	4.3
553.15942	2.6
559.27246	3.1
793.54755	2.6
833.46313	7.8
846.60779	2.6
851.48779	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	851.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.9
61.98700	100.0
68.99691	0.6
69.03332	2.8
71.01250	8.8
71.04894	1.5
72.99184	1.1
73.02829	1.8
74.76857	0.6
75.00749	1.1
75.21772	0.6
78.91734	0.9
78.95793	1.3
80.02541	0.9
80.96401	1.1
81.03330	1.7
82.03269	0.6
83.01294	1.1
83.04897	1.7
85.02824	5.5
87.00742	1.9
89.02319	3.1
95.01289	1.4
95.04906	3.0
96.95885	13.4
96.96828	1.0
97.02833	4.4
97.06477	1.8
98.19849	1.8
98.95461	1.0
99.00803	1.5
101.02311	4.8
106.04114	1.6
107.04929	1.7
109.06477	4.0
111.04453	1.0
111.08060	2.2
113.02357	3.9
121.06367	0.7
123.04462	0.9
123.08069	0.6
125.02275	0.7
125.09634	2.2
135.08072	2.1
135.11765	0.7
137.09605	1.6
151.11215	0.8
155.71352	0.8
161.04524	2.1
163.11220	2.1
165.09140	1.2
165.12755	4.1
165.35718	0.7
171.08861	1.0
171.10168	4.5
177.12741	3.2
179.05528	0.9
179.14343	1.3
181.12289	1.6
183.13872	0.9
185.11833	0.8
185.99141	0.7
188.61363	0.7
189.12837	0.7
191.14362	2.7
193.12331	1.5
195.13803	9.8
197.11789	8.6
203.10728	2.1
203.14400	2.5
207.13834	1.3
209.11842	2.9
209.15355	1.5
211.13344	2.3
217.12315	0.8
221.11868	3.0
221.15421	2.0
223.13426	2.0
227.12904	2.7
229.12387	2.7
229.62773	0.8
235.08205	3.3
235.13367	6.9
236.09027	0.7
237.14917	4.5
239.12836	0.9
243.17555	1.5
245.19070	0.8
247.13383	15.5
247.20715	2.8
253.09282	12.4
254.09561	0.7
261.18594	5.9
265.14447	8.3
273.18701	1.7
279.19534	1.2
287.16547	4.9
289.18094	4.0
291.19653	29.2
292.20145	2.5
293.21304	1.6
305.17590	24.5
306.18021	2.6
307.19324	2.3
309.20682	46.4
310.21115	3.8
323.18732	1.7
325.20319	2.1
327.21521	1.0
341.23544	1.1
457.20578	1.0
471.22421	2.2
483.22635	1.5
501.23688	2.2
507.34982	0.7
541.26984	2.3
749.41516	0.7
755.91107	0.8
763.42987	1.4
793.43903	6.0
794.44513	1.8
833.46930	3.5
851.47607	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	850.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
61.98701	100.0
69.15789	0.6
69.16214	0.6
71.01271	0.4
72.29366	0.1
75.00735	0.2
78.95772	0.8
79.95618	0.3
80.96383	1.1
83.04876	0.1
85.02815	0.2
86.54596	0.1
89.02303	0.1
92.14295	0.1
94.98003	0.3
96.95908	0.6
96.96846	0.2
113.02342	0.1
116.29053	0.1
121.02853	0.1
123.04445	0.1
125.02344	0.5
128.84512	0.1
151.03854	0.1
152.99489	0.1
163.03961	0.1
164.98611	0.2
169.01355	0.2
171.10172	0.3
175.03973	0.2
177.01758	0.1
197.11829	0.2
201.11154	0.2
202.71422	0.1
209.11777	0.9
211.13358	0.2
225.00742	0.2
225.11253	0.2
225.15009	0.2
243.15903	0.1
275.01682	0.2
291.19550	0.1
299.99255	0.1
300.99915	0.3
309.20862	0.1
329.23376	0.2
341.23264	0.1
343.24954	0.2
531.97430	0.1
732.01465	0.2
755.32526	0.1
850.38019	0.4
850.52393	0.6
851.40063	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	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.1
61.98702	100.0
62.98404	0.2
63.86170	0.1
71.01272	0.2
73.02824	0.1
78.95782	0.2
79.95606	0.1
80.96375	0.5
80.96769	0.1
82.42289	0.1
87.00762	0.1
89.02335	0.1
94.97963	0.1
96.95855	0.1
99.92456	0.1
101.02354	0.1
101.86263	0.1
101.95359	0.1
125.02364	0.1
137.02385	0.1
148.99084	0.1
165.01852	0.1
171.10187	0.1
175.03943	0.2
179.60335	0.1
201.11378	0.1
209.11833	0.3
211.13416	0.1
225.00735	0.1
225.11240	0.1
279.48416	0.1
295.22104	0.1
301.00006	0.2
321.36859	0.1
722.66302	0.1
850.38818	0.3
851.40485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
61.98703	100.0
62.98394	0.2
71.01263	0.1
71.36037	0.1
78.95769	0.2
79.95604	0.1
80.96383	0.2
96.95887	0.2
96.96877	0.1
98.19823	0.3
125.02316	0.2
132.60625	0.1
152.99481	0.1
171.10204	0.1
186.25595	0.1
207.10283	0.1
209.11850	0.3
219.46292	0.1
225.11359	0.1
253.09177	0.1
289.18192	0.2
291.19720	0.1
299.99231	0.1
301.00220	0.1
305.17908	0.1
309.20639	0.1
717.54749	0.1
851.42896	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	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.2
61.98700	100.0
62.98421	0.2
67.15884	0.1
67.91737	0.1
70.42310	0.1
70.42702	0.1
71.01253	1.0
73.02817	0.1
78.95786	0.2
79.95597	0.2
80.96392	0.3
83.54616	0.1
85.02852	0.1
87.00771	0.1
89.02333	0.2
94.06568	0.1
94.97990	0.2
96.95881	0.5
98.19807	0.1
101.02341	0.2
112.49055	0.1
113.02320	0.1
125.02341	0.2
125.09605	0.1
163.11229	0.2
171.10191	0.4
201.11299	0.3
207.10286	0.2
209.11772	1.5
225.00850	0.1
225.11282	0.4
227.12827	0.2
253.09393	0.1
285.56183	0.1
301.00015	0.1
305.17737	0.1
326.53784	0.1
327.21829	0.1
384.01343	0.1
397.13440	0.3
415.14594	0.1
507.05585	0.1
623.25812	0.1
651.11670	0.1
851.39868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
71.01255	0.4
71.50790	0.2
75.07960	0.1
78.95787	0.5
79.95625	0.4
80.96394	0.8
86.31383	0.1
88.98657	0.2
89.02344	0.2
96.95898	0.3
101.02352	0.1
109.06560	0.1
163.11060	0.2
164.22784	0.1
171.10153	0.3
209.11913	0.3
225.00729	0.3
253.09244	0.3
291.19650	0.2
293.21335	0.2
301.00006	0.2
309.20911	0.2
765.34460	0.3
851.42090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00967	0.6
59.01249	11.5
61.98692	0.8
66.27728	0.6
69.03319	0.7
69.79424	2.0
69.79858	2.3
71.01252	12.4
72.99159	1.1
73.02794	2.1
76.78217	0.5
78.95751	0.8
78.98780	0.6
83.01247	0.9
83.04854	1.0
85.02823	3.1
87.00766	1.7
89.02321	7.6
95.01247	0.8
95.04897	0.9
97.02818	2.8
97.06445	3.4
101.02318	8.7
111.00769	0.7
111.04416	0.7
113.02328	2.5
119.03361	1.9
125.02308	1.8
151.11183	9.1
152.11494	0.6
152.46507	0.7
161.04530	0.9
162.18532	0.6
169.12248	36.3
170.12602	1.8
178.41806	0.7
195.10257	0.7
213.11218	4.2
221.06670	0.9
235.08223	1.4
255.23271	39.2
256.23547	2.8
276.95618	0.8
323.36041	0.7
397.13535	2.4
593.24146	1.4
614.34314	0.9
730.91089	0.7
765.41022	0.8
849.48474	100.0
850.48779	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	849.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.3
69.03323	4.2
71.01248	15.1
71.04881	1.3
71.51033	1.5
72.99182	1.7
73.02818	2.4
75.78883	0.7
78.95789	2.2
80.02535	1.2
81.03323	1.8
81.57264	0.9
83.01247	2.1
83.04889	4.6
84.02021	0.9
85.02808	3.3
87.00745	2.2
89.02319	9.4
95.01260	1.4
95.04912	1.1
97.02819	1.6
99.00746	1.6
101.02318	8.8
109.02840	1.1
111.04393	0.8
113.02341	4.5
119.03375	2.0
123.04420	0.9
123.08011	1.6
125.02321	3.2
125.09612	2.1
133.06007	0.7
135.08008	0.8
135.83614	0.9
151.11180	2.6
152.99536	1.0
153.12735	1.6
161.02364	0.9
161.04529	1.5
161.09593	2.6
163.11177	3.5
165.12750	1.8
167.29190	0.8
175.02457	0.9
175.03894	1.7
179.10738	5.6
186.89334	0.7
191.10652	0.8
197.11757	50.5
198.12088	2.1
209.11765	49.3
210.12100	3.4
221.06558	1.7
223.09760	1.0
227.12820	2.3
235.08214	0.8
241.01054	1.3
241.10754	3.7
255.23254	2.1
260.15942	0.7
295.22928	0.9
300.02463	0.8
300.99875	1.0
397.13379	3.0
415.14407	1.2
461.10941	1.6
605.72321	0.9
831.37299	1.0
849.37598	100.0
850.37878	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	848.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
61.98700	100.0
62.98396	0.2
71.01258	0.2
71.51543	0.2
72.99171	0.3
75.00718	0.2
78.95787	0.6
79.95621	0.3
80.96391	0.3
85.02828	0.2
88.98678	0.7
96.95891	0.5
96.96851	0.2
101.02316	0.3
111.87111	0.1
116.92736	0.2
125.02350	0.3
129.01984	0.1
142.09639	0.1
161.02423	0.1
175.03954	0.2
192.95926	0.2
209.11798	0.4
244.47676	0.1
255.23265	0.3
275.02185	0.2
298.12939	0.1
299.99240	0.1
300.99847	0.5
397.13464	0.2
465.06427	0.1
515.17706	0.1
847.20874	0.2
848.50836	0.3
849.39331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.2
61.98700	100.0
63.99119	0.3
66.24126	0.1
71.01257	0.5
71.50938	0.2
72.99194	0.2
73.60773	0.1
73.97806	0.1
76.42863	0.1
78.95769	0.3
80.41257	0.1
80.96394	0.5
88.98685	0.4
89.02325	0.1
93.03360	0.2
96.95885	0.2
99.85897	0.1
101.02360	0.2
111.04448	0.1
111.32555	0.1
125.02304	0.1
152.99684	0.1
171.10193	0.3
173.04504	0.3
187.56049	0.1
209.11754	0.5
210.78947	0.1
256.23734	0.1
293.21500	0.1
300.99930	0.4
323.82870	0.1
397.13574	0.1
508.93326	0.1
848.50446	0.2
849.40765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
61.98700	0.5
62.96287	0.4
63.96104	0.6
69.03339	0.4
71.01254	3.0
71.49598	0.2
71.49957	0.2
73.02840	0.8
78.95776	55.3
78.98460	1.7
79.43555	0.1
79.95122	0.2
79.95605	5.1
80.96390	24.3
82.95974	0.3
83.01273	0.2
85.02827	0.9
87.00745	1.1
89.02290	0.2
94.97964	5.5
95.01258	0.2
96.57529	0.2
96.95867	0.4
96.96842	12.8
97.02813	0.6
97.06477	0.2
99.00742	0.3
101.02332	1.2
106.97968	1.0
108.49541	0.2
111.08062	0.3
113.02323	0.3
113.09613	1.0
122.97498	1.5
125.02311	1.0
127.03904	0.3
127.79414	0.2
134.97469	1.5
134.98433	0.8
136.99030	0.6
136.99945	0.2
143.03389	0.2
148.99033	1.8
150.97910	0.2
152.98514	1.3
152.99516	12.3
155.10770	0.2
164.98549	4.0
167.10670	0.3
171.00581	0.3
171.10159	0.4
171.46175	0.2
177.12854	0.3
179.10704	0.3
179.14331	0.6
191.05412	0.2
195.13843	5.1
196.14333	0.4
197.11769	0.3
205.12318	0.5
206.99670	0.8
211.13333	0.5
223.00075	4.9
223.13351	3.5
224.13696	0.4
225.00696	6.6
226.01086	0.4
228.13716	0.4
235.16960	0.3
241.01149	25.8
242.01454	1.1
255.23267	37.8
256.13132	0.4
256.23615	3.4
259.02237	2.0
265.21896	0.2
269.24774	0.2
275.20148	2.5
276.20389	0.3
277.21768	0.3
279.23312	0.3
283.04938	0.3
291.19556	0.4
292.19983	0.3
293.21213	16.1
294.21588	1.5
297.03793	1.7
299.05017	0.3
300.99789	0.3
315.04858	0.9
391.22537	3.3
392.23041	0.3
401.47626	0.2
409.23325	0.4
429.20544	1.4
482.26538	0.2
537.27356	0.2
553.27802	2.9
554.28314	0.2
571.28857	0.7
591.25098	1.4
691.88385	0.2
749.41205	0.2
761.41895	0.7
765.41315	0.6
766.41449	0.2
778.43573	0.2
833.57666	0.2
847.49500	100.0
848.49799	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	847.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.6
63.96098	0.9
70.10452	0.3
71.01250	4.1
73.02815	1.5
73.50707	0.4
78.98456	2.7
79.95603	8.2
80.96388	46.1
81.03349	0.5
82.95973	0.8
85.02814	1.4
87.00750	1.2
87.90417	0.3
92.00982	0.4
94.48760	0.3
94.97957	9.9
96.95898	0.9
97.02822	1.1
101.02314	0.8
106.97935	1.8
122.97475	2.3
125.02338	1.9
127.03922	0.8
127.05225	0.4
134.97501	2.6
136.99052	0.7
143.35966	0.3
147.86937	0.4
148.75426	0.4
148.99060	4.1
152.98558	3.6
164.98544	6.5
182.99728	0.4
206.71324	0.3
206.99641	1.4
225.00700	10.7
229.40144	0.4
255.23195	0.7
351.64691	0.4
414.07480	0.5
419.78500	0.4
537.27295	0.6
557.18884	0.4
591.24756	1.3
761.41388	3.9
762.41742	1.0
829.47754	0.6
847.48712	100.0
848.49054	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	847.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.9
61.17408	0.5
63.96100	1.7
69.03331	1.3
69.84997	2.8
71.01255	10.9
73.02816	2.6
78.98462	8.8
79.95118	0.6
79.95609	20.2
80.96389	100.0
81.03321	0.8
81.96354	0.6
82.95980	1.9
85.02823	3.3
87.00755	3.3
94.97962	22.7
95.01297	0.5
96.95882	1.8
97.02815	1.8
99.00747	0.8
101.02335	3.2
104.20951	0.5
106.97954	4.0
122.97467	3.7
125.02326	4.3
127.03927	0.8
133.14214	0.5
134.97475	6.5
136.99001	1.8
148.99049	8.2
152.98523	6.5
164.98544	12.9
206.99649	3.0
225.00697	20.7
226.01076	0.6
237.05510	0.5
255.23285	2.2
283.04953	0.5
525.52985	0.5
528.34961	0.5
537.27118	1.1
591.24756	1.8
649.04010	0.5
727.95807	0.5
734.72656	0.5
752.97711	0.5
834.95441	0.5
847.48700	74.5
848.49072	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	847.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
63.96112	1.3
69.03322	1.0
70.97266	0.6
71.01259	8.8
71.12316	1.5
73.02827	1.6
76.61549	0.7
78.98467	8.9
79.95605	19.2
80.96389	100.0
81.03335	1.0
82.95977	1.5
84.17188	0.6
85.02818	4.4
87.00764	3.4
94.97964	20.2
96.70359	0.7
96.95901	2.2
97.02828	2.5
99.00744	0.8
101.02310	3.2
106.97965	4.4
113.02312	0.6
122.97504	4.8
125.02311	3.5
127.03922	1.5
134.97459	7.5
136.99071	2.2
148.99077	8.1
152.98534	7.2
164.98540	13.0
206.99629	3.9
225.00687	24.5
255.23257	1.9
537.27606	1.6
549.00232	0.8
591.25012	1.4
847.48730	79.6
848.49237	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	847.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.5
59.01490	1.0
62.39675	0.9
69.55676	2.2
69.56083	4.6
71.01238	2.5
75.10537	1.0
83.01254	1.3
83.18174	0.9
85.02834	2.0
87.00726	2.4
93.64391	1.0
95.01234	0.9
96.95882	8.3
99.04379	1.2
101.02322	1.8
102.98460	1.7
109.02860	2.1
111.08002	1.7
113.02335	1.7
121.02915	1.2
123.04366	1.9
123.08032	1.1
125.02333	17.5
135.04375	1.9
137.02316	3.8
137.09631	1.4
145.02789	1.8
149.05943	2.4
150.06760	33.5
151.07201	1.2
151.63522	1.0
159.04321	1.9
161.02299	4.7
162.06731	4.2
163.03909	1.5
163.07527	13.4
163.11156	1.1
164.08302	8.5
164.12769	1.1
167.03389	1.3
169.01265	1.9
175.02452	1.3
175.03897	3.5
176.08392	2.1
177.01768	3.7
177.09143	1.7
178.02301	1.0
178.09874	1.9
179.10707	19.0
180.11160	1.1
185.05957	1.9
186.02899	1.0
187.03828	1.4
191.03596	1.1
191.05418	2.2
203.03409	1.5
243.02924	2.7
245.04431	2.8
245.08104	2.4
253.04890	1.6
255.02965	1.5
271.06076	2.8
289.07077	4.0
293.04550	1.3
299.99097	18.0
300.99692	3.6
306.18213	1.7
315.01425	18.6
316.01761	1.4
321.20508	1.4
324.02673	2.1
325.02969	1.5
341.22986	1.7
343.21164	5.6
352.50293	1.2
407.07715	5.9
433.09262	1.8
433.71887	1.3
439.10587	2.9
462.29785	1.9
464.85696	1.1
476.31296	5.9
477.32144	15.7
478.32263	2.4
487.08380	2.3
503.29755	1.5
504.30988	2.4
505.31619	2.5
519.33710	1.1
521.31207	1.7
522.31940	10.5
523.32709	26.2
524.33093	4.4
548.94562	1.3
559.12756	1.9
559.21484	3.0
639.37653	1.4
677.22888	1.8
685.38171	13.3
686.38800	2.0
847.43237	100.0
848.43573	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.209
Annotation	Sennoside C
Peak:m/z	Relative Intensity
59.01254	13.7
61.98702	25.1
67.01746	2.4
69.01904	2.0
69.03316	2.3
71.01246	14.6
72.99187	2.1
73.02813	3.9
78.95778	7.2
80.96397	2.6
81.03293	4.2
83.01248	3.7
83.04891	6.3
85.02832	16.0
87.00743	5.7
88.98667	3.7
89.02301	5.1
92.24787	2.1
93.03334	10.0
94.36664	2.2
96.95881	4.6
98.19866	6.7
99.00774	2.4
99.04424	2.5
101.00529	2.1
101.02328	9.0
102.08887	2.4
107.01276	2.2
108.61774	1.9
109.02843	5.2
111.04385	3.0
113.02312	4.6
116.92695	2.3
119.03381	2.4
119.04882	3.6
123.00787	2.1
123.04400	4.2
125.02345	8.8
127.03918	2.8
131.04982	2.2
135.02858	4.2
135.04416	3.3
136.82738	2.3
137.02350	3.2
151.88858	2.0
155.10739	2.5
161.02332	3.0
163.11163	4.3
169.01369	2.7
171.10213	4.1
173.04471	4.4
174.03142	5.8
175.03914	25.2
179.05507	2.6
191.05548	34.7
199.13121	2.9
207.10231	2.3
209.11781	34.7
221.11823	13.8
223.13332	4.5
224.13846	2.6
224.94208	2.7
225.11172	6.1
227.12796	6.3
235.08200	3.3
239.12794	11.5
255.23351	4.4
266.27475	2.0
275.01782	3.4
298.98352	4.5
299.99069	2.9
300.99802	7.4
313.05008	7.5
314.05896	16.8
315.06699	12.8
315.62430	2.5
327.06677	3.3
375.10184	5.0
391.09735	3.9
397.13394	9.7
419.09271	9.8
420.10172	4.6
422.07889	5.3
423.08591	4.6
430.08688	5.1
431.09149	40.8
432.09470	10.5
433.07141	10.8
434.07718	3.7
436.09457	7.0
437.10416	15.1
446.07547	2.7
447.09052	12.3
448.09515	84.6
449.10226	100.0
450.07162	10.1
450.10962	7.8
451.08270	25.5
452.08447	2.9
457.07260	5.9
463.08063	4.8
466.10706	11.7
467.11115	11.4
474.07245	6.3
475.08304	30.0
476.08688	3.5
492.08463	10.2
493.09277	21.9
511.10330	15.9
594.24554	3.9
611.15533	37.0
612.15857	6.5
613.12897	5.3
629.16779	6.7
637.13464	23.2
638.13727	6.1
649.13177	2.6
655.14227	8.9
666.13232	5.4
667.14508	48.9
668.14661	8.3
673.15594	6.7
684.14923	3.5
685.15576	50.0
686.15778	8.1
817.19263	2.3
829.20135	46.8
829.36798	4.3
830.19421	9.8
847.20679	27.6
847.38324	7.7
847.50378	6.5
848.21027	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	845.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81812	0.2
59.01233	0.5
60.99176	17.9
61.98701	1.8
70.86857	0.5
71.01230	0.5
72.99178	0.3
75.00700	0.2
78.95776	0.4
81.14304	0.2
87.00748	1.4
88.00276	2.4
88.04066	0.2
88.98676	100.0
89.02312	8.4
89.99016	0.8
94.28753	0.2
101.02293	0.2
113.02321	0.3
125.02329	0.4
141.92995	0.2
149.76244	0.2
158.10478	0.2
158.53465	0.2
169.01332	0.3
170.36250	0.2
171.10191	0.8
197.11766	0.5
201.11407	0.2
205.69742	0.2
207.10118	0.2
209.11766	1.9
221.11395	0.2
224.04796	0.3
227.12852	0.3
238.32658	0.2
253.09401	0.5
275.02100	0.3
291.19781	0.6
293.21265	1.1
299.99133	0.3
300.99850	0.6
309.20844	0.5
397.13632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.3
59.35957	0.6
61.98699	3.5
63.59204	0.6
65.86025	0.6
71.01247	2.2
71.51051	1.0
72.99168	1.2
74.98959	0.7
75.00710	0.9
81.03375	0.8
83.01251	0.7
85.02802	2.0
88.83920	0.6
88.98689	0.8
93.03316	1.1
93.66727	0.6
96.95876	1.0
101.02300	1.2
109.02841	1.4
115.00271	0.9
117.03332	0.9
121.02798	1.0
123.04368	1.2
125.02366	3.8
127.00268	0.8
133.02837	0.6
135.02898	1.1
135.04375	1.8
137.02342	2.3
145.02837	0.7
149.02303	0.9
149.09613	2.8
150.03096	2.3
151.00305	0.7
151.03912	1.3
159.04414	0.8
161.02383	6.7
163.03815	0.7
165.05420	2.1
169.01315	1.3
173.04480	1.2
174.03040	0.7
175.02466	0.7
175.03859	3.1
177.01859	0.9
179.03462	0.7
187.03922	0.9
189.01836	1.4
191.03281	0.8
191.05513	1.9
195.06560	1.2
199.03847	1.2
201.05542	0.7
205.04974	1.3
208.00729	0.8
209.11760	1.1
263.03299	0.9
275.01920	0.8
289.07159	1.5
300.04211	2.5
300.99866	1.9
301.04742	1.0
302.00037	1.1
303.03000	2.2
325.03616	1.1
328.03632	1.0
329.04462	1.9
330.05496	1.1
331.05743	1.0
345.03934	0.9
353.04242	1.1
354.04401	0.7
400.07077	1.1
401.08026	1.2
417.07825	1.3
427.06317	1.3
428.06735	1.2
429.07352	3.1
430.08029	2.1
440.06628	2.2
441.07507	1.4
445.06989	3.5
447.08850	3.4
448.08948	0.9
456.06113	1.0
457.07220	3.0
458.07657	2.6
473.06625	21.8
474.06921	3.3
475.08228	1.2
483.05225	0.9
484.06067	2.2
485.06595	5.2
486.07318	1.3
487.08032	1.1
501.06097	21.9
502.06909	100.0
503.07419	25.7
504.08301	1.3
515.07672	2.4
516.08093	1.1
519.07178	6.5
520.07715	1.9
664.00812	1.1
664.12201	32.7
665.12927	83.3
666.13428	15.7
682.13196	11.7
683.13843	7.4
684.14557	1.2
707.14069	1.1
827.18036	1.5
845.17944	0.9
845.34564	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	843.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74783	0.2
63.67050	0.3
65.00184	2.8
65.06960	0.2
69.32131	2.6
69.32450	0.6
77.54532	0.3
83.18820	0.3
89.00191	0.5
91.01782	0.7
93.03331	1.2
97.02825	2.3
107.01283	0.5
109.02821	1.6
121.02839	12.2
122.03146	0.5
139.03905	0.6
148.01480	0.3
149.02354	1.0
149.99477	1.1
151.00237	0.8
163.00278	0.8
165.01834	32.7
166.02220	1.3
183.02859	0.3
193.01347	5.6
194.01761	0.3
200.04764	0.4
207.02924	0.5
226.02612	0.5
227.03516	0.4
228.04158	0.7
234.67493	0.3
243.02977	1.3
244.03757	0.6
254.02171	1.1
255.02986	0.9
256.03781	0.7
259.06140	0.3
269.04691	0.3
271.02454	4.6
272.03082	1.0
278.77472	0.3
287.05713	1.5
300.02704	7.1
301.03052	0.4
313.03546	0.8
315.05084	100.0
316.05411	7.8
395.00742	29.8
396.00995	2.4
428.59616	0.3
627.26123	0.3
632.14862	0.3
771.40192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.5
60.99160	4.8
61.97250	1.5
61.98703	10.6
71.01243	4.1
75.00745	2.5
78.95794	1.5
83.04877	4.1
85.02819	3.2
87.00741	4.8
88.00278	3.0
88.98674	30.6
89.02309	5.3
98.20576	3.9
101.02305	2.5
109.02830	2.7
113.02306	1.9
116.92691	1.4
121.02805	1.9
125.02344	2.5
132.92664	1.3
135.04372	1.8
137.02330	5.1
151.03896	4.1
163.03969	1.9
163.11160	2.7
165.12752	2.3
171.10211	1.9
193.91338	1.3
195.13799	4.7
197.11732	2.1
209.11771	68.6
210.12053	5.1
211.13351	2.6
223.13339	2.7
227.12828	9.5
253.09253	10.9
275.20065	3.4
283.09662	1.6
293.21231	39.7
294.21536	4.6
305.17432	2.5
309.11066	1.9
309.20755	1.5
322.33115	1.5
340.13107	43.1
341.13483	13.8
342.13751	4.8
355.15491	100.0
356.15820	35.5
357.16153	11.9
485.32800	10.3
486.32901	19.8
487.34149	80.7
488.34689	8.1
817.48401	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	841.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50928	0.6
61.98696	5.4
70.83999	1.8
71.01255	1.5
72.99162	1.0
73.92387	0.6
75.75935	0.8
80.96382	1.3
82.64681	0.7
82.95272	0.9
87.00749	2.7
88.98659	1.2
90.03134	0.8
90.03797	0.8
96.95896	2.3
109.02850	1.5
119.04893	1.1
121.02818	1.5
123.04472	1.2
134.32535	0.7
135.04376	1.6
137.02322	5.6
138.03143	1.0
139.07275	0.8
151.03922	4.2
166.25844	0.7
171.10150	1.4
175.03966	0.7
178.64378	0.7
192.83401	0.8
197.11688	0.9
198.40448	0.8
207.10185	1.6
209.11778	5.4
225.11223	1.5
227.12863	1.1
239.07129	2.3
243.12523	0.9
246.66978	0.7
253.09210	1.4
254.48448	0.8
269.08160	0.9
271.09763	2.6
283.09723	1.6
300.99527	1.1
309.11215	1.1
309.20724	1.3
325.10690	1.4
327.49268	0.9
339.12271	0.9
340.13129	50.4
341.13535	5.4
355.15482	100.0
356.15833	10.2
391.29919	1.5
446.66983	0.9
449.71698	0.7
485.32703	76.3
486.33020	12.9
708.26971	0.8
841.41559	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	839.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	11.7
61.98677	2.6
69.03312	1.4
70.78015	2.6
71.01249	8.3
72.99187	1.0
73.02818	1.5
75.55106	0.8
78.24024	0.9
78.95759	3.0
79.39604	0.7
80.96378	1.3
83.01259	3.9
83.04887	1.7
85.02819	2.1
87.00761	1.6
88.03382	1.0
89.02319	5.2
95.01248	1.4
95.04893	1.6
95.71017	0.9
97.06451	3.4
99.08064	1.4
101.02312	7.2
105.00529	0.9
110.96746	0.8
111.08057	6.5
113.02311	3.3
113.09608	10.4
114.09937	0.9
119.03363	1.7
121.06440	1.0
123.04407	1.0
124.25591	1.0
125.09601	5.1
137.05751	0.9
139.11201	1.3
151.11115	0.9
161.04448	4.7
163.11203	1.6
165.12767	3.0
167.10674	3.3
169.12244	2.3
171.10162	2.7
174.49699	1.0
177.12781	1.6
179.05373	1.1
179.10655	2.9
179.14339	1.2
181.12239	2.5
185.11719	3.5
188.97014	0.9
191.10780	1.3
191.14325	1.9
193.12204	1.1
193.15851	1.1
195.13805	13.2
196.14125	1.4
197.11749	25.9
199.13246	1.9
207.10229	1.4
209.11755	21.1
210.12177	1.4
211.13391	5.5
223.13301	4.9
225.11166	1.3
227.12802	3.0
235.08215	3.4
245.19066	3.6
247.20651	1.8
253.06740	1.5
253.09254	27.6
253.11899	1.4
254.09419	1.3
263.20016	2.0
265.17926	1.1
265.21722	1.2
274.46185	1.0
275.20197	4.6
277.21738	12.1
289.18051	14.8
291.19647	31.7
292.19769	1.8
293.21198	100.0
294.21497	9.5
295.22757	68.2
296.23215	5.5
307.19119	12.9
308.19534	1.0
309.20685	31.5
310.21063	2.2
311.22260	15.9
312.22473	1.3
327.21915	1.1
401.96771	0.9
623.07703	1.0
839.50714	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	839.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.7
61.98683	0.9
69.03302	0.8
71.01250	5.1
71.27834	0.6
72.99168	0.4
73.02807	1.6
81.03334	0.4
83.01255	0.8
83.04879	0.6
84.02037	0.5
85.02354	0.5
85.02822	5.2
85.66994	0.4
87.00764	1.5
89.02313	3.8
91.03889	0.4
91.92220	0.3
95.01257	0.4
95.04849	0.8
96.18501	0.3
97.02820	1.3
97.06464	2.9
101.02321	5.9
102.31948	0.4
111.08020	0.7
113.02335	3.7
119.03387	1.2
125.09613	1.0
127.11149	1.4
137.09590	1.4
143.03328	0.6
145.04924	0.6
154.57474	0.3
155.10667	0.9
155.14331	0.5
161.04489	3.1
163.11026	0.4
165.12709	0.5
167.10728	0.4
167.14281	0.6
171.10176	15.3
171.11647	0.8
172.10445	0.8
175.11253	0.3
177.12743	0.8
179.05475	1.1
179.14372	0.8
181.12241	0.6
183.13820	2.4
185.11731	0.6
193.12221	1.0
193.28885	0.4
195.13834	8.6
196.14478	0.9
197.11761	0.9
199.13274	0.4
201.11290	0.7
203.10739	0.4
205.12158	0.4
205.15756	0.6
209.11740	1.9
211.13326	16.6
212.13634	1.0
221.11783	2.5
223.13327	5.2
224.13644	0.4
227.77716	0.3
228.13570	0.6
229.14403	11.8
230.14751	0.9
235.08191	6.3
236.08562	0.5
238.20847	0.4
239.12949	2.0
247.20584	0.6
253.09267	33.2
254.09557	1.5
256.13159	1.4
265.21802	0.4
275.20148	5.0
276.20676	0.6
291.19669	4.5
293.21216	100.0
294.21533	8.5
309.20697	6.3
310.21027	0.7
327.21750	74.5
328.22043	6.3
435.32568	0.4
529.29913	1.6
545.29803	1.8
563.30695	5.3
564.30969	1.0
603.42731	4.4
604.43024	0.8
631.22131	0.4
744.71393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	28.8
67.78813	0.9
69.91348	3.6
71.01254	19.4
72.99165	2.4
73.02792	1.2
76.53878	0.8
80.04922	0.8
82.02849	1.9
85.02826	5.8
87.00726	1.0
89.02313	15.2
94.02265	1.3
94.02859	22.4
95.01237	1.9
96.04438	1.8
99.00742	1.0
101.02316	12.0
105.05733	1.2
106.06527	6.2
107.04921	0.7
108.04451	1.6
110.05919	1.0
113.01574	1.2
113.02315	7.4
119.03404	4.1
120.08083	17.4
122.05997	4.8
124.97974	0.8
125.02333	1.0
132.04433	2.0
134.06015	31.2
135.06290	1.4
136.03943	1.7
136.07574	1.9
137.04762	1.3
138.05516	7.4
144.63211	0.9
150.05484	1.5
152.07080	7.3
158.02357	1.5
158.06087	0.9
159.02942	1.0
160.03975	1.6
161.04561	0.8
164.06992	1.2
165.08467	0.8
190.04991	5.2
191.05496	1.2
215.11829	1.2
221.10675	1.6
223.08748	4.2
224.09477	1.6
236.09474	1.2
237.06618	0.9
237.10399	5.5
238.11037	1.8
239.11859	6.9
249.06633	2.1
249.10217	2.1
250.07185	1.6
251.08235	3.7
251.11879	6.7
252.12386	1.0
253.13397	1.2
262.10513	0.8
263.08304	7.0
263.11755	2.8
264.09024	8.9
264.11816	1.1
265.09732	7.3
265.13223	1.5
276.09097	2.0
277.09787	6.5
278.10611	4.0
279.11374	22.7
280.12009	6.2
281.12939	4.1
285.03986	1.3
291.11356	7.9
292.12061	6.8
293.12863	2.4
294.13681	1.7
300.99918	2.6
305.09329	3.3
306.10028	1.2
307.10699	2.6
314.12460	2.6
323.10327	3.0
324.11230	4.4
325.11823	2.1
326.12756	1.5
337.11905	3.3
338.12622	1.8
364.99652	1.0
370.15750	1.9
371.16064	1.1
372.17148	1.6
376.16690	1.5
384.17154	2.8
386.18576	2.3
388.16827	1.3
401.20987	1.7
402.14462	0.9
412.16037	1.0
418.21732	0.9
426.18350	2.1
427.18890	1.1
430.17917	1.7
443.18048	1.3
444.19171	4.2
445.19962	2.0
446.19791	0.9
454.17291	1.2
459.17899	1.2
460.18857	1.6
461.19598	1.7
462.20306	3.0
471.17743	3.1
472.18811	5.3
473.19559	2.7
488.17926	1.4
489.18689	1.3
490.19830	8.5
491.20493	1.3
518.18951	1.2
532.20636	1.1
605.23755	2.1
606.24640	2.3
623.24780	1.8
633.22980	2.0
634.23523	1.2
650.23743	5.8
651.24255	7.4
652.24548	1.4
682.25806	7.7
683.26398	2.0
703.30554	1.1
747.28802	23.3
748.28906	5.3
779.31403	29.8
780.31726	8.3
789.29755	14.7
790.29980	3.4
807.30902	100.0
808.31207	20.2
821.32294	11.0
822.33142	2.6
839.33521	44.6
840.33777	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	839.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
61.98703	3.8
70.78608	0.7
71.01266	2.2
75.00734	0.8
83.44785	0.7
88.94747	0.7
96.95881	2.6
101.02309	1.3
109.02811	0.9
113.02336	0.9
116.92683	0.8
117.03301	1.1
119.04935	1.2
121.02820	0.7
123.04403	0.9
125.02310	2.4
133.02838	0.8
137.02357	1.3
145.02856	2.8
149.02310	1.4
150.03162	3.5
151.00211	1.2
151.03854	0.7
160.01506	0.9
161.02341	19.8
163.03896	4.1
165.01813	3.2
165.05457	3.3
166.02617	2.6
167.03413	0.8
169.01375	1.7
171.10172	1.0
172.73111	0.7
173.02383	4.9
174.03108	3.3
175.03918	4.4
176.04474	1.0
179.03470	0.9
180.04216	2.0
181.04982	1.9
183.03029	0.8
183.04370	3.7
185.02293	1.0
187.03938	2.3
189.01744	0.7
191.05504	0.8
195.06581	6.4
199.03972	0.9
209.11784	2.0
210.12105	1.2
211.04027	1.8
225.07610	2.9
227.03494	1.0
227.12756	0.9
228.42685	0.7
229.01396	0.8
255.02841	0.9
261.05853	0.7
263.58450	0.7
273.05585	0.9
274.06198	0.9
275.07086	2.7
277.05157	0.9
285.05508	4.3
286.06107	0.8
289.07123	1.4
298.98288	0.8
300.99844	2.5
301.05060	3.2
302.05679	2.5
303.06616	13.4
319.06070	3.1
329.04535	83.1
330.05182	30.1
331.06039	12.6
332.06583	1.1
337.09500	0.7
342.05252	5.2
343.06088	7.6
344.06900	1.2
346.04718	3.7
347.05582	100.0
348.06290	59.7
349.06894	7.9
358.04828	1.6
359.05719	4.2
360.06390	13.8
361.07111	12.4
362.07544	1.4
373.07150	3.4
397.13498	0.9
417.15582	1.9
493.11472	2.1
509.10733	1.5
510.11639	24.6
511.12372	27.4
512.12677	3.1
523.12262	3.1
523.19464	0.8
659.21051	0.9
676.21582	36.1
677.22241	30.8
677.34033	1.5
678.22388	4.5
689.22095	4.3
690.22583	1.3
694.15643	0.8
839.26733	6.9
840.28076	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	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.7
61.98704	3.8
71.01262	8.2
80.96377	1.5
85.02792	1.4
86.08038	1.9
88.86538	1.3
89.02325	2.7
94.68481	1.3
95.04932	1.7
101.02315	5.1
111.08021	12.1
113.02345	3.5
116.92702	1.9
143.99812	1.5
160.22466	1.5
161.04449	1.6
167.10669	2.6
177.12721	2.3
179.10626	1.8
181.12134	1.6
195.13910	7.8
197.11812	2.9
225.78564	1.5
229.62885	2.0
247.20654	2.5
253.09259	9.6
273.18701	2.6
275.20105	4.3
289.18103	4.3
291.19650	100.0
292.19873	8.0
293.21262	13.1
294.21704	2.1
295.22794	1.6
307.19119	4.6
309.20724	2.4
579.35229	1.7
867.88501	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	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.5
63.10385	0.8
69.03307	2.3
69.39178	1.8
69.39595	4.6
69.96127	0.7
71.01251	9.6
72.99178	1.4
73.02801	1.8
81.03326	1.0
83.01257	3.1
83.04883	2.1
85.02803	2.8
87.00749	2.4
89.02317	6.4
95.01252	1.1
95.04900	2.1
96.95899	1.0
97.02825	1.5
97.06466	4.6
98.53882	0.8
101.02334	8.9
109.06454	1.8
111.08024	10.0
113.02307	6.6
119.03368	1.6
119.08568	0.8
123.04398	2.9
123.08035	1.3
123.46598	0.8
125.09620	6.7
127.07619	1.3
128.16055	0.7
135.08032	0.9
137.09579	2.3
144.77620	0.8
145.04962	0.8
149.06004	1.1
149.09625	1.0
161.04480	3.2
163.11220	4.4
165.12784	1.3
167.10681	3.0
169.08455	0.7
169.12207	1.8
171.10191	2.6
177.12703	2.0
179.05531	1.0
179.10719	2.0
179.14352	1.7
181.12213	1.2
185.11768	8.6
191.10703	0.8
191.14363	5.8
195.13812	15.1
196.14360	1.5
197.11769	20.8
198.12007	1.0
201.11249	2.9
205.12283	1.6
207.10220	2.8
209.11778	14.7
210.12296	1.1
211.13341	4.4
223.13364	8.4
225.11209	2.0
227.12860	3.8
228.13647	1.2
235.08118	2.2
237.11273	3.1
239.12871	1.4
242.97115	0.8
245.19069	11.1
247.20726	1.1
253.09241	23.4
254.09586	0.9
256.13159	1.7
263.20148	4.2
271.16949	1.0
273.18469	0.9
275.20148	8.2
276.20575	0.9
283.36093	0.8
289.18097	40.4
290.18369	2.8
291.19653	53.6
292.19974	3.5
293.21210	100.0
294.21481	8.1
305.76547	0.9
307.19131	30.6
308.19528	1.5
309.20663	16.1
310.20984	0.8
349.07892	0.7
397.13348	0.9
445.20630	2.1
799.06458	0.9
837.49896	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	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	21.1
61.98699	8.4
69.03326	3.5
71.01247	25.2
71.01622	2.0
72.99164	2.8
73.02815	3.6
75.00751	1.8
78.95769	1.5
80.96418	1.3
81.03348	1.7
83.01259	3.6
83.04881	2.5
83.44360	0.9
85.02824	6.8
87.00746	4.0
89.02311	15.3
91.03864	1.0
93.03337	1.5
95.01279	1.8
95.04892	1.9
96.95881	7.8
97.02814	5.2
97.06463	4.1
99.00753	3.1
101.02318	17.2
109.06468	1.9
111.00754	1.0
111.08041	14.6
113.02312	11.4
113.09602	1.4
119.03400	4.9
123.08004	1.1
125.02310	4.7
125.09605	8.9
127.11172	3.6
135.08049	1.6
137.09631	3.9
139.11130	1.6
143.03409	2.2
149.09531	1.2
151.11234	1.2
153.09146	2.0
153.12756	1.1
155.10675	2.5
161.04457	5.7
161.09593	1.2
163.11185	3.6
165.09088	1.5
165.12732	2.1
167.10695	3.1
169.12263	2.7
171.10194	7.4
175.90042	0.9
177.12794	2.3
179.05528	3.2
179.10674	2.3
179.14264	1.2
181.12196	2.1
185.11749	7.8
190.99431	0.9
191.10710	1.2
191.14351	3.6
194.12859	0.9
195.13809	13.6
196.14294	0.9
197.09969	2.0
197.11760	32.8
198.12041	1.9
199.09631	1.5
199.13298	2.0
199.83319	1.0
201.11253	100.0
202.11510	5.0
207.10205	1.6
209.11792	13.1
210.12199	1.2
211.13345	7.0
211.53333	0.9
217.15842	1.1
223.13309	9.0
225.11296	2.2
227.12852	3.6
235.08209	6.4
237.11292	3.4
239.12949	1.1
245.19054	10.2
246.19604	1.0
247.20647	2.8
253.09245	29.8
254.09621	1.3
255.23264	26.4
256.13037	1.1
256.23624	2.6
263.20245	4.0
273.18680	2.1
275.20178	6.2
276.20242	1.4
289.18082	43.1
290.18488	3.3
291.19653	92.7
292.19925	8.0
293.21204	75.6
294.21594	5.3
294.24606	1.0
295.22711	1.8
307.19119	34.0
308.19507	3.4
309.20676	46.3
310.20956	5.7
311.21808	1.8
327.21890	1.2
379.12259	1.6
397.13452	26.8
398.13849	2.4
415.14578	6.8
445.20810	1.7
527.28461	1.3
653.37518	1.4
819.47559	1.6
837.50580	6.8
838.49866	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	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.0
60.30867	0.3
61.98697	2.1
65.07705	0.2
69.03311	1.1
71.01250	4.5
72.99169	0.5
73.02834	1.3
78.95765	0.7
79.95571	0.2
80.02578	0.3
80.96391	0.5
83.01258	0.5
83.04887	0.5
85.02803	1.6
87.00739	0.9
89.02302	3.7
91.03864	0.3
95.01264	0.3
96.95890	3.3
97.06461	0.6
98.20570	0.8
99.00752	0.4
101.02316	4.3
109.06453	0.7
111.08033	11.3
112.08365	0.5
113.02303	1.9
119.03326	1.2
123.08024	0.4
125.02308	0.4
125.09629	0.3
127.07568	1.2
129.84962	0.2
136.38583	0.2
141.09106	0.5
143.03371	0.4
145.05009	0.4
149.09705	0.3
151.11169	1.0
153.09058	0.5
153.12718	1.2
155.10585	0.3
156.70207	0.3
161.04446	1.9
163.11108	0.3
165.12807	0.4
167.10698	0.6
169.12248	5.2
171.10170	0.4
179.05528	0.9
179.10725	0.4
181.12280	2.1
183.13853	1.4
184.07730	0.3
191.34810	0.2
193.12285	1.0
195.13828	0.3
197.11760	55.1
198.12079	2.8
199.13319	4.0
209.11751	0.9
210.12053	0.3
211.13341	11.0
212.13667	0.5
215.12817	0.3
223.13342	0.4
227.12848	2.6
228.13351	0.4
229.14354	0.5
235.08214	2.1
245.19554	0.3
247.20479	0.3
253.09256	24.7
254.09596	1.0
263.20142	5.0
264.20386	0.5
265.18100	1.4
273.18564	1.1
275.01712	0.3
289.18195	0.5
291.19644	19.2
292.19897	1.7
293.21204	3.2
294.21597	0.4
307.19006	0.7
308.19373	0.4
309.20682	100.0
310.21005	7.5
311.21979	0.4
433.20685	0.7
457.48706	0.3
527.28558	0.5
545.29712	2.4
546.29895	0.3
601.41162	2.5
602.41205	0.6
676.94226	0.3
739.42761	0.4
837.49506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	21.1
71.01253	10.3
71.28217	1.9
80.04933	1.6
85.02826	2.5
87.00779	1.2
89.02318	7.4
94.02879	1.8
95.01265	1.8
101.02332	6.3
106.06488	3.9
108.04428	3.2
113.02319	4.2
119.03352	2.0
121.05206	0.9
122.06012	4.9
124.03922	3.1
131.94136	0.9
132.04401	2.0
134.06017	16.6
136.03931	5.8
138.05499	2.4
146.05943	1.1
147.05508	2.4
148.03897	1.2
150.05487	4.0
152.07042	3.4
155.03381	1.1
162.05548	1.0
168.06509	2.4
174.83789	0.9
175.03787	1.1
176.88234	0.9
190.04977	2.8
191.05496	1.0
196.27225	1.0
201.10269	8.2
213.10277	4.2
227.11867	3.0
229.09801	9.3
229.13423	4.2
237.10332	1.5
239.11774	4.9
241.09836	1.5
245.13026	1.6
247.10806	1.2
249.10190	1.1
251.11595	1.0
255.11377	3.2
257.12927	2.4
263.08182	1.3
265.09818	1.8
267.11282	2.2
273.12469	2.1
277.09656	2.2
277.12860	0.9
279.11011	1.4
287.10446	1.1
289.11914	2.7
300.99826	1.1
301.11887	9.9
305.09326	2.5
319.13013	23.6
320.13287	3.1
337.11874	1.8
358.12106	1.1
359.12439	1.4
372.13556	1.7
373.14240	1.1
374.14960	3.1
386.11298	1.2
391.15564	1.0
392.15829	3.6
398.15170	1.2
400.12723	1.3
403.15073	1.4
406.17783	1.5
416.16110	3.7
418.13852	2.7
428.16010	1.3
431.14532	1.3
432.15869	3.3
434.17209	4.4
446.17303	5.6
460.14630	1.2
478.15948	1.9
504.76648	1.4
517.18268	1.6
607.22595	1.1
719.29926	1.1
761.30249	5.0
777.30573	2.1
787.28815	1.1
788.29523	0.9
805.29358	100.0
806.29730	20.9
837.32159	26.6
838.33105	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	836.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.98699	100.0
62.98402	0.2
71.01256	0.6
71.49641	0.2
76.02026	0.1
78.91766	0.2
78.95781	0.2
79.95608	0.3
80.96400	0.4
85.02848	0.3
89.02322	0.3
96.95905	0.9
97.02845	0.2
97.06458	0.2
101.02340	0.5
109.06497	0.4
111.08022	0.5
113.02369	0.3
123.08139	0.1
125.09615	0.2
135.08005	0.1
161.04518	0.2
163.11290	0.2
165.12810	0.1
167.10559	0.1
171.10181	0.9
177.12808	0.1
185.11775	0.1
195.13826	0.3
197.11810	0.4
198.12122	0.1
209.11743	0.6
211.13324	0.8
223.13316	0.3
229.14400	0.2
235.08176	0.6
247.20676	0.3
253.09244	1.3
254.09775	0.1
287.16599	0.1
289.18115	2.2
289.21140	0.2
290.18393	1.3
291.19681	4.5
292.20020	0.5
293.21213	1.1
294.21622	0.2
301.00018	0.1
305.17563	0.1
307.19254	0.4
308.19290	0.2
309.20694	2.0
310.21072	0.8
325.20212	0.2
327.21695	1.4
406.47000	0.1
527.28619	0.4
689.23230	0.1
836.47833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
60.82740	0.1
61.98700	100.0
62.98419	0.1
63.99128	0.1
71.01245	0.3
71.49944	0.1
72.99199	0.1
73.88867	0.1
75.00787	0.1
78.43465	0.1
78.95776	2.8
79.95611	0.4
80.91544	0.1
80.96386	0.8
81.03365	0.2
83.01262	0.2
83.04910	0.4
85.09790	0.1
87.90158	0.1
94.97977	0.2
96.95887	0.8
96.96846	0.2
97.06503	0.1
124.99986	0.1
125.02348	0.1
125.09594	0.2
134.43356	0.1
136.85420	0.1
152.99474	1.1
163.11243	0.3
165.12827	0.2
168.04277	0.3
171.10220	0.3
191.10765	0.2
195.13782	0.8
197.11705	0.1
201.11371	0.1
209.11765	4.1
210.12119	0.3
223.13358	0.3
224.07025	0.1
225.00752	0.2
226.12027	0.2
227.12903	0.6
241.14456	1.1
277.21844	0.4
291.19559	0.2
293.21344	0.2
295.22787	2.3
296.23373	0.1
300.99835	0.1
309.24274	0.2
323.23834	0.1
329.23254	0.2
423.13510	0.1
429.84335	0.1
641.34747	0.4
659.35565	2.7
660.36346	0.3
685.37488	0.2
730.43585	0.3
744.44556	1.3
745.44928	0.2
750.32239	0.2
762.45825	1.5
763.46411	0.2
836.41199	0.4
837.41229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98701	100.0
62.05182	0.1
62.98396	0.1
69.41735	0.1
70.89931	0.2
71.01266	0.3
78.95770	0.1
79.95625	0.1
80.96400	0.4
85.02879	0.1
88.98705	0.1
89.02300	0.1
96.95929	0.2
101.02333	0.1
116.92731	0.1
125.02368	0.3
135.04431	0.1
137.02336	0.1
142.69780	0.1
161.02357	0.2
169.01407	0.1
174.03091	0.1
175.03937	0.4
209.11821	0.6
210.12286	0.2
211.13245	0.1
227.12943	0.1
259.02240	0.1
275.02258	0.1
300.99991	0.1
674.19611	0.1
836.38391	0.4
837.39294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.8
60.63954	1.1
61.98702	25.9
69.03322	1.3
71.01253	10.7
71.49161	1.3
73.02806	1.7
79.21091	1.4
80.96394	3.7
83.01266	1.9
83.04906	2.1
85.02835	3.5
87.00738	1.7
89.02295	4.2
95.04897	2.5
97.02866	1.4
97.06444	3.2
101.02311	6.0
107.80112	1.1
109.06556	1.1
111.08025	2.8
113.02331	4.2
121.06471	1.2
123.08052	3.7
125.09598	10.3
135.04370	1.8
135.08058	3.8
137.09615	3.5
139.07553	1.7
144.37628	1.2
151.11292	1.3
153.09094	5.9
155.10669	14.1
161.04491	2.9
165.09064	2.8
171.10162	4.2
177.09090	1.5
177.12782	1.3
183.10182	8.8
185.11755	3.1
186.47572	1.2
195.10223	2.2
195.13799	8.5
196.77673	1.3
197.11795	1.4
199.09717	8.8
201.11249	4.3
207.10229	1.6
209.11755	3.3
213.11266	18.3
223.13341	5.8
225.11263	2.5
235.08156	2.9
243.17558	2.6
250.57600	1.2
253.09225	17.4
255.23247	2.2
256.13177	2.0
261.18643	2.3
275.20117	5.7
279.19556	3.0
287.16678	6.0
289.18121	4.0
291.19629	14.0
293.21219	100.0
294.21613	10.7
305.17587	20.8
306.17996	1.4
307.19061	4.8
309.20795	1.5
323.18613	19.8
324.18939	2.0
419.19244	8.4
449.20435	2.0
541.26660	2.9
559.27600	2.0
817.46478	2.0
835.48083	6.2
836.49078	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	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.9
61.98701	5.3
68.99691	1.3
69.03310	1.7
71.01248	10.6
72.99162	1.4
73.02814	1.5
75.00743	2.4
75.97372	0.7
78.95782	1.3
83.01238	1.8
83.04925	1.2
84.19827	0.8
85.02824	7.5
87.00765	2.9
89.02322	5.0
93.03323	1.9
95.04887	1.7
97.02808	1.1
97.06474	2.2
98.19757	1.2
99.00756	2.0
101.02319	6.5
106.04152	1.0
109.02867	0.8
109.06480	3.5
111.08045	2.9
113.02338	5.8
121.06494	1.2
123.08071	0.9
125.02323	1.8
125.09617	0.9
135.08008	1.1
137.09631	1.2
143.03429	0.9
145.05000	0.9
151.11223	1.0
161.04451	2.1
163.11241	1.4
165.12816	1.3
166.24634	0.8
169.12234	0.9
171.10146	1.3
177.12732	4.4
179.14299	1.5
181.12190	1.5
189.12755	1.4
191.14368	2.3
195.13824	19.6
196.14183	1.8
197.11769	10.4
198.12190	0.8
199.09602	1.6
203.10658	2.7
203.14279	1.7
205.12122	1.6
207.13765	1.1
209.11787	4.0
209.15419	1.2
211.13374	3.9
221.11729	4.0
221.15359	1.0
223.13361	6.9
227.12851	2.4
229.12283	3.2
235.08231	4.0
235.13348	9.5
237.14920	5.2
243.17546	2.0
245.19043	2.1
247.13345	16.1
248.13745	1.2
253.09290	16.3
255.23343	1.9
256.13263	1.6
261.18604	5.1
263.20105	1.9
265.14441	8.1
275.01785	1.1
275.20102	6.2
279.19659	3.5
287.16547	6.5
289.18073	7.6
290.15152	0.8
290.18225	1.5
291.19659	7.5
293.21213	100.0
294.21567	9.3
305.17584	26.2
306.17838	1.9
307.19147	7.6
309.20721	11.1
323.18604	2.6
326.44781	0.8
397.12906	0.8
425.99579	0.9
429.38843	0.9
457.20795	1.3
471.22339	1.6
483.22467	2.0
484.22311	0.9
501.23364	2.2
525.26868	1.1
541.26563	2.3
586.94550	0.8
602.16473	0.8
720.61951	0.8
747.42853	1.2
759.43549	1.9
777.43988	5.6
778.44659	2.1
809.88281	1.0
817.47449	2.9
835.48834	12.4
836.49219	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	835.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.6
59.73753	0.3
61.98702	28.1
69.03329	0.6
69.79050	1.0
69.79459	0.6
71.01255	5.1
71.04902	1.2
72.99189	0.3
73.02827	1.3
78.95773	0.8
79.95625	0.7
80.02560	0.6
80.91557	0.4
80.96380	2.1
81.03326	0.9
81.20476	0.3
82.95299	1.1
83.01254	0.8
83.02369	0.3
83.04902	0.9
85.02834	1.1
87.00777	1.0
88.36067	0.3
89.02316	2.7
93.03331	0.4
94.97942	0.6
95.01263	0.7
95.04905	1.3
96.95850	0.6
97.02831	0.5
97.03522	0.3
97.06495	0.5
98.03635	0.4
99.00771	0.4
101.02325	4.4
106.04123	0.7
107.04914	0.6
109.02740	0.3
109.06477	7.1
110.06865	0.3
111.00774	0.4
111.04400	2.1
111.08039	6.6
113.02361	2.4
119.03373	0.6
121.06477	0.5
121.10144	0.4
123.08043	1.6
124.04713	0.4
125.02324	0.7
125.09569	0.4
127.07553	1.3
135.08057	0.8
137.02217	0.4
137.09584	0.6
141.01659	0.5
143.03348	0.5
143.10693	0.9
145.05022	0.4
145.06508	1.0
149.05899	0.3
149.09602	0.8
151.11151	0.8
153.09113	0.3
153.12807	0.5
159.08153	0.4
161.04424	2.4
161.09671	0.4
163.11119	0.7
164.98466	0.3
167.10744	1.4
169.12248	2.6
171.10181	0.7
177.12793	0.7
177.22617	0.3
179.05515	0.7
179.10701	1.2
181.12222	1.0
183.13823	0.7
191.14276	0.5
195.13846	3.3
197.11760	31.0
198.12051	1.6
199.13293	1.9
209.11794	0.9
211.13354	5.2
217.15883	0.4
221.11707	0.3
225.00786	0.4
227.12936	0.7
235.08170	3.8
235.13269	1.0
245.19066	4.5
246.19455	0.4
251.16528	0.5
253.09242	17.4
254.09618	0.5
261.18625	0.4
263.20148	3.0
265.18091	0.7
271.17038	1.6
273.15024	0.6
273.18637	0.7
275.02103	0.5
287.16541	1.9
289.18091	100.0
290.18451	7.0
291.19662	12.2
291.23047	0.5
292.20029	0.8
293.21268	1.3
300.99884	1.5
305.17508	0.4
307.19147	6.2
308.19409	0.5
309.20703	49.1
310.21082	3.8
525.27057	3.5
526.28247	0.5
545.29266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.5
59.01248	5.6
59.27650	0.3
59.61851	0.3
61.98698	77.7
64.97588	0.3
65.13721	0.3
69.03322	0.8
70.01754	1.3
71.01247	5.2
71.04893	1.4
73.02824	1.0
73.86163	0.3
75.00740	0.4
78.95786	0.9
79.95612	0.5
80.02544	0.4
80.96393	1.0
81.03329	1.4
82.95282	0.9
83.01273	0.6
83.04906	1.0
85.02845	1.3
87.00751	0.8
89.02319	3.6
94.97962	0.5
95.01278	0.6
95.04919	1.0
96.95885	10.2
96.96834	0.7
97.02827	1.1
97.06490	0.5
98.03619	0.4
98.20582	0.4
101.02325	4.2
106.04104	0.6
109.06468	8.4
110.73837	0.3
111.04420	2.4
111.08031	6.0
112.08345	0.4
113.02308	2.3
119.03387	0.8
120.05688	0.4
121.06464	0.5
121.10104	0.6
123.04390	0.5
123.08048	1.2
125.02331	0.4
125.09612	0.7
127.07558	1.8
133.04910	0.3
133.10098	0.4
135.08043	0.9
137.09612	1.0
141.09052	0.3
143.10690	0.9
145.04947	0.6
145.06511	1.8
149.09604	0.6
151.11230	0.9
153.09161	0.4
153.12730	0.7
161.04468	1.6
163.11253	1.0
165.12743	0.9
167.10696	1.8
169.12253	2.8
171.10205	1.2
175.11279	0.4
177.12798	0.7
179.05542	0.5
179.10678	1.4
181.12231	0.9
183.13881	0.8
193.12299	0.5
195.13828	3.1
197.11751	35.9
198.12065	2.1
199.13313	1.8
207.10292	0.5
209.11737	1.3
211.13351	5.1
212.13838	0.3
217.15804	0.5
223.13341	0.5
227.12849	1.8
235.08206	3.3
235.13313	0.9
245.19043	3.8
246.19472	0.5
247.20605	0.9
251.16458	0.5
253.09250	15.2
254.09492	0.4
263.20157	1.2
265.18140	1.2
271.16968	0.9
273.18561	0.7
287.16464	2.3
289.18085	100.0
290.18420	8.6
291.19653	16.0
292.20013	1.4
292.23013	0.3
293.21185	2.4
300.99960	0.4
305.17511	0.4
307.19241	4.5
309.20697	47.9
310.20999	4.2
433.20505	0.5
469.29568	0.3
525.27185	3.1
545.29657	1.1
604.36292	0.4
620.47693	0.3
705.38611	0.4
817.46234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.3
59.01250	8.6
59.24226	0.1
69.03316	0.6
69.36697	0.7
69.37112	0.4
71.01252	7.7
71.04854	0.1
72.99171	0.5
73.02812	1.2
75.00729	0.3
80.02542	1.2
81.03337	1.6
83.01249	0.9
83.04892	5.2
84.02026	0.8
85.02827	1.5
87.00747	2.1
87.04361	0.2
89.02319	6.4
89.56149	0.1
93.03374	0.2
95.01240	0.8
95.04903	1.1
97.02825	1.3
97.06466	0.3
99.00760	0.4
101.02320	5.6
109.02829	0.2
109.06462	0.3
111.00746	0.2
111.04411	0.3
111.08067	0.2
113.01532	0.2
113.02328	3.5
114.02682	0.2
119.03392	1.6
121.02821	0.2
123.00684	0.1
123.08003	0.2
125.02342	3.0
125.05992	0.7
125.09605	0.3
131.03384	0.5
133.05011	0.2
135.04488	0.1
135.08066	0.7
139.03845	0.2
141.01836	0.3
143.03410	1.2
147.11702	0.2
149.04477	0.2
149.09583	0.2
158.97998	0.1
161.04471	1.5
163.11203	4.7
165.12770	2.6
167.03416	0.2
171.10191	0.7
179.05525	1.9
181.04945	0.1
181.12263	0.7
185.11781	0.2
189.12766	0.1
191.10732	0.9
199.06053	0.1
199.13319	0.2
202.77457	0.1
207.03197	0.1
209.11768	100.0
210.12115	6.7
210.13748	0.1
210.14195	0.2
211.13527	0.1
217.07146	0.3
221.06622	0.9
221.11763	0.2
227.12839	16.0
228.13252	1.1
235.08195	2.3
236.08723	0.2
247.13362	0.7
251.12923	0.6
253.09221	0.4
263.07651	0.3
265.14474	0.3
287.07779	0.9
300.99829	0.2
305.08871	1.1
323.09802	0.5
379.12378	2.3
397.13492	20.1
398.13712	1.6
401.23306	0.2
415.14563	5.8
416.15088	0.4
419.24402	0.3
431.18832	0.1
461.10721	0.3
589.24921	0.3
607.26233	1.3
608.26874	0.2
773.35455	0.2
799.37396	0.4
800.38159	0.2
817.38275	0.3
818.39069	0.2
835.39502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01208	0.1
61.98701	100.0
62.98400	0.2
67.08223	0.1
69.45599	0.6
77.93784	0.1
78.91774	0.1
78.95799	0.1
79.95620	0.1
80.96408	0.1
95.48861	0.1
98.33691	0.1
106.65219	0.1
116.92330	0.1
129.14330	0.1
222.57443	0.1
285.17279	0.1
285.20624	0.1
289.18182	0.2
290.18481	0.1
330.48444	0.1
520.56836	0.1
695.50043	0.1
774.30286	0.1
835.41077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.5
59.01249	8.7
69.03318	0.4
70.64178	0.2
70.64502	0.2
71.01251	7.8
71.04874	0.3
72.01575	0.1
72.99189	0.6
73.02818	1.1
75.00733	0.2
80.02540	1.2
81.03323	1.9
83.01257	1.0
83.04894	5.2
84.02046	1.0
85.02825	1.9
87.00751	1.9
87.04396	0.1
89.02313	6.8
90.02616	0.1
91.03905	0.1
93.03333	0.3
95.01260	0.6
95.04909	0.7
97.02829	1.4
97.06448	0.3
99.00768	0.6
101.02319	5.8
102.02656	0.1
107.04926	0.2
109.02843	0.2
109.06487	0.3
111.00758	0.1
111.04481	0.3
111.08025	0.1
113.02333	3.7
116.33210	0.1
119.03381	1.9
123.04440	0.1
123.08071	0.2
124.01493	0.2
125.02331	2.9
125.05951	0.7
125.09608	0.3
131.03413	0.4
133.02844	0.1
133.04973	0.2
135.08018	0.8
137.09557	0.1
139.03889	0.3
141.01825	0.2
143.03426	1.2
145.04976	0.1
147.11716	0.4
149.04482	0.2
151.03932	0.7
160.21747	0.1
161.04468	1.3
163.09825	0.2
163.11192	4.1
164.11542	0.2
165.12767	2.5
166.13193	0.1
167.03400	0.2
169.04991	0.1
171.10150	1.0
175.03949	0.6
179.03340	0.1
179.04028	0.2
179.05533	1.9
179.07010	0.2
181.12283	0.5
185.11839	0.1
191.10693	1.0
199.05997	0.3
199.13332	0.3
203.14337	0.1
208.74289	0.1
209.11763	100.0
210.12100	6.4
217.07085	0.4
221.06647	0.8
221.11761	0.2
223.13393	0.2
227.12833	14.1
228.13171	0.7
233.11848	0.1
235.08199	2.6
236.08694	0.1
245.06595	0.2
247.13312	0.9
251.12860	0.3
253.09232	0.4
259.08215	0.2
263.07672	0.3
265.14450	0.3
287.07727	0.7
302.02271	0.1
305.08694	0.8
313.88138	0.1
323.09814	0.4
361.11484	0.2
379.08331	0.1
379.12436	2.7
397.13467	18.0
398.13818	1.8
415.14526	5.1
416.14990	0.4
419.24313	0.2
437.25351	0.1
563.14777	0.1
589.24927	0.3
607.25928	1.0
773.36707	0.2
799.37604	0.5
800.38013	0.2
817.38477	0.3
835.39630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
61.98700	100.0
62.98398	0.2
62.99138	0.1
66.44481	0.1
69.23398	0.1
69.23812	0.7
71.01253	0.6
73.30784	0.1
78.95786	0.2
80.96413	0.2
83.04907	0.1
87.00781	0.1
89.02335	0.3
93.22248	0.1
95.01311	0.1
96.95889	0.1
97.02863	0.1
98.19749	0.1
101.02342	0.2
113.02353	0.2
116.92754	0.2
119.03364	0.1
123.04384	0.1
125.02345	0.3
151.03893	0.1
161.02353	0.1
163.11234	0.1
171.10161	0.1
174.03142	0.1
175.03915	0.2
199.13371	0.2
207.10233	0.1
209.11763	1.0
210.12158	0.2
223.13322	0.2
224.13710	0.2
225.11324	0.2
227.12842	0.2
257.60040	0.1
300.99905	0.2
397.13586	0.3
415.14728	0.1
508.89215	0.1
710.00500	0.1
834.37726	0.2
835.38635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.1
61.98701	100.0
62.98404	0.1
62.99136	0.1
71.01269	0.2
72.99185	0.1
75.00740	0.4
78.95794	0.2
80.96394	0.1
83.01302	0.1
88.98697	0.1
96.95918	0.1
98.20547	0.2
116.92728	0.1
139.10693	0.1
207.10228	0.1
209.11826	0.3
211.13431	0.1
229.30101	0.1
254.17702	0.1
300.99954	0.1
488.34149	0.1
504.54462	0.1
690.99078	0.1
832.39813	0.1
833.39069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.1
61.98700	100.0
62.98401	0.3
62.99105	0.2
69.40083	0.1
71.01240	0.1
71.08192	0.2
71.08525	0.1
75.00752	0.1
78.95776	0.5
78.96220	0.1
79.95627	0.2
80.96398	0.5
94.97938	0.1
152.99525	0.1
203.42839	0.1
204.08675	0.1
209.11766	1.1
225.00749	0.2
264.88733	0.1
267.54495	0.1
293.21268	0.3
397.13547	0.2
639.33435	0.2
657.34650	0.4
742.42090	0.2
760.44257	0.3
835.41125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.1
61.98701	100.0
62.98400	0.1
71.01253	0.1
71.50253	0.1
72.89075	0.1
75.00744	0.6
78.95798	0.3
80.96381	0.1
88.98675	0.1
89.02299	0.1
101.02366	0.1
109.06483	0.1
116.38488	0.1
119.88356	0.1
125.02360	0.1
129.76091	0.1
143.44753	0.1
152.99551	0.1
207.10236	0.1
209.11760	0.3
211.13263	0.1
241.01204	0.1
275.01910	0.1
300.99857	0.1
327.21887	0.1
341.59210	0.1
357.64926	0.1
488.34241	0.1
566.90942	0.1
585.67725	0.1
833.37891	0.1
837.93829	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	832.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.1
61.98701	100.0
62.98400	0.1
71.01253	0.1
71.50253	0.1
72.89075	0.1
75.00744	0.6
78.95798	0.3
80.96381	0.1
88.98675	0.1
89.02299	0.1
101.02366	0.1
109.06483	0.1
116.38488	0.1
119.88356	0.1
125.02360	0.1
129.76091	0.1
143.44753	0.1
152.99551	0.1
207.10236	0.1
209.11760	0.3
211.13263	0.1
241.01204	0.1
275.01910	0.1
300.99857	0.1
327.21887	0.1
341.59210	0.1
357.64926	0.1
488.34241	0.1
566.90942	0.1
585.67725	0.1
833.37891	0.1
837.93829	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	831.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
63.96113	1.5
69.03326	1.0
71.00896	0.9
71.01260	8.4
73.02815	2.4
78.98468	7.1
79.95607	37.4
80.96389	85.2
81.03331	0.7
85.02846	3.0
87.00771	3.9
94.97958	18.7
96.95894	1.6
97.02823	2.0
99.00810	0.6
101.02348	3.4
106.97985	3.1
122.97468	4.4
125.02335	3.7
127.03905	0.8
134.97473	7.0
136.99010	2.0
148.99037	7.8
149.46147	0.5
152.98552	7.1
161.04466	0.8
164.98547	12.7
167.00095	0.6
174.54250	0.6
188.98589	0.6
206.99562	3.7
209.01602	0.5
218.05862	0.6
225.00700	23.0
226.00945	1.3
227.89220	0.6
238.99228	0.6
241.00169	1.2
255.23293	1.6
283.04907	3.5
286.38315	0.5
341.05420	1.9
355.07037	1.4
537.27423	2.2
575.25647	1.3
609.29700	1.4
651.34961	0.8
679.37598	0.7
693.39301	0.7
733.41492	0.8
762.42664	0.7
831.49335	100.0
832.49609	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	831.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.7
59.15682	0.4
63.96098	1.6
67.12654	0.4
69.03297	0.5
71.01248	7.7
71.11560	0.6
71.11886	0.5
73.02821	2.0
78.98457	5.9
79.95603	32.5
80.96385	75.9
81.03323	0.8
81.96352	0.4
82.95934	0.6
85.02814	2.9
87.00751	2.6
93.93935	0.4
94.97958	18.3
96.95883	1.3
97.02811	1.4
99.00729	0.6
101.02303	2.8
102.65722	0.4
106.97937	2.7
113.02333	0.6
118.00778	0.4
122.97458	3.9
125.02307	2.6
127.03954	0.6
134.97475	5.8
136.99075	2.3
143.88051	0.4
146.97520	0.5
148.99054	6.4
152.98541	5.6
161.04453	0.9
164.98534	13.1
167.00072	0.7
179.00102	0.5
188.98550	0.6
206.99596	4.4
225.00674	22.4
226.01115	0.8
241.00114	1.3
254.12761	0.4
255.23132	2.1
281.03281	0.5
283.04938	2.4
341.05438	2.2
351.47781	0.4
355.07056	1.3
425.14764	0.6
454.46396	0.5
537.27356	2.5
538.27356	0.6
546.66302	0.5
575.25049	1.2
592.10352	0.4
609.29309	1.1
637.32672	0.7
651.34009	0.6
693.38715	1.1
733.42181	0.7
761.41010	0.5
831.49274	100.0
832.49640	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	831.474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.9
60.41798	0.9
60.99158	1.0
61.98700	100.0
71.01249	2.3
72.99177	2.6
75.00741	41.1
78.91810	1.1
78.95779	5.2
79.95596	1.6
80.96397	3.1
83.04895	2.4
88.98685	2.6
89.02319	2.4
94.97971	0.9
97.02853	1.4
101.02345	1.3
113.02252	1.1
118.78693	0.8
144.60942	0.9
152.99490	1.5
163.11203	1.3
165.12711	1.0
171.10197	1.9
195.13866	3.7
207.10185	1.1
209.11757	49.3
210.12109	3.6
211.13341	3.9
223.13269	2.0
225.11305	1.4
225.14963	1.2
227.12828	7.0
229.46622	1.3
235.08147	2.4
240.77861	1.1
253.09259	7.1
255.23167	1.7
275.20023	1.8
291.19763	4.5
293.21188	29.4
294.21466	3.2
300.99899	1.7
309.20584	1.7
408.41669	0.9
445.20898	2.1
506.59125	1.0
529.30298	1.3
831.36719	1.3
831.50397	1.9
832.49677	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	831.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.9
59.01247	20.8
60.01567	0.3
60.03351	0.3
61.98705	1.6
69.03308	3.1
70.52665	0.9
71.01250	16.8
71.04881	1.2
72.01573	0.3
72.99174	1.2
73.02818	2.2
75.00738	0.4
78.95781	0.6
80.02540	1.4
80.72263	0.2
81.03323	2.3
83.01266	2.0
83.04899	4.5
84.02044	0.9
85.02814	3.7
87.00747	3.6
89.02312	15.0
93.03365	0.4
95.01258	2.0
95.04883	1.5
97.02811	2.4
99.00761	1.1
101.02316	13.2
109.02813	0.5
109.06466	0.7
111.00774	0.6
111.04408	0.6
111.08003	0.4
113.02326	7.0
115.03883	0.4
116.13155	0.2
119.03372	3.7
125.02315	5.4
125.05965	0.5
125.09593	0.7
131.03378	1.2
133.04964	0.4
135.08005	0.8
139.03896	0.7
141.01875	0.4
143.03412	2.3
145.04922	0.4
149.04468	0.4
161.04462	2.8
161.13258	0.5
162.72499	0.3
163.11194	3.7
165.12767	2.7
167.03339	0.4
167.10651	2.0
171.10208	0.9
175.03917	0.7
177.12753	0.6
179.05524	5.2
179.10690	1.0
179.14342	2.6
181.12265	0.6
188.86227	0.3
191.10683	1.0
195.13817	7.8
196.14223	0.5
205.12260	7.9
206.12653	0.4
209.11755	100.0
210.12083	6.1
221.06615	1.6
223.13333	76.6
224.13676	5.9
227.12827	16.4
228.13158	1.2
235.08191	4.6
245.06729	0.5
253.09296	0.7
255.23198	0.4
261.14960	1.1
263.07547	0.4
265.14392	0.5
283.49622	0.3
287.07773	0.9
305.08713	1.5
323.09775	1.4
356.02826	0.3
379.12411	5.7
389.23233	0.3
397.13455	43.3
398.13864	3.0
415.14514	10.4
416.14825	0.8
427.19464	0.4
433.25821	0.3
576.85651	0.3
589.25043	0.8
603.26715	3.7
604.27026	0.8
607.25775	1.4
608.26282	0.3
621.27673	6.6
622.28021	0.9
660.82227	0.3
751.79224	0.3
795.38306	1.0
813.38947	1.4
831.36176	0.4
831.50269	0.8
857.64960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
61.98701	100.0
62.98419	0.1
65.35515	0.1
71.50622	0.2
74.53875	0.1
75.00751	0.3
78.95808	0.4
80.96416	0.2
88.98704	0.4
116.92756	0.1
125.02365	0.2
125.23074	0.1
171.10274	0.3
207.10240	0.2
209.11787	0.5
220.21265	0.1
227.12927	0.1
229.11649	0.1
275.01947	0.1
288.90164	0.1
293.21338	0.4
301.00037	0.2
488.34799	0.2
673.52765	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	829.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.3
59.23627	0.2
60.99174	17.5
61.98698	3.8
72.99167	0.2
81.11484	0.2
87.00742	1.3
88.00279	2.1
88.98674	100.0
89.02306	8.5
89.99023	0.9
94.91865	0.2
98.19698	0.4
106.62502	0.2
156.22780	0.2
193.78323	0.2
199.82240	0.2
209.11723	1.6
221.11522	0.2
223.13365	0.2
227.12820	0.4
250.11923	0.2
253.09190	0.3
293.21246	1.4
294.21429	0.3
323.22571	0.2
393.16122	0.3
427.35236	0.2
453.15326	0.2
487.34525	0.4
542.64301	0.3
596.04089	0.3
750.08240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.3
61.98705	52.1
67.65690	2.8
69.03326	5.1
70.36475	3.1
71.01248	19.4
71.51234	5.5
72.99173	18.7
73.02834	4.5
75.00736	4.9
78.95789	8.2
80.96373	3.4
85.02826	12.2
87.00758	3.1
89.02324	6.2
96.95895	5.4
97.06465	5.0
101.02335	9.5
105.35647	2.9
109.02821	3.9
111.00712	4.5
113.02287	5.6
114.61697	3.4
125.02335	11.7
137.02359	3.9
137.09480	3.3
139.87627	3.3
145.04971	3.7
147.04501	4.5
161.04482	4.8
165.12709	3.5
169.01337	5.6
171.10190	25.3
175.03934	5.9
195.13867	13.7
201.11221	13.1
203.03459	4.0
205.12222	12.6
209.11734	41.5
211.04036	5.0
211.13338	18.3
223.13333	100.0
223.15392	6.8
224.04810	5.1
224.13681	7.0
229.01460	3.8
229.14301	11.5
235.08179	14.8
239.03687	3.5
240.04150	4.6
253.09242	40.6
275.01956	15.3
279.65918	3.7
291.19812	5.1
293.21194	10.3
298.98132	4.1
300.99866	19.6
309.20694	12.6
327.21753	91.2
328.22284	8.4
365.13651	9.2
391.02896	6.8
459.22205	19.1
487.33142	3.5
508.37463	4.1
557.77686	3.8
563.30798	6.9
769.45227	7.8
812.35956	4.7
829.36823	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	829.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.0
60.39069	0.4
60.99162	1.0
61.98691	2.1
64.84520	0.4
67.01748	1.7
69.03338	0.7
71.01252	2.0
71.51768	0.9
72.99185	2.3
73.02777	0.5
74.90812	0.4
75.00723	0.6
76.85040	0.4
78.95778	0.4
81.03376	0.5
81.78611	0.4
83.01266	0.6
83.04888	0.5
85.02840	2.9
87.00743	1.0
88.98668	4.0
89.02305	1.2
93.03329	11.2
95.01263	0.7
95.04909	0.6
96.57384	0.5
101.02334	0.7
109.02837	1.2
111.00724	0.7
111.04400	1.9
113.02325	0.8
115.54201	0.6
119.04935	0.7
121.02852	0.6
122.02386	0.7
123.00771	1.7
125.02339	1.4
133.02898	0.4
135.04442	0.8
137.02333	2.7
155.03378	1.9
159.04469	0.6
161.02330	1.1
163.03864	0.9
165.01860	0.5
169.01280	0.8
173.04471	14.0
174.03198	0.5
175.02475	0.5
175.03931	1.3
191.05556	6.0
192.06010	0.4
193.26295	0.5
209.11728	1.4
233.06622	0.9
284.04135	0.5
300.02792	0.5
300.99866	1.6
301.03275	0.6
314.05798	1.7
315.06445	0.7
324.08276	0.5
327.06522	0.6
359.27802	0.6
403.09607	1.1
405.07416	0.9
406.08411	1.6
416.07095	0.8
417.07352	0.8
420.06213	1.7
430.08307	1.8
431.09241	9.3
432.09683	2.0
433.07135	12.3
434.07791	7.5
435.08310	0.7
447.08749	1.3
448.09598	4.7
449.10284	100.0
450.10590	13.6
475.08282	0.9
491.11517	1.3
493.09384	8.4
494.09598	1.7
611.15643	9.1
612.15747	1.4
649.13458	6.3
650.13611	1.0
667.14508	9.5
668.15149	1.7
709.15173	1.4
770.21100	0.5
829.19391	3.7
829.34064	0.7
830.20325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	7.7
61.98700	5.4
65.03827	0.9
67.01753	3.0
69.03341	1.1
71.01254	5.7
71.39088	1.0
71.52058	1.4
72.99169	1.5
81.03340	2.1
83.01260	2.8
83.04885	2.2
85.02817	9.3
85.37150	0.9
87.00739	1.7
88.98680	2.4
93.03336	25.3
95.01260	1.0
96.95868	3.7
97.02872	1.3
99.00733	1.0
99.04381	1.4
99.75764	1.0
108.02026	1.3
109.02852	2.9
111.00793	1.5
111.04404	4.0
113.02337	1.7
116.92741	1.4
121.02838	1.3
123.04401	1.6
125.02360	5.0
127.03895	1.2
128.07300	0.9
130.22456	0.9
135.04439	1.0
137.02338	4.9
139.00374	1.2
140.58478	1.0
145.02858	1.1
149.05916	1.1
151.00194	0.9
151.03946	1.4
155.03401	2.6
161.02341	2.9
163.03860	1.6
169.01382	2.9
173.04494	20.0
173.05894	0.7
175.03891	3.5
184.39693	0.8
191.05540	19.3
191.07166	1.7
202.35060	1.0
209.11755	1.4
221.04602	1.2
227.11636	0.9
233.06625	2.0
275.01950	2.3
290.05792	1.2
293.04517	2.5
300.99850	3.2
313.05072	1.8
314.05878	4.0
315.06662	5.0
327.06610	2.1
354.05127	1.4
385.08557	1.0
388.07272	1.2
393.11035	1.3
402.08652	1.5
403.09799	1.7
405.07449	2.3
416.06757	2.9
417.07645	2.3
419.05347	1.5
420.05988	4.4
421.10895	1.7
429.07825	2.1
430.08405	6.6
431.09232	44.2
432.09805	9.1
433.07101	22.9
434.07806	20.4
435.08182	1.5
447.08521	3.8
448.09521	31.3
449.10260	100.0
450.10626	13.9
457.06802	1.6
458.07730	1.1
475.08209	4.8
477.09698	1.3
491.11746	1.7
493.09381	10.7
517.09058	1.1
611.15613	13.5
612.15692	2.6
637.13055	2.3
649.13495	15.7
650.13751	4.0
655.14392	8.9
656.14752	2.1
666.13776	9.3
666.23456	1.6
667.14508	62.2
668.14795	11.0
709.15039	3.3
829.19733	26.1
829.34937	1.3
830.20105	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	829.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.9
61.98698	7.9
63.66164	1.0
67.01745	2.8
68.10764	1.0
69.03326	1.5
69.98958	4.5
71.01237	5.5
73.02795	1.3
82.18882	0.9
83.04902	1.7
85.02822	8.6
87.00729	3.3
88.98668	4.5
89.02288	1.1
93.03329	26.1
96.95878	2.5
98.20492	1.3
101.02301	2.1
109.02834	2.0
111.00795	1.9
111.04401	5.0
113.02289	1.1
119.04889	1.3
121.02806	2.3
123.04433	1.1
125.02325	3.8
127.03905	1.8
133.02806	1.0
135.04410	1.7
137.02333	4.5
139.00288	1.3
143.03380	1.1
145.02847	1.2
149.72540	0.9
152.01079	1.2
155.03389	1.7
159.04388	1.4
161.02362	2.5
165.01958	1.6
169.01320	2.0
173.04456	20.9
174.03041	1.1
175.03912	2.4
179.03436	2.1
181.04900	1.3
191.05542	17.6
191.07184	2.0
209.11760	1.7
215.03401	1.0
229.01326	1.3
245.05820	1.1
300.02612	1.7
300.99698	3.6
313.04971	1.2
314.05707	3.6
315.06613	3.2
327.06549	1.7
369.15967	1.1
391.09521	1.4
403.09637	2.2
405.07498	2.8
413.07770	1.2
416.06622	2.3
417.07849	1.7
420.05994	4.7
429.07571	1.8
430.08463	7.4
431.09222	47.1
432.09995	8.7
433.07086	20.7
434.07825	19.4
435.08170	2.8
447.08597	5.6
448.03192	1.2
448.09488	34.8
449.10242	100.0
450.10526	13.2
457.07077	1.6
458.07611	2.2
475.08344	4.9
491.11380	1.2
493.09241	11.5
493.20038	1.6
494.09518	2.3
611.15558	14.9
612.15894	1.3
624.88623	1.1
649.13446	15.3
650.13928	2.4
655.14551	10.1
666.13495	7.5
667.14496	64.0
668.15039	10.4
709.15472	4.1
790.04840	1.3
811.18738	1.7
829.19855	30.1
829.34851	1.0
830.19916	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	829.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23027	0.6
59.01252	7.1
63.52458	0.7
69.35550	3.8
69.35963	2.0
71.01244	1.7
72.03273	0.7
83.04889	1.7
83.60632	0.7
85.02821	10.0
87.00750	2.1
93.03330	8.4
100.47309	0.7
109.02830	1.8
111.04398	3.3
112.55458	0.7
125.02366	0.9
127.03874	2.3
136.83342	0.7
137.02390	0.8
139.68053	0.8
145.02844	0.8
147.24257	0.7
155.03424	1.5
158.57607	0.7
161.02345	0.8
164.85757	0.8
169.01332	1.0
173.04420	4.9
181.68472	0.6
191.05528	32.0
192.05891	1.1
261.05460	0.7
270.62222	0.9
299.02505	0.7
301.04822	0.9
313.05072	1.5
314.05725	2.2
315.06693	5.0
327.06470	2.5
354.05615	0.9
375.10349	1.6
377.08081	1.2
385.08542	0.9
388.07419	1.2
389.08185	1.0
393.11346	1.1
401.07986	1.0
402.08832	1.2
403.09692	2.1
405.07346	1.4
414.08926	1.2
416.06741	2.0
417.07620	1.5
418.08206	0.9
419.09674	1.5
420.06116	4.6
429.07700	2.0
430.08304	7.1
431.09174	56.3
432.09842	9.6
433.06851	15.5
434.07761	16.7
435.08224	3.4
447.08612	3.2
447.14471	1.0
448.03156	1.3
448.09464	30.8
449.10236	100.0
450.10635	15.0
455.09070	1.0
457.06976	1.5
458.08084	1.1
461.11038	1.1
473.10886	1.8
475.08286	8.8
476.08514	1.8
491.11572	0.9
492.08432	1.0
493.09253	7.8
494.10056	0.9
611.15588	10.7
612.15826	2.0
623.14984	1.1
637.13629	1.3
649.13440	19.4
650.13934	4.2
655.14282	5.4
656.15137	1.0
666.13885	5.3
667.14429	61.2
668.14771	11.6
709.15155	4.3
829.19653	18.5
830.20361	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	829.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
61.98692	0.5
67.01745	0.5
71.00195	0.4
71.01244	1.0
81.03316	0.7
83.04880	0.7
85.02822	3.5
87.00743	1.0
88.52275	0.2
89.02322	0.3
93.03333	5.2
99.04395	0.4
101.02307	0.3
108.02075	0.3
109.02824	0.6
111.04391	2.0
113.02330	0.3
121.02812	0.3
127.03859	0.8
127.04712	0.2
129.01830	0.4
137.02307	0.7
139.04993	0.2
155.03433	1.7
159.04391	0.4
171.02895	0.4
173.04457	4.3
177.16823	0.3
191.05530	14.6
192.05876	0.6
213.84694	0.2
233.06587	0.9
314.05893	1.9
315.06604	1.3
316.05853	0.3
327.06668	0.7
339.06781	0.2
375.10349	0.5
377.08124	0.7
378.08652	0.5
385.08566	0.2
389.08139	0.5
393.11111	0.4
401.08258	0.4
402.08768	0.7
403.09787	1.3
405.07498	1.6
406.08380	1.5
407.08655	0.4
416.06836	0.5
417.07547	1.5
418.08145	0.4
419.09280	0.7
420.06064	1.8
421.10977	0.4
429.07465	0.9
430.08344	2.3
431.09195	19.4
432.09683	3.5
433.07108	14.1
434.07727	8.8
435.08414	0.8
445.10498	0.3
447.08740	1.2
448.09433	6.1
449.10269	100.0
450.10638	14.7
473.09860	0.4
475.08179	2.9
476.08804	0.5
491.11530	2.5
492.09738	0.2
493.09198	3.9
493.16260	0.3
494.09659	0.7
593.14355	0.6
611.15552	6.0
612.15918	1.0
637.13562	0.6
649.13470	8.8
650.13599	1.8
655.13977	0.3
666.13940	0.4
667.14502	16.6
668.14966	3.6
709.15808	1.3
763.16626	0.3
829.19751	7.0
830.20319	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	829.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
61.98706	7.8
63.11852	0.9
67.01741	1.3
68.38319	1.0
69.03306	1.6
69.54713	0.9
71.01239	3.8
76.14206	1.0
78.95774	1.5
80.41940	0.9
83.01231	1.0
83.04849	0.9
85.02821	8.6
87.00730	2.0
87.29856	0.9
88.98666	1.0
89.02332	1.5
93.03335	11.3
96.95892	2.9
98.19825	1.7
99.04375	2.3
106.98444	0.8
109.02813	1.5
111.00737	1.1
111.04391	3.6
112.91833	0.8
113.02355	1.5
121.81400	0.9
125.02315	1.6
137.02313	2.2
143.03400	2.1
161.02402	1.2
169.01321	1.1
173.04512	4.5
175.03897	1.3
176.61603	0.9
191.05544	24.1
207.10121	1.2
209.11829	1.9
217.03378	1.1
223.13313	1.5
225.11220	3.3
254.28525	0.9
275.01959	2.1
300.99896	4.6
313.04993	4.2
314.05823	7.6
315.06656	7.4
327.06595	3.6
339.06586	1.2
354.05515	1.5
375.10242	3.9
391.09790	3.1
392.10184	0.9
401.08234	3.9
402.08670	1.3
403.09644	2.3
406.57263	1.2
417.07578	1.7
418.08450	1.9
419.09256	5.6
420.10065	2.7
429.07623	3.6
430.08514	4.1
431.09204	19.0
432.09601	3.2
433.06931	1.7
446.07999	3.0
447.08783	15.4
448.09464	30.3
449.10248	15.7
456.06573	1.3
457.07013	8.1
458.07758	6.6
459.08459	1.7
460.10269	1.2
474.07321	14.6
475.01129	1.6
475.08163	32.4
476.08624	8.8
491.07751	2.0
492.08426	24.0
493.09271	34.8
494.09488	4.1
507.84772	1.0
517.08832	2.2
534.09576	1.4
535.10486	1.4
611.15729	4.9
620.13501	4.0
621.14172	2.8
622.14740	1.9
623.15643	1.2
637.13544	31.5
638.13782	5.4
648.12836	4.1
649.13245	8.5
655.14618	10.3
656.14868	1.9
666.13837	28.1
667.14459	38.4
668.14862	8.0
679.14978	1.8
829.19855	100.0
830.20166	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	828.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28620	0.2
59.01244	0.2
60.32939	0.2
60.99176	0.3
61.41338	0.2
61.98700	100.0
62.51055	0.2
62.98390	0.2
69.47560	0.5
69.47967	0.7
71.01253	0.5
71.51247	0.2
75.00760	0.5
78.95782	0.5
87.00748	0.4
88.44516	0.1
88.98674	2.3
89.02339	0.2
103.66640	0.2
118.62999	0.2
125.02325	0.3
171.10147	0.3
173.52150	0.2
203.10268	0.2
209.11827	0.7
223.13431	0.3
253.09442	0.2
291.20020	0.3
301.00049	0.5
323.22339	0.3
343.44641	0.2
486.32834	0.2
497.28329	0.2
602.95874	0.2
798.28552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	5.1
61.98690	4.0
64.96308	1.0
67.01743	1.6
71.01241	4.0
71.37639	2.0
73.02837	1.3
73.57135	1.0
81.03317	2.8
83.04871	3.1
85.02821	28.4
87.00735	5.9
89.02357	1.1
93.03330	17.8
99.04407	2.2
109.02831	2.8
110.55918	1.1
111.04380	5.8
113.02261	1.6
125.02290	2.8
127.03880	5.6
137.02287	1.3
146.40234	1.1
147.92125	1.1
155.03380	1.7
168.30319	1.1
168.48969	1.3
171.02893	1.7
173.04457	3.7
175.03944	1.2
191.05537	91.9
192.05872	3.3
285.05490	2.5
295.38693	1.1
300.99838	1.5
301.05078	1.3
313.04947	7.7
314.05859	17.4
315.06610	18.5
316.07117	2.1
327.06683	5.5
338.05258	1.2
339.06604	2.1
354.05383	1.5
355.06027	3.0
367.06039	1.3
373.08475	3.1
374.09274	1.5
375.10159	7.6
376.11002	1.4
386.09433	1.6
389.08270	3.2
390.08969	3.4
391.09647	6.3
392.10471	3.2
400.07211	1.4
401.08148	7.7
402.08859	4.9
403.09821	5.3
405.07681	2.5
406.08447	2.6
417.07446	2.5
419.09351	12.1
420.09995	1.8
429.07379	6.0
430.08325	9.0
431.09171	34.8
432.09741	9.0
433.07101	3.6
434.07675	2.1
435.08542	3.4
445.06931	1.7
446.07828	5.4
447.08685	27.5
448.09457	44.9
449.10138	30.9
450.10822	4.8
456.06219	1.9
457.07184	17.8
458.07465	6.2
473.06540	4.3
474.07294	24.3
475.08145	86.5
476.08691	16.1
477.09549	2.6
491.07086	6.1
492.08417	52.1
493.09216	70.2
494.09790	11.0
519.77527	1.2
611.15900	5.9
620.13312	3.5
621.13068	1.5
622.14343	1.9
637.13501	59.8
638.13983	10.8
648.12201	3.0
649.13177	15.8
650.13647	2.2
655.14600	21.0
656.14886	4.3
666.13721	30.3
667.14343	84.8
668.14679	12.9
829.19781	100.0
830.04712	0.9
830.20044	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	827.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27031	3.6
69.27450	10.3
79.95609	28.3
96.25153	1.4
96.95884	100.0
110.97491	1.7
125.02348	3.9
137.02359	1.7
141.95683	3.6
177.01843	1.6
243.02811	1.5
297.12769	1.5
300.99811	1.9
439.10632	86.5
440.11017	10.9
613.50012	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	827.406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.8
59.01250	15.4
61.98693	2.3
69.03287	3.4
71.01250	14.2
71.04884	0.7
71.51753	0.4
71.95155	0.2
72.99189	1.2
73.02819	2.3
75.00735	0.4
78.95760	0.5
81.03318	0.5
83.01271	1.4
83.04895	0.5
85.02821	2.8
85.06454	0.4
87.00735	2.8
89.02313	10.8
93.03352	0.6
95.01242	1.1
95.04917	0.6
97.02831	1.7
99.00755	0.5
101.02319	10.0
109.02807	0.4
109.06472	0.6
110.39734	0.2
111.00749	0.4
111.04384	0.5
111.08051	0.3
113.02335	5.2
115.03880	0.3
119.03387	3.2
119.04169	0.4
121.02862	0.5
123.00685	0.2
123.08038	0.2
125.01453	0.3
125.02330	4.0
125.09605	0.5
129.01814	0.2
131.03403	0.5
133.04927	0.3
139.03900	0.5
141.01871	0.3
143.03372	1.8
145.02797	0.2
149.09619	0.6
152.00978	0.2
161.04427	2.5
161.09663	0.3
161.13298	0.4
167.03387	0.3
167.10693	3.2
168.10953	0.2
169.01228	0.2
171.80299	0.2
175.03947	0.6
177.12735	0.7
179.05524	4.0
179.10701	1.3
179.14331	3.6
180.14680	0.3
195.13834	10.9
196.14183	0.6
197.11807	0.2
205.12276	10.4
206.12540	0.7
209.11758	0.5
217.07214	0.2
221.06590	1.1
223.13341	100.0
224.13678	7.4
235.08183	2.8
237.14824	0.3
253.09270	0.6
259.08319	0.3
263.07718	0.5
265.14426	0.6
275.01993	0.3
287.07730	0.9
289.17917	0.3
305.08685	1.3
323.09735	0.6
327.53632	0.2
367.26608	0.3
379.12424	3.8
397.13480	26.4
398.13757	2.0
411.25226	0.8
415.14563	6.0
416.15067	0.4
427.19583	0.4
429.26392	1.8
441.21109	0.3
481.05396	0.4
603.26526	7.4
603.36340	0.4
604.26898	1.2
621.27643	12.1
622.27960	2.0
730.72400	0.2
757.36389	0.4
780.29425	0.3
783.38116	0.8
809.39490	2.1
810.40442	0.7
827.41187	1.7
828.41302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.6
61.98686	2.2
62.18454	0.9
65.96741	0.8
71.01234	2.4
71.50877	1.1
75.00739	1.2
85.02793	1.6
93.03338	2.2
93.43725	0.8
96.95913	1.4
107.04813	0.9
107.97903	1.0
109.02872	1.4
110.00024	1.3
116.92707	1.1
119.04911	1.6
120.00721	0.9
121.02818	1.3
125.02332	6.9
135.02861	1.4
135.04401	2.2
135.10680	0.9
137.02324	2.1
145.02872	2.1
149.02370	1.4
150.03149	1.1
151.03902	1.5
161.02408	6.9
163.03838	1.0
165.01814	1.2
165.05391	1.0
169.01291	2.3
170.95018	1.2
173.02357	1.2
173.04539	0.9
174.03142	2.5
175.03922	5.4
177.01811	1.1
179.03392	1.4
181.04922	0.9
189.01891	1.3
191.05550	4.6
195.06633	1.0
203.80424	1.0
209.08191	0.9
209.11739	8.5
227.03407	6.8
227.12788	1.5
229.01054	1.1
235.08116	1.4
255.02963	8.4
256.03558	2.7
284.03238	10.5
284.13968	0.9
285.03714	1.6
287.60327	1.0
289.07172	1.0
299.05594	39.6
300.06094	1.4
300.99887	2.2
301.04898	3.1
313.05365	1.2
314.04099	1.1
325.04932	1.3
329.04471	2.7
379.01257	19.6
380.01569	1.6
400.07523	1.2
401.08188	2.9
416.07050	1.5
417.07657	4.6
428.06662	2.6
429.07541	3.9
443.05548	1.5
444.06119	1.4
445.07144	7.6
446.07611	1.5
447.09061	2.5
455.05496	3.2
456.06366	2.2
457.07010	4.0
458.07904	1.4
472.05853	2.9
473.06638	26.8
474.07028	6.0
484.05826	8.3
485.06461	4.7
486.07343	5.3
487.07983	1.9
500.05157	4.8
501.06140	100.0
502.06830	94.4
503.07458	23.1
504.08447	2.5
647.12195	2.8
664.12219	84.5
665.01398	1.9
665.12860	50.5
666.13214	6.8
827.18280	97.0
828.18683	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	827.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.6
61.98686	2.2
62.18454	0.9
65.96741	0.8
71.01234	2.4
71.50877	1.1
75.00739	1.2
85.02793	1.6
93.03338	2.2
93.43725	0.8
96.95913	1.4
107.04813	0.9
107.97903	1.0
109.02872	1.4
110.00024	1.3
116.92707	1.1
119.04911	1.6
120.00721	0.9
121.02818	1.3
125.02332	6.9
135.02861	1.4
135.04401	2.2
135.10680	0.9
137.02324	2.1
145.02872	2.1
149.02370	1.4
150.03149	1.1
151.03902	1.5
161.02408	6.9
163.03838	1.0
165.01814	1.2
165.05391	1.0
169.01291	2.3
170.95018	1.2
173.02357	1.2
173.04539	0.9
174.03142	2.5
175.03922	5.4
177.01811	1.1
179.03392	1.4
181.04922	0.9
189.01891	1.3
191.05550	4.6
195.06633	1.0
203.80424	1.0
209.08191	0.9
209.11739	8.5
227.03407	6.8
227.12788	1.5
229.01054	1.1
235.08116	1.4
255.02963	8.4
256.03558	2.7
284.03238	10.5
284.13968	0.9
285.03714	1.6
287.60327	1.0
289.07172	1.0
299.05594	39.6
300.06094	1.4
300.99887	2.2
301.04898	3.1
313.05365	1.2
314.04099	1.1
325.04932	1.3
329.04471	2.7
379.01257	19.6
380.01569	1.6
400.07523	1.2
401.08188	2.9
416.07050	1.5
417.07657	4.6
428.06662	2.6
429.07541	3.9
443.05548	1.5
444.06119	1.4
445.07144	7.6
446.07611	1.5
447.09061	2.5
455.05496	3.2
456.06366	2.2
457.07010	4.0
458.07904	1.4
472.05853	2.9
473.06638	26.8
474.07028	6.0
484.05826	8.3
485.06461	4.7
486.07343	5.3
487.07983	1.9
500.05157	4.8
501.06140	100.0
502.06830	94.4
503.07458	23.1
504.08447	2.5
647.12195	2.8
664.12219	84.5
665.01398	1.9
665.12860	50.5
666.13214	6.8
827.18280	97.0
828.18683	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	827.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.4
61.98694	2.3
70.12706	3.7
71.01247	1.7
80.96379	1.0
83.04880	1.0
85.02827	4.0
87.00733	1.1
89.02283	1.1
93.03333	4.0
109.02829	1.8
110.72612	0.8
111.04374	1.5
121.02837	2.8
125.02336	2.3
133.02838	1.2
135.02914	1.1
135.04387	2.0
137.02309	1.9
149.05986	0.9
151.20299	0.8
155.03432	1.1
159.04390	0.9
161.02344	3.3
163.03870	0.9
169.01288	1.3
173.04443	2.7
174.03137	1.5
175.03891	5.4
177.01852	0.8
177.05449	1.2
179.03419	3.2
183.48085	0.9
186.84235	0.9
190.02608	0.8
191.05516	14.5
209.11742	5.4
227.13063	0.8
281.06882	1.0
300.99908	1.7
301.05008	1.9
364.21268	3.8
372.07584	1.0
373.08646	1.3
383.06879	1.1
384.07050	1.2
388.07639	1.0
389.08090	2.4
391.09814	1.4
399.06482	1.5
400.07379	2.0
401.08194	5.9
402.09064	2.3
403.09628	1.2
412.07086	1.4
416.06693	1.2
417.07712	4.8
418.08347	2.6
419.09015	2.5
428.06796	5.6
429.07629	13.2
430.08286	7.1
431.09036	1.0
433.06619	1.0
444.05853	1.9
445.07114	11.7
446.07922	17.7
447.08713	100.0
447.36942	1.0
448.09106	15.5
449.10117	0.8
472.05713	3.0
473.06656	18.4
474.06699	2.6
489.09750	2.3
491.07712	51.6
492.07971	6.6
501.06192	1.2
502.06989	2.5
533.08429	1.3
609.13391	1.1
647.12140	15.0
648.11932	2.5
651.22675	0.9
653.13336	4.6
654.13196	1.1
664.12061	2.1
665.13043	55.2
666.13367	13.5
707.13635	2.7
827.18451	6.3
828.19385	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	825.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.2
60.99176	17.5
61.01981	0.2
61.98690	0.6
71.01258	0.3
71.81986	0.2
73.47932	0.2
75.44519	0.3
76.27871	0.2
79.95606	0.2
80.96394	0.7
86.20757	0.3
87.00755	1.5
88.00291	1.4
88.98676	100.0
89.02310	10.0
89.99015	0.9
122.93210	0.2
128.96584	0.2
190.85333	0.2
223.13382	0.4
391.24301	0.3
578.74896	0.2
612.58209	0.2
729.69983	0.2
826.46698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.0
63.96107	2.5
69.03325	0.8
69.78776	3.5
71.01259	9.1
72.99202	1.1
73.02811	2.2
76.83607	0.8
78.98464	9.3
79.95608	17.1
80.96391	100.0
81.03326	1.0
85.02823	2.6
87.00742	4.6
94.97966	21.8
95.01304	0.9
96.95892	1.7
97.02834	2.2
98.19900	1.5
99.00710	0.8
101.02331	2.9
106.97971	5.1
122.97445	4.4
125.02329	5.4
127.03894	0.8
134.97464	7.0
136.99042	1.7
143.28535	0.7
148.99071	9.5
152.98535	10.7
158.70464	0.8
164.98544	18.1
164.99847	1.5
168.41902	0.8
206.99622	3.0
209.11804	2.1
225.00716	28.2
226.00885	1.3
250.73055	0.8
269.46866	0.7
283.04993	1.3
283.26422	1.6
541.19543	3.9
565.30493	1.8
825.46716	94.2
826.46954	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	825.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.6
71.50301	0.4
78.45033	0.4
79.95606	27.9
95.95103	0.8
96.95887	100.0
99.85484	0.4
109.02822	0.8
110.97469	1.6
116.07575	0.3
125.02307	1.0
137.02354	0.7
141.95671	3.3
142.54619	0.3
161.02385	0.5
167.00087	0.5
169.01318	0.8
175.03819	0.4
191.05580	0.7
206.01457	0.3
211.03946	0.3
301.00043	1.1
313.10791	0.8
359.14975	1.1
378.10138	0.4
424.08179	1.5
439.10635	99.5
440.10986	10.5
534.64319	0.4
552.57977	0.4
558.06702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.4
61.98690	1.4
68.02670	0.4
69.03313	0.9
71.01240	7.7
71.10265	0.4
72.99151	0.9
73.02812	1.7
75.36327	0.4
78.95760	0.5
80.96397	1.0
83.01244	1.1
83.04892	0.6
85.02822	4.1
87.00748	2.0
89.02318	5.4
95.01251	0.8
97.02825	1.1
97.06474	2.5
99.00734	0.5
101.02316	6.9
109.06437	0.5
111.08040	6.0
113.02332	4.1
113.09586	1.8
119.03385	1.3
123.08057	0.8
125.09598	5.6
127.07510	0.5
127.11153	0.8
137.09621	0.6
143.03397	1.0
152.99533	0.5
153.09140	0.6
153.12749	0.5
161.04462	3.3
164.98515	0.5
169.12257	2.7
171.10155	7.3
177.12683	0.7
179.05463	1.1
179.14354	1.0
181.12221	1.2
183.13808	1.6
187.09714	2.1
193.12170	1.0
195.12045	0.9
195.13824	15.4
196.14244	1.1
197.11746	30.2
198.12073	2.1
199.13322	1.9
209.11707	0.7
211.13341	12.3
212.13672	0.5
221.11736	1.6
223.13376	1.2
227.12823	1.3
229.14426	4.0
233.22672	0.5
235.08197	5.3
239.12878	0.6
247.20641	0.5
253.09247	36.0
254.09526	1.7
255.23309	2.1
263.20190	1.6
265.18088	1.2
273.18530	0.5
275.20126	1.1
277.21692	41.6
278.22018	2.8
291.19635	13.8
292.19943	1.7
293.21194	14.5
293.55991	0.4
294.21597	2.2
295.22751	100.0
296.23077	8.4
309.20682	43.9
310.21033	3.8
311.22244	9.8
312.22269	0.5
327.21738	34.0
328.22147	3.4
393.15158	0.5
430.30746	0.4
434.96579	0.4
465.08026	0.4
470.33618	0.5
475.35217	0.5
513.30353	0.5
527.29193	0.4
531.31732	0.6
545.29791	2.1
563.30823	0.9
587.43237	3.5
588.43689	0.7
594.41449	0.5
823.46899	7.3
824.47046	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	823.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
61.98702	100.0
63.99115	7.7
68.28720	2.0
71.01258	13.5
71.49904	3.1
72.99151	2.6
73.02808	3.3
78.95760	12.7
78.98462	3.1
79.95613	13.4
80.96393	67.0
83.04891	2.1
85.02806	4.7
87.00754	5.3
94.97952	14.3
97.02834	3.2
106.97997	2.2
113.02322	2.5
125.02300	8.7
134.97484	4.5
148.99059	5.0
152.99536	3.3
161.02264	3.4
161.04399	2.3
164.98534	8.7
171.10246	4.0
187.03970	4.1
197.11763	7.8
201.11189	3.9
206.99666	3.2
209.11795	35.0
210.12169	3.7
211.13338	4.2
221.16815	2.8
225.00703	19.8
227.12755	6.2
253.09233	7.5
275.01794	2.6
291.19443	3.9
300.99747	5.2
309.20755	17.4
310.20822	3.4
382.19141	2.8
445.20529	3.3
611.12946	3.6
823.41394	78.0
824.42078	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
58.85294	0.3
59.01249	4.2
59.69611	0.3
61.98699	9.6
63.17471	0.3
67.01755	0.5
69.03330	0.5
69.91158	1.1
71.01256	3.6
71.40707	0.3
71.41129	0.3
73.02811	0.8
78.95763	0.7
79.95609	0.4
80.96394	1.4
83.01259	0.5
83.04906	0.4
85.02815	0.9
87.00747	0.7
89.02298	2.9
95.04906	0.5
97.02815	0.4
97.06474	0.6
101.02313	3.0
111.08017	0.5
113.02325	2.1
113.09528	0.4
119.03391	1.1
121.10096	2.5
123.08012	0.5
125.02345	0.5
125.09583	3.2
131.03401	0.4
137.09505	0.4
141.12810	0.3
143.03343	0.4
147.08028	0.4
161.04475	1.4
167.10658	0.5
167.14288	0.8
171.10158	4.3
172.43420	0.3
175.52583	0.3
177.12813	0.3
179.05519	0.9
179.14290	0.9
181.12282	0.6
185.11740	3.7
188.90826	0.3
195.13831	8.7
195.93214	0.4
196.14304	0.9
197.11761	1.1
205.12254	0.6
205.15979	0.4
205.56239	0.3
209.11745	0.6
211.13329	62.2
212.13712	4.0
223.13310	5.9
224.13570	0.6
225.00714	0.4
228.13696	0.5
231.21170	0.4
235.08180	2.3
253.09251	20.3
254.09547	0.9
256.13092	1.1
265.21698	0.5
273.18576	0.9
275.20139	6.9
276.20245	0.6
289.18216	0.5
291.19647	41.7
292.19998	4.0
293.21204	100.0
294.21542	9.4
309.20682	2.6
310.21030	0.3
447.22260	1.1
487.34290	0.7
492.22162	0.4
509.27640	0.6
513.82251	0.4
527.28656	3.3
529.30188	2.0
530.30133	0.3
567.40491	0.4
593.98102	0.4
731.36011	0.5
803.49249	1.2
804.50690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
58.00473	0.4
59.00958	0.4
59.01249	7.8
61.98688	0.8
67.01741	0.4
69.03320	0.9
70.88760	0.8
71.01253	6.4
72.99183	0.6
73.02818	1.4
79.95607	0.4
80.96374	2.0
81.03330	0.5
83.01242	0.7
83.04893	0.7
85.02839	1.6
87.00742	1.3
88.98659	0.4
89.02316	4.0
93.03320	0.4
94.97991	0.6
95.04881	0.9
97.02833	0.4
97.06489	0.5
99.04353	0.3
101.02327	5.1
109.06480	0.4
111.00718	0.3
111.08038	9.1
113.02335	2.7
113.09611	0.8
119.03394	1.0
121.06510	0.4
121.10175	0.3
123.08070	0.5
127.07599	0.3
131.03371	0.4
137.09625	0.9
143.03455	0.7
145.05006	0.7
149.09615	0.7
161.04453	1.9
163.11261	0.5
167.10667	2.1
171.10202	0.5
177.12796	2.6
179.05508	1.3
179.10748	1.9
179.14316	0.9
185.11732	0.6
195.13843	15.8
196.14301	1.2
197.11716	0.9
203.14349	0.4
205.12253	0.7
205.15891	0.7
209.11769	1.3
211.13370	0.7
223.13353	7.8
224.13925	0.7
225.00716	0.6
225.14777	0.5
228.13683	0.8
231.21005	0.6
235.08211	2.0
239.12917	0.5
245.19141	0.6
247.20590	2.0
253.09261	19.8
254.09634	0.8
255.23375	0.3
256.13055	1.5
265.21707	0.6
273.18588	1.2
275.20163	8.7
276.20276	0.7
277.21735	1.8
289.18011	1.4
291.19666	94.8
292.19986	8.3
293.21216	100.0
294.21542	8.7
295.22699	2.6
307.19003	1.7
309.20779	1.6
325.20340	0.4
374.09790	0.3
397.13205	0.4
492.22028	0.5
527.28735	1.3
529.30719	0.4
821.43640	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
58.00479	0.8
59.01243	6.4
59.55748	0.3
61.98696	2.4
69.03336	0.7
69.34946	0.3
70.24780	1.2
71.01250	5.9
73.02818	0.9
80.96399	0.5
83.01290	0.4
83.04904	0.7
85.02819	1.5
87.00748	1.0
89.02326	3.8
91.03868	0.4
95.01257	0.6
95.04948	0.4
97.02788	0.4
97.06464	0.4
97.72427	0.3
101.02322	5.5
108.08353	0.4
108.65077	0.3
111.08032	9.1
112.08371	0.4
113.02316	3.0
114.06700	0.3
119.03411	1.4
119.05799	0.3
123.08183	0.4
127.07524	0.8
151.11179	0.7
153.09113	0.3
153.12733	0.8
161.04469	2.7
161.72214	0.3
165.12700	0.5
167.10638	0.8
169.06793	0.3
169.12241	4.0
171.10179	0.6
174.58437	0.3
179.05481	0.8
179.10750	0.6
179.14331	0.6
181.12268	1.5
183.13821	0.8
193.12289	0.6
195.13841	8.5
196.14365	0.9
197.11761	43.0
198.12083	2.6
199.13364	2.0
205.12280	0.6
205.15996	0.4
211.13353	7.2
212.13699	0.6
223.13358	6.2
225.33701	0.4
227.12883	0.5
228.13559	0.9
231.20869	0.4
235.08186	2.4
247.20566	0.4
253.09254	30.0
254.09602	1.4
256.13150	1.3
263.20102	3.5
265.17984	0.7
265.21729	0.6
273.18680	0.8
275.20142	5.3
276.20502	0.6
289.17947	0.4
291.19650	14.2
292.19955	1.7
293.21201	100.0
294.21545	10.4
309.20688	60.2
310.21042	6.4
404.10052	0.3
433.21164	0.4
492.22055	0.6
527.28571	0.3
529.30267	0.9
545.29858	1.8
548.46399	0.3
585.41705	2.3
586.42212	0.8
666.96252	0.4
847.65588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
58.00480	0.5
59.01245	6.3
61.98708	1.7
67.70183	0.3
69.03327	1.1
70.37347	0.7
70.37699	0.9
71.01254	5.9
72.99170	0.4
73.02820	1.4
81.48955	0.3
83.01266	0.4
85.02813	2.2
87.00757	0.9
89.02315	3.6
93.06971	0.4
95.01258	0.6
95.04922	0.3
97.02873	0.4
97.06480	0.5
97.11819	0.4
99.00800	0.8
101.02317	4.4
101.71949	0.3
109.06499	0.5
111.08044	8.5
112.08372	0.6
113.02343	2.3
113.09611	0.3
119.03408	1.2
125.09637	0.3
127.07538	0.8
141.09096	0.4
143.03427	0.5
145.04968	0.4
151.11179	0.6
153.09132	0.6
153.12740	1.0
161.04491	2.8
167.10646	0.7
169.12251	3.8
179.05536	0.5
179.10648	0.5
179.14372	0.9
181.12247	1.0
183.13797	0.7
195.13846	9.2
196.14397	1.0
197.11760	42.6
198.12102	2.2
199.13330	2.4
205.12283	0.5
205.15907	0.4
211.13339	6.8
223.13332	6.0
224.13757	0.4
227.12857	1.0
228.13661	0.4
231.20976	0.4
235.08168	2.6
247.20761	0.4
253.09261	27.4
254.09654	0.8
256.13174	1.0
263.20169	1.8
265.18100	0.9
265.21613	0.6
273.18668	0.5
275.20117	5.5
276.20425	0.5
291.19662	13.3
292.20050	1.4
293.21213	100.0
294.21536	9.0
309.20700	46.4
310.21048	4.3
392.65103	0.3
454.43604	0.3
492.21652	0.5
527.28735	0.6
529.30200	1.0
531.08063	0.3
545.29688	1.2
585.41528	2.0
586.42029	0.5
706.58514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03280	1.2
58.00436	0.5
59.01246	6.0
61.98701	2.2
63.59861	0.3
69.03284	1.1
70.88170	0.4
70.88519	1.0
71.01250	4.9
71.04827	0.4
73.02773	1.0
73.03152	0.3
78.95763	0.3
80.36616	0.3
80.96344	0.8
83.01228	0.4
83.04853	0.5
85.02778	1.4
85.35274	0.4
87.00720	0.8
89.02307	3.1
95.01192	0.4
95.04882	0.6
97.02834	2.3
97.06429	0.4
101.02322	4.1
109.06434	0.4
111.08041	3.9
112.08324	0.3
113.02322	2.4
113.09534	0.4
119.03339	0.8
125.02317	0.4
125.09572	0.6
127.07497	0.7
137.09578	0.9
143.03284	0.7
149.09547	0.4
161.04460	2.0
163.11101	0.6
165.12721	1.1
167.10632	0.7
169.12189	2.0
171.10155	2.6
179.05487	1.1
179.10640	0.5
179.14284	1.5
181.12199	1.5
183.13823	0.8
193.12218	0.4
195.12059	0.7
195.13828	10.1
196.14276	1.0
197.11749	17.5
198.12042	1.1
199.13281	0.9
205.12204	0.7
205.15877	0.5
209.11729	0.6
211.13356	4.6
212.13699	0.3
221.15236	0.5
223.13336	6.6
227.12776	0.8
228.13585	1.1
231.21181	0.4
235.08104	2.8
239.12859	0.5
247.20596	1.2
253.09250	27.4
254.09604	0.9
256.13058	1.1
263.20065	1.9
265.18292	0.3
268.48737	0.4
273.18503	1.1
275.20160	5.9
276.20419	0.5
291.19662	18.5
292.20007	1.8
293.21207	100.0
294.21530	9.7
309.20694	59.9
310.21045	5.7
483.81528	0.3
492.21902	0.7
529.30371	0.9
530.30530	0.4
545.29779	1.0
585.41467	2.6
586.41846	0.7
609.57391	0.4
821.41431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01239	2.3
61.98701	81.2
63.96098	1.7
65.38509	1.1
69.03288	1.1
71.01255	13.3
73.02792	2.0
78.13113	0.9
78.91744	3.2
78.95757	6.4
78.98455	8.0
79.95604	41.6
80.91539	1.5
80.96387	100.0
82.95289	2.5
83.04877	1.0
85.02803	4.0
87.00712	2.7
89.96967	0.9
94.97401	1.2
94.97960	21.8
96.95849	3.1
97.02828	2.3
101.02301	3.8
106.97940	4.1
113.02325	1.2
115.03886	1.0
122.97457	5.7
125.02312	5.6
127.03925	1.6
134.97482	7.7
136.99017	2.0
148.99049	11.5
152.98520	10.9
157.88158	1.1
164.98541	20.5
171.67047	1.1
172.90459	1.1
188.98674	1.3
206.99707	5.5
207.10088	1.0
209.11830	2.3
223.13382	1.6
225.00688	42.1
225.11343	1.7
226.00865	2.0
241.00305	1.4
283.04840	1.3
293.21140	3.0
300.99771	1.8
330.23062	1.1
341.05362	1.3
355.07193	1.2
411.12888	1.4
411.83047	1.0
471.34729	1.5
505.17642	1.5
509.16910	6.2
516.03253	1.1
659.09479	2.3
660.10431	1.6
705.31055	3.3
733.31018	79.2
734.31335	12.3
775.39215	2.0
803.38879	12.3
804.38721	3.2
821.16388	4.6
821.39697	36.9
822.15173	1.7
822.39948	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	821.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.6
58.00473	1.4
59.01250	18.8
61.98700	11.2
62.92923	0.6
69.03317	1.7
69.86549	0.6
71.01250	15.9
72.99165	1.5
73.02812	3.0
75.00745	0.7
80.02550	1.2
80.96406	0.6
81.03326	2.4
82.82459	0.6
83.01249	2.3
83.04903	4.9
84.02043	1.0
85.02809	3.6
87.00763	3.1
87.01281	0.6
88.98610	0.7
89.02317	11.8
93.03345	1.0
95.01292	1.2
95.04888	1.7
96.95893	2.4
97.02821	2.4
97.06478	3.7
99.00773	1.2
99.55128	0.6
101.02324	10.6
104.84134	0.7
109.02823	1.4
111.00761	1.0
113.02299	5.5
114.93305	4.3
115.00232	1.0
116.06259	0.6
116.92710	1.5
119.03389	2.6
119.04919	0.8
121.02869	1.0
123.00747	0.9
123.04446	0.8
125.02351	7.1
125.09608	0.7
128.63945	0.6
129.01840	0.6
133.02823	0.8
135.02840	0.8
135.04379	1.1
137.02312	1.4
143.03410	1.2
147.02870	0.7
151.00288	1.1
151.11194	11.6
154.51810	0.6
161.02374	0.9
161.04454	1.5
163.11153	3.6
165.01848	1.4
165.05464	0.7
165.12759	2.1
169.01350	2.8
169.12248	62.7
170.12650	3.3
174.01530	0.7
175.03918	2.0
177.01749	0.7
178.99896	0.7
179.03401	0.6
179.05495	1.3
191.10768	0.9
192.84256	0.6
195.10248	1.1
203.03481	0.9
209.11763	48.8
210.12117	3.6
211.02341	0.6
211.13391	0.9
213.11244	11.1
221.06659	2.2
227.12822	3.9
235.08107	1.7
253.09297	1.2
271.02441	0.9
275.01917	1.7
289.07047	1.0
299.98740	0.7
300.02740	1.7
300.99847	3.7
301.03394	1.5
397.13406	4.4
415.14444	1.4
465.07111	0.9
593.24701	1.4
611.25861	3.2
803.37146	2.7
821.38116	100.0
822.38483	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	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.1
60.55718	0.1
61.98700	100.0
62.98400	0.2
63.99138	0.1
68.07625	0.1
70.07174	0.4
71.01257	0.4
76.82619	0.1
78.25125	0.1
78.95775	0.6
78.98458	0.1
79.95586	0.2
80.91592	0.2
80.96385	0.9
82.95287	0.2
89.02272	0.1
96.95881	0.3
97.77454	0.1
98.20451	0.1
125.02385	0.1
152.99542	0.2
164.98547	0.2
169.01480	0.1
171.10187	0.1
197.11812	0.1
209.11757	0.2
223.13383	0.1
225.00671	0.2
277.21704	0.2
287.52484	0.1
291.19791	0.2
293.21432	0.2
300.99942	0.3
308.57376	0.1
439.52637	0.1
820.53613	0.2
821.40985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.1
61.98700	100.0
62.98404	0.2
62.99134	0.1
63.99127	0.1
78.95789	0.4
79.95607	0.2
80.96397	0.4
94.97980	0.1
109.06517	0.1
117.93369	0.1
152.98445	0.1
152.99547	0.2
161.63258	0.1
164.98508	0.1
171.10219	0.2
181.30490	0.1
187.67160	0.1
207.10271	0.1
209.11838	0.3
225.00769	0.1
227.13014	0.1
293.21295	0.2
295.22754	0.1
309.20935	0.2
318.69189	0.1
329.23389	0.2
333.56424	0.1
603.11774	0.2
820.51886	0.1
821.39874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98412	0.2
63.99139	0.3
70.25978	0.1
70.26318	0.3
71.01276	0.2
72.15295	0.1
78.95786	0.7
79.95599	0.6
80.96397	1.1
94.98014	0.2
96.95902	0.4
106.98053	0.1
125.02361	0.1
132.35786	0.1
152.98451	0.1
152.99553	0.2
164.98642	0.2
171.10225	0.3
181.35730	0.1
197.11842	0.2
209.11845	0.2
211.13411	0.2
225.00761	0.2
229.14508	0.1
258.89249	0.1
264.48410	0.1
293.21252	0.2
311.22324	0.2
329.23218	0.2
456.02438	0.1
617.03033	0.1
820.39294	0.4
820.52301	0.5
821.39264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.5
59.01243	4.2
61.98700	12.8
68.29155	0.2
69.03321	0.5
71.01249	3.9
71.04887	1.5
72.99172	0.4
73.02814	0.8
78.91713	0.3
80.02547	0.8
80.96403	0.4
81.03317	1.0
82.95267	0.9
83.04873	0.7
85.02824	1.1
87.00735	0.6
89.02316	2.7
91.65386	0.3
93.03285	0.3
95.01219	0.3
95.04895	0.8
97.02784	0.3
97.06453	0.5
98.03618	0.3
98.19762	0.4
101.02325	4.1
102.63626	0.3
106.04103	0.4
109.06467	7.0
111.04405	2.5
111.08038	1.4
113.02345	1.9
113.09610	0.3
119.03374	0.8
120.05701	0.3
121.06470	0.3
121.10132	0.3
123.08031	1.1
127.07504	0.8
131.03279	0.2
135.08032	0.6
137.09566	0.3
139.25360	0.3
141.09160	0.3
143.10658	0.9
145.05013	0.4
145.06458	1.8
149.09593	0.6
151.11169	0.6
155.62944	0.3
161.04492	1.7
163.11217	0.5
167.10660	1.6
171.10042	0.4
177.12724	0.7
179.05504	0.4
179.10704	1.0
179.14293	0.7
181.12218	0.6
191.14348	0.5
195.13832	8.7
196.14323	0.9
205.12238	0.8
205.15909	0.3
215.14162	0.3
223.13336	4.2
225.14853	0.4
227.17906	0.3
228.13643	0.4
235.08195	2.7
235.13333	0.3
245.19121	3.7
249.22153	0.4
251.16603	0.5
253.09264	16.5
254.09680	0.5
256.13043	0.8
265.21777	0.3
271.17056	1.1
273.14981	0.5
275.20120	4.0
276.20416	0.4
287.16489	1.5
288.16623	0.3
289.18082	100.0
290.18423	8.9
291.19690	0.5
293.21207	78.8
294.21530	6.5
294.24780	0.4
307.19128	4.6
311.16248	0.3
391.64087	0.3
407.30930	0.3
476.00082	0.3
492.21799	0.5
525.27094	3.4
526.27222	0.7
529.30267	0.8
797.26874	0.3
819.39307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
58.00463	1.1
59.01248	18.5
61.98695	3.5
63.89693	0.4
69.03328	1.7
71.01252	17.6
71.04884	0.5
71.07780	0.6
72.99164	2.0
73.02812	2.6
75.00742	0.4
78.95748	0.4
79.95616	0.9
80.02540	1.5
80.96399	0.7
81.03332	1.9
83.01260	1.6
83.04887	5.4
84.02033	1.1
85.02824	4.1
85.94685	0.3
87.00749	4.0
88.98680	0.3
89.02316	12.7
93.03349	0.5
95.01257	1.3
95.04897	0.7
96.95884	1.3
97.02818	2.6
97.06465	0.4
99.00754	1.1
101.02320	12.8
107.04914	0.5
108.02019	0.4
109.02806	0.5
109.06488	0.6
111.04379	0.5
113.02328	7.4
115.03902	0.4
119.03396	3.6
121.02814	0.5
125.02338	5.7
125.05975	0.7
125.09618	0.4
131.03375	0.7
135.08029	0.4
137.02350	0.5
139.00282	0.5
139.03893	0.8
141.01846	0.5
143.03360	2.2
149.04469	0.3
161.04446	2.8
163.04001	0.3
163.11195	4.8
165.12712	2.7
167.03441	0.6
167.10660	0.5
167.14339	0.5
171.10175	0.9
174.03151	0.4
175.03915	0.8
179.05531	3.8
181.12282	0.9
183.13828	7.3
184.14114	0.4
189.14034	0.3
191.10725	0.8
193.12247	1.6
199.06070	0.5
209.11766	100.0
210.12102	6.5
211.13330	91.2
212.13676	5.8
215.12367	0.3
217.07056	0.5
221.06564	1.5
227.12833	14.8
228.13274	0.7
233.15459	0.4
235.08195	5.0
247.16394	0.3
249.14851	0.9
251.12814	0.5
253.09248	1.1
259.08072	0.6
263.07669	0.7
287.07736	1.6
300.99875	0.6
305.08731	1.6
315.01627	0.3
323.09760	1.0
379.12408	5.9
397.13474	37.2
398.13797	3.7
403.24692	0.4
415.14569	10.6
416.14969	0.7
423.08475	0.5
449.10251	0.4
450.10596	0.4
475.29449	0.4
495.08902	0.3
551.30359	0.4
567.12787	0.4
589.24811	0.6
591.26440	2.1
607.26007	1.3
609.27502	3.0
610.28015	0.6
654.48883	0.4
656.14386	0.4
657.15961	0.9
729.17554	0.4
783.37213	0.6
801.39069	0.5
819.21112	0.7
819.39612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
58.04475	0.5
59.01239	2.8
61.98700	63.1
62.98386	1.0
63.96099	1.8
63.99121	1.4
69.03314	1.1
71.01250	12.8
72.39757	0.5
72.99168	0.9
73.02809	2.9
78.95779	2.0
78.98458	7.0
79.95600	16.9
80.34628	0.6
80.96386	88.4
81.03320	1.2
83.01254	0.9
83.04885	1.0
85.02808	3.7
87.00746	4.9
89.02327	1.4
94.97956	20.3
96.95899	1.4
97.02844	2.1
99.00763	1.2
99.92472	0.7
100.06561	0.6
101.02315	5.1
104.62405	0.6
106.97974	4.2
113.02316	1.6
116.92732	7.5
119.03358	0.7
122.97446	4.3
125.02345	6.5
127.03857	1.1
134.97479	6.6
135.50871	0.6
136.99020	2.0
139.00253	1.2
148.99051	8.1
152.98532	7.2
161.04404	0.9
163.11066	0.8
164.98543	17.0
169.01346	1.4
171.10138	0.8
175.03918	1.1
188.98792	0.6
197.11685	1.6
206.99591	3.5
209.11768	10.2
210.12103	0.8
211.13326	7.3
212.13689	1.0
225.00684	27.6
225.11220	0.6
226.00902	1.4
227.12811	1.2
253.85036	0.6
255.10123	1.2
275.02106	1.0
283.04755	1.2
300.99921	2.9
315.01343	0.6
355.16373	0.6
397.13379	2.2
415.14328	0.7
451.02115	0.8
451.52374	0.8
495.27551	0.8
509.16830	2.3
591.25232	1.1
631.32642	0.9
819.38354	100.0
820.38617	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	819.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.3
67.19967	1.8
71.01256	21.5
71.50606	2.1
72.99172	2.0
73.02794	4.7
78.95787	1.8
80.04942	4.0
81.03327	2.0
83.01256	6.0
85.02845	10.0
87.00745	4.9
89.02338	6.5
93.03336	4.6
95.01260	2.1
96.95874	3.4
99.00738	3.1
101.02322	9.7
106.06530	7.6
108.02041	2.3
108.04444	3.1
109.02841	4.6
111.00794	2.3
113.02325	8.2
116.92756	2.8
119.03380	3.0
119.04891	2.0
122.06018	7.2
123.00728	2.9
123.04436	2.6
124.03934	7.0
125.02332	16.3
127.75865	1.8
132.04465	5.9
134.03630	5.9
134.06012	40.7
135.02902	2.7
135.04422	4.8
136.03952	6.4
137.02312	11.2
139.00195	2.3
145.02750	2.0
149.05968	2.3
150.05566	2.9
151.00215	2.4
151.03911	2.0
152.07065	8.2
158.02240	1.9
159.04396	2.9
160.03937	4.2
161.02336	4.2
163.03940	2.7
165.01817	4.5
169.01353	7.6
170.57257	1.7
173.02330	2.3
173.04471	3.1
174.03122	4.9
174.69102	2.1
175.03831	4.5
177.01884	6.8
179.03452	3.2
189.01874	2.3
190.02615	1.9
190.05042	4.7
191.05499	5.1
192.06642	2.4
201.10300	3.9
211.12874	1.7
225.10362	3.4
227.11955	2.8
229.09795	5.4
231.02934	1.9
237.10330	2.9
241.09875	2.5
245.08200	2.1
247.08606	2.0
249.10255	3.4
255.11304	2.4
265.09897	3.6
275.02057	3.5
277.09796	5.0
279.11478	3.2
281.09274	2.4
283.11093	2.2
289.07141	6.7
293.04477	2.1
293.09277	2.5
300.99945	7.0
301.03326	2.9
301.12088	2.8
305.09329	3.6
319.13120	3.8
337.11923	3.4
341.06500	3.4
343.13263	2.8
350.14996	1.9
356.14386	2.5
361.13983	2.8
374.14929	10.3
389.78033	2.1
390.14505	2.4
416.16266	2.4
418.14072	4.1
432.15692	12.1
433.15829	2.7
444.15887	4.4
445.09125	6.5
445.15317	2.3
446.17224	4.1
460.14682	4.0
465.11880	4.3
472.15210	4.0
483.13016	6.4
607.21729	3.0
728.26233	2.4
745.27466	5.3
746.28162	5.1
759.29327	4.3
769.28290	9.7
787.28302	95.7
788.28314	25.6
801.29761	24.7
802.30414	4.5
819.31085	100.0
820.31293	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	819.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73914	0.3
65.00200	3.3
67.09470	0.3
69.45109	2.7
82.36064	0.4
83.07193	0.3
89.00185	0.8
91.01779	1.1
93.03329	1.5
97.02830	2.8
108.02052	0.5
109.02816	1.6
121.02845	12.2
125.02324	0.6
139.03854	0.4
149.02357	1.1
149.99475	1.4
151.00281	0.8
163.00294	0.8
165.01837	35.7
166.02177	1.4
169.01292	0.4
183.02983	0.5
189.01895	0.4
192.00557	0.5
193.01357	5.8
207.02858	0.5
216.04196	0.4
217.01396	0.5
219.03044	0.3
226.02638	0.8
227.03401	0.8
228.04181	0.8
243.02925	1.5
244.03703	0.6
254.02115	1.1
255.02982	1.2
256.03723	0.4
259.05939	0.6
271.02478	5.4
272.03113	1.1
287.05533	2.1
299.99496	0.7
300.02734	8.3
300.99969	0.8
301.03210	0.7
315.05090	100.0
316.05414	6.8
334.08054	0.3
341.06567	0.6
395.00742	24.0
396.00952	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	818.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96983	0.1
59.01232	0.2
61.98701	100.0
62.98380	0.1
63.99117	0.2
64.30492	0.1
71.01244	0.1
73.33066	0.1
78.91766	0.1
78.95768	0.9
78.96155	0.1
80.96385	0.1
89.02355	0.1
99.08082	0.1
125.09629	0.2
125.69753	0.1
135.08076	0.2
140.01115	0.1
159.04472	0.1
171.10233	0.4
185.11685	0.1
193.12303	0.2
195.13835	0.3
209.11841	0.4
211.13408	0.3
221.24294	0.1
223.13324	0.2
225.15007	0.2
229.41869	0.1
240.16917	0.1
253.09335	0.3
289.18002	0.6
290.18298	0.2
291.19717	0.5
292.20081	0.3
293.21228	1.0
295.22736	0.6
307.19370	0.3
309.20792	0.1
328.45486	0.1
332.63696	0.1
343.24997	0.4
407.52750	0.1
801.48462	0.2
818.53253	0.7
819.51837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98702	100.0
71.01254	0.7
72.19865	0.2
78.95789	1.1
80.96392	0.5
91.90937	0.2
95.04922	0.3
97.06418	0.2
101.02308	0.3
109.06456	0.3
111.08044	0.2
152.99577	0.2
157.88954	0.2
163.11209	0.3
171.10274	0.3
191.14392	0.2
195.13815	0.4
207.10234	0.2
209.11804	1.0
211.13428	0.2
223.13411	0.4
229.33717	0.2
229.37360	0.2
245.19072	0.5
253.09367	1.3
275.20218	0.3
289.18127	2.8
291.19675	0.5
293.21179	4.4
303.18597	0.2
307.19086	2.7
309.20743	0.4
314.20789	0.2
372.01294	0.2
575.32501	0.3
605.37952	0.3
819.42584	0.7
846.45837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34423	0.1
61.98699	100.0
62.98407	0.2
64.20650	0.1
71.01273	0.1
76.25050	0.1
78.95800	0.1
79.95595	0.1
80.43234	0.1
80.96404	0.1
83.46676	0.1
98.20592	0.2
148.80974	0.1
152.99681	0.1
173.20775	0.1
209.11887	0.2
229.46045	0.1
257.64484	0.1
291.19922	0.1
293.21381	0.1
474.41254	0.1
477.02719	0.1
506.46030	0.1
513.68323	0.1
622.86041	0.1
818.50183	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	818.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.5
61.98702	100.0
62.98409	0.1
70.99330	0.1
70.99658	0.1
71.01266	0.8
73.02833	0.1
78.95766	0.3
78.98480	0.3
79.95604	0.7
80.96388	3.4
85.02836	0.3
87.00748	0.3
88.98758	0.1
89.02335	0.1
94.97957	0.7
96.95893	0.1
97.02850	0.2
99.00681	0.1
101.02329	0.2
113.02328	0.2
113.28442	0.1
122.97492	0.2
123.04411	0.1
125.02366	0.4
134.97484	0.3
148.99075	0.2
152.98564	0.3
163.11349	0.1
164.98541	0.6
167.03537	0.1
171.10252	0.2
175.03902	0.1
191.11649	0.1
197.11754	0.1
206.99518	0.1
207.10231	0.2
209.11778	0.9
210.12212	0.1
211.13342	0.8
225.00682	1.1
225.11299	0.2
227.12895	0.2
291.19843	0.1
300.99969	0.2
389.75189	0.1
397.13480	0.1
800.38348	0.2
801.41461	0.1
818.37939	0.3
818.51056	0.2
819.38324	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	818.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69790	0.1
61.98701	100.0
62.98398	0.1
62.99131	0.1
69.30530	0.6
80.96397	0.1
98.20618	0.1
127.81777	0.1
212.35869	0.1
267.66129	0.1
267.68845	0.1
712.59772	0.1
818.49738	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	818.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98392	0.2
69.42416	0.3
69.42843	0.2
78.95784	0.2
79.95588	0.1
80.96407	0.2
101.89180	0.1
135.59781	0.1
171.10237	0.1
209.11885	0.2
211.13484	0.1
341.77219	0.1
350.93771	0.1
619.38049	0.1
818.49249	0.2
819.39551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.8
59.01247	7.1
61.98701	7.9
62.96016	0.4
69.03288	0.9
70.03159	0.4
71.01253	6.2
71.04891	8.4
72.05230	0.4
72.99141	0.6
73.02777	1.3
78.95731	1.6
80.96375	1.0
81.03303	1.4
83.01199	1.0
83.04860	0.7
85.02796	1.2
87.00717	1.2
89.02319	4.6
93.03310	0.7
95.01193	0.6
95.04352	0.5
95.04895	6.3
99.00743	0.6
101.02321	5.6
105.86069	0.5
106.04111	0.5
107.04885	1.1
108.27954	0.4
109.02806	0.9
109.05814	0.5
109.06464	4.8
111.08006	0.5
113.02349	2.9
119.03378	1.0
119.04929	0.4
121.06468	2.6
121.10091	0.5
122.03579	1.8
123.08025	0.6
125.02229	0.5
127.07524	0.9
135.08046	1.1
141.03474	0.4
141.09071	0.7
147.04393	0.5
147.08041	2.4
149.05943	1.0
149.09602	1.0
150.06723	1.1
161.04436	1.8
161.05998	1.1
161.09546	0.6
164.08327	0.6
165.09103	5.2
167.10562	0.5
168.05330	0.4
171.10185	0.5
175.07523	0.6
175.11234	0.4
177.12595	0.5
179.05428	0.8
179.14371	1.1
189.11375	0.6
189.12787	6.1
190.13115	0.4
195.13835	7.4
196.14420	0.7
205.12257	0.6
205.15852	2.8
209.11809	0.5
211.13310	1.1
223.13341	6.0
224.13791	0.6
228.13602	1.0
231.13837	1.7
233.11746	2.9
235.08200	2.2
236.08661	0.5
241.01247	0.6
243.17491	5.0
245.15462	0.5
249.14949	5.4
253.09261	18.9
254.09543	1.2
256.13184	1.3
261.18597	0.7
265.21881	0.5
269.15475	1.3
275.20181	4.6
287.16522	42.4
288.16864	4.6
289.18057	2.4
291.19644	1.8
293.21225	100.0
294.21561	8.9
305.17584	87.9
306.17926	8.0
307.19125	1.5
314.83704	0.5
345.28305	0.5
446.57556	0.4
492.22226	0.5
523.25812	1.5
541.26740	3.1
581.38788	0.9
608.72015	0.5
791.38544	0.5
799.42206	0.8
817.49524	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	817.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
58.00461	0.8
59.01250	11.2
60.01572	0.2
61.98699	6.3
67.01769	0.2
69.03317	1.0
71.01249	11.0
71.04900	0.3
71.50240	0.2
72.99181	1.3
73.02808	1.8
75.00747	0.4
78.54750	0.2
78.95761	0.4
79.95613	0.4
80.02544	0.8
80.77367	0.2
80.96391	2.1
81.03332	1.3
83.01256	1.3
83.04890	3.0
84.02042	0.7
85.02814	2.7
87.00747	2.9
88.98692	0.5
89.02311	8.2
93.03342	0.3
94.97942	0.3
95.01258	0.8
95.04901	0.5
96.95905	0.2
97.02828	1.8
97.06445	0.3
99.00755	0.7
99.04385	0.2
101.02317	7.9
109.02800	0.4
109.06461	0.3
111.00741	0.2
111.04419	0.4
111.08066	0.2
113.02322	3.9
115.03821	0.2
119.03385	2.1
121.02877	0.5
123.04410	0.4
125.02328	4.5
125.05968	0.3
125.09603	0.4
127.03925	0.2
129.01799	0.3
131.03401	0.4
133.02823	0.2
133.04961	0.2
135.08038	0.6
139.03911	0.6
143.03429	1.5
151.03918	0.2
161.04457	2.3
163.11214	2.7
164.98537	0.3
165.12769	1.5
167.03383	0.3
169.01308	0.4
175.03952	0.4
179.05527	2.5
181.12254	0.6
191.10724	0.9
197.11778	1.1
199.05977	0.4
207.10211	0.7
209.11761	100.0
209.92778	0.2
210.12094	5.2
210.13995	0.4
211.13353	0.8
217.07120	0.6
221.06627	0.7
223.13333	0.4
225.00717	0.7
225.11253	0.4
227.12827	9.1
228.13110	0.5
235.08183	3.7
245.06598	0.3
251.12761	0.4
253.09288	0.8
259.08194	0.3
263.07739	0.4
287.07718	1.1
289.07132	0.2
300.99951	0.5
305.08832	1.1
323.09708	0.7
379.12469	4.5
380.12762	0.5
397.13461	25.4
398.13788	1.3
415.14511	5.3
416.14780	0.5
589.25189	0.4
607.26282	1.2
701.34125	0.3
744.41058	0.2
799.38379	0.4
816.50037	0.3
817.37244	0.7
817.50580	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	816.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.3
61.47198	0.1
61.98700	100.0
62.98405	0.2
70.98876	0.3
71.01254	0.5
72.96214	0.1
73.02838	0.2
75.00729	0.3
78.91775	0.2
78.95778	0.4
80.91586	0.2
80.96393	0.3
81.01554	0.1
85.02839	0.2
93.80730	0.1
101.02309	0.2
125.02349	0.1
194.09277	0.1
195.13832	0.1
225.00587	0.1
254.93872	0.1
287.16455	0.2
289.18115	0.2
291.19696	0.4
293.21246	0.6
300.99875	0.2
305.17664	0.3
756.48193	0.7
799.49011	0.1
816.49219	0.4
817.49866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
58.00453	0.4
59.01247	12.0
61.98379	0.6
61.98698	9.9
69.03317	0.9
70.79810	0.5
70.80160	0.5
71.01252	10.0
72.99168	1.0
73.02815	1.4
75.00741	0.4
78.95776	0.7
79.95604	0.7
80.02540	1.1
80.96380	2.1
81.03342	1.6
83.01254	1.1
83.04891	3.7
84.02034	0.6
85.02819	2.7
85.80196	0.4
87.00736	3.0
87.97592	0.3
88.12782	0.3
88.98672	0.7
89.02318	9.6
93.03323	0.7
94.97968	0.7
95.01292	0.6
95.04893	0.7
96.95872	0.7
97.02832	2.0
99.00763	0.7
101.02327	7.5
106.79572	0.3
109.02822	0.4
109.06473	1.2
111.04422	0.5
113.02330	4.2
119.03394	2.8
121.02846	0.5
123.04382	0.4
125.02335	5.8
125.05917	0.4
125.09610	0.4
131.03384	0.5
133.04929	0.4
134.97404	0.4
135.08055	0.8
139.03972	0.4
141.01749	0.4
143.03394	1.3
149.02303	0.4
150.80190	0.4
151.11162	0.5
161.04466	2.2
163.11197	3.5
165.12767	1.5
167.03357	0.4
169.01357	0.6
169.12180	1.6
174.03183	0.3
175.02362	0.3
175.03905	0.7
179.05534	3.4
181.12299	0.5
191.10622	0.7
207.10196	1.6
209.11763	100.0
210.12100	6.4
211.13387	1.7
213.11263	0.3
217.07153	0.6
221.06583	1.3
223.13284	1.6
224.13530	0.3
225.00693	0.7
225.11287	1.3
227.12825	8.9
233.11803	0.4
235.08145	2.9
241.11913	0.4
241.14270	0.4
251.12949	0.7
253.09171	0.9
275.02100	0.4
287.07657	1.3
293.21213	0.4
300.99893	0.6
305.08676	0.9
323.09857	0.5
379.12427	4.5
380.12784	0.5
383.22406	0.4
391.03214	0.4
397.13483	22.0
398.13800	1.2
401.23242	0.5
415.14468	5.7
416.14609	0.5
536.99219	0.3
589.25519	0.5
607.25916	1.0
695.02283	0.4
799.37799	1.3
816.49615	0.6
817.37921	6.1
817.51257	1.0
818.38452	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	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.1
57.43227	0.1
59.01241	0.2
61.98701	100.0
62.98410	0.3
71.01261	0.3
78.50397	0.1
78.95815	0.1
79.95616	0.2
80.96390	0.7
83.01305	0.1
85.02856	0.1
89.02323	0.2
94.97967	0.1
96.95924	0.1
101.02328	0.2
109.06466	0.2
111.00764	0.1
113.02332	0.1
114.93346	0.1
125.02319	0.2
130.52975	0.1
136.25162	0.1
163.11223	0.1
166.65051	0.1
207.10237	0.2
209.11765	1.0
211.13403	0.2
223.13382	0.1
223.82549	0.1
225.00780	0.1
225.11292	0.2
227.12918	0.1
289.40460	0.1
300.99985	0.2
382.02698	0.1
397.13541	0.2
447.21991	0.1
487.82843	0.1
739.39954	0.1
749.94183	0.1
799.39056	0.1
815.50507	0.1
816.36975	0.1
816.50391	0.5
817.38635	0.2
817.52142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03289	0.1
59.76070	0.1
61.98698	100.0
62.92771	0.1
68.13705	0.1
71.01266	0.1
78.95777	0.3
79.95626	0.2
80.96378	0.7
85.02847	0.1
94.97949	0.2
96.00575	0.1
98.19830	0.4
113.21037	0.1
116.92764	0.2
129.01878	0.2
148.98853	0.1
164.98575	0.1
171.10196	0.2
197.11792	0.2
209.11871	0.4
211.13510	0.1
219.78802	0.1
225.00804	0.1
253.09409	0.1
291.19769	0.2
293.21396	0.2
309.20834	0.2
327.21899	0.1
346.04422	0.1
816.48938	0.5
817.38232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
61.98699	100.0
62.98409	0.1
69.32307	1.2
71.01255	0.5
75.00739	0.9
78.95790	0.5
79.95618	0.4
80.21885	0.1
80.96389	1.7
88.98699	0.2
94.97959	0.5
101.02320	0.2
113.02340	0.2
124.41380	0.1
125.02335	0.2
127.48992	0.1
134.97496	0.1
157.24594	0.2
164.98509	0.4
165.12814	0.2
165.84993	0.1
171.10242	0.4
173.24092	0.2
195.13866	0.2
197.11797	0.4
207.10239	0.4
209.11765	1.6
210.12160	0.4
211.13370	0.2
223.13342	0.4
225.00716	0.5
225.11302	0.3
226.01254	0.2
227.12891	0.2
253.09200	0.2
289.18216	0.2
293.21317	0.6
294.21423	0.2
300.99957	0.2
309.20834	0.2
310.21082	0.2
311.22321	0.3
339.38367	0.1
371.02689	0.2
443.63293	0.2
492.37863	0.3
742.43127	0.3
756.46167	0.3
815.50311	0.2
816.39563	0.8
816.50970	0.5
817.38470	0.5
817.52521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.0
63.96092	1.8
69.03321	0.9
71.01258	11.5
73.02828	3.7
78.98465	10.1
79.95602	14.7
80.96390	97.5
81.03333	1.4
85.02839	3.4
87.00745	4.1
94.97955	22.5
95.01289	1.1
96.95883	1.6
97.02824	1.9
101.02329	3.2
106.97952	3.9
113.02388	0.8
122.97490	4.4
125.02334	4.3
127.03922	1.2
130.55240	0.6
134.97481	7.1
136.99042	2.3
146.97403	0.8
148.99031	8.2
152.98544	9.3
164.98535	18.7
182.99635	0.7
200.30995	0.7
200.75671	0.7
206.99542	3.8
225.00696	24.8
255.23270	2.6
277.21704	2.0
380.03369	0.7
537.27362	2.6
559.25848	2.9
754.23669	0.7
815.49835	100.0
816.50134	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	815.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.4
61.98694	6.4
70.98245	2.1
71.01247	6.7
73.02818	1.3
75.00737	1.4
78.79501	1.3
78.95767	32.7
79.95607	4.0
80.02552	1.6
80.96380	9.6
83.04895	4.1
85.02791	1.5
88.98687	2.0
89.02321	1.9
94.97978	2.9
95.04862	1.8
96.96840	6.3
101.02343	3.0
109.06470	2.4
110.44051	1.0
127.11111	1.1
135.07941	1.5
141.85616	1.0
151.37769	1.0
152.99484	5.9
161.04353	1.4
163.11186	3.6
164.98538	1.3
165.12695	1.7
171.10172	14.8
179.05698	1.1
191.10721	1.2
199.09773	1.3
201.11259	1.3
207.10199	3.0
209.11761	100.0
209.64453	1.1
210.12152	6.9
223.00108	2.5
225.00677	1.5
225.11223	3.4
227.12833	13.8
228.13042	1.2
235.08203	4.8
241.01152	13.8
253.09181	10.0
255.23276	17.2
277.21704	83.9
278.22147	7.2
297.03833	1.4
391.23120	1.2
445.20740	3.0
725.38770	12.0
726.38721	2.8
764.44189	1.3
779.39545	4.4
797.40930	22.2
798.41223	4.5
815.40338	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	815.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
59.01253	5.1
61.90675	0.9
61.98700	9.6
63.96083	0.8
71.01246	4.7
71.50938	0.8
73.02823	1.5
73.88944	0.8
75.21516	0.8
78.95761	0.9
79.95592	1.8
80.96392	9.3
83.01228	0.8
85.02818	1.4
87.00738	1.8
88.48531	0.9
88.98676	9.2
89.02294	2.7
93.03329	1.0
94.97973	2.6
95.01249	1.1
96.95913	5.7
97.02839	1.2
99.00734	1.2
101.02299	2.6
109.02894	0.8
113.02317	1.1
116.54202	0.7
117.35124	0.8
119.04867	1.0
121.02843	1.6
123.00704	1.5
125.02330	3.3
126.37915	0.9
135.04272	0.9
137.02327	1.8
159.04424	1.7
161.02336	3.1
164.98552	1.0
173.02290	1.0
173.41548	0.8
174.03117	2.2
175.03873	3.3
184.94199	1.0
187.03876	1.4
189.01814	1.4
189.39384	1.0
191.05441	1.5
200.72546	0.8
200.93628	0.9
203.03482	1.6
209.11807	4.2
210.12155	1.2
219.02956	0.9
223.13370	4.1
224.13695	1.6
225.00656	1.4
300.99857	2.3
313.05142	2.1
314.05768	9.7
315.06491	7.8
327.06628	1.9
341.13934	0.9
354.05197	1.4
355.06088	1.4
393.07733	0.8
397.13629	1.0
405.07434	1.8
415.09604	2.0
416.10266	1.4
422.08011	2.4
423.08856	2.2
431.09305	1.2
442.08566	1.3
443.09259	3.5
444.09955	1.8
445.10608	1.9
447.08752	4.9
448.09317	4.3
449.10095	6.8
457.11041	1.4
459.08377	1.7
460.09546	1.5
461.10272	11.7
462.11041	3.1
463.12180	5.1
470.08118	1.6
471.08517	2.9
472.09116	2.8
473.10165	3.8
474.11151	2.1
475.07733	1.2
485.10303	1.6
488.08463	4.8
489.09674	23.8
490.10001	6.0
491.10358	4.7
501.09952	1.1
502.10556	4.4
503.11386	3.8
530.09784	7.8
531.10870	3.0
532.09088	1.6
533.08777	2.0
549.12048	2.8
590.12720	1.5
609.13519	4.5
651.14685	1.8
652.12262	19.8
653.13000	100.0
654.13293	17.0
695.13251	1.1
771.18707	1.9
772.18579	1.2
815.18427	32.3
815.50220	7.6
816.18854	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	815.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.3
59.01250	16.9
61.98709	4.8
65.73168	1.7
69.38052	10.4
69.38464	3.0
71.01246	6.1
81.03330	5.1
83.01254	2.5
83.04890	2.6
85.02821	22.2
87.00756	5.2
88.98672	2.1
92.01836	1.7
93.03338	18.0
94.16626	1.6
95.04952	2.0
96.17204	1.8
96.95899	2.3
98.19780	3.0
98.23514	1.8
99.04369	2.7
109.02845	7.6
111.00756	2.0
111.04401	4.2
121.02827	2.8
123.04385	2.5
125.02320	13.9
127.03868	5.3
133.02223	1.8
135.04454	2.7
137.02332	16.0
145.02863	2.3
151.00320	1.8
151.03908	2.0
155.03369	2.0
161.02342	8.1
165.01865	4.2
165.97610	1.6
167.03441	8.5
169.01402	4.6
173.04436	8.0
175.03931	2.3
177.01811	2.9
179.03424	2.6
181.05022	4.4
187.03835	2.3
189.01889	4.3
191.05539	100.0
192.05919	4.7
203.10779	2.0
205.04962	2.1
211.03979	4.4
213.05511	4.5
215.07045	6.2
216.36899	1.9
229.04924	2.5
235.09531	1.7
237.09091	2.0
239.03447	7.4
241.04909	14.5
242.02003	2.0
243.06651	5.6
263.03473	2.1
264.04382	2.4
269.04562	9.3
275.01996	2.5
291.06772	1.9
295.02393	2.6
299.99036	2.1
300.99942	5.8
314.05551	1.9
315.06674	1.9
325.05194	3.8
325.90240	1.9
339.06387	3.2
342.05432	5.1
343.06042	11.8
345.03857	3.5
346.04587	3.3
347.05618	4.6
353.04498	8.0
354.05167	6.1
355.06134	4.8
357.07755	4.7
358.04675	3.2
359.05386	3.6
365.56522	2.0
366.05267	2.5
367.06046	25.8
368.06491	5.5
369.03952	18.4
369.07852	3.1
370.04562	5.2
371.05560	34.0
372.06201	6.5
373.07156	2.5
380.06351	2.3
381.04697	1.7
381.09738	4.3
383.05435	9.8
384.06418	3.1
385.03027	2.8
385.07239	27.8
386.07758	3.1
387.08853	2.5
389.07056	2.1
391.05515	2.2
393.03610	2.4
395.05609	3.3
397.07324	10.1
398.04303	6.3
399.05069	25.8
400.05551	5.5
407.07797	18.8
411.05078	16.4
413.06732	4.3
423.05005	5.1
425.08307	2.2
429.06317	6.9
433.05774	3.1
441.06195	4.2
455.04251	2.0
459.06985	2.4
479.11694	2.4
493.09326	2.8
512.77686	1.9
519.07172	2.7
525.19788	2.1
535.10181	2.6
537.07764	3.6
561.08118	3.9
579.09363	5.0
599.14111	2.7
745.94415	1.8
797.13025	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	815.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.3
59.01250	16.9
61.98709	4.8
65.73168	1.7
69.38052	10.4
69.38464	3.0
71.01246	6.1
81.03330	5.1
83.01254	2.5
83.04890	2.6
85.02821	22.2
87.00756	5.2
88.98672	2.1
92.01836	1.7
93.03338	18.0
94.16626	1.6
95.04952	2.0
96.17204	1.8
96.95899	2.3
98.19780	3.0
98.23514	1.8
99.04369	2.7
109.02845	7.6
111.00756	2.0
111.04401	4.2
121.02827	2.8
123.04385	2.5
125.02320	13.9
127.03868	5.3
133.02223	1.8
135.04454	2.7
137.02332	16.0
145.02863	2.3
151.00320	1.8
151.03908	2.0
155.03369	2.0
161.02342	8.1
165.01865	4.2
165.97610	1.6
167.03441	8.5
169.01402	4.6
173.04436	8.0
175.03931	2.3
177.01811	2.9
179.03424	2.6
181.05022	4.4
187.03835	2.3
189.01889	4.3
191.05539	100.0
192.05919	4.7
203.10779	2.0
205.04962	2.1
211.03979	4.4
213.05511	4.5
215.07045	6.2
216.36899	1.9
229.04924	2.5
235.09531	1.7
237.09091	2.0
239.03447	7.4
241.04909	14.5
242.02003	2.0
243.06651	5.6
263.03473	2.1
264.04382	2.4
269.04562	9.3
275.01996	2.5
291.06772	1.9
295.02393	2.6
299.99036	2.1
300.99942	5.8
314.05551	1.9
315.06674	1.9
325.05194	3.8
325.90240	1.9
339.06387	3.2
342.05432	5.1
343.06042	11.8
345.03857	3.5
346.04587	3.3
347.05618	4.6
353.04498	8.0
354.05167	6.1
355.06134	4.8
357.07755	4.7
358.04675	3.2
359.05386	3.6
365.56522	2.0
366.05267	2.5
367.06046	25.8
368.06491	5.5
369.03952	18.4
369.07852	3.1
370.04562	5.2
371.05560	34.0
372.06201	6.5
373.07156	2.5
380.06351	2.3
381.04697	1.7
381.09738	4.3
383.05435	9.8
384.06418	3.1
385.03027	2.8
385.07239	27.8
386.07758	3.1
387.08853	2.5
389.07056	2.1
391.05515	2.2
393.03610	2.4
395.05609	3.3
397.07324	10.1
398.04303	6.3
399.05069	25.8
400.05551	5.5
407.07797	18.8
411.05078	16.4
413.06732	4.3
423.05005	5.1
425.08307	2.2
429.06317	6.9
433.05774	3.1
441.06195	4.2
455.04251	2.0
459.06985	2.4
479.11694	2.4
493.09326	2.8
512.77686	1.9
519.07172	2.7
525.19788	2.1
535.10181	2.6
537.07764	3.6
561.08118	3.9
579.09363	5.0
599.14111	2.7
745.94415	1.8
797.13025	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	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.1
61.98702	100.0
62.98402	0.2
63.29382	0.1
70.78468	0.2
71.01258	0.3
72.99178	0.1
73.02827	0.1
77.18688	0.1
78.95783	0.2
79.95634	0.1
80.96412	0.1
85.02848	0.1
101.02348	0.1
113.02336	0.1
125.02374	0.1
152.99554	0.1
209.11906	0.1
211.13077	0.1
221.12080	0.1
231.77824	0.1
293.21118	0.1
713.60504	0.1
754.48279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98700	100.0
62.98399	0.1
71.01283	0.1
75.00732	0.2
75.14738	0.1
78.95783	0.3
80.96384	0.2
81.20362	0.1
81.41882	0.1
94.80656	0.1
98.20571	0.2
104.20504	0.1
125.02318	0.1
143.65335	0.1
152.99480	0.1
181.77898	0.1
223.13484	0.1
229.84889	0.1
293.21292	0.3
341.10822	0.1
472.34921	0.1
718.24695	0.1
814.37378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.2
61.98702	100.0
62.98406	0.2
71.01253	0.3
75.00745	0.3
78.95796	0.1
82.47408	0.1
88.78601	0.1
98.20535	0.2
110.76869	0.1
144.73676	0.1
184.33589	0.1
197.11852	0.1
211.13161	0.1
223.13359	0.2
224.13609	0.1
229.25206	0.1
238.91214	0.1
293.21176	0.1
310.21396	0.1
418.14325	0.1
508.21869	0.1
615.68542	0.1
646.41248	0.1
754.47906	0.1
845.97461	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	814.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
61.98701	100.0
62.98407	0.2
70.00736	0.1
71.01260	0.3
71.12666	0.1
72.99183	0.1
75.00755	0.7
78.95785	0.6
79.35406	0.1
79.95618	0.2
80.96387	0.6
89.02332	0.1
94.98002	0.1
96.24317	0.1
101.02316	0.1
111.08122	0.1
125.02370	0.1
127.58195	0.1
134.23833	0.1
140.01091	0.2
164.98566	0.2
171.10191	0.2
195.13959	0.1
197.11813	0.1
209.11781	0.3
223.13275	0.2
225.00720	0.2
225.14949	0.1
275.02179	0.1
293.21304	0.5
300.99948	0.2
309.20801	0.1
317.94754	0.1
341.10742	0.1
341.23495	0.4
471.34842	0.2
472.35013	0.2
728.55786	0.1
814.48889	0.7
815.37122	0.5
815.52191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.1
61.98699	100.0
62.57974	0.1
62.98402	0.2
69.19791	0.8
71.01257	0.2
75.00739	0.4
78.95791	0.4
80.96373	0.2
87.73016	0.1
88.98684	0.1
91.08454	0.1
98.19765	0.1
101.02326	0.1
113.02297	0.1
133.96271	0.1
147.98062	0.1
170.40546	0.1
195.13811	0.1
197.11787	0.2
209.11916	0.2
223.13393	0.3
224.13733	0.1
245.19270	0.1
277.01923	0.1
291.19769	0.2
293.21295	0.1
301.00186	0.1
309.20609	0.1
311.21631	0.1
453.42661	0.1
754.47150	0.1
815.26813	0.1
815.40894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	6.5
59.01249	15.2
60.99180	1.5
61.98702	55.6
64.72990	0.9
69.03329	2.0
71.01250	64.9
71.82555	1.2
72.99163	2.4
73.02817	19.9
75.00739	13.7
75.02033	0.9
76.01102	1.8
78.95779	4.1
80.96383	1.5
83.01264	9.5
85.02823	33.9
86.03180	1.2
88.98667	7.1
89.02303	3.6
98.19829	2.3
99.00762	7.8
99.93022	1.2
101.02328	6.8
111.23625	1.0
113.02339	5.6
116.36677	1.1
125.02322	1.9
131.03386	9.7
145.04974	1.8
152.99431	1.5
163.06151	1.1
168.97430	1.0
170.98245	1.1
171.10168	1.1
201.11194	1.4
209.11769	3.6
213.16226	1.0
244.36148	1.2
259.35834	1.0
277.21603	1.9
306.48441	1.1
518.16656	1.3
607.42114	12.4
608.26508	1.2
608.41962	1.5
651.40875	6.6
652.41046	1.4
704.05365	1.1
753.47900	100.0
754.48218	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	813.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.9
58.00466	2.3
59.01247	25.3
61.98702	30.2
68.60616	1.0
69.03334	3.6
71.01250	45.3
72.99193	3.1
73.02815	9.5
75.00745	2.1
75.59900	1.0
78.95768	5.1
80.96395	1.9
81.03338	1.8
81.06977	1.8
83.01254	6.9
83.04901	3.2
85.02825	23.8
87.00749	4.0
89.02320	7.9
90.22754	1.3
92.82973	1.1
93.03341	1.7
96.95888	2.2
97.06458	3.5
98.20570	2.9
99.00761	5.4
101.02335	11.6
103.03928	1.9
109.06481	2.6
112.02734	1.1
113.02324	4.4
119.03395	1.5
125.02336	1.8
127.03984	1.3
131.03372	6.2
137.02342	2.0
141.09088	3.5
145.04958	1.6
161.04465	2.4
163.11165	2.8
165.12698	1.7
169.01253	1.5
171.10234	1.4
185.11783	1.2
195.13863	3.5
197.11758	2.9
207.10216	3.0
209.11760	52.1
210.12064	3.6
211.13281	3.5
223.13298	16.1
225.11305	2.3
227.12805	7.7
245.19058	1.7
253.09265	4.8
263.20193	1.6
267.19559	2.3
289.18063	9.7
290.18161	1.6
293.21249	1.8
295.22806	1.2
300.99908	3.0
307.19110	9.3
308.19415	2.0
309.20697	4.1
357.28018	2.2
375.29019	64.0
376.29309	8.2
379.12625	1.4
397.13690	6.2
445.20816	2.3
457.36523	2.6
475.37897	4.2
507.33179	1.9
551.32336	2.6
607.42090	6.4
635.93469	1.3
653.39276	3.9
735.47119	6.1
736.47406	1.7
740.41718	5.6
753.47955	100.0
754.48358	27.8
813.36847	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	813.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	0.7
67.49576	0.5
71.01247	2.8
71.87879	0.5
78.95770	66.5
78.98451	1.1
79.95597	1.7
80.02538	1.9
80.07566	0.6
80.96385	17.2
81.03323	2.2
83.04890	6.0
84.02029	1.7
94.97968	3.3
95.04903	0.8
96.96832	13.4
106.97949	1.2
122.97440	0.8
125.02343	0.8
134.97464	1.2
134.98395	1.3
135.08031	1.2
136.99118	0.6
148.99001	1.3
151.33871	0.6
152.98495	1.1
152.99489	14.6
163.11156	4.4
164.98537	2.2
165.12766	2.6
181.12198	0.8
191.10709	1.0
206.99596	0.9
209.11760	61.2
210.12086	4.5
223.00055	5.1
225.00662	5.7
227.12817	5.5
241.01134	29.3
242.01407	0.9
243.38606	0.7
255.23265	42.6
256.23590	3.7
259.02286	2.5
297.03757	0.9
315.04779	1.3
363.12088	0.7
391.22574	2.4
395.14673	1.6
553.27814	2.5
557.19916	0.8
571.28778	1.0
709.38232	13.6
710.38477	2.6
781.41577	7.9
782.41382	1.2
795.41925	2.3
813.43896	100.0
814.44275	24.8
814.59863	0.9
820.17218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.7
59.01251	5.3
61.98700	14.0
64.91363	0.6
71.01253	5.1
71.04891	0.7
75.00732	1.6
78.95768	1.4
80.02541	0.7
81.03330	1.7
83.01256	1.4
83.04888	4.7
85.02833	1.3
87.00753	0.9
88.92999	0.7
89.02321	1.9
95.04896	1.1
97.02815	1.0
97.06476	1.7
98.20194	4.3
101.02316	3.0
109.06465	2.1
109.43069	0.6
111.00745	0.8
113.02314	1.2
116.92735	0.7
123.04441	0.8
125.06017	1.0
125.09603	2.0
131.03406	0.7
135.08040	1.2
137.09566	1.2
161.04526	1.2
161.09647	0.7
163.11189	6.2
165.12807	3.4
171.10262	0.8
181.12222	0.7
185.11772	2.8
191.10736	1.3
191.14349	1.7
197.11743	1.6
207.10225	5.2
209.11771	100.0
210.12103	6.2
211.13452	0.7
225.11217	3.9
227.12827	10.9
235.08197	2.4
237.11374	0.8
245.19112	3.0
253.09241	7.9
263.20175	1.3
289.18088	16.6
290.18237	0.9
300.99838	1.2
307.19147	16.0
308.19312	1.0
309.20731	3.0
419.24466	0.7
445.20447	0.9
475.37836	1.8
542.60382	0.7
550.78949	0.7
637.31818	0.9
637.84821	0.7
691.74493	0.7
753.47461	2.7
813.36829	0.9
845.36676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
59.01243	3.1
60.99156	0.9
61.98702	100.0
69.53796	2.3
69.54218	3.0
71.01245	3.1
72.99194	0.9
75.00739	6.0
78.95779	2.1
79.07623	0.6
83.04921	1.6
85.02819	0.9
87.00739	1.4
88.98685	4.4
89.02309	1.4
97.06485	1.4
97.30051	0.7
100.19493	0.8
101.02318	1.4
109.06458	0.7
125.09633	0.7
131.03418	0.7
151.11221	1.1
152.99527	1.0
154.15596	0.6
161.04512	1.2
163.11171	1.7
165.12787	2.0
181.12311	1.9
209.11761	23.7
210.12189	1.3
211.13225	1.7
223.13423	1.3
227.12817	4.8
235.08247	1.0
245.19229	1.2
253.09286	2.3
263.20279	2.5
289.18079	3.7
291.19696	1.2
292.20041	1.0
293.21426	1.4
297.59317	0.7
300.99918	0.9
307.19073	8.9
308.19745	1.1
314.97522	0.7
445.21060	1.8
543.28680	2.1
577.54401	0.8
728.25867	0.8
753.45923	3.5
813.38525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.4
57.34871	1.1
59.01233	2.9
65.00188	5.0
67.87655	1.0
69.25761	11.4
71.01247	2.4
83.01225	1.9
85.02801	1.6
87.00752	1.1
93.03327	3.0
95.01258	1.9
96.95852	1.6
97.02810	3.4
108.01984	1.1
109.02866	2.5
113.02277	1.9
121.02831	10.5
123.00843	1.3
123.04390	1.7
125.02329	3.1
135.04395	1.7
137.02293	2.5
139.03838	1.8
149.02325	1.8
151.00290	4.0
161.02310	3.4
163.00250	1.5
165.00526	1.7
165.01843	28.9
166.02307	3.9
167.03442	1.6
169.01271	2.0
175.03957	1.9
175.32889	1.2
178.99788	7.6
183.02879	2.3
189.02196	1.1
191.05466	2.6
193.01385	5.1
207.02869	1.4
211.03909	1.6
224.04762	1.5
225.05568	1.5
227.03249	2.0
237.05534	8.0
243.02745	1.6
253.04988	1.8
255.02942	2.2
263.03445	13.6
264.04224	5.4
265.05072	6.0
271.02402	5.3
272.02914	1.4
277.05197	1.4
279.02991	1.6
281.04611	1.9
291.02988	11.1
292.03693	10.8
293.04572	6.9
299.02032	3.4
300.02667	6.1
301.00314	1.6
301.03369	7.5
302.37915	1.1
305.04517	1.5
307.02423	1.3
308.03210	5.9
309.04034	100.0
310.04550	17.5
311.05334	2.4
315.01996	2.7
315.05069	72.9
316.05383	14.0
317.05557	3.8
320.03015	1.9
321.03983	4.7
330.03760	2.6
331.04434	1.6
371.26773	1.3
395.00815	19.6
396.01053	4.3
397.00543	3.5
398.03979	1.6
399.04953	1.3
411.04984	1.5
413.06537	1.9
416.98596	2.3
426.03656	2.3
427.04404	3.0
441.06323	6.9
454.03348	2.0
457.05560	7.0
458.06354	2.0
459.07260	1.4
468.05045	2.2
469.05908	7.1
470.05811	1.9
472.04388	6.1
477.06302	2.5
486.05994	8.9
487.06662	41.7
488.07288	6.2
499.06927	2.6
516.07220	1.5
622.93243	1.3
650.12708	48.6
651.13367	17.5
652.13623	2.1
663.13367	6.8
664.13971	1.8
667.13110	3.2
813.18829	35.8
814.19092	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	813.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86402	3.0
59.01260	19.0
61.98701	41.6
66.71054	3.1
71.01247	17.3
71.50150	4.9
71.50517	3.7
72.99184	6.4
75.00734	3.8
78.95773	7.4
81.03316	3.2
83.01251	6.7
85.02805	5.9
87.00742	33.8
88.98676	21.3
93.03325	10.1
95.01250	4.9
96.95872	7.0
99.00732	16.3
101.02346	5.3
105.01792	7.0
111.00751	13.7
113.99426	6.4
115.00247	32.0
116.92772	4.4
125.02319	14.0
137.02332	7.0
139.00247	20.1
145.02863	4.9
153.01817	6.0
157.01306	5.0
159.02888	6.0
161.02345	5.1
165.01845	90.3
171.10202	4.2
173.02304	17.9
174.01720	3.9
174.03125	7.5
175.02359	19.6
175.03883	14.2
177.01860	4.2
187.03885	5.0
209.00790	13.7
209.11790	9.5
213.34258	3.2
223.13240	3.1
240.26826	4.2
271.06018	3.3
275.02094	5.1
285.05353	4.8
300.99841	8.2
313.04990	9.5
314.05759	29.8
315.06616	16.4
327.06622	4.6
355.05811	4.7
355.45355	3.6
365.08371	4.0
375.10056	6.4
390.09039	7.3
401.08444	5.3
402.08646	4.1
405.07532	6.2
415.09760	8.2
419.09268	9.7
422.07944	14.5
423.08618	15.9
431.09076	10.9
439.08069	7.5
442.08383	4.6
443.09274	33.1
446.07831	7.0
447.08661	31.7
448.09378	29.5
449.10352	20.6
455.09091	4.1
457.07101	12.1
462.11218	3.9
470.08121	4.7
471.08655	95.7
472.09012	14.6
473.06607	10.1
474.07050	15.6
475.08240	27.0
476.08603	7.8
484.09381	8.7
485.10602	19.2
489.09540	7.1
490.06723	46.3
491.07504	39.3
492.08398	33.0
493.09259	22.0
501.09589	6.5
529.08936	6.0
546.09637	9.6
547.10107	9.0
585.13910	12.5
590.08392	3.7
591.09595	17.5
601.13519	8.8
611.15576	6.0
620.13092	6.2
633.11615	5.5
637.13428	61.4
638.13678	16.8
649.34302	3.7
650.10785	8.5
651.11432	26.0
653.12885	100.0
654.13239	24.3
655.14343	51.2
656.15094	10.8
691.14337	6.4
709.15979	10.4
751.17200	7.5
753.14581	42.6
754.15289	10.2
769.17401	7.7
795.15082	8.1
813.16797	21.3
813.38324	4.3
814.17407	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	813.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
59.01244	3.4
61.98716	0.8
63.02266	1.9
65.00185	4.3
69.57744	3.1
71.01249	4.2
72.99187	0.8
73.02831	0.9
75.00745	0.6
81.03249	0.4
83.01266	3.8
85.02821	3.8
87.00739	1.3
89.02287	0.4
91.01740	0.6
93.03325	1.1
95.01255	1.7
96.95929	1.0
98.19808	0.8
99.00747	1.9
101.02313	0.7
103.00237	0.8
107.01270	8.1
108.02063	1.1
109.02841	3.5
113.02324	4.3
115.00262	0.5
119.01286	0.6
121.02859	4.9
123.00785	0.7
123.04393	0.5
124.01587	0.8
125.02367	3.4
135.00772	0.6
135.04443	1.1
137.02353	1.0
139.03882	0.7
141.35632	0.4
143.04881	0.9
145.02852	2.1
149.02318	1.3
151.00272	30.9
151.03780	0.6
152.00888	0.8
153.01833	0.5
158.03555	0.6
159.04366	1.2
161.02318	2.9
163.00288	4.0
163.04010	0.6
164.00993	0.6
165.01778	0.5
167.04947	0.4
169.01317	3.2
171.04407	0.5
173.02385	2.2
175.02367	2.4
175.03873	1.2
177.01776	0.5
178.99782	14.0
180.00177	0.5
183.04424	1.3
187.03947	1.5
189.01833	1.2
190.99774	0.6
191.05522	0.8
192.00436	0.7
193.01360	0.8
195.04448	0.6
199.03880	0.6
201.05450	0.8
203.03433	0.5
211.03915	2.0
213.01808	1.1
214.02586	0.6
215.03503	0.5
226.02615	0.9
227.03459	2.2
229.04993	1.8
237.05624	0.7
239.03474	0.6
241.04962	0.5
242.01927	0.5
243.02905	1.5
245.04547	1.8
255.02934	6.9
256.03537	1.0
257.04446	1.3
271.02441	5.1
273.03839	2.4
275.01871	0.7
283.02420	2.8
284.02948	0.6
285.04019	1.6
299.01971	12.0
299.05350	0.7
300.02628	4.6
301.03506	100.0
302.03784	7.5
307.06113	1.1
311.07138	1.2
315.06982	0.5
327.06799	0.6
335.05676	2.5
339.06601	0.9
355.05826	0.7
367.06293	0.7
383.05392	1.6
384.06116	0.9
411.05219	3.3
413.07187	0.6
429.06186	5.7
430.06497	0.6
439.04514	1.6
440.05157	1.6
457.05624	49.0
458.05850	6.0
459.05667	8.5
460.06116	1.3
463.08612	0.7
471.12726	0.7
477.06726	50.2
478.06998	4.9
507.70956	0.5
519.07776	3.2
633.08521	2.8
637.12476	1.2
639.11932	1.6
640.12482	0.6
707.26056	0.6
792.78680	0.5
813.16010	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	812.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.2
60.32684	0.1
61.98701	100.0
62.98402	0.2
63.42059	0.1
66.29771	0.1
71.01231	0.2
71.50883	0.2
72.99178	0.2
78.95785	0.1
85.02834	0.1
123.80427	0.1
149.31798	0.1
209.11807	0.2
223.13493	0.2
289.18109	0.1
301.00031	0.1
435.70920	0.1
458.30157	0.1
466.89218	0.1
475.37808	0.2
753.48053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.8
59.01249	4.6
60.07511	0.6
63.02268	2.7
65.00198	7.1
71.01250	7.1
71.51898	1.3
72.56152	0.7
73.02831	0.9
75.00735	1.4
83.01250	5.1
85.02814	7.3
87.00732	0.9
93.03327	1.5
95.01244	2.5
96.95902	1.5
97.02808	0.9
99.00748	2.0
101.02344	1.0
103.00235	1.2
107.01272	11.3
108.02065	8.0
109.02830	5.5
112.18491	0.8
113.02325	7.0
116.66998	0.8
118.95645	0.8
121.02838	11.7
124.01602	0.9
125.02315	2.9
133.02832	2.8
135.00819	1.0
135.04393	1.4
137.02254	0.9
139.03894	0.8
145.02831	2.1
149.02333	1.6
149.41136	0.7
151.00264	36.6
152.01050	12.0
153.01868	3.5
159.04385	1.9
161.02333	9.0
161.06029	1.0
163.00266	3.2
163.03780	0.8
165.01848	16.2
166.02232	1.0
169.01331	2.9
173.02327	3.0
174.03043	1.3
175.02347	3.7
175.03799	1.6
177.01892	0.9
178.99796	13.8
179.03470	1.2
183.04401	2.5
184.71254	0.7
186.03122	1.0
187.03885	1.3
189.01813	1.8
192.00549	1.2
193.01324	2.9
198.03090	0.8
199.03995	1.5
209.11671	0.9
211.03935	3.6
215.03328	0.8
227.03435	3.4
229.04907	2.4
235.03975	0.8
237.05476	1.7
239.03430	1.3
242.02228	1.3
243.02911	2.4
245.04517	2.8
249.05510	1.8
255.02946	7.8
256.03610	1.1
257.04517	1.4
263.03467	2.5
271.02444	9.4
272.02905	0.9
273.04056	2.5
277.05029	2.4
283.02454	3.1
285.03986	2.2
291.02988	1.5
292.03806	1.0
293.04510	1.1
299.01944	23.0
300.02652	8.8
301.03500	100.0
302.03802	7.1
308.03580	0.8
309.04007	10.2
310.04706	1.8
314.04514	0.7
315.04834	31.5
316.05423	6.4
317.05518	1.2
327.06470	1.2
335.05624	0.8
339.06656	1.8
355.06091	1.2
366.04803	1.1
367.05981	1.2
382.04849	0.9
383.05463	2.7
395.00818	8.6
396.01215	1.2
401.06775	1.0
411.04996	5.1
412.05750	1.3
429.06079	14.2
430.06622	1.4
439.04736	3.4
440.05334	2.3
441.06226	0.9
457.05606	95.3
458.05969	12.0
459.05472	6.3
469.06161	1.0
477.05887	43.0
478.07245	3.4
487.06464	5.3
519.07654	2.3
633.11792	1.7
637.11829	2.5
639.12000	1.8
650.13074	5.1
651.13239	1.6
795.55841	0.9
813.17676	8.3
814.17218	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	811.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.6
61.98706	40.3
69.03333	3.6
71.01262	8.9
72.51452	2.5
78.95774	7.3
85.02818	3.3
89.02319	3.9
91.84769	2.6
98.19779	6.0
101.02345	5.9
108.86954	2.3
109.06473	3.2
111.08007	4.4
113.02322	3.7
113.36610	3.0
118.20150	2.8
125.02393	2.7
136.48404	2.6
143.25690	2.5
154.92468	2.6
165.12770	2.7
171.10226	4.3
175.03931	2.9
179.14355	4.5
181.12357	2.5
195.13864	12.4
197.11736	18.1
205.12253	9.9
211.13364	4.0
223.11115	4.8
223.13326	100.0
224.13614	5.7
235.08194	7.1
239.03714	2.5
253.09268	15.9
283.91339	2.6
291.19647	20.5
292.20184	4.1
301.00089	4.6
309.20728	66.6
310.20911	4.3
353.81329	2.5
459.22247	18.3
478.97824	2.8
751.42609	6.2
811.36938	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	812.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.57013	0.1
61.98700	100.0
62.98413	0.2
69.77854	0.1
71.01259	0.3
71.84511	0.1
71.94079	0.1
78.95782	0.1
80.96384	0.1
98.20567	0.3
99.00764	0.1
116.92706	0.1
119.03478	0.1
143.50905	0.1
160.01753	0.1
179.05440	0.1
191.74223	0.1
207.10207	0.1
209.11844	0.2
223.13379	0.4
224.13702	0.2
225.14061	0.1
227.97992	0.1
289.18091	0.1
290.18359	0.1
341.10941	0.4
471.34930	0.2
508.08627	0.1
591.46405	0.1
736.49402	0.1
753.48120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.1
59.01249	14.9
61.98703	40.3
69.03329	1.8
70.05404	1.1
71.01263	8.5
72.99174	1.6
73.02816	2.5
78.95745	1.6
79.05370	1.3
81.03345	4.0
83.01263	2.3
83.04882	11.6
85.02827	13.3
87.00745	3.1
87.87276	1.3
89.02300	3.2
97.02817	4.3
99.00795	1.4
100.27703	1.3
101.02312	5.3
109.06462	5.5
113.02338	3.9
116.92751	3.5
119.03441	1.2
125.09627	1.5
136.05083	1.5
142.02556	1.7
145.05005	1.9
149.09566	1.5
161.04445	2.0
163.11238	2.7
171.10135	9.8
175.11234	1.9
177.12740	10.3
177.88739	1.3
193.12238	2.0
195.13858	12.6
205.12256	1.5
209.11774	26.6
210.12138	2.0
221.11777	100.0
222.12080	6.9
223.13318	8.8
224.04698	1.5
227.12785	2.8
235.08215	7.3
237.05557	11.3
239.12839	49.6
240.13188	3.9
250.06262	3.0
253.09261	24.5
275.19940	6.8
277.46588	1.5
293.21207	99.9
294.21552	9.1
303.13892	7.5
321.14999	2.9
347.12677	4.9
365.13959	11.5
457.20657	4.6
475.21802	13.2
515.33911	1.5
583.21600	2.1
601.23212	2.0
751.42865	17.8
752.42908	3.5
811.34985	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	809.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
58.00458	1.2
59.00959	1.7
59.01250	26.9
59.49611	1.2
61.98690	4.9
65.83115	1.3
69.03314	2.2
71.01255	6.4
73.02833	1.3
78.95781	2.7
80.96378	1.5
83.04875	2.1
85.02805	2.7
89.02321	4.7
89.68288	1.1
95.04875	1.4
97.06476	3.5
101.02309	4.6
109.06454	2.0
111.08044	2.1
113.02341	2.3
119.04891	1.5
123.08099	1.5
125.02331	2.8
130.36578	1.1
151.11165	3.1
161.04460	3.3
161.13223	1.3
163.11211	2.3
165.12730	6.1
167.10690	2.6
171.10223	2.0
177.12715	1.5
179.10663	3.3
179.14349	3.2
181.12253	5.0
183.13768	1.1
191.10657	2.5
195.13876	8.9
197.11732	1.9
205.12260	11.1
209.11734	17.6
211.13303	2.6
223.13353	100.0
224.13654	5.3
227.12825	4.7
235.08231	3.8
237.14938	1.5
245.19019	5.2
251.60641	1.2
253.09277	8.5
263.20264	7.2
279.19876	2.3
289.18164	10.5
293.21246	2.5
300.99799	2.3
307.19141	34.5
308.19629	3.2
311.41806	1.4
427.19843	1.5
444.99963	1.5
445.20615	5.1
459.22272	9.3
460.22565	2.0
525.26831	4.1
543.28174	5.1
595.30652	2.3
651.33643	3.3
695.44104	1.3
749.40753	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	809.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44495	0.6
57.03312	1.4
59.01248	23.0
61.98692	3.1
69.03311	2.4
70.72219	0.6
70.98080	1.3
71.01246	5.0
71.04887	1.1
72.99191	0.6
73.02797	1.2
73.55447	0.7
78.95778	2.0
81.03342	1.1
83.01242	2.4
85.02816	1.9
85.06452	0.7
87.00756	1.6
89.02306	3.9
93.03336	0.7
95.04906	2.1
95.45054	0.6
97.02867	1.5
97.06453	2.2
98.86723	0.6
99.00771	0.8
101.02324	4.5
106.04088	0.6
113.02313	2.1
116.92784	0.9
119.03401	0.8
121.06463	0.7
123.04386	1.7
125.09615	3.5
137.09634	1.3
145.05042	1.1
146.00032	0.6
147.08029	0.9
161.04477	2.5
161.09665	0.9
161.13182	0.9
163.07587	0.8
163.11157	3.4
165.12686	0.9
167.10640	3.6
179.10690	1.2
179.14325	3.5
185.11742	4.1
191.10674	1.0
191.14345	3.6
195.13840	10.8
196.14204	0.8
197.11671	0.9
205.12283	10.4
206.12643	0.7
207.10217	1.9
209.11754	9.6
219.13762	0.6
223.13341	100.0
224.13678	5.9
225.11325	1.9
235.08160	4.9
237.11214	1.2
240.93620	0.7
245.19064	6.5
253.09274	12.5
263.20111	1.0
271.16919	1.6
289.18076	36.3
290.18472	3.3
293.21341	1.6
304.84155	0.8
307.19128	34.3
308.19415	3.0
380.85645	0.7
394.48569	0.7
397.23602	1.6
415.24878	2.0
441.21570	0.8
459.22351	9.0
460.22629	0.7
495.31442	0.9
513.31866	1.6
525.26733	1.1
543.27881	1.3
607.31177	0.8
623.90997	0.7
633.32684	5.3
634.33557	1.3
635.40375	0.9
651.33783	1.6
713.39679	1.6
731.40051	2.2
749.41968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60527	1.2
56.82277	1.3
57.03305	2.1
59.01258	9.5
61.98692	5.4
62.78645	1.2
69.03335	2.2
71.01245	6.0
71.04887	2.7
73.02809	1.4
78.95765	2.4
81.36125	1.5
85.02814	2.0
87.00745	2.1
89.02311	3.2
101.02320	4.4
109.06457	8.5
111.00759	1.7
111.04370	3.3
113.02348	3.1
123.08036	1.5
125.02321	2.0
133.04962	2.7
137.09650	1.6
138.06589	1.3
145.06526	1.5
161.04463	2.8
167.10667	5.0
179.10686	2.4
179.14279	2.4
195.13785	11.6
205.12268	10.1
209.11765	9.5
216.43802	1.2
223.13344	100.0
224.13754	6.3
224.15645	1.3
227.12875	1.6
235.08203	6.8
245.19005	4.7
253.09273	14.5
289.18094	96.6
290.18460	5.1
293.21469	6.5
300.99844	1.9
307.19031	5.9
459.22318	12.4
525.27142	4.5
533.90771	1.7
565.43951	1.4
731.40479	3.2
809.43219	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	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
59.31922	0.3
61.98703	5.2
62.98366	0.3
71.01268	0.5
84.02063	0.3
85.02808	0.4
87.00786	0.3
88.98666	0.5
93.03337	4.1
94.36597	0.3
95.01288	0.6
96.95896	1.1
99.00681	0.4
101.02299	0.4
105.03349	0.6
106.55002	0.3
107.04891	0.4
108.02058	1.0
109.02822	1.5
116.92724	1.0
121.02842	5.8
122.03631	16.2
123.00778	0.6
123.04395	1.3
124.01546	0.4
125.02341	1.0
133.02870	1.8
134.03622	0.9
135.04425	0.6
136.01558	4.3
137.02342	4.0
137.05960	0.3
138.03090	0.3
145.02861	0.6
146.03586	0.6
147.04427	0.6
149.02344	22.5
149.05991	0.5
150.03130	96.2
151.00291	2.0
151.03920	9.6
152.01079	1.0
152.04419	0.5
159.04594	0.3
161.02393	1.2
161.05981	0.9
162.03116	0.7
163.03906	0.3
164.04692	3.6
165.01875	2.6
165.05479	100.0
166.02626	4.8
166.05817	4.1
167.03326	0.8
169.01309	0.6
174.03133	0.6
175.03934	1.6
177.01888	0.6
177.05461	1.3
178.02580	0.4
178.99763	0.3
179.03445	0.7
179.07039	5.4
180.04195	7.0
180.07382	0.3
181.04985	7.3
187.03920	0.8
189.05450	0.3
191.05452	0.4
195.06555	72.8
196.06892	3.7
202.63211	0.3
205.04991	1.6
209.11763	0.6
209.42549	0.3
211.48158	0.3
217.01472	0.4
219.06593	1.2
220.07306	0.8
225.07541	0.8
229.25252	0.3
275.01807	0.4
289.07138	0.3
291.99374	0.3
300.99792	0.7
325.96713	0.3
357.09549	0.4
373.12857	0.9
387.11005	0.5
387.14697	4.1
392.11435	0.3
402.13116	0.5
403.13885	0.4
417.15527	7.6
418.15939	1.0
535.16174	0.5
564.20044	0.4
565.20776	13.7
566.20734	1.9
595.21692	1.1
596.21863	0.5
603.18298	0.4
613.22821	3.3
614.22955	0.7
619.21979	0.4
648.14545	0.5
667.24005	0.6
713.26172	1.6
743.26721	0.7
761.28015	1.2
791.28229	0.4
809.29376	1.7
810.31818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.98707	2.0
66.42537	0.3
69.30731	2.8
69.31147	0.7
71.01259	0.7
72.60957	0.3
76.12767	0.4
76.46904	0.4
77.03855	0.4
88.98690	0.4
93.03328	5.2
95.01266	0.8
95.04903	1.0
96.95906	0.8
98.20596	0.9
104.38983	0.4
107.04859	0.4
108.02018	1.7
108.51421	0.4
109.02847	2.9
111.00700	0.4
121.02821	7.2
122.03629	15.6
123.00761	0.5
123.04465	1.9
124.01575	0.8
125.02356	1.4
132.02095	1.2
133.02858	1.6
134.03638	2.7
135.04407	1.1
136.01552	6.6
137.02356	5.9
138.03110	0.6
139.03909	0.6
145.02892	1.0
146.03665	1.8
147.04440	0.6
149.02348	32.7
149.05946	3.0
150.03127	100.0
151.00308	1.3
151.03931	17.8
152.01001	0.7
152.04617	1.3
153.01854	0.4
153.05450	0.7
159.04437	0.5
161.02341	1.3
161.05959	0.7
162.03171	0.9
163.03922	0.7
164.01003	0.4
164.04724	6.3
165.05482	88.1
166.02625	6.0
166.05798	4.1
167.03424	1.0
173.02397	0.4
174.03174	0.7
175.03926	2.6
176.04747	0.4
177.01909	1.1
177.05486	2.3
178.02643	0.5
179.03464	1.2
179.07057	7.7
180.04221	6.2
181.04987	7.2
184.03728	0.5
187.03922	1.2
190.02661	0.5
192.04129	0.8
193.05051	0.8
195.06557	45.1
196.06827	1.8
201.11328	0.5
205.05051	2.2
207.06407	0.4
219.06606	1.5
220.07335	1.7
315.08795	0.6
329.10300	1.4
351.67883	0.4
372.12039	0.4
373.12766	0.7
382.59866	0.4
387.10098	0.5
387.14758	2.4
402.13269	0.6
403.13895	1.0
416.14487	0.7
417.15509	8.3
418.15625	0.6
471.16318	0.5
535.18536	0.7
536.15533	0.4
550.18420	0.6
564.19757	1.0
565.20746	16.4
565.29578	0.8
566.21173	2.1
595.21924	1.8
613.22705	4.1
614.22955	0.6
619.21588	1.5
667.23871	0.8
674.41217	0.4
713.26019	7.9
714.25806	1.2
725.25977	0.6
743.27179	3.5
761.27899	1.9
773.28418	0.6
791.30066	0.6
809.30103	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	807.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.8
58.97675	0.2
59.00957	0.3
59.01247	5.5
59.21408	0.2
61.98686	0.8
63.98271	0.2
69.03336	0.3
70.09576	0.6
71.01254	4.7
72.99171	0.4
73.02805	0.7
78.95755	0.4
79.95599	0.2
80.96388	1.1
83.01234	0.4
83.04903	0.3
85.02823	1.3
85.66652	0.2
87.00735	0.9
89.02316	3.8
94.97966	0.3
95.01247	0.4
97.02824	0.4
97.06441	0.2
101.02317	4.0
111.08027	0.5
113.02322	2.4
113.09595	1.5
119.03387	1.1
125.02335	0.5
125.09601	0.2
131.03375	0.2
143.03383	0.4
161.04454	1.8
164.98502	0.2
167.10649	0.3
168.04744	0.2
169.12279	0.3
171.10173	4.6
171.11627	0.3
177.12752	0.6
177.95528	0.2
179.05585	1.0
179.14354	1.3
181.12221	0.5
195.13826	20.6
196.14256	1.3
196.81270	0.2
205.12219	0.7
205.15816	0.4
211.13316	0.4
223.13342	4.1
224.13759	0.4
225.00745	0.3
228.13597	0.6
233.22827	0.2
235.08154	1.1
239.12749	0.2
253.09245	25.6
254.09581	0.7
255.23293	3.0
256.13110	0.7
256.23669	0.2
259.20755	0.2
265.21677	0.3
275.20148	4.1
275.23099	0.1
276.20502	0.4
277.21713	12.5
278.22092	1.1
293.21207	74.6
294.21503	5.8
295.22751	100.0
296.23117	8.3
378.71426	0.2
379.12305	0.8
396.14789	0.2
397.13431	1.9
415.14288	0.6
492.21576	0.4
529.30078	0.8
531.31726	0.6
571.43658	3.2
572.44025	0.5
768.18195	0.2
807.41901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	42.9
70.70035	5.6
71.01232	6.5
71.22536	7.6
71.58207	4.8
78.95773	19.4
79.95597	5.9
80.96394	26.3
82.95956	10.2
84.72488	5.5
94.97951	8.1
118.34873	5.0
144.76273	5.3
148.98962	5.4
149.67519	4.6
154.28915	5.6
169.01427	6.4
209.11763	100.0
210.12119	11.1
225.00830	7.9
227.12793	19.0
235.08154	6.4
253.09161	21.7
279.08652	6.1
293.21201	83.1
302.50793	5.2
445.20743	12.2
476.89975	5.7
529.30017	6.3
807.41595	75.1
808.41626	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	807.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.7
61.98694	11.8
69.03333	2.6
71.01259	6.9
71.04897	9.8
71.50138	1.9
71.50514	1.3
78.95766	5.0
80.96392	4.5
81.03311	1.8
85.02837	2.2
87.00756	2.1
89.02298	3.5
93.03310	1.6
94.97952	1.3
95.04894	8.8
101.02311	7.2
107.04912	1.9
109.06441	6.8
113.02324	2.7
119.03368	1.9
121.06434	2.6
122.03620	1.2
125.02348	2.9
135.08076	2.3
140.00986	1.3
149.09680	1.8
150.06789	1.2
152.99442	1.7
161.04437	2.8
161.05922	1.2
164.98537	1.5
165.09071	3.0
167.10634	3.5
171.10208	1.9
179.10704	2.4
179.14330	5.3
189.12764	5.7
195.13843	11.8
205.12250	10.7
205.15802	2.5
209.11702	2.2
223.13347	100.0
224.13728	6.4
225.00723	1.3
233.11842	2.6
235.08127	5.3
237.14876	1.9
243.17465	5.7
249.14902	3.4
253.09244	12.8
287.16537	39.7
288.16910	3.6
291.19629	1.7
293.21234	1.5
300.99951	1.5
305.17572	83.6
306.17944	6.4
389.98914	1.3
391.02863	2.1
459.22202	7.6
475.28595	2.0
493.29468	4.0
511.30508	3.2
523.25763	2.8
541.26740	3.5
729.38763	3.2
747.39777	1.6
807.41522	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
58.00485	0.1
59.01247	2.9
61.98698	0.4
69.03325	0.3
71.01249	2.5
71.04900	0.1
72.99179	0.2
73.02821	0.4
75.00780	0.1
78.95781	0.1
80.96389	0.1
83.01276	0.2
83.04908	0.1
85.02825	0.6
87.00753	0.5
89.01762	0.1
89.02313	2.0
91.03843	0.1
95.01266	0.3
95.04907	0.2
97.02837	0.1
97.06484	0.1
99.00768	0.1
101.02321	2.7
109.06440	0.1
111.08058	0.4
113.02330	1.3
113.09603	0.4
119.03381	0.6
121.10123	0.2
123.08036	0.1
125.02359	0.1
125.09620	0.1
129.01833	0.1
131.03387	0.1
140.48698	0.1
141.09125	0.1
143.03406	0.2
149.09573	0.1
159.02966	0.1
161.04472	1.4
167.10678	0.3
169.12291	0.1
171.10202	0.8
177.12772	0.2
177.16354	0.1
179.05527	0.6
179.10733	0.2
179.14323	0.8
181.12228	0.3
184.75804	0.1
195.13837	9.4
196.14314	0.9
197.15201	0.1
203.18039	0.1
205.12273	0.9
205.15892	0.5
211.13310	0.7
223.13348	6.6
224.13803	0.5
225.14835	0.2
228.13614	0.9
231.21107	0.5
235.08189	0.8
239.12877	0.2
249.22194	0.2
253.09254	15.7
254.09573	0.7
256.13144	1.3
257.13477	0.1
264.58432	0.1
265.21741	0.5
275.20142	7.0
276.20502	0.6
291.19785	0.1
293.21204	100.0
294.21536	8.2
492.22070	0.5
529.30127	0.9
530.30261	0.1
569.42145	1.2
570.42346	0.2
581.32037	0.1
736.43616	0.1
768.44104	0.1
805.40039	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	805.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76633	1.1
57.03325	1.5
58.00469	2.3
59.01250	15.9
61.98702	93.3
65.71650	1.2
69.03320	2.2
69.22092	12.1
71.01253	12.4
72.99155	1.5
73.02819	2.9
75.00740	2.9
78.95774	2.6
81.03356	1.8
83.01258	1.6
83.04888	5.1
84.02010	2.2
85.02834	9.1
87.00755	4.0
88.98690	1.5
89.02318	9.2
95.04879	1.6
96.95891	11.5
97.02827	1.7
97.06461	2.8
98.96315	1.3
99.00742	1.9
101.02320	7.1
109.02839	2.3
113.02320	5.3
116.92729	7.0
119.03394	2.5
125.02349	8.1
127.11174	1.6
135.04446	1.8
135.08031	1.4
136.33807	1.5
137.02354	3.0
137.09595	1.5
143.03362	1.9
145.02835	1.3
149.02277	1.5
151.00296	2.9
152.54482	1.3
161.02379	1.8
161.04422	3.3
162.33342	1.4
163.11192	4.2
165.12753	2.2
169.01262	1.4
169.12206	2.6
169.51897	1.3
171.10168	20.5
174.03084	1.8
174.82568	1.1
175.03870	4.9
179.05522	1.8
181.12274	1.9
183.13853	1.7
185.11684	1.7
193.12180	1.7
197.11765	18.9
199.13269	4.3
201.11302	10.8
205.05013	1.7
209.11768	100.0
210.12067	5.6
211.13327	9.1
225.11331	2.5
225.14890	1.9
227.10779	1.9
227.12846	25.7
228.13148	2.5
229.14389	6.1
235.08189	10.4
253.09317	20.7
263.77213	1.6
289.07037	1.7
291.19742	1.9
300.02811	1.5
300.99725	4.6
301.03220	1.2
309.20569	5.9
327.21762	51.3
328.21954	4.2
341.23267	15.3
342.23669	2.2
389.40652	1.3
397.13489	4.8
415.14648	1.8
423.05551	1.5
445.20392	4.4
451.10522	1.4
465.16714	1.6
545.29230	2.8
563.30505	3.6
596.58087	1.2
769.37750	2.0
787.37793	1.4
805.38342	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	805.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.9
61.98699	83.9
62.98397	1.0
63.96081	1.8
63.99129	5.5
65.13482	0.8
67.11875	0.7
69.03327	1.6
70.87869	2.3
71.00890	1.2
71.01251	11.5
73.02811	2.1
78.95768	11.4
78.98466	8.4
79.95601	18.7
80.96387	87.6
81.03329	1.2
82.95991	1.1
85.02817	4.1
87.00752	4.0
90.36025	0.8
94.89026	0.8
94.97955	20.3
96.95866	3.3
97.02812	1.8
101.02296	2.6
106.97965	4.2
111.08065	0.9
113.02285	0.8
122.97424	2.6
125.02332	4.7
127.03893	1.4
131.92984	0.9
134.97473	6.0
136.99049	1.6
148.99033	8.1
150.19341	0.8
152.98471	6.7
152.99506	2.4
164.98524	13.3
171.10149	2.2
195.13773	1.2
197.11600	1.0
203.66194	0.8
206.99556	3.2
207.10092	1.7
209.11763	4.0
210.12038	1.0
225.00679	25.8
225.11252	1.8
226.01031	0.8
253.09181	1.0
283.04807	0.8
295.22891	2.0
328.22137	1.0
328.96204	0.8
364.99228	0.8
431.43350	0.9
463.20456	1.1
464.47742	0.9
509.17197	3.8
537.71429	0.9
577.26556	1.7
773.13879	1.0
804.49658	1.2
805.40247	100.0
806.40564	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	805.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.7
61.71793	0.3
61.98698	100.0
62.98402	1.7
62.99125	0.7
63.96103	1.3
63.99122	11.1
65.83427	0.3
69.03323	0.6
70.10072	0.3
71.01247	4.4
72.01574	0.4
72.99172	0.3
73.02818	0.8
78.95780	2.3
78.98465	3.6
79.95601	7.9
80.96384	43.2
81.03336	0.6
81.96354	0.3
85.02822	1.6
87.00757	1.9
94.97958	10.4
95.01240	0.3
96.95901	0.9
97.02811	1.0
99.00799	0.7
101.02302	1.5
106.97954	2.1
108.23553	0.3
113.02280	0.4
115.77624	0.3
122.97455	1.9
125.02348	2.0
127.03883	0.6
127.85168	0.3
134.97443	2.7
136.99040	1.0
148.99054	3.6
152.98514	3.6
152.99524	0.4
164.98537	7.5
171.10091	0.4
195.13783	0.4
202.35872	0.3
206.99680	1.9
209.11754	1.4
225.00688	14.3
226.00920	0.5
271.02618	0.3
283.04922	0.8
509.17111	0.9
577.26422	0.5
805.40399	45.0
806.40643	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	805.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55870	0.5
57.03326	0.6
58.00464	0.9
59.01247	18.7
61.98701	40.7
69.03316	1.7
71.01254	18.2
71.04934	0.5
71.51090	0.6
72.99182	1.2
73.02820	2.8
75.00758	0.8
78.95785	0.6
80.02551	1.5
81.03326	1.8
83.01265	1.9
83.04889	5.1
84.02032	0.9
85.02818	3.7
87.00753	4.6
88.98689	0.8
89.02317	14.9
93.03303	0.8
95.01259	1.5
96.95898	3.2
97.02845	2.5
99.00758	1.1
101.02319	12.9
106.50947	0.5
109.02814	1.2
111.00795	0.6
111.04404	0.9
112.06057	0.5
113.02325	7.8
114.93304	0.8
116.92735	0.6
119.03389	3.6
121.02800	0.7
123.04417	0.6
125.02327	7.8
125.05904	0.5
125.09653	0.6
131.03403	1.0
135.04416	1.6
135.08026	0.5
137.02409	0.8
139.00284	0.6
139.03838	0.6
143.03378	2.8
144.61803	0.5
151.00244	1.3
151.03856	0.6
152.01073	0.6
153.09187	0.6
153.12766	1.4
161.02356	0.9
161.04475	4.2
163.11227	3.6
165.12718	2.3
167.03363	0.8
167.10683	0.5
169.01376	1.2
169.12256	6.6
170.12578	0.5
171.10178	1.6
175.03902	1.7
179.03467	0.6
179.05505	4.3
179.10735	1.0
181.12276	0.7
191.10664	0.9
192.06339	0.5
195.13794	0.5
197.11751	86.2
198.12114	4.5
201.11295	2.9
209.11758	100.0
210.12105	5.4
211.38728	0.6
217.06975	0.5
221.06602	1.6
223.13329	1.9
227.03218	0.5
227.12830	16.5
228.13150	1.0
235.08189	5.5
235.13292	1.2
251.12794	0.6
253.09198	0.5
257.00824	0.7
271.02399	0.9
285.04190	0.5
287.04999	0.6
287.07697	1.9
299.99048	0.6
300.02655	1.1
301.00089	1.2
301.03342	0.6
305.08731	2.5
323.09750	1.1
379.12402	5.3
380.12408	0.9
389.23285	0.6
397.13461	39.1
398.13962	2.9
415.14557	10.7
416.14938	1.1
463.38712	0.5
535.30463	0.6
577.24854	2.0
578.24866	0.6
589.25305	1.2
595.25952	2.8
607.26563	0.7
787.36554	0.5
805.34686	0.9
805.46729	0.7
806.37189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	1.4
59.01248	16.6
61.98700	62.5
69.97130	4.1
71.01248	6.2
78.95776	41.0
79.95605	2.2
80.02546	3.3
80.96388	11.2
81.03320	2.3
83.01249	1.2
83.04884	9.0
84.02026	1.4
94.97961	2.9
95.04902	1.6
97.06471	1.6
99.00720	1.2
113.09602	1.3
117.80273	1.3
125.02349	1.9
125.09569	1.3
135.08032	1.6
148.99036	1.7
152.99504	7.2
163.11201	7.9
164.98540	1.9
165.12737	4.6
168.04211	6.9
171.10167	3.2
181.12302	1.6
191.10664	2.3
195.13838	10.8
197.11682	1.7
209.11757	100.0
210.12059	6.2
211.84464	1.2
223.13286	2.2
224.06813	3.9
225.00644	1.9
225.11162	1.0
226.11987	2.4
227.12831	12.2
228.13109	1.1
241.14417	10.0
268.76086	1.0
277.21750	8.3
291.19897	1.3
292.05389	1.0
295.22760	45.5
296.23157	2.9
311.22226	1.7
520.30463	3.4
641.34467	2.4
659.35699	16.3
660.35455	3.3
685.36945	2.2
730.42944	96.7
731.43121	20.6
744.44684	9.3
745.44189	1.2
804.38348	6.7
805.39764	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	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.2
61.55486	0.1
61.98701	100.0
62.98418	0.1
63.99120	0.1
71.01248	0.4
71.50350	0.1
71.50772	0.2
78.95776	1.1
80.96397	0.6
81.19510	0.1
83.04868	0.1
94.97958	0.1
96.95908	0.1
106.82571	0.1
109.06455	0.1
111.12837	0.1
119.83153	0.1
125.02361	0.2
137.23293	0.1
140.01062	0.1
140.10840	0.1
152.99527	0.3
159.35851	0.1
164.98611	0.1
197.11838	0.2
225.00902	0.1
293.21420	0.1
295.22476	0.2
300.99850	0.1
342.23761	0.1
493.69632	0.1
638.04645	0.1
670.96838	0.1
691.12842	0.1
757.06653	0.1
804.49567	0.2
805.40167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98402	0.2
63.99133	0.1
71.01249	0.1
78.95770	0.4
80.96370	0.3
84.38680	0.1
85.65955	0.1
98.19860	0.1
135.43947	0.1
152.99490	0.1
161.52399	0.1
163.88081	0.1
165.12819	0.1
171.10237	0.1
209.11858	0.1
212.16890	0.1
277.21896	0.1
291.19519	0.1
293.21442	0.1
295.22769	0.1
329.23245	0.1
397.38977	0.1
408.31525	0.1
447.25900	0.1
570.56281	0.1
804.38531	0.1
804.51648	0.2
805.39905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35424	0.6
57.03315	0.8
59.01242	2.2
61.98698	100.0
63.96111	1.5
63.99132	0.7
69.03329	1.3
69.78345	3.5
71.01251	12.8
73.02804	2.2
73.99472	0.7
78.64250	0.6
78.95774	8.8
78.98454	8.7
79.95127	0.7
79.95601	19.8
80.96384	96.8
81.03342	1.5
83.01287	1.0
85.02818	5.2
87.00759	3.8
91.39043	0.6
94.97954	22.9
96.95879	2.2
97.02830	3.1
98.19785	0.7
101.02301	2.9
106.97945	3.7
113.02337	0.8
122.97461	4.7
125.02348	4.2
125.09540	0.7
127.03912	1.6
134.97462	6.6
136.99025	1.8
140.01065	0.8
148.99028	7.7
152.98509	8.5
152.99544	1.9
163.11235	0.8
164.98528	17.0
167.00101	0.8
171.10109	2.5
195.13780	2.4
196.03624	0.7
197.11757	1.1
206.99564	3.6
207.10368	0.7
209.11722	3.8
211.13263	1.7
225.00682	28.5
226.01022	1.0
229.14444	0.9
246.57016	0.6
256.70932	0.6
277.21674	2.7
283.04916	1.2
293.21155	2.2
295.22794	6.3
298.72696	0.6
329.23270	1.6
341.23257	1.1
509.16797	2.5
523.23297	0.6
575.24835	1.4
706.18652	0.7
785.42157	1.0
803.38763	98.6
804.38190	19.1
804.50787	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	803.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
58.39690	0.2
59.00958	0.3
59.01249	6.1
61.98704	1.4
68.19624	0.2
69.03326	0.6
69.78919	1.4
71.01259	4.3
71.04869	0.5
73.02810	0.8
78.95778	0.3
80.96384	0.5
81.13358	0.3
82.96009	0.3
83.01255	0.4
83.04884	0.7
85.02806	0.9
87.00737	0.8
89.02305	2.8
93.03326	0.4
95.01218	0.3
95.04900	0.6
97.02812	0.4
101.01702	0.3
101.02335	3.8
109.06441	0.5
111.08035	8.9
111.08803	0.4
113.02333	2.0
113.09589	0.8
119.03387	0.8
131.03351	0.3
135.11647	0.4
137.09630	0.6
141.09079	0.3
145.04919	0.4
149.09593	0.7
161.04524	1.4
167.10715	2.0
169.12201	0.3
177.12737	2.3
179.05510	0.8
179.10657	1.9
179.14330	0.9
181.12216	0.4
193.15758	0.3
195.13823	13.6
196.14212	1.1
203.14297	0.3
205.12215	0.8
205.15797	0.5
211.13327	0.8
223.13333	5.1
225.14937	0.3
228.13733	0.4
235.08206	2.2
247.20654	2.3
253.09251	14.8
254.09578	0.7
256.13177	0.8
265.21759	0.5
273.18597	1.2
275.20145	5.9
276.20377	0.4
277.21826	0.4
291.19644	100.0
292.19980	9.8
293.21201	82.9
294.21545	8.5
492.21667	0.3
509.27496	0.4
527.28558	6.6
528.28918	1.2
529.30066	1.4
567.40442	0.7
713.39362	0.4
803.49567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98700	100.0
63.96111	1.4
63.99131	0.7
69.03328	0.6
71.01256	5.2
72.08033	0.3
72.95229	0.3
73.02813	1.1
78.95777	6.0
78.98459	3.1
79.87032	0.3
79.95603	7.2
80.96385	41.5
81.03324	0.6
85.02828	2.2
87.00748	1.8
89.02303	0.3
93.29099	0.3
94.97958	8.9
96.95899	0.9
97.02864	0.8
98.19813	1.1
99.00745	0.3
101.02304	1.7
106.97970	1.8
113.02399	0.4
113.09630	0.6
122.97500	1.8
125.02326	2.1
127.11247	0.4
134.97499	3.1
136.99033	1.2
138.55875	0.3
139.11180	0.5
146.97386	0.4
148.99040	3.9
152.98430	2.9
152.99640	1.9
160.98727	0.3
164.98529	6.7
164.99846	0.7
167.00214	0.5
171.10187	2.7
191.84505	0.4
195.13834	1.0
205.12329	0.5
206.99615	1.5
207.10234	0.4
209.11742	1.2
211.13339	1.1
223.13266	2.8
224.13649	0.6
225.00677	11.2
225.11269	0.4
226.00972	0.4
229.87051	0.4
277.21664	0.7
283.04840	0.4
287.16599	1.1
289.17813	0.6
293.21164	1.7
294.21552	0.6
295.22858	2.1
300.99960	0.5
305.17465	1.8
306.17831	0.4
329.23291	1.5
341.23242	0.5
471.34665	1.0
509.16718	1.3
575.25458	0.8
803.38776	41.3
804.38879	8.1
804.51074	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	803.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01241	2.2
61.93276	0.5
61.98700	66.6
63.96117	1.3
69.03321	0.7
71.01254	9.6
73.02816	2.1
75.00744	0.9
78.78500	0.4
78.95773	2.2
78.98462	7.2
79.95603	33.0
80.96387	83.8
81.03337	1.2
83.01258	0.8
83.04916	0.7
85.02821	4.1
87.00742	3.3
88.98682	0.8
94.97959	20.0
96.95883	1.5
97.02821	2.9
99.00749	1.3
101.02320	3.4
106.97960	4.9
113.02312	1.6
115.00271	0.4
117.94315	0.4
122.91469	0.5
122.97468	5.3
125.02325	4.6
127.03909	1.2
134.97475	5.3
136.99051	2.1
142.77431	0.5
148.99043	8.7
152.98511	7.9
152.99564	0.8
161.04482	1.0
164.98540	16.2
171.10242	1.4
181.27888	0.4
188.98582	0.8
195.13788	1.2
197.11832	0.9
200.47282	0.6
206.99626	4.6
207.10179	0.8
209.11774	6.2
211.13431	1.1
225.00696	26.8
225.11453	0.9
226.00987	1.0
227.12854	0.8
229.26489	0.8
241.00119	1.0
277.21854	0.6
283.04962	3.9
293.21201	0.6
295.22830	3.3
309.20615	0.9
311.22092	0.7
341.05463	2.1
355.06961	1.9
404.14069	0.5
409.02881	0.5
425.14969	0.8
509.16931	4.1
575.25287	0.8
581.19000	1.8
595.20215	0.8
609.21777	0.8
623.23816	0.6
637.25195	0.6
651.27728	0.6
659.35748	0.6
665.28632	0.8
705.31622	0.7
730.42999	3.8
771.41290	1.7
803.38806	100.0
804.39178	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	803.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
61.92719	0.5
61.98700	15.1
63.96109	1.4
67.47829	0.5
69.03336	0.7
71.01250	9.1
73.02813	1.7
75.00732	0.7
78.95766	0.7
78.98463	6.2
79.95605	33.8
80.96388	71.5
81.03329	1.3
83.01270	0.7
85.02824	2.8
87.00741	2.6
94.97961	15.5
96.95897	1.3
97.02824	2.4
98.20654	1.1
101.02303	3.1
106.97993	3.1
113.02308	0.7
122.97443	4.2
123.31588	0.5
125.02351	3.7
127.03942	0.7
134.97481	5.6
136.99020	2.1
148.99043	5.7
152.98520	7.0
152.99683	0.7
161.04442	0.9
164.98532	14.4
171.10085	0.8
179.00096	0.8
197.11893	0.7
206.99632	4.2
207.10158	1.8
209.11751	4.6
211.13438	0.6
225.00693	25.2
225.11229	1.3
226.00970	0.7
241.00217	1.6
253.09218	0.8
283.04871	2.5
293.20990	0.9
309.20618	0.7
341.05365	2.3
355.06845	1.9
397.11765	0.7
411.13412	0.5
461.20206	0.7
483.15515	0.8
509.17001	3.2
575.24725	1.1
581.18976	0.9
595.20905	0.7
609.21710	0.7
705.31586	0.7
771.41663	1.7
803.38837	100.0
804.39136	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	803.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	11.8
59.01245	35.2
61.98702	79.9
70.42451	21.1
70.42813	20.8
71.01247	55.4
75.00752	18.5
78.95775	30.5
84.02026	17.2
85.02808	35.6
87.00750	13.1
89.02289	23.2
95.04918	10.5
96.95884	29.5
97.02841	11.9
97.06515	11.8
101.02322	26.0
105.85960	8.5
111.04483	8.8
113.02427	10.3
116.92776	14.8
123.00771	9.3
123.04433	9.0
125.02351	21.5
134.13239	9.6
163.11147	13.2
171.10170	89.4
174.03128	14.6
175.03888	47.9
185.11636	9.3
187.03879	14.5
189.01849	26.7
197.11717	35.6
200.04724	8.8
201.05275	10.5
201.11278	32.2
207.10205	25.2
208.32425	10.4
209.11775	100.0
211.13359	95.7
218.95988	10.4
225.11255	28.5
225.14925	11.8
227.12994	12.0
235.08235	11.5
253.09178	30.6
270.01828	15.6
275.01889	17.3
279.65115	10.0
289.07065	15.3
298.01233	16.8
300.11069	9.4
300.99878	41.7
313.03607	35.2
328.05750	27.8
329.04465	41.8
341.23264	64.9
343.08029	39.4
345.03946	17.7
346.04791	51.2
347.05478	37.8
397.06985	9.8
397.13306	30.1
424.04102	12.0
426.57520	10.5
442.25650	10.3
459.10785	98.8
460.11349	11.3
672.57422	10.2
675.49298	9.8
759.43896	10.4
802.42645	28.8
803.44696	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98420	0.2
71.60257	0.1
83.46249	0.1
84.58507	0.1
96.05930	0.1
98.20651	0.2
123.05712	0.1
140.37790	0.1
167.04929	0.1
188.47214	0.1
196.43701	0.1
327.22025	0.1
328.22327	0.1
355.65247	0.1
457.25946	0.1
603.38074	0.1
802.49689	0.2
803.38678	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	802.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45637	0.1
59.01234	0.2
61.98699	100.0
62.98390	0.1
64.08212	0.1
69.01034	0.1
70.78226	0.2
70.78562	0.1
71.01271	0.4
73.02808	0.1
78.95033	0.1
78.95776	0.6
79.95588	0.2
80.96392	0.4
83.01266	0.1
85.02824	0.2
92.63592	0.1
96.95920	0.1
101.02327	0.2
116.36465	0.1
131.03413	0.3
132.03735	0.2
152.99538	0.1
164.98529	0.1
181.12386	0.1
197.11803	0.6
209.11786	0.2
211.13380	0.2
225.00798	0.2
253.09309	0.1
293.21207	0.3
295.22873	0.4
311.22208	0.8
390.11441	0.1
706.32263	0.1
742.47681	0.3
802.49023	1.0
803.39398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
61.98699	100.0
71.01256	0.6
78.95773	2.0
79.95632	0.2
80.96396	0.6
94.97969	0.3
96.95933	0.2
103.02124	0.2
116.92744	0.2
139.12740	0.2
140.01059	0.4
152.99579	0.4
169.12242	0.3
171.10165	0.5
196.03635	0.2
197.11838	0.6
199.13397	0.3
211.13324	0.8
223.13406	0.3
277.21887	0.2
293.21313	0.7
295.22913	0.6
296.23050	0.3
311.22278	3.1
340.02307	0.2
341.23468	0.5
728.44153	0.2
802.49420	2.5
803.49139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98394	0.1
78.95776	0.2
80.96404	0.2
98.20535	0.1
116.59274	0.1
153.43462	0.0
211.13397	0.1
258.42584	0.0
293.21500	0.1
295.22855	0.2
327.21954	0.1
329.23352	0.1
436.96066	0.0
802.48962	0.4
803.38727	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	801.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.98702	100.0
62.98405	0.3
63.99121	0.3
71.01254	0.7
78.95787	0.8
80.96368	0.2
81.03349	0.2
83.04915	0.3
85.02839	0.2
89.02318	0.3
93.41162	0.1
101.02319	0.2
113.09643	0.2
116.92767	0.3
125.02353	0.2
161.04391	0.2
163.11200	0.3
165.12833	0.3
171.10211	0.4
178.07968	0.2
195.01936	0.2
195.13869	0.6
197.11795	0.3
203.63225	0.2
209.11784	8.7
210.12125	1.3
211.13428	0.2
223.13393	0.3
227.12929	0.9
253.09215	0.8
277.21722	0.4
279.37161	0.2
289.17984	0.2
293.21207	1.2
294.21564	0.3
295.22787	3.8
296.23190	0.3
305.17694	0.2
445.20425	0.2
471.34641	0.2
582.53394	0.2
704.32440	0.2
727.88629	0.2
767.60101	0.2
801.49005	0.8
802.48676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01247	8.3
61.98703	92.0
69.03332	1.3
71.01245	3.4
71.51296	0.9
78.95784	6.4
79.95634	2.0
80.96395	6.5
82.95959	1.4
85.02843	2.3
89.02326	1.9
94.97959	1.6
101.02342	3.1
111.08045	1.0
113.02332	2.1
113.09584	0.8
125.02386	0.9
140.01056	1.2
152.99513	1.4
153.12740	1.3
161.04471	1.8
164.98540	1.1
169.12245	6.0
171.10275	1.8
175.80666	0.8
177.02000	1.0
179.14270	1.1
195.13870	5.8
197.11761	100.0
198.12109	6.0
209.11723	4.5
211.13345	2.5
213.13313	0.9
223.13380	3.8
225.00728	1.9
227.12827	1.4
235.08191	4.7
253.09276	15.1
275.20111	5.0
276.20770	0.9
277.21680	1.7
293.21228	58.6
294.21536	4.9
295.22827	4.5
296.22919	1.0
309.20673	1.2
310.21170	1.2
311.22232	3.3
363.77866	1.0
433.20703	9.8
465.10474	1.1
473.32852	1.3
529.30396	3.4
772.37427	1.0
801.38110	5.3
801.49365	2.9
802.48029	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	801.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
57.77861	0.5
59.01245	3.2
61.98699	21.2
63.96105	1.9
68.88504	0.6
69.03329	1.3
70.15844	2.2
71.01254	10.3
72.99191	0.8
73.02821	2.7
78.95779	0.7
78.98457	8.5
79.95604	15.7
80.96388	89.8
81.03325	1.3
83.01270	0.7
83.04877	1.4
85.02808	4.5
85.66220	0.5
87.00748	4.0
87.04388	0.9
88.35756	0.6
88.98682	1.6
91.75185	0.5
93.03323	0.5
94.97958	21.5
95.01280	0.7
96.95887	3.7
97.02823	3.0
99.00755	0.8
101.02302	4.3
106.97957	3.8
109.02836	1.4
113.02332	1.5
116.92730	0.7
119.55188	0.5
120.71484	0.5
122.97451	3.3
123.00730	0.7
125.02342	7.7
127.03879	1.0
134.97479	6.8
135.02988	0.8
135.04381	0.8
136.99016	1.8
137.02356	1.1
140.63429	0.5
145.02829	0.6
148.99051	8.1
151.00298	0.8
151.03853	1.0
152.98538	7.4
155.60046	0.5
161.02367	0.9
163.03909	0.7
163.11168	0.8
164.98552	15.5
165.01773	0.9
167.00136	0.6
168.00453	0.6
169.01347	1.4
174.03146	1.0
175.02524	0.6
175.03941	1.5
177.01862	0.9
179.03447	1.0
179.17862	0.5
188.98506	0.7
190.02660	0.6
191.05504	1.3
193.01363	0.6
206.99619	3.9
209.11784	8.8
210.12128	1.7
211.13167	0.6
225.00691	30.5
226.01015	0.7
269.17676	0.8
271.05988	0.6
275.01855	1.4
283.05045	0.9
289.07114	1.1
299.99261	0.6
300.02676	0.7
300.99786	1.9
343.28223	0.6
367.63596	0.6
519.31293	0.5
541.19623	4.7
559.20776	0.7
639.35809	0.7
769.33203	1.3
789.39026	0.7
801.35773	100.0
802.36127	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	801.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84407	1.0
69.91914	4.2
85.02810	1.3
88.54936	0.9
90.25581	1.2
95.01251	3.4
109.02821	1.6
117.77048	1.1
119.04884	1.1
123.00770	5.1
125.02325	6.6
132.28535	1.3
135.04411	1.1
137.02330	1.1
139.00314	2.0
140.00995	1.1
145.02849	2.1
156.29807	1.0
157.02820	2.1
159.04425	1.0
161.02299	1.6
163.03941	1.9
166.99699	1.8
169.01341	3.5
173.02280	3.1
175.03984	2.3
177.01817	1.1
178.63055	0.9
184.04788	1.0
185.02370	2.7
189.01727	2.2
190.02557	2.1
190.52692	1.0
191.03502	2.8
200.00989	1.9
201.01791	4.5
203.03377	3.2
217.01283	2.8
218.02284	1.2
228.00441	1.1
229.01372	8.4
230.01888	1.7
231.02991	4.8
243.65143	1.1
245.00883	3.9
247.02377	3.6
249.04018	4.4
257.00809	6.0
258.01434	2.5
259.02518	1.9
270.98773	2.9
273.00381	2.1
274.01260	7.1
275.01947	17.4
283.99664	2.4
285.00348	3.6
298.98331	4.0
299.99078	18.3
300.99881	100.0
302.00266	7.8
425.01505	4.7
444.02863	1.4
445.04117	3.0
463.05090	1.9
613.04730	10.6
614.04889	3.3
628.80908	1.2
631.05841	4.1
631.96716	1.6
632.06506	20.1
633.07184	30.4
634.07520	3.9
649.31116	1.5
757.09412	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	801.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54436	0.9
69.27695	1.6
69.28103	7.3
71.01244	1.1
77.20325	1.0
95.01263	3.4
123.00783	6.1
125.02361	5.2
137.02209	0.9
139.00279	1.0
145.02855	2.9
147.04387	1.7
157.02831	1.0
161.02344	2.9
163.03900	2.1
169.01331	4.3
171.00932	1.1
173.02322	2.8
175.03888	2.6
177.01819	1.7
178.76416	0.9
185.02403	2.7
189.01891	2.8
190.02606	2.7
191.03386	2.1
200.01044	2.0
201.01894	4.8
202.02513	1.5
203.03418	3.6
213.01915	1.6
216.00555	1.8
217.01416	2.1
218.02264	1.8
219.02853	1.9
229.01355	8.6
230.02103	1.6
231.02992	7.1
242.99339	2.4
244.00067	2.0
245.00793	4.6
247.02478	4.9
248.03079	1.1
249.04013	8.2
257.00870	5.5
261.00214	1.2
270.05182	0.9
270.98853	3.9
273.00378	5.5
274.01157	7.7
275.01907	16.2
276.02444	1.1
283.99597	3.7
285.00357	4.2
298.98285	7.4
299.99100	22.3
300.99875	100.0
302.00235	8.8
405.21835	1.1
425.01563	4.8
426.01520	1.1
445.03967	4.2
456.64923	1.2
463.05148	2.3
605.07764	2.2
613.04675	20.3
614.04962	3.9
631.05865	6.5
632.06451	18.2
633.07104	32.3
634.07819	4.4
757.08716	17.5
758.09290	4.3
764.21582	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	800.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
61.98701	100.0
62.98396	0.1
67.07714	0.1
71.01264	0.3
71.49558	0.1
78.95776	2.2
78.96218	0.1
78.98448	0.1
79.95613	0.2
80.96387	1.4
81.03359	0.1
83.04856	0.1
84.99743	0.1
85.81034	0.1
94.98010	0.1
96.96842	0.4
101.02343	0.1
111.07507	0.1
117.03374	0.2
125.02297	0.1
136.69957	0.1
148.99057	0.1
152.98465	0.1
152.99498	0.7
164.98642	0.2
167.10678	0.1
195.13765	0.2
197.11813	0.2
201.11241	0.8
202.11559	0.3
203.74275	0.1
209.11757	0.8
210.12195	0.2
211.13399	0.1
223.13374	0.3
224.13786	0.2
225.00655	0.4
226.01137	0.1
241.01173	0.5
242.01532	0.2
255.23302	0.4
256.23648	0.3
257.65973	0.1
277.21716	0.1
289.18164	0.1
291.19745	0.4
293.21234	0.8
295.22842	0.4
296.23300	0.1
309.20645	0.1
311.22284	0.2
340.99255	0.1
633.38239	0.2
782.40259	0.5
799.42468	0.1
800.42572	3.0
801.41772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.1
61.98701	100.0
62.43188	0.1
62.98397	0.2
71.01250	0.1
78.95782	0.3
116.92715	0.5
140.01125	0.1
147.22710	0.1
152.99472	0.1
177.63510	0.1
197.11853	0.2
209.11772	0.6
210.12192	0.1
211.13496	0.3
212.13704	0.2
227.12752	0.1
253.09303	0.2
293.21371	0.3
294.21591	0.2
295.22668	0.2
309.20856	0.2
310.34644	0.1
311.22418	0.3
352.78763	0.1
800.47864	0.4
801.48901	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.1
59.01250	0.4
61.98699	100.0
71.01255	0.5
71.30940	0.2
75.00737	0.3
78.95776	0.5
79.95605	0.4
80.96387	0.9
85.02840	0.3
94.25359	0.1
94.97984	0.3
99.00772	0.1
101.02307	0.1
103.98943	0.1
109.06440	0.1
113.02345	0.3
113.09615	0.2
125.02333	0.3
131.03432	0.2
140.01129	0.2
140.35539	0.1
150.48776	0.1
152.99519	0.2
165.12769	0.1
171.10188	0.2
195.13876	0.2
197.11734	0.2
207.10260	0.2
209.11780	0.8
210.12067	0.1
211.13275	0.5
212.13628	0.1
223.13297	0.1
225.00772	0.3
227.12811	0.1
291.19748	0.4
293.21204	0.7
294.21606	0.2
300.99835	0.2
309.20657	0.2
311.22229	0.2
327.21735	0.2
442.95227	0.1
751.39740	0.3
800.47046	0.7
801.36469	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	800.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
61.98700	100.0
70.71276	0.3
71.01266	0.4
78.95771	0.6
80.96390	0.2
87.00733	0.1
89.02348	0.1
101.02357	0.3
116.92803	0.2
125.02316	0.2
131.03412	0.2
140.00996	0.1
146.09236	0.1
151.03883	0.1
152.99405	0.1
171.10184	0.2
183.57323	0.1
193.12418	0.1
195.13776	0.2
196.35640	0.1
197.11786	0.5
209.11758	1.8
210.12123	0.4
211.13376	0.7
212.13626	0.2
223.13458	0.1
227.12692	0.2
253.09320	0.3
275.01901	0.1
277.21909	0.1
291.19687	0.2
293.21286	0.9
294.21555	0.5
295.22711	0.8
300.99701	0.1
309.20682	0.5
310.21042	0.2
311.22473	0.1
740.47168	0.2
800.47260	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	800.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
61.98699	100.0
62.98405	0.2
69.23158	0.5
69.23567	0.1
71.01247	0.1
74.55470	0.1
89.02309	0.1
94.00626	0.1
94.98007	0.1
96.95904	0.2
98.19840	0.1
101.02317	0.1
109.02795	0.1
110.85741	0.1
116.92786	0.1
119.04912	0.1
125.02361	0.3
133.02841	0.1
135.04446	0.1
136.28940	0.1
137.02361	0.1
145.02869	0.1
163.04019	0.1
169.01328	0.1
174.03148	0.1
175.03938	0.2
177.01912	0.1
191.05553	0.2
209.11801	0.2
225.11267	0.1
298.98337	0.1
300.02866	0.1
300.99893	0.2
329.04156	0.1
334.77045	0.1
385.06339	0.1
517.82611	0.1
747.08533	0.1
800.40497	0.1
801.30963	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	799.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.7
59.01245	16.2
61.98701	100.0
69.03323	0.9
69.25557	3.5
69.25982	4.4
71.01254	41.3
72.99197	1.7
73.02437	1.4
73.02820	11.4
73.25047	0.8
75.00722	0.9
78.95787	3.8
80.96370	1.3
82.42122	0.7
83.01255	7.7
83.04876	1.3
85.02820	23.8
86.03163	1.0
87.00732	1.4
89.02342	1.5
96.95850	1.0
96.96789	0.8
98.20625	1.6
99.00739	4.7
101.02319	11.9
111.08032	0.9
113.02334	5.9
131.03394	41.4
152.99544	0.8
171.10194	1.0
183.13751	1.2
185.11847	0.9
185.13541	0.7
195.13797	1.7
197.11740	3.8
198.12041	1.9
209.11801	11.9
211.13342	10.5
215.21184	0.9
222.19766	0.9
227.12868	2.9
243.61676	0.8
253.09230	2.3
275.01794	0.9
289.18207	1.0
291.19556	2.4
293.21213	9.8
294.21313	1.0
300.99896	1.6
309.20685	6.3
310.21097	1.7
311.22073	1.1
607.42175	9.8
608.42896	1.9
649.43494	1.1
651.41229	4.9
739.46362	53.4
740.46826	13.7
799.46576	4.2
800.47345	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	799.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.2
58.00447	0.6
59.01251	7.8
61.98700	100.0
64.04313	0.4
68.99704	0.5
69.03334	1.0
69.22599	4.5
71.01250	33.5
72.99191	1.0
73.02814	9.1
75.00748	0.5
75.58599	0.4
78.95800	2.4
79.95584	0.5
80.96384	0.6
81.06981	0.8
83.01254	5.3
85.02818	19.2
85.99977	0.4
87.00745	0.8
87.97051	0.4
89.02324	2.1
94.55708	0.5
96.95909	0.9
99.00739	4.3
101.02316	4.9
107.04715	0.4
110.12529	0.4
113.02314	4.6
125.02351	0.5
131.03395	16.0
140.01059	0.6
152.99525	0.7
164.08228	0.4
171.10211	1.5
197.11728	0.7
199.13193	0.6
209.11743	3.3
210.12079	0.7
211.13416	1.6
223.13313	0.5
227.12894	1.1
229.14384	0.7
246.99348	0.4
253.09210	0.7
275.20154	0.6
291.19751	0.9
292.20047	0.5
293.21216	6.0
309.20642	0.7
327.21661	3.3
357.28012	1.0
373.27383	0.9
375.29007	45.9
376.29291	4.8
457.37021	0.6
461.36337	0.8
475.37500	0.9
507.33176	5.7
535.81464	0.5
551.32196	4.7
552.32507	0.9
562.46979	0.5
586.55438	0.5
589.41315	0.9
607.42181	17.7
608.42725	3.0
635.00549	0.6
639.35321	0.4
721.45032	1.0
739.46338	57.4
740.46686	15.0
799.43555	0.8
800.47107	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	799.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.6
61.98688	10.3
63.38758	1.6
70.52014	4.2
70.52370	3.6
71.01260	4.1
72.08392	1.9
77.44237	1.7
77.46883	1.8
83.01234	2.0
83.04903	2.8
89.02316	3.5
98.20476	2.3
101.02338	3.8
113.02338	2.1
163.11060	2.8
165.12753	1.9
170.52260	1.8
171.10201	2.0
195.13788	7.7
209.11775	96.1
210.12094	6.8
211.13260	1.8
223.13303	5.9
227.12885	13.1
228.20457	1.9
239.12889	2.0
253.09251	22.6
275.20135	9.7
293.21219	100.0
293.95651	1.9
294.21521	9.1
529.30243	2.8
789.53870	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	799.4141
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01235	1.7
61.98704	1.8
62.23497	0.5
63.96102	2.2
69.47672	1.6
69.48098	3.2
71.01249	10.8
72.99178	0.8
73.02823	2.1
78.95773	1.9
78.98460	9.1
79.95606	18.9
80.96386	100.0
81.03321	1.5
81.06483	0.5
81.95197	1.2
81.96374	0.5
82.95978	4.7
85.02800	4.2
87.00748	4.3
91.40343	0.6
94.97952	23.4
96.95864	1.6
96.96894	1.0
96.97536	1.0
97.02810	2.0
99.00741	0.7
101.02322	2.5
106.97958	4.9
122.97491	4.3
124.66125	0.6
125.02323	4.4
127.03900	1.8
134.97446	7.4
136.99004	2.3
138.99869	0.6
148.99046	9.0
152.98523	8.2
164.98540	17.4
165.98732	0.8
167.00140	1.0
171.10210	1.5
188.98651	0.8
206.99669	3.3
225.00688	29.0
226.00957	1.7
227.00339	0.7
241.03622	0.6
255.23148	2.4
374.36264	0.7
453.14209	2.3
498.78793	0.6
525.16504	1.1
530.74506	0.6
537.27191	2.3
539.35632	0.6
709.38354	69.2
710.38678	14.4
737.37543	0.8
781.40411	17.2
782.40765	3.4
798.44330	0.8
799.41852	50.2
800.41913	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	799.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
59.01236	2.5
61.98701	22.8
62.18371	0.6
62.95771	0.5
63.96104	1.4
65.70478	0.5
69.03307	1.1
71.00893	1.1
71.01251	11.7
73.02808	2.0
75.00730	1.0
78.95770	3.2
78.98456	5.7
79.95119	1.2
79.95602	32.8
80.96386	78.0
81.03291	1.0
85.02826	4.2
87.00741	3.1
89.02314	0.7
94.97958	15.4
96.95857	2.2
96.96813	0.7
97.02809	2.3
98.20683	1.4
99.00732	0.9
101.02315	2.9
106.97969	3.9
122.97473	4.7
125.02319	4.3
127.03902	1.3
131.03349	0.8
134.97467	5.6
136.99030	2.5
148.99033	7.2
152.98511	6.0
152.99512	1.2
163.35936	0.7
164.98520	11.8
171.10088	0.7
195.13840	1.6
197.11722	2.9
199.13219	1.0
206.99599	3.6
209.11771	1.6
223.13292	1.9
225.00676	22.5
227.12885	1.2
229.98958	0.9
253.09218	1.0
283.04901	2.9
289.18268	0.7
291.19635	2.7
293.21152	5.8
341.05502	1.2
355.06937	0.8
397.11865	0.8
411.13065	1.0
505.17581	3.7
575.24994	1.3
577.19818	1.4
593.48834	0.7
605.23053	1.1
607.41492	0.9
619.23834	0.9
661.28723	0.8
701.32428	0.9
739.46130	2.5
781.45166	1.3
799.39380	100.0
800.39465	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	799.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.4
61.98707	4.7
65.00187	4.5
71.01247	4.9
71.38486	3.8
73.02837	2.1
73.94530	1.7
79.10953	1.4
80.16560	1.4
83.01279	3.1
85.02821	2.1
87.00748	1.9
93.03358	4.5
95.01254	1.7
96.95885	5.2
107.01270	6.8
108.02048	2.1
109.02842	4.6
117.03355	2.1
119.04929	1.9
121.02843	2.4
123.00796	2.4
125.02322	12.6
126.96460	1.7
133.02847	2.6
135.02902	2.8
135.04427	4.3
137.02328	6.1
145.02858	4.7
147.04436	2.1
148.68845	1.6
149.02345	3.5
151.00270	14.1
151.03987	2.7
161.02327	6.2
163.00319	2.5
163.03944	2.8
164.01082	1.8
165.01804	5.4
166.02551	2.9
167.03407	2.7
169.01350	6.4
173.02367	4.6
173.04422	3.0
175.03940	4.1
177.01834	5.2
178.99780	6.8
179.03421	2.3
189.01920	3.5
191.05530	5.5
193.01282	2.1
195.06543	1.8
203.03333	2.1
214.99875	1.7
217.01410	2.3
225.05330	2.1
226.02724	2.7
227.03467	2.6
228.00514	2.3
229.01395	3.5
229.04993	3.9
231.03061	2.1
237.05577	4.8
242.02058	2.4
243.03015	3.0
251.03381	1.8
255.02908	8.5
263.03464	8.1
265.05063	3.9
270.01508	1.9
271.02423	9.1
272.02859	1.6
275.01883	2.9
285.04254	2.9
289.07037	2.3
291.02866	8.0
292.03809	5.0
293.04532	2.9
299.01956	19.0
300.02710	20.8
300.99890	8.0
301.03375	39.8
308.03098	4.4
309.04013	45.8
310.04544	7.2
312.81348	1.7
321.04169	2.0
335.05386	2.6
339.06320	2.1
343.24991	1.8
355.05930	2.0
367.06210	2.1
369.07706	1.9
382.04758	2.6
383.05597	4.1
399.05032	3.0
411.05154	5.9
413.06497	2.9
429.06226	10.1
439.04578	9.1
440.05164	2.2
441.06250	3.0
456.04950	3.7
457.05643	100.0
458.05811	9.6
461.07541	2.2
463.08813	49.0
464.09198	6.0
469.05551	3.8
472.04156	2.9
486.05878	4.1
487.06729	19.1
488.07126	2.1
504.06882	3.0
619.10791	19.1
620.11493	2.3
636.11084	27.0
637.11914	8.9
649.12421	2.8
667.13245	4.6
799.16742	18.3
799.29626	3.3
800.17450	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	799.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14259	1.5
57.86925	1.6
59.01238	2.7
62.51277	1.3
63.02253	1.5
69.31820	4.5
69.32233	9.4
71.01253	2.3
77.81007	1.3
83.01259	1.9
107.01247	3.6
109.02832	2.5
113.22450	1.6
123.00761	2.3
124.01591	1.7
125.02333	10.2
135.04433	2.3
137.02335	2.1
140.21849	1.4
148.01500	1.5
151.00261	12.8
151.03893	2.2
152.01057	4.3
158.85460	1.5
161.02324	3.1
163.00282	1.9
163.03906	1.6
169.01314	10.7
173.02260	2.3
175.04050	1.5
177.01779	1.5
178.99757	15.6
181.95848	1.6
187.03790	1.6
191.05547	2.6
193.01318	2.4
225.05380	3.6
236.04552	2.0
237.05515	5.1
263.03458	10.5
264.04102	6.0
265.04950	6.7
271.02444	1.9
279.02966	2.1
280.03720	5.2
281.04514	6.6
287.01880	1.7
289.07208	3.2
291.02948	10.4
292.03848	7.7
293.04459	6.1
300.99817	4.2
308.03232	9.7
309.04031	100.0
310.04428	12.8
311.01941	2.1
311.05453	2.0
316.02228	9.5
317.02798	3.8
319.02301	2.6
320.03174	2.0
321.04120	7.1
336.02972	2.4
337.03427	3.4
345.15588	3.4
346.16000	2.0
350.04144	2.1
355.06580	2.0
357.09796	4.6
385.03622	2.8
399.04959	3.9
427.04395	7.8
428.04794	2.0
441.08032	4.9
445.05505	2.5
454.03094	2.5
455.03827	9.0
456.04449	3.5
463.08527	5.8
472.04218	8.6
473.05109	41.4
474.05350	5.5
491.05698	4.6
636.01361	1.3
636.11194	38.8
637.11859	53.2
638.12207	6.5
649.11810	3.9
654.54968	1.7
799.17236	33.1
800.18274	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	799.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.9
61.98698	1.5
63.02264	1.6
65.00192	3.9
71.01257	0.7
71.50768	0.9
78.64721	0.7
79.29552	0.7
83.01259	2.6
89.32601	0.8
89.53660	0.6
93.03344	0.8
95.01268	1.2
96.95885	1.4
107.01270	5.5
109.02832	2.6
111.00735	1.0
117.03333	0.9
121.02850	2.1
123.00733	1.0
125.02329	3.4
133.02750	1.1
135.03009	0.9
135.04388	1.3
137.02319	2.0
138.03116	0.9
145.02849	2.2
149.02333	1.0
151.00281	13.2
151.03925	0.9
158.03561	0.9
159.04436	1.3
161.02310	4.2
163.00270	1.8
165.01839	3.1
166.02580	1.3
167.03391	1.6
169.01357	2.2
171.04399	0.9
173.02304	2.2
175.03687	1.1
177.01852	1.6
178.99762	6.3
183.04399	1.4
185.02307	0.9
189.01845	2.0
191.03407	0.9
191.05499	1.8
193.01410	1.2
203.03625	1.0
211.03973	2.7
225.05626	0.9
226.02654	1.3
227.03487	2.3
229.01384	1.3
229.04816	1.1
235.03928	1.1
237.05594	3.9
242.02180	1.3
243.02927	3.0
249.05399	0.9
253.05000	1.8
254.02287	1.3
255.02943	8.3
263.03549	6.7
264.04105	3.2
265.04990	3.0
270.01700	1.4
271.02493	12.4
277.05035	2.1
282.01941	1.0
283.02444	2.3
284.03235	0.9
285.04056	2.5
291.02975	3.0
292.03741	3.0
293.04465	1.3
298.98718	1.7
299.01978	20.4
299.99567	0.8
300.02701	24.7
300.99991	2.0
301.03488	35.9
302.03903	2.7
308.03195	2.3
309.04034	34.0
310.04532	5.5
311.06723	0.8
315.01520	1.0
315.05219	1.1
321.03995	1.4
327.06696	1.0
338.05722	1.2
343.06155	1.4
347.01889	1.0
354.05460	1.0
355.06116	2.5
367.06128	2.4
371.05453	0.9
382.04901	2.8
383.05560	3.5
385.07318	1.6
397.03104	1.0
398.04282	1.1
399.05075	1.5
411.05115	9.7
412.05566	1.4
413.06876	1.0
427.04111	1.0
428.05164	1.5
429.06094	13.8
430.06427	2.1
439.04568	9.4
440.05396	3.5
441.05923	2.1
456.04993	2.4
457.05615	100.0
458.06006	13.0
461.07236	1.6
463.08749	36.1
464.08997	4.0
468.04568	1.5
469.05768	1.7
471.12640	0.9
486.05811	3.4
487.06528	9.9
499.06821	1.2
548.56299	0.7
619.10846	11.1
620.11066	1.8
636.11218	16.5
637.11945	9.6
649.12396	1.4
667.13037	2.1
738.38501	0.9
799.16718	12.4
799.29663	1.0
800.17291	1.5
810.43475	0.9
820.39563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98403	0.1
81.31850	0.1
94.84825	0.1
98.19828	0.2
105.01494	0.1
112.57429	0.1
155.43242	0.1
210.26149	0.1
223.13390	0.2
224.13799	0.1
294.21643	0.1
344.66690	0.1
593.89490	0.1
644.91608	0.1
645.02820	0.1
828.17920	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	799.081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
63.02254	0.2
64.12922	0.1
65.00188	0.1
69.44629	1.0
71.01244	0.2
79.95607	0.2
83.01262	0.3
91.01746	0.4
93.03323	1.7
96.95826	0.1
107.01271	1.5
108.86404	0.1
109.02818	0.8
117.03334	0.4
119.01271	0.2
119.04848	0.1
121.02839	0.2
123.00719	0.1
125.02325	0.2
130.04102	0.2
131.04857	0.2
133.02859	0.1
135.00761	1.1
135.04344	0.3
137.02283	0.4
137.88486	0.1
141.06976	0.3
143.04932	0.9
145.02837	0.2
145.06458	0.3
151.00276	0.4
153.01793	0.5
154.04144	0.3
155.04909	0.3
156.05827	0.1
157.06451	0.5
158.03554	0.2
159.04437	1.2
161.02338	0.4
163.00273	2.1
164.00743	0.2
165.01820	0.5
167.04922	0.6
169.06491	1.0
171.04446	0.7
172.27354	0.1
173.02254	0.2
173.05956	0.3
174.03113	0.2
183.04356	0.3
184.05067	0.2
185.06017	3.1
186.06303	0.1
187.03928	3.5
188.04256	0.2
188.05823	0.1
189.05525	1.1
191.05490	0.2
192.00571	0.2
195.04501	0.9
196.05072	0.2
197.06013	1.1
198.03120	0.3
199.03999	0.8
201.05556	0.7
211.03951	1.8
212.04565	0.4
213.05493	2.4
214.02614	0.3
214.05800	0.1
215.03369	0.5
217.04935	0.1
223.03960	0.4
224.04649	0.1
226.02777	0.2
227.03441	2.5
228.03876	0.2
229.05009	13.6
230.05377	0.8
239.03452	1.5
240.04172	1.0
241.05038	1.8
242.05278	0.2
243.03062	0.6
247.02252	0.1
255.03000	0.9
256.03714	1.0
257.04517	6.1
258.04852	0.4
267.02985	1.1
268.03461	0.2
271.02509	0.3
277.07254	0.1
285.04019	100.0
286.04370	8.7
286.06906	0.1
300.02673	0.5
301.00037	0.2
301.03345	0.3
364.99680	49.8
365.99976	4.6
433.07599	0.4
783.69769	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	797.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20348	0.4
59.01250	0.7
61.98694	0.8
63.96104	2.2
69.03316	1.1
70.05965	1.2
70.06359	0.8
71.00900	0.8
71.01254	9.7
73.02812	1.9
74.81480	0.4
78.95775	5.0
78.98463	8.0
79.95605	18.1
80.96388	90.9
81.03339	1.1
83.01257	0.5
85.02827	3.4
87.00751	3.0
89.02337	0.6
94.97960	21.0
95.01269	0.8
96.95885	1.5
96.96818	0.9
97.02808	2.5
99.00771	1.1
101.02314	2.8
106.97954	3.5
113.02287	0.8
122.97459	4.5
125.02339	4.1
127.03868	1.4
134.97470	6.4
136.99080	2.3
148.99055	8.2
152.98540	8.5
152.99522	0.5
163.11208	0.8
164.98550	16.3
167.00063	0.7
206.99591	3.7
207.10143	1.2
209.11758	2.1
225.00688	26.0
225.11238	1.3
226.00810	0.5
241.01163	2.9
246.54433	0.5
251.22781	0.6
255.23271	4.2
270.49872	0.5
351.52884	0.5
398.28598	0.5
537.27411	2.2
541.19421	3.0
573.72717	0.7
628.16016	0.6
746.75391	0.5
765.40826	0.8
779.39502	5.8
780.39935	1.1
797.43542	100.0
798.43848	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	797.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.7
61.98691	11.4
63.94855	1.8
71.01249	7.5
71.49603	3.1
78.95776	8.1
87.00784	2.0
89.02324	2.3
89.45197	1.8
92.09949	1.6
97.02820	3.5
97.06464	2.9
99.00749	9.3
101.02303	4.3
109.06528	2.3
113.02336	2.3
116.92774	2.3
123.04420	2.8
125.02376	1.9
125.09628	4.1
131.03424	2.0
163.11183	7.5
179.10922	1.8
181.12320	12.4
195.13812	8.2
195.96805	1.8
197.11729	8.0
207.10199	37.2
208.10570	2.6
209.11774	6.9
223.13370	6.8
224.92932	2.0
225.11273	67.2
226.11620	3.3
243.12396	9.4
253.09158	8.6
256.13141	3.3
275.20160	4.8
291.19794	5.3
293.21207	100.0
294.21552	10.7
309.20572	6.3
357.85477	1.9
357.90491	2.3
461.20187	17.2
501.32068	2.7
737.41211	46.0
738.41632	10.6
798.45917	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	797.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.1
59.01249	18.2
61.98707	20.0
67.52677	1.1
69.03350	2.0
69.19890	8.1
69.20313	4.0
69.96022	1.0
71.01260	7.2
72.99174	1.5
73.02820	1.3
78.95764	7.9
81.03360	2.3
83.04893	1.5
84.18378	1.1
85.02811	2.7
87.00749	1.3
89.02323	3.3
96.95880	1.3
97.02842	4.5
98.20528	2.0
99.00793	1.2
101.02309	6.7
109.06481	19.6
113.02322	2.3
123.04424	1.9
125.02345	1.2
131.03381	2.3
135.08051	1.4
136.05226	1.3
142.02612	1.7
150.67813	1.4
159.82721	1.2
161.04437	2.3
163.03883	1.2
163.11191	8.8
167.10706	1.5
168.04205	1.4
169.80278	1.2
176.01242	1.2
179.10846	1.3
179.14287	1.4
181.12268	2.6
189.09084	2.2
195.13789	14.3
197.11726	1.3
205.12274	4.4
207.10205	59.5
208.10573	4.5
209.11792	5.6
223.13348	25.9
225.11261	20.3
226.11702	1.5
228.13571	1.3
235.08150	2.8
247.01842	1.2
253.09286	20.8
275.20096	6.3
291.19604	4.0
293.21228	100.0
294.21652	8.9
301.00021	1.5
309.20673	3.2
443.19183	3.4
461.20676	5.5
493.88394	1.3
529.29767	2.0
563.22150	1.5
564.22870	1.4
719.40015	2.0
724.41943	23.4
737.41174	33.6
738.42212	6.9
797.44720	2.2
798.45966	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	797.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97795	0.4
59.01260	3.6
61.98713	6.4
65.00182	1.7
69.72672	1.0
69.73076	2.7
71.01255	2.8
72.99174	0.6
75.00736	1.4
78.95755	1.3
85.02797	0.5
88.98666	3.2
89.00201	0.7
89.02318	1.5
90.24232	0.5
93.03350	0.6
94.33209	0.5
95.01232	0.6
96.95894	1.5
97.02837	1.6
98.20478	0.7
101.02331	1.0
101.92317	0.5
109.02826	2.0
109.99964	0.7
111.00748	0.5
113.02326	0.5
116.92734	0.8
117.03416	0.6
119.03374	0.6
121.02813	2.6
125.02312	1.8
136.98738	0.8
137.02327	0.7
144.12244	0.5
145.02841	2.5
145.78302	0.4
147.04504	0.5
151.00323	1.0
153.05431	0.5
161.02361	2.0
161.05948	0.7
161.39632	0.5
163.00299	1.1
165.01837	10.6
166.02371	1.0
173.02362	2.3
174.03087	1.2
175.03874	4.0
177.01787	0.6
181.57065	0.5
187.03896	0.5
189.01898	1.8
193.01279	0.6
205.05128	0.5
206.02138	0.5
209.11780	1.4
212.04701	1.0
221.06339	0.5
226.02719	1.5
227.03407	1.6
229.01184	0.9
233.05956	0.8
242.02213	1.1
243.03033	0.9
249.05457	1.3
254.02217	1.6
255.02945	3.9
256.03760	0.9
269.04486	1.6
271.02515	9.3
272.03113	0.6
275.01974	1.0
277.05057	1.9
284.03259	0.8
297.03952	0.9
298.98688	0.5
299.01981	13.6
299.05588	5.4
300.02682	4.6
300.99857	1.7
301.03134	1.2
313.03549	4.8
314.04300	18.1
315.05096	26.8
316.05307	1.6
326.05814	0.7
327.06912	1.0
328.07184	0.6
338.05869	0.6
340.07245	0.5
343.05759	0.9
353.04459	2.0
354.05444	1.1
355.06161	1.2
356.06921	0.9
357.26529	1.1
366.05228	1.0
367.06125	0.6
368.06754	0.8
371.05707	2.0
372.06299	0.6
381.03915	1.1
382.04910	2.9
383.05466	1.6
396.06583	0.6
397.07101	1.0
399.04697	4.2
399.09442	0.8
400.05621	1.7
401.06143	0.7
410.04391	4.0
411.04907	2.3
412.05923	1.7
415.08228	0.7
425.06638	5.5
426.07068	1.1
427.04300	3.2
428.05197	2.8
438.03711	0.6
439.04404	1.0
443.07684	10.6
444.08154	1.6
453.06064	11.6
454.06570	2.7
455.03867	0.8
456.05078	2.7
461.10892	51.3
462.11240	5.4
470.06369	1.2
471.07190	100.0
472.07513	15.4
543.43774	0.7
586.81226	0.6
617.12805	9.7
618.13470	1.3
782.39343	0.6
797.33173	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	796.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.6
61.40430	1.8
61.98383	2.8
61.98697	40.7
71.01247	6.4
71.50484	2.3
75.02227	1.9
78.95776	55.6
78.98447	6.9
79.95606	15.2
80.95914	3.2
80.96386	57.5
81.03336	3.4
83.01248	4.1
83.04894	6.7
84.02045	1.8
85.02808	3.0
87.00758	1.9
94.97957	11.2
95.04910	2.3
96.96849	3.4
97.02876	1.7
122.97493	3.2
122.98332	1.8
124.99965	5.8
125.09620	5.8
131.94524	1.5
134.97412	2.0
148.99033	4.3
152.98492	5.4
152.99591	10.2
163.11191	8.6
164.98547	9.4
168.04218	7.6
171.10164	2.0
181.12311	2.0
191.10741	6.8
199.09666	3.8
199.13362	2.1
206.99620	2.8
207.10083	3.8
209.11772	78.7
210.12085	4.8
223.13306	6.7
224.06813	4.1
225.00694	18.4
225.11276	4.4
226.12126	12.0
227.12866	8.8
241.01227	8.9
241.14407	57.4
242.14851	3.2
255.23271	100.0
256.23547	8.7
292.97922	1.8
320.77426	1.7
391.21829	2.2
391.67725	1.7
396.39935	1.7
399.06604	2.2
419.25616	2.7
476.08054	2.2
480.30862	6.0
537.26947	2.4
619.36206	7.4
645.37976	5.3
690.43433	6.3
691.43579	2.9
704.44958	49.5
705.45978	8.8
722.46021	31.4
723.46252	8.2
750.89301	2.1
779.39142	21.0
796.41809	20.5
797.40527	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75797	0.2
59.01237	0.8
60.47265	0.2
60.99178	17.3
61.98703	2.4
70.91495	0.5
71.01265	1.6
72.99169	0.4
85.02851	0.2
87.00763	1.2
88.00292	1.4
88.98679	100.0
89.02315	6.5
89.99017	1.0
91.18130	0.2
96.95889	0.9
97.02870	0.2
98.95504	0.2
101.02324	0.6
101.60127	0.2
108.02075	0.4
109.02843	0.5
111.00776	0.3
116.92686	0.2
119.03366	0.4
123.04422	0.4
125.02344	0.9
135.04407	0.3
136.01555	0.2
137.02341	0.4
141.71231	0.2
145.02866	0.3
147.04491	0.3
149.02362	0.2
150.03108	0.3
161.02391	0.3
161.04483	0.2
165.05518	0.3
169.01318	0.7
171.10193	0.2
174.03105	0.3
175.02521	0.2
175.03889	1.1
179.05568	0.4
193.01367	0.3
195.06606	0.2
209.11804	3.1
210.12099	0.4
225.11191	0.2
227.12798	0.5
239.96259	0.2
243.14160	0.2
253.09367	0.3
265.14673	0.3
275.01938	0.3
289.07074	0.3
300.99911	0.5
323.09927	0.4
357.29150	0.2
359.14938	0.2
471.34753	7.9
472.35153	1.3
795.34698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4408
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03337	0.6
59.01235	1.1
60.20520	0.6
63.96119	1.3
69.03298	0.9
71.01255	8.3
73.02802	1.7
78.98464	6.2
79.95603	12.7
80.96388	77.6
81.03331	1.6
85.02816	3.7
87.00756	2.5
94.97957	18.4
96.95889	1.1
97.02840	1.6
101.02319	2.2
101.06406	0.5
106.97983	3.2
117.22532	0.7
122.97451	3.9
125.02356	3.7
127.03863	0.9
134.97484	6.5
136.99011	0.9
148.99046	7.5
152.98540	6.7
164.98541	13.7
206.99628	3.9
209.11728	1.8
225.00699	24.8
283.04874	0.6
283.26376	1.4
344.41812	0.6
509.17053	4.3
565.30188	1.0
672.61676	0.7
769.39465	0.6
793.44049	100.0
794.29486	1.1
794.44342	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.3
59.01252	5.2
61.60303	1.9
61.98705	9.6
71.01256	5.8
71.04936	2.0
71.05277	3.2
78.95775	14.1
83.04923	2.4
85.02823	2.4
85.83488	1.7
89.02303	2.9
95.04911	1.7
101.02319	4.0
109.06483	3.1
113.09634	8.1
125.02341	4.6
149.88544	1.6
152.99493	4.7
161.04420	2.1
161.31931	1.6
163.11206	2.1
165.12846	2.2
171.10179	5.1
179.10695	1.6
195.13824	3.9
197.11713	2.8
207.10181	6.1
209.11758	63.2
210.12074	3.6
211.13298	2.2
221.15395	4.8
223.13295	2.7
225.11258	6.1
227.12802	16.9
235.08083	4.3
253.09196	15.3
275.01981	2.3
277.21667	2.7
291.19492	1.9
293.21210	100.0
294.21362	8.0
295.22769	22.4
296.22998	2.5
309.20511	4.7
318.61649	1.5
441.93958	1.6
460.89972	1.7
509.16489	1.7
618.14307	1.9
651.34326	2.2
705.32837	6.7
793.42548	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	791.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	29.2
71.01256	6.4
71.50269	10.7
78.95777	100.0
80.96382	17.6
96.96835	6.0
133.04994	5.7
144.19699	5.7
152.99483	45.2
164.83157	5.8
171.10150	8.9
209.11824	26.3
253.09096	6.7
261.18515	6.6
277.21594	17.5
293.21207	23.7
321.11832	5.7
343.24823	16.5
351.72992	6.5
479.23773	6.3
743.58044	7.6
791.40771	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	791.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
63.96081	1.3
71.01251	6.9
73.02810	1.4
78.95751	2.9
78.98474	5.5
79.95602	14.5
80.96387	76.3
85.02806	3.7
86.66750	0.7
87.00739	2.1
94.97957	15.6
96.95892	1.2
97.02821	1.1
99.00727	1.0
101.02288	3.0
106.97923	2.5
108.06124	0.8
117.77348	0.9
122.97414	2.6
125.02278	3.4
125.17360	1.0
134.97427	3.8
148.99022	5.1
152.98419	3.9
152.99495	3.3
164.98537	12.5
171.10075	1.3
206.99565	3.4
209.11739	2.3
211.13374	1.3
225.00703	20.9
327.21515	2.3
509.16846	1.9
555.25616	5.5
563.28479	1.2
791.42480	100.0
792.42743	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	791.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.2
59.01247	5.2
60.99618	1.1
61.98699	9.7
69.10072	1.2
69.32166	11.3
71.01254	11.5
73.02807	1.7
78.95773	22.3
80.96407	1.7
83.04890	3.0
85.02817	2.9
88.98656	1.4
89.02326	2.9
92.13535	1.3
96.96820	1.3
98.19813	2.6
101.02319	3.8
109.06472	7.9
111.08054	3.8
113.02311	1.8
135.08098	1.4
145.04927	1.6
148.30014	1.1
152.99501	8.0
161.04491	2.2
163.11180	6.1
171.10158	5.5
181.12221	3.3
191.10649	1.2
195.13780	4.0
199.26433	1.3
201.11302	2.7
206.87334	1.4
207.10205	26.6
208.10513	3.1
209.11754	71.5
210.12138	4.3
211.13298	1.7
223.13342	4.1
225.11298	16.6
227.12863	11.5
228.13199	2.4
235.08177	6.5
245.03903	1.3
247.20665	1.5
253.09268	22.8
275.20053	4.3
291.19647	100.0
292.20020	9.3
293.21191	39.4
294.21423	4.6
327.21777	1.9
374.46008	1.3
445.20026	2.5
461.20255	6.0
463.20981	1.7
527.28583	4.1
705.32623	9.3
706.33209	1.6
737.41400	5.6
738.41815	2.1
773.42053	2.2
791.40204	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	791.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.1
59.01251	100.0
61.98695	11.2
62.94077	1.6
65.00205	2.3
71.01257	18.7
71.51834	3.0
72.99203	3.1
73.02813	11.5
74.03190	1.3
75.00786	1.6
78.95793	1.5
81.03360	1.6
83.01257	19.2
85.02853	5.8
87.00756	2.5
89.02325	2.5
93.03359	2.7
96.95889	3.7
97.06482	1.6
99.04428	4.5
101.02312	12.4
109.02871	4.0
113.02362	5.6
119.03438	1.2
119.04948	2.4
120.99564	2.0
121.02836	9.5
123.04410	4.1
125.02328	13.5
131.07095	1.9
133.02892	2.6
135.04459	5.9
137.02359	7.0
145.02892	5.7
147.04482	2.9
147.40712	1.5
149.02397	2.2
150.03134	2.0
151.00313	2.4
151.03987	2.9
159.04430	2.5
161.02324	9.2
161.04457	2.3
161.05968	2.4
163.03963	4.1
164.01048	1.7
165.01891	6.4
165.12761	1.5
167.03458	2.9
167.10741	5.5
169.01363	3.2
173.04498	2.7
174.03195	4.5
175.03922	19.4
177.01907	2.7
179.03436	2.9
187.03983	2.9
191.03481	1.7
191.05544	2.7
193.01450	1.7
203.03575	1.8
205.05077	2.9
207.13910	4.0
209.11806	9.6
217.01541	1.5
225.14934	13.5
227.03757	2.1
227.12839	57.0
228.13264	2.9
229.01460	2.5
233.11812	3.3
240.04312	1.7
251.07205	3.1
251.12799	2.8
255.06638	2.0
255.10365	2.7
269.08182	30.9
269.13901	10.3
270.08545	2.9
271.02643	1.6
275.02081	3.9
277.05191	2.4
279.06796	4.8
280.07581	4.0
281.05353	1.5
281.08331	6.1
283.09677	11.1
287.15051	21.2
288.15414	2.2
289.07330	2.6
291.06677	2.0
294.05222	1.5
296.07037	5.0
296.10208	1.8
298.11945	1.5
299.09286	18.4
300.09738	2.7
300.99954	14.3
301.03226	2.6
307.05817	1.6
311.09225	29.6
311.14984	2.6
312.09808	3.3
314.11560	28.6
315.05139	1.9
315.12216	6.8
324.06363	7.5
325.07312	2.2
325.10873	5.4
326.11557	28.4
326.15070	2.2
327.12460	4.3
329.13913	72.6
330.14420	6.0
341.13925	34.9
342.14578	2.8
359.15057	1.6
371.17285	4.0
385.03842	1.8
431.19257	13.6
432.19440	2.2
455.15506	3.4
462.09393	11.5
463.10248	9.4
615.18079	2.6
629.31665	7.1
653.22894	3.5
659.10840	1.8
740.33722	1.6
773.34424	4.2
791.35596	74.4
792.36121	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	791.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.0
61.98701	28.9
66.19886	1.1
71.01244	7.0
71.51167	1.7
72.99197	1.5
73.02834	3.1
75.00741	15.1
83.01305	1.5
85.02843	1.4
87.00769	1.5
87.64973	1.4
88.98683	4.3
89.02319	4.8
90.23302	1.4
95.04881	1.5
96.95889	19.2
97.02821	1.5
99.00787	2.0
101.02329	3.2
101.19553	1.3
108.01998	1.8
109.02839	2.6
113.02336	1.6
116.92731	13.0
118.82160	1.3
119.04903	1.5
121.02818	2.1
123.04400	2.2
124.30746	1.4
125.02334	3.9
135.02901	12.1
136.03214	1.6
137.02332	2.3
141.01567	1.7
151.00345	3.3
151.03915	2.6
161.02315	2.5
163.03925	1.6
169.01263	2.2
171.10191	5.2
174.03133	1.7
175.03899	5.8
179.03354	1.6
195.06628	1.8
201.11255	3.0
209.11769	7.7
211.13429	1.6
225.11319	3.2
243.12372	1.6
253.09067	1.7
271.06149	4.0
283.37610	1.8
300.99817	3.1
313.05090	5.4
314.05832	16.9
315.06525	10.2
316.06866	2.1
317.36618	1.8
327.06656	5.4
327.21835	1.8
329.23077	1.9
339.06262	1.7
354.05386	3.4
355.05664	1.7
362.09674	1.5
363.10486	1.8
365.08054	2.0
373.25977	2.0
375.10065	1.9
379.09708	2.1
380.10226	2.5
381.11203	1.7
389.08005	2.1
390.08844	3.0
391.09384	3.3
392.10632	2.2
393.11313	2.3
403.10138	2.5
405.07553	2.6
407.09372	2.3
417.07761	2.1
418.08273	5.8
419.09439	10.8
420.09894	3.9
422.08228	1.8
423.08774	1.7
430.08145	2.1
431.09180	18.0
432.09726	5.1
433.06610	2.6
434.07394	1.9
436.09442	7.8
437.10306	26.9
438.10892	4.0
445.07516	3.0
447.08545	5.1
448.09531	29.2
449.10266	100.0
450.10858	15.4
462.07388	11.7
463.08041	11.2
464.08267	2.1
466.04022	1.6
466.10590	35.9
467.11279	63.2
468.12381	6.4
469.09146	1.8
475.08386	2.8
481.09216	1.7
492.08081	2.0
493.09039	3.5
511.10339	33.6
512.10522	3.8
523.09979	2.2
526.85022	1.7
547.08911	1.7
553.11078	2.4
599.11566	6.4
611.15845	11.6
625.13318	3.2
628.12262	4.8
629.12811	64.7
630.13428	11.2
637.13708	12.7
638.13690	2.4
671.14160	6.9
672.14484	1.8
673.15704	8.8
674.15839	2.3
761.16583	3.1
791.18494	23.4
791.42261	2.3
792.18134	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	789.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
58.00473	1.7
59.01251	18.8
61.98703	100.0
68.99681	1.1
69.03319	2.7
71.01251	59.2
71.51276	2.3
72.01585	1.5
72.99178	2.0
73.02816	6.8
75.00732	2.5
75.96183	1.1
76.07149	1.2
78.95789	3.1
80.02573	2.2
81.03330	3.4
83.01261	2.6
83.04899	5.7
84.02021	1.4
85.02808	10.9
87.00743	3.2
87.04360	1.2
88.98678	1.9
89.02306	7.2
93.03366	1.5
95.01241	2.0
95.04894	3.1
96.95895	9.1
97.02813	3.9
97.06465	4.7
99.00779	2.7
101.02319	9.9
109.02852	2.1
109.06482	5.9
113.02325	7.1
116.92725	2.5
119.03348	2.2
121.02822	1.2
125.02334	5.0
125.05966	1.4
125.09619	4.0
127.11189	3.5
135.08025	2.0
137.02332	1.8
137.09625	2.8
139.07549	1.4
140.51790	1.3
143.03397	1.4
145.05005	1.5
152.01106	1.4
155.10718	3.0
161.02376	1.8
161.04480	4.2
161.09688	1.3
163.11188	9.1
165.12715	1.8
169.01360	1.9
171.10178	66.0
172.10555	3.2
175.03934	5.4
177.12830	1.4
179.05525	1.6
181.12231	3.2
183.10165	1.3
183.13812	2.5
185.11736	3.7
197.11737	6.3
199.13327	1.7
201.11261	18.3
207.10197	19.2
209.11763	75.3
210.12056	5.8
211.13342	16.3
211.79637	1.1
215.12820	1.6
217.28014	1.1
221.11772	2.3
225.11282	38.0
226.11612	2.0
227.12901	10.4
229.14421	12.3
235.08165	11.4
239.12691	1.3
243.12410	2.5
253.09235	29.6
254.09409	1.6
271.06046	2.1
274.27106	1.1
291.19656	4.8
300.99930	2.6
307.19278	1.3
309.20679	10.8
315.07309	1.6
327.21756	81.0
328.22192	8.3
341.23593	1.5
359.28162	1.8
360.28287	1.5
369.31119	1.4
373.25601	1.2
375.27304	1.8
379.49454	1.5
407.19531	2.4
443.19342	2.2
461.20309	9.7
465.32840	1.4
479.21207	1.6
545.29724	2.7
563.30847	2.7
592.42114	1.2
627.14703	1.6
688.14709	1.4
689.33838	1.3
771.41589	5.1
772.41602	1.4
785.48120	1.6
789.43005	14.8
790.43018	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	789.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02531	0.6
55.80923	0.6
57.03311	1.8
59.01247	9.5
61.98701	12.6
68.99681	0.6
69.03320	1.1
71.01252	38.9
73.02799	1.5
75.00771	0.7
78.95771	3.9
81.03327	1.6
82.03617	0.6
83.01244	2.0
83.04887	5.9
84.02052	0.7
85.02811	2.4
87.00740	2.3
88.98666	1.0
89.02328	3.4
94.13930	0.7
95.01276	1.1
95.04907	0.8
96.95880	1.7
97.02797	1.5
97.06467	1.1
98.20657	1.3
99.08040	3.4
101.02322	7.7
109.02820	0.7
109.06470	2.4
111.04434	0.8
111.08038	2.7
113.02321	3.5
116.92781	0.8
119.03397	1.1
123.04427	1.1
123.08045	0.8
125.02325	1.7
125.05956	0.6
125.09614	4.8
127.11169	2.4
134.15170	0.6
135.04424	0.7
135.08049	0.6
137.09586	1.7
142.48665	0.6
145.04903	1.1
149.09688	0.6
151.03996	0.7
151.11160	0.8
152.99512	1.4
153.09100	0.8
155.10686	1.5
161.04477	3.2
163.11212	6.1
165.09039	1.0
165.12749	2.7
167.10747	1.0
169.12256	1.3
171.10175	35.2
172.10457	3.1
175.03918	0.9
179.05530	1.2
181.12254	2.3
185.11702	2.3
191.10645	0.9
191.14343	0.8
193.12260	6.7
197.11746	12.8
199.09724	4.0
199.13374	1.0
201.11249	19.6
202.11642	0.9
207.10170	5.0
209.11760	100.0
210.12114	6.4
211.13301	4.8
215.12697	0.9
225.11299	8.7
225.14851	8.6
226.11606	1.2
226.15439	0.8
227.12840	14.4
228.13194	0.9
235.08174	6.2
243.12372	0.9
243.15959	2.8
245.19058	1.1
253.09235	20.8
254.09549	1.5
263.20099	1.5
289.06918	0.9
289.18033	9.8
291.19629	8.2
292.20193	0.8
293.21225	1.8
307.19113	5.6
308.19565	1.2
309.20679	15.5
309.24191	1.0
310.21011	1.9
311.22324	0.8
325.23849	0.9
327.21838	1.7
337.44113	0.7
343.24866	60.0
344.25259	4.6
445.20776	1.2
461.20209	1.5
535.36169	1.8
536.36737	0.9
570.28833	0.8
579.34070	1.6
753.40497	1.2
771.42133	1.6
789.41803	6.9
790.22900	0.7
790.41046	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	789.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.2
59.01252	11.6
60.25537	2.2
60.54914	2.2
61.98701	48.6
70.15736	9.9
70.16073	2.8
71.01251	33.0
72.01601	2.3
72.99167	2.7
73.02815	4.6
73.81502	2.4
75.00745	2.8
78.49448	2.1
78.95779	55.7
80.96387	8.4
83.01212	3.2
83.04874	2.9
85.02798	5.5
87.00730	3.6
88.98651	3.9
89.02341	4.8
96.95892	4.0
96.96851	4.3
98.20583	2.1
99.00748	2.7
101.02287	3.4
109.06467	2.8
111.04382	3.4
113.02322	7.1
113.74879	2.4
114.93031	2.3
118.69485	2.2
125.02327	7.5
125.09568	4.9
151.03903	2.2
152.99506	18.5
163.11154	4.9
164.98657	3.2
171.10179	29.1
172.10541	2.8
179.89850	2.6
187.03949	6.6
187.09706	2.4
197.11729	6.0
201.11185	5.3
207.10178	8.7
209.11775	100.0
210.12166	5.5
211.13414	4.5
223.13411	3.7
225.00523	3.2
225.11273	8.3
227.12842	15.2
235.08087	2.7
245.18973	2.9
253.09241	15.0
281.04590	2.4
285.05286	3.4
289.18134	23.0
291.19669	15.1
293.21243	5.2
295.02579	5.5
295.22797	4.2
300.99872	3.0
307.19104	25.4
308.19556	3.4
309.03879	4.3
309.20575	8.2
311.22348	6.7
327.21780	9.0
366.45844	2.8
392.02332	2.4
433.07324	2.7
445.20520	4.9
461.19873	4.1
463.21045	7.6
475.08273	9.8
477.06244	7.0
479.07639	7.7
489.06189	9.6
490.07285	2.5
753.40503	5.0
771.41638	12.2
789.12787	4.0
789.36975	30.3
790.39246	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	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.3
59.01245	17.6
61.98697	27.3
64.15452	1.6
69.03316	3.5
71.01250	66.6
71.25684	1.5
71.30646	4.0
72.99184	2.2
78.95754	7.7
80.02513	1.5
81.03335	2.3
83.04890	5.4
85.02827	4.8
87.00746	11.8
88.00270	2.1
88.98701	2.6
89.02325	5.8
95.04856	1.8
96.95887	11.4
97.02839	5.0
97.06515	2.1
99.00718	2.0
101.02325	7.0
108.00098	1.5
109.06454	3.3
111.08064	3.2
113.02329	5.3
116.92685	2.7
119.03408	1.9
121.02834	1.6
123.04405	1.7
125.02352	3.1
125.09597	3.6
127.11146	2.6
135.08087	1.9
137.09674	2.2
141.01627	2.5
152.99437	2.8
159.04364	1.9
161.04442	3.7
163.11159	6.2
165.09174	2.3
165.12785	2.4
171.10175	56.6
172.10599	2.3
175.03813	2.5
181.12231	3.0
183.13809	2.0
193.12260	3.6
194.25549	1.7
197.11751	19.8
199.09596	8.3
199.13243	2.8
201.11269	22.1
207.10197	15.8
209.11765	100.0
210.12096	5.7
211.13356	11.5
225.11284	12.1
225.14931	3.3
227.12886	21.2
235.08127	7.0
245.19141	1.9
253.09229	24.3
286.24051	3.1
289.18094	66.0
290.18298	5.6
291.19623	12.9
307.19150	6.5
309.20673	27.9
310.20978	2.7
327.21698	2.5
342.23584	2.4
343.24866	27.8
445.20636	2.0
525.27161	5.0
577.25812	2.1
735.39746	3.0
753.40747	5.3
789.38873	27.6
790.39191	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	789.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.7
65.00182	1.6
69.37418	1.0
71.51177	1.1
78.95775	0.9
79.17484	0.9
93.03333	1.6
93.40488	1.0
96.95920	1.3
107.01250	3.0
107.04910	6.6
108.02042	1.4
109.02811	2.7
121.02824	2.3
123.04433	1.2
125.02360	2.1
135.04404	1.9
137.02307	0.9
148.01552	1.7
149.02400	1.1
151.00262	13.3
153.05446	1.4
161.02278	1.9
163.00177	2.4
178.99794	5.8
191.05493	3.9
201.05502	2.0
211.03915	1.9
227.03323	2.6
229.05020	1.6
243.02965	8.0
245.04474	1.3
255.02975	18.6
256.03317	1.3
271.02472	33.1
272.02972	2.1
283.02481	1.3
297.17548	0.9
298.98120	1.0
299.01877	1.2
300.02744	59.5
301.03479	55.5
302.03894	4.9
356.03903	1.8
433.07715	100.0
434.08157	9.7
454.95535	0.9
532.69189	1.2
587.30585	1.0
615.13519	1.0
749.31293	1.1
764.70044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
58.00465	1.3
59.01245	8.8
60.51470	1.2
61.98696	15.7
69.03285	1.3
71.01254	13.8
71.30099	2.1
71.30424	1.3
72.99181	1.9
73.02825	1.9
75.00750	4.2
78.95756	9.8
83.01302	1.2
83.04895	5.5
85.02824	4.4
87.00768	4.6
88.02566	1.3
89.02313	4.9
89.98880	1.2
93.03326	1.2
95.04984	1.2
96.95895	1.1
97.02850	1.4
97.06487	1.3
99.00748	3.7
101.02335	6.1
109.02881	1.1
109.06422	2.7
111.08042	4.9
113.02357	6.8
123.08020	1.2
125.02303	1.8
125.09633	2.7
152.99474	3.3
157.01283	1.6
161.04536	2.0
163.11186	4.7
165.12770	2.4
169.12259	2.8
171.10139	8.5
179.10693	2.7
181.12283	2.5
191.05489	1.3
197.11752	31.6
198.12117	3.9
199.13338	1.6
201.11290	4.7
207.10181	3.4
209.11765	100.0
210.12126	7.6
211.13345	5.5
221.11981	1.5
225.11244	2.5
227.12819	15.7
228.13278	2.0
235.08130	3.7
253.09229	19.3
259.15329	1.9
287.16681	1.7
289.18100	2.3
291.19720	11.6
293.21262	2.6
305.17599	2.9
307.19272	2.4
309.20703	41.1
310.20978	3.5
327.21823	2.5
445.20435	3.6
546.46570	1.6
630.90704	1.3
687.55463	1.5
725.37512	1.7
751.38385	2.9
769.40112	7.3
787.41235	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	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
59.01243	9.6
61.98705	12.5
71.01254	16.8
71.05530	1.7
72.99207	1.2
73.02814	3.2
75.00724	2.7
78.95777	10.5
81.03329	2.5
83.01262	1.0
83.04883	5.2
85.02827	4.2
87.00758	3.2
89.02309	5.1
90.20559	1.0
94.10753	1.2
95.01241	1.5
95.04934	2.8
96.95888	2.3
96.96834	1.5
97.02831	2.5
97.06461	1.2
99.00756	1.7
101.02316	5.4
109.02909	1.0
109.06481	2.6
110.85793	1.1
111.08042	4.7
113.02334	4.0
115.00186	1.0
118.92738	1.0
125.02328	2.7
125.09620	1.9
148.59070	1.0
152.99493	3.6
161.04527	3.1
163.11179	4.8
165.09251	1.2
165.12770	1.5
169.01411	1.2
169.12239	4.0
171.10168	13.7
179.05554	1.4
181.12238	1.9
185.11804	2.5
195.13757	1.5
197.11775	24.6
199.09732	1.3
199.13268	1.9
201.11255	4.5
207.10199	4.7
209.11766	100.0
210.12094	6.6
211.13271	5.1
213.11325	1.5
223.13277	1.7
225.11258	8.8
227.12794	13.6
228.13124	1.5
235.08121	5.1
245.19101	1.3
247.20735	1.7
249.14845	1.4
253.09256	16.7
259.15469	1.2
289.18054	4.6
291.19669	13.4
292.19907	1.7
293.21152	2.1
300.99756	1.5
307.19095	2.7
309.20706	38.0
310.20987	3.6
311.22226	1.0
327.21686	2.5
341.23300	1.5
397.13461	1.5
445.20758	1.5
461.20212	1.4
545.30389	1.6
579.19489	1.2
630.06757	1.3
650.71136	1.2
751.38757	1.8
769.39484	4.0
770.40338	1.1
787.41980	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	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
57.03307	0.7
59.01246	5.3
61.98698	5.6
69.03316	1.1
70.45937	0.3
71.01250	6.3
72.99180	0.6
73.02816	2.7
75.00768	0.7
76.47428	0.3
78.95786	1.0
80.02541	0.7
81.03331	1.3
83.01246	0.9
83.04887	5.5
84.02037	4.0
85.02405	0.3
85.02821	1.8
87.00735	2.1
89.02313	3.7
95.01264	0.6
95.04902	1.1
96.95879	3.7
97.02831	2.0
97.06464	3.9
99.00774	1.2
99.04390	1.2
99.92447	4.6
101.02309	4.1
103.57356	0.3
109.02819	0.4
109.06486	0.8
113.02351	2.3
116.92739	47.1
116.97117	0.5
117.01830	3.6
117.92744	3.6
119.03371	1.3
119.08578	0.4
125.02328	1.0
125.05975	0.6
125.09623	1.4
131.03484	0.4
135.08052	0.9
137.09631	0.6
143.03366	0.5
145.05025	0.5
161.04445	1.9
163.11206	4.2
165.12811	2.2
169.12254	0.7
171.10175	14.2
172.10492	0.7
175.03900	0.7
175.11290	0.4
179.05522	0.9
181.12248	0.9
185.11784	0.9
191.10692	1.2
193.12268	5.7
194.12624	0.7
197.11719	0.9
199.13319	0.5
201.11299	2.1
207.10249	0.9
209.11763	100.0
210.12099	5.9
211.13370	2.1
221.11765	0.5
225.11304	1.0
225.14906	7.8
226.15289	0.8
227.12837	12.0
228.13097	1.0
229.28627	0.4
235.08177	5.1
243.15935	3.4
253.09250	15.3
253.14476	0.7
254.09648	1.0
275.02017	0.6
289.18039	0.5
291.19614	1.3
300.99884	0.9
307.19006	0.4
309.20764	0.7
322.91269	0.4
323.22256	1.3
341.23291	66.2
342.23654	7.2
428.22189	0.4
445.20694	1.5
533.34955	2.2
569.09454	0.4
577.32166	1.7
578.33020	0.4
650.41229	0.5
769.39984	0.5
787.42889	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	787.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
58.00475	0.4
59.01248	5.5
61.98700	2.5
63.82238	0.3
69.03332	1.4
71.01254	3.9
71.08158	0.3
71.08508	0.7
72.53206	0.3
73.02827	1.0
75.00727	0.4
78.95783	0.5
80.02541	0.9
81.03319	1.4
83.01250	0.9
83.04892	5.0
84.02040	1.9
85.02829	0.9
87.00746	1.3
89.02314	3.2
93.03337	0.3
93.83710	0.4
95.01233	0.3
95.04906	0.8
96.95891	3.1
96.96827	0.3
97.02825	0.8
97.06466	5.6
99.04393	0.6
101.02312	3.6
108.78181	0.3
109.02834	0.4
109.06491	0.7
113.02351	2.0
116.92773	0.4
119.03381	1.4
119.08548	0.3
125.02302	0.4
125.09606	1.4
127.11143	0.5
129.09058	0.3
135.08018	0.8
137.09637	0.8
143.03432	0.4
153.09100	0.6
161.04468	1.6
162.53793	0.3
163.11209	3.7
165.12759	2.4
171.10181	8.0
175.11168	0.5
179.05495	0.8
181.12244	0.6
185.11873	0.5
191.10713	1.1
191.75244	0.3
193.12263	8.3
194.12569	0.6
197.11752	0.5
201.11545	0.4
209.11765	100.0
210.12109	6.0
211.13339	2.3
216.58553	0.3
221.11784	1.0
225.11395	0.7
225.14912	12.4
226.15298	0.9
227.12817	10.4
228.13275	0.9
235.08179	5.1
243.15961	5.8
253.09254	14.8
253.14438	1.0
254.09697	0.8
291.19574	0.9
305.21295	0.5
309.20740	0.5
323.22238	0.8
341.23297	69.9
342.23645	7.0
342.27557	0.5
445.20612	1.2
472.11874	0.4
533.34564	2.6
534.34839	0.4
551.36035	0.7
559.31378	0.5
577.31976	2.3
787.18878	0.4
787.40918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
55.64390	0.2
57.03309	0.6
58.00469	0.3
59.01250	4.9
61.59231	0.2
61.98705	3.0
69.03318	1.1
70.38311	0.8
71.01250	4.4
71.04879	0.3
71.27643	0.2
73.02820	0.9
78.95763	0.2
80.02531	1.1
81.03328	1.1
83.01264	0.6
83.04896	5.3
84.02043	2.2
85.02827	1.2
87.00755	1.3
89.02317	3.4
93.03344	0.3
95.01260	0.3
95.04910	0.9
96.53208	0.2
96.95895	0.8
97.02843	0.6
97.05907	0.2
97.06468	5.2
98.06824	0.3
99.00734	0.5
99.04391	0.6
101.02320	3.5
105.56204	0.2
109.02846	0.2
109.06470	0.3
111.08042	0.4
113.02320	2.3
119.03379	0.8
121.10139	0.2
125.02382	0.4
125.05971	0.4
125.09610	1.1
127.11185	0.4
135.08055	0.6
137.09633	0.8
143.03404	0.6
145.04929	0.4
147.11723	0.3
149.13205	0.2
153.09045	0.3
161.02396	0.2
161.04456	1.5
163.11197	3.7
164.11519	0.2
165.12753	3.1
171.10185	7.4
172.10530	0.3
175.11209	0.5
177.12778	0.3
179.05492	0.7
181.12273	0.9
185.11786	0.3
191.10724	1.1
193.12283	6.9
194.12668	0.3
197.11835	0.3
201.11279	1.3
207.10176	0.3
209.11772	100.0
210.10088	0.3
210.12109	6.3
211.13324	1.9
221.11781	1.0
225.11256	0.6
225.14914	10.5
226.15248	0.6
227.12839	10.8
228.13170	0.7
235.08208	5.3
243.15994	4.6
244.16409	0.3
253.09259	15.3
253.14474	0.7
254.09604	0.7
273.18411	0.3
289.18118	0.3
291.19650	0.8
305.17773	0.5
305.21201	0.8
309.20682	0.4
323.22437	1.2
325.20184	0.4
341.23309	64.0
342.23697	6.8
357.26447	0.4
445.20914	1.0
514.76337	0.2
533.34686	2.1
534.35529	0.3
551.35651	0.6
577.32166	1.6
585.18134	0.2
703.30951	0.2
704.49561	0.2
787.42645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.9
58.80450	1.8
59.01245	22.2
61.98703	69.2
65.18275	1.8
67.47115	1.9
69.03320	2.9
69.24937	9.3
69.25369	8.6
71.00849	4.3
71.01250	88.6
72.01592	2.2
73.02801	3.3
75.00716	4.6
78.95776	72.5
80.02561	1.7
80.96366	2.4
81.03309	3.2
83.01243	3.5
83.04898	6.6
84.02063	2.2
85.02814	5.6
85.95724	1.9
87.00751	10.0
89.02296	7.5
90.93386	2.0
95.01234	2.7
95.04904	3.0
96.96832	7.3
97.02822	5.9
97.06454	5.1
98.20574	4.1
99.00749	7.7
101.02311	8.3
109.06474	16.6
110.03540	1.7
111.00778	2.2
111.08006	5.3
113.02322	5.3
119.03348	2.7
123.04427	1.9
125.09599	4.0
128.99866	1.8
143.03323	2.0
145.04977	2.5
152.99501	28.5
161.04507	2.7
163.11182	14.2
165.12740	2.7
169.12259	3.9
171.10190	29.7
174.51883	1.7
181.12224	8.6
185.11758	2.7
193.12321	4.3
195.13863	15.4
197.11754	11.9
199.13255	4.0
201.11163	9.4
207.08366	3.4
207.10225	49.8
208.10497	3.1
209.11761	61.4
210.12126	4.1
211.13351	4.3
215.12845	2.6
223.13356	6.7
224.13840	2.1
224.47739	2.4
225.11269	35.3
225.14792	3.8
226.11565	3.0
227.12794	5.9
235.08183	6.5
243.12366	4.8
253.09277	23.4
256.13226	2.4
275.20068	7.9
291.19675	38.5
291.37274	1.9
292.20090	4.5
293.21225	100.0
294.21692	9.3
295.22723	5.3
300.99936	2.2
309.20685	5.1
325.23959	2.8
341.23270	6.2
377.57178	2.4
443.18845	2.4
445.19876	9.3
459.75281	2.2
461.20163	7.3
463.20688	3.7
477.22717	9.7
593.75055	2.2
624.30865	2.2
644.78046	2.1
737.40875	13.3
738.41010	4.4
755.42401	12.8
756.42023	4.5
787.44562	54.5
788.44928	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	787.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.0
61.98701	100.0
70.09955	7.2
70.10348	10.1
71.01239	19.0
72.50658	3.6
73.55589	3.5
78.95780	35.0
79.95573	4.4
80.96384	12.0
82.98780	3.3
85.02834	8.1
87.00768	7.7
99.00809	3.5
109.06471	6.0
110.98444	4.4
125.02312	5.8
145.88365	4.3
146.16249	3.3
152.99449	16.9
171.10179	12.8
195.13724	4.7
197.11720	13.4
201.11279	5.1
207.10149	7.0
209.11816	21.7
211.13409	5.0
223.13338	20.1
225.11290	7.5
227.12949	5.7
253.09268	5.9
289.17654	3.9
291.19690	10.2
293.21185	8.8
297.15393	4.9
300.99695	4.1
308.51932	4.1
309.20749	17.1
334.19080	3.6
341.23199	4.8
445.20203	5.2
470.68570	4.0
481.24167	3.9
634.29260	4.2
751.42609	5.3
752.63678	4.7
755.41467	4.8
787.41071	31.3
788.40906	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	787.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
59.01247	2.6
61.98701	14.9
63.96103	2.3
65.72592	0.6
69.03316	1.4
70.05993	3.0
71.01247	13.8
72.99178	0.7
73.02827	1.7
78.95771	16.6
78.98461	8.9
79.95117	0.9
79.95601	17.5
80.96386	94.4
81.03325	1.6
83.01257	1.1
83.04906	1.1
85.02818	4.4
87.00753	5.4
94.97961	19.7
95.01313	0.8
96.95882	1.1
97.02818	2.5
99.00702	1.2
99.08023	0.8
101.02348	4.1
104.29273	0.7
106.97967	4.8
110.98433	1.1
113.02324	1.2
121.99952	0.8
122.97437	2.9
125.02351	3.9
125.09621	0.7
127.03851	1.3
134.97473	6.5
136.99002	2.3
140.01070	2.3
146.97391	0.7
148.99036	7.7
152.98442	7.7
152.99670	3.4
153.09047	0.6
164.98543	16.2
171.10089	3.7
179.85034	0.7
181.12267	0.9
188.98459	0.7
192.03735	0.6
195.13872	3.2
197.11726	3.0
199.13141	1.1
201.11308	0.7
206.99599	3.1
207.10121	1.0
209.11743	4.9
211.13321	1.9
225.00693	23.1
225.11092	0.7
225.14876	1.2
241.14386	0.7
275.20035	0.7
276.08447	0.7
277.21646	2.8
278.21918	1.7
279.23230	1.7
291.19498	1.4
293.21255	5.3
294.21417	1.5
295.22772	12.7
296.23090	4.5
309.20560	2.0
311.22238	11.7
312.22577	4.7
326.00302	0.8
341.23160	1.2
343.24670	1.5
508.27005	0.7
509.16348	2.1
540.32477	0.7
548.55005	0.7
559.25281	1.8
714.42694	2.0
786.49091	3.3
787.38629	100.0
788.39227	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	787.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.7
58.00501	0.9
59.01255	8.5
61.98703	44.7
62.11313	0.9
63.32252	0.8
63.99105	0.8
68.69771	0.9
69.03325	3.4
71.01262	7.8
71.04895	1.3
71.51755	1.5
71.52130	0.9
72.99166	1.7
73.02818	1.6
74.99019	0.8
75.00735	2.3
78.95801	1.2
80.96393	1.8
82.96002	1.0
83.04913	2.5
85.02825	5.7
87.00753	1.4
88.98653	1.2
89.02332	2.5
93.03348	1.6
95.01248	1.0
96.95888	8.6
97.02791	1.2
97.06451	1.5
99.00768	2.6
101.02321	6.5
109.02903	1.1
113.02327	3.1
116.92735	2.2
119.03426	1.2
123.00703	0.9
123.04375	1.4
125.02338	3.4
125.09606	2.1
133.01346	1.3
135.04407	1.5
137.02353	2.9
137.09662	1.1
145.02780	1.0
149.02382	1.2
151.00320	1.2
151.03873	0.9
151.11249	1.1
153.12738	1.0
161.04485	2.2
161.09656	2.5
163.11200	1.0
165.01799	1.0
169.01324	1.8
171.10197	16.7
175.03891	4.1
177.02066	1.0
179.05692	0.9
179.10683	3.1
183.13834	0.9
191.05487	1.0
193.12363	1.1
197.11752	33.8
201.11287	1.5
209.11797	18.8
211.09676	1.5
211.13339	4.1
221.11737	1.3
223.09619	1.4
225.07652	1.3
225.14868	1.4
227.12830	3.1
229.01498	1.0
229.14357	2.4
235.08257	1.4
239.12909	1.1
241.10786	1.1
253.09274	3.7
275.01999	1.5
300.99893	3.2
313.05228	3.0
314.05814	10.2
315.06555	6.9
323.01938	1.0
327.06592	2.2
327.21741	7.1
341.23203	6.5
354.05377	1.0
357.26474	3.0
363.75610	1.0
373.25848	1.3
391.09723	1.3
403.09818	1.6
405.07422	2.5
415.09726	2.4
419.09161	1.6
421.06833	1.9
422.07782	5.0
423.08804	6.9
424.09372	1.3
430.08887	1.0
431.09210	9.7
432.09790	2.4
434.07904	1.2
436.09683	2.2
444.10126	1.5
445.10867	1.9
447.08746	3.4
448.09467	14.1
449.10257	31.1
450.10849	6.2
460.09409	1.9
461.10294	3.2
463.11832	4.0
468.08597	2.4
471.08563	1.5
472.09567	1.5
473.10281	4.8
474.10629	1.9
477.09842	7.5
478.10364	2.7
479.11765	1.3
485.09982	1.1
488.08899	3.3
489.09741	5.2
490.10431	6.1
491.11273	17.2
492.11923	1.9
493.09238	2.3
498.09494	1.5
502.10437	2.0
503.11661	3.5
515.10938	1.5
521.09369	2.1
534.09485	2.0
535.10120	7.1
536.10675	1.5
554.93140	1.0
563.13330	1.9
565.11432	2.5
580.13550	2.2
581.14459	2.6
585.14478	1.5
624.12640	41.0
624.22894	2.0
625.13416	100.0
626.13806	16.2
653.16632	3.7
665.17163	1.3
667.14459	1.3
697.15222	1.9
769.40796	1.4
774.31543	1.0
778.58508	1.2
786.37988	1.8
787.18744	48.8
787.41187	53.6
788.18994	11.5
788.41528	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	787.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.7
58.59069	2.4
59.01243	21.3
61.98703	90.2
71.01257	15.4
71.22968	5.2
73.02811	2.2
74.98978	3.7
75.00736	2.7
78.95782	3.2
79.95597	3.2
80.96384	5.3
83.01260	2.3
83.04887	3.0
85.02826	5.3
87.00745	5.3
88.98679	7.1
89.02309	6.2
92.94261	1.9
94.97970	2.9
95.01228	3.4
96.95882	27.9
96.96806	2.8
97.02823	3.5
97.06483	4.9
99.00745	3.0
101.02322	6.5
113.02298	5.8
116.92738	3.3
121.02795	2.5
123.00744	2.5
125.02325	8.1
130.39833	2.1
137.02286	2.5
149.05986	2.3
158.45267	2.4
158.50162	2.1
159.04414	3.6
161.02301	3.9
163.11124	4.4
165.01848	2.6
165.12782	2.3
169.01381	4.6
171.10158	9.0
174.03064	2.4
175.03918	8.2
187.03943	3.6
189.01866	6.6
191.05476	2.5
193.12270	3.1
195.06712	2.8
197.11835	2.8
199.13356	5.7
201.11116	2.5
207.10155	3.1
207.54372	2.3
209.11763	57.3
211.09636	2.3
211.13388	3.1
225.11310	5.5
225.14922	6.7
227.12842	13.0
235.08138	2.4
253.09221	10.3
271.02411	2.4
271.05969	2.3
272.88348	2.6
275.01846	4.1
300.99805	7.4
301.05222	3.2
313.05029	8.6
314.05832	32.0
315.06662	24.5
324.02707	3.2
325.20096	3.2
327.06549	8.9
327.21768	2.7
341.23318	41.5
341.27252	2.0
355.06171	4.4
355.24530	3.3
357.26608	3.7
359.28003	21.9
393.07608	3.1
401.28879	2.4
405.07758	9.4
412.77484	2.7
419.09232	4.2
422.07819	20.9
423.08588	30.8
424.08868	3.9
430.08191	3.6
431.09235	22.0
432.09589	7.0
436.09683	3.5
441.11288	3.6
443.09412	2.6
445.10870	8.3
447.08868	6.8
448.09540	48.3
449.10269	90.4
450.10831	15.8
451.02475	3.4
456.09796	7.2
457.10931	10.5
459.08490	3.4
460.09479	2.9
461.10162	7.4
462.11133	21.5
463.11890	37.0
464.11847	2.7
468.08569	4.6
473.10245	4.9
474.11185	12.3
475.11554	7.1
484.09259	5.9
485.10291	34.6
486.10742	6.3
487.08029	3.7
491.11325	7.3
493.08780	3.7
502.10629	55.3
503.11276	98.2
504.12085	12.8
505.09311	6.7
520.11469	8.6
521.11957	5.8
545.12299	3.9
547.10254	8.6
548.10236	2.9
563.12817	3.2
564.10492	8.1
565.11420	19.0
580.13806	7.9
581.14331	11.3
585.13885	22.5
586.14435	3.8
611.15497	25.4
612.15790	4.9
624.12677	43.3
625.13452	100.0
626.13910	10.4
665.16656	51.8
666.17194	11.5
683.17419	5.1
697.15527	3.1
709.15356	9.7
727.16620	11.8
728.16650	4.3
743.19678	24.3
744.20190	5.0
786.36115	3.9
787.18701	96.3
787.40607	11.4
788.18915	22.0
803.42291	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	786.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01259	3.9
61.98698	86.7
71.01257	6.0
78.95771	47.9
78.98473	2.5
79.95603	5.7
80.96385	25.5
83.04897	2.6
89.39382	1.4
94.97961	7.5
95.62395	1.4
96.96822	1.5
98.19799	4.0
99.07988	2.9
110.98423	3.3
113.09621	5.0
122.00082	1.8
122.97480	2.0
125.02341	1.6
129.09131	2.9
134.97501	2.3
140.01083	12.2
148.99037	3.0
152.98463	2.0
152.99541	10.3
164.98543	6.8
171.10153	5.9
181.12288	2.8
193.12224	2.9
195.13847	22.1
196.03755	5.1
196.14221	1.6
197.11739	9.7
199.13342	2.8
207.10263	2.0
209.11725	5.1
211.13338	12.9
217.95219	1.5
225.00700	4.4
229.30679	2.1
277.21625	17.8
278.22116	1.7
293.21191	13.2
295.22748	100.0
296.22980	10.8
309.21066	2.4
311.22256	38.6
312.22690	5.7
343.24820	2.2
354.63614	1.5
383.61411	1.5
455.18942	1.6
492.26950	1.9
508.26785	5.6
537.12115	1.5
786.49396	81.0
787.39380	23.1
787.49731	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95128	0.1
61.98698	100.0
62.98395	0.2
78.95774	0.3
80.96395	0.2
82.96042	0.1
88.33501	0.1
143.09500	0.1
152.99541	0.1
190.00668	0.1
209.11819	0.1
277.21771	0.1
278.22031	0.1
295.22937	0.2
311.22208	0.1
317.03534	0.1
580.63330	0.1
748.32129	0.1
786.49414	0.3
787.50214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.3
61.67389	0.1
61.98700	100.0
62.98415	0.2
71.01242	0.2
75.00758	0.2
78.95773	3.9
80.96377	0.2
96.96845	0.3
121.76879	0.2
135.08049	0.2
152.99474	1.4
171.10190	0.3
182.05241	0.2
197.11714	0.3
207.10191	0.3
209.11719	0.8
211.13350	0.3
223.13448	0.2
225.14960	0.2
228.33250	0.1
277.21786	0.6
291.19730	0.3
292.20309	0.2
293.21170	0.4
294.21567	0.4
295.22525	0.3
309.20605	0.2
341.23419	0.3
362.82095	0.2
544.21515	0.2
624.97498	0.2
712.42261	0.5
786.49170	0.7
787.45178	0.5
795.96454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.1
60.87460	0.1
61.98698	100.0
62.98405	0.1
62.99120	0.1
69.03325	0.1
71.01255	0.2
71.20192	0.1
71.20511	0.1
75.05049	0.1
78.95775	0.7
78.98502	0.1
79.95604	0.2
80.96381	1.0
81.03354	0.1
87.00738	0.1
94.97967	0.2
96.96908	0.1
106.97979	0.1
110.98435	0.1
113.09628	0.1
125.02325	0.1
129.09084	0.1
134.97482	0.1
137.45462	0.0
140.01123	0.1
144.31854	0.0
148.98943	0.1
152.99522	0.2
164.98570	0.2
171.10197	0.2
180.86742	0.1
181.12303	0.1
195.13846	0.2
197.11742	0.1
206.99606	0.1
209.11812	0.1
210.12143	0.1
211.13361	0.1
225.00620	0.3
225.14845	0.1
277.21866	0.2
279.23257	0.1
291.19882	0.1
293.21298	0.2
295.22748	0.6
311.22235	0.5
425.87814	0.1
549.88043	0.1
786.49762	0.9
787.38019	1.1
787.52051	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.7
57.03314	2.9
59.01254	17.2
61.98706	8.1
69.03344	1.5
71.01249	20.2
71.21368	2.8
72.99167	4.5
73.02792	2.1
75.00743	12.6
78.95760	4.1
80.02543	1.4
81.03314	1.7
83.01283	2.0
83.04897	4.7
85.02822	14.0
87.00738	6.1
89.02316	5.5
95.01230	3.6
97.02850	1.3
97.06432	1.8
99.00745	8.0
101.02301	4.2
103.00190	1.4
111.00737	1.2
111.08059	3.3
113.02328	17.8
116.92724	3.0
117.01785	2.4
117.92763	2.6
119.03343	1.3
121.02838	45.0
122.03153	1.7
125.09564	1.9
129.01845	1.9
135.08044	1.4
135.55486	1.2
151.11150	1.5
153.12621	1.7
161.04449	1.8
163.11195	5.5
165.12753	2.8
169.12282	7.1
171.10185	4.8
175.02371	3.2
175.20447	1.3
179.05582	1.6
181.06476	1.6
181.12248	1.9
195.13846	7.9
197.11765	100.0
198.12218	7.0
205.12372	2.2
207.10190	2.1
209.04486	27.7
209.11765	67.8
210.12102	3.8
211.13371	3.4
223.13356	12.5
225.11208	2.2
225.14848	2.8
227.12834	7.8
235.08170	4.5
244.58212	1.5
248.72520	1.5
253.09207	19.2
275.20084	4.1
289.18033	1.8
291.19586	14.9
292.20032	3.0
293.18039	2.5
293.21243	43.5
294.21542	4.9
301.00171	1.4
309.20731	35.7
310.21112	4.4
313.07135	1.6
341.23242	3.5
343.25070	4.9
357.05984	1.5
401.08817	3.2
404.57382	1.7
433.20743	7.3
518.45764	1.4
545.30042	1.6
753.40552	47.7
754.40759	9.0
785.43286	42.9
786.43500	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	785.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29443	0.3
57.29239	0.3
60.14162	0.4
71.01272	0.4
71.49791	0.4
85.02794	0.4
95.01241	0.7
107.01272	0.9
109.02867	0.4
117.03327	0.4
121.02831	0.4
123.00768	1.7
125.02345	5.2
135.02783	0.5
137.09941	0.4
145.02881	1.3
149.02213	0.4
150.26540	0.3
157.02818	0.7
159.04469	0.6
161.02347	0.7
163.03886	0.7
165.01810	0.8
169.01334	4.2
173.02345	1.3
175.03845	0.7
177.01892	0.7
185.02364	2.6
187.56390	0.4
189.01823	0.9
191.03400	0.6
191.05490	0.6
201.01895	2.3
203.03476	1.8
205.01508	0.4
206.08255	0.5
213.01726	0.5
217.01418	0.9
229.01355	6.2
230.01814	0.5
231.02921	1.7
245.00906	2.0
249.04051	1.5
250.04265	0.4
257.00916	4.4
258.01471	0.9
273.00394	0.9
274.01114	0.7
275.01959	11.5
276.02209	0.8
283.99582	1.9
299.99152	2.4
300.99881	100.0
302.00214	6.8
313.05731	1.0
447.05685	0.5
463.05371	1.2
465.06848	0.4
483.07803	0.9
615.06207	3.4
616.06848	0.9
633.07007	1.1
641.04932	0.4
785.08392	8.9
786.08630	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	785.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.1
71.50050	0.8
72.37003	0.8
74.76458	0.8
80.29502	0.9
85.02823	1.1
87.00749	1.0
95.01268	1.2
107.01260	1.9
109.02785	0.9
113.02351	1.3
119.04888	1.6
123.00761	2.5
124.01598	1.1
125.02332	16.5
126.59593	0.8
133.02815	1.0
137.02364	1.5
144.53688	1.0
145.02867	2.0
147.04456	1.8
151.00237	1.1
157.02881	1.3
159.04420	3.1
161.02325	1.3
163.03923	1.4
169.01332	11.8
173.02344	1.6
173.28304	1.1
175.03880	3.8
177.01857	2.0
179.24724	0.9
185.02345	4.1
189.01831	1.5
191.03419	2.0
201.01845	4.7
203.03409	7.1
213.01898	1.0
219.02867	1.1
228.00537	0.9
229.01381	9.0
230.01976	1.5
231.02953	7.9
245.00829	2.6
247.02449	1.9
249.03999	18.9
250.04262	1.3
257.00916	8.2
258.01602	3.4
273.00360	1.8
275.01953	32.9
276.02237	2.5
283.99625	2.4
284.99899	1.0
299.99081	3.3
300.99881	100.0
302.00241	8.8
313.05966	1.6
317.03000	1.8
419.06317	2.4
419.52621	0.9
476.94113	1.1
483.07599	5.0
484.08182	1.2
633.07318	3.3
785.08331	19.5
785.20636	0.9
786.08490	3.6
816.33337	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	784.477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01237	4.0
59.42034	0.9
61.98704	22.9
69.03291	1.2
71.01234	2.3
71.04794	1.0
71.49722	1.8
73.82594	1.0
75.00753	1.1
78.95773	44.9
80.91985	1.0
80.96396	2.1
83.04857	1.6
87.68241	1.0
96.96846	1.8
97.06478	1.1
99.07994	1.0
109.08519	1.0
111.08026	10.9
113.09584	2.9
121.99993	3.7
125.09610	1.7
137.09607	1.0
140.01086	15.3
151.11119	1.2
152.99464	5.3
153.12810	1.2
163.11206	1.4
165.12766	1.9
169.12267	5.9
171.10153	5.0
175.27583	1.0
177.12762	0.9
179.10735	1.1
179.14323	1.1
181.12357	2.2
183.13814	1.5
193.12228	1.6
195.13847	15.5
196.03717	6.2
197.11775	49.9
198.12141	2.1
199.13304	2.3
209.11723	2.8
211.13336	7.7
212.13683	1.0
223.13304	1.8
227.12944	2.3
263.20157	1.8
265.18045	1.3
274.87076	1.0
275.20190	2.4
277.21732	15.1
278.22073	1.3
291.19617	11.2
293.21216	28.5
294.21503	2.4
295.22766	56.1
296.23257	4.7
309.20703	42.7
309.24292	1.8
310.21024	3.1
311.22302	19.8
331.98846	1.0
341.23434	1.1
488.24109	1.5
490.26053	2.2
492.27176	5.4
506.25714	1.4
661.23376	1.2
784.47687	100.0
785.48260	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	784.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75854	0.2
59.01249	0.5
59.94991	0.2
61.98702	100.0
71.01260	0.4
71.51360	0.3
75.00751	0.2
75.20448	0.2
78.12022	0.2
78.95778	1.3
80.96371	0.2
85.02843	0.2
87.00758	0.2
96.95934	0.2
101.02334	0.2
125.02292	0.3
152.99548	0.4
163.11165	0.2
189.45876	0.2
207.10315	0.4
209.11801	0.2
225.11238	0.2
229.64259	0.2
235.08218	0.2
239.12886	0.3
275.02145	0.2
276.02097	0.2
284.26563	0.2
289.07227	0.2
289.17981	0.2
290.18442	0.2
291.19858	0.2
293.21240	0.7
295.22925	0.6
296.23264	0.3
413.54694	0.2
581.93530	0.2
784.46912	1.1
785.42328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	9.2
61.98700	9.8
66.94585	0.7
69.03347	0.7
71.01245	4.1
71.49410	1.0
72.99199	0.8
73.02841	0.9
78.95782	4.6
80.96378	2.2
83.01254	0.8
83.04920	1.3
85.02816	1.3
87.00751	0.7
89.02313	3.8
96.95921	0.8
101.02321	3.2
111.08006	0.8
113.02325	0.9
119.03308	0.6
125.02321	1.4
139.45718	0.7
161.04478	1.7
167.10724	1.0
177.34700	0.7
179.05446	0.7
183.13838	5.6
186.56010	0.6
193.12271	2.1
195.13795	7.9
196.74110	0.7
197.11795	3.3
209.11754	3.3
211.13335	100.0
212.13710	6.5
223.13313	3.9
225.14993	0.7
231.21248	0.7
235.08177	3.3
253.09244	13.3
271.15439	1.4
275.01996	1.2
275.20151	5.1
277.21713	3.2
291.19696	1.3
293.21219	66.8
294.21552	6.6
295.22818	4.0
300.99915	2.4
309.20718	2.6
328.24542	0.8
331.40985	0.7
447.22372	8.9
529.30176	1.5
783.45227	2.6
784.48077	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	783.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59877	0.7
62.76611	1.0
65.00191	11.3
69.27076	8.0
74.00494	0.8
80.07465	0.8
89.00191	1.9
91.01753	2.2
93.03317	3.5
97.02826	8.8
102.13136	0.7
121.02844	27.0
123.00748	1.4
125.02305	1.7
139.03922	3.8
149.02339	7.7
149.99522	2.0
165.01837	62.7
166.02141	3.0
183.02930	4.6
193.01352	28.5
194.01625	1.5
218.25679	0.9
224.20160	0.8
227.03455	1.3
243.02914	4.6
244.03612	1.1
255.02776	4.4
256.03778	1.9
259.06149	1.5
271.02414	4.5
272.03375	4.2
275.01840	1.7
285.04059	1.7
287.05597	2.1
300.02682	4.2
300.99890	6.5
313.03540	1.7
315.05087	100.0
316.05377	10.2
323.27542	0.9
395.00742	32.6
396.01071	3.0
467.04715	0.9
468.16260	0.9
548.19800	0.9
585.52875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.4
59.01235	1.8
61.98699	2.2
63.02246	1.4
65.00196	2.1
65.25941	0.5
68.17219	0.4
69.33149	4.1
71.01239	1.6
83.01247	1.5
85.02837	0.7
89.02283	0.6
93.03366	0.5
96.95914	1.2
97.02801	0.4
107.01265	3.5
108.02068	0.6
109.02808	1.0
113.02317	0.7
115.00249	0.6
121.02838	1.8
124.01611	0.7
125.02325	1.9
135.04390	0.5
137.02327	1.0
145.02827	1.9
147.04411	0.6
149.02333	1.6
149.05872	0.4
150.03140	3.1
151.00259	10.6
151.03386	0.9
152.01015	0.8
161.02339	1.8
163.00298	1.0
163.03838	0.5
164.01103	0.6
165.01724	1.0
165.05455	2.8
166.06107	0.6
169.01343	1.3
173.02304	2.0
174.03072	0.9
175.03891	1.5
177.01808	0.9
178.99785	2.6
179.03354	0.6
181.08540	0.5
183.04439	1.5
185.02428	0.9
187.03951	0.6
189.01753	1.5
190.02577	0.8
191.03354	0.6
191.05510	0.6
192.00410	0.5
195.06555	1.8
196.06799	0.9
198.03040	0.6
199.03961	1.1
203.03397	1.0
211.03957	1.9
213.01894	0.5
213.05513	0.6
215.03378	0.5
225.43781	0.4
226.02528	1.2
227.03490	2.9
229.01414	0.5
229.05045	0.8
233.05981	0.5
235.04016	0.5
239.03418	1.3
240.04341	0.5
241.01414	0.5
242.02142	0.8
243.02827	1.9
245.00874	0.9
254.02229	0.6
255.02948	8.6
256.03525	0.9
257.01044	0.4
257.04535	0.9
266.02039	0.5
267.02948	0.8
271.02457	10.3
272.02814	1.0
275.01886	1.8
277.04984	0.9
283.02478	1.6
283.07614	0.6
285.04041	2.3
289.07272	0.7
295.02417	1.4
299.01959	7.7
299.99963	0.4
300.02722	19.7
300.99927	3.2
301.03430	23.7
302.00504	0.7
302.03873	1.8
311.07166	0.9
323.06982	0.7
327.06519	1.0
337.04538	0.6
339.06506	1.7
343.11923	0.6
344.12317	0.7
345.12540	0.6
355.05954	1.8
359.14920	1.4
360.15424	1.3
366.05408	1.1
367.05869	1.1
371.05740	0.6
372.15115	1.0
382.04660	1.4
383.05655	2.5
384.06253	0.5
385.06992	0.8
399.05066	0.7
410.04214	0.5
411.05090	7.3
412.05212	1.0
413.06232	1.0
429.06070	10.1
430.06226	0.7
439.04565	8.3
440.04919	2.8
445.07770	2.2
447.09290	51.4
448.09717	4.9
456.04889	2.0
457.05606	100.0
458.05957	13.2
481.06403	0.6
585.10602	0.5
603.11407	17.3
604.11859	2.5
621.10358	0.8
637.12079	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	783.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77678	0.8
70.78841	2.3
73.07644	1.0
77.45716	0.8
89.41035	0.9
95.01218	1.1
95.03330	0.7
95.18130	0.7
110.33991	1.0
117.03325	1.1
123.00745	1.7
124.01420	0.8
125.02303	1.1
145.02861	2.5
147.04404	2.7
157.02797	2.2
159.04399	1.8
161.02423	1.2
163.03979	1.6
173.02354	3.5
175.03912	3.2
177.01797	1.4
185.02393	3.9
189.01823	1.2
191.03398	2.8
201.01871	6.6
203.03459	8.2
205.01399	1.1
213.01849	1.5
217.01248	1.2
219.02899	1.6
229.01352	12.7
230.01820	1.2
231.02954	5.5
245.01007	2.2
247.02422	1.6
249.03990	6.2
257.00894	13.4
258.01547	4.6
274.01123	2.2
275.01956	44.5
276.02240	3.7
277.50357	0.8
283.99524	4.2
299.99051	3.2
300.99884	100.0
302.00186	9.4
463.05118	1.0
481.06082	5.3
600.23047	0.9
782.92761	0.9
783.06683	22.6
784.06702	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	782.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	3.9
61.98705	9.7
66.94585	1.3
69.03326	2.0
69.93485	8.6
71.01218	1.8
75.18989	1.4
75.77185	1.6
78.95775	41.7
79.95610	2.2
80.96398	5.1
85.31554	1.4
88.98699	1.9
97.02805	2.2
98.20475	2.1
109.06443	1.6
111.08046	15.1
113.02306	1.7
122.00015	3.0
122.98356	1.5
140.01088	15.2
142.93251	1.4
148.34270	1.6
152.99484	6.0
153.12631	1.4
163.01613	1.5
165.12790	1.9
169.12245	8.1
171.10205	2.4
177.12735	1.7
179.10693	1.6
179.14352	2.7
180.20576	1.4
181.12251	1.9
185.11644	1.6
195.13812	11.0
196.03802	5.5
197.11768	60.0
197.28900	1.5
198.12115	4.8
199.13300	1.9
205.12216	1.9
209.11804	1.9
211.07719	2.8
211.13367	6.9
216.71318	1.5
223.07666	1.8
223.13338	6.7
227.12775	1.9
236.76109	1.3
263.20154	3.0
265.08743	2.4
275.20181	4.3
291.19626	21.4
293.21194	64.5
293.24515	3.5
294.21634	5.8
295.22610	8.5
300.99829	4.5
309.07425	1.6
309.20694	59.7
309.24301	2.9
310.21011	6.2
406.17981	1.5
472.34921	2.5
490.25540	7.1
506.25098	3.4
557.38263	1.8
782.46039	100.0
783.46436	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	781.4408
Annotation	lugdunin
Peak:m/z	Relative Intensity
58.11864	0.9
63.96110	2.3
69.03375	1.0
71.01252	11.4
71.29771	1.4
71.30126	1.0
73.02821	2.8
74.75145	1.1
78.16282	0.9
78.98469	9.2
79.95600	16.7
80.96387	100.0
81.03339	1.7
81.97581	0.9
85.02811	4.0
87.00759	3.4
94.97959	20.3
95.07488	0.9
96.95847	1.3
97.02849	2.8
101.02316	3.9
106.97957	2.5
122.97469	4.2
125.02321	4.1
127.03897	1.1
134.97470	8.7
136.98991	2.9
141.66649	1.0
148.99030	7.4
152.98531	9.0
164.98535	19.1
192.40143	0.9
206.99611	3.8
211.13304	2.2
224.98433	1.8
225.00674	26.8
226.01003	1.2
255.23268	2.1
281.68948	1.1
283.04828	1.2
289.33978	1.2
346.43631	1.1
525.20209	2.6
537.27570	1.8
623.01666	1.2
663.62683	1.2
781.44019	69.0
782.44220	17.2
782.57471	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	782.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.8
59.01251	6.1
61.98695	8.8
69.03323	2.0
71.01254	9.7
71.49535	1.6
73.02806	2.7
78.95773	51.1
78.98472	3.9
79.95606	7.3
80.95916	2.8
80.96394	47.7
81.03358	1.7
83.01251	2.3
83.04890	1.7
85.02837	7.0
87.00753	2.3
93.66653	1.5
94.97961	8.4
96.96845	2.8
100.47832	1.4
101.02337	2.3
111.08027	5.8
113.09608	2.0
122.00024	4.2
125.09621	2.4
127.25331	1.6
131.02380	1.7
131.03345	3.8
134.97507	2.8
135.11716	1.9
136.98927	2.1
137.09575	1.7
140.01093	13.0
145.53984	1.6
148.99039	5.4
152.98436	3.7
152.99600	8.4
154.83572	1.6
164.98582	6.3
165.12840	2.2
167.10701	3.4
168.33075	1.6
177.12613	2.6
179.14288	2.0
195.13835	20.9
196.03755	7.1
196.14371	2.4
201.11313	4.9
205.12289	3.0
206.99603	1.9
209.11806	13.2
210.11964	2.6
211.13272	3.1
215.12837	4.8
223.13322	19.9
224.97346	1.6
225.00729	13.1
226.00937	1.9
247.20679	1.9
255.23286	11.7
256.13254	2.8
275.20154	6.7
277.21741	5.6
289.18112	4.0
291.19659	58.2
292.20004	5.4
293.21228	100.0
294.21567	12.8
295.22687	17.8
307.19312	2.8
309.20688	6.2
488.24396	4.2
490.25757	4.8
593.34497	3.6
678.43750	1.9
696.38879	6.0
708.44690	3.2
723.46576	4.4
764.44733	5.7
765.43713	2.0
782.45972	45.3
783.42102	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.8
61.48560	1.1
61.98683	5.8
71.01241	11.4
73.02807	2.3
78.95750	3.4
78.98444	4.7
79.95596	10.9
80.96384	52.5
82.74957	1.2
85.02818	3.8
87.00753	3.7
89.02306	1.7
93.99921	1.1
94.97959	10.6
96.95877	1.5
101.02304	5.5
113.02309	2.4
125.02297	3.0
131.03352	1.5
134.97435	4.2
136.99017	1.8
148.99030	4.4
152.98450	2.3
152.99561	2.3
161.04428	2.4
164.98524	8.9
179.14288	1.7
195.13795	6.0
206.99649	1.8
209.11757	100.0
210.12079	5.9
223.13322	4.3
225.00710	14.6
235.08150	8.4
253.09212	14.8
255.23268	1.9
260.39102	1.6
275.20074	9.3
276.20413	1.6
277.21317	1.5
291.19626	1.5
293.21216	71.6
294.21533	5.9
426.22516	1.4
445.20880	4.4
529.30823	1.7
763.40027	1.5
781.40454	61.7
782.40656	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	781.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98190	0.9
71.01245	2.8
73.02841	0.7
78.95775	49.4
78.98441	1.8
79.95603	9.7
80.02527	1.4
80.96390	23.4
81.03315	1.9
83.04886	5.5
84.02034	1.1
85.02819	0.9
87.00758	0.6
90.42715	0.5
94.97948	4.2
95.04892	0.9
96.96841	12.5
97.74313	0.5
101.02323	1.1
106.97955	1.1
120.54627	0.5
122.97429	1.1
125.02291	0.7
125.05988	0.5
134.97464	1.7
134.98373	0.6
135.07997	0.7
136.99039	0.9
148.99030	1.3
152.98497	1.2
152.99530	9.8
163.11191	4.8
164.98534	3.4
165.12724	1.4
181.12294	1.0
191.10732	1.0
206.99586	1.0
209.11771	46.4
210.12080	2.3
223.00050	3.4
225.00719	6.9
225.02809	0.8
227.12822	4.0
241.01161	23.6
242.01408	1.2
255.23279	27.1
256.23547	2.6
259.02182	2.2
297.03995	0.5
315.04810	1.0
357.02390	0.6
363.11984	1.7
391.22519	2.1
525.16895	1.2
537.27374	0.6
553.27637	2.0
763.39203	5.1
764.39703	1.2
781.41211	100.0
782.41498	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	781.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04095	0.6
59.01250	0.9
61.98703	3.3
63.96094	1.6
69.03312	1.0
71.01249	10.0
73.02814	1.3
78.95779	5.1
78.98457	7.0
79.95602	45.1
80.96384	94.1
81.03316	1.3
82.95975	1.2
83.01257	0.7
85.02824	4.4
87.00729	3.4
94.97953	20.5
96.95861	1.9
96.96844	1.5
96.97491	0.6
97.02824	2.0
99.00732	1.0
99.04381	0.7
101.02319	2.7
106.97949	4.4
109.06484	0.7
122.97477	3.7
125.02335	3.0
127.03899	1.5
134.97470	6.5
136.98988	1.9
148.99039	7.6
152.98531	6.7
152.99565	1.0
161.04414	1.6
163.80548	0.6
164.98544	15.4
193.83160	0.6
195.91942	0.7
202.49799	0.6
206.99634	3.5
209.11717	3.2
225.00688	31.1
225.11111	0.7
226.00931	1.0
227.12668	0.7
241.00952	2.7
255.23286	5.2
256.23553	0.7
341.05426	2.5
425.14722	1.8
507.15332	1.5
525.16254	1.9
537.27148	4.1
637.33008	1.0
679.36963	1.2
735.40094	1.0
748.81299	0.7
763.39294	19.8
764.39478	5.8
781.40405	100.0
782.40839	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	781.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
59.19736	0.4
60.68557	0.4
60.85212	0.5
63.96098	1.3
69.03311	0.7
70.51661	1.0
70.52054	1.1
71.01250	7.5
71.08810	0.5
73.02815	1.8
75.00764	0.7
75.01163	0.4
78.98466	5.2
79.95602	100.0
80.96384	74.1
81.03329	1.0
81.96262	0.7
82.95958	0.6
85.02808	3.1
87.00737	2.9
87.88863	0.5
94.97961	16.0
96.95863	1.9
97.02808	2.2
101.02321	2.3
106.97963	3.4
111.94597	1.4
122.97446	4.5
125.02327	3.4
127.03902	1.5
134.97493	6.8
136.99062	2.8
148.99022	6.8
151.04187	0.6
152.98528	6.5
155.98363	0.5
161.04445	2.5
164.98529	13.6
167.00092	0.6
179.00053	0.8
189.24141	0.5
206.99596	5.0
207.10197	0.7
209.01147	0.6
223.99915	1.8
225.00682	26.8
226.01031	1.2
241.00172	3.9
255.23218	2.8
281.03232	0.8
283.04773	1.9
341.05450	6.9
355.07004	1.7
397.11816	1.1
397.34769	0.5
425.14816	7.2
507.15216	1.7
537.27417	5.7
538.27820	0.8
553.26746	1.0
609.29315	2.1
623.31042	1.4
628.26935	0.9
637.32416	3.4
638.32172	0.6
651.34076	1.4
665.35590	0.8
679.37091	2.9
680.37756	0.8
719.39771	0.7
735.39526	1.4
763.39380	42.1
764.39832	10.7
781.40448	36.8
782.40698	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	781.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12583	0.9
59.53960	0.9
60.18800	0.9
61.98686	4.2
63.19379	0.9
63.96111	2.2
69.03323	1.6
70.07867	4.5
71.01254	9.3
73.02808	1.4
78.95782	5.0
78.98465	6.5
79.95602	100.0
80.71582	0.9
80.96387	99.9
85.02798	3.0
87.00724	3.5
94.97960	21.0
96.95869	1.8
97.02825	2.2
98.20454	1.3
101.02309	3.9
106.97958	4.6
108.48534	0.9
108.92235	1.2
113.02335	1.0
119.75012	1.1
122.97463	7.1
125.02335	4.1
127.03889	1.3
134.97473	8.8
136.99002	3.5
145.89984	0.9
148.99045	8.3
152.98512	8.4
161.04413	2.9
164.98543	15.8
179.00179	1.4
200.62093	1.0
206.99605	5.5
209.11673	1.6
223.99889	1.7
225.00700	37.5
226.00867	1.3
241.00371	3.1
255.23322	6.1
283.04898	2.4
341.05319	5.7
342.06064	1.0
352.44592	1.2
355.07080	1.9
425.14774	4.2
507.14868	1.5
509.45090	1.1
537.27502	5.3
579.28937	1.3
585.98572	1.0
609.29492	2.2
637.32837	2.7
638.33392	1.4
651.35040	1.2
679.36646	3.0
735.39087	1.6
763.39294	40.5
764.39673	11.3
781.40460	58.1
782.40662	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	779.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24160	2.5
70.24573	1.6
71.01254	6.8
73.02807	1.9
74.08080	0.8
78.98466	6.0
79.95599	12.4
80.96384	65.6
85.02824	2.7
87.00761	2.0
94.97958	15.5
96.95879	1.0
97.02807	1.3
98.19916	1.0
101.02314	2.2
106.97963	2.7
112.83267	0.9
122.97451	2.6
125.02334	3.2
127.03977	0.9
134.97520	5.3
136.98958	1.2
141.38527	0.9
148.99054	8.6
149.99326	0.9
152.98547	5.9
164.98540	13.2
206.99615	2.6
209.11775	1.1
224.98433	1.2
225.00693	23.4
226.00822	0.9
269.24704	1.2
509.17041	2.9
543.59094	1.0
551.29114	2.0
671.16553	1.1
779.42432	100.0
780.42865	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	779.458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
59.01245	21.7
60.90841	0.4
61.98676	1.0
63.17075	0.4
69.03325	0.9
70.56826	0.4
70.87936	0.7
70.88247	0.5
71.01246	3.6
71.04877	0.4
73.02801	0.7
78.95766	4.3
80.96379	1.8
81.31784	0.4
83.01219	0.6
83.04865	0.4
85.02818	1.4
85.06478	0.5
87.00767	1.1
89.02320	1.8
92.55297	0.4
95.04899	0.4
96.96839	1.0
97.02791	0.6
100.08461	0.4
101.02319	3.3
102.29790	0.4
109.06442	1.4
113.02318	1.7
119.03405	0.9
125.09576	0.4
137.27399	0.4
143.03516	0.4
145.04964	0.7
152.99493	1.1
161.04399	1.2
167.10680	2.0
177.12695	0.4
179.10683	0.9
179.14355	2.9
195.13814	7.8
196.14235	0.4
198.98048	0.4
205.12248	7.1
207.10222	1.5
215.34564	0.4
223.13326	80.1
224.13683	4.0
225.11278	1.6
235.08159	5.4
241.01141	2.1
253.09224	9.2
254.09616	0.4
255.23343	2.0
277.21695	100.0
278.22021	9.6
334.88885	0.5
441.21524	1.9
442.21307	0.6
459.22293	7.0
460.22626	1.0
513.30640	1.2
549.57935	0.5
617.39343	0.4
712.89203	0.5
719.43695	1.3
779.39691	8.2
780.40564	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	779.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02260	1.7
65.00192	3.3
65.35632	1.0
71.01250	2.5
83.01248	3.4
85.02803	1.1
93.03372	1.1
100.89271	0.9
107.01259	6.9
109.02827	2.8
121.02828	6.9
151.00267	30.9
152.00555	1.2
163.00266	4.2
169.01329	1.4
177.85599	1.0
178.99789	13.2
185.02367	2.7
201.01823	1.9
211.03841	1.2
227.03423	2.3
229.01349	4.1
229.05023	2.2
245.01059	1.1
245.04433	3.4
255.02931	5.1
257.00815	1.6
271.02301	1.4
273.03998	3.2
283.02457	2.5
283.99591	2.8
299.99158	2.8
300.99887	51.3
301.03531	100.0
302.00308	2.8
302.03867	7.3
477.06711	44.3
477.13419	2.4
478.06961	5.8
755.29834	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	777.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
61.30893	2.3
61.98695	17.3
70.66563	6.7
71.01260	3.4
78.95770	21.4
79.95578	2.1
80.02513	2.4
80.96401	2.6
83.04876	4.7
96.95896	5.6
96.96849	2.8
109.43994	2.3
120.04060	2.2
134.98390	3.1
152.84277	2.3
152.99431	7.3
163.11131	3.6
171.10158	5.8
195.13954	3.8
209.11777	100.0
210.12224	4.3
216.85260	2.6
227.12840	23.4
231.33345	2.5
235.08121	7.5
253.09241	14.7
253.11526	2.3
265.43185	2.1
266.50302	2.5
277.21753	4.6
293.21112	4.6
295.22797	65.4
296.23218	4.3
414.35941	2.5
445.20767	10.3
456.83047	2.7
465.22540	4.9
777.42676	45.8
778.42456	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	777.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.0
59.01251	14.7
61.98701	8.9
68.99686	6.0
69.03316	3.4
70.06898	3.9
70.07263	2.0
71.01254	11.9
73.02814	1.7
78.95786	5.3
81.03308	1.6
83.01260	2.2
83.04888	3.0
85.02823	6.0
87.00742	3.6
89.02316	5.3
91.07368	1.0
93.03313	3.2
95.01257	1.5
95.04888	1.9
97.02825	1.6
97.06444	3.0
101.02322	8.6
106.04113	8.2
107.04926	6.9
109.06451	3.1
113.02327	5.1
119.03400	1.4
119.04905	2.1
123.04349	1.2
125.02326	1.3
132.05666	3.0
138.03075	1.6
141.00778	1.1
152.99484	2.7
159.11725	2.7
161.04478	2.7
167.10641	2.0
177.12759	24.7
178.13162	2.0
179.14308	1.5
183.08031	1.3
195.13834	55.0
196.14314	3.1
203.10695	26.7
203.14320	4.5
204.11024	1.4
205.12241	2.5
211.13321	1.7
219.13889	1.2
221.11758	18.3
222.12192	1.3
223.13341	14.4
229.12311	12.2
230.12654	1.5
235.08157	7.8
237.14922	41.1
238.15152	2.1
239.12862	1.2
247.13358	60.4
248.13638	5.7
253.09238	13.8
256.12958	1.3
265.14395	11.2
275.20181	10.8
277.21710	2.2
293.21207	100.0
294.21561	7.9
296.22989	1.7
358.06992	1.1
457.20645	5.6
465.21045	2.1
473.23801	2.9
483.22293	12.9
501.23798	6.9
733.41791	2.9
759.43402	4.9
760.43494	2.6
777.44281	96.9
778.44641	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	777.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96094	1.7
69.03315	1.1
71.01240	7.8
73.02796	1.3
78.95765	9.2
78.98459	5.6
79.95604	15.2
80.96387	66.8
85.02816	2.1
87.00738	2.7
94.97958	16.0
96.95855	1.6
96.96832	1.9
97.02814	1.5
101.02332	2.0
106.97956	2.2
119.72657	0.7
122.97488	1.7
125.02306	1.7
127.03892	0.8
134.97510	4.5
136.99072	1.1
138.34396	0.7
148.99031	4.8
152.98492	3.1
152.99539	2.1
164.98535	9.1
190.74937	0.7
195.13914	0.9
206.99634	2.0
223.13403	3.5
225.00691	11.3
229.43147	0.9
241.01128	3.8
255.23183	6.4
256.23508	0.9
361.51779	0.7
391.22458	0.9
420.02585	0.7
521.16779	2.0
526.76874	0.8
537.27008	0.9
777.41046	100.0
778.41425	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	777.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.2
61.98698	16.3
69.45903	2.1
69.46307	6.9
71.01279	2.5
72.99179	2.4
75.00744	25.8
78.95766	2.1
87.00735	1.3
88.98663	3.3
96.95877	2.0
98.20472	1.8
109.06434	1.1
116.92752	1.2
117.03349	1.2
123.04423	1.3
125.02304	1.5
135.04475	2.0
137.02252	1.5
147.98175	1.2
157.02829	3.7
161.02354	18.9
162.02664	1.2
163.03885	1.4
173.02306	4.2
174.03105	3.9
175.03926	7.8
187.03880	9.1
188.04576	1.9
189.01859	3.2
191.05534	2.1
195.13986	1.2
209.11778	4.2
211.03903	2.0
211.13440	1.6
213.01901	6.9
214.02634	16.3
223.07463	1.5
223.13277	1.5
224.04720	1.8
233.06076	1.2
239.03430	1.8
239.07117	3.9
251.07149	6.9
261.05484	2.6
262.06317	1.9
264.04318	2.5
267.06561	2.1
277.04974	1.3
278.05823	1.6
279.06598	14.5
280.07080	1.6
281.08102	1.3
289.05042	2.6
290.05817	2.0
291.19571	3.2
300.04395	1.4
300.99826	3.0
305.04507	1.7
306.05231	5.1
309.07758	3.4
317.04483	2.0
318.05423	2.0
329.04437	3.6
333.03979	1.5
334.04825	2.3
342.05222	1.4
345.04001	3.0
346.04840	3.4
358.04684	1.8
363.06644	1.2
367.05887	6.4
368.06232	1.6
377.08194	2.3
379.09909	1.5
382.08493	14.9
383.08838	4.8
393.08118	1.7
404.06503	1.7
405.07758	4.2
417.07578	4.0
420.06415	4.3
421.07034	11.2
422.07639	6.0
423.08679	4.4
424.09369	2.4
429.07831	1.4
434.07956	1.5
447.08685	5.2
465.06525	1.6
489.11292	1.6
507.12311	2.1
509.10400	1.8
516.10413	1.7
517.10736	4.4
533.10474	3.2
534.11041	3.8
535.11829	7.2
536.12335	1.9
550.09839	1.6
553.13177	1.6
561.09644	2.4
568.11261	2.1
569.11859	1.7
578.09808	4.1
579.10760	16.5
580.11365	4.0
595.09369	1.5
596.11102	100.0
597.11725	55.2
598.12189	7.6
614.12299	3.7
615.12848	4.6
616.13623	1.4
759.17365	14.0
760.17615	3.2
777.18085	3.6
777.41376	2.2
778.19873	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	777.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55714	1.0
59.01236	3.4
61.98702	14.3
62.18779	1.2
62.97433	0.9
69.03310	1.1
69.56121	0.9
70.99078	3.1
71.01239	2.3
75.00738	8.0
78.13238	1.2
78.95790	1.2
87.00748	1.5
88.98676	2.6
96.95888	2.1
98.19724	1.2
105.01813	2.7
109.02785	0.9
113.02294	0.9
116.92764	1.3
117.03387	1.0
125.02319	1.4
135.04416	2.9
145.02840	1.1
147.21445	1.0
147.97743	1.0
157.02864	2.0
161.02345	20.5
162.02654	1.0
163.03935	1.2
173.02257	5.3
174.03130	6.7
175.03880	5.5
187.03920	9.2
189.01794	1.8
191.05409	1.1
199.03906	1.3
203.03255	1.0
205.04832	1.2
207.04480	1.1
209.11746	3.2
210.12144	1.7
211.03847	1.7
213.01929	7.2
214.02652	18.3
215.03140	1.8
221.05859	1.3
223.07472	1.5
224.04530	2.5
235.08063	1.3
237.05498	1.9
238.06165	2.0
239.03487	2.3
239.07121	4.1
245.06004	1.1
251.07127	5.2
252.07367	1.0
253.09000	1.5
254.05698	1.6
261.05618	1.7
262.06342	2.7
264.04190	3.6
267.06476	2.5
269.08237	1.9
273.97855	1.0
277.04956	1.6
279.06570	15.9
280.07050	2.8
281.08112	3.4
289.04822	1.8
291.06558	1.4
300.99911	1.9
301.04938	2.0
305.04395	3.5
306.05197	5.6
307.06006	1.1
309.07645	2.6
310.20868	1.5
317.04440	1.8
318.05185	1.3
319.06082	1.3
329.04422	3.5
333.03796	2.0
334.04730	5.3
345.03940	2.6
346.04761	4.7
347.05811	1.2
355.06152	1.0
357.03989	1.5
359.05969	1.2
367.06247	5.0
371.05460	1.3
376.07181	1.5
377.08075	3.2
382.08420	16.7
383.08990	3.0
394.08542	1.4
405.07733	3.4
406.04855	1.1
417.07608	3.7
420.06348	3.0
421.07062	9.2
422.07877	5.1
423.08826	4.8
430.08511	1.4
434.07806	2.5
435.08737	2.2
439.08194	2.3
447.08850	4.9
448.09424	1.6
451.08463	1.2
497.10760	1.6
506.07471	1.3
507.11832	1.7
509.10699	1.2
516.09680	2.0
517.10651	4.5
524.11914	1.1
533.09808	2.1
534.10876	4.0
535.11749	7.2
536.12109	2.3
537.09003	1.2
551.11151	4.3
553.12823	2.1
561.09534	2.4
568.11615	3.1
569.12323	2.4
578.09821	2.1
579.10760	19.5
580.11133	4.7
596.11090	100.0
597.11694	59.3
597.26111	1.3
598.11951	9.2
614.11938	4.8
615.12872	4.6
759.17255	11.4
760.17657	4.0
776.35785	1.2
777.18750	3.0
777.35223	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	777.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	3.1
61.98703	14.5
62.22540	0.9
71.01250	2.2
73.64415	0.9
75.00729	1.4
78.95770	1.8
80.83121	1.0
87.00742	1.6
88.98660	2.4
96.95879	1.6
99.33193	1.0
101.02286	1.8
105.01818	1.6
109.02834	1.4
113.02351	1.4
116.92744	1.5
117.03381	2.5
121.06485	0.9
123.56790	0.9
125.02327	2.4
135.04425	2.4
145.02893	1.2
157.02852	3.2
160.01552	0.9
161.02351	20.0
163.03874	1.2
171.10172	1.3
173.02414	5.8
174.03128	4.6
175.03931	5.7
187.03911	8.7
188.04536	1.4
189.01859	3.5
191.05434	1.1
195.93127	1.0
201.05478	1.3
209.11725	4.1
211.03894	1.8
211.12082	1.0
213.01810	6.0
214.02657	18.5
215.03168	2.1
216.06021	1.1
223.03896	1.2
223.07585	2.4
224.04634	2.9
237.05519	2.2
238.06363	1.5
239.03400	1.3
239.07108	5.2
249.05519	1.5
251.07251	4.7
251.09460	1.2
253.09334	1.0
261.05664	2.6
262.06232	1.8
264.04211	3.0
265.05035	1.5
267.06567	1.5
269.08081	1.5
277.05133	1.6
279.06607	19.7
280.07050	1.6
281.08206	2.7
289.04901	1.8
290.05978	1.5
291.06671	1.7
300.04285	1.3
301.04819	1.2
305.04498	4.1
306.05243	4.7
307.06097	1.3
309.07596	3.8
310.20996	1.2
317.04553	2.3
318.05396	1.4
329.04419	3.6
333.04068	2.0
334.04831	3.6
345.03888	2.9
346.04779	3.9
355.06168	1.1
357.03836	1.8
365.08191	1.4
367.05963	7.1
370.04501	2.1
373.08536	1.3
377.08203	2.8
379.09943	1.7
382.08386	15.1
383.09042	3.0
389.07803	1.1
403.06104	1.1
405.07846	3.0
417.07840	2.7
420.06256	4.3
421.07013	11.8
422.07938	6.5
423.08853	5.6
430.08521	1.4
434.08032	2.3
435.07990	1.5
439.08356	2.3
441.10294	1.2
447.08591	4.3
450.09946	1.3
459.08774	1.4
475.08990	1.3
488.10510	1.6
490.12207	1.4
497.11316	1.3
505.10413	1.3
506.11588	1.1
507.12491	1.6
516.10120	3.0
517.10785	3.6
533.09961	2.0
534.11121	4.5
535.12036	6.7
551.11096	2.5
552.12164	2.0
568.11456	2.1
569.12231	2.1
570.12573	1.3
578.10205	2.7
579.10748	18.3
580.11212	3.5
596.11090	100.0
597.11743	59.1
597.20013	1.3
598.12354	8.5
614.11975	3.8
615.12451	3.8
621.12164	1.3
741.17548	1.1
759.17261	14.6
760.17432	2.5
776.33765	1.4
777.18127	3.4
777.33948	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	775.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.00956	0.5
59.01245	5.9
60.99184	0.5
61.98705	6.0
69.03310	0.6
69.42290	2.1
71.01255	5.2
72.99192	0.7
73.02811	1.1
75.00717	0.3
78.95761	0.4
80.02540	1.3
81.03330	1.3
83.01241	1.1
83.04896	4.8
84.02045	0.8
85.02812	1.9
87.00745	1.6
88.98672	2.5
89.02317	3.6
93.03293	0.4
95.01236	0.9
95.04868	0.8
96.95889	1.1
97.02808	0.5
97.06424	0.5
99.08025	3.6
101.02317	4.3
109.02832	0.5
109.06474	0.7
113.02340	3.2
116.92732	0.5
119.03374	1.2
123.00815	0.5
123.04364	0.7
125.02318	1.4
125.05881	0.5
125.09564	1.2
127.11175	2.3
135.04350	0.4
135.08037	0.7
137.09637	0.4
139.11189	3.7
141.01740	0.5
143.03397	0.6
145.04926	0.4
149.02423	0.3
155.10719	0.5
155.14293	0.5
157.04961	0.6
157.12259	0.8
161.02333	0.5
161.04451	2.4
163.11205	3.8
165.12787	2.2
167.14320	0.9
169.01346	0.7
171.10175	15.0
172.10561	1.0
175.03900	1.4
179.05560	0.5
181.12294	0.6
183.13832	2.4
185.11786	0.8
187.03882	0.3
191.05518	0.5
191.10722	0.6
193.12247	0.6
197.11751	1.6
199.13235	0.7
209.11766	100.0
210.12106	6.7
211.13341	14.3
212.13690	0.7
216.63939	0.4
227.12823	12.1
228.13110	1.0
229.14400	9.3
230.14745	0.6
233.08125	0.4
235.05849	0.4
235.08195	8.2
253.09256	21.0
254.09561	1.2
271.02338	0.5
293.21155	1.5
300.02460	0.4
300.99921	0.5
301.03229	0.4
311.22260	8.8
312.22742	1.1
327.21527	0.6
328.22195	0.6
329.23318	72.6
330.23672	8.2
397.13626	0.4
445.20758	2.1
463.21567	0.5
496.03952	0.5
521.34839	1.4
539.35815	0.7
547.30853	1.9
565.32336	3.1
566.32758	0.7
775.36694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71178	2.0
61.98702	14.1
71.01246	4.8
71.16663	3.2
71.16999	2.7
78.95766	16.0
82.49706	2.2
83.06474	2.0
97.83682	1.8
126.56866	2.2
152.99451	7.4
160.56538	1.8
243.23672	2.4
277.21658	3.1
295.22665	8.1
439.37888	2.2
476.57626	2.5
561.92700	2.4
739.46204	6.7
775.44037	100.0
776.44318	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45414	2.4
61.98707	17.8
65.75887	2.8
67.26623	3.1
69.44035	7.9
69.44445	13.1
75.00731	4.1
78.95773	100.0
80.96394	3.2
83.04887	3.1
96.95896	10.3
96.96838	6.6
113.09583	4.9
116.53258	2.9
137.05238	2.9
143.51927	2.6
152.99490	46.8
163.11331	2.8
169.92841	2.9
171.10144	10.4
191.05513	3.3
197.11768	6.6
209.11771	49.3
211.13344	9.1
223.13432	7.0
227.12819	14.7
229.14304	4.5
253.09209	7.1
259.42224	3.4
291.19745	6.4
293.21210	71.7
294.21591	9.5
303.11636	3.3
327.21658	4.4
329.23373	11.8
346.43942	2.8
348.63449	2.8
427.19064	3.1
463.20682	4.5
465.22629	9.4
529.29889	10.2
617.77460	3.3
648.99542	3.1
750.01935	3.1
757.42908	7.6
775.41992	38.1
776.42328	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	773.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
55.35529	0.2
57.03320	1.3
58.00471	0.3
59.01245	4.4
61.98707	1.4
66.49168	0.3
69.03313	0.9
71.01250	4.8
71.07787	0.5
72.99196	0.3
73.02805	0.8
80.02544	1.0
81.03319	1.1
83.01246	0.8
83.04887	4.6
84.02042	0.8
85.02815	5.4
87.00745	1.0
89.02306	3.1
95.01256	0.5
95.04889	0.7
96.95871	0.4
97.02818	1.0
97.06462	2.5
101.02309	3.8
109.06449	0.6
113.02334	2.6
119.03381	0.8
119.08609	0.2
123.08061	0.4
125.02345	0.3
125.05967	0.5
125.09614	0.7
127.11160	1.1
135.08043	0.5
137.09596	1.6
141.93147	0.3
143.03407	0.6
145.04984	0.6
149.09534	0.3
155.10657	0.7
157.04939	0.3
161.04434	2.1
162.39525	0.2
163.11189	3.8
165.12766	2.9
167.14330	0.3
171.10170	15.3
172.10481	0.6
177.12674	0.4
179.05553	0.6
181.12254	0.8
183.13834	2.2
185.11775	0.5
186.14919	0.3
191.10658	1.0
193.12267	0.8
193.37460	0.3
197.11778	0.4
199.13194	0.5
201.11177	0.5
203.10812	0.3
209.11757	100.0
210.12096	6.1
211.13315	9.4
212.13696	0.6
221.11781	1.5
226.33684	0.3
227.12823	12.4
228.13229	0.5
229.14400	7.1
235.08183	8.0
236.08517	0.3
239.12939	1.3
247.20647	0.3
253.09242	17.7
254.09584	1.2
291.19638	3.2
292.19836	0.3
308.78757	0.3
309.20670	7.2
310.20984	0.6
327.21732	63.3
328.18414	0.5
328.22095	6.0
390.72263	0.2
445.20752	1.9
446.20837	0.3
519.33228	1.3
537.34204	0.4
545.29987	1.0
546.30096	0.3
563.30859	3.0
564.30902	0.5
705.22217	0.3
755.41919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.2
61.98694	29.6
71.01248	6.9
71.05920	3.4
76.23643	1.8
78.95775	100.0
79.95580	2.6
80.96395	6.3
83.04882	3.1
88.98685	4.4
96.95892	3.3
96.96833	5.7
97.94448	2.2
101.02340	2.8
101.21861	1.8
125.02248	1.9
125.09617	3.4
152.99484	40.3
163.11243	4.5
171.10181	10.8
180.18207	2.0
195.13870	6.4
197.11691	3.1
207.10190	16.0
209.11754	23.2
210.12201	2.7
211.13303	2.5
223.13403	10.8
225.11246	4.3
227.12856	4.3
253.09296	9.8
277.21872	4.1
282.00354	1.9
291.19577	10.9
293.21231	42.6
294.21561	6.7
295.22696	16.8
327.21628	9.2
328.22092	2.1
395.96280	2.3
445.19876	4.8
447.21802	4.1
461.19659	5.2
463.20999	3.3
529.29968	3.8
620.85840	1.9
687.35291	4.0
725.25232	2.4
737.41016	14.7
738.41779	3.2
755.41321	7.4
773.41876	21.8
774.42523	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	772.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.2
61.98700	100.0
62.98409	0.2
62.99117	0.1
71.01253	0.3
78.05658	0.1
78.95779	1.2
85.02815	0.1
116.92728	0.4
117.92719	0.1
118.39953	0.1
125.09646	0.1
152.99521	0.6
153.53418	0.1
162.57391	0.1
163.19379	0.1
171.10184	0.2
195.13754	0.1
196.12697	0.1
197.11819	0.2
198.12123	0.2
207.10274	0.1
209.11797	0.2
282.59232	0.1
293.21213	0.6
329.23523	0.2
524.35333	0.1
772.43604	0.2
773.45428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89004	2.2
57.03325	3.0
57.03698	2.6
59.01249	18.2
61.98696	60.3
71.01247	14.2
71.50964	4.0
73.02815	4.9
75.00733	10.1
78.95784	3.6
79.95625	4.0
80.96393	2.7
81.03342	3.0
83.04919	4.4
85.02824	4.7
88.98682	7.7
89.02303	4.6
89.96381	2.5
93.03362	2.7
96.95865	22.8
96.96886	2.6
97.02846	3.6
99.00729	2.6
101.02320	7.5
109.02857	3.7
109.06476	3.1
121.02773	4.3
123.00785	3.3
123.04416	3.5
125.02327	9.1
135.02873	6.5
135.04367	5.0
137.02338	7.4
150.62791	2.5
160.73056	2.9
161.02287	7.0
166.44533	2.4
169.01329	5.7
171.10152	8.7
174.03110	3.1
175.02534	2.6
175.03900	13.7
179.03394	3.8
189.01791	2.7
199.13293	5.0
209.11752	100.0
210.12085	9.1
211.13335	5.4
227.12859	31.3
229.01427	2.9
229.14435	5.5
235.08151	4.6
253.09264	13.8
255.23253	2.8
300.02573	3.2
300.99792	8.1
309.20682	6.0
323.01901	3.0
327.21774	31.3
328.21884	3.5
346.04340	2.8
359.27997	3.8
385.03400	9.1
430.08484	3.1
431.09073	18.4
432.09424	4.9
445.20618	10.0
449.10147	11.9
450.10818	3.5
463.21783	5.8
475.07889	6.3
477.68091	2.7
569.05273	2.8
593.09888	4.4
611.11755	3.1
625.76294	3.1
637.32330	4.5
773.36670	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	771.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13211	1.5
57.03299	2.1
59.01245	9.4
61.98431	1.4
61.98690	8.3
68.18509	1.3
70.85567	3.3
71.01262	10.2
73.02802	1.9
73.99937	1.3
78.95778	14.2
80.02568	1.5
82.30276	1.5
83.04910	3.9
85.02817	3.7
87.00755	2.5
89.02298	3.4
95.21397	1.3
101.02306	4.1
109.06451	2.1
111.08021	2.2
113.02332	2.8
117.74677	1.3
119.15285	1.5
152.99490	6.9
161.04422	2.8
163.11172	3.9
163.15984	1.5
165.12669	2.7
167.10710	1.4
169.12300	2.4
171.10216	12.2
181.12155	1.4
185.11824	1.5
193.30949	1.6
195.13828	7.7
197.11713	5.6
201.11275	4.0
207.10202	5.8
209.11760	100.0
210.12160	7.8
211.13374	2.4
223.13434	6.6
225.11238	9.2
227.12827	13.9
235.08212	3.4
253.09283	23.1
254.09592	1.5
259.15475	1.7
275.20105	5.1
291.19623	12.6
292.19769	1.6
293.21201	88.5
294.21512	6.2
309.20667	4.4
311.22220	2.0
325.23782	4.1
327.21732	5.8
424.25330	1.4
443.19061	2.1
445.20416	2.7
461.19583	2.3
558.79486	1.8
597.36951	1.4
635.63324	1.8
753.40240	3.4
754.39197	1.5
766.88599	1.8
771.40997	13.2
772.40973	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	771.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71120	1.1
57.03318	3.7
58.00465	2.1
59.01249	17.7
61.98696	9.4
67.01758	1.1
68.99683	1.5
69.03318	5.0
69.46095	2.1
69.46508	5.8
71.01247	59.5
72.99170	3.2
73.02818	8.3
75.00723	1.7
78.95770	1.6
80.02548	2.4
81.03332	3.5
83.01246	4.0
83.04883	8.0
84.02023	1.4
85.02824	8.1
87.00742	7.1
89.02303	8.8
95.01263	3.1
95.04890	6.0
96.95882	6.0
97.02836	11.7
97.06477	4.3
99.00760	3.8
99.04379	1.3
101.02303	10.8
107.04885	1.7
109.06466	13.5
111.00751	1.6
111.04411	1.4
111.08035	7.2
113.02332	9.5
119.03432	1.9
119.08538	1.3
123.04448	1.9
123.08027	2.0
125.02339	1.3
125.09610	8.9
127.11196	5.4
135.08038	3.8
137.02380	1.6
137.09633	3.8
137.81563	1.2
139.07568	1.8
139.11145	1.7
143.03401	2.4
145.04947	1.2
149.09586	1.9
151.11201	2.2
152.99481	1.7
153.12730	3.0
155.10669	2.5
161.04442	4.9
161.09621	2.0
163.11180	17.4
164.11540	2.4
165.09103	1.3
165.12747	7.9
167.10629	1.6
169.12254	4.3
171.10172	100.0
172.09160	1.2
172.10487	5.4
174.93954	1.1
179.10672	2.4
179.14357	1.4
181.08708	1.2
181.12209	7.2
183.13768	2.1
185.11708	7.5
189.09109	3.3
191.10634	1.9
191.14328	1.9
193.12265	2.1
197.11763	31.1
198.12070	2.4
199.09590	1.4
199.13295	3.1
201.11244	45.4
202.11583	1.3
207.10190	39.8
208.10550	3.6
209.11757	73.6
210.12122	4.2
211.13339	14.7
212.13680	1.3
213.11259	1.4
215.12852	7.9
223.13274	2.1
225.11252	72.2
226.11662	4.9
227.12848	12.1
235.08174	12.5
243.12440	6.2
245.19067	3.2
247.20604	4.6
248.52911	1.2
253.09242	34.2
263.20294	1.9
273.18558	1.6
289.18024	10.2
291.16333	2.2
291.19638	44.6
292.19891	5.3
293.21320	7.0
295.10349	2.7
302.79251	1.2
303.73459	1.2
307.19138	8.9
309.20682	94.8
310.21005	10.1
341.23294	3.1
406.55496	1.2
407.18921	2.3
443.19028	2.5
461.20145	14.4
462.20822	1.5
479.21109	2.5
489.57773	1.3
493.31723	1.6
753.40643	6.1
754.41235	1.6
771.41760	19.6
772.41718	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	771.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22393	1.0
55.01750	2.2
56.64740	1.1
57.03316	2.7
58.00467	2.5
59.01247	17.6
61.98689	2.5
69.03320	4.6
70.98944	2.0
71.01250	29.2
71.46695	1.0
72.99177	2.0
73.02811	5.8
77.37704	0.9
80.02586	1.5
81.03328	2.3
83.01262	2.6
83.04887	6.8
84.02045	1.8
85.02819	8.2
86.53647	1.0
87.00742	5.7
88.98704	1.3
89.02338	7.6
93.03331	1.1
95.01254	1.7
95.04886	3.9
97.02817	12.8
97.06462	3.3
98.20428	1.5
99.00761	3.2
101.02327	10.1
107.04923	1.0
109.06454	7.1
110.03589	1.4
111.00747	1.9
111.08041	3.1
113.02317	6.3
119.03378	1.5
121.06479	1.3
123.07992	1.5
125.09617	10.1
127.11179	5.2
135.08113	1.8
137.09624	6.0
139.07521	2.8
143.03404	2.6
145.04990	1.9
149.09616	1.3
151.11174	1.9
153.12737	1.5
155.10707	3.0
161.04483	3.7
161.09628	2.4
163.11192	14.1
165.09134	2.1
165.12735	9.6
167.10701	1.8
169.12228	2.1
171.10173	92.7
172.10512	4.5
177.12802	1.1
179.05519	1.2
179.10683	4.3
179.14394	1.3
181.12236	6.6
183.10147	1.2
183.13849	1.7
185.11766	8.0
189.09099	1.9
191.14345	2.1
193.12273	2.0
197.11760	14.1
199.09515	1.4
201.11246	37.4
202.11601	1.2
207.10187	29.1
208.10558	2.1
209.11754	58.9
210.12157	4.4
211.13260	6.6
215.12849	6.4
221.11670	1.1
225.11255	58.5
226.11636	4.0
227.12831	10.6
228.13191	1.4
235.08185	9.7
239.98953	1.0
243.12350	3.6
245.19089	3.6
247.20705	6.0
253.09241	27.2
254.09508	1.4
256.24252	1.1
263.20151	1.3
273.18552	2.1
277.09192	1.4
289.18152	12.7
291.19650	55.6
292.19946	5.8
293.21225	3.8
295.10355	3.0
307.19113	8.4
309.20682	100.0
310.21036	9.9
330.36417	1.0
443.19409	2.3
461.20322	10.6
483.94672	1.1
545.29260	1.2
753.40686	6.6
771.41907	11.2
772.41577	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	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
56.48343	0.3
57.03307	0.6
59.01249	4.4
60.92088	0.3
61.98703	3.8
63.37313	0.2
69.03313	0.4
70.63043	1.0
71.01253	4.7
71.04882	0.6
73.02819	1.3
75.00742	0.4
78.95798	0.4
80.02547	1.2
81.03322	1.7
82.77628	0.3
83.01250	1.0
83.04898	5.3
84.02030	1.1
85.02830	1.7
85.43665	0.2
87.00744	1.1
88.98676	0.7
89.02321	2.2
93.03306	0.4
95.04904	1.4
96.95885	1.6
97.02815	1.0
97.06449	1.0
99.00781	0.5
99.04394	0.6
99.08005	0.3
101.02324	4.1
106.04102	0.4
109.06477	1.9
111.00703	0.4
111.08038	0.5
112.05177	0.6
113.02333	1.8
113.05928	0.3
115.07536	0.6
119.03385	0.7
121.02839	0.4
121.06464	0.3
123.04401	0.9
123.08023	0.5
125.02344	0.9
125.05981	0.4
125.09602	2.2
127.07547	1.1
127.11207	0.4
129.01826	0.3
135.08099	1.4
137.02312	0.3
137.09607	0.3
139.00287	0.3
141.09143	0.4
143.03365	0.4
145.05028	0.5
147.08044	0.3
153.09125	5.6
155.10666	0.4
160.79605	0.3
161.04488	1.6
163.11208	5.4
164.11401	0.3
165.12750	2.9
171.10187	13.3
172.10455	0.6
173.09718	0.3
173.40050	0.2
175.03908	0.7
178.09900	1.0
179.05495	0.9
179.10602	0.4
181.12221	1.1
183.13834	0.3
185.11794	2.5
191.10710	2.5
191.14500	0.4
195.13821	0.3
197.11748	2.7
199.13332	0.4
201.11232	1.6
207.10178	2.8
209.11768	100.0
210.12100	6.4
210.14015	0.5
211.13350	2.0
221.11780	0.5
223.13298	0.3
225.11333	1.7
227.12843	14.0
228.13155	1.2
229.14468	0.3
235.08176	3.9
237.14767	0.5
238.12051	0.6
239.16470	0.3
245.19080	1.0
249.15005	0.4
253.09242	9.5
254.09491	0.3
279.19678	0.4
289.07306	0.3
289.18112	7.2
291.19708	0.5
297.20609	0.5
300.99915	0.3
307.19144	23.0
308.19492	2.4
309.20691	1.1
325.20197	13.0
326.20514	1.1
327.21811	2.3
345.20676	0.9
363.21603	0.5
373.26111	0.3
407.19022	0.5
415.23083	0.3
445.20816	1.2
461.20456	0.5
463.22043	0.3
499.30295	0.3
525.27039	1.4
543.28058	4.2
544.28864	0.5
561.29028	1.1
581.29773	0.4
610.11975	0.3
611.30676	0.3
654.84918	0.4
666.32404	0.5
684.33942	0.9
685.34204	0.4
735.39716	3.0
736.40729	0.4
753.40637	4.9
754.41113	1.0
771.42548	2.4
772.42120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01709	0.1
57.03320	0.1
59.01251	0.6
61.98702	8.0
63.99117	0.1
65.89312	0.1
69.66086	0.1
70.53205	0.2
70.53590	0.3
71.01245	0.5
73.02814	0.2
75.00744	0.1
78.95776	3.7
79.95606	3.2
80.67445	0.1
80.96419	0.6
83.04894	0.2
83.85224	0.1
85.02825	0.3
87.00736	0.1
88.98639	0.2
93.03340	0.1
94.97958	0.4
96.95889	100.0
96.96774	4.3
97.95814	0.3
98.02350	0.3
101.02307	0.2
107.84109	0.1
109.02787	0.2
116.92721	0.2
121.02824	0.3
125.02341	0.4
128.26443	0.1
134.18095	0.1
135.02896	0.2
135.04405	0.1
137.02284	0.2
139.11208	0.3
147.86871	0.1
151.03909	0.2
161.02350	0.2
169.01349	0.3
171.10072	0.1
174.03236	0.1
175.03920	0.5
191.05505	0.2
201.11273	0.7
207.10220	0.2
209.11739	0.8
225.00650	0.1
225.11406	0.2
227.12909	0.1
289.07224	0.2
300.99872	0.3
303.14377	0.1
304.31256	0.1
360.06458	0.4
363.16574	0.2
429.13211	0.1
496.35736	0.1
522.11902	0.3
688.80524	0.1
697.23029	0.1
771.34644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
59.01226	1.9
61.98690	2.2
71.01241	1.5
71.48692	0.4
75.00729	0.4
76.77700	0.4
78.95319	1.0
78.95771	18.8
80.96399	1.2
87.00737	0.6
91.00055	0.4
96.96833	0.8
108.43166	0.5
113.09607	3.0
122.00026	1.2
140.01091	6.4
152.99481	3.3
171.10132	1.0
178.20251	0.6
179.14313	1.2
181.12199	1.0
195.13826	19.8
196.03751	2.8
196.14209	1.3
197.11880	0.7
207.10284	0.5
209.11748	0.8
225.11128	0.7
251.23657	0.5
277.21689	17.0
278.22052	1.8
291.19778	0.9
293.21252	2.2
295.22760	100.0
296.23114	11.3
456.72195	0.5
474.26315	2.2
492.27393	4.1
739.41876	0.5
770.49835	36.7
771.50360	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	769.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03316	2.5
58.00464	0.7
59.01247	9.8
61.98697	3.0
69.03323	4.6
69.36903	2.4
69.37323	1.5
71.01247	10.9
71.04892	1.3
72.99175	0.9
73.02814	2.4
75.00767	0.9
80.02564	0.4
81.03332	0.9
81.54641	0.5
83.01262	1.4
83.04884	2.4
85.02827	9.7
87.00756	2.0
89.02320	5.3
91.03934	0.5
93.03377	0.7
95.01266	0.6
95.04893	1.1
96.95867	0.8
97.02832	1.8
97.06464	3.2
99.00769	0.8
101.02328	7.1
101.02950	0.9
109.06461	1.8
111.04408	0.5
111.08037	0.8
113.02335	4.1
115.33562	0.4
119.03390	1.7
123.00734	0.6
123.08059	0.6
124.62954	0.5
125.02308	1.0
125.09621	2.0
127.11164	1.5
133.04858	0.5
135.11617	0.4
136.65097	0.5
137.09653	2.3
143.03400	0.6
145.04985	1.2
149.09676	1.0
151.11293	0.5
153.09149	0.5
155.10654	0.9
159.11867	0.4
161.04463	3.4
161.13300	0.5
163.11205	1.2
165.12697	1.2
167.10699	3.4
167.14359	0.5
169.12169	0.5
171.10181	25.7
172.10478	1.3
177.12782	1.8
179.05498	1.2
179.10695	1.4
179.14331	3.3
181.12305	0.8
183.13806	1.8
185.11794	1.2
193.12248	1.1
195.10202	0.4
195.13831	12.5
196.14272	0.5
197.11789	2.5
201.11316	2.6
203.10640	0.5
205.12277	10.3
207.10184	1.6
209.11761	10.8
210.12065	0.7
211.13330	13.9
212.13722	0.5
221.11844	2.6
223.13350	100.0
224.13657	6.9
225.11288	2.0
227.12898	2.3
229.12096	0.5
229.14404	10.0
235.08200	16.1
235.13315	0.8
236.08456	0.7
239.12889	1.5
247.13249	0.7
253.09282	24.6
254.09683	1.0
265.14526	0.4
289.17941	2.2
291.19681	6.3
293.21194	0.5
300.99915	0.7
305.17627	1.0
307.19162	1.1
309.20728	12.6
310.21051	0.8
327.21759	80.6
328.22116	7.9
381.96399	0.5
405.47345	0.5
459.22375	14.3
460.22882	1.4
533.34552	2.3
534.34784	0.5
545.29535	2.8
563.30640	4.9
769.41595	4.9
770.41656	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	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.2
59.01247	5.3
61.98695	2.9
68.65087	0.4
69.03339	0.6
71.01246	5.4
71.04890	0.9
71.50076	0.8
72.99175	0.7
73.02808	0.8
75.00738	1.1
78.95782	1.9
80.02540	1.5
81.03314	1.4
83.04897	4.0
84.02006	0.6
85.02818	1.6
85.59226	0.5
87.00761	1.2
88.98663	1.2
89.02309	2.6
95.04885	0.8
97.06444	1.0
99.00748	1.2
101.02304	3.4
109.06453	1.4
111.08048	3.5
113.02312	1.9
116.92640	0.5
119.03432	0.6
119.04923	0.6
123.04334	0.6
125.02297	0.6
125.05974	0.5
125.09599	0.9
133.02776	0.5
135.02095	0.5
135.08063	0.5
152.99532	0.9
161.04413	1.5
161.09610	0.7
163.11211	4.0
165.12801	2.4
167.10756	0.5
169.12274	0.9
171.10237	3.9
177.12726	1.1
179.10757	0.7
181.12230	1.5
190.11058	0.5
191.10822	0.8
195.13777	2.3
197.11765	4.0
199.13130	0.7
201.11270	0.6
207.10173	1.2
209.11771	100.0
210.12117	6.9
211.13322	0.9
221.11772	1.4
223.13283	0.9
225.11288	1.1
225.14757	0.6
227.12828	12.5
228.13260	0.8
235.08279	3.5
239.12796	1.0
239.97813	0.5
247.20709	1.2
253.09258	9.3
254.09390	0.6
273.18396	0.7
289.18158	0.7
291.19659	35.7
292.20023	2.1
293.21219	1.8
295.22833	1.4
305.21332	0.7
307.19135	0.6
311.22256	0.7
323.22253	21.6
324.22638	2.6
327.21643	0.9
341.23407	1.4
404.76202	0.5
445.20752	1.5
509.28284	0.5
527.28595	2.4
617.65961	0.5
655.31293	0.5
709.42072	0.6
719.39996	0.9
751.39429	0.6
769.40051	5.2
770.40216	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	769.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.4
58.00453	1.0
59.01248	11.7
61.45456	0.7
61.98699	8.8
68.99686	0.8
69.03313	4.7
70.64035	0.7
71.01248	13.5
71.04889	1.9
72.99167	1.6
73.02813	4.6
75.00735	2.1
80.02544	1.0
81.03316	2.2
83.01249	2.0
83.04889	3.4
84.02026	1.0
85.02809	9.2
87.00736	4.2
89.02301	5.1
90.94499	0.8
93.03314	1.4
95.01277	1.0
95.04894	2.8
96.95862	1.0
97.02815	2.1
97.06467	3.2
99.00748	2.3
99.04343	0.8
101.02315	9.6
107.04910	1.5
109.06479	5.2
111.04414	1.1
111.08023	1.6
113.02316	7.1
119.03398	1.5
121.97854	0.7
123.07999	1.1
125.02309	1.5
125.05931	1.0
125.09604	3.5
127.11150	1.0
133.04964	0.9
137.09601	2.4
139.03929	1.2
143.03416	1.0
145.04956	3.0
149.09613	1.8
151.11176	1.3
155.10815	1.0
157.04932	0.7
161.04477	4.1
161.09601	1.7
163.11200	2.9
165.09088	0.9
165.12715	1.6
167.10701	4.2
169.12177	1.1
171.10162	32.2
172.10538	1.6
177.12711	2.4
179.05495	1.0
179.10686	3.1
179.14349	3.5
181.12228	1.8
183.13849	1.8
191.14275	1.0
195.13809	15.1
197.11740	11.5
201.11220	7.9
205.12253	9.4
207.10138	4.4
209.11755	37.4
210.12064	1.9
211.13321	8.0
221.11731	2.3
223.13332	100.0
224.13675	5.7
225.11263	8.9
227.12831	4.9
229.14354	5.9
235.08180	24.0
235.13263	1.7
236.08545	1.0
237.14885	1.0
239.12871	1.3
245.19012	2.0
247.13344	3.3
253.09251	24.2
261.18466	1.3
265.14465	1.5
287.16473	1.8
289.18073	19.9
290.18506	1.4
291.19635	5.3
300.99908	1.3
305.17615	4.9
307.19092	2.2
309.20660	8.1
310.21027	0.9
323.18716	1.1
327.21732	60.8
328.22125	4.5
391.02966	1.4
459.22348	18.1
461.20236	2.4
501.23599	1.1
533.34882	1.7
545.29602	2.3
563.30615	2.7
709.41693	1.1
733.36804	1.0
751.39410	2.5
769.40100	24.5
770.40356	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	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
55.41464	0.5
57.03315	1.8
58.00471	0.7
59.01244	7.0
61.98700	2.4
66.18252	0.5
69.03313	5.0
71.01247	8.1
71.04877	1.9
72.99174	1.5
73.02836	1.8
75.00746	2.5
77.74370	0.6
80.54751	0.5
81.03313	0.5
83.04887	1.2
84.02049	0.6
84.70393	0.5
85.02822	4.4
87.00734	1.5
89.02324	2.8
89.02811	0.5
91.56018	0.6
95.01277	1.1
96.95897	0.9
97.06479	1.7
99.00755	2.1
101.02328	3.8
109.06484	1.0
111.04392	0.6
111.08028	6.5
113.02334	3.7
121.82357	0.6
123.04441	0.8
123.08095	0.9
125.09596	3.2
126.81142	0.5
127.07476	0.7
134.57378	0.5
137.09605	0.8
138.51332	0.5
151.11165	1.9
153.12755	2.2
161.04462	1.3
161.09615	2.9
161.10800	0.6
163.07593	0.8
163.11238	1.1
169.12202	2.5
171.10152	3.3
179.10689	7.0
181.12265	1.2
183.13651	0.7
186.53523	0.6
195.14023	0.8
197.11751	82.8
198.12079	5.0
199.13235	1.8
201.11140	0.6
207.10275	1.3
209.11774	8.9
211.13277	3.3
217.37865	0.6
217.76965	0.5
223.09752	1.4
223.13452	0.7
225.11238	1.9
227.12817	2.5
235.08183	0.7
241.10826	3.2
253.09291	3.0
263.20309	0.9
289.18109	1.4
291.19727	2.6
300.99908	0.8
305.17648	0.7
307.18872	1.0
309.20673	5.3
323.22180	1.0
327.21729	1.1
377.26114	0.6
434.00580	0.5
477.19583	2.1
529.69421	0.6
769.40051	100.0
770.40369	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	769.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59245	0.8
57.03308	1.8
58.00446	0.8
59.01252	8.1
61.98691	2.5
68.99664	1.0
69.03315	3.6
69.32458	5.6
69.32865	1.5
71.01254	9.5
71.04900	1.7
72.99184	1.5
73.02817	1.5
75.00749	2.6
83.04886	3.0
85.02822	5.1
86.81238	0.8
87.00740	2.3
89.02314	3.1
90.95940	0.9
95.01270	2.2
95.04887	1.2
97.02810	2.6
97.03415	0.7
97.06475	1.7
98.19772	0.8
99.00739	2.5
101.02341	3.9
109.02879	0.8
109.06468	1.9
111.08003	3.8
113.02354	4.9
117.31166	0.8
123.04342	0.8
123.08080	1.4
125.09634	3.9
137.09567	1.0
151.11163	2.1
153.12744	1.7
161.04495	1.4
161.09598	4.0
163.11188	1.9
166.53522	0.9
169.12233	3.4
171.10196	7.6
177.12697	1.1
179.10704	5.9
181.12338	1.2
183.13701	1.0
193.12097	0.9
195.13773	1.9
197.11757	62.2
198.12086	3.0
199.13405	1.2
201.11348	1.5
203.10782	0.9
207.10176	1.7
209.11775	22.0
210.12080	1.1
211.13322	3.1
223.09654	1.4
225.11264	2.8
225.13318	0.9
227.12791	4.3
235.08258	1.4
235.13249	1.3
241.10663	1.2
247.13370	2.8
247.20702	1.0
253.09238	4.3
261.18524	1.4
263.20099	1.3
287.16571	1.3
289.18155	6.6
291.19623	5.7
305.17624	4.3
307.19125	2.5
309.20770	5.4
477.19955	1.4
481.01712	0.9
495.08524	1.0
656.98553	0.8
769.40131	100.0
770.40466	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	769.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
61.98698	9.9
62.30707	0.6
63.96099	1.7
69.03340	0.6
69.53609	1.6
69.54018	1.7
71.01253	9.5
73.02822	2.7
78.95792	0.8
78.98459	6.5
79.95600	14.5
80.96384	82.9
81.03297	1.3
83.01254	0.7
83.04855	0.6
85.02818	3.4
87.00742	2.9
94.97957	17.6
96.95895	1.4
97.02832	2.4
97.87366	0.5
99.00747	1.0
101.02318	3.3
106.97958	3.9
111.26073	0.5
113.02333	0.5
122.97437	3.1
125.02335	4.1
127.03912	1.3
134.97478	6.3
136.99043	1.9
137.02386	0.6
148.99051	7.2
149.11362	0.5
152.98517	7.3
161.02444	0.6
163.61682	0.5
164.98531	14.9
175.03912	0.9
179.03545	0.5
184.14052	0.4
191.05588	0.8
206.99619	3.8
207.99928	0.6
209.11771	5.6
210.12143	0.9
225.00700	27.6
226.00943	0.9
347.05469	0.9
445.12698	1.1
509.16852	3.2
541.19720	2.3
715.64307	0.7
737.30884	1.0
769.33136	100.0
770.33527	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	769.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03324	0.6
59.01231	2.5
61.98699	100.0
62.98363	0.7
69.27221	6.5
71.01265	2.5
78.95792	0.9
80.96397	1.1
83.04898	1.2
85.02814	1.3
87.71387	0.7
88.98685	0.9
89.02304	1.0
93.03328	0.7
96.95892	3.7
99.91433	0.8
101.02335	1.6
105.01830	1.1
109.02840	1.6
109.06503	1.7
111.07964	0.8
116.92754	2.3
117.03401	0.8
119.03388	0.9
121.02829	2.1
125.02323	1.4
145.02844	1.4
149.02342	1.3
159.04529	0.9
161.02338	16.2
161.03540	1.3
163.00352	0.8
163.03934	1.5
169.01389	0.8
171.10185	4.7
173.02373	2.4
174.03168	3.5
175.03934	11.1
176.04356	0.8
183.04391	3.7
187.03999	2.6
195.10191	3.6
200.04747	7.9
209.11768	14.3
209.13562	1.3
211.03941	13.7
212.04439	0.9
215.07076	16.2
215.09033	1.1
216.07445	1.5
227.12888	2.2
229.04987	1.9
232.73781	0.8
253.09152	2.4
256.45514	0.8
274.06299	1.6
275.07150	0.8
285.05765	3.0
295.09814	6.2
300.99872	1.3
301.04895	3.7
302.05850	2.0
303.06622	6.8
305.17554	4.0
317.04581	1.2
318.05344	1.0
319.06097	2.4
329.04541	47.7
330.05243	21.5
331.06015	9.2
332.07147	2.1
333.07565	0.8
342.05508	1.5
343.06085	1.6
345.04010	7.5
345.07825	0.9
346.04773	28.5
347.05557	75.0
348.06284	46.4
349.06699	4.1
355.06363	1.1
357.04041	1.0
358.04834	2.6
359.05783	1.5
370.04761	1.7
371.05652	1.0
380.07022	2.5
399.08835	1.2
409.11121	2.3
427.11832	52.1
428.12195	6.6
431.34262	0.9
445.12885	71.0
446.13251	8.7
509.10718	7.3
510.11508	8.3
511.12238	0.8
550.66101	0.8
589.17303	3.3
607.18195	63.4
608.18512	12.6
769.33490	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	769.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40698	0.5
59.01239	2.2
61.98702	67.2
71.01247	2.1
75.11944	0.6
78.95757	1.8
79.95585	0.7
80.96373	1.6
83.29259	0.7
85.02825	1.6
88.98672	1.1
89.02290	0.9
94.97913	1.2
96.95876	5.4
98.20592	1.5
101.02326	1.0
109.02811	1.3
113.02327	0.6
116.92741	1.2
117.03318	1.3
121.02836	1.4
125.02337	1.7
129.92812	0.6
135.04367	1.1
137.02277	2.1
145.02875	1.9
149.02391	1.4
151.03905	1.4
151.63513	0.6
159.04385	1.2
160.62823	0.6
160.99480	0.6
161.02348	19.6
162.02722	1.5
163.03889	2.0
163.05942	0.7
164.39281	0.7
165.01778	0.9
169.01382	0.6
173.02376	3.3
174.03162	5.3
175.03915	11.2
179.03468	0.8
183.04378	3.4
187.03906	2.9
189.01921	0.8
190.02660	1.1
200.04710	10.4
205.05037	1.0
209.11842	3.0
211.03932	15.4
211.13319	1.0
212.04343	0.9
215.07085	19.5
216.07344	1.9
225.00795	1.2
229.04959	1.4
265.08444	0.8
269.08133	0.7
271.09705	1.5
273.05432	1.0
274.06305	1.4
275.07095	1.3
285.05542	2.8
295.09775	8.3
300.99799	1.5
301.05103	3.2
302.05753	2.5
303.06625	8.2
314.05746	0.9
315.06680	0.8
317.04550	1.3
318.05255	1.3
319.06036	2.8
329.04523	55.8
330.05243	26.9
330.57574	0.6
331.05988	10.6
332.06705	2.3
333.07220	0.9
342.05341	1.5
343.06039	1.7
345.04041	5.9
346.04773	33.7
347.05569	97.6
348.06274	60.8
348.10727	1.4
349.06763	5.5
351.06644	0.8
357.03973	1.5
358.04807	3.9
359.05408	1.5
370.04846	2.2
371.05246	1.3
379.06226	0.9
380.06818	3.7
389.06760	1.2
399.08795	1.5
409.10782	2.3
427.11841	71.3
428.12173	10.6
445.12903	100.0
446.13202	15.0
509.10861	8.8
510.11600	10.9
511.11902	1.5
525.87372	0.7
544.04333	0.8
589.17236	4.6
607.18219	60.5
608.18646	12.5
734.90729	0.9
769.32031	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	769.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
59.01245	2.8
61.98689	4.2
63.02258	2.4
65.00173	4.8
71.01250	2.0
71.51730	1.0
82.95259	1.1
83.01254	3.7
85.02799	1.5
87.00755	1.7
89.02300	1.4
93.03346	1.1
96.12164	1.1
96.95906	8.8
98.95451	2.4
101.02325	1.6
107.01262	9.0
109.02811	2.5
115.00254	2.7
115.19216	1.2
119.04848	1.7
120.99510	1.2
121.02831	1.3
123.04360	1.4
125.02337	8.9
135.02913	1.4
135.04356	3.2
137.02296	3.7
145.02814	1.9
147.04330	1.2
149.02394	2.2
150.03079	1.7
151.00269	16.9
151.03896	1.6
152.01001	2.0
159.04425	1.5
161.01106	1.5
161.02364	16.8
161.82132	1.1
163.00246	2.3
165.01794	3.6
167.03342	1.3
169.01317	4.4
173.02446	1.1
173.04385	1.7
174.03162	1.6
175.03850	4.0
177.01810	3.1
178.99831	9.1
179.03323	2.4
187.03804	1.8
189.01752	1.7
190.02287	1.4
191.05515	3.7
191.38109	1.1
192.00529	3.9
193.01303	3.8
201.62985	1.3
202.05354	1.0
203.07005	1.2
215.03423	1.3
217.01161	1.3
221.06120	2.4
225.05327	1.2
227.03423	2.4
230.01675	1.2
231.02876	1.4
237.05464	2.7
243.02847	1.4
248.04764	1.6
249.05496	2.2
255.02812	1.4
259.02563	2.7
264.04303	1.8
265.04977	4.2
271.02509	2.5
275.01572	1.5
276.04257	1.7
277.05008	2.3
284.03357	1.8
289.07071	2.5
293.04559	24.9
294.05084	2.7
299.02078	1.3
300.02621	2.4
300.99750	4.9
301.03040	2.7
302.00107	1.7
312.02560	1.7
321.04068	3.7
399.04654	1.6
427.04285	2.3
429.06076	1.6
433.07425	2.3
456.04675	2.8
457.05389	3.6
472.04407	1.9
473.05151	50.5
474.05872	58.0
475.06552	9.4
605.08862	2.8
606.10114	100.0
607.01343	2.1
607.10651	26.0
608.10797	1.5
619.10913	15.5
620.10583	2.3
637.11731	3.2
751.24585	3.1
769.16003	42.0
769.27136	1.5
770.16681	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	769.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
63.02262	1.0
65.00185	1.2
71.01260	1.1
71.38126	0.8
83.01250	1.2
84.12955	0.5
86.52863	0.5
91.27882	0.5
96.95876	1.5
101.27377	0.6
102.47946	0.6
107.01263	2.1
109.02843	0.8
115.12589	0.5
124.01537	0.6
125.02319	3.6
137.02327	0.7
145.25540	0.5
151.00287	8.3
151.03882	0.7
152.01044	1.2
161.02338	1.6
164.38171	0.6
169.01329	2.5
175.03835	0.7
177.01833	1.0
178.99763	12.5
182.58952	0.6
189.01822	0.7
191.05490	0.6
221.06096	0.7
237.05406	1.0
239.03510	0.8
246.50488	0.5
247.03987	1.2
248.04726	0.6
249.05527	1.9
264.04221	1.6
265.05042	8.9
266.05380	0.8
275.03683	3.4
276.04141	4.1
277.05035	6.9
278.05551	1.4
289.07266	1.1
292.03760	5.4
293.04541	100.0
294.04959	12.4
295.06030	1.9
300.99820	1.4
305.04535	2.6
306.05191	2.6
307.05737	0.7
311.44589	0.7
319.06165	1.3
320.03110	1.5
321.03952	3.9
322.04807	1.1
331.02438	1.0
333.04086	0.6
334.04755	1.8
341.04749	0.9
343.06216	1.4
361.07248	1.5
367.05847	1.3
371.05380	1.4
383.05612	1.7
385.07123	1.7
387.04843	0.7
395.05374	1.3
397.03555	0.8
411.05075	5.3
412.05682	1.5
427.04749	0.7
428.05450	0.7
429.06088	4.8
439.04565	5.9
440.04861	0.9
456.04913	4.7
457.05594	34.5
458.05920	4.6
469.05545	2.3
474.05856	1.7
475.06622	7.8
486.05820	2.5
554.26465	0.7
606.10077	34.1
607.10846	46.7
608.11322	6.8
619.10754	2.3
637.11975	1.2
760.78986	0.6
769.16180	13.9
770.16364	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	769.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
61.98688	1.0
63.02267	1.4
65.00188	2.4
69.03980	0.4
69.35506	3.8
71.01223	0.5
80.96389	0.5
83.01256	1.7
93.03372	0.6
102.05045	0.5
107.01260	4.4
107.16790	0.5
109.02840	0.7
121.02822	1.6
123.00703	0.6
125.02335	1.8
127.13628	0.5
137.02350	0.9
139.75726	0.5
145.02829	1.7
150.99144	0.9
151.00278	12.2
152.00925	0.6
159.04341	0.5
161.02296	1.4
163.00298	1.2
169.01302	1.4
173.02383	2.7
175.03900	1.1
178.99767	3.9
183.04376	0.6
185.02359	0.7
187.03961	0.9
189.01808	1.0
192.00494	0.6
193.01338	1.1
199.04016	0.6
203.03424	1.0
204.35728	0.5
211.03951	0.8
213.01762	0.6
215.03401	0.6
226.02605	0.9
227.03407	2.2
229.04948	1.2
235.12450	0.6
237.05670	0.8
239.03430	1.1
242.02217	1.0
243.02951	2.1
248.04665	0.5
249.05479	0.8
255.02943	4.9
256.03366	0.9
257.04556	1.4
270.01617	0.8
271.02454	8.1
272.02652	0.8
277.05029	1.6
283.02426	1.0
285.03857	2.3
299.01947	21.2
300.02679	11.4
301.03503	39.7
302.03748	2.5
311.07275	0.7
327.06509	0.6
329.04623	0.6
337.05133	0.7
339.06512	1.0
346.04800	1.5
347.05640	0.9
355.06088	1.2
357.07785	0.6
366.05560	0.7
367.06036	1.4
382.04828	0.9
383.05469	3.1
385.07022	1.3
410.04138	0.6
411.05011	7.1
412.05453	0.8
413.06772	0.7
429.06168	13.3
430.06326	1.3
431.06125	1.4
433.07767	17.0
434.08151	1.5
439.04556	4.6
440.05408	3.6
456.04883	1.7
457.05624	100.0
458.06024	13.9
510.11908	0.9
567.37970	0.5
571.32800	0.6
589.09937	3.6
590.09790	0.7
613.28644	0.5
637.12006	5.2
638.12292	1.1
732.41809	0.6
751.28967	0.6
769.31128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03330	0.1
58.46935	0.1
61.98700	100.0
62.98402	0.2
69.39438	0.7
69.39854	0.2
79.33955	0.1
98.20560	0.2
106.01776	0.1
110.03031	0.1
112.90787	0.1
142.35126	0.1
183.82849	0.1
209.11404	0.1
218.06544	0.1
272.06219	0.1
387.54285	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.8
57.46496	1.7
57.61555	1.7
57.98080	1.4
57.98380	1.6
58.84381	1.6
59.01239	4.1
61.98692	7.3
70.64587	1.9
71.01244	1.9
78.95321	2.5
78.95773	41.6
80.96366	8.1
86.53113	1.6
96.96837	4.7
110.98454	2.4
113.09632	2.9
152.99490	22.7
157.09421	1.7
177.12711	2.2
179.14243	2.3
195.13828	31.0
196.14302	2.8
197.11829	3.1
209.11792	2.1
223.13342	4.9
225.00774	1.9
227.53253	1.8
257.63687	1.9
263.77109	1.9
275.20139	3.8
277.21683	22.1
278.22116	3.3
291.19623	1.9
293.21231	68.2
294.21625	7.0
295.22772	96.5
296.23126	7.3
472.24567	2.9
492.26642	2.3
634.88617	2.0
768.48370	100.0
769.49762	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	768.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01236	4.0
61.98695	2.6
62.37480	0.6
67.35550	0.6
69.85411	3.8
71.01252	2.1
75.00748	1.0
78.95776	34.4
80.36753	0.6
81.19221	0.7
83.04904	1.0
85.02822	1.2
87.00715	0.7
95.04964	0.7
104.25655	0.6
109.06407	1.1
113.09618	2.8
122.00018	4.2
140.01085	12.7
152.99452	3.5
167.10663	1.3
176.26273	0.7
177.12712	1.6
179.14342	1.8
181.12239	1.4
195.13838	30.3
196.03752	6.0
196.14232	2.1
205.12254	0.8
205.15973	0.9
209.11775	3.1
223.13365	9.3
224.13800	1.1
227.12866	1.2
239.13181	0.7
256.13049	1.1
275.20151	3.9
276.20425	0.8
277.21735	19.6
278.22186	1.3
293.21219	100.0
294.21500	8.6
295.22769	98.1
296.23108	8.6
309.60522	0.7
321.45383	0.8
472.24805	1.5
474.26215	1.7
490.25677	5.4
492.27219	5.5
737.41113	5.2
743.14886	0.8
768.48187	99.2
769.49054	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	767.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37084	1.2
63.96110	1.7
71.01244	7.1
78.95780	1.5
78.98447	5.3
79.95614	9.5
80.96387	62.8
85.02818	2.5
87.00742	1.7
94.97961	14.7
98.19744	2.3
101.02281	2.5
106.97960	2.3
107.54472	1.2
110.27357	1.6
122.97471	4.3
123.79980	1.3
125.02330	2.6
134.97447	5.4
148.99045	7.0
152.98506	4.7
164.98534	12.4
197.11600	1.8
206.99614	2.5
225.00671	20.2
255.23447	1.6
437.64386	1.4
511.18317	3.1
537.27319	1.8
697.43799	1.5
697.71979	1.5
750.16724	1.6
767.42499	100.0
768.42859	18.8
776.14435	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	767.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.8
58.00476	1.0
59.01249	16.8
61.98700	4.2
67.01734	0.9
69.03332	5.0
71.01257	13.8
71.04882	1.6
72.99178	1.4
73.02819	4.2
75.00751	1.1
78.38354	0.7
78.95784	1.0
80.02531	1.6
80.96378	0.8
81.03316	3.5
83.01258	2.6
83.04897	8.7
85.02819	6.4
85.16139	0.8
87.00749	3.1
88.98683	3.2
89.02314	6.6
93.03338	1.1
95.01248	1.9
95.04892	6.8
97.02823	12.5
97.06466	3.5
98.20543	1.8
99.00745	1.5
99.04403	1.3
101.02328	10.5
106.04140	1.6
107.04922	1.0
109.02797	1.1
109.06425	3.9
110.03604	1.5
111.04371	1.0
111.08051	2.6
113.02338	6.3
113.09122	0.8
119.03429	1.8
121.06501	1.6
123.04417	2.3
123.08047	2.2
125.02332	1.1
125.09619	6.7
137.09598	4.5
139.07478	1.1
141.01865	0.9
142.02576	1.1
145.04979	1.7
149.09610	1.6
151.11188	1.1
153.12621	1.1
161.04451	4.2
161.09489	1.1
163.11209	4.2
165.12732	6.2
167.10719	4.8
167.14313	1.3
169.12315	1.2
171.10210	8.9
175.11241	1.8
177.12759	9.9
178.13173	1.1
179.05481	1.6
179.10715	1.9
179.14363	4.1
181.12262	2.8
183.13809	3.1
185.10138	1.0
185.11684	4.4
191.14314	3.0
193.12241	3.7
193.15872	1.0
195.10095	1.1
195.13820	9.7
197.11815	5.9
203.10706	3.5
205.12283	5.6
207.10211	1.9
209.11778	11.2
211.13321	8.9
221.11783	69.4
222.12047	4.5
223.13342	50.2
224.13684	3.3
225.11198	1.5
227.12816	5.4
229.16188	0.8
235.08180	7.6
237.11224	1.8
237.14944	2.6
239.12849	100.0
240.13203	6.8
245.18990	6.6
247.20645	3.4
253.09251	25.0
253.52670	0.9
257.13712	0.9
273.18695	2.3
281.13678	1.0
289.18103	17.8
290.18240	1.4
291.19650	45.0
292.19724	4.0
293.21118	2.4
307.19144	13.4
309.20700	62.7
310.21021	5.7
325.20615	1.3
457.20685	5.1
458.21277	1.2
459.21951	1.1
475.21899	11.6
749.41156	1.1
767.42041	12.7
768.42017	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	766.466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
61.98708	2.5
62.96291	0.5
71.01241	0.8
71.30051	1.2
75.00706	0.7
78.95771	17.7
80.96400	1.2
83.04873	0.6
87.00735	0.5
96.96829	0.7
102.61581	0.4
111.08022	0.9
113.02258	0.7
113.09600	0.7
122.00007	1.9
130.62158	0.4
133.97533	0.5
140.01074	7.5
152.99490	1.2
167.10704	1.2
177.12782	0.7
179.10619	0.5
179.14299	1.1
181.12271	0.6
195.13841	13.4
196.03751	3.2
196.14294	1.0
205.12245	1.7
205.15950	0.7
209.11725	1.1
211.13417	0.7
223.13342	10.8
224.13745	0.7
228.13664	0.6
245.21419	0.4
256.13126	0.9
265.21692	0.8
275.20187	4.6
276.20398	0.7
293.21210	100.0
294.21588	8.8
300.99741	0.5
422.63837	0.5
472.24475	1.7
490.25650	5.3
697.38635	0.6
749.41119	0.7
766.46643	45.7
767.47046	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	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00446	0.2
59.01242	0.6
60.99174	18.1
61.98693	1.1
69.79570	1.0
71.01254	0.4
72.99160	0.3
73.81060	0.2
78.95782	0.2
87.00755	1.8
88.00272	2.3
88.01087	0.3
88.98674	100.0
89.02309	14.5
89.99017	0.5
94.29903	0.2
101.02311	0.4
171.10190	0.2
223.13313	0.4
270.39371	0.2
277.21649	0.3
277.65640	0.2
301.00146	0.2
377.69052	0.2
397.13300	0.9
415.14572	0.3
502.06995	0.2
765.41193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22531	0.5
59.01221	1.2
63.96087	1.5
69.03320	0.6
70.87673	1.6
71.01251	9.8
72.99146	0.7
73.02811	2.6
78.98459	9.9
79.95602	16.5
80.96386	100.0
81.03323	1.2
87.00765	3.3
92.35717	0.6
92.98069	0.6
94.97959	22.1
96.65871	0.6
96.95911	1.1
97.02830	1.9
99.00775	1.2
101.02308	3.9
106.97977	4.3
107.61893	0.7
122.97452	4.7
125.02328	4.0
125.86126	0.6
127.03890	1.3
134.97464	7.2
136.99013	2.6
146.97479	0.8
148.99030	9.7
152.98543	8.4
164.98535	17.4
165.98804	0.5
166.99995	0.6
206.99651	5.2
209.11746	1.9
212.83167	0.7
225.00685	30.9
231.27078	0.7
233.86176	0.7
255.23230	2.2
283.05002	1.1
409.23260	0.6
453.93259	0.6
509.16992	4.6
520.41650	0.7
537.27124	1.9
759.86603	0.7
765.40948	99.7
766.41254	28.9
766.52399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.4
69.35050	2.8
86.27428	0.4
98.20508	0.6
99.88561	0.3
102.53975	0.3
122.24146	0.4
129.03391	0.4
133.02901	0.5
145.02852	0.9
151.00206	0.6
157.02835	0.7
161.02361	0.4
163.03891	0.3
173.02325	1.4
185.02388	2.5
189.01797	0.5
191.05602	0.5
191.79622	0.4
201.01859	1.9
216.77403	0.4
217.01335	0.5
226.99860	0.6
229.01329	3.5
245.00848	1.5
257.00888	2.0
271.02646	0.9
283.99728	2.2
299.99075	2.8
300.02753	1.5
300.99881	100.0
302.00195	6.5
414.50305	0.3
463.08847	1.5
468.40274	0.3
765.22583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
59.01239	0.9
60.99159	0.7
61.98385	0.4
61.98699	7.4
65.63793	0.5
69.03310	0.5
71.01222	1.1
74.96965	0.4
75.00740	1.0
78.98460	0.6
79.95599	0.9
80.96395	4.9
81.03330	1.8
83.01255	7.5
83.07116	0.4
86.55602	0.3
88.98674	4.6
89.02296	0.8
93.03322	0.5
94.97923	1.2
95.04852	0.6
96.95895	0.5
97.02811	1.1
99.04399	0.8
101.02314	0.6
116.92715	0.8
121.02817	0.5
123.04370	0.8
125.02331	13.4
137.02359	3.1
139.03833	0.5
143.47415	0.3
148.98994	0.5
149.02269	0.4
164.01122	2.1
164.98579	0.8
165.01822	1.3
167.03392	8.2
179.03394	1.8
204.04210	0.5
209.11752	0.8
211.13197	0.4
215.27080	0.4
225.00636	1.1
229.54764	0.4
253.67484	0.3
297.66724	0.4
301.04950	1.0
313.05020	1.6
314.05811	6.5
315.06586	4.9
327.06558	3.4
335.52185	0.4
338.05728	0.4
339.06161	0.7
349.08630	1.0
354.05228	0.8
355.05966	1.0
360.08646	0.5
362.09433	0.5
363.10248	2.2
365.08145	1.7
367.09753	0.6
377.08029	1.0
379.09631	1.9
380.10327	0.8
389.08096	1.0
390.09024	1.8
391.09470	1.2
393.07614	1.7
401.07816	0.7
403.09543	0.5
404.06821	0.5
405.07379	2.6
406.08163	1.2
407.09189	3.4
408.09747	1.3
417.07700	2.7
418.08386	6.2
419.09204	11.4
420.05679	0.6
420.10379	0.7
421.07068	4.1
422.07858	4.3
423.03003	0.8
423.08698	13.6
424.09067	1.9
430.08411	1.1
431.09232	2.9
434.07745	0.7
435.08688	8.6
436.09439	20.6
437.10104	4.6
447.08820	3.2
448.09036	0.7
450.07547	0.8
458.07773	1.1
459.08701	7.5
460.09027	0.9
463.08215	2.0
464.08990	18.1
465.09698	22.0
466.10330	2.6
468.08429	15.3
469.08694	2.2
473.09708	0.7
476.08792	2.1
477.09686	4.7
491.11313	0.4
499.11624	0.4
501.09915	0.9
502.10162	0.4
516.12054	0.7
517.12823	0.6
518.10168	0.5
519.10779	3.6
535.13837	1.2
541.12506	0.7
543.11108	0.7
558.13263	1.0
559.14008	4.4
560.14392	0.6
561.11694	1.4
585.12842	0.9
602.12146	13.1
603.12921	100.0
604.03375	0.9
604.13226	17.0
626.14630	0.4
627.15015	12.3
628.15338	2.6
639.14685	2.6
645.14160	1.3
675.13947	0.4
765.18213	21.7
765.33673	6.9
765.45642	0.7
766.18848	5.5
766.32587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38638	0.1
61.98701	100.0
62.34802	0.1
62.98400	0.1
68.51379	0.1
70.37264	0.2
70.37658	0.2
71.01281	0.1
78.95792	0.1
88.98718	0.1
98.20477	0.1
125.02364	0.1
171.10243	0.1
176.13985	0.1
185.53720	0.1
191.34245	0.1
209.11841	0.1
251.07014	0.1
537.96088	0.1
579.31091	0.1
764.29358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36451	0.8
58.70633	0.7
59.01245	20.0
61.98698	28.4
63.99146	1.9
69.24038	6.2
69.24444	1.6
71.01253	2.5
76.67274	0.9
78.95770	26.3
78.98450	1.8
79.95604	3.1
80.02542	2.1
80.96388	17.2
81.03308	2.0
83.01264	1.8
83.04886	9.3
84.02059	1.3
87.00819	0.8
94.97956	3.5
95.04871	1.6
95.94574	0.7
106.98016	1.0
114.57578	0.7
124.99969	2.1
125.05947	0.9
125.98329	0.8
130.18782	0.8
134.97444	1.3
135.08109	1.2
151.40533	0.8
152.99467	3.4
163.11243	7.2
164.98538	1.8
165.12752	3.6
168.04227	8.1
181.12254	1.0
191.10646	4.0
209.11758	100.0
210.12048	6.4
223.13376	4.4
224.06906	4.8
225.00732	4.6
226.12125	1.8
227.12830	16.9
228.13065	1.5
241.14420	17.4
242.14848	1.2
247.38438	0.8
255.23257	81.5
256.23590	7.8
315.57883	0.9
316.32037	0.9
347.42618	0.9
434.19580	1.0
443.37988	1.0
480.30594	4.2
619.35828	1.3
649.19366	1.1
690.43427	92.1
691.43817	18.3
704.44867	8.1
705.44989	1.3
725.20898	0.9
764.39691	19.2
765.39935	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	763.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85489	0.2
59.01243	0.3
60.99176	16.7
61.98698	1.1
63.07809	0.1
64.32201	0.1
70.92044	0.1
71.01266	0.4
71.52023	0.2
72.99179	0.3
78.95768	0.3
81.03372	0.1
83.04898	0.2
85.02820	0.3
87.00752	0.9
88.00278	1.1
88.98677	100.0
89.02318	4.0
89.99001	1.0
96.95911	0.4
111.00736	0.1
113.02363	0.1
123.04424	0.2
125.02321	0.3
141.30672	0.1
171.10085	0.2
175.03934	0.3
177.01918	0.2
208.41505	0.1
209.11765	3.9
210.12106	0.2
211.13441	0.1
217.01234	0.1
227.12862	0.6
243.50166	0.1
300.99783	0.3
330.05191	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
63.96101	1.7
71.01253	7.4
72.99202	0.5
73.02822	1.7
78.98457	7.0
79.95598	11.9
80.96387	73.7
81.03310	0.6
85.02829	4.0
87.00731	2.3
94.97957	18.7
95.01297	0.5
96.95870	1.3
97.02817	1.7
99.00735	0.6
101.02351	2.7
106.97957	2.6
113.02353	0.7
115.03353	0.4
122.97473	3.8
125.02356	3.5
127.03896	0.8
134.97484	5.3
136.99037	1.7
148.99040	7.0
152.98523	7.6
164.98535	14.6
167.00113	0.6
206.99698	3.5
207.01373	0.8
207.10205	1.0
225.00676	24.0
226.01007	0.7
255.23239	1.8
295.30338	0.5
507.15610	2.9
508.16174	0.5
537.27350	1.4
605.28387	0.5
763.39386	100.0
764.39716	20.2
764.53754	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	763.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01249	20.5
60.15952	0.3
60.63246	0.4
61.18806	0.3
61.98706	2.4
69.51563	0.9
69.51972	1.8
71.01241	2.2
72.99175	0.4
73.02822	1.1
75.00723	0.5
80.02544	1.6
83.04947	0.4
85.02831	2.9
86.03625	0.4
87.00722	0.6
88.98677	1.6
89.02330	0.7
93.03339	0.8
95.04898	35.0
96.05225	1.1
96.95854	1.8
97.02875	0.4
98.20540	0.7
99.00753	0.6
101.02325	1.5
108.54337	0.4
108.79827	0.4
109.02853	1.1
113.02355	1.1
119.08553	2.6
121.02835	2.8
123.00737	0.5
123.04440	1.9
125.02397	1.8
134.03662	0.3
135.04401	1.3
137.02307	1.0
137.09634	0.9
145.02850	0.7
147.04395	0.8
149.02423	0.4
155.10674	2.8
156.19653	0.4
161.02383	0.5
161.04462	2.0
161.05725	0.4
163.07532	2.2
165.01866	2.7
167.03311	0.4
169.01341	1.0
174.03157	0.4
174.35217	0.5
175.03920	2.0
177.01851	0.8
179.03525	0.4
181.08617	100.0
182.08961	4.5
190.02730	0.4
191.05566	0.8
195.06590	0.7
199.09644	1.7
201.11301	0.6
209.11714	3.3
227.12843	0.9
240.04179	0.5
241.08717	0.4
255.10329	1.0
269.08167	9.6
271.02368	0.4
271.09598	0.4
281.08163	1.5
283.09760	3.6
289.07306	0.6
295.09708	0.7
296.10645	0.5
298.12021	0.7
299.09219	7.6
299.99374	0.4
300.02734	0.7
300.99835	0.9
301.03162	0.5
311.09219	10.2
311.12769	0.5
312.09665	1.0
313.10727	0.6
314.11560	13.7
315.05154	4.9
315.11984	1.5
316.05484	0.8
325.10782	1.7
326.11572	9.2
327.11877	0.7
329.13931	36.7
330.14233	4.3
341.13895	19.0
342.14194	1.9
343.13858	1.4
359.14883	0.9
375.27655	0.6
412.26563	0.4
451.20343	0.4
632.65594	0.5
644.64020	0.4
683.15662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80839	0.1
56.34686	0.1
61.98701	100.0
62.98407	0.2
70.01124	0.1
71.01241	0.1
78.95811	0.2
79.95625	0.1
80.96384	0.5
94.98000	0.1
137.14781	0.1
214.13443	0.1
225.00687	0.3
254.77397	0.1
399.28894	0.1
662.13690	0.1
762.88690	0.1
763.39050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47266	0.4
59.01258	0.7
61.90356	0.5
63.96102	1.7
69.03326	1.0
71.00855	0.6
71.01249	11.1
72.99191	0.5
73.02808	2.3
78.98465	8.1
79.95123	0.7
79.95600	17.0
80.96387	93.9
81.03311	0.6
85.02826	4.2
87.00747	3.5
94.97958	20.5
96.95882	2.0
97.02824	1.5
99.00769	0.7
101.02309	2.7
101.15352	0.5
103.16814	0.5
106.97970	3.9
109.02782	0.5
122.97465	4.2
125.02346	3.3
127.03880	0.8
134.97473	6.2
136.99039	1.7
148.99033	6.7
152.98523	5.5
164.98540	11.0
206.99629	2.3
223.13321	0.5
225.00677	17.1
226.00848	0.5
255.23305	1.6
407.12253	0.6
505.17599	2.7
506.17767	0.7
537.27393	1.1
761.41443	100.0
762.41754	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	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45864	0.4
56.59271	0.5
57.03310	0.7
59.01245	1.3
63.96108	1.7
69.03322	0.6
71.01252	9.4
71.11847	1.2
73.02818	2.9
76.35007	0.5
78.98460	7.1
79.95607	16.0
80.96387	92.3
81.03321	0.9
81.96307	0.4
83.01257	0.6
85.02824	3.9
87.00748	3.6
94.97957	23.1
96.95888	1.7
97.02831	2.0
99.00780	0.8
101.02331	3.9
106.97955	5.0
122.97460	4.5
125.02294	3.9
127.03907	1.3
134.97469	6.6
136.99039	1.9
148.99046	7.7
152.98541	10.1
162.86464	0.4
164.98541	18.1
167.00124	0.8
179.14499	0.5
184.50383	0.6
202.64838	0.4
206.99669	3.8
210.10185	0.5
223.13298	1.3
225.00693	28.5
226.00955	0.6
239.60863	0.5
255.23285	1.6
279.07220	0.4
283.04919	0.8
505.17200	3.2
537.27484	1.7
761.41461	100.0
762.41754	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	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
60.00460	0.4
61.98701	0.8
63.96109	2.2
66.59965	0.4
69.03313	0.7
71.01252	8.4
72.99123	0.5
73.02814	1.7
78.98468	6.2
79.95606	13.7
80.13626	0.5
80.96389	78.6
81.03339	0.9
85.02825	2.7
87.00758	3.1
94.97957	16.5
96.95883	1.7
97.02835	1.8
98.20689	0.8
99.00713	0.5
101.02325	2.8
106.97971	2.9
112.07961	0.4
122.97462	3.3
125.02338	2.6
127.03918	0.8
134.97478	5.1
136.99048	2.0
148.99051	7.2
152.98526	6.2
164.98544	13.5
167.00114	0.5
175.25798	0.4
206.99660	2.9
223.13441	0.8
225.00693	18.9
226.00949	0.9
255.23373	1.6
505.17590	2.6
537.27295	1.7
761.41467	100.0
762.41809	27.9
767.44592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04754	0.8
56.59768	1.0
57.03301	1.1
59.01248	7.7
59.46171	0.9
61.46587	0.8
61.98699	15.0
69.03316	1.2
71.01250	4.5
71.04900	0.9
71.51034	0.8
71.51418	1.1
72.99152	1.3
73.02817	1.3
78.95773	2.4
80.02549	0.9
80.96369	1.6
81.03334	1.6
83.01256	1.4
83.04903	3.9
85.02840	1.7
87.00774	1.0
88.98669	3.1
89.02319	2.6
93.03350	1.0
96.95885	1.2
99.92349	0.8
101.02329	4.1
109.02886	0.9
109.06498	1.0
113.02317	2.1
116.92750	1.5
117.70193	0.8
125.02336	3.1
126.90307	3.1
128.03391	1.1
135.08034	1.0
137.02333	1.2
149.09561	1.1
161.04434	1.8
163.11186	3.1
165.01808	7.2
165.12703	1.7
167.10641	1.7
169.01338	2.2
171.10187	4.4
175.03873	3.3
179.03374	2.1
179.14363	2.7
180.04182	2.1
187.03937	0.9
195.06546	3.4
195.13835	8.6
205.12326	5.6
209.11769	100.0
210.12077	5.5
223.13330	76.0
223.15623	0.9
224.13617	4.8
225.07576	2.1
227.12860	17.7
228.13205	1.1
235.08179	3.0
253.09247	9.6
275.01984	1.7
276.02295	1.1
300.99786	2.0
390.52905	1.6
391.53876	1.2
441.20621	2.0
445.20538	4.6
459.22433	11.8
629.79712	1.2
633.32574	1.9
651.33777	3.1
669.34521	1.6
713.28986	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	761.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	12.3
71.31062	1.1
71.31390	1.2
75.04723	0.9
83.01257	4.3
93.03381	1.2
103.18875	0.8
109.02830	8.1
121.02817	1.7
123.04390	5.6
125.02335	100.0
126.02672	3.9
131.04866	1.1
133.02823	5.3
135.04413	3.1
137.02338	22.3
138.02612	1.1
145.02856	5.3
147.04460	1.2
149.02333	3.8
149.05923	1.1
150.03059	1.6
151.03914	6.5
159.04404	6.6
161.02354	27.6
161.05966	4.3
163.00287	2.2
163.03900	4.0
164.01100	2.7
165.01849	4.2
169.01274	1.4
174.03076	1.3
175.03934	10.2
176.68747	0.9
177.01857	13.9
179.03461	2.7
183.04498	1.2
185.02373	1.0
185.06018	2.2
187.03951	7.2
188.04550	1.0
189.01785	1.6
190.02655	1.0
191.05455	1.1
199.03925	3.2
201.05490	2.3
202.06079	1.2
203.03404	2.0
203.07077	3.9
205.01361	1.2
205.04996	3.2
211.03984	2.5
215.03548	1.3
217.05040	4.2
219.02974	3.3
225.05516	1.2
227.03401	2.2
227.07147	2.0
229.05017	4.1
241.05104	1.6
243.02959	10.8
243.05212	1.3
243.06425	1.2
244.03423	1.0
245.04533	3.8
245.08147	6.8
253.05026	3.6
255.02989	7.9
256.03568	2.0
257.04480	1.7
267.03000	2.3
269.04538	1.9
271.06137	10.0
273.04007	4.7
279.06717	1.3
281.04523	1.9
285.04080	2.2
287.05728	6.4
289.07150	19.2
290.07520	1.6
293.04602	1.2
299.02371	1.7
299.05338	5.3
300.02719	2.6
301.03455	1.3
321.07498	2.0
339.08737	1.5
362.53931	1.3
363.08966	1.2
389.06668	7.6
407.07629	21.2
408.07861	3.8
425.08771	4.0
429.19061	2.4
433.09235	5.2
441.15778	1.0
447.09201	2.6
451.10425	3.2
473.18292	7.9
559.12476	4.0
577.13361	3.8
591.18713	11.1
592.18933	2.0
609.19684	17.5
610.19659	4.7
635.21387	5.7
732.88892	1.2
761.24536	6.7
762.23999	2.8
772.40088	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	761.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.8
60.99178	7.9
61.98702	14.3
71.01251	3.8
71.51089	1.9
72.99176	17.6
78.95792	2.5
80.96407	1.9
83.04907	1.4
88.98677	60.3
89.02296	7.6
89.99033	3.7
90.99104	3.2
91.00259	1.6
96.95897	1.7
101.02346	1.5
113.02339	2.1
116.92843	1.2
119.58502	1.4
125.02341	2.6
129.43896	1.1
133.02826	1.4
135.04417	1.3
137.02399	1.8
139.00305	1.2
145.91693	1.3
150.24815	1.3
158.03647	1.7
159.47708	1.3
160.01604	1.7
161.02350	24.6
163.03955	1.5
165.01791	1.8
169.01305	1.7
173.02339	4.0
174.03127	5.2
175.03917	11.8
183.04404	1.3
187.03873	2.7
188.04234	1.2
209.11755	15.7
211.03931	4.4
223.13379	5.5
224.04698	6.1
226.06229	1.3
227.12814	2.9
237.05614	2.4
239.07153	14.4
253.09215	1.9
266.05637	1.6
267.06589	3.4
275.01944	1.6
300.99838	3.7
311.07184	1.4
314.05597	1.5
315.01416	7.4
315.06705	2.6
327.06580	2.7
329.04425	2.0
330.05246	6.8
331.06027	5.6
332.06989	3.9
338.05707	2.0
339.06555	3.6
343.06073	2.0
345.03928	4.2
347.05582	2.0
353.04535	3.5
354.05133	1.8
355.06198	6.1
356.06863	5.1
366.05264	1.8
367.05997	5.7
368.06702	2.4
370.04724	3.1
371.05527	5.6
379.09869	3.0
381.07669	3.1
383.05603	9.5
384.05975	7.2
385.06995	2.0
396.10086	3.5
403.05942	2.2
405.07651	1.8
406.08246	1.5
409.07285	1.6
417.11340	1.8
419.09241	2.3
422.07861	3.5
423.08685	4.4
424.09332	2.1
425.10379	3.2
434.11514	4.2
436.09436	5.9
436.34662	1.3
523.08087	2.4
535.12115	1.4
537.10095	1.7
540.08521	4.6
541.09216	2.4
551.09839	3.9
552.11560	2.9
553.12646	3.1
562.10297	2.7
563.10999	5.2
564.11292	1.7
565.08374	2.1
569.12256	4.1
570.12982	4.2
579.10693	6.9
580.11530	36.2
581.12195	16.9
582.12689	2.7
585.10382	1.6
593.12457	5.1
594.13220	2.2
596.11548	2.2
597.11938	5.4
598.12646	100.0
599.13007	31.8
600.13416	3.3
611.13641	17.9
612.13641	3.4
743.18005	4.5
761.17444	12.8
762.20532	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	759.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
57.08784	0.6
58.36060	0.5
59.01256	1.6
61.98704	10.5
62.73271	0.5
62.96280	0.5
69.31548	5.7
69.35929	0.6
71.01254	1.4
78.95775	100.0
85.02809	1.0
96.96848	7.0
97.06500	0.8
99.08037	1.7
112.03114	0.8
113.09641	0.7
125.09608	1.0
127.11171	1.4
128.54530	0.6
134.98425	1.2
139.11211	3.3
147.87300	0.6
150.97942	1.1
152.99489	44.9
153.99872	0.8
169.01219	0.7
171.10172	24.0
172.10495	1.8
183.13763	1.2
195.13840	7.2
197.01825	0.6
201.11287	0.8
209.11783	2.0
211.13353	6.1
223.13330	2.1
225.11505	1.0
229.14406	4.3
239.12808	0.7
253.09280	0.9
275.20227	1.2
277.21704	2.7
291.19623	1.8
293.21234	11.2
294.21707	0.9
295.22723	12.3
296.23138	2.6
297.23532	0.9
309.20828	0.9
327.21835	5.4
329.23309	10.3
339.72885	0.7
410.67383	0.9
429.20395	6.9
431.22040	5.0
447.21625	1.5
463.20996	6.6
465.22531	11.1
466.22946	0.7
481.21960	1.3
483.23563	2.1
759.44513	67.2
760.44934	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	759.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03314	2.8
59.01253	5.7
61.98700	12.4
69.03316	1.5
71.01258	5.8
71.50826	1.1
73.02806	2.3
78.95760	1.5
80.65116	0.7
83.01250	0.9
83.04880	1.2
85.02822	5.3
87.00744	2.2
88.98676	1.7
89.02337	3.5
93.03320	0.8
95.04881	1.3
96.95885	2.3
97.02825	1.4
97.06454	5.4
99.87734	0.8
101.02318	6.0
108.02039	0.9
109.02804	0.8
113.02312	2.6
116.92727	0.7
119.03389	0.8
125.02309	1.7
125.09579	1.1
133.10155	1.1
135.04396	0.9
137.09573	1.4
149.09659	0.8
151.03754	0.8
151.11191	12.5
152.11594	1.4
152.99440	1.0
155.10640	0.8
161.02321	1.1
161.04445	2.0
169.01320	1.5
169.12250	75.2
170.12581	2.7
171.10162	13.3
175.03880	1.4
177.12761	0.7
183.13751	1.6
195.13869	0.8
197.11635	0.9
199.09714	1.3
209.11696	1.6
211.13339	6.7
213.11208	8.0
221.11772	0.8
229.14377	4.3
235.08208	1.4
253.09299	3.9
255.23225	1.3
271.02441	1.4
275.01907	0.9
291.19656	1.3
300.02753	1.9
300.99817	2.1
327.21741	16.8
328.22214	1.4
347.05209	0.9
398.10983	0.9
449.20193	3.7
697.24371	1.5
724.91571	0.7
759.41650	100.0
760.41962	20.4
771.96808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
60.99176	15.5
61.98700	2.9
71.01253	0.7
74.98945	0.3
75.00727	0.2
78.95777	0.3
79.95648	0.2
80.96407	0.3
85.02818	0.4
87.00752	0.9
88.00265	1.1
88.98677	100.0
89.02314	7.8
89.99009	1.0
90.61573	0.2
96.95899	0.6
101.02318	0.3
113.76517	0.2
115.41700	0.2
116.92716	0.3
125.02357	0.5
131.95834	0.2
161.02371	0.5
169.01358	0.4
169.12256	0.5
171.10213	0.7
175.03882	0.7
177.21741	0.2
187.03926	0.3
197.11803	0.5
199.79796	0.3
209.11769	1.9
210.12036	0.5
211.13345	0.5
214.02585	0.7
223.13377	1.3
227.03490	0.3
227.12909	0.3
253.09314	0.6
300.99924	0.5
327.21823	0.3
382.08469	0.7
390.02240	0.3
390.52289	0.3
579.11224	0.5
596.11224	3.3
597.11542	1.8
598.12653	0.3
759.41833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
60.99176	15.5
61.98700	2.9
71.01253	0.7
74.98945	0.3
75.00727	0.2
78.95777	0.3
79.95648	0.2
80.96407	0.3
85.02818	0.4
87.00752	0.9
88.00265	1.1
88.98677	100.0
89.02314	7.8
89.99009	1.0
90.61573	0.2
96.95899	0.6
101.02318	0.3
113.76517	0.2
115.41700	0.2
116.92716	0.3
125.02357	0.5
131.95834	0.2
161.02371	0.5
169.01358	0.4
169.12256	0.5
171.10213	0.7
175.03882	0.7
177.21741	0.2
187.03926	0.3
197.11803	0.5
199.79796	0.3
209.11769	1.9
210.12036	0.5
211.13345	0.5
214.02585	0.7
223.13377	1.3
227.03490	0.3
227.12909	0.3
253.09314	0.6
300.99924	0.5
327.21823	0.3
382.08469	0.7
390.02240	0.3
390.52289	0.3
579.11224	0.5
596.11224	3.3
597.11542	1.8
598.12653	0.3
759.41833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00702	0.3
57.03319	0.8
58.00480	0.5
59.01247	5.8
59.22192	0.4
61.98707	2.7
71.01250	4.6
72.99212	0.5
73.02796	1.2
78.26572	0.4
80.02547	1.0
81.03323	1.2
83.01259	0.6
83.04887	5.0
84.02032	1.0
85.02828	0.9
87.00749	0.8
88.59009	0.5
89.02293	2.8
95.01271	0.7
95.04919	0.9
97.02816	0.5
97.06484	0.5
98.19747	0.7
99.00740	1.0
99.08052	1.1
101.02321	3.6
108.29079	0.3
109.06469	0.6
111.08022	0.8
113.02304	2.6
113.09628	2.0
119.03441	0.8
125.02339	0.4
125.05943	0.4
125.09581	0.9
127.11158	0.5
129.09117	3.1
135.08049	0.4
139.11151	0.4
143.03389	0.5
151.11156	0.7
153.12740	0.7
161.04480	1.6
163.11160	4.0
164.11485	0.9
165.12825	2.2
167.14349	0.5
169.12215	2.0
171.10187	3.6
172.10593	0.5
176.24767	0.4
178.13301	0.4
179.05591	0.8
181.12267	3.7
183.13849	1.4
191.10713	1.1
193.12242	1.3
195.13881	0.7
197.11736	7.8
198.12134	0.7
199.13310	4.0
200.13570	0.5
201.11238	1.7
202.11665	0.5
207.10185	0.9
209.11761	100.0
210.12106	7.0
211.13332	13.6
212.13693	0.9
225.11360	2.2
226.11488	0.6
227.12849	12.5
228.13164	1.1
235.08131	3.2
253.09264	17.1
254.09570	0.8
265.21744	0.6
275.20074	1.3
291.19614	0.7
292.19992	0.6
293.21204	14.2
294.21567	1.9
295.22726	3.4
309.20663	1.1
310.21179	0.7
311.22250	76.6
312.22610	5.9
327.21524	0.8
445.20789	1.2
461.20596	0.5
503.33798	1.0
521.34705	0.6
529.30334	0.5
547.30914	1.9
697.42273	0.4
757.42932	2.9
775.42743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52098	1.4
55.05533	1.5
57.03313	1.8
59.01242	12.7
61.98701	12.7
69.03326	1.5
71.01250	100.0
71.05712	4.0
73.02808	2.4
75.11629	1.6
78.95773	94.2
83.04875	2.1
85.02812	1.6
89.02303	3.9
96.96832	7.8
99.00779	2.2
101.02320	3.7
109.06467	4.7
113.02290	1.9
114.93294	1.6
121.73069	1.5
123.08071	1.9
125.09585	2.6
127.11203	2.0
129.09132	2.3
129.53743	1.6
137.09595	1.6
152.99487	52.8
153.09090	1.6
155.10631	1.4
158.17674	1.5
161.04526	1.4
163.11156	5.1
169.12247	1.9
171.10172	67.2
172.10474	2.8
181.12257	3.2
195.13867	2.0
197.11734	12.5
199.09723	11.9
199.13243	3.8
201.11232	11.8
207.10181	14.1
209.11668	2.7
211.13286	6.3
225.11221	9.9
235.08232	4.9
237.60410	1.8
253.09230	10.2
271.79099	1.7
277.21710	95.4
278.22006	10.3
291.19662	3.6
293.21362	7.6
295.22729	3.4
309.20724	5.9
311.22351	13.9
424.10376	1.9
429.20499	1.9
445.20023	14.2
447.21399	20.7
448.21811	3.4
461.19910	3.0
463.21021	2.9
465.22360	4.4
721.41418	3.4
739.42908	2.4
757.43127	58.3
758.43677	13.7
787.37335	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	757.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.2
61.98717	3.5
64.49007	0.6
65.11534	0.6
71.01263	1.1
71.51844	1.1
72.99183	0.7
73.02807	0.8
73.03507	0.6
79.89465	0.8
80.96402	0.8
85.02813	0.7
87.31866	0.7
88.98711	1.0
125.02314	1.6
131.34337	0.7
135.04413	0.9
137.02319	0.7
155.39180	0.6
161.02380	1.1
169.01317	1.0
175.03947	1.0
183.04417	1.9
189.39766	0.6
191.05490	1.1
196.05362	0.7
197.06087	1.2
205.04936	0.8
211.04097	0.8
222.03134	9.5
223.03697	1.0
224.04694	1.2
225.05533	4.3
235.03979	2.9
237.05490	0.8
239.03429	1.7
240.04207	3.7
250.02666	10.6
251.03473	3.6
252.04218	2.2
252.07013	0.6
253.05092	5.3
263.03448	2.7
267.02994	1.5
268.03799	1.5
278.02203	15.3
279.02902	9.9
280.03625	2.3
281.04507	3.5
295.02490	2.4
296.03198	2.5
297.03836	0.7
300.99899	1.2
306.01663	1.6
307.02454	17.3
308.03067	3.2
311.02234	0.7
323.01901	2.3
324.02722	91.4
325.03482	100.0
326.03830	9.2
335.01895	0.8
367.04453	1.2
389.25592	1.2
430.84180	0.6
460.25168	0.6
487.08664	3.7
529.09912	4.3
578.24066	0.7
739.22687	6.2
740.23285	0.9
757.23370	63.6
758.23737	11.6
758.36450	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	756.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.1
59.01240	0.5
61.98702	100.0
62.98417	0.2
71.01247	0.5
71.50829	0.2
72.99165	0.1
78.95771	0.2
80.02621	0.1
83.04895	0.4
85.02847	0.2
88.98714	0.2
89.02332	0.3
96.95891	2.8
96.96883	0.2
98.95485	0.1
101.02345	0.3
108.02052	0.1
111.08064	0.2
113.02332	0.3
122.57824	0.1
125.02333	0.2
135.02931	0.1
135.04463	0.1
151.11139	0.1
163.11282	0.3
164.11618	0.1
165.12785	0.1
169.01421	0.2
169.12279	0.3
171.10204	0.2
175.04018	0.2
197.11734	0.9
198.12195	0.3
199.13544	0.2
209.11775	6.4
210.12119	2.2
211.13374	0.4
223.13383	0.1
227.12851	1.0
228.13155	0.2
235.08234	0.3
253.09254	0.9
254.09637	0.2
291.19626	0.7
292.20038	0.4
296.23383	0.1
309.20679	1.6
310.21069	1.1
366.98257	0.1
618.54907	0.1
757.41058	0.4
766.97650	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67822	0.6
57.03316	1.9
58.00461	1.3
59.01248	11.4
61.98691	2.3
65.63360	0.4
69.03319	1.1
71.01250	24.7
72.99174	0.9
73.02821	3.4
73.16245	0.4
75.00750	0.6
78.95793	0.7
80.02551	1.1
81.03318	1.5
83.01252	1.5
83.04894	3.6
84.02040	0.9
85.02828	4.5
87.00755	3.6
89.02320	5.3
91.03872	0.8
93.03315	0.9
95.01254	1.4
95.04877	1.8
97.02818	2.5
97.06435	1.2
99.00764	2.0
101.02321	7.0
109.02802	0.6
109.06487	5.4
111.00755	1.0
111.08044	4.0
113.02322	4.4
113.09626	0.6
119.03372	1.1
123.08076	0.7
125.02301	1.0
125.09605	2.7
127.11176	2.8
135.08069	0.9
137.09639	0.8
139.07523	1.2
143.03397	0.8
145.04926	1.3
149.09622	0.8
153.09077	0.5
153.12675	0.5
155.10652	1.9
161.04439	3.5
163.11191	6.0
163.22272	0.6
165.09204	0.7
165.12772	1.2
167.10638	1.3
169.12234	0.9
171.10175	50.2
172.10538	2.3
177.12715	1.0
179.05571	1.4
179.10648	1.1
179.14386	0.9
181.12244	3.2
185.11732	2.2
189.09091	1.3
195.13855	12.2
196.14281	1.1
197.11716	3.0
199.09668	1.0
199.13335	1.1
201.11258	23.8
202.11658	1.1
205.12311	0.9
205.15895	0.7
207.10193	19.3
208.10577	1.0
209.11763	36.5
210.12132	2.4
211.13274	1.0
215.12807	1.5
223.13354	6.9
225.11261	32.2
226.11658	1.9
227.12787	4.7
228.13475	0.8
231.21143	0.8
235.08141	4.3
237.16975	0.5
243.12393	2.9
247.20920	0.6
253.09253	22.6
254.09627	1.2
256.13150	0.8
265.21692	0.7
275.20135	9.9
276.20511	0.8
277.21829	0.6
291.19635	20.9
292.19998	2.6
293.21210	100.0
294.21545	9.8
295.10379	1.7
295.22723	1.7
309.20743	4.9
311.22406	0.7
394.09131	0.5
407.19357	0.7
443.19128	2.5
461.20313	5.1
477.32370	0.6
479.21698	0.8
519.56372	0.5
571.31122	0.9
582.70703	0.7
737.40826	3.8
738.41266	0.6
755.42206	7.3
756.42310	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03320	0.4
59.01247	3.8
61.85620	0.2
61.98689	0.2
69.03325	0.7
69.95013	0.8
71.01257	3.0
71.04912	0.3
73.02816	0.6
75.00699	0.2
79.33309	0.2
80.02561	1.3
80.67372	0.2
81.03318	1.3
83.01263	0.5
83.04888	5.1
84.02033	0.9
85.02843	0.9
87.00747	0.8
89.02311	2.4
93.03340	0.2
95.01260	0.4
95.04901	0.9
97.02847	1.2
97.06462	0.3
99.00779	0.4
101.02327	3.5
109.06482	0.6
111.08035	5.0
113.02327	1.8
119.03401	0.6
125.02390	0.4
125.05962	0.6
125.09592	0.6
127.07549	0.5
132.31396	0.2
133.04898	0.2
135.08060	0.9
137.09593	0.4
143.03377	0.3
145.04942	0.3
147.11749	0.3
151.11165	0.3
153.09128	0.3
153.12849	0.3
161.04475	1.4
163.11198	3.6
165.12746	3.2
169.12251	2.0
170.12614	0.2
171.10138	2.2
179.05522	0.4
179.10687	0.3
181.12265	1.1
182.12711	0.3
183.13812	0.5
191.10689	0.9
193.12225	0.4
197.11760	23.8
198.12106	1.6
199.13329	1.8
201.11137	0.3
207.10254	0.3
209.11763	100.0
210.12094	6.4
211.13333	3.6
212.13586	0.3
220.76363	0.2
225.11224	0.7
227.12837	11.5
228.13173	0.8
235.08199	2.6
247.20618	0.5
253.09265	12.2
254.09599	0.7
263.20074	1.1
265.18106	0.3
273.18582	0.5
274.14026	0.2
291.19650	14.3
292.19995	1.8
293.21216	1.2
309.20700	33.0
310.21033	3.3
445.20676	0.7
446.21255	0.2
501.32462	0.2
527.28302	0.3
545.29596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.4
56.66307	0.3
57.03321	0.6
58.00463	0.7
59.01249	5.8
59.12490	0.3
60.32633	0.3
69.03323	0.7
71.01246	4.1
72.99187	0.3
73.02798	0.8
80.02553	1.4
81.03329	1.1
83.01263	0.6
83.04894	5.3
84.02045	0.9
85.02824	0.9
87.00762	0.3
89.02324	2.7
95.04919	0.5
97.02810	0.9
97.06487	0.4
101.02309	3.7
109.06486	0.9
111.08036	6.3
113.02346	2.0
119.03363	0.9
122.57420	0.4
135.08060	0.9
143.03416	0.6
153.12781	0.5
161.04460	1.5
163.11194	3.7
165.12741	2.8
169.12236	2.9
171.10194	1.6
179.05547	0.5
181.12219	0.9
191.10750	0.8
197.11758	30.0
198.12059	1.8
199.13322	2.3
209.11768	100.0
210.12111	6.6
211.13353	4.9
225.11214	1.1
227.12828	12.6
228.13135	1.0
235.08189	3.1
240.63249	0.4
247.20714	0.4
253.09270	15.8
254.09566	0.8
263.20123	2.1
273.18640	0.8
291.19662	14.3
292.20010	1.4
293.21252	1.3
309.20709	48.3
310.21039	4.8
377.24063	0.4
433.20926	0.4
445.20767	0.6
501.31741	0.4
545.29462	0.9
764.48181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03319	1.1
59.01245	4.4
61.98698	2.2
67.01758	0.8
69.03356	0.4
71.01249	5.0
71.04898	0.4
73.02805	0.9
78.95788	0.8
79.95625	0.4
80.02556	1.3
80.96365	0.3
81.03322	1.3
83.01237	0.6
83.04895	5.3
84.02037	0.6
84.91204	0.3
85.02835	1.1
85.53477	0.3
87.00750	1.0
88.98711	0.3
89.02313	2.4
93.84791	0.3
95.04917	0.5
96.95880	0.5
97.02840	0.5
97.06474	0.9
101.02317	3.4
109.06547	0.7
111.08036	0.9
113.02313	1.6
119.03396	0.6
121.02813	0.4
121.10110	2.7
125.02310	0.5
125.05971	0.8
125.09598	2.2
131.03473	0.3
135.08072	0.8
137.02322	0.4
139.11182	0.4
143.03403	0.4
145.04968	0.4
147.11732	0.3
161.04475	1.6
163.11200	3.2
165.12733	2.2
167.14354	0.9
169.12265	0.4
171.10176	7.7
172.10487	0.5
179.05627	0.6
181.12279	0.8
185.11740	3.0
191.10715	0.8
195.13799	0.6
197.11740	2.9
199.13249	1.1
207.10074	0.4
209.11769	100.0
210.12135	8.4
211.13344	47.0
212.13686	3.3
223.13336	0.6
223.16989	0.9
225.11267	0.5
227.12845	15.0
228.13280	1.8
233.15364	0.8
235.08226	3.1
249.15019	0.5
251.16541	4.3
252.16756	0.4
253.09258	11.1
254.09645	0.7
271.02414	0.6
273.18518	0.7
289.18079	2.4
290.18451	2.6
291.19644	32.3
292.20050	3.2
293.21146	0.5
300.02728	0.6
307.19202	0.5
308.19458	0.3
309.20697	10.9
310.20959	1.4
329.21115	0.6
330.47449	0.4
371.38892	0.3
374.16693	0.3
400.68353	0.3
407.19031	0.4
445.20810	1.2
447.22220	1.4
463.21768	0.6
475.30609	0.5
483.30167	0.3
485.07220	0.4
501.32382	0.4
509.27765	0.5
527.28650	2.3
528.28589	0.6
639.34387	0.4
647.23682	0.4
719.39868	0.4
737.40588	0.6
755.28906	0.4
755.41833	1.1
755.99084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81047	0.1
59.01252	0.2
61.98701	100.0
62.41307	0.1
62.98409	0.2
70.52924	0.4
71.01270	0.2
72.06197	0.1
75.00775	0.1
79.95613	0.1
80.96394	0.7
85.02814	0.1
86.26743	0.1
88.98736	0.2
90.67764	0.1
94.97977	0.1
95.53388	0.1
96.95877	0.2
101.02309	0.2
120.70096	0.1
125.02333	0.2
145.02747	0.1
164.98662	0.1
175.03918	0.2
203.10487	0.1
205.12999	0.1
209.11819	0.5
210.60295	0.1
215.12975	0.1
225.00777	0.2
229.31119	0.1
294.21393	0.1
301.00607	0.1
309.20898	0.1
632.23315	0.1
754.33832	0.6
755.34387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	6.6
57.03326	7.7
58.00477	2.6
59.01251	26.1
61.98702	8.6
69.03334	2.1
71.01254	95.8
71.50874	1.7
71.51256	1.3
72.01618	1.3
72.99181	5.1
73.02819	25.8
73.79749	0.9
75.00760	3.2
75.50493	1.0
78.95776	21.7
80.96374	1.2
81.03348	3.0
81.32439	1.1
83.01268	15.6
83.04898	3.0
85.02827	53.1
85.99989	1.5
87.00773	4.7
87.04398	1.8
89.02348	4.7
96.95889	1.0
96.96828	2.5
97.02853	1.8
99.00751	11.1
99.04405	2.0
101.02331	13.6
103.03905	1.1
109.02864	1.2
109.06498	4.1
111.08074	1.8
113.02359	7.2
119.08260	1.0
123.04462	1.4
125.02354	1.0
125.09669	1.9
131.03386	17.7
131.04254	1.2
135.08095	1.4
137.93239	0.9
145.04991	2.3
152.99489	11.0
161.09567	1.0
163.11226	2.9
169.12291	2.0
171.10263	3.2
181.12363	1.8
184.52733	1.4
185.11865	1.5
195.13872	1.6
196.89442	1.5
197.11710	5.5
207.10162	8.9
209.11797	16.2
211.13396	4.4
221.11926	1.4
222.11992	1.4
223.09668	1.3
225.11168	5.6
227.12759	1.2
235.08185	2.2
239.12938	1.9
240.13499	1.0
253.09352	5.6
275.20187	5.0
277.21921	2.5
289.18246	1.7
291.19791	4.3
293.21210	8.2
294.21649	2.2
307.19339	2.8
307.22989	3.9
309.20743	6.9
309.23932	1.0
443.18433	2.1
445.20108	1.6
461.20010	2.3
542.96667	1.2
607.42181	22.6
608.43201	3.2
651.40948	9.4
652.42010	1.7
690.13043	1.2
752.95038	1.3
753.48608	100.0
754.48865	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	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
55.08489	0.4
57.03308	1.2
58.00463	0.4
59.01253	7.8
61.98706	1.8
69.03306	0.8
70.36726	0.4
70.37088	1.2
71.01251	6.5
72.99167	0.5
73.02808	1.8
80.02554	1.1
81.00457	0.4
81.03333	2.2
83.01256	1.6
83.04910	4.8
84.02025	0.8
85.02824	2.5
87.00745	1.1
89.02292	3.0
93.03338	0.6
95.01266	0.6
95.04919	0.9
97.02828	1.8
97.06458	2.3
99.00749	0.8
101.02324	5.3
109.06473	5.5
110.03664	0.6
111.00760	0.4
111.04402	0.6
111.08031	1.5
113.02343	2.6
119.03404	0.6
119.08488	0.5
121.06464	1.0
123.04371	1.8
123.08054	1.2
125.02365	0.6
125.05993	0.7
125.09619	3.0
131.03391	0.4
135.08032	1.6
136.05203	0.4
137.09615	1.6
141.12799	0.4
142.02661	0.5
143.03479	0.4
145.04993	0.5
149.06017	0.5
149.09628	0.5
151.11191	0.8
161.04489	1.6
161.09547	0.8
163.11206	10.1
165.12730	3.7
169.12280	0.9
171.10168	2.7
177.12878	0.5
179.05588	0.6
179.10738	1.2
181.12311	2.4
183.13928	0.4
183.98907	0.4
185.11737	2.8
191.10706	1.5
191.14293	2.8
195.13812	0.4
197.11746	7.0
199.13292	0.5
207.10204	14.3
208.10535	0.9
209.11768	100.0
210.12091	4.9
211.13409	2.0
217.15956	0.6
223.09676	0.9
225.11263	6.5
226.11813	0.5
227.12839	12.1
227.17937	0.5
235.08237	2.9
237.11336	1.8
245.19072	5.9
251.13014	0.5
253.09256	12.4
254.09779	0.5
263.20111	2.3
271.16983	0.9
289.18106	25.1
290.18350	1.8
291.19678	3.4
293.21295	2.4
307.19125	25.5
308.19330	1.9
309.20688	8.9
327.19522	0.5
345.20547	0.6
375.29138	0.6
401.23380	0.7
419.24033	0.6
443.19577	0.9
445.20758	0.9
461.20151	1.4
507.32886	0.5
517.31610	0.6
525.27393	0.5
543.27777	0.9
551.67633	0.4
597.42334	0.4
607.42493	0.6
637.32471	1.1
675.50476	0.4
717.38409	0.4
735.39746	1.6
753.39362	8.4
754.40967	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01249	7.1
60.48987	0.4
61.98700	4.0
69.03329	0.5
69.39591	0.9
69.39993	3.6
71.01247	6.3
71.04906	2.1
73.02809	1.5
74.01941	0.4
74.42825	0.4
78.95773	0.5
80.02540	1.6
81.03313	2.0
83.01247	1.0
83.04893	5.3
84.02042	0.7
85.02821	2.0
87.00737	1.2
89.02322	3.0
95.01233	0.7
95.04903	2.1
95.41222	0.4
97.02816	0.8
97.06440	0.7
101.02316	5.1
106.04120	0.8
109.06474	8.6
110.06760	0.6
111.04411	2.6
111.08035	1.6
112.05164	0.5
113.02312	3.2
115.23044	0.5
119.03393	0.7
120.05681	0.6
121.06473	0.7
123.08047	1.3
125.02374	0.9
125.06002	1.1
125.09601	0.9
126.82172	0.4
127.07542	1.1
131.03389	3.1
135.08025	0.7
136.97252	0.5
137.09624	1.3
143.10634	0.9
145.04974	0.7
145.06462	2.0
147.11676	0.5
149.09618	0.9
151.11127	0.9
161.04471	0.9
161.09595	0.5
163.11188	4.3
165.12752	1.9
167.10670	1.7
171.10164	6.9
177.12671	1.0
179.10675	1.0
181.12242	1.3
185.11755	0.5
191.10704	1.1
191.14403	0.8
194.75391	0.4
195.13821	2.9
197.11690	1.2
202.27925	0.4
207.10181	1.9
209.11765	95.9
210.12083	5.6
223.13301	1.3
225.11304	2.7
227.12828	13.4
228.13193	0.7
235.08252	3.4
235.13362	0.7
237.14908	1.6
243.17491	0.8
245.19052	4.3
251.16579	0.7
253.09247	11.6
269.15387	0.8
271.16953	2.2
273.14899	0.7
283.20502	0.7
286.23981	0.6
287.16458	2.4
289.18088	100.0
290.18439	8.1
291.19745	0.8
307.19135	6.2
309.20755	1.5
327.19562	3.8
345.20557	4.4
363.21689	1.0
380.84714	0.6
385.30795	0.4
423.25427	0.6
441.26456	1.0
445.20590	0.9
481.29666	0.6
499.30661	1.9
514.73358	0.5
517.31732	1.3
525.26941	2.5
563.28229	0.6
570.83350	0.5
581.29504	1.4
677.35754	2.1
693.38843	1.2
717.38849	0.9
718.38782	0.6
735.39587	9.7
736.40234	1.6
753.40723	4.7
754.41022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03304	1.5
58.34594	0.5
59.01003	0.5
59.01254	6.9
61.98692	1.7
61.99057	0.4
69.03333	3.2
70.38228	2.1
71.01250	7.2
71.04873	1.6
72.99155	0.7
73.02813	1.4
75.00735	1.5
78.95789	0.8
81.03322	1.2
83.01201	1.0
83.04895	1.7
85.02821	3.0
87.00736	1.5
89.02318	3.5
95.01244	0.9
95.04880	1.0
97.02837	0.6
97.06458	1.4
99.00750	1.7
101.02320	4.2
109.06445	1.3
111.07977	0.9
113.02338	4.1
119.03400	0.6
123.08071	1.0
125.09583	1.6
128.23288	0.5
151.11150	2.2
153.12695	1.1
161.04485	1.3
161.09671	3.0
163.11153	2.1
165.12770	1.3
169.12248	0.6
171.10155	1.5
179.10696	6.2
179.14221	0.6
180.10933	1.0
181.12267	0.9
195.13849	5.3
197.11763	49.2
198.12114	1.6
199.13461	0.7
205.12256	0.7
207.10150	2.1
209.11778	26.8
210.12067	1.4
211.13329	1.3
223.09677	2.0
223.13347	3.6
225.11275	2.6
227.12827	4.2
227.37975	0.6
232.52194	0.5
235.08179	2.0
238.11363	0.6
241.10735	2.4
245.19035	1.0
250.62593	0.5
253.09265	5.5
254.32240	0.6
263.20090	1.4
275.20074	3.2
289.18076	4.9
291.19659	1.4
293.21225	20.0
294.21423	1.9
307.19141	5.9
308.19351	1.0
309.20816	1.3
428.08090	0.6
445.20682	1.0
459.18921	0.9
461.19965	0.5
477.19659	2.2
513.39624	0.6
591.35382	0.8
721.87488	0.8
735.40454	0.8
753.40594	100.0
754.40881	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	753.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.6
59.01250	14.2
61.98700	100.0
66.66479	1.3
70.61399	1.2
71.01247	15.5
71.45197	1.2
71.50494	1.4
71.50990	2.3
73.02815	3.7
75.00733	3.2
78.95772	5.1
79.40408	1.2
80.96361	1.5
83.01263	1.8
83.04901	2.7
85.02827	5.0
87.00751	3.7
87.38739	1.3
88.98669	3.9
89.02299	9.2
91.17461	1.3
94.97938	2.2
95.01290	1.5
96.95875	6.9
97.02838	3.6
101.02328	10.7
103.81165	1.3
105.01794	1.4
109.06457	3.8
111.08061	1.8
113.02315	5.3
119.03374	1.9
123.00788	1.7
123.04417	1.7
125.02338	4.1
133.02780	1.7
135.08047	2.0
146.03664	1.6
152.99414	2.1
158.56264	1.2
161.02446	1.8
161.04457	2.2
163.11195	3.6
165.01910	1.4
171.10191	4.2
174.03134	2.0
175.03912	6.0
179.05487	2.2
181.12236	2.6
185.11703	1.5
195.13815	12.1
197.11768	7.5
199.13382	1.4
207.10213	9.9
209.11737	24.1
210.12090	1.8
211.13261	2.3
225.11292	20.9
227.12788	5.5
231.71219	1.5
235.08183	5.2
242.80408	1.2
253.09241	6.6
277.21704	9.1
289.18082	8.0
291.19733	2.8
293.20718	1.4
295.22751	88.0
296.23303	6.8
300.99725	4.4
307.19080	5.6
309.20834	8.8
349.53061	1.5
397.13425	18.9
398.13794	2.6
415.14560	21.3
461.20416	3.4
693.36737	2.9
731.25494	1.7
748.68219	1.7
753.41541	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	753.2238
Annotation	3,6'-Disinapoyl sucrose
Peak:m/z	Relative Intensity
57.03313	0.7
59.01245	1.4
59.66919	0.3
65.00190	0.4
69.37627	0.5
69.38037	1.5
71.01253	2.2
75.00767	0.3
82.64046	0.2
83.01260	0.6
85.02815	0.4
87.00747	0.9
89.02327	0.9
91.01758	2.0
93.03320	1.2
96.95876	0.6
97.02834	0.6
101.02322	0.9
108.02046	0.4
109.02849	1.5
111.00798	0.3
113.02316	1.2
116.19413	0.3
117.03332	0.3
119.01276	6.1
119.04932	0.3
120.01659	0.3
121.02849	1.8
123.00761	0.4
123.04414	1.0
123.47269	0.2
125.02333	4.9
132.01996	0.3
133.02867	0.6
134.03618	0.5
135.04420	0.9
137.02361	1.3
139.03902	0.3
145.02895	0.4
147.00793	4.1
147.04431	0.7
149.02344	9.9
150.02988	0.5
151.03981	0.5
152.01093	0.4
161.02353	2.1
161.05945	0.3
162.03059	0.6
163.03928	1.5
164.01047	0.3
164.04698	7.9
165.01823	2.3
165.05374	0.5
167.03438	0.5
169.01299	0.4
173.02342	0.4
175.00279	32.5
175.03705	0.6
176.00681	1.9
177.01875	1.5
177.05461	0.4
179.03426	0.5
179.06963	1.3
181.04994	0.3
181.97072	0.2
185.02365	0.2
189.01854	1.5
190.02637	72.3
191.03082	5.2
191.05473	0.3
193.01341	0.4
193.08662	0.2
199.03973	0.3
201.01874	0.2
203.03394	0.7
203.07111	0.6
205.04997	100.0
206.05376	5.8
207.02934	0.4
207.06537	0.3
208.03683	1.4
209.04475	0.4
217.01370	0.7
217.05031	0.3
221.08171	1.0
223.06067	10.7
224.06409	0.7
229.01424	0.8
232.03932	0.3
237.07684	0.5
245.00871	0.3
245.04634	0.3
245.08203	0.6
247.06052	0.4
250.04796	0.4
255.03152	0.5
257.00858	0.3
259.06033	0.4
265.07175	3.6
275.01938	1.0
277.07397	0.3
281.04572	0.4
283.06201	0.2
283.99661	0.3
287.05658	0.4
289.07217	3.5
295.08322	1.2
299.05606	0.5
299.99069	0.4
300.99893	12.9
301.07114	2.2
302.00186	1.9
303.00339	0.3
325.09497	1.2
341.06598	0.7
353.08267	0.3
367.10294	3.2
385.11395	0.9
407.07794	0.9
430.47543	0.2
449.09036	0.2
451.10123	1.3
463.10330	0.7
529.15601	6.3
530.16052	0.6
547.16663	15.2
548.17035	2.0
559.12640	0.3
583.12469	0.6
591.28479	0.3
601.13544	1.2
753.08893	0.4
753.22430	7.4
754.22333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.6
58.20887	1.7
59.01235	4.2
67.01770	1.7
69.45197	6.1
69.45610	6.2
71.01248	2.7
74.80915	1.8
81.03333	3.1
83.01249	6.9
85.02810	3.1
93.03331	2.1
95.04917	3.6
96.95860	3.0
97.02803	6.1
101.02325	2.0
108.02039	7.1
108.70575	1.7
109.02834	31.5
111.00786	3.0
114.56776	1.4
119.04881	2.6
120.00736	1.7
121.02818	6.2
123.00735	2.5
123.04433	20.9
125.02341	23.7
133.02852	9.7
135.02846	3.4
135.04414	4.8
137.02339	33.3
139.03865	5.1
145.02831	3.0
147.04396	2.2
149.02332	9.7
150.03154	3.8
151.00296	2.0
151.03912	9.1
159.04433	5.6
160.01526	2.0
161.02342	46.3
161.05956	7.0
162.02899	2.8
163.00272	2.4
163.03885	2.9
164.01025	6.2
165.01828	7.1
167.03430	2.8
169.01378	2.9
173.05922	1.7
174.03085	1.7
175.03928	6.4
175.07497	2.2
176.01056	3.9
177.01845	49.7
179.03461	8.7
187.03909	6.9
188.04610	4.3
189.01842	5.3
191.05586	3.3
201.01927	2.3
203.03412	3.9
203.07097	9.7
205.01286	3.4
205.05040	8.5
215.03381	2.7
216.00558	2.0
217.01341	5.5
218.05829	1.7
219.02747	2.2
221.08168	1.8
223.04623	2.1
227.03381	4.9
227.07021	3.7
229.01384	3.7
231.02950	2.5
241.05125	2.4
243.03008	2.5
244.03821	1.6
245.04401	3.6
245.08122	16.1
256.03665	1.9
257.04425	4.4
257.08023	1.6
258.05292	5.0
259.06042	6.6
269.04453	1.6
271.02304	2.5
275.01849	4.2
281.04309	2.5
283.03067	1.8
285.04037	2.9
287.05414	3.0
289.07156	100.0
290.07513	7.5
293.04532	3.5
296.03268	2.4
297.03903	3.2
299.05557	3.6
301.00006	13.3
301.07141	58.1
302.07581	4.9
308.03052	1.9
321.04059	3.3
339.04938	9.3
340.05725	3.0
341.06415	3.0
351.08676	4.9
353.06628	6.9
433.08725	1.8
449.08884	18.3
450.09128	3.5
451.10281	19.1
452.10599	1.9
459.07446	3.9
463.10312	28.4
464.10513	2.6
533.40204	1.7
583.12378	17.5
584.12341	3.4
601.13470	37.9
602.13245	7.6
711.26984	1.9
735.18042	3.1
753.06787	2.7
753.18494	31.5
754.18536	7.9
779.11938	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	752.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70397	0.1
59.01251	0.6
60.95270	0.1
61.98700	100.0
71.01259	0.4
71.50130	0.2
75.00765	0.2
78.95774	0.4
80.96368	0.2
87.69123	0.1
88.98704	0.3
96.95890	0.3
101.02335	0.3
101.78391	0.1
109.02859	0.2
109.06474	0.3
115.96310	0.1
116.92756	0.6
125.02345	0.6
135.04404	0.2
151.00314	0.2
151.03885	0.2
163.11191	0.2
165.01915	0.1
169.01329	0.2
171.10199	0.3
175.03947	0.6
182.08112	0.2
188.15326	0.1
197.11804	0.4
205.04990	0.1
207.10210	0.5
209.11804	1.2
210.12132	0.2
211.13364	0.3
225.11250	0.7
227.12883	0.4
243.02870	0.2
253.09422	0.2
269.55151	0.1
271.02466	0.4
289.07217	0.2
289.18011	0.2
300.02866	0.5
301.00061	0.3
301.03543	0.2
307.19452	0.2
309.20892	0.5
322.51459	0.2
380.50842	0.2
544.00586	0.2
726.76318	0.2
734.15955	0.2
734.38831	0.3
735.39697	0.3
752.39288	0.3
753.27252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	0.2
58.53173	0.1
59.01245	0.4
61.98699	100.0
62.98396	0.1
71.01254	0.3
71.50311	0.1
71.50714	0.2
73.02808	0.1
75.00752	0.3
78.95763	0.2
79.95609	0.2
80.96400	0.4
83.01292	0.2
88.98690	0.2
94.97999	0.1
96.95933	0.2
97.06584	0.1
97.69031	0.1
101.02321	0.9
102.01861	0.4
102.02671	0.1
103.00246	0.3
103.03888	0.2
111.00821	0.1
116.92772	0.2
121.02878	0.1
125.02341	0.3
137.02312	0.1
160.01331	0.1
169.01408	0.2
175.03972	0.3
207.10246	0.2
209.11787	0.6
225.00714	0.1
225.11288	0.1
258.52902	0.1
286.39343	0.1
300.99966	0.2
302.00272	0.1
328.32516	0.1
375.27695	0.2
673.11182	0.1
752.34076	0.3
753.33386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56587	1.3
57.03311	2.9
59.01252	14.0
61.98702	84.9
65.34662	1.4
69.03326	2.7
71.01256	14.8
71.51028	1.8
72.99185	5.7
73.02831	1.5
75.00734	18.5
78.95778	5.5
80.96395	1.6
82.98147	1.3
84.66386	1.8
85.02820	17.3
87.00736	7.2
89.02317	2.7
95.01257	4.8
97.02890	1.3
99.00749	7.8
101.02332	1.8
109.06475	1.7
113.02322	21.7
116.92735	11.8
117.01839	1.6
118.79048	1.4
129.01770	1.9
143.40347	1.3
152.99481	2.7
175.02391	4.0
176.99092	1.5
193.03433	1.8
195.13857	12.5
197.15451	2.2
205.12265	2.8
209.11682	1.9
210.91144	1.5
223.09833	2.0
223.13283	17.4
240.07390	1.4
249.06126	2.6
277.21759	8.3
289.18024	3.2
291.19553	1.8
293.21231	3.8
295.22784	31.5
296.23199	3.4
473.20343	2.2
545.29596	4.3
733.42767	1.6
751.42657	100.0
752.43109	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	751.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76986	0.5
55.01757	1.1
56.70106	0.4
57.03320	3.0
58.00462	1.1
59.01249	14.8
59.02798	0.4
61.98707	2.2
65.03837	0.8
67.01773	0.5
69.03329	3.3
70.97800	0.9
71.01253	13.4
71.01614	0.5
71.04893	1.6
72.99182	1.8
73.02813	3.6
78.95770	1.4
80.02564	0.8
81.03323	3.1
83.01259	1.7
83.04891	6.7
84.02033	0.6
85.02821	6.7
87.00741	3.1
89.02325	6.9
93.03356	0.8
95.01273	1.4
95.04908	4.2
96.95869	0.7
97.02841	3.3
97.06479	1.5
99.00781	0.9
99.04398	1.0
101.02324	10.3
101.02998	0.5
106.04144	1.2
109.02861	0.6
109.06469	3.7
110.03642	1.9
111.00765	0.7
111.04399	1.1
111.08032	6.6
113.02342	4.4
113.09577	0.8
116.92732	0.9
119.03358	2.3
122.75748	0.4
123.04399	1.7
123.08054	1.1
125.02306	0.9
125.09601	0.9
131.08578	0.6
135.08064	0.7
136.52118	0.5
137.09616	0.7
139.11201	0.6
142.02644	0.7
143.03371	1.0
145.04970	1.7
147.08046	0.5
149.09631	1.6
151.11143	0.6
153.09146	0.8
153.12785	0.6
154.15570	0.5
159.11690	0.8
161.04469	3.8
161.09636	0.9
161.13231	0.6
163.11189	1.1
165.12785	1.1
167.10672	5.5
167.14433	0.6
169.12260	0.8
171.10188	3.4
175.11220	1.4
177.09160	0.7
177.12759	12.0
178.13145	0.9
179.05511	1.4
179.10767	3.1
179.14331	3.4
181.12289	0.9
183.13887	2.7
186.80565	0.6
193.12225	2.4
195.13837	22.5
196.14212	1.4
197.11774	4.6
203.10762	3.2
205.12262	6.8
207.90530	0.5
209.11813	1.3
211.13333	8.2
212.13614	0.6
219.10156	0.6
221.11783	63.7
222.12151	4.1
223.13344	59.5
224.13637	3.7
225.14964	0.6
228.13611	0.5
231.21143	0.6
235.08199	6.1
237.14969	0.6
238.15154	0.7
239.12848	100.0
240.13202	7.0
247.20618	1.3
248.21048	0.5
253.09264	23.4
254.09586	1.1
256.13113	0.8
257.13809	0.9
273.18665	1.0
275.20190	7.1
276.20602	0.9
291.19653	46.2
292.20004	4.1
293.21219	85.3
294.21567	8.6
309.20715	1.5
313.16696	0.7
368.29861	0.6
457.20840	4.3
458.20926	0.6
459.22583	1.2
475.21863	14.1
476.21979	1.7
497.32922	1.1
515.33472	1.1
527.28656	0.7
529.30090	0.7
682.35651	0.8
715.38763	0.6
733.41406	1.3
751.42609	10.1
752.43048	3.3
770.33130	0.5
782.59009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03324	1.0
58.00471	0.6
59.01251	6.4
61.98695	1.3
69.03324	2.3
71.01254	5.5
71.04897	1.2
73.02818	1.2
78.95790	0.8
81.03330	0.4
82.63370	0.4
83.01256	0.5
83.04882	0.5
85.02826	1.6
85.06464	0.8
86.64709	0.3
87.00758	1.3
89.02307	3.2
93.86089	0.4
95.01263	0.7
95.04881	0.4
97.02824	0.8
97.06438	0.4
99.00761	0.5
101.02316	4.6
104.99018	0.3
109.06477	1.6
111.08042	5.9
113.02331	2.5
113.03473	0.4
119.03396	1.1
125.09617	0.9
127.07547	0.8
141.09116	0.4
145.05003	0.6
149.09619	0.9
151.11237	0.4
153.09198	0.5
153.12738	0.7
158.44716	0.3
161.04465	2.1
163.11197	0.9
165.12785	0.6
167.10678	3.3
169.12251	2.5
171.10182	0.9
177.12740	0.8
179.05545	0.5
179.10788	1.7
179.14342	3.3
181.12233	1.2
183.13866	0.8
193.12317	0.6
195.13829	10.1
197.11754	24.3
198.12097	1.4
199.13387	1.7
205.12276	9.3
206.12593	0.5
207.10164	1.8
209.11813	2.5
211.13335	4.3
221.11781	1.0
221.15486	0.3
223.13344	100.0
224.13684	7.0
225.11292	0.9
227.12782	1.0
235.08209	6.3
235.10457	0.6
239.13031	0.4
247.20514	0.5
253.09253	16.0
254.09532	0.6
263.20126	1.9
265.18076	0.8
273.18640	0.9
289.18164	0.5
291.19650	15.4
292.19907	0.9
293.21259	1.2
309.20694	51.7
310.21030	5.0
323.22379	0.6
381.23291	0.4
432.36191	0.4
433.20978	0.4
459.16006	0.6
459.22345	10.2
460.22684	1.2
461.20105	0.4
515.34009	1.0
527.28125	0.6
545.29663	1.1
751.39905	1.9
752.41486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03320	1.1
58.00471	0.3
58.98633	0.3
59.01250	7.2
61.98703	1.1
67.41846	0.3
69.03332	2.4
71.01252	5.7
71.04877	0.9
72.01608	0.3
72.99185	0.7
73.02811	1.4
78.95801	0.3
81.03311	0.4
83.01263	1.0
83.04900	1.3
85.02817	1.6
85.06492	0.6
85.15295	0.3
87.00751	1.2
88.73293	0.2
89.02326	4.0
93.03371	0.4
95.01276	0.5
95.04894	1.1
97.02828	0.8
97.06474	0.6
98.19757	0.6
99.00766	0.3
101.02329	5.0
109.06474	1.2
111.08041	10.1
112.08407	0.5
113.02326	3.2
119.03391	1.6
125.02337	0.6
125.09611	0.5
127.07546	0.8
141.09123	0.5
143.03407	0.6
149.09584	0.9
151.11179	0.7
153.09106	0.8
153.12740	1.3
156.66772	0.3
159.03174	0.3
161.04445	2.1
161.09741	0.3
161.13286	0.3
167.10686	3.3
169.12241	4.8
170.12506	0.4
171.10191	0.6
177.12782	1.0
179.05499	0.9
179.10703	1.9
179.14330	3.4
181.12267	1.3
183.13861	0.7
187.11198	0.4
193.12219	0.3
195.13841	9.9
196.14159	0.8
197.11758	50.6
198.12106	3.2
199.13345	3.9
205.12274	10.0
206.12544	0.4
209.11772	1.1
211.13347	7.5
212.13687	0.5
221.11771	3.7
223.13345	100.0
224.13699	6.7
225.11237	0.4
227.12859	1.5
229.21756	0.3
235.08183	4.3
239.12868	2.4
247.20607	0.4
253.09258	22.6
254.09666	1.0
263.20139	3.6
264.20517	0.5
265.18106	1.3
271.22116	0.3
273.18564	1.2
291.19653	20.9
292.20126	1.8
293.21277	2.9
294.21515	0.4
307.19116	0.3
309.20697	71.7
310.21051	6.6
433.20651	1.3
459.22333	6.7
460.22580	0.7
475.22128	0.3
515.33911	1.5
516.33960	0.3
517.05322	0.3
518.77399	0.3
527.28461	0.5
545.29712	2.3
546.30255	0.5
666.23602	0.3
751.42542	1.6
752.41003	0.5
756.24817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03057	0.2
57.03307	1.1
58.00478	0.6
59.01245	6.1
61.93450	0.2
61.98701	0.3
69.03324	2.9
69.36199	0.6
69.36605	1.1
71.01250	4.2
71.04889	0.7
72.99161	0.3
73.02822	0.9
78.95780	0.2
83.01263	0.5
83.04905	0.9
85.02820	1.2
85.06470	0.3
87.00754	1.2
89.02303	3.2
93.03319	0.4
95.01250	0.7
95.04913	0.5
97.02843	0.8
97.06461	0.5
101.02319	3.9
101.02930	0.3
109.06474	1.0
111.08035	6.8
111.08809	0.4
112.08350	0.3
113.02316	2.0
119.03408	0.6
120.27947	0.2
121.06457	0.2
123.08044	0.4
125.06076	0.2
125.09644	0.5
127.07510	0.4
131.03429	0.3
135.11687	0.3
137.09636	0.3
137.83807	0.2
141.09126	0.3
143.03375	0.5
145.04939	0.5
149.09647	0.9
151.11183	0.5
153.09103	0.6
153.12740	0.8
161.04477	2.1
161.13286	0.4
163.11188	0.3
165.12775	0.6
167.10669	3.4
169.12225	2.7
171.10199	0.8
177.12787	0.8
179.05521	0.8
179.10686	1.8
179.14317	3.5
180.14630	0.3
181.12242	0.7
183.13838	0.4
185.34845	0.2
187.11157	0.2
193.12326	0.4
195.13828	10.2
196.14154	0.9
197.11752	33.2
198.12076	2.2
199.13318	2.1
205.12267	10.4
206.12607	0.7
209.11806	0.5
211.13324	4.5
212.13690	0.3
221.11786	0.4
223.13335	100.0
224.13676	7.3
225.11351	0.3
225.14890	0.3
227.12730	1.0
235.08168	5.5
235.10442	0.4
236.08525	0.2
247.20654	0.6
249.14886	0.5
253.09254	15.0
254.09561	0.8
263.20160	1.7
265.17978	1.0
273.18594	0.9
291.19638	14.2
292.20029	1.6
293.21289	0.3
309.20682	46.5
310.21057	5.1
433.20734	0.7
441.21118	0.5
459.22305	10.1
460.22516	1.6
515.33850	0.7
524.17560	0.2
527.28473	0.4
545.29419	1.8
751.42126	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	751.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71637	1.4
54.59116	1.2
60.86345	1.3
63.96115	2.0
64.64247	1.2
65.69815	1.1
69.90305	2.1
69.90710	5.1
71.01251	8.9
73.02834	1.6
78.95767	4.2
78.98455	8.8
79.95606	13.0
80.96387	87.3
81.03304	1.6
85.02819	3.4
87.00740	3.3
87.58648	1.4
94.97950	16.0
96.96783	1.3
98.20645	1.7
101.02332	2.6
102.04226	1.3
106.97961	3.7
122.97462	3.6
125.02330	3.9
134.97475	7.0
136.99112	2.6
148.99004	7.3
152.98526	7.6
164.88115	1.3
164.97546	1.3
164.98564	15.1
169.12222	4.6
196.89426	2.9
197.11778	2.8
206.99644	4.7
224.98471	1.5
225.00681	28.9
255.23277	4.1
446.45352	1.5
495.15436	4.1
733.39233	1.8
751.39374	100.0
752.39825	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
59.01251	19.2
61.98699	58.6
64.24915	0.8
66.74703	1.0
68.99684	1.0
69.27337	9.5
71.01244	9.7
71.04922	0.8
72.99197	1.1
73.02830	2.3
78.95794	1.0
80.02542	2.5
80.96381	1.2
81.03305	2.6
83.04909	7.9
84.02065	1.3
85.02832	4.4
87.00762	3.8
88.98679	2.2
89.02322	5.3
93.03342	1.8
95.04911	1.9
96.95894	3.7
101.02319	7.2
109.02872	1.8
113.02342	3.5
115.03873	1.0
116.92745	3.4
119.03400	1.6
121.02819	0.9
123.00800	1.2
123.04407	2.1
125.02351	4.1
125.05982	1.0
135.02887	1.5
135.04433	2.1
135.08061	1.1
137.02328	2.3
145.02800	0.9
149.06047	2.2
151.03922	1.1
151.11200	1.7
153.12784	1.3
161.02356	2.8
161.04456	2.3
163.11197	6.1
165.12805	3.2
168.03662	1.1
169.01335	2.1
169.12251	32.0
169.13661	2.0
170.12592	1.7
171.10172	1.2
173.04407	1.1
174.03165	1.9
175.03880	5.5
176.04175	0.9
177.01823	1.4
179.03377	1.9
181.12296	1.2
187.03810	1.2
189.01871	1.1
190.02606	1.4
191.03867	1.7
191.05539	11.1
191.10754	1.5
192.05960	1.6
197.11763	64.8
198.12155	4.3
201.01877	1.1
209.11761	100.0
210.12105	6.4
211.04030	1.2
227.12827	7.0
235.08131	1.0
253.09177	5.6
265.04883	1.2
300.99875	3.0
302.00128	1.2
322.87927	1.0
341.06628	0.9
450.27719	1.1
451.27731	2.0
687.32135	28.4
687.43134	1.7
688.31982	6.0
719.25220	0.7
719.34875	49.7
720.35138	12.3
751.37732	59.8
752.38287	14.0
778.38092	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	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85182	0.6
57.03324	2.3
59.01247	12.2
61.98701	100.0
69.03328	0.8
71.01250	9.9
71.51764	1.2
72.99194	1.5
73.02834	2.2
75.00761	0.8
77.58795	0.6
78.91837	0.8
78.95779	1.0
80.91550	9.4
80.96401	2.9
83.01235	0.9
83.04903	1.7
85.02834	3.0
87.00754	2.0
88.98695	1.3
89.02312	6.8
93.03344	0.8
95.01277	0.9
96.95901	1.8
97.02840	1.8
99.00755	0.7
101.02303	7.0
105.17495	0.7
107.91447	0.8
109.06494	1.4
111.04412	0.9
113.02354	3.2
113.09603	5.9
116.92760	1.4
119.03407	3.2
125.02318	3.3
137.52429	0.7
143.03406	1.3
161.04512	2.1
163.11385	0.7
167.10724	1.4
171.10214	1.9
175.03940	2.0
179.05556	2.1
179.10732	1.5
195.13918	1.3
207.10236	1.2
209.11774	12.0
210.12132	1.9
211.13348	2.0
221.06659	1.2
223.09740	0.7
223.13338	3.4
225.11331	2.3
227.12813	1.0
235.08113	3.6
245.11650	1.4
253.09280	1.8
275.01959	0.9
287.07721	0.9
287.16611	0.8
293.21222	51.7
294.21509	3.8
299.99045	1.3
300.99905	4.2
305.17688	1.3
397.13449	25.7
398.14029	1.9
412.89859	0.9
415.14572	14.0
416.14688	1.1
691.35480	3.6
692.36420	0.8
719.07172	2.2
751.31732	1.0
751.41919	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	749.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16577	1.1
63.96111	2.0
70.16296	5.3
71.01244	8.2
72.81673	1.2
73.02789	1.4
78.95776	1.9
78.98463	7.9
79.95603	14.0
80.96390	76.3
82.95955	2.0
85.02820	2.5
87.00743	3.2
94.97961	17.6
96.95883	1.8
101.02337	2.3
103.55020	1.3
106.97955	2.9
122.97479	4.5
125.02363	2.7
134.97469	5.6
148.99030	6.0
152.98488	5.3
158.48701	1.0
164.98523	10.1
167.00092	1.1
206.99641	2.0
207.18672	1.3
225.00679	16.5
255.23201	2.9
298.60190	1.3
493.17365	3.1
644.01086	1.2
749.41388	100.0
750.41779	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	749.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81802	1.3
57.76603	1.4
61.81487	1.6
71.01250	10.4
71.19272	1.6
71.91469	1.5
78.95757	2.2
78.98450	7.2
79.95606	18.2
80.96386	100.0
85.02814	3.0
87.00735	4.5
94.88303	1.6
94.97957	26.5
96.95883	1.8
97.02824	2.6
98.20550	5.7
101.02319	2.1
106.97966	4.8
122.97446	4.5
134.97467	6.5
136.99036	2.7
148.99023	7.0
152.98497	7.0
164.98503	16.5
178.11305	1.5
184.28830	1.5
206.99594	2.7
225.00658	19.2
255.23158	3.4
277.21655	1.9
302.73517	1.7
409.94971	1.6
493.17538	2.3
749.41437	66.5
750.41486	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	749.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.8
57.03310	2.2
58.00460	0.8
59.01251	12.4
61.98700	2.2
67.01756	0.8
68.99689	1.0
69.03314	1.9
70.79257	1.7
71.01251	16.9
72.99175	4.8
73.02811	1.6
75.00744	17.6
78.95776	1.3
80.96380	0.9
83.01253	0.8
85.02819	18.8
86.38319	0.6
86.57437	0.5
86.84247	0.6
87.00755	5.6
88.98661	0.6
89.02329	3.4
93.03365	0.7
95.01264	4.2
99.00755	9.6
101.02337	0.7
103.00230	1.7
105.09663	0.6
111.00716	1.0
113.02325	18.1
114.02649	0.8
115.00246	2.0
117.01804	2.6
125.02388	0.5
129.01793	1.7
130.83272	0.5
149.09586	0.7
157.01300	0.8
167.10681	2.0
175.02393	3.1
176.19498	0.6
177.12717	0.6
177.52632	0.6
178.21637	0.6
179.14322	2.4
193.03339	0.7
195.13824	8.9
196.14212	0.5
197.15294	1.1
205.07072	1.0
205.12276	5.1
211.13258	0.6
223.13344	25.5
224.13762	1.3
244.73026	0.5
249.06049	2.7
275.20108	1.8
293.21219	14.2
294.21613	1.6
455.19299	1.2
473.20187	2.6
522.38794	0.7
525.27197	0.8
543.28082	2.8
680.34631	0.7
705.43146	0.7
731.40277	0.9
749.41101	100.0
750.27655	1.0
750.41388	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	749.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95254	0.3
55.01751	0.3
57.03314	1.3
59.01246	7.9
61.98706	2.3
63.23977	0.4
64.88919	0.3
65.86640	0.3
69.03323	2.4
69.32908	2.1
71.01247	6.1
71.04885	2.5
72.99181	2.3
73.02801	1.1
73.78398	0.3
75.58167	0.3
78.95773	1.0
79.87330	0.3
80.02534	0.5
80.96377	0.3
81.03339	1.0
82.95289	0.3
83.01263	0.8
83.04893	1.4
85.02814	1.4
85.06438	0.3
87.00776	1.4
89.02321	3.6
93.03326	0.5
95.01241	0.7
95.04900	1.3
96.95878	1.0
97.02852	0.4
97.06438	0.7
98.03640	0.5
98.19831	0.5
99.00748	0.4
101.02320	5.3
106.04137	0.6
107.04887	0.5
109.06470	8.4
111.04404	3.1
111.08027	1.4
113.02322	2.4
119.03375	0.7
123.08042	1.4
125.02322	0.6
125.09598	0.6
127.07550	1.6
135.11661	0.7
137.09627	1.0
141.09100	0.4
143.03345	0.5
143.10669	0.8
143.23030	0.3
145.05028	0.8
145.06506	1.7
149.09610	1.9
151.11221	1.1
159.08002	0.5
161.04485	1.8
163.11186	0.5
167.10703	4.7
168.10989	0.4
171.10172	0.5
177.12817	1.9
179.05511	0.9
179.10715	2.0
179.14297	3.4
181.12250	0.8
191.14346	0.7
195.13832	13.5
196.14172	1.0
205.12267	10.2
206.12592	0.6
207.10159	0.4
209.11766	2.4
220.10141	0.3
221.11725	0.4
223.13341	100.0
224.13704	5.7
225.11331	0.6
233.15514	0.4
235.08194	4.7
235.13309	0.8
237.11249	1.1
237.14883	1.6
245.19130	3.3
251.16492	0.8
253.09253	12.5
254.09641	0.7
261.18613	0.5
265.17746	0.4
271.17081	1.4
273.14874	0.5
275.16495	0.9
276.16846	0.3
287.16492	1.2
289.18085	95.1
290.18433	8.7
291.19757	0.5
293.21213	2.0
295.22849	0.5
307.19125	4.9
308.19321	0.5
313.68436	0.3
363.52072	0.4
403.25012	0.5
437.27078	2.3
439.28525	0.4
441.20920	0.7
455.28134	1.3
459.22342	8.6
460.22659	1.0
464.97812	0.3
473.20392	0.3
477.30566	0.6
495.31168	1.6
507.25333	0.4
511.25357	0.3
513.32495	1.4
525.26837	2.6
526.27679	0.7
543.26532	0.3
621.33228	0.6
632.05414	0.3
673.35907	2.3
674.35730	0.4
691.37885	0.5
713.39691	0.3
731.40167	1.9
732.40472	0.6
749.40033	1.1
750.41309	0.4
771.58331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.7
57.03309	3.4
58.00467	0.9
59.01002	1.1
59.01251	14.5
69.03301	1.0
71.01250	19.7
72.99175	6.9
73.02816	1.7
75.00740	22.9
80.96392	1.9
81.03317	1.6
83.01254	2.6
84.02044	1.8
85.02819	26.5
86.95679	0.7
87.00745	7.0
89.02312	3.2
90.90422	0.7
95.01249	5.2
98.98387	0.7
99.00757	13.8
99.01359	1.3
100.65441	0.9
103.00243	2.1
113.02326	26.9
115.00245	2.3
117.01817	3.2
119.80334	1.1
129.01851	1.9
135.07954	0.9
157.01370	1.0
158.42990	0.8
163.11223	4.5
165.12679	1.5
175.02414	3.5
181.12239	1.4
191.10661	1.3
209.11760	39.0
210.12100	1.4
227.12846	3.1
249.06061	2.6
255.23262	100.0
256.23593	8.0
505.30054	4.3
641.93359	0.9
647.05841	1.1
697.41785	1.5
715.42682	97.2
716.42993	23.4
747.45502	72.9
748.45673	20.8
748.59106	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	747.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.1
57.03303	3.0
59.01247	12.2
62.47852	0.8
66.88257	0.7
68.75354	0.7
68.99700	0.8
71.01250	19.0
72.99174	6.0
73.02782	1.2
75.00741	20.9
80.02570	1.2
81.03329	1.5
83.01251	1.3
84.02058	1.8
85.02819	22.3
87.00749	7.4
89.02319	4.4
95.01245	5.5
95.04889	1.4
96.29124	0.8
99.00749	13.5
103.00246	2.4
111.00753	0.8
113.02325	24.9
115.00239	2.8
117.01807	3.1
129.01813	1.7
131.03342	0.8
135.08009	1.2
157.01292	1.0
163.11258	4.2
165.12732	2.6
175.02405	3.5
181.12340	1.0
191.10757	1.2
191.40334	0.8
205.07088	1.3
209.11754	69.7
210.12061	4.7
227.12820	5.4
249.06128	2.1
255.23257	49.7
256.23630	5.4
277.53467	0.8
477.19827	2.0
509.22559	0.9
524.59320	0.9
530.52557	0.7
697.41571	1.4
715.42676	100.0
716.43030	23.1
747.45313	69.7
748.45544	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	747.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00745	0.8
63.96108	1.5
69.03331	0.7
70.16312	0.7
71.01251	6.5
73.02802	1.2
78.95757	1.5
78.98451	5.1
79.95603	10.7
80.96388	65.6
84.23132	0.6
85.02811	2.7
86.30996	0.9
87.00742	2.5
93.74272	0.7
94.97390	1.2
94.97961	15.9
96.95898	1.4
97.02827	1.4
98.39883	0.7
99.00753	1.0
101.02299	2.9
106.97958	2.8
122.97449	4.8
125.02315	2.0
127.39615	0.8
134.97476	3.9
136.99011	1.0
148.99043	5.2
152.98557	5.3
154.80788	0.7
164.98529	10.6
167.02765	0.8
176.74240	0.7
206.99562	2.7
209.11732	1.0
225.00697	12.9
225.14920	0.8
255.23259	3.8
275.12466	0.8
293.61682	0.8
341.23471	1.2
382.30588	0.7
491.16055	1.8
492.02185	0.9
537.27606	1.1
747.39825	100.0
748.40063	24.3
757.33527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66120	0.6
54.77306	0.7
59.01249	100.0
60.01580	1.0
61.98709	1.1
62.63247	0.7
63.44931	0.6
70.06255	2.4
75.99889	0.7
78.95781	1.4
80.96395	0.8
98.20490	0.7
131.93085	0.8
139.99179	0.8
255.23227	1.6
320.14807	0.9
388.41309	0.9
453.12164	0.9
455.17365	3.5
459.16904	1.0
459.57370	0.9
469.11331	1.3
473.18027	4.3
474.18436	1.2
483.12918	2.1
496.13977	2.2
510.15161	1.0
511.11887	0.8
512.13239	11.6
513.13507	2.9
526.14917	13.7
527.15540	3.6
569.16919	1.8
586.17822	0.9
599.17810	2.3
600.18896	1.1
601.19659	5.2
613.19562	2.2
614.20172	77.9
615.20422	16.2
618.15521	1.0
632.17584	1.6
646.19189	10.4
647.19592	2.7
673.21643	1.0
687.23102	4.7
688.23309	1.2
747.25201	56.6
748.25415	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	745.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16921	17.9
59.90408	22.6
70.09814	100.0
135.67162	19.0
166.52011	23.0
194.82639	21.3
248.41759	21.0
281.24896	59.2
509.28894	27.0
532.80652	23.4
553.33392	23.7
641.39575	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	746.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98402	0.2
69.33033	0.4
69.33444	1.3
78.95790	0.6
82.38736	0.2
82.77333	0.2
84.67205	0.2
91.09360	0.2
96.95902	0.2
120.72332	0.2
125.02343	0.3
152.99503	0.4
171.10223	0.4
349.64822	0.2
509.28741	0.3
747.39667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40919	0.2
59.01251	2.8
61.98701	1.4
64.95618	0.2
69.28350	1.5
69.72401	0.2
71.01246	0.3
85.02791	0.2
94.70188	0.2
96.95892	0.5
109.02854	0.4
116.92716	0.3
120.99541	100.0
121.99931	1.5
125.02317	0.5
135.04419	0.5
137.02339	0.6
150.03192	0.2
151.03891	0.2
160.01639	0.2
161.02367	0.4
165.01901	0.3
165.05515	0.3
166.02538	0.2
169.01396	0.2
173.04472	0.3
174.03171	0.3
175.03917	2.9
179.03363	0.4
192.99590	0.3
200.22710	0.2
205.04877	0.2
208.01869	0.3
211.04233	0.2
223.04349	0.2
241.05371	0.6
296.52597	0.2
314.11636	0.2
329.13879	0.8
341.13950	0.6
379.08344	0.2
575.29901	0.2
640.91852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04465	0.5
59.01264	1.8
61.98710	4.0
69.98947	3.0
71.01275	1.9
88.98656	0.9
93.03333	4.4
95.01263	0.9
105.03329	0.8
105.47234	0.6
108.02098	1.4
109.02853	2.0
111.00742	1.1
121.02843	13.0
122.03622	13.5
123.00760	1.7
123.04387	1.9
124.01582	1.1
125.01510	0.7
125.02357	2.7
132.01999	0.7
133.02829	2.7
134.03670	0.9
135.02933	0.7
135.03369	0.8
135.04414	11.2
136.01550	19.2
137.02396	3.7
139.03905	1.2
143.04977	0.7
145.02925	0.8
147.04410	2.2
149.02344	31.6
149.05989	1.9
150.03125	92.2
151.00273	4.8
151.03925	25.4
152.01086	1.0
152.04359	1.0
154.02699	1.4
159.04352	1.1
160.05229	1.8
161.02383	1.7
161.06026	1.6
162.03116	1.5
163.03929	4.1
164.04686	7.3
165.05476	100.0
166.02635	14.4
166.05795	6.3
167.03397	3.5
169.01341	0.9
172.05278	1.3
173.02501	0.7
173.04288	0.7
174.03065	1.1
175.03889	6.4
175.07597	0.7
177.01846	2.2
177.05504	1.8
179.03590	1.5
179.06998	1.0
180.04199	7.9
181.04974	20.7
182.05302	1.7
187.03976	1.2
189.05476	3.7
190.02667	0.6
190.06255	8.1
191.03468	0.9
191.05525	2.0
195.06549	70.1
196.06877	3.8
197.84708	0.5
205.05013	1.4
205.08554	2.0
210.47324	0.6
219.06560	0.9
221.08070	1.6
255.02855	0.8
255.10315	0.8
266.05603	0.9
267.06467	0.7
282.05313	1.6
297.07697	1.3
300.99792	1.8
301.03067	0.8
309.07477	0.6
311.09418	0.7
314.07892	0.7
315.08701	1.8
325.10690	1.0
326.11310	0.7
329.10205	3.7
340.12958	0.7
342.10895	2.2
355.11859	1.3
356.12473	2.2
357.09555	3.3
357.13327	10.7
358.09848	1.0
358.13690	1.8
369.47623	0.6
372.11859	4.2
373.12570	2.4
386.13531	2.3
387.14459	54.0
388.14841	8.1
490.16028	1.0
505.18781	4.1
506.18903	0.9
517.18542	1.0
520.16931	0.9
535.19708	69.4
536.12231	0.8
536.20032	13.2
553.20074	2.3
565.20404	2.3
566.21222	0.8
583.21808	37.1
584.22308	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94851	0.4
55.01723	0.4
58.00484	0.6
59.00949	1.0
59.01245	10.8
61.98698	4.5
71.00893	0.9
71.01257	8.7
71.50864	0.5
72.99179	0.9
73.02810	0.8
83.01273	0.9
85.02833	2.1
87.00747	0.7
87.28142	0.4
88.98698	0.8
89.02316	9.9
93.03339	3.1
95.01270	0.9
95.34840	0.5
96.95898	1.1
101.02333	4.1
108.02041	0.8
109.02844	1.8
111.04355	0.5
113.02332	3.3
119.03400	3.2
119.04929	0.7
121.02844	5.1
122.03629	10.3
123.00756	0.8
123.04366	1.4
124.01535	0.6
125.02386	2.5
133.02838	1.8
134.03574	1.2
135.02873	0.9
135.04424	2.3
136.01561	11.7
137.02399	2.4
139.33966	0.4
143.03398	0.9
143.94415	0.4
145.02832	1.3
147.04472	0.6
149.02339	15.7
149.06049	0.4
150.03127	78.5
151.00272	3.9
151.03929	12.9
153.01784	0.5
161.02338	2.1
161.04433	0.8
161.05984	0.6
162.03160	4.4
163.03915	1.1
164.04744	3.9
164.82434	0.5
165.05478	100.0
166.02628	9.1
166.05792	4.6
167.03319	1.2
169.01340	0.5
172.05234	0.5
174.03065	1.5
175.03960	2.6
176.04794	0.7
177.01848	1.6
177.05441	3.3
178.02617	0.7
179.03407	1.2
179.05470	1.4
179.06960	0.6
180.04201	6.6
181.04970	11.6
189.05551	0.6
190.02629	0.5
190.06285	1.6
191.03477	0.8
191.05515	1.3
193.05022	1.4
195.06551	88.2
196.06876	3.3
205.05132	0.7
209.04518	0.8
209.11751	0.7
210.86775	0.5
221.08168	0.5
271.02563	0.7
300.02780	0.9
300.99872	2.1
301.03510	1.4
309.07529	0.6
311.09418	0.5
329.10193	0.8
341.10089	0.6
342.10934	1.2
355.11700	0.5
357.09619	1.8
357.13315	6.6
358.13776	0.6
372.12030	1.6
373.12411	0.5
387.14487	24.7
388.14758	2.7
438.92844	0.6
471.07269	1.1
535.19714	5.6
536.19739	0.9
547.19537	1.0
553.20850	1.3
565.20258	0.9
583.21851	15.3
584.22064	3.1
593.07562	0.6
745.24042	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	743.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55281	0.8
58.10555	0.8
59.01242	2.4
61.98688	2.3
62.96272	0.8
65.80222	0.8
78.95775	100.0
96.96838	8.3
98.19660	1.4
112.25315	0.9
113.09614	2.0
129.09058	1.4
130.40616	0.9
134.98450	1.3
152.99496	55.6
153.99808	1.9
164.40804	0.9
171.00615	1.3
171.10155	2.2
177.68280	1.0
181.12254	1.9
195.13811	10.4
197.11746	3.8
199.13359	2.5
211.13353	6.3
225.11342	1.3
242.55095	1.0
277.21753	9.5
279.23270	1.4
281.24930	4.0
293.21191	4.9
295.22760	34.5
296.23154	3.0
311.22299	12.2
312.22696	1.7
323.37677	0.8
431.22025	26.3
432.22385	2.2
447.21524	17.8
448.21866	3.0
449.23145	8.1
463.20831	1.5
465.22565	5.8
709.41779	0.9
743.45056	62.1
744.45245	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	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58037	0.4
55.01765	0.4
57.03327	0.6
59.01244	4.1
61.98702	6.8
62.83459	0.4
71.01254	3.0
73.02830	0.7
78.95764	0.3
80.02547	0.9
81.03342	0.7
83.01258	0.3
83.04903	3.7
84.02032	0.5
85.02831	0.8
87.00765	0.6
89.02324	2.0
95.01291	0.3
95.04903	0.4
97.06435	0.4
98.19652	0.5
101.02309	2.5
109.06492	0.3
111.08018	0.3
113.02326	1.9
113.09585	1.3
119.03427	0.7
119.58285	0.2
124.13904	0.3
125.06016	0.4
125.09571	0.4
130.48828	0.3
135.08034	0.3
143.03444	0.4
161.04500	1.1
163.11214	3.1
164.11490	0.5
165.12749	1.3
177.12712	0.4
179.05518	0.5
179.14310	0.7
181.12263	0.6
191.10675	0.7
195.13831	13.5
196.14224	0.9
197.11786	0.3
209.11768	80.9
210.12112	5.6
211.13315	1.2
212.13658	0.6
214.15396	0.3
219.25485	0.3
227.12816	9.1
228.13222	0.6
235.08212	1.3
251.23666	0.3
253.09254	16.0
254.09587	1.0
277.21710	13.0
278.22150	1.4
293.21179	0.5
295.22766	100.0
296.23145	9.3
323.97794	0.3
445.20621	0.9
487.34338	1.2
531.31683	0.7
575.89294	0.4
741.42480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43680	0.1
57.03316	0.4
59.01249	2.9
61.75426	0.1
61.98698	1.8
69.03318	0.2
70.07430	0.1
70.84534	0.3
70.84896	0.2
71.01253	2.6
71.04903	0.2
72.99162	0.3
73.02810	0.5
78.95773	0.2
80.02535	1.0
81.03317	0.9
83.01260	0.3
83.04897	4.5
84.02044	0.6
85.02841	0.5
87.00745	0.5
89.02317	1.5
90.34636	0.2
93.03355	0.2
95.01226	0.2
95.04910	0.6
97.02869	0.2
97.06522	0.2
101.02328	2.3
111.00806	0.2
111.08047	0.2
113.02339	1.3
113.09612	0.8
119.03381	0.4
125.02369	0.1
125.05974	0.4
125.09590	0.3
125.23734	0.2
131.03473	0.2
135.08060	0.6
143.03407	0.2
145.05013	0.3
147.11693	0.4
152.99594	0.2
161.04456	1.0
163.11191	3.6
164.11496	0.2
165.12756	1.9
169.12384	0.2
171.10172	0.2
179.05530	0.4
179.14368	0.3
181.12306	0.8
191.10701	0.9
195.13847	5.6
196.14159	0.4
197.11752	0.2
197.85123	0.1
199.13437	0.2
209.11772	100.0
210.12108	7.4
211.13347	0.4
212.13680	0.2
227.12848	9.3
228.13133	0.8
235.08182	2.4
251.23836	0.2
253.09265	10.1
254.09688	0.5
277.21732	6.0
278.21994	0.2
293.21237	0.5
294.21457	0.2
295.22772	45.5
296.19800	0.3
296.23123	4.6
344.60507	0.2
431.53973	0.2
433.46475	0.1
443.92258	0.2
445.20871	1.4
487.34064	0.3
553.50891	0.2
741.43005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
59.01236	1.0
61.98698	4.8
70.24171	0.5
70.25067	1.9
70.87959	0.4
71.04852	0.6
78.95772	100.0
83.04908	0.5
86.44683	0.4
93.07008	0.4
96.96202	0.6
96.96837	10.0
97.06399	0.6
98.19766	0.4
99.08057	0.7
111.08021	1.9
112.32479	0.5
113.09586	1.1
123.08070	0.5
125.09610	0.9
129.09088	0.9
134.98424	1.6
150.97853	0.5
151.11188	0.7
152.99481	55.1
153.12772	0.5
153.99805	0.7
163.83546	0.4
165.12682	0.5
169.12263	1.5
171.00568	0.9
171.10129	2.7
175.86324	0.5
181.12257	1.3
183.13771	1.0
187.09680	0.5
193.12267	0.6
195.13794	5.2
197.11743	7.5
198.12048	0.5
199.13326	1.7
200.13617	0.4
209.11751	0.9
211.13313	6.7
211.65353	0.4
223.13344	1.7
227.12598	0.6
229.14362	0.6
247.20575	0.5
259.02185	0.4
275.20178	1.3
277.21667	5.4
279.23184	0.9
291.19684	1.1
293.21216	15.6
294.21469	1.6
295.22772	14.6
296.23077	1.2
299.04272	0.5
304.09103	0.5
309.20654	2.9
311.22284	10.4
312.22556	0.5
327.21820	0.8
350.84897	0.5
413.21268	0.7
429.20407	8.4
430.20377	1.2
431.21951	8.4
432.22220	1.2
445.19925	7.7
446.20502	1.1
447.21500	21.4
448.21652	2.7
449.22891	3.1
450.23169	0.5
463.20987	3.7
464.21988	0.5
465.22473	5.4
741.43512	52.2
742.43665	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	741.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36126	0.5
55.01783	0.7
57.03318	2.0
58.00467	1.1
59.01248	8.6
61.98702	3.5
69.03345	0.7
70.65468	0.9
70.65806	1.2
71.01251	6.4
72.99181	0.5
73.02824	2.0
78.95765	0.7
81.03313	0.9
83.01257	1.1
83.04898	2.7
85.02812	1.3
87.00766	1.1
88.00285	0.6
89.02328	4.0
93.68893	0.5
95.01275	0.8
95.04878	1.4
97.06464	4.5
101.02325	5.5
103.98857	0.5
109.06467	0.7
111.08047	4.4
113.02335	2.8
123.08092	0.6
125.02377	0.7
125.09668	0.5
127.07581	0.7
133.10143	0.6
143.03415	0.7
145.04982	0.5
149.09616	1.1
151.11194	14.3
151.12415	0.7
152.11507	1.0
152.99425	0.6
153.12785	0.8
161.04449	1.8
169.12259	77.3
170.12598	4.1
171.10156	1.5
174.41403	0.6
179.05550	0.8
180.23438	0.6
181.12250	1.0
181.69334	0.5
183.13736	0.8
185.11768	1.0
195.10175	2.0
195.13841	2.9
197.11775	18.8
198.12134	1.3
199.13335	1.3
201.11301	0.7
209.11798	16.5
210.12149	1.1
211.13394	3.6
213.11259	9.9
213.60315	0.5
225.11327	0.9
227.12802	4.7
228.13029	1.2
232.54094	0.6
235.08215	3.0
253.09261	7.4
263.20227	1.1
277.21729	2.1
279.19788	3.0
291.19693	2.7
293.21216	2.3
294.21503	1.5
295.22766	14.8
296.22946	1.2
309.20673	6.4
311.21970	0.6
392.21902	0.7
431.19220	2.5
449.20279	5.3
466.06525	0.6
713.22968	0.6
741.40643	100.0
742.40991	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	741.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38990	1.3
58.51558	1.3
59.01241	5.0
59.80227	1.3
60.15332	1.2
61.98701	9.1
68.68565	1.4
71.01260	3.4
72.99168	2.2
78.77912	1.1
83.04887	2.4
88.98689	5.0
89.02334	4.3
91.92265	1.3
96.34200	1.3
96.95889	2.0
98.20551	3.7
101.02333	2.0
113.02324	1.7
114.02897	1.2
114.49323	1.3
116.92751	1.5
124.05161	1.4
125.02314	2.5
137.31607	1.3
153.07956	1.3
161.04308	1.4
189.01701	1.4
190.02681	4.1
205.05049	2.6
209.11768	100.0
210.12105	5.8
223.06017	1.4
227.12849	25.0
228.12950	1.4
235.08174	2.7
253.09250	5.4
330.46219	1.4
331.06570	1.5
355.24982	2.3
371.24362	5.0
373.25992	11.2
385.18668	1.5
445.20584	9.6
446.21063	1.8
446.66464	1.3
498.39789	1.5
535.30829	7.0
637.31238	2.2
637.90942	1.4
657.18890	1.4
676.47394	1.5
741.34821	26.2
742.35565	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	741.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58841	0.5
57.03311	2.5
58.00453	0.6
58.96915	0.5
59.01247	7.6
61.98710	2.5
69.03342	1.3
69.74519	0.8
69.74938	2.0
71.01260	6.8
73.02811	1.1
73.94442	0.5
78.95786	0.9
81.03338	0.6
83.01275	1.2
83.04904	2.4
85.02827	2.0
87.00747	2.0
88.98692	1.0
89.02321	4.9
93.30974	0.5
95.01274	0.8
95.04890	0.8
97.02834	1.4
97.06465	5.0
101.02329	5.9
110.49684	0.5
111.08020	2.8
113.02339	3.1
119.03383	1.2
125.02374	0.8
125.05957	0.5
125.09629	0.7
131.03415	0.7
133.04948	0.9
133.10112	0.6
143.03473	0.5
149.09671	0.5
151.11194	18.2
152.11476	0.8
161.04454	1.3
163.11177	1.3
165.12720	1.8
169.12257	92.9
170.12564	4.6
171.10193	1.9
179.14264	0.6
185.11646	0.7
195.10170	1.8
195.13844	1.1
195.15694	0.5
195.91930	0.5
197.11754	15.4
198.12094	1.1
199.13440	1.0
209.11769	15.9
210.12106	2.1
211.03873	0.7
211.13353	2.8
213.11276	13.5
214.11531	0.9
223.13269	0.5
227.12810	3.8
228.13185	1.0
235.08176	2.1
247.20613	1.0
253.09325	5.9
263.20108	0.7
271.02240	0.5
277.21884	1.1
291.19650	4.8
292.19962	0.6
293.21191	1.9
294.21579	1.5
295.19556	0.6
295.22775	4.4
309.20706	8.1
311.22034	0.8
327.21872	1.0
362.77374	0.6
391.01660	0.6
391.49902	0.5
431.19235	3.6
449.20248	7.7
450.20282	0.6
626.94904	0.6
631.81207	0.6
643.32233	0.6
741.40668	100.0
742.40991	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	741.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82036	1.1
59.01249	10.6
71.01257	8.4
71.49942	1.6
75.00737	3.0
87.00763	1.7
89.02308	10.3
91.88457	1.1
93.03320	1.3
93.38531	1.1
95.01278	1.5
96.95903	1.0
97.18421	1.1
101.02326	3.5
109.02853	3.0
113.02323	4.1
119.03402	4.5
119.04919	1.9
125.02335	4.3
130.04126	1.2
131.04906	4.4
135.02904	4.1
135.04453	1.5
138.01816	1.1
143.03413	1.8
145.02866	2.1
147.04414	4.9
149.02219	1.0
155.71980	1.2
161.02344	2.9
163.03925	1.2
169.01245	1.1
173.02328	1.8
174.03151	9.8
175.03925	100.0
176.04301	3.6
177.01825	2.3
179.05573	6.5
180.07204	1.1
191.05536	1.3
206.08098	1.3
207.08476	1.9
268.25555	1.1
275.57166	1.0
289.07162	2.4
300.99774	2.5
355.10406	3.6
505.11115	1.3
517.56207	1.4
571.10858	1.4
741.18115	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	740.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64400	0.1
59.01251	1.1
61.28675	0.1
61.98700	100.0
65.76695	0.1
69.28257	0.3
69.28665	1.0
71.01237	0.2
71.16921	0.1
72.37241	0.1
73.97034	0.1
81.03323	0.3
82.61272	0.1
83.04887	0.7
84.05251	0.2
85.02821	0.2
96.95878	0.1
109.02858	0.2
109.29481	0.1
113.06642	0.1
115.00241	0.1
122.10742	0.1
125.02348	0.3
135.04398	0.2
145.57147	0.1
150.57004	0.2
156.83469	0.1
159.43303	0.1
161.02426	0.2
164.93633	0.2
177.01958	0.2
177.05458	0.2
190.46747	0.1
191.05547	0.2
218.05273	0.1
225.16039	0.4
226.16341	0.2
227.70354	0.2
285.07840	0.2
289.07233	0.2
344.51697	0.1
400.84506	0.1
453.33118	0.2
625.15869	0.4
677.49817	0.2
678.50317	0.7
679.50238	2.0
680.50568	3.9
681.51263	0.2
740.49243	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	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.9
61.98701	100.0
62.68005	0.1
63.89597	0.1
65.82600	0.1
70.98965	0.3
71.01244	0.7
72.54413	0.1
73.02827	0.2
78.95786	0.1
80.02557	0.1
81.03333	0.1
81.41463	0.1
83.04906	0.4
85.02851	0.2
87.00772	0.1
89.02318	0.4
93.23528	0.1
100.90739	0.1
101.02321	0.7
101.93473	0.1
111.08069	0.2
113.02346	0.4
131.03441	0.1
133.11578	0.1
161.04460	0.2
163.11206	0.5
165.12811	0.2
181.12225	0.1
183.13837	0.2
195.13809	1.1
197.11731	0.7
198.12225	0.1
199.13301	0.7
200.13756	0.1
201.08673	0.1
207.10304	0.1
209.11766	9.9
210.12164	0.6
211.13345	2.6
211.15190	0.2
212.13644	0.9
223.13443	0.3
224.13841	0.2
225.11415	0.1
227.12852	2.5
228.13101	0.6
235.08278	0.4
253.09247	2.0
254.09560	0.1
275.20105	0.2
277.21695	1.1
279.23392	0.3
280.23813	0.3
281.23911	0.2
291.19736	0.2
293.21191	2.2
294.21515	1.2
295.22763	6.8
309.20746	0.7
310.21017	0.4
398.13580	0.1
399.13898	0.3
407.93512	0.1
417.15796	0.2
445.21191	0.2
463.21875	0.2
487.34439	0.1
647.49298	0.1
654.87152	0.2
740.43329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.3
57.03318	4.7
58.00476	2.0
59.01245	29.2
60.01572	0.4
61.98698	2.0
65.93319	0.3
67.01748	0.3
68.99695	0.3
69.03323	1.2
69.21101	0.3
71.01250	54.1
71.49966	0.4
71.50316	0.5
72.01587	0.7
72.99179	3.5
73.02816	14.6
74.58264	0.3
75.00732	0.7
78.95779	1.2
81.03353	0.4
81.47665	0.3
83.01250	10.3
85.02819	32.3
85.99977	0.5
86.03140	0.7
87.00745	3.1
87.04357	0.6
89.02312	6.7
93.24934	0.3
95.01252	1.0
97.02840	1.4
99.00752	6.9
101.02318	27.9
102.02738	0.4
113.02322	10.4
119.03394	2.0
125.02324	1.9
125.09664	0.3
131.03389	100.0
132.03740	2.6
143.03381	1.1
152.99599	0.4
161.04434	1.3
163.11157	0.4
169.12198	0.5
171.10167	6.8
172.10532	0.4
179.05498	1.1
183.13852	0.6
185.61821	0.4
189.86560	0.3
195.13786	0.4
197.11684	0.9
199.13295	1.0
201.11276	1.0
207.10191	1.5
209.11734	3.3
210.12151	1.0
211.13335	3.5
212.13678	0.4
215.39912	0.4
221.06779	0.4
223.13277	0.3
225.11276	3.7
226.11546	0.5
227.12840	2.5
235.08186	3.6
253.09244	2.8
267.06699	0.4
277.21729	12.1
278.22009	1.3
281.24838	17.6
282.25235	2.3
287.07727	0.8
291.19641	1.7
292.11734	0.4
293.21170	3.9
294.21616	0.7
295.22476	0.4
298.33008	0.4
299.59909	0.4
305.08795	1.6
309.20752	1.2
323.09930	0.4
397.13446	21.1
398.13702	2.5
415.14517	7.3
416.14542	0.8
445.19464	0.4
517.38647	0.5
547.74567	0.5
607.42102	18.4
608.42395	3.9
616.74359	0.4
649.43152	1.3
650.43958	0.4
651.41150	7.7
652.41705	2.3
679.39075	0.6
721.41876	0.5
739.46362	38.1
740.46582	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02461	0.2
55.01760	0.2
57.03305	0.2
58.00442	0.2
59.01249	3.6
61.98693	1.5
66.91726	0.2
71.00318	0.4
71.01254	2.8
71.04897	0.2
73.02802	0.5
76.32867	0.2
79.47717	0.2
80.02533	1.1
81.03323	0.9
83.01243	0.2
83.04897	4.7
84.02029	0.8
85.02822	0.8
87.00735	0.3
87.91522	0.2
89.02313	1.9
95.04908	0.6
97.06460	0.2
101.02318	3.0
109.06505	0.3
111.08022	0.4
113.02314	1.4
113.09582	0.2
119.03372	0.6
121.10050	0.2
125.05986	0.5
135.08047	0.3
143.03394	0.3
145.04907	0.4
159.35326	0.2
161.04468	1.2
162.11382	0.2
163.11200	3.1
165.12791	2.0
167.10596	0.2
167.78273	0.2
169.12202	0.2
171.10101	0.5
179.05501	0.4
179.14305	0.4
181.12231	0.7
191.10757	1.0
192.03928	0.2
195.13820	4.4
196.14546	0.4
199.13368	0.2
205.12161	0.5
209.11763	100.0
210.12115	6.0
211.13321	0.9
223.13307	3.0
224.13676	0.3
227.12836	11.6
228.13232	0.8
231.21063	0.3
231.27013	0.2
235.08206	2.0
253.09256	13.6
254.09694	0.5
256.13220	0.7
265.21664	0.4
275.20145	4.5
276.20538	0.2
293.21210	58.7
293.63107	0.2
294.21539	5.6
350.92551	0.3
445.20502	1.2
485.32574	0.4
492.22192	0.2
579.64850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01246	4.9
62.89466	0.3
69.03332	0.4
71.01247	3.1
73.02816	0.7
80.02544	0.8
81.03368	0.7
83.01258	0.6
83.04889	4.5
84.02067	0.4
85.02840	0.9
87.00745	1.0
89.02305	2.4
95.04942	0.4
98.19816	1.0
99.00712	0.3
99.12706	0.3
101.02309	3.0
111.08002	0.4
113.02322	1.7
118.47975	0.3
119.03409	0.7
125.05994	0.7
135.08081	0.4
160.11371	0.3
161.04500	1.5
163.11197	3.0
164.11624	0.4
165.12762	2.2
172.79356	0.3
179.05507	1.0
179.14417	0.5
181.12277	0.9
191.10689	1.0
195.13840	8.2
196.14523	0.5
205.12253	0.5
205.15872	0.5
209.11765	100.0
210.12094	5.8
211.13342	0.6
223.13332	5.6
224.13802	0.3
227.12831	11.4
228.13396	1.5
235.08191	2.3
253.09259	16.6
254.09554	1.0
256.13141	0.9
265.21579	0.4
275.20151	6.2
276.20493	0.6
293.21213	88.6
294.21527	7.7
445.20621	0.8
485.32504	0.4
492.22067	0.4
529.30231	0.7
662.20618	0.4
670.35712	0.4
700.77179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11010	2.6
59.01248	26.8
61.98705	15.4
71.01250	35.0
72.99190	6.7
73.02817	8.1
75.00743	4.3
78.18844	2.9
78.95773	32.1
83.04848	3.9
85.02824	5.3
87.00746	5.5
89.02299	9.8
91.86713	2.8
95.04885	3.5
96.96828	4.3
97.02811	4.5
97.06496	3.1
99.00747	23.6
101.02322	14.5
113.02306	12.0
119.03368	6.4
122.49503	2.9
125.02300	5.8
125.09589	7.4
130.99741	6.5
131.03494	3.3
134.49525	2.5
152.99513	17.5
161.04468	3.8
163.11224	8.1
171.10152	29.3
179.05569	3.0
181.12239	15.6
183.13809	2.7
185.11716	5.2
195.13838	7.6
197.11661	3.9
199.13300	19.3
201.11201	11.6
207.10168	34.2
209.11827	17.9
211.13377	31.7
223.13303	16.1
224.13649	10.6
225.11311	67.5
225.13657	6.5
227.12814	26.1
229.45992	3.6
232.09624	2.9
235.08041	9.6
243.12280	22.2
253.09215	13.4
271.12457	2.7
277.21695	73.0
278.22055	5.3
281.24811	17.8
282.25140	3.0
291.19629	17.8
293.21219	45.1
294.21649	13.8
295.21927	8.9
296.22397	3.4
309.20627	7.6
397.13388	20.3
415.14639	9.1
429.20486	6.8
445.20251	6.5
461.20038	8.0
463.21402	2.9
479.21481	8.2
636.89093	3.2
657.33783	3.1
721.41412	4.7
739.42505	100.0
740.42712	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	739.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.0
61.98698	7.5
62.96270	0.7
69.03306	0.5
71.01259	3.0
78.95771	100.0
80.02482	0.5
85.02818	0.6
86.74873	0.5
95.04915	0.5
96.96843	7.5
99.78242	0.4
101.02340	0.9
109.06470	0.7
111.08051	4.1
113.02384	0.6
121.93336	0.5
123.76101	0.6
125.09607	0.5
134.98378	2.4
150.97942	1.2
152.99480	54.3
153.99800	0.8
163.11188	0.9
169.12233	1.7
171.00491	1.1
171.10158	2.1
179.14259	0.8
181.12239	1.0
183.03908	0.5
185.11797	0.6
195.13808	5.2
196.14577	0.6
197.09998	1.1
197.11761	18.2
197.13567	0.9
198.12108	0.9
199.13300	1.7
201.11238	1.4
207.10210	1.4
209.11751	9.2
210.12062	0.6
211.13252	1.8
223.13345	3.2
225.11191	2.1
227.12781	1.2
229.29355	0.6
235.08015	0.6
253.09213	1.6
275.20108	2.1
277.21652	3.5
291.19559	3.0
293.21210	26.4
294.21399	1.9
295.22678	1.2
309.20737	7.4
310.20905	0.7
429.20435	20.1
430.20670	2.0
439.44058	0.5
445.19955	22.2
446.20209	2.2
447.21518	5.3
448.22284	0.7
463.21158	5.2
464.21475	0.7
609.79266	0.7
670.34235	0.5
721.41003	0.7
739.41821	46.1
740.42206	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	739.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
58.19187	0.6
58.57000	0.6
59.01252	7.9
61.98697	7.1
69.03313	1.4
71.01248	3.1
73.02821	1.0
78.95773	100.0
80.96381	0.9
83.04900	0.7
85.02828	1.0
87.00742	0.7
89.02284	1.3
92.32706	0.5
95.04927	0.6
96.96832	8.1
97.02814	1.9
97.06449	0.8
101.02304	1.6
109.06436	1.2
111.08022	3.2
113.02332	1.0
134.98431	1.5
143.90489	0.7
144.12134	0.6
150.97905	0.9
152.99483	51.0
153.99811	0.8
163.11212	1.2
165.01770	0.6
169.12250	1.5
171.00578	1.2
171.10182	6.0
179.10652	0.9
181.12239	1.1
195.13852	6.5
195.49544	0.6
197.11749	22.4
198.12100	4.7
199.13388	1.3
201.11292	1.8
204.54529	0.8
207.10106	3.1
209.11763	7.5
211.13388	2.9
223.13371	3.1
225.11221	4.3
227.12836	2.2
241.10503	0.7
247.20685	0.7
253.09219	2.7
258.83209	0.6
275.20114	2.3
277.21695	11.6
278.22000	3.1
279.22461	1.3
289.18094	2.9
291.19763	3.4
293.21213	23.7
293.24533	1.4
294.21469	2.4
295.22739	10.4
296.23117	0.9
309.20630	6.9
327.21793	1.6
429.20441	15.2
430.20776	1.9
431.21851	2.7
432.46591	0.6
443.18353	2.4
445.19931	22.5
446.20221	2.8
447.21649	5.3
448.21521	0.8
461.19797	1.3
463.20990	6.8
471.94971	0.7
721.19464	0.7
721.40167	1.0
739.41882	71.7
740.42261	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	739.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73230	0.4
52.87353	0.4
53.58715	0.4
55.01753	4.5
55.32923	0.4
57.03317	5.8
57.52002	0.4
57.61374	0.5
58.00457	2.0
59.01246	33.4
59.39611	0.4
61.49656	0.4
61.98701	2.6
68.99712	0.6
69.03322	1.6
69.16613	0.4
69.28049	0.4
71.01249	56.9
72.01555	0.7
72.99169	3.4
73.02396	0.8
73.02813	14.3
73.18729	0.5
75.00739	0.6
78.95774	2.3
82.47788	0.4
83.01256	10.1
83.01726	0.9
83.04875	0.5
84.02074	0.5
85.02819	36.4
85.99982	0.5
86.03154	0.6
87.00755	2.7
87.04380	0.5
89.02312	9.2
95.01256	0.9
97.02821	1.7
98.19816	1.6
99.00748	6.7
99.93787	0.4
101.02319	28.6
109.06459	1.0
111.00751	0.5
113.02322	11.3
119.03388	2.0
125.02337	3.1
131.03389	100.0
132.03699	2.6
139.03899	0.5
143.03365	1.2
152.99506	1.4
154.71083	0.5
161.04491	1.7
163.11145	0.9
171.10162	4.9
179.05511	1.5
183.13855	0.8
197.11775	1.4
199.13310	1.3
201.11299	1.8
207.10172	2.5
208.10522	0.6
209.11778	6.2
210.12129	1.5
211.13455	3.4
221.06754	0.6
225.05553	0.6
225.11235	3.6
227.12843	2.9
229.83099	0.8
235.08160	4.1
253.09341	3.5
277.21710	8.7
278.22021	1.1
281.24841	23.1
282.25128	2.6
287.07690	1.1
291.19687	1.4
292.20059	0.5
293.21201	6.7
294.21170	0.9
295.22696	1.4
295.26285	0.5
305.08981	1.2
309.20709	1.2
310.21005	0.5
397.13464	31.7
398.13770	2.4
413.89502	0.5
415.14578	10.2
416.14703	0.6
443.19391	0.7
444.18527	0.5
492.82837	0.6
570.46710	0.5
607.42151	18.4
608.42554	3.2
649.43103	1.4
651.41168	7.4
652.41791	1.3
679.39246	0.6
739.46381	40.9
740.46844	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	739.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71391	0.2
59.01248	2.1
60.99176	16.4
61.98701	3.6
66.19600	0.2
71.01260	1.2
72.99190	0.5
76.37419	0.2
78.23083	0.2
79.95609	0.3
80.96386	0.8
85.02829	0.7
87.00764	2.5
88.00283	2.3
88.01089	0.5
88.98676	100.0
89.02314	20.6
89.99012	1.2
90.02653	0.4
90.54066	0.2
96.95882	0.4
101.02335	0.7
102.05095	0.2
111.04382	0.2
113.02311	0.3
127.81466	0.2
135.04436	0.3
137.02254	0.3
141.19551	0.2
149.06044	1.2
161.02428	0.4
163.03984	0.4
175.03888	0.4
176.91846	0.3
189.01801	0.3
191.05508	3.4
201.01817	0.4
205.04987	0.3
209.11739	0.6
209.52788	0.4
215.04193	0.7
215.54321	0.2
224.04723	5.0
224.54829	1.1
225.00690	0.4
226.39510	0.2
245.05292	0.6
246.04185	0.6
276.29044	0.2
279.44336	0.2
300.99841	0.4
316.69769	0.3
324.06454	0.7
332.55972	0.3
333.06897	3.3
333.57095	0.9
355.10544	0.5
371.24329	0.3
377.06467	0.3
414.09308	2.2
414.59973	0.7
431.09341	0.7
433.07077	0.5
444.20544	0.3
449.09961	0.3
451.80463	0.3
475.07965	0.7
487.34464	0.5
501.32779	0.3
517.31183	0.3
518.32520	0.5
549.81055	0.2
631.48254	0.3
739.32227	1.5
740.33899	0.4
746.63611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37196	0.2
59.01257	2.5
60.99174	16.1
61.98701	9.7
71.01249	1.5
72.99165	0.7
73.02816	0.4
75.00718	0.3
78.95774	5.1
80.96385	1.0
85.02827	0.6
87.00753	2.4
88.00264	2.3
88.01117	0.3
88.98675	100.0
89.02311	25.0
89.99015	0.8
90.01842	0.3
90.02619	0.4
93.03330	0.4
94.97977	0.3
96.95878	0.6
96.96839	0.4
98.20572	0.6
101.02315	0.4
109.02761	0.2
113.02312	0.4
119.61163	0.2
121.02776	0.3
125.02321	0.4
137.02332	0.4
141.51440	0.3
143.50879	0.3
147.92978	0.2
149.02422	0.7
152.01028	0.2
152.99519	0.7
161.02388	0.5
164.04659	0.5
165.01901	0.4
167.03371	0.3
171.00525	1.1
173.04471	0.5
174.03159	0.3
175.00320	0.6
175.03900	0.3
190.02625	1.9
191.03375	0.6
195.06516	0.3
205.04996	1.2
222.03113	0.3
224.04724	0.6
225.00687	0.4
227.12573	0.3
250.02774	0.3
271.09821	0.3
278.02185	0.3
294.31619	0.2
300.99646	0.2
324.02795	1.7
325.03445	2.1
333.06900	0.5
341.23462	0.3
353.23257	0.6
371.24368	2.7
414.09503	0.6
487.34100	0.6
517.31647	0.3
518.32379	0.5
533.29602	3.3
534.30414	0.4
578.30908	0.6
680.34753	0.4
739.35718	3.2
740.36603	2.8
749.33954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66561	0.3
57.03327	1.2
59.01249	5.3
60.77629	0.3
61.83533	0.3
61.98695	2.7
69.03328	0.5
70.03062	0.3
71.01245	6.1
71.04883	0.6
71.51260	0.5
72.99217	0.6
73.02842	1.0
78.95801	0.7
80.02556	1.4
81.03346	1.4
82.95284	0.6
83.01261	0.9
83.04893	4.7
84.02036	0.5
84.05225	0.5
85.02844	1.3
87.00768	1.1
88.98691	0.5
89.02319	3.2
95.01279	0.6
95.04922	1.5
96.95927	0.4
97.02837	0.8
97.06467	2.3
99.00776	0.7
101.02314	4.6
109.06464	2.5
111.04372	0.7
111.08049	1.3
113.02335	2.4
119.03397	0.9
123.04419	0.6
125.02365	1.1
125.06011	0.5
125.09628	0.4
127.07595	0.6
135.08098	0.7
143.03412	0.8
145.05000	0.4
151.03909	0.4
151.11195	5.2
156.63388	0.4
161.02420	0.5
161.04486	1.9
163.11211	3.5
165.12807	2.1
169.12265	20.3
170.12605	1.2
171.10229	1.0
173.40199	0.4
177.12758	0.5
179.05556	0.7
179.10722	0.5
181.12241	1.3
191.10698	0.7
195.10202	0.8
195.13835	3.3
196.14542	0.5
197.11739	4.2
198.12099	2.1
199.12260	0.8
205.99733	0.4
207.10144	0.6
209.11772	100.0
210.12097	14.1
211.12370	2.4
211.13210	1.8
212.13588	0.4
213.11293	3.4
223.13248	2.1
225.11288	0.7
226.11665	0.4
227.10779	0.7
227.12856	10.3
228.13254	0.6
235.08171	3.1
236.08652	0.6
245.19008	0.6
253.09251	12.1
254.09605	1.3
255.09717	0.8
256.13031	0.5
271.16953	0.5
275.20203	2.9
289.18069	10.2
290.18341	0.8
291.19614	3.8
292.19904	2.3
293.21207	36.9
294.21609	3.5
300.99774	0.6
305.45715	0.4
307.19031	1.1
309.20670	6.0
310.21036	5.0
311.21219	2.6
321.92542	0.4
331.23267	0.4
431.19424	0.7
445.20688	1.1
449.20108	2.0
468.52475	0.5
485.32321	0.5
503.33539	1.4
525.27136	0.4
529.29590	0.9
536.75671	0.4
631.96289	0.4
721.38269	1.5
739.39154	25.9
740.39471	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	739.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
59.01237	2.3
60.99170	1.4
61.98685	2.5
65.03836	0.8
69.31835	7.8
71.01241	2.0
75.00736	1.0
81.03320	2.1
83.01262	5.0
87.00748	0.9
88.98676	6.9
89.02312	1.5
89.03826	2.7
93.03323	3.6
94.15900	0.8
95.01268	1.4
95.04914	2.1
96.95884	3.7
97.02837	3.7
101.02342	1.0
105.03358	1.6
105.44206	0.8
108.02059	1.9
109.02834	25.2
111.00819	1.1
115.00248	0.9
117.03381	1.1
119.04887	1.9
121.02830	5.0
122.03606	1.7
123.00735	1.5
123.04402	11.5
125.01450	1.5
125.02329	19.8
133.02855	12.5
135.02853	1.9
135.04419	4.3
137.01270	1.2
137.02339	23.4
139.03888	1.8
145.02824	1.6
147.04469	1.3
149.02325	6.3
150.03136	4.0
151.03922	10.3
153.01811	1.2
159.04425	3.2
160.01596	1.1
160.05168	0.9
161.02348	26.3
161.05988	3.8
161.09715	0.9
162.03065	2.1
163.00272	1.6
163.03877	2.2
164.01027	2.6
165.01889	4.4
166.02371	0.9
167.03378	2.8
169.01299	2.5
173.02365	1.0
173.04462	1.5
173.05888	0.9
174.03085	1.2
175.03894	5.1
175.07500	1.2
176.00995	1.8
177.01846	100.0
178.02251	4.4
179.03378	4.9
185.06020	1.2
187.03891	3.6
188.04681	1.7
189.01860	8.9
190.02483	0.8
191.05560	4.1
199.03969	1.2
201.01804	1.1
201.05524	1.1
203.03426	4.9
203.07040	8.0
205.01357	2.4
205.04973	5.5
212.04779	1.1
215.03403	2.4
215.07083	1.0
216.00560	3.5
217.01395	4.2
219.27588	1.0
221.08049	1.7
225.05295	1.0
227.03506	6.3
227.07069	1.8
229.01419	5.1
229.04930	1.7
237.05714	1.0
239.03378	2.8
241.04993	1.3
243.06509	0.9
245.04485	2.9
245.08101	9.3
247.06190	1.0
253.04938	1.6
255.02933	1.7
255.06378	1.1
257.04706	1.2
265.05069	1.0
269.04425	1.4
271.02417	1.0
271.06033	2.0
275.02325	1.1
275.05289	0.8
279.03082	1.2
280.03815	1.0
281.04459	3.1
283.06042	1.3
287.05591	9.8
289.07169	55.8
290.07593	3.4
293.04660	1.5
295.02423	1.3
295.06247	0.8
297.03909	1.7
299.05536	2.7
300.99802	1.9
307.02481	2.0
308.03210	1.1
315.08655	1.4
321.04132	6.0
322.04703	1.1
325.03369	2.0
337.07114	1.9
339.05051	32.3
340.05362	2.9
341.06586	1.2
341.59320	0.9
407.07684	2.1
409.09155	1.4
417.06238	4.7
418.06616	1.0
433.09274	1.2
435.07086	12.5
436.07321	1.6
449.02963	1.6
449.08783	17.2
450.08905	2.0
451.10300	9.6
452.10553	1.8
459.07220	7.9
460.07010	1.0
477.08130	1.8
565.16089	1.1
569.10803	9.3
570.11841	1.4
585.14307	1.4
587.11871	21.6
588.12268	3.7
611.11462	1.5
629.12756	1.9
678.49945	2.7
739.16504	15.6
740.17090	3.1
754.51752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33888	1.0
55.37793	0.9
57.03316	3.2
59.01235	1.6
62.18560	1.0
62.25616	0.8
66.04337	0.8
69.31732	5.0
69.32163	3.4
81.03302	2.3
83.01258	4.9
89.03840	4.3
93.03304	2.8
95.01301	1.0
95.04873	1.9
97.02831	3.7
98.19833	2.2
101.21478	0.8
105.03365	1.0
108.02072	1.1
109.02834	27.7
117.03323	1.1
121.02840	4.0
123.04417	12.8
125.02335	15.2
129.06985	0.9
133.02855	16.9
135.02881	1.7
135.04401	3.8
137.02336	21.7
138.02597	0.8
139.03891	2.9
145.02841	1.3
147.04495	1.0
149.02351	4.9
150.03119	1.4
151.03899	10.7
159.04424	4.3
161.02336	28.9
161.06000	2.7
162.03107	2.0
163.00174	1.6
163.03941	1.2
164.01021	3.1
165.01828	3.1
167.03407	1.3
174.03160	1.6
175.03949	2.8
175.07564	2.1
176.00970	2.1
177.01849	100.0
178.02180	4.3
179.03407	3.5
187.03880	3.4
188.04732	2.3
189.01830	8.1
190.02521	1.1
191.03412	1.3
201.01865	1.4
201.05453	2.3
202.06305	1.9
203.03500	4.6
203.07083	8.7
205.01369	1.5
205.04955	6.0
211.03928	1.2
212.04712	1.1
215.03452	2.4
216.00558	3.8
217.01364	5.5
221.08228	1.8
227.03398	5.8
228.03955	1.0
229.01357	4.5
229.05040	1.3
231.02977	1.9
239.03403	2.2
245.04428	2.9
245.08188	10.0
247.06136	1.4
249.05597	1.6
255.02972	3.1
255.06581	1.5
257.04321	1.2
269.04370	1.6
271.06100	1.0
279.02963	1.5
281.04541	2.1
282.05212	1.0
287.05597	10.0
289.07175	52.8
290.07535	3.7
293.04568	1.4
295.02542	1.3
295.05832	1.1
297.04019	1.5
299.05591	3.0
300.99881	1.6
305.04440	1.0
307.02692	1.3
308.03159	1.7
321.03864	4.4
325.03561	3.5
339.05099	25.6
340.05493	2.8
341.06705	2.9
407.07639	4.4
409.09326	1.6
417.05954	5.1
433.09387	2.0
435.07254	12.4
449.08752	15.7
450.08939	2.2
451.10236	11.0
459.06995	7.9
477.08054	2.0
505.11328	1.0
569.10895	8.6
587.11951	22.4
588.12354	3.6
629.13062	3.8
739.16821	14.8
740.16840	4.6
742.46002	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75753	0.1
57.34579	0.1
59.01234	0.4
61.98701	100.0
62.98401	0.2
66.06672	0.1
69.25001	0.3
69.25402	0.2
71.01264	0.4
78.95770	0.2
87.00755	0.1
89.02315	0.2
95.04903	0.1
97.06485	0.1
101.02314	0.3
109.06481	0.2
111.04363	0.1
113.02332	0.2
114.72004	0.1
151.11186	0.1
152.99449	0.1
153.12775	0.1
161.04489	0.1
163.11174	0.2
165.12778	0.1
169.12236	0.1
195.13861	0.2
197.11823	0.1
199.13353	0.1
207.10222	0.5
208.10625	0.2
209.11761	1.7
210.12082	0.3
211.13376	0.2
212.13612	0.1
223.13190	0.1
225.11240	0.5
226.11638	0.2
227.12840	1.0
227.14903	0.1
235.08160	0.2
253.09247	0.5
254.09697	0.1
275.20258	0.1
277.21869	0.2
278.22134	0.3
279.22345	0.1
289.17990	0.1
291.19644	0.3
292.19974	0.2
293.21201	1.6
294.21680	0.3
295.22833	0.1
333.99908	0.1
397.13483	0.1
398.13889	0.2
399.14093	0.2
400.14163	0.2
417.15118	0.1
418.15381	0.1
461.20071	0.1
462.20712	0.1
475.38174	0.1
607.42139	0.1
738.41309	0.3
739.42499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35809	0.2
58.35221	0.1
59.01249	14.1
61.98693	0.2
69.15797	0.9
69.16228	0.8
77.48254	0.2
80.04919	0.2
81.03328	4.3
83.04894	13.1
84.05216	0.3
96.95867	0.2
108.04435	0.3
125.07091	1.0
126.05542	0.3
140.12772	0.2
143.08148	0.2
207.14935	0.9
224.17621	2.1
225.16045	11.2
226.16362	0.7
242.18617	0.5
268.16669	0.3
290.22284	0.3
291.20569	0.2
294.79514	0.2
300.99738	0.2
309.21780	0.6
324.26553	0.4
333.22946	0.5
341.29172	0.8
367.27136	1.1
385.28018	0.2
387.04169	0.2
423.15402	0.2
428.56445	0.2
433.31824	1.0
450.34439	1.1
451.32916	6.4
452.33380	0.8
468.35718	0.2
535.38330	0.2
550.43414	1.0
559.39648	0.3
593.43878	0.6
659.48267	1.5
660.49158	0.4
677.49652	100.0
678.49988	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	737.447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29733	0.3
57.03315	0.8
57.09396	0.4
59.01245	6.5
61.98697	6.2
69.03317	1.5
69.99213	0.7
69.99600	1.3
71.01251	4.2
71.04860	0.7
72.99183	0.4
73.02820	0.8
78.95772	2.1
80.96372	1.0
83.04883	0.7
85.02823	1.4
85.06493	0.5
87.00734	0.5
89.02299	2.5
95.01260	0.4
95.04905	0.5
97.02845	0.5
97.06419	0.4
99.00792	0.5
101.02312	3.6
109.06477	1.5
113.02306	2.2
113.09609	1.4
119.03375	0.7
123.08057	0.5
125.09588	0.7
143.03423	0.5
149.09587	0.5
152.99464	1.0
161.04466	1.6
161.13223	0.5
163.11176	0.5
166.19470	0.4
167.10683	2.6
171.10237	0.4
177.12686	0.8
179.05540	0.5
179.10645	1.3
179.14330	3.3
180.14685	0.6
181.12283	0.5
195.13823	21.7
196.14207	1.5
197.11714	1.4
205.12286	8.2
206.12630	0.5
207.10091	2.2
209.11777	1.4
223.13332	89.0
224.13672	5.9
225.11206	1.5
233.22716	0.4
235.08186	3.6
253.09244	17.7
254.09558	0.7
277.21701	15.0
278.22229	1.1
280.66614	0.4
291.19586	0.8
293.21277	4.0
294.21637	0.5
295.22751	100.0
296.23090	9.3
336.80170	0.4
419.15433	0.4
429.20264	0.5
434.17291	0.4
441.21213	0.6
457.12268	0.4
459.22314	9.5
460.22705	0.9
501.35931	2.0
502.36188	0.4
531.31506	1.2
737.40723	5.1
738.41620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40859	0.4
57.03320	1.9
58.00448	0.4
59.01248	11.9
61.98691	2.3
70.10524	1.1
70.10920	1.0
71.01252	8.2
71.04891	0.9
72.99202	0.6
73.02827	2.2
78.95761	0.4
80.02554	1.2
81.03326	2.9
83.01252	1.4
83.04888	5.7
84.02039	0.8
85.02824	3.2
87.00758	1.3
89.02321	4.7
93.03360	0.6
95.01263	0.8
95.04914	2.0
96.95937	0.6
97.02823	3.6
97.06474	0.9
98.20502	0.6
99.00762	1.1
101.02329	6.8
106.04131	0.6
107.04902	0.5
109.06474	13.9
110.03610	1.0
110.06843	0.5
111.08037	10.2
113.02321	3.4
113.09621	0.6
119.03382	1.1
121.06484	1.1
121.10117	0.5
123.04419	1.1
123.07996	0.6
125.09635	0.6
130.18950	0.5
131.03397	0.8
135.08038	2.8
136.05223	0.7
137.09624	0.8
139.11159	0.6
141.09082	0.5
142.02612	1.2
143.03400	0.8
145.04929	0.9
149.09605	0.5
161.04459	2.3
161.09576	0.8
163.11209	12.1
164.11548	0.7
165.12733	2.7
167.10675	1.8
171.10172	1.8
177.09224	0.5
177.12752	1.9
179.05479	1.0
179.10674	2.3
179.14275	0.7
181.12289	3.0
189.09113	1.0
191.10687	1.7
193.15829	0.5
195.13826	10.3
196.14299	0.9
197.11748	1.6
205.12086	0.7
207.10201	45.7
208.10536	2.2
209.11763	90.6
210.12100	6.0
211.13344	1.4
223.13350	4.3
225.11273	21.2
226.11592	1.2
227.12822	14.1
228.13217	1.1
235.08148	5.2
242.94350	0.4
247.20715	2.1
253.09256	19.6
254.09583	1.5
256.13095	0.8
273.18579	1.4
275.20139	3.9
289.18204	0.7
291.19653	100.0
292.19995	9.4
293.21213	52.6
294.21579	4.8
295.19214	0.5
299.15219	0.7
309.20728	2.7
329.21375	0.7
410.79639	0.5
443.19406	2.6
445.20660	1.1
445.85178	0.4
461.20300	5.9
462.19708	0.5
483.31046	1.1
501.32419	0.8
509.27615	0.7
527.28607	6.8
528.28857	1.0
633.67249	0.5
719.40607	2.0
737.41028	19.5
738.31958	0.4
738.41760	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
55.73616	0.5
57.03325	0.9
58.00430	0.5
58.50585	0.4
58.97048	0.4
59.01248	13.1
59.51050	0.4
61.98697	1.4
69.03337	0.7
69.38301	1.7
69.38726	2.1
71.01250	6.2
72.99185	1.0
73.02830	1.3
80.02541	1.0
81.03335	2.1
83.01263	1.2
83.04888	2.8
85.02817	2.9
87.00759	1.9
88.98666	0.7
89.02303	4.3
93.03332	1.0
95.01275	0.5
95.04906	1.2
97.02818	5.7
97.06462	0.6
99.00759	1.8
101.02312	7.2
107.04896	0.8
109.06470	30.1
110.03634	0.9
110.06781	1.0
111.00769	1.0
111.08039	1.3
113.02331	3.3
113.09645	0.5
119.03387	1.2
121.06471	2.0
123.04391	2.8
123.08005	0.5
125.09636	0.9
133.04994	0.6
135.08008	3.6
136.05202	1.3
137.05988	0.5
142.02605	1.6
143.03448	0.6
145.04950	0.7
161.04449	2.4
161.09641	2.2
163.11185	16.9
164.11571	0.8
165.09096	0.6
171.10156	0.5
179.05565	1.3
179.10565	0.7
179.14293	0.6
181.12291	3.6
189.09155	2.3
195.13828	10.6
197.11748	0.6
199.13200	0.6
205.12292	0.8
207.10196	91.5
208.10532	5.7
209.11748	11.7
210.11978	0.6
211.13350	1.9
223.13330	6.6
225.11266	34.8
226.11548	2.5
227.12856	1.8
228.13644	0.6
231.21097	1.0
235.08174	4.0
243.12312	0.9
253.09254	23.2
254.09567	0.9
256.13144	1.3
265.21674	0.6
275.20129	6.4
281.13760	1.0
291.19675	7.4
292.19952	0.8
293.21210	100.0
294.21542	9.8
299.15024	1.4
385.70798	0.5
439.32037	0.6
443.19263	4.8
444.19327	0.7
457.33234	0.9
461.20264	11.6
462.20413	1.4
483.31372	1.1
529.30127	0.8
654.43488	0.5
719.40076	1.7
737.41144	36.7
738.41565	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	737.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67395	1.1
52.34858	0.9
56.76390	1.0
57.03321	1.1
59.00962	1.2
59.01247	20.9
61.98692	4.6
63.34981	0.9
71.01232	4.3
71.04887	1.4
71.49391	1.4
77.20678	1.0
78.95773	100.0
80.96378	2.7
81.03332	1.6
83.04877	3.1
84.02859	0.9
85.02831	1.8
88.98663	1.9
89.02280	1.4
95.04888	1.2
96.95889	1.5
96.96836	6.0
97.02809	1.4
97.06460	7.1
99.00768	1.6
99.54666	0.9
101.02300	2.5
105.06504	0.9
107.81705	1.0
109.06466	7.5
111.04361	3.0
113.02290	2.8
123.04388	1.8
125.02316	1.6
134.98386	1.9
152.99489	47.5
163.11169	4.5
167.10640	1.5
171.00476	1.2
171.10156	2.6
179.10791	1.4
182.79495	0.9
189.33270	1.0
191.05486	2.2
193.12231	1.6
195.13820	8.9
207.10181	13.2
209.09909	1.6
209.11771	22.8
210.12091	3.3
211.13332	10.2
223.09624	1.5
223.13309	5.9
225.11282	8.1
227.12761	3.2
235.08026	1.7
245.19048	1.4
253.09241	5.7
275.20090	3.0
277.21896	5.4
277.24417	1.2
279.23264	2.1
289.18088	20.3
290.18488	2.2
291.16660	1.6
291.19644	13.1
292.19962	1.6
293.21216	43.7
294.21405	5.7
300.99780	1.6
307.19022	2.6
315.05011	5.8
327.21655	3.9
357.09601	1.1
383.07678	1.9
395.00677	3.5
429.20380	19.3
430.20694	2.6
443.18423	18.5
444.18842	2.3
447.21747	5.6
461.19885	4.8
549.84418	0.8
617.84650	1.0
633.91888	1.2
677.49481	6.3
678.49762	2.1
737.40320	55.7
738.40845	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	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.3
57.03317	2.0
58.77879	0.9
59.00962	2.1
59.01253	36.2
61.98694	4.5
62.83800	1.0
65.19283	0.9
66.10719	0.8
68.99686	1.0
69.03322	1.7
71.01252	29.8
71.31270	2.0
71.79955	0.9
72.99170	3.2
73.02831	4.7
75.00740	1.2
78.95793	1.7
80.02561	1.0
81.03307	1.7
83.01253	4.1
85.02837	6.9
87.00756	4.9
88.98689	1.6
89.02320	22.5
95.01262	2.5
95.04960	1.1
97.02811	6.8
99.00747	2.9
101.02325	22.0
107.68446	0.9
109.02813	1.7
109.06452	4.4
111.04407	1.7
113.02331	11.8
119.03413	7.9
121.02798	1.1
125.02330	11.1
125.09544	1.4
131.03387	2.0
141.01790	1.1
143.03375	4.4
143.85258	0.8
155.59773	0.9
161.04422	4.5
163.11188	1.7
167.10658	1.6
171.10194	1.6
179.05476	4.1
179.10687	1.3
181.12265	1.3
189.09157	0.9
195.13815	2.7
207.10201	15.4
209.11769	15.1
210.12180	1.7
211.13365	8.2
221.06473	1.3
223.09760	1.1
223.13358	2.9
225.11302	15.3
227.12619	1.4
235.08170	10.7
253.09247	8.7
263.07532	1.2
275.20096	1.4
279.23279	84.6
280.23712	7.4
287.07715	2.4
289.18097	3.4
290.18225	1.1
291.19635	12.3
292.19916	1.5
293.21231	18.0
294.21533	2.4
300.99780	1.1
305.08789	3.7
307.19116	2.0
309.20895	1.1
323.09973	1.6
360.91940	1.1
397.13495	100.0
398.13864	7.9
415.14536	31.1
416.14856	2.0
443.19339	1.7
461.20145	2.8
677.37805	2.3
737.40924	10.2
739.68512	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	737.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16252	0.2
59.01256	2.2
60.98857	0.4
60.99177	15.3
61.98703	34.9
62.17543	0.2
62.98397	0.3
63.99122	0.6
67.35425	0.3
71.01244	1.1
71.07922	0.2
72.99170	0.9
73.02818	0.5
75.00739	0.6
78.95786	0.7
80.96405	0.6
85.02823	0.6
87.00752	2.2
88.00273	2.5
88.98679	100.0
89.02316	17.4
89.99044	0.8
96.95883	1.0
99.04390	0.3
101.02331	1.0
108.02052	0.5
109.02804	0.3
113.02354	0.6
123.04371	0.3
125.02327	1.0
132.39900	0.3
133.02779	0.4
135.04521	0.4
136.99014	0.3
137.02257	0.3
149.05925	0.3
158.17548	0.2
159.04497	0.3
160.01654	0.3
161.02336	0.3
165.05560	0.3
169.01376	0.8
171.59380	0.3
174.03072	0.5
175.03944	1.2
177.01883	0.5
180.04204	0.3
189.01825	0.5
189.27606	0.3
191.05444	0.4
209.11774	0.9
217.01501	0.5
225.00804	0.3
241.08690	0.3
241.82417	0.3
243.02974	0.4
246.89867	0.3
255.02982	0.5
271.02484	1.1
299.01837	0.4
299.99228	0.5
300.02802	1.6
300.99915	3.6
301.03473	0.8
324.02917	0.3
325.03659	0.6
362.00635	0.3
369.22934	1.1
485.32532	0.3
531.27698	0.4
575.28674	1.0
627.78564	0.3
665.17133	0.3
737.30688	1.4
738.14758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
59.01251	10.3
61.98704	100.0
64.24081	1.4
66.02879	1.7
68.16830	1.6
71.01254	7.1
73.02824	2.8
75.00757	9.0
78.95782	4.2
79.95603	8.6
80.96392	15.9
81.03300	1.6
83.04935	3.0
85.02822	2.3
87.00756	1.8
88.98678	4.6
89.02337	4.0
94.97955	4.7
96.95893	5.4
101.02329	6.2
103.00273	10.7
103.03894	9.3
107.91703	1.6
113.02272	1.8
116.07013	1.9
123.04382	2.0
125.02342	5.4
134.97502	2.7
148.99120	1.8
151.03961	2.4
152.98499	2.3
163.11185	4.1
164.98584	2.3
167.81146	1.7
169.01341	2.6
171.10219	2.6
175.03918	5.8
197.11763	18.6
207.10091	1.9
209.11763	44.2
210.12117	3.9
211.13356	4.0
223.13345	15.3
225.00719	5.4
227.12856	6.0
235.08101	3.4
253.09264	6.0
291.19702	5.7
293.21329	2.1
300.99942	10.7
309.20755	11.2
347.97971	1.6
373.70483	1.8
380.30103	1.7
407.07169	2.1
459.22626	2.3
615.30963	1.9
642.78180	1.8
644.07111	1.9
665.28320	2.0
691.30347	4.1
737.34723	13.0
738.34155	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	737.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57985	0.4
59.01230	1.0
63.19090	0.4
63.96104	1.9
66.05310	0.5
69.03323	0.9
69.92305	1.4
69.92696	1.1
70.39650	0.5
71.01247	6.8
73.02809	1.8
78.98455	6.0
79.95603	11.0
80.96387	60.6
81.03333	0.9
85.02807	3.0
87.00740	2.5
94.97960	15.4
94.98573	0.8
95.01254	0.7
96.95867	0.7
97.02814	1.5
101.02312	1.9
106.97963	2.7
113.02322	0.6
122.97474	3.7
125.02339	3.1
127.03905	0.8
132.47267	0.5
134.97481	4.5
136.99019	2.1
148.99039	5.1
152.98531	6.3
164.98541	11.8
206.99617	2.9
209.11739	4.0
225.00702	23.2
226.00990	0.6
478.22302	0.5
509.09583	0.8
509.16727	4.5
545.69775	0.5
737.30530	100.0
738.30774	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	737.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01245	0.6
61.98706	2.0
69.03323	0.4
69.77853	0.2
70.52895	0.6
71.01250	0.7
72.99173	0.2
73.02820	0.4
75.00755	0.4
80.96381	0.2
81.03334	0.2
83.01286	0.3
85.02849	0.5
87.00751	3.3
88.98721	0.3
89.02332	0.3
93.03337	0.3
95.01249	0.6
96.95899	0.8
101.02324	0.5
101.03831	0.2
104.17391	0.2
107.01270	1.9
109.02872	0.5
113.02323	0.2
116.92733	0.2
117.03336	0.4
118.46246	0.2
119.03396	0.3
119.04938	0.6
121.02829	1.3
123.00781	1.3
123.04407	0.3
125.02333	6.0
126.02634	0.3
129.03366	0.5
133.02870	0.5
135.02878	0.4
135.04431	0.6
137.02319	0.6
138.25287	0.2
139.00328	0.2
139.03938	0.2
141.03380	0.3
145.02838	1.8
147.04420	0.9
149.02347	0.3
150.03055	0.3
151.03905	0.4
157.02846	1.3
159.04379	0.7
160.01591	0.3
161.02328	1.0
161.05980	0.2
163.03903	1.3
164.98303	0.2
165.01804	0.4
165.05415	0.5
168.99973	0.4
169.01346	4.6
173.02333	2.3
173.04529	0.3
174.03110	0.6
175.03928	1.9
177.01855	0.5
177.05489	0.3
179.03331	0.3
185.02364	2.9
187.03897	0.6
188.01105	0.2
189.01901	1.5
189.05391	0.2
190.02611	0.8
191.03529	1.2
191.05309	1.1
195.06531	0.3
200.01083	0.4
201.01859	3.9
202.02673	0.4
203.03445	2.3
209.11780	0.5
213.01891	0.8
216.00731	0.3
216.99561	0.3
217.01346	1.4
218.02060	0.3
219.02882	0.8
223.06192	0.2
226.99786	0.8
228.00574	0.4
229.01367	8.5
230.01909	0.7
231.02939	1.5
242.02054	0.2
243.02988	0.3
243.99928	0.3
245.00870	3.4
246.01395	0.4
247.02440	0.7
249.03998	0.3
254.99353	0.3
255.02925	0.3
257.00864	5.6
258.01550	2.3
273.00385	2.2
274.01251	1.4
275.01953	18.2
276.02350	1.1
281.04449	0.3
283.99619	3.0
285.00275	0.4
285.03848	0.2
299.99100	4.3
300.99872	100.0
302.00211	7.6
319.00858	0.4
435.09171	0.6
567.07806	1.5
585.08826	5.5
586.09143	1.0
719.08215	0.2
737.09900	18.7
737.30688	0.5
738.10248	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	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06187	0.2
53.91249	0.1
59.01260	0.5
60.99178	1.3
61.98702	100.0
63.99125	0.2
71.01240	0.8
71.51124	0.2
72.99197	0.2
73.02837	0.2
75.00755	0.2
77.14911	0.1
78.80558	0.2
78.95789	0.3
79.95580	0.2
80.96391	0.3
85.02835	0.2
87.00752	1.3
88.00250	0.8
88.98676	7.3
89.02307	1.3
96.95890	0.8
101.02335	0.4
102.93197	0.1
109.02872	0.3
113.02388	0.2
116.92741	0.5
117.92728	0.2
121.02856	0.2
123.04379	0.2
125.02323	0.8
135.02873	0.2
135.04475	0.2
137.02319	0.3
147.04411	0.2
151.03899	0.2
161.02364	0.3
161.04597	0.2
169.01350	0.7
171.10214	0.2
174.03197	0.3
175.03896	0.8
177.01955	0.2
190.02722	0.2
197.11725	0.2
209.11783	0.8
225.00748	0.3
231.02754	0.2
269.08160	0.2
275.02075	0.2
289.07358	0.2
300.99915	1.3
324.02393	0.2
347.82532	0.2
369.22989	0.3
691.31860	0.2
736.41229	0.2
737.30896	0.4
743.22455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07985	0.2
57.03321	0.3
59.01248	2.4
61.98701	100.0
69.03333	0.2
70.66492	0.3
70.66850	0.4
71.01254	3.8
72.01582	0.2
72.99183	0.2
73.02830	0.5
78.95789	0.8
81.03318	0.2
81.96431	0.2
83.01250	0.5
83.04898	0.4
85.02834	1.2
85.27926	0.2
87.00764	0.6
89.02314	1.5
92.25957	0.2
93.03366	0.2
95.04914	0.3
97.02840	0.5
99.00765	0.3
101.02318	1.8
109.06458	1.0
111.08079	0.4
113.02329	0.9
119.03446	0.3
125.02330	0.4
131.03433	0.8
133.10294	0.2
143.03403	0.4
152.99579	0.5
161.04495	0.4
163.11206	0.6
171.10240	0.3
179.05579	0.2
179.10724	0.4
181.12302	0.2
183.13942	0.3
189.09171	0.2
195.13925	0.6
197.11816	0.4
207.10188	2.5
209.11757	3.5
209.13527	0.2
210.12181	0.9
211.13338	2.8
223.13399	0.7
223.15421	0.2
224.13380	0.2
225.11269	6.7
227.12941	0.7
228.13176	0.2
235.08186	1.2
236.08702	0.2
236.84518	0.2
245.19199	0.3
253.09271	1.9
254.09718	0.2
277.21729	2.0
278.22079	1.5
279.23459	0.2
289.18100	3.3
289.21097	0.3
290.18384	0.8
291.19730	0.7
293.21219	5.2
309.20789	0.3
397.13562	2.6
398.13831	1.9
415.14746	0.8
416.15097	0.6
443.19342	0.6
461.20273	1.1
496.27545	0.2
526.28107	0.2
736.39948	0.2
737.42108	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	736.34
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98404	0.2
70.53201	0.1
74.84441	0.1
78.13997	0.1
80.96369	0.1
85.88934	0.1
101.02363	0.1
101.63893	0.0
175.03903	0.1
209.11823	0.1
225.00792	0.1
473.74429	0.1
741.90448	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01250	5.7
61.98703	0.2
66.98729	0.3
69.03326	2.2
71.01252	4.0
71.01619	0.3
71.04890	0.6
73.02826	0.7
83.01260	0.5
83.04897	0.6
85.02831	1.0
85.06476	0.7
86.63777	0.2
87.00774	0.7
89.02307	2.5
89.54155	0.2
91.22555	0.2
95.01244	0.4
95.04906	0.5
97.02773	0.2
98.20662	0.4
99.00761	0.3
101.02316	3.5
102.98939	0.2
109.06471	0.6
111.08025	0.6
113.02315	1.8
113.09592	0.2
119.03381	0.8
125.02332	0.3
125.09645	0.4
131.03345	0.3
143.03372	0.3
145.04903	0.5
149.09618	0.8
161.04485	1.7
161.13330	0.4
167.10674	3.3
168.11118	0.2
177.12733	0.8
179.05586	0.6
179.10721	1.2
179.14317	3.9
180.14688	0.3
183.01532	0.2
195.13832	16.3
196.14285	1.0
205.12270	9.6
205.15240	0.3
206.12653	0.6
211.13272	0.3
223.13339	100.0
224.13676	7.8
225.14882	1.1
228.13670	0.3
231.21185	0.4
235.08195	3.9
253.09247	15.8
254.09564	0.8
256.13144	0.8
265.21634	0.5
275.20126	5.2
276.20523	0.7
291.37894	0.2
293.21204	82.8
294.21542	8.5
302.43408	0.2
354.40247	0.2
441.21182	0.8
459.22345	10.5
460.22656	1.6
499.34189	0.5
529.30212	1.0
530.30920	0.3
666.36548	0.4
735.42578	0.9
736.44232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66719	0.9
53.19056	0.8
54.96764	0.8
57.03310	0.9
61.38292	0.7
63.96119	2.0
71.01256	7.4
73.02818	1.9
73.82333	0.8
78.95779	1.6
78.98464	6.6
79.95614	11.9
80.96389	73.4
81.03354	1.2
85.02819	3.1
87.00746	3.5
88.10138	0.8
94.97961	17.6
96.95880	1.7
97.02819	1.5
98.20678	1.7
101.02321	1.8
106.97946	2.9
111.40429	0.8
122.97422	3.0
125.02319	3.2
127.03896	0.9
134.97516	5.0
136.99028	2.1
144.65247	0.9
147.27496	0.9
148.99042	6.5
152.02953	1.0
152.98532	5.8
164.98538	13.0
175.16522	0.8
197.11670	1.8
206.99643	4.4
225.00705	19.5
229.34294	1.2
255.23203	3.3
458.86819	0.9
479.15915	3.3
735.39850	100.0
736.40253	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	734.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74851	0.2
59.01249	1.1
60.91880	0.2
61.80588	0.2
61.98700	6.3
71.01256	0.7
78.95773	0.3
79.95594	0.7
80.96388	3.5
82.95963	0.3
83.01257	0.2
83.04897	0.2
87.00770	0.2
88.98671	0.5
89.02275	0.2
94.97953	0.7
96.95890	0.6
99.00749	0.3
100.03925	0.4
101.02310	0.4
122.97414	0.3
125.02331	0.2
133.04980	0.3
134.97470	0.3
137.02328	0.2
148.99036	0.2
164.98541	0.4
174.03189	0.3
175.03922	1.6
176.04208	0.5
177.04520	0.3
197.11748	1.5
202.07141	2.1
209.11789	1.9
225.00679	0.8
226.00890	0.3
246.08916	0.2
253.09230	0.2
282.08786	0.2
317.04572	0.3
334.04947	0.4
335.05322	0.2
367.21362	0.3
393.31570	0.4
423.32578	0.6
471.34760	100.0
472.35110	17.2
472.42352	0.2
734.30951	4.4
734.42224	0.2
735.31873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86069	0.2
57.03311	0.2
58.12046	0.2
59.01241	1.9
61.98700	11.4
64.95017	0.2
70.53863	0.2
71.01250	0.8
71.50652	0.3
71.51063	0.3
73.02782	0.2
75.00759	0.2
79.95616	0.4
80.96391	2.3
82.95226	0.2
83.01254	0.3
83.04872	0.2
84.00734	0.3
85.02800	0.3
87.00733	0.3
88.98678	0.5
93.03347	0.2
94.97949	0.5
96.95878	0.5
99.00723	0.3
100.03893	0.3
101.02302	0.4
109.02904	0.2
113.02283	0.2
116.92725	0.4
125.02308	0.4
131.78746	0.2
135.04437	0.5
151.11272	0.2
151.96002	0.2
159.04390	0.3
164.98579	0.3
165.01869	0.2
171.10152	0.5
174.03154	0.2
175.03941	0.6
178.23422	0.2
191.05525	0.2
197.11723	1.5
201.11250	0.6
202.07123	2.2
209.11769	3.1
210.12021	0.3
210.48703	0.2
211.13336	0.4
225.00688	0.7
227.12852	0.3
235.88501	0.2
246.94145	0.2
253.09317	0.3
257.60446	0.2
289.18027	0.2
300.02774	0.3
307.19513	0.2
401.33875	0.2
471.34756	100.0
472.35138	17.3
472.42273	0.2
572.26038	0.2
678.32739	0.2
716.37402	0.3
734.30505	3.0
735.31812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.3
58.00470	0.7
59.01243	5.3
61.98701	16.4
70.48847	0.8
70.70508	1.4
70.70844	0.7
71.01260	4.2
72.23540	0.7
73.02850	0.8
75.27454	0.6
78.95775	22.6
80.02533	1.5
81.03325	1.7
83.04901	5.5
85.02810	0.9
89.02322	1.6
95.01228	0.6
95.04888	0.9
96.96855	1.3
97.06458	1.6
101.02335	2.8
109.06470	1.4
113.02312	2.0
113.09605	3.5
113.71744	0.7
114.09957	0.7
119.04940	0.7
122.00030	1.9
123.04414	1.2
123.08064	0.9
125.05914	0.8
125.09573	1.3
135.08018	0.9
137.02269	0.8
140.01074	7.2
152.99472	5.4
163.11198	5.4
165.12756	2.6
169.12164	1.0
171.10199	4.2
177.12753	1.4
179.14275	1.8
181.12294	1.8
185.11638	1.6
191.10669	1.0
191.14287	2.3
195.13828	22.3
196.03729	4.5
196.14064	1.1
197.11723	1.2
207.10150	2.2
209.11763	79.6
210.12112	2.1
211.13310	2.2
221.11703	0.8
223.09795	1.1
223.13312	1.0
225.11261	1.9
227.12839	8.3
235.08189	1.9
237.11240	1.2
245.19081	2.5
247.13440	1.2
253.09248	4.7
255.23291	0.8
263.19827	1.0
271.17026	0.8
277.21725	19.0
278.22061	2.6
289.18076	15.5
291.19678	1.0
293.21347	3.4
295.22760	100.0
296.23114	9.0
307.19156	12.2
309.18036	0.9
311.21512	0.7
327.19705	1.9
343.91580	0.6
345.20731	1.8
353.10315	0.7
406.16150	1.2
424.17477	1.2
456.20227	3.3
474.26080	0.9
492.27350	0.8
517.99060	0.7
556.65631	0.8
637.32129	1.3
702.39923	15.7
703.39972	2.8
717.38336	1.4
734.42462	60.1
735.42316	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	733.438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30589	0.6
55.01746	0.6
57.03318	3.2
59.01247	14.0
61.98689	2.4
68.59100	0.7
69.03323	0.7
70.82946	1.5
71.01253	16.6
72.99174	6.4
73.02801	1.1
75.00746	18.1
76.01098	0.9
81.03336	1.2
83.01244	0.9
83.04890	3.0
84.02021	0.9
85.02824	21.8
87.00750	8.0
89.02297	3.4
95.01270	5.8
96.70148	0.6
99.00758	12.5
103.00222	2.4
113.02325	19.7
115.00230	2.3
116.83485	0.6
117.01833	3.2
125.09618	2.6
127.11168	2.9
129.01776	1.4
153.67863	0.7
155.10699	1.3
157.01379	0.9
163.11238	1.9
165.12732	1.3
171.10155	0.9
175.02428	2.1
193.03413	0.8
199.09712	1.1
201.11255	34.2
202.11559	1.6
205.07028	1.2
209.11771	33.3
210.12137	1.0
227.12773	3.2
242.54164	0.7
249.06148	2.2
255.23274	43.9
256.23645	4.4
375.43991	0.7
477.19766	1.3
505.30621	1.3
627.36761	0.7
689.41083	11.8
690.41223	1.8
697.41455	1.5
715.42719	55.1
716.42981	10.5
733.43762	100.0
734.44110	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	734.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06239	0.1
57.03320	0.1
59.01252	0.3
61.30203	0.1
61.98703	100.0
62.98398	0.1
62.99123	0.1
70.17240	0.3
71.01257	0.2
72.47476	0.1
73.02813	0.1
78.95776	0.2
87.00779	0.2
88.98704	0.1
89.02317	0.1
95.04911	0.1
96.95903	0.5
97.06506	0.1
101.02368	0.1
116.92773	0.2
118.37768	0.1
125.02316	0.2
135.04387	0.1
136.50983	0.1
136.99081	0.1
137.02386	0.1
149.06017	0.1
152.99515	0.1
156.69025	0.1
161.02400	0.1
174.03183	0.3
175.03941	0.7
176.04263	0.1
188.55475	0.1
197.11784	0.2
207.10245	0.1
209.11742	0.5
210.12251	0.1
211.13319	0.1
225.11366	0.1
227.12810	0.1
249.15031	0.1
251.16603	0.2
299.99207	0.1
334.04901	0.1
335.05453	0.1
367.21408	0.2
471.34818	1.8
472.35043	0.2
690.19623	0.1
720.80774	0.1
734.40088	0.1
735.23438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.6
58.00460	1.0
59.01247	16.4
61.98691	2.0
62.83952	0.8
67.01747	1.2
68.99627	1.1
70.87513	1.7
71.01251	17.8
72.99168	6.3
73.02806	1.0
75.00742	17.5
81.03250	0.7
83.01254	1.6
83.04905	1.5
84.02031	1.6
85.02821	25.3
87.00753	7.8
89.02321	3.2
95.01254	5.6
99.00763	12.1
103.00243	3.2
111.00755	1.3
113.02326	21.9
115.00229	2.0
117.01805	2.5
124.74149	0.7
125.09604	2.4
127.11172	1.9
129.01781	1.1
137.21291	0.7
138.56587	0.7
147.08025	0.8
155.10674	1.0
156.29561	0.9
163.11133	1.4
165.12732	0.9
171.10197	1.6
171.87494	0.8
172.70074	0.8
175.02390	2.9
199.09674	1.0
201.11261	19.0
209.11769	17.9
210.12123	1.7
227.12807	1.8
249.06073	2.6
255.23259	86.4
256.23569	6.8
470.88983	0.9
505.29971	2.1
689.41162	12.8
690.41797	2.6
715.29913	1.8
715.42725	56.1
716.42987	13.0
733.43756	100.0
734.44116	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	733.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
57.37515	0.5
59.01249	7.4
61.98689	2.3
69.03325	2.0
71.01251	5.0
71.49845	1.0
73.02826	1.4
75.00789	0.5
77.92542	0.6
81.03308	0.5
83.04882	0.8
85.02817	1.1
87.00774	1.2
89.02301	3.1
93.03367	0.7
95.04882	1.0
97.06490	0.7
101.02303	3.8
106.39713	0.6
108.67900	0.6
109.06454	1.1
111.08044	8.3
113.02319	1.8
125.02265	0.8
135.11642	0.8
152.99377	0.6
161.04486	1.9
167.10681	4.4
177.12740	2.9
179.05417	0.7
179.10748	2.8
179.14323	3.9
195.13841	14.6
196.14160	1.0
203.14415	1.0
205.12305	10.0
206.12808	0.7
209.11653	0.7
223.13342	85.8
224.13721	4.7
235.08293	3.4
247.20630	2.6
253.09219	8.5
255.23402	1.0
273.18588	1.1
291.19662	100.0
292.19986	9.6
333.34113	0.6
403.24664	0.6
426.83368	0.7
441.21463	0.8
459.22379	8.8
460.22775	1.0
479.31427	1.1
497.32669	1.0
509.27390	1.1
527.28601	6.6
528.29004	0.9
715.40894	1.2
733.42267	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	733.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01250	2.9
61.98706	0.7
62.69803	0.3
63.02264	1.2
65.00188	2.5
65.98196	0.2
69.03327	0.3
69.22164	2.4
69.22577	0.5
71.01244	1.2
72.99179	0.2
73.02826	1.0
78.31083	0.3
78.95775	0.3
83.01260	2.6
83.02427	0.3
85.02841	0.4
86.24364	0.3
87.00786	0.3
87.59827	0.3
91.01783	0.4
93.03339	1.2
95.01247	0.5
96.95882	1.1
101.02332	0.8
107.01267	5.6
108.02075	0.9
109.02847	2.6
113.02278	0.3
115.00350	0.3
116.54889	0.3
117.06121	0.3
119.01267	0.5
119.04918	0.2
121.02081	0.4
121.02854	4.5
123.00758	0.6
123.04353	0.4
124.01551	0.4
125.02335	5.4
134.43034	0.2
135.00780	1.0
135.02905	0.4
135.04404	0.8
136.01544	0.8
137.02353	0.8
139.00296	0.3
139.03940	0.5
145.02870	0.5
146.03639	0.5
148.01552	0.8
149.02351	0.8
150.03096	0.6
151.00273	24.4
151.03899	1.0
152.00635	0.6
159.04434	0.6
161.02298	0.6
161.05847	0.3
162.03061	0.3
163.00290	3.9
163.03914	0.7
164.01031	0.9
165.01834	1.3
165.05438	0.6
165.97498	0.3
167.03319	0.3
169.01326	7.3
169.02769	0.4
170.01596	0.5
174.03096	0.4
175.03932	1.0
177.01819	0.3
178.99777	13.3
179.07088	0.7
183.04410	0.8
185.05977	0.5
187.03917	0.8
190.99812	0.6
191.05377	0.4
193.01338	1.0
195.14244	0.3
199.03882	1.0
200.04494	0.4
201.05495	0.7
203.03432	0.6
209.11789	0.5
211.03967	1.5
212.04478	0.3
213.01790	0.5
213.05615	0.3
215.03448	0.6
216.04277	0.5
223.13371	0.4
224.76303	0.3
225.15099	0.4
226.02707	0.8
227.03476	2.5
227.12823	1.3
228.04060	0.4
229.01477	0.3
229.04922	1.6
239.03439	0.7
243.02982	5.0
244.03514	0.5
245.04503	1.7
254.02263	1.0
255.02962	17.9
256.03400	1.8
257.04446	0.6
266.02261	0.4
269.13919	0.5
271.02463	29.6
272.02878	2.8
273.04004	2.1
275.01956	0.4
278.05176	0.5
283.02451	2.5
284.02704	0.4
287.14981	2.5
293.04486	2.3
294.05118	1.7
295.05292	0.8
299.01938	1.1
300.02737	43.7
301.03491	100.0
302.00635	0.3
302.03827	7.8
315.05124	0.7
359.14880	0.4
375.27426	1.2
386.66797	0.3
431.19235	3.3
432.19571	0.6
463.08905	3.3
464.09052	0.5
488.07202	0.6
489.07993	0.4
505.09833	3.1
563.17517	1.1
651.13422	0.7
653.14301	1.1
673.21265	0.9
715.22046	2.3
716.23047	0.7
733.23389	27.4
734.23718	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	732.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.1
61.98702	100.0
62.98397	0.1
69.27773	0.2
69.28184	0.4
74.51329	0.1
75.00737	0.1
78.95808	0.1
83.04898	0.1
87.00750	0.1
88.98715	0.1
96.95904	0.2
104.83463	0.1
123.04449	0.1
125.02349	0.1
154.15166	0.1
175.03961	0.1
209.11829	0.2
210.12041	0.1
223.13235	0.1
253.09167	0.1
317.99594	0.1
329.46060	0.1
421.42450	0.1
434.35568	0.1
455.05072	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64444	0.1
59.01242	0.1
61.98701	100.0
62.98404	0.2
62.99141	0.1
67.09026	0.1
70.89174	0.2
77.18152	0.1
101.02396	0.1
171.10255	0.1
209.11816	0.2
223.13455	0.1
245.11517	0.1
291.81000	0.1
732.41827	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	731.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.8
61.98380	1.0
61.98703	18.8
63.99117	0.9
65.00191	5.4
65.40977	0.5
71.01266	2.6
72.99174	0.5
73.02827	0.5
79.95595	1.1
83.01255	0.5
85.02827	1.5
87.00768	0.8
88.98661	1.4
89.00197	1.4
89.02311	1.6
91.01791	1.4
93.03336	1.6
95.88764	0.4
96.95892	9.2
97.02827	4.4
98.19757	1.2
101.02314	2.1
107.01261	0.9
107.41364	0.5
108.02029	0.7
109.02836	1.8
109.99995	0.6
113.02317	0.6
113.83079	0.5
119.04929	0.7
121.02847	12.6
123.00767	0.6
123.04407	1.0
124.01544	0.6
125.02324	1.6
131.04948	0.6
135.04411	0.9
136.01527	0.6
137.02365	1.1
138.96954	0.6
139.03909	1.2
145.02864	2.4
149.02374	2.4
149.99484	2.2
150.03151	2.8
151.00233	1.8
151.03838	0.6
161.02325	2.8
163.00285	0.6
163.03914	1.1
164.04692	0.9
165.01849	39.9
165.05463	3.3
166.02211	1.2
167.03433	1.1
169.01334	1.4
173.02367	4.7
174.03145	1.9
175.02502	0.7
175.03929	7.3
177.01852	0.6
178.99834	0.6
179.03485	0.8
179.07074	0.6
183.02898	1.0
189.01851	1.6
191.03485	0.6
191.05531	0.6
192.00601	0.9
193.01340	5.0
195.06544	1.3
198.03145	0.6
201.01913	0.5
206.02187	0.5
207.02939	0.7
209.11879	1.0
211.03893	1.1
214.02708	0.9
217.04875	0.6
220.44440	0.5
221.06123	0.6
226.02692	1.4
227.03311	0.8
228.04280	1.0
233.06351	0.6
237.05534	0.5
241.00189	8.0
241.04921	0.8
242.02187	1.2
243.02901	0.7
249.05475	1.6
254.02220	1.6
255.02927	3.0
256.03555	0.9
257.04532	0.7
259.01434	0.6
269.04572	2.0
270.01761	0.8
271.02426	4.6
271.05457	1.0
272.03055	1.1
277.05051	1.4
282.01682	0.9
285.04068	1.6
287.05713	1.8
297.03888	0.8
298.98663	1.1
299.01956	6.8
299.05588	3.0
299.99338	1.0
300.02606	6.2
301.00052	0.8
301.03552	1.1
309.09720	0.6
313.03513	9.1
313.23947	0.8
314.01471	0.3
314.04309	19.5
315.05093	100.0
316.05432	7.8
327.06470	0.6
343.06345	0.7
344.06696	0.7
353.04694	1.0
355.06235	0.8
366.05554	0.7
369.11862	0.6
371.05426	1.0
381.03711	0.9
382.04736	2.0
383.05646	1.0
384.06390	1.2
394.00110	3.4
395.00778	6.3
396.01041	0.6
397.07184	0.8
399.00385	0.5
399.05078	1.7
400.05826	1.4
410.04395	1.4
411.05090	0.8
412.05560	0.7
425.06528	2.7
427.03967	1.0
428.05392	1.4
439.04489	0.6
443.07642	7.2
444.08163	1.4
453.05981	1.2
454.06631	1.2
456.04767	1.8
471.07199	35.6
472.07483	4.6
476.09344	0.8
477.10339	4.0
478.11081	0.8
489.08463	3.9
490.08606	0.7
551.02826	6.1
552.03284	1.1
569.03937	16.6
570.04065	2.5
651.13391	1.7
707.17804	0.6
731.09375	13.1
731.37506	1.8
732.09967	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	731.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01247	6.5
60.55609	0.5
61.98702	20.8
63.99125	0.7
65.00199	6.9
71.01253	3.9
72.99163	0.9
73.02806	1.5
75.00750	0.8
78.95731	0.7
79.95619	0.9
85.02822	1.0
87.00723	1.0
88.98692	1.0
89.00210	1.4
89.02319	1.6
91.01750	0.9
93.03331	2.7
95.01208	0.8
96.95895	10.9
97.02837	4.5
97.50881	0.7
98.19756	1.1
99.00776	0.8
101.02300	1.8
107.01245	0.9
108.02057	1.4
109.02837	1.6
113.02373	0.9
121.02836	14.2
123.00784	0.6
123.04326	0.6
125.02311	2.5
133.02855	0.8
134.03561	0.9
135.04391	1.8
137.02316	1.1
139.03902	1.1
145.02861	3.3
146.03598	0.7
148.01416	0.7
149.02364	2.2
149.99477	2.5
150.03163	3.0
151.00244	2.2
151.03903	0.6
161.02342	2.9
163.03908	1.0
164.04716	1.3
165.01834	41.3
165.05482	3.9
166.02257	1.8
168.00600	0.6
169.01326	1.5
172.01550	0.8
173.02400	5.5
173.03806	0.7
173.04417	0.7
174.03090	2.1
175.03928	7.8
177.01790	1.0
179.05534	0.9
182.03511	0.6
183.02844	0.9
189.01857	1.2
191.05487	0.9
192.00670	0.6
193.01334	5.6
195.06543	1.8
198.03082	0.8
209.11676	1.4
212.04582	0.7
226.02620	2.4
227.03429	1.3
229.28117	0.7
238.57619	0.7
241.00151	7.9
242.02176	1.3
243.06522	0.6
249.05484	1.5
254.02202	2.1
255.02974	3.5
256.03748	1.8
257.04553	0.7
259.01324	0.8
269.04504	2.1
270.01572	1.3
271.02478	3.6
272.03140	0.8
277.05011	1.8
282.01721	0.9
284.03308	1.3
285.04007	1.1
287.05588	0.8
297.04071	0.9
299.01938	9.1
299.05508	2.1
299.99414	1.3
300.02740	6.0
300.99783	1.4
301.02924	1.4
313.03525	9.3
314.04266	21.3
315.05075	100.0
316.05435	7.5
326.05630	0.8
327.06500	0.8
343.06091	1.1
353.04398	1.9
354.05273	1.0
355.06226	0.7
371.05627	1.4
381.04077	0.8
382.04684	2.2
383.05280	1.4
384.06372	0.9
393.99881	4.4
395.00711	7.3
396.01227	0.7
399.05063	2.2
400.05789	2.3
410.04248	1.7
412.05563	1.3
415.08429	1.0
425.06848	2.8
427.04147	1.5
428.05280	1.6
443.07648	8.4
444.07858	0.7
453.06152	1.4
453.94046	0.6
454.06934	0.9
456.04868	1.8
471.07169	39.8
472.07632	4.0
477.10443	3.6
489.08099	4.6
551.03082	6.8
552.03741	0.8
557.06006	0.8
569.03918	15.6
570.04242	1.8
651.13641	1.7
731.09186	12.4
731.38428	0.9
732.09912	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	731.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79420	0.5
59.01247	3.7
60.65189	0.5
61.98698	9.0
65.00193	7.6
67.01727	0.7
71.01244	2.4
72.99180	0.7
79.95580	1.2
80.54061	0.5
85.02815	1.0
86.18151	0.5
88.98669	0.7
89.00194	1.3
89.02321	1.9
91.01752	1.4
93.03320	2.0
95.01237	0.7
96.95885	10.2
97.02824	5.9
101.02311	1.3
109.02802	1.2
110.00003	1.0
113.02348	0.8
119.36788	0.5
121.02834	14.0
123.00745	0.7
123.04427	0.5
124.01506	0.6
125.02335	1.8
125.45858	0.5
131.04893	1.0
135.04428	0.7
137.02269	0.5
139.03856	0.8
145.02869	3.2
148.01584	0.6
149.02357	1.4
149.99509	2.1
151.00301	2.5
151.28392	0.5
152.01025	0.6
158.03723	0.5
161.02357	1.9
161.06006	0.7
163.00247	1.1
165.01837	44.9
166.02135	1.2
169.01324	2.2
171.10153	0.6
173.02354	5.8
174.03087	1.6
175.03926	9.9
176.04268	0.7
177.01837	0.6
179.03380	0.9
179.05502	0.8
183.02936	1.0
189.01859	1.7
192.00517	0.6
193.01350	5.2
198.03163	1.4
207.02907	1.5
209.11752	1.7
212.04688	0.7
221.05995	0.6
226.02664	1.9
227.03372	1.9
228.04153	0.8
229.05005	0.5
233.06001	0.7
240.04295	0.8
241.00130	8.4
241.05023	0.6
242.02310	2.6
243.02986	0.9
243.06445	0.8
244.03796	0.6
249.05457	1.7
254.02158	2.4
255.02965	2.7
256.03632	0.9
257.04596	0.7
269.04523	2.4
270.01685	0.6
270.04874	0.8
271.02350	5.4
271.04739	0.6
272.03262	0.9
277.05045	1.7
279.02963	0.6
282.01797	1.0
283.02457	1.0
284.03336	0.8
285.03909	1.1
287.05646	1.9
297.04059	1.2
299.01941	9.4
299.05569	3.4
300.02722	6.3
301.03253	0.7
313.03387	8.9
313.10397	0.6
314.01266	0.5
314.04279	24.0
315.05078	100.0
316.05307	8.5
327.06799	0.7
338.05753	0.8
343.06094	1.4
353.04611	3.6
354.05283	2.0
355.06158	1.1
356.06680	0.6
366.05264	1.2
367.05811	0.8
371.05573	1.9
372.06091	0.6
381.03906	1.4
382.04874	2.9
383.05618	2.2
384.06235	0.9
394.00037	5.8
395.00708	8.8
397.06921	0.9
399.04861	2.7
400.05753	2.2
410.04401	1.8
411.04828	1.0
412.05569	1.0
415.08017	0.8
425.06732	4.3
426.07233	0.6
427.04495	1.1
428.05377	2.1
439.04608	1.4
443.07663	16.7
444.07965	2.1
453.06128	1.9
454.06915	2.7
455.03879	0.9
456.04694	2.9
471.07190	50.0
472.07538	6.9
477.10422	5.4
478.10553	0.6
489.08163	4.0
551.02869	8.9
552.03198	1.7
557.06128	1.4
569.03912	20.3
570.04108	2.2
651.13281	1.2
731.09271	20.7
731.21936	1.0
731.37317	0.9
732.09509	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	731.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.7
59.20564	0.7
61.98699	24.7
65.00187	6.1
71.01249	5.2
71.52052	1.4
72.99187	1.7
73.02814	1.6
75.00738	1.5
78.95749	1.2
79.95595	0.9
83.01252	1.2
85.02833	1.9
87.00748	2.5
88.98689	3.5
89.00209	1.5
89.02331	2.6
91.01756	1.0
93.03332	2.3
95.01265	1.4
96.95879	12.8
97.02834	5.7
99.00738	1.0
101.02331	3.6
108.02051	1.4
109.02862	2.0
113.02328	1.2
119.03399	1.2
121.02837	14.5
123.00777	1.2
123.04444	1.7
124.01562	1.6
125.02315	3.1
131.04932	1.0
135.04422	1.8
136.01550	1.1
136.98688	1.3
137.02380	1.8
139.00296	0.8
139.03911	2.3
145.02902	2.4
147.04449	0.9
149.02385	2.3
149.99490	2.8
150.03229	1.4
151.00249	1.7
151.03967	2.2
152.99507	0.8
153.05511	0.8
159.04398	2.2
161.02339	4.1
161.04483	1.5
162.03131	0.9
163.00255	1.0
163.03894	0.9
164.04642	0.8
165.01842	48.7
165.05467	1.7
166.02220	1.4
167.03468	1.5
169.01320	2.9
172.71828	0.9
173.02336	5.1
174.01607	4.5
174.03064	2.7
175.03914	22.9
176.04329	1.0
177.05534	1.0
178.02626	1.1
178.99779	0.9
179.03453	1.4
183.02924	1.8
189.01871	2.3
190.02641	0.8
191.03506	0.9
191.05435	1.3
192.00462	0.9
193.01358	5.3
198.03172	1.3
200.04576	1.1
207.02878	1.4
209.11743	5.2
213.05370	0.8
225.11200	0.9
226.02715	2.0
227.03328	1.9
227.13037	0.9
233.05963	1.1
240.04146	1.1
241.00209	9.2
242.02258	1.9
243.02998	0.9
243.06613	0.9
249.05554	1.9
254.02150	2.2
255.02934	2.7
256.03625	1.7
259.01279	1.9
269.04520	2.9
271.02356	4.3
277.05182	1.6
284.03546	0.9
285.03946	1.3
287.05637	1.4
297.03998	1.3
298.04791	0.9
299.01993	7.7
299.05634	2.6
299.99585	1.2
300.02646	5.6
300.99756	1.2
301.03290	1.4
313.03427	9.0
313.10977	1.4
314.04285	24.7
315.05078	100.0
316.05435	7.2
343.11954	1.0
353.04495	2.3
355.05951	1.8
364.54037	1.0
371.05603	2.7
372.06052	1.2
381.04129	1.9
382.04843	2.0
383.05475	1.4
394.00003	4.9
395.00711	9.3
396.01035	1.5
397.07196	1.1
399.05026	2.6
400.05908	3.1
409.18533	5.0
410.04416	2.4
411.04727	1.3
412.05768	1.2
425.07010	4.0
427.04456	2.3
428.05261	2.3
439.04190	1.2
443.07645	18.0
444.07956	1.7
451.19687	1.0
453.06024	1.7
454.06699	2.4
456.04874	3.1
471.07187	49.2
472.07437	7.0
476.10071	1.0
477.10309	6.2
489.08310	3.2
512.04993	0.9
551.02673	8.7
552.02661	1.2
569.03973	15.9
570.04126	1.2
579.21283	1.0
651.14294	1.3
731.09290	21.6
731.27295	4.2
731.38916	1.6
732.09338	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	729.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.5
59.01255	0.7
69.03333	1.1
69.49087	1.4
69.49493	2.8
81.03335	1.4
83.01247	4.5
93.03324	1.1
95.01260	1.6
95.04913	1.0
97.02832	4.0
98.20535	1.3
105.03429	0.5
105.99848	0.6
107.01296	0.9
107.04874	0.9
109.02834	16.2
111.00772	0.8
117.03355	1.2
121.02850	3.4
123.00761	1.3
123.04403	10.5
124.01545	1.0
125.02331	100.0
126.02678	3.6
131.04904	1.2
132.54243	0.6
133.02850	4.1
135.04437	3.2
137.02341	18.0
139.03896	2.2
143.04947	0.9
145.02846	5.5
146.03583	0.7
147.04443	0.9
149.02333	5.2
150.03137	0.9
151.03902	11.4
152.04219	0.8
153.01865	0.8
159.04433	4.6
160.05176	1.1
161.02345	23.4
161.05977	5.4
162.02969	2.3
163.00266	2.7
163.03897	2.7
164.01041	3.1
165.01816	4.2
166.99741	0.8
167.03421	1.8
169.01340	22.9
173.02327	0.6
173.05971	1.1
174.03125	0.8
175.03937	9.3
175.07596	1.1
176.01065	0.9
177.01843	10.6
177.05492	1.4
179.03413	3.8
183.04399	1.9
185.05977	2.9
187.03888	6.7
188.04637	3.3
189.01790	0.9
191.03404	1.3
193.01349	2.9
199.03928	3.0
200.04700	0.9
201.01926	1.1
201.05565	2.8
202.06438	1.5
203.03319	1.3
203.07056	9.7
205.01442	1.1
205.04977	5.4
209.06070	1.6
211.03970	1.5
212.04677	1.1
213.05504	1.0
214.02734	0.9
215.03494	1.8
215.29079	0.7
217.04941	3.3
219.02910	2.0
221.08150	2.3
225.05511	1.8
227.03499	2.9
227.07071	3.1
228.04160	1.6
229.05051	3.3
231.02876	1.4
238.06276	0.6
241.05031	1.4
243.02951	8.1
243.06593	0.7
244.03590	1.1
245.04492	6.8
245.08145	11.6
246.04752	0.7
246.08516	1.3
247.06163	1.1
253.05080	3.4
253.07372	0.6
255.02972	10.7
256.03714	6.3
257.04547	2.5
269.04529	4.0
270.05240	0.9
270.98532	0.7
271.06076	12.1
272.06537	1.2
273.04053	2.0
281.04544	3.3
283.02536	1.7
284.03314	1.0
285.04074	4.9
286.04633	0.7
287.05585	6.9
289.07172	54.5
290.07544	4.7
297.04132	2.5
299.05557	2.9
303.05188	2.2
339.08749	1.8
341.06897	0.8
363.08771	0.7
381.09897	1.2
389.06573	7.0
407.07697	82.3
408.08011	11.0
425.08734	6.3
433.09253	4.8
441.08224	11.8
442.08627	1.4
451.10336	16.9
452.10669	2.6
559.11237	4.3
560.12915	1.1
577.13690	10.4
578.13037	1.6
603.11346	3.8
729.14557	4.7
730.15704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84392	0.8
54.08143	0.8
55.39873	0.7
57.03323	10.3
59.01242	1.1
62.76040	0.7
69.03313	2.0
69.41584	6.1
71.01248	0.9
73.85165	0.8
81.03327	1.3
83.01254	3.7
90.11469	1.0
93.03337	2.3
95.01252	1.9
95.04901	1.5
97.02836	2.5
101.67593	0.8
109.02842	16.2
113.85837	0.8
117.03326	1.7
121.02808	2.6
123.00741	1.6
123.04387	10.0
124.01518	1.0
125.02335	100.0
126.02658	3.3
133.02850	3.4
135.04425	2.7
137.02342	15.4
139.03914	2.2
145.02806	1.3
147.04417	0.9
149.02354	5.5
150.03142	1.2
151.03918	8.8
159.04430	3.4
160.05106	1.1
161.02338	23.8
161.05988	1.9
162.03011	2.0
163.03938	5.1
164.01033	5.0
165.01817	3.7
167.03389	1.4
169.01331	20.4
173.05956	1.4
174.02968	0.8
175.03891	6.7
175.07507	0.9
177.01917	4.9
177.05504	1.1
179.03323	2.3
183.04391	1.3
185.02501	0.8
185.06058	1.4
187.03999	5.8
188.04720	1.1
189.05424	0.9
191.05530	1.1
193.05005	1.5
197.05959	1.2
199.03917	2.6
199.07713	0.9
201.01674	0.9
201.05478	2.7
203.03436	1.7
203.07124	5.2
205.01247	2.0
205.04987	6.8
211.03935	0.9
213.05435	2.3
217.04962	1.4
219.02928	1.1
222.40388	0.8
225.05574	2.3
227.03494	2.8
227.07050	1.6
228.04230	1.2
229.05002	3.0
231.02969	2.7
241.05171	1.4
243.02876	2.2
243.06630	1.7
245.04491	6.7
245.08131	6.7
247.05859	1.6
253.04964	1.4
255.02979	5.2
256.03748	2.6
257.04523	2.1
269.04559	16.8
270.04904	2.3
271.06088	3.0
273.04007	2.6
281.04526	3.4
283.02457	1.6
285.04068	2.6
287.05643	14.4
288.05920	1.2
289.07156	25.3
290.07611	2.0
297.04050	1.1
299.05786	4.0
300.99738	1.3
303.05106	1.8
309.04120	1.3
309.07443	1.0
311.05481	1.8
313.03378	1.6
339.08679	1.8
363.08597	1.4
381.09698	1.2
407.07669	34.8
408.08032	4.9
416.15665	0.9
419.07623	1.3
425.08737	14.7
426.08759	1.3
433.09268	7.5
434.09616	1.0
437.08646	3.3
439.06857	1.6
441.08115	1.1
449.08679	5.6
450.09167	1.3
451.10431	9.1
452.10626	2.0
515.13281	1.5
541.11438	3.0
559.12457	12.1
560.12836	2.4
577.13495	27.0
578.13702	3.7
729.14642	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	727.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	2.3
67.05347	1.7
69.40570	6.9
69.40998	7.0
69.46069	1.4
73.10632	1.7
78.68599	1.8
78.95779	100.0
96.96844	9.6
102.10287	1.5
106.74514	1.5
151.56258	1.6
152.99478	58.0
186.59778	1.9
192.82712	1.4
194.99086	1.4
195.13844	23.5
256.59122	1.9
277.21732	16.0
295.22739	69.0
296.23151	5.9
431.22021	42.7
432.22168	2.5
449.23105	11.3
727.45593	43.9
728.46051	9.9
744.01465	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	728.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
61.98701	100.0
62.98418	0.2
70.02969	0.4
71.01276	0.1
98.20459	0.1
110.74838	0.1
151.68860	0.1
152.99556	0.1
159.39404	0.1
183.58264	0.1
195.13889	0.1
197.11792	0.2
198.12170	0.1
209.11761	0.2
223.13283	0.5
224.13651	0.5
225.13985	0.2
237.84639	0.1
255.68312	0.1
281.21243	0.2
342.76306	0.1
444.77197	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87877	0.9
57.03304	3.3
59.01246	7.5
59.77953	0.9
61.98695	8.4
71.01239	6.4
71.50806	1.6
72.99184	7.1
73.02796	1.0
75.41306	0.9
78.95743	2.1
85.02809	1.8
85.16694	1.0
85.85190	0.9
87.00717	1.8
89.02303	3.3
95.04941	1.5
97.06464	7.2
101.02328	5.3
103.59130	1.0
113.02312	1.8
113.09603	2.0
125.02353	1.4
133.10120	1.0
137.02258	1.0
149.02318	1.2
151.11201	17.8
152.99478	1.2
161.04466	2.0
169.12254	48.2
170.12564	3.5
171.10156	1.1
173.04309	1.1
191.99684	0.9
194.12605	0.9
195.10143	2.9
195.13858	11.9
199.09502	1.3
213.11220	9.1
235.08099	1.7
238.02394	1.2
253.09172	4.7
277.21729	11.0
295.19461	2.2
295.22766	42.1
296.22937	4.7
335.95395	1.1
343.22098	1.0
372.39587	1.2
385.07797	1.0
431.19165	2.0
449.20084	2.4
510.33017	1.2
727.42725	100.0
728.30188	1.4
728.43011	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	725.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99644	0.4
57.03320	0.5
59.01239	0.9
61.98687	0.9
62.23488	0.5
62.96277	0.7
78.95773	100.0
91.51392	0.5
96.96838	10.5
113.09598	1.5
134.98396	1.6
150.97937	0.5
152.99486	55.4
153.99783	1.3
171.00583	1.1
171.10179	1.7
179.14345	1.7
191.48155	0.6
195.13834	16.7
196.14236	1.2
223.13353	2.4
241.01152	0.9
255.23322	1.6
256.12860	0.7
275.20212	2.2
277.21744	7.9
278.22037	1.2
293.21207	22.2
294.21674	2.8
295.22775	37.4
296.23010	3.1
336.42145	0.6
371.38177	0.5
379.51413	0.6
429.20468	21.8
430.20807	2.0
431.22006	28.7
432.22644	3.0
447.21426	5.8
448.21844	0.5
449.23062	7.9
450.23621	1.0
592.52502	0.5
725.44061	51.6
726.44434	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92634	0.2
58.00464	0.2
58.93042	0.1
59.01248	8.0
60.99167	0.6
61.98700	5.2
71.01260	0.9
71.08204	0.4
72.99182	0.4
74.98963	0.2
75.00727	0.4
78.95771	0.2
83.01210	0.1
85.02824	0.2
87.00753	0.3
88.98684	0.9
89.02306	0.9
93.03288	0.2
96.95869	0.4
101.02319	1.0
108.02022	0.2
109.02827	0.3
113.02334	0.3
116.92725	0.2
119.03381	0.7
123.04406	0.4
125.02294	0.5
135.04404	0.2
136.99069	0.3
137.02341	0.3
150.03108	0.2
153.05463	0.3
161.02347	0.3
163.03891	0.2
169.01315	0.2
175.03955	0.8
179.03233	0.2
193.04999	0.3
205.05020	0.2
293.22702	0.2
300.99896	0.3
312.91733	0.2
315.54306	0.1
365.24786	0.5
377.28430	0.4
393.31885	0.3
394.32428	0.3
401.26730	0.2
415.28656	0.2
419.29651	0.2
421.31128	4.9
422.31424	0.7
437.30630	0.2
439.32437	0.5
441.33810	0.4
457.33191	0.3
465.29987	0.2
485.32822	1.4
486.33209	0.2
502.32574	0.3
503.33746	100.0
504.34097	17.1
529.31366	0.3
545.35052	0.7
582.72076	0.2
725.33282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63364	0.2
59.01248	37.3
60.01573	0.3
60.99163	0.3
61.98703	2.1
62.68171	0.2
62.68806	0.2
63.81723	0.2
71.01263	1.3
72.24646	0.2
72.99195	0.2
73.02816	0.2
75.00744	0.2
83.01265	0.3
85.02828	0.8
87.00732	0.4
87.04417	0.3
88.98683	1.5
89.02293	0.6
93.03357	0.2
95.01274	0.3
96.95886	0.3
99.04420	0.2
101.02290	0.8
108.02049	1.5
109.02850	0.9
113.02326	0.5
116.92725	0.2
119.01299	0.2
119.03412	0.3
121.02799	0.2
123.00777	0.2
123.04400	0.3
125.02319	0.4
134.03612	0.3
135.04343	0.3
136.01581	0.5
137.02345	0.5
147.04407	0.3
149.02307	0.6
149.05975	0.4
151.03882	0.5
152.01056	2.0
153.01759	0.5
154.02408	0.2
161.02296	0.4
161.04482	0.4
163.03876	0.2
164.04646	0.4
165.01826	0.2
165.05524	0.4
167.03401	1.3
169.01324	0.3
174.03166	0.5
175.00296	0.6
175.03905	2.6
176.04324	0.2
189.01816	0.3
190.02641	1.6
191.03416	0.4
191.05424	0.2
193.05014	0.4
205.04993	1.5
209.04419	0.4
209.11763	0.4
217.01485	0.2
221.06491	0.3
223.06090	0.3
255.02953	0.3
269.04456	0.2
279.02887	0.2
295.02618	0.2
297.04050	0.4
300.02783	0.5
301.03516	0.4
323.02057	0.5
342.10983	0.2
367.10165	0.9
407.29517	0.2
455.31921	0.3
467.31390	0.3
503.33759	100.0
504.34116	14.6
504.39832	0.2
545.34930	1.0
563.21112	1.2
564.21075	0.2
587.72693	0.2
665.39160	0.9
716.29114	0.2
725.25446	1.0
725.41376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.4
59.02800	0.2
61.98701	3.2
65.63400	0.2
69.91143	0.2
69.95577	1.0
71.01259	1.1
73.02802	0.3
85.02808	0.2
88.59692	0.2
88.98666	0.9
89.02322	0.6
91.02277	0.2
95.50965	0.3
96.95908	0.3
101.02352	0.6
113.02328	0.7
113.54574	0.2
125.02335	0.7
135.04349	0.2
149.85110	0.3
161.02365	0.4
161.04460	0.3
169.01297	0.7
169.68936	0.2
175.03906	0.7
189.01785	0.3
205.04915	0.2
209.11812	0.3
272.25040	0.2
293.04373	0.3
313.05780	0.7
351.08765	0.3
352.09290	0.3
379.08130	2.6
380.08777	0.3
387.23859	0.3
437.71393	0.3
485.32791	0.9
492.86139	0.2
502.32623	0.3
503.33755	100.0
504.34097	16.8
506.58875	0.3
517.35236	0.5
545.35114	2.4
546.34674	0.5
551.53162	0.3
665.39087	8.4
666.39459	2.1
725.37201	0.3
726.42029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.6
59.01252	4.9
61.98704	0.8
62.96478	0.6
70.98875	1.4
70.99229	0.9
71.01248	5.1
73.02809	1.1
74.27480	0.5
79.43761	0.5
83.01284	0.6
85.02854	1.5
87.00733	1.4
89.02306	3.1
95.04903	1.7
97.06470	6.3
101.02329	4.2
111.55157	0.5
113.02313	2.2
114.65069	0.6
119.03361	0.7
125.09573	0.9
145.04927	0.7
151.11189	15.3
161.04466	0.8
169.12254	46.3
170.12614	2.4
177.76820	0.6
195.10214	2.8
195.13834	5.1
205.12332	0.9
213.11285	5.9
223.13301	3.7
235.08165	1.5
253.09236	3.9
275.20163	3.0
293.21213	23.1
293.24533	1.1
294.21466	2.8
322.10202	0.6
431.19119	2.1
449.20340	3.4
725.41107	100.0
726.41467	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92741	0.3
51.43892	0.3
55.01741	0.5
56.00903	0.4
57.03307	0.9
58.00452	0.4
59.01249	34.7
60.01589	0.5
61.98429	0.4
61.98705	5.1
66.74789	0.3
69.03337	0.6
71.01257	5.7
71.06170	0.8
71.87711	0.3
72.27544	0.3
72.90843	0.3
72.99168	0.5
73.02805	1.4
75.00731	0.5
78.95776	0.3
83.01257	0.9
85.02819	2.8
87.00743	0.7
87.04362	0.8
88.98666	0.7
89.02312	2.6
91.01754	0.4
91.64930	0.3
93.03326	1.0
95.01259	0.9
95.04865	0.3
96.95893	1.6
97.02792	0.3
99.00761	0.8
100.10928	0.3
101.02322	3.2
108.02023	1.0
109.02828	1.4
111.00737	0.5
113.02319	3.0
115.03944	0.4
116.92741	0.3
117.03371	0.5
119.01249	1.4
119.03384	1.1
119.04877	0.6
120.65266	0.3
121.02867	1.9
122.03637	2.9
123.00764	0.6
123.04402	2.4
125.02325	2.1
133.02859	0.4
134.03636	0.6
135.04384	1.1
136.01559	12.7
137.02420	1.5
143.03391	0.4
145.02827	2.0
147.00760	1.2
147.04431	0.6
149.02347	4.4
149.05948	0.7
150.03059	1.0
151.00269	0.4
151.03909	13.3
152.01048	1.2
152.04240	0.7
153.01790	0.5
161.02342	1.0
161.04491	1.9
161.05736	0.4
162.03142	0.7
163.03865	1.0
164.04715	4.7
165.01810	0.9
165.05446	1.4
166.02583	0.4
167.03406	0.5
169.01329	1.3
171.04523	0.3
171.10208	0.4
173.02304	0.4
173.04436	1.0
174.03140	0.9
175.00293	8.0
175.03880	2.8
175.07494	0.4
176.00873	0.8
176.04526	0.3
177.01752	0.6
177.05504	0.5
179.03439	0.4
179.05530	0.7
179.07047	0.9
181.05025	0.4
187.03908	0.5
189.01836	0.5
189.05392	0.3
190.02638	21.1
191.03094	1.8
191.07007	0.4
193.01360	0.5
193.05052	0.4
201.11406	0.4
203.03410	0.4
205.04999	20.8
206.05394	1.7
208.03587	0.4
209.04468	0.8
209.11711	1.3
210.12181	0.4
217.19766	0.3
221.04581	0.4
223.06068	4.9
224.06390	0.3
227.12616	0.5
228.35193	0.3
231.06488	0.5
275.01871	0.4
285.09802	0.8
299.01868	0.4
300.02505	0.4
300.99982	0.6
307.08148	0.8
327.12369	1.4
343.11749	1.7
357.13419	3.1
358.13739	0.6
367.10303	23.8
368.10745	2.6
395.20929	0.7
395.29782	0.4
403.13873	0.3
407.29465	0.6
413.21808	1.1
441.33911	0.6
471.30804	0.4
473.33417	0.4
485.32919	0.6
495.31104	0.3
503.33749	100.0
504.34088	16.6
517.35016	0.7
545.34668	2.4
563.21313	0.3
665.39648	1.0
725.25165	7.2
726.25519	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	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01247	18.7
60.01563	0.3
61.98698	5.6
63.60169	0.2
69.30254	0.8
69.30685	0.9
71.01244	2.0
72.99177	0.4
73.02827	0.4
75.00738	0.4
80.96381	0.2
83.01230	0.6
85.02799	0.7
87.00741	0.4
88.98686	0.4
89.02310	1.2
93.03318	0.4
95.01255	0.5
96.95889	0.9
97.02853	0.3
101.02319	1.7
108.02025	0.2
108.30022	0.2
109.02830	0.6
110.03191	0.2
111.70138	0.2
113.02327	1.6
116.92745	0.2
117.03326	0.2
117.05473	0.3
119.03347	1.0
119.04871	0.4
122.15735	0.2
123.04365	0.4
125.02323	1.8
130.20258	0.2
131.04831	0.2
134.03581	0.3
135.02876	0.4
135.04408	0.6
137.02313	0.7
139.03862	0.2
145.02820	0.5
147.04439	0.3
149.02350	0.3
149.05992	2.3
150.03206	0.2
150.06268	0.2
151.00250	0.3
151.03894	0.3
159.04478	0.3
161.02332	1.2
161.04387	0.4
162.02847	0.2
163.03894	0.4
164.01062	0.3
165.01849	0.4
165.05438	0.2
169.01347	1.0
171.10117	0.3
173.02312	0.5
174.03151	0.5
175.03886	1.7
177.01814	0.3
179.03442	0.4
187.03987	0.4
189.01845	2.2
189.05411	0.2
190.02635	0.3
191.05487	0.7
193.04996	1.0
195.06505	0.4
197.04411	0.2
201.11267	0.4
207.10017	0.2
209.11719	0.9
211.23856	0.2
220.61256	0.2
243.02853	0.3
271.02557	0.3
271.05911	0.4
289.07220	0.7
299.02008	0.2
300.02731	0.2
300.99884	0.4
316.02338	0.3
327.21985	0.3
379.08469	0.3
393.28000	0.3
395.29599	0.2
397.11139	0.4
401.15903	0.2
411.28467	0.9
423.28940	0.5
427.08179	0.6
443.31750	0.7
455.27991	0.5
477.62628	0.2
485.32703	0.6
487.30786	0.2
501.32108	0.4
502.32471	0.7
503.33749	100.0
504.34109	14.7
513.32410	0.3
517.34906	0.7
545.34845	2.5
546.35498	0.3
665.38464	1.0
725.31421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94901	0.3
57.03318	0.5
59.00954	0.6
59.01248	12.2
62.76240	0.4
63.15612	0.3
69.03323	2.1
70.99530	0.6
71.01254	2.4
71.04896	0.7
73.02806	0.6
83.04893	0.8
85.02817	0.7
85.06485	0.6
87.00745	0.6
89.02309	2.0
95.01300	0.3
95.04913	0.4
101.02316	2.6
109.06474	0.5
111.08051	0.7
113.02323	1.6
119.03394	0.7
139.77284	0.3
145.05032	0.6
146.73419	0.3
149.09639	0.7
152.11649	0.3
153.12804	0.3
161.04446	1.1
161.13293	0.3
167.10684	3.0
169.12253	1.3
177.12700	0.5
179.10663	1.4
179.14320	3.9
195.13843	9.9
196.14194	0.6
197.11760	14.7
198.12068	0.8
205.12283	9.4
206.12631	0.7
223.13339	100.0
224.11584	0.6
224.13680	7.0
235.08203	2.7
247.20673	0.3
253.09276	5.7
254.09483	0.4
291.19614	1.4
309.20718	4.5
310.20966	0.5
322.05295	0.3
411.25659	0.7
429.26297	0.8
433.20596	0.7
441.21191	2.3
459.22333	14.1
460.22681	2.0
463.02646	0.3
621.32611	0.7
647.34216	2.1
648.34583	0.8
665.35327	2.2
666.36090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.4
59.01251	6.6
61.98705	7.3
70.33628	0.7
71.01252	6.8
71.41861	1.5
73.02820	1.5
73.06895	0.7
75.00736	0.9
78.95757	2.4
80.50863	0.7
83.01241	1.7
83.04884	1.5
85.02807	2.3
87.00763	1.7
89.02316	4.5
95.04877	1.3
97.06470	6.7
99.00756	1.1
101.02313	7.0
107.74300	0.7
113.02305	2.8
116.92705	1.2
119.03388	1.7
123.08067	0.8
125.02342	1.6
151.11180	18.5
152.99422	0.8
155.10686	0.9
161.04437	1.9
162.12468	0.8
169.12250	72.5
170.12550	2.9
171.10193	1.9
185.11722	2.5
186.91736	0.8
195.10170	2.0
195.13841	6.7
197.11809	3.9
205.12277	1.0
209.11757	7.6
211.13272	1.3
212.13594	0.9
213.11247	13.1
223.13399	4.8
227.12865	1.1
235.08121	2.5
253.09283	7.3
275.20178	4.0
279.19626	9.7
289.18060	0.9
293.21216	35.2
293.24539	1.9
294.21548	2.6
309.20685	0.9
345.38940	0.8
354.16629	0.8
431.18854	3.6
449.20328	7.7
707.39435	1.3
725.41107	100.0
726.41443	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
58.49520	0.3
59.01244	4.4
61.98703	6.2
63.99123	0.4
66.95642	0.3
69.03290	0.3
71.01253	2.8
71.49672	0.6
78.95773	0.4
80.96409	0.4
83.01266	0.4
83.04893	0.9
85.02834	0.8
87.00771	0.8
89.02310	3.1
91.03905	0.3
95.01282	0.4
95.04957	0.4
101.02331	3.1
102.16772	0.3
113.02311	2.2
113.09600	0.3
119.03400	0.7
125.02304	0.4
131.03380	0.4
145.04936	0.4
152.99477	0.6
156.01645	0.3
161.04439	1.5
163.11229	0.7
163.66638	0.3
165.12791	0.7
167.14407	0.7
177.12772	0.4
179.05540	0.4
179.14240	0.5
181.12273	0.3
183.13831	5.7
184.14316	0.3
193.12297	1.2
195.13857	4.5
196.14215	0.5
196.33823	0.3
205.12383	0.4
209.11774	18.6
210.12080	0.8
211.13332	100.0
212.13676	4.4
223.13297	3.3
225.11409	0.4
227.12808	1.7
228.13487	0.7
235.08195	3.2
253.09253	14.0
254.09608	0.5
256.12991	0.5
268.45959	0.4
275.20169	4.0
277.21719	9.9
278.22049	0.8
281.21149	0.4
293.21213	59.7
294.21494	4.2
295.22568	0.4
351.26480	0.3
400.72476	0.3
408.42538	0.3
425.52164	0.3
447.22351	4.3
448.22406	0.5
487.34045	0.4
529.30469	0.7
723.42920	0.5
741.87543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10623	0.2
55.01733	0.2
57.03323	0.3
58.00470	0.2
59.01250	3.9
70.52577	0.6
71.01245	3.7
72.99177	0.3
73.02813	0.8
80.02538	1.1
80.34711	0.2
81.03329	0.8
83.01248	0.5
83.04898	3.5
84.02039	0.5
84.19092	0.2
85.02817	1.1
87.00748	0.9
89.02309	1.9
91.03938	0.2
91.09437	0.2
95.01234	0.2
95.04930	0.4
97.02830	0.3
98.19843	0.2
99.00745	0.4
101.02321	2.7
105.97059	0.2
109.06583	0.2
113.02329	1.5
119.03381	0.5
125.06008	0.3
133.04941	0.2
135.08049	0.6
143.03421	0.4
145.04988	0.5
147.11717	0.4
161.04474	1.2
163.11205	2.3
165.12799	1.2
166.13162	0.2
179.05432	0.2
181.12238	0.5
191.10706	0.6
205.19412	0.2
207.10295	0.2
209.11766	78.6
210.12091	4.6
227.12831	9.5
228.13161	0.5
233.22742	0.3
235.08199	4.9
236.08537	0.3
253.09250	9.3
254.09615	0.4
259.20337	0.2
275.20200	0.3
277.21707	100.0
278.22046	8.7
327.30637	0.2
445.20657	0.3
513.30750	0.2
581.07965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.4
61.98428	1.2
61.98702	10.8
65.40618	1.2
78.95774	51.0
80.02536	2.3
83.04890	7.6
84.02016	2.0
95.04836	1.1
96.96847	5.7
110.54700	1.3
113.09603	2.1
123.06497	1.2
134.98430	1.3
152.99487	58.8
154.83298	1.3
163.11232	6.0
165.12714	4.2
171.00507	5.2
195.13756	2.5
209.11772	100.0
210.12073	6.4
223.13300	1.5
227.03168	3.8
227.12924	7.9
234.20496	1.3
241.01219	1.1
253.21712	16.8
254.22130	1.9
293.21222	9.4
294.21350	2.1
363.11923	2.8
395.14804	2.3
429.20526	7.6
437.15726	4.1
447.21271	2.3
455.16980	8.0
469.18033	1.3
487.19492	65.3
488.19867	5.9
691.38745	6.1
723.40948	53.0
724.41309	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	723.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77639	0.4
53.85515	0.4
55.61206	0.4
59.01237	1.0
60.45169	0.4
61.98700	4.9
62.96261	0.9
70.86953	1.0
78.95773	100.0
82.68733	0.4
96.96841	8.9
109.78654	0.4
115.59723	0.4
134.98407	2.2
141.39714	0.4
150.97945	0.7
152.99492	56.8
153.99857	0.6
154.07869	0.5
171.00543	0.8
181.12250	0.7
195.13846	10.9
196.14317	0.6
205.12317	0.5
209.11800	3.5
211.13319	0.9
223.13361	6.1
227.12871	0.8
228.13472	0.8
231.21260	0.4
251.73213	0.5
256.13098	0.6
275.20206	3.9
276.20624	0.5
277.21738	0.9
279.23169	0.8
293.21213	47.0
294.21585	3.4
424.74203	0.4
429.20453	44.3
430.20886	4.4
447.21503	12.2
448.21643	1.4
487.19363	1.9
545.34027	0.5
654.35699	0.5
723.42340	45.1
724.42694	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.1
57.03317	0.1
58.00476	0.2
58.79752	0.1
59.01243	2.5
61.98691	0.1
64.80074	0.1
69.03315	0.1
71.01242	2.4
71.04897	0.1
72.99177	0.2
73.02817	0.4
76.17189	0.1
78.95786	0.4
80.02538	1.1
81.02881	0.1
81.03323	1.1
83.01229	0.4
83.04890	4.4
84.02032	0.6
85.02816	0.7
87.00746	0.4
89.02314	1.9
93.04575	0.1
94.91250	0.1
95.01273	0.2
95.04890	0.6
97.02805	0.2
97.06461	0.3
99.00742	0.2
101.02316	2.0
103.03926	0.1
109.06480	0.3
111.08029	0.1
113.02328	1.2
119.03386	0.4
125.02347	0.1
125.05974	0.4
125.09574	0.2
127.07584	0.1
131.03401	0.3
133.04976	0.1
135.08057	0.5
136.08301	0.1
143.03418	0.2
145.04967	0.1
147.11653	0.2
152.99500	0.2
153.12601	0.1
161.04477	0.8
163.11191	3.5
164.11531	0.2
165.12750	2.2
166.13016	0.2
171.10173	0.1
179.05531	0.3
181.12228	0.5
183.13763	0.1
191.10672	0.9
195.13770	0.1
206.70851	0.1
207.10260	0.2
209.11752	100.0
210.12096	6.0
211.13292	0.5
227.12817	10.2
228.13065	0.4
233.22752	0.1
235.08153	1.1
253.09229	7.1
254.09636	0.3
259.20679	0.2
275.20053	0.2
277.21689	46.8
278.22043	4.0
279.23077	0.1
293.21310	0.5
294.21432	0.1
393.34827	0.1
429.03061	0.1
445.20721	0.9
446.20889	0.1
463.21640	0.1
723.41785	0.2
724.41187	0.1
736.25690	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	723.396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35058	0.3
54.44580	0.3
59.01249	3.0
60.99177	16.1
61.02866	0.4
61.98698	6.5
71.01252	0.8
71.50807	0.8
72.99171	0.7
75.00740	0.7
78.95769	3.8
85.02802	0.4
87.00740	2.6
88.00275	2.9
88.98676	100.0
89.02313	24.8
89.99030	1.0
96.95894	0.5
101.02319	0.5
107.65692	0.4
113.02341	0.4
152.99451	0.6
161.04395	0.5
171.00502	0.4
174.03026	0.4
175.03935	0.5
188.07028	0.4
197.11705	0.6
205.15953	0.8
209.11768	1.4
211.13394	0.4
244.12004	0.4
274.20337	0.4
300.99973	0.7
355.24893	0.7
388.69547	0.5
501.32092	6.8
502.32776	1.0
723.35358	2.4
724.36755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
60.99176	16.0
61.98701	8.9
69.69841	0.3
71.01250	0.7
71.50722	0.5
72.99194	0.3
73.02810	0.4
75.00748	0.6
78.95776	2.3
80.96410	0.4
85.02856	0.3
87.00751	2.3
87.17784	0.2
88.00272	2.1
88.98678	100.0
89.02315	17.6
89.99001	1.0
97.06463	0.3
101.02306	0.4
125.02309	0.5
152.99454	1.0
175.03853	0.4
191.05458	0.3
197.11751	0.8
209.11810	0.8
211.13335	0.4
237.66637	0.3
240.32281	0.3
273.00485	0.3
301.00018	0.3
325.23828	0.4
501.32065	1.1
723.32709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
57.03610	0.2
57.73076	0.3
59.01250	28.1
60.01563	0.3
61.98388	0.5
61.98702	10.4
71.01252	2.4
71.51739	0.4
72.99162	0.7
73.02809	0.5
74.98939	0.6
75.00742	1.5
78.95776	0.5
80.96376	0.3
83.01228	0.4
85.02816	1.0
87.00731	0.6
87.04362	0.4
88.98686	1.4
89.02297	1.4
89.51214	0.3
90.21376	0.3
93.03308	0.4
95.01237	0.3
95.04939	0.3
96.95886	1.3
97.02756	0.3
99.04380	0.5
101.02333	1.4
108.02036	0.3
108.50310	0.3
109.02827	0.7
111.00775	0.4
113.02319	1.2
116.92747	0.4
117.03371	0.3
119.03362	0.8
121.02824	0.4
123.04345	0.3
125.02325	1.1
133.02795	0.3
135.04442	0.6
135.61322	0.3
136.99046	0.5
137.02379	0.5
145.02789	0.3
149.05940	0.7
150.03123	0.4
151.03894	0.3
161.02287	0.8
161.04521	0.5
163.03931	0.7
165.01904	0.3
165.05428	0.4
169.01357	0.7
171.10155	0.4
173.04520	0.3
173.75638	0.3
174.03145	0.5
175.03951	2.8
177.01884	0.8
179.03340	0.4
189.01834	0.8
190.02664	0.3
191.05553	0.8
193.05055	0.5
209.11763	0.4
215.03409	0.3
256.39377	0.3
270.98941	0.3
289.07150	0.4
293.04745	0.4
298.98178	0.6
299.99170	0.3
301.00027	1.3
399.28973	0.4
399.89923	0.4
407.29532	0.5
425.26770	0.4
438.38544	0.3
439.31818	0.4
453.30069	1.6
454.30469	0.5
455.31561	5.7
456.31967	1.1
457.33115	1.8
471.31100	2.1
483.31204	4.0
484.31589	0.7
495.31192	0.8
501.32214	100.0
502.32544	14.9
515.07446	0.3
515.33734	0.5
543.33118	0.8
573.34387	0.4
663.37256	0.9
664.37244	0.4
723.10236	0.7
723.31470	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	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83695	0.3
59.01249	33.6
60.01567	0.5
60.99174	0.3
61.98704	6.5
66.12646	0.2
69.26117	1.6
69.26540	1.0
71.01248	1.6
72.99172	1.1
75.00742	4.0
80.96368	0.2
85.02790	0.6
87.00736	0.4
88.98664	0.4
89.02308	0.9
92.07279	0.2
96.95844	0.5
98.20541	0.6
101.02325	0.9
109.02825	0.3
113.02322	0.6
125.02328	0.3
149.06009	0.3
161.02350	0.4
161.04443	0.8
169.01311	0.4
174.03101	0.4
175.03932	1.2
201.35199	0.3
202.02655	0.7
209.11810	0.5
219.06712	0.3
270.10239	0.3
301.21527	0.4
359.83948	0.3
376.05820	0.6
377.06595	0.3
435.28955	0.8
441.30011	0.5
453.30078	16.5
454.30670	2.4
455.31802	0.5
471.31180	10.8
472.31763	1.5
483.31027	3.0
484.31592	0.5
485.33160	0.4
495.31107	1.0
501.32184	100.0
502.32507	17.3
513.32422	0.7
525.32245	0.4
615.35480	1.6
616.35675	0.6
633.36627	0.6
645.36334	2.4
646.36377	0.8
663.37323	1.2
664.38416	0.4
723.37628	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	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38979	0.2
57.03315	0.3
57.61597	0.2
58.00475	0.2
59.01248	25.4
60.01565	0.3
61.98697	3.2
66.10463	0.2
66.44991	0.2
71.01252	2.5
71.04894	1.1
71.51495	0.3
72.99177	0.5
73.02810	0.2
73.41059	0.2
74.43332	0.2
75.00736	1.1
80.96382	0.3
81.03317	0.2
83.01254	0.4
85.02816	0.6
87.00713	0.3
88.98675	0.8
89.02322	1.1
95.01232	0.2
96.95880	0.7
97.06435	0.4
101.02325	2.2
106.30843	0.2
109.02818	0.4
113.02352	1.3
119.03370	1.1
121.02827	0.3
123.04410	0.2
125.02373	1.0
126.58235	0.2
132.59306	0.2
133.02817	0.4
135.02864	0.3
135.04405	0.6
137.02339	0.4
143.03291	0.3
147.71370	0.2
149.02356	0.2
149.06012	0.3
150.03078	0.4
151.03888	0.3
160.01515	0.3
161.02342	0.9
161.04433	0.6
163.03870	0.4
165.05457	0.2
169.01265	0.5
174.03180	0.5
175.03882	1.2
177.01921	0.4
177.05168	0.2
177.58505	0.2
178.02545	0.2
179.03348	0.2
189.01871	0.3
189.37206	0.2
190.02611	0.4
191.05498	0.5
201.11237	0.4
209.11761	0.7
239.79280	0.2
243.17555	0.6
250.14262	0.2
283.10986	0.4
287.16501	0.8
289.07101	0.3
290.54071	0.2
300.02817	0.2
301.00027	0.3
301.17865	0.3
375.27161	0.5
391.30405	0.3
393.27798	1.5
435.28735	0.3
437.27066	0.9
451.28842	0.4
453.30200	1.9
454.30716	0.3
455.31543	0.4
471.31088	0.4
472.31961	0.2
483.31470	0.3
495.31213	2.9
496.32053	0.3
501.32193	100.0
502.32535	17.6
515.33850	0.5
543.33319	0.5
663.37762	0.6
723.29456	0.4
723.41425	0.4
724.39984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01249	1.8
69.42384	1.8
71.01251	2.3
72.99183	0.4
73.02808	0.4
82.15340	0.3
83.01266	0.4
85.02818	1.0
87.00740	1.2
89.02303	1.8
91.01756	1.4
93.03339	0.9
95.01247	0.4
96.95853	0.4
98.19872	0.7
101.02327	1.0
109.02862	0.3
113.02338	1.7
113.52664	0.3
117.03358	0.9
119.01276	6.0
119.04933	0.3
121.02850	0.8
123.00683	0.4
123.04398	0.7
125.02370	2.4
132.02097	3.0
133.02808	1.0
133.53975	0.4
134.03633	15.4
135.02937	0.5
135.04512	1.7
137.02322	1.0
143.03500	0.3
147.00781	3.8
147.04449	0.7
149.02361	2.9
149.05975	2.4
151.03902	1.2
160.01572	15.6
161.02330	2.0
161.04494	0.3
162.03114	0.8
163.03880	0.4
164.04677	2.2
165.01848	2.2
174.03082	0.6
175.00291	32.3
175.03912	22.2
175.06163	0.5
176.00691	1.2
176.04605	2.0
177.01854	1.1
178.02631	1.0
179.03380	0.9
184.19080	0.3
188.04846	0.4
189.01823	0.9
190.02640	77.2
191.03053	4.6
191.05447	0.5
191.07039	2.4
192.04176	0.3
193.04988	15.4
194.05305	0.5
203.03433	0.5
204.53247	0.3
205.04997	100.0
206.05350	4.8
207.06578	0.6
208.03682	0.4
217.05040	0.9
223.06073	3.1
235.06075	5.0
247.06029	0.4
265.06989	1.6
271.06082	0.4
277.07330	0.6
289.06934	0.5
295.08249	1.9
297.99469	0.3
319.08374	0.4
337.09277	1.0
352.08139	0.5
353.08710	0.4
355.10275	1.1
367.10287	3.1
368.10526	0.4
407.07578	0.6
499.14627	5.5
500.15030	0.5
517.15631	17.9
518.16223	2.0
529.15833	1.1
547.16620	1.1
723.21228	8.8
724.21448	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	723.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94041	2.1
57.03325	4.3
59.01247	7.1
64.12331	1.6
65.00188	2.2
71.01262	6.9
71.51159	2.1
72.99191	2.1
79.14021	1.7
81.03333	4.1
83.01265	5.4
85.02811	4.4
86.13821	1.9
87.00758	3.2
89.02322	3.7
89.03809	2.7
93.03341	18.4
95.01261	3.1
95.04906	5.8
96.95890	3.4
97.02816	9.0
105.03351	13.1
108.02084	2.4
109.02837	29.0
111.00728	2.9
111.04363	8.7
113.02346	3.4
115.50962	1.8
117.01841	1.9
117.03349	3.7
119.04931	3.4
121.02847	7.4
122.09600	2.0
123.04415	22.3
125.02334	32.7
133.02844	100.0
134.03664	18.6
135.02936	4.0
135.04413	22.0
137.02338	46.2
139.03914	10.1
145.02866	6.4
149.02335	10.7
150.03065	2.8
151.00203	3.3
151.03967	11.1
155.03401	6.3
159.04410	9.3
161.02345	58.7
161.05984	9.3
162.02879	4.0
163.00249	3.1
163.03896	3.9
164.01105	3.9
165.01839	6.0
167.03456	3.1
173.04482	19.1
173.05887	3.0
175.03918	8.1
175.07582	3.3
176.01022	3.1
176.04666	4.1
177.01846	93.8
178.02638	31.8
179.03409	18.1
183.04301	2.3
185.05960	3.7
187.03952	8.0
188.04674	4.9
189.01860	5.9
190.02554	3.3
191.05528	7.9
191.07109	2.9
193.04990	24.6
201.01823	2.5
201.05441	3.9
202.06100	2.2
203.03386	3.6
203.07085	11.9
205.01407	3.2
205.05020	10.7
209.06065	2.0
215.03418	3.0
217.01350	3.8
221.08102	2.5
225.05467	2.4
227.03566	4.5
227.07065	5.2
229.01347	3.9
229.05040	19.7
230.05576	2.1
241.04837	2.1
243.06546	3.4
245.08127	16.7
247.06079	2.3
253.04967	2.7
255.06702	3.3
256.03745	4.0
269.04590	5.5
271.06110	57.5
272.06436	5.3
279.06665	2.4
281.04535	4.0
282.05182	2.5
283.06110	4.5
289.07172	85.6
290.07626	3.7
295.06091	2.3
299.05554	2.2
300.99841	5.2
309.04019	2.6
309.07730	2.1
311.05527	5.4
321.04166	3.5
321.07779	5.0
323.05594	7.2
339.05051	12.2
347.56738	2.1
351.07236	8.3
369.09772	66.8
370.10101	6.6
384.08435	1.8
390.09457	2.3
391.08286	2.5
396.34164	2.0
399.10751	7.3
415.07971	3.5
419.07587	10.7
425.47507	2.3
433.09293	26.0
434.09698	3.2
451.10498	10.8
452.10956	2.5
459.07199	4.3
527.13153	2.6
543.15125	2.6
549.16052	2.7
553.11133	14.9
554.11609	3.5
571.12427	32.8
572.12634	5.0
705.15808	2.5
723.19141	40.2
724.18970	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	723.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90651	1.2
57.03326	7.7
57.25936	1.2
59.01243	6.3
61.98699	2.7
69.03323	2.4
71.01247	5.3
71.51385	2.1
73.02825	1.8
75.00739	2.8
81.03336	4.2
83.01246	7.9
85.02808	3.3
87.00750	2.2
89.02346	2.3
89.03848	1.7
93.03309	9.0
95.01270	2.1
95.04911	4.0
96.95893	6.3
97.02847	6.2
97.51492	1.4
101.02314	2.7
108.02074	1.9
109.02829	31.9
110.03237	2.5
111.00753	1.4
117.03337	2.3
119.04911	4.8
121.02838	5.6
122.03643	2.0
123.00716	2.2
123.04406	24.5
125.02339	54.4
126.02688	1.9
133.02824	13.0
134.03645	1.5
135.02882	5.6
135.04424	6.8
137.02342	31.5
139.03941	7.2
145.02824	7.0
145.03894	1.4
147.04398	2.8
149.02348	9.3
150.03091	2.8
151.03896	14.2
157.06419	2.0
159.04427	5.9
160.05203	1.7
161.02356	64.8
161.05917	10.6
162.02980	4.2
163.00298	2.9
163.03912	3.8
164.01039	5.0
165.01814	6.4
165.05423	2.0
166.02422	1.3
167.03378	5.0
169.01410	2.2
173.06142	1.4
174.03177	2.7
175.03918	7.2
175.07457	2.7
176.01022	2.1
177.01843	59.0
177.05386	2.7
178.02106	1.8
179.03471	7.9
179.04761	1.2
179.07074	1.6
181.57074	1.3
185.05945	2.8
187.03934	9.3
188.04701	6.2
189.01874	10.5
190.02661	4.0
191.03494	2.0
191.05521	6.7
199.03917	2.3
199.07512	3.0
201.01846	2.3
201.05519	4.1
202.06293	2.7
203.03453	4.2
203.07056	15.5
205.01410	3.4
205.04958	11.9
211.04028	2.3
212.04655	1.6
213.05603	2.1
215.03365	2.9
217.01349	3.7
221.08191	2.5
225.05426	3.1
227.03494	5.0
227.06953	6.4
229.01337	4.2
229.04997	15.1
230.05728	2.1
231.02980	2.7
231.06641	9.2
241.05019	3.3
243.02979	2.0
243.06641	3.8
245.04489	3.8
245.08156	20.6
247.06003	2.2
255.03152	2.1
255.06650	4.9
257.04263	2.2
269.04529	6.5
271.03052	2.0
271.06091	56.6
272.06525	3.7
275.01859	2.1
277.04932	1.6
279.06680	2.9
281.04446	7.3
283.06082	4.7
287.05695	2.4
289.07159	100.0
290.07404	9.2
291.06610	1.8
293.04401	2.4
295.02621	1.4
299.05731	3.1
299.99240	1.4
300.99884	6.1
301.03271	1.8
301.07263	1.8
305.52209	1.9
307.02716	1.7
308.03232	2.6
310.05042	2.8
311.05521	6.1
321.03995	5.9
321.07739	6.3
323.05539	7.6
329.06741	2.3
339.05002	10.9
341.06656	12.6
369.10007	2.3
375.08255	1.9
389.06006	1.7
391.08325	3.2
407.07037	1.8
409.09317	2.2
415.08200	2.9
419.07697	18.3
420.08548	2.1
433.09229	31.1
434.09433	4.3
435.10782	6.3
445.09137	2.6
451.10352	18.4
452.10483	2.7
459.07159	11.3
460.07520	1.8
485.12790	2.4
501.32150	1.5
527.13782	2.5
529.15375	1.9
553.11438	34.1
554.11682	7.6
571.12329	45.4
572.13062	8.7
597.14246	3.5
646.79260	1.6
705.16559	5.8
723.16846	38.1
724.17212	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	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.0
61.98705	0.7
69.03326	0.4
71.01247	4.4
71.06104	0.8
73.02807	1.0
78.95780	0.6
83.01227	0.6
85.02809	1.1
87.00741	1.2
89.02309	2.9
89.54012	0.4
95.01284	0.9
97.02824	0.6
101.02319	4.1
109.06458	0.7
113.02319	1.6
113.09572	0.4
115.15398	0.4
119.03358	1.4
125.02366	0.4
133.04999	0.6
144.61502	0.4
145.04965	0.5
148.08311	0.4
161.04446	1.8
163.11154	1.0
179.05420	0.7
179.14326	0.4
181.12276	0.7
192.07526	0.4
195.13791	4.1
203.63414	0.3
207.10240	2.3
208.10616	0.4
209.11757	100.0
210.12090	6.2
211.13316	1.3
217.27301	0.4
223.13336	2.9
225.11272	8.3
226.11612	0.6
227.12900	0.4
228.13495	0.5
235.08170	7.5
253.09247	14.0
254.09796	0.5
256.13120	0.8
269.13510	0.4
275.20120	7.6
276.20404	0.6
276.34857	0.4
277.21698	7.2
278.22144	0.9
293.21216	49.9
294.21533	3.9
405.16492	0.4
443.18759	0.7
445.20743	1.2
461.20261	0.8
484.09094	0.4
529.30389	0.8
721.41626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.2
57.03320	0.2
58.00468	0.2
59.01247	2.4
61.98691	0.7
64.55183	0.1
69.03331	0.2
71.01253	2.7
71.01852	0.1
71.50877	0.2
72.99190	0.1
73.02811	0.5
78.95761	0.6
80.02547	0.9
81.03326	0.9
83.01257	0.4
83.04890	3.8
85.02822	0.6
86.00894	0.1
87.00723	0.6
89.02314	1.7
91.03880	0.1
93.03372	0.2
95.01242	0.2
95.04913	0.5
97.02815	0.3
97.06446	0.2
99.00746	0.2
101.02319	2.2
109.06461	0.4
111.08030	0.2
113.02319	1.2
115.03883	0.1
119.03365	0.6
121.10123	0.1
125.02345	0.5
125.05959	0.3
131.03416	0.1
133.04971	0.3
135.08038	0.6
143.03375	0.2
145.04910	0.2
146.15300	0.1
147.11659	0.2
152.99501	0.2
161.02426	0.1
161.04491	1.0
163.11192	3.0
164.11484	0.2
165.12772	1.5
166.12997	0.1
167.10719	0.1
169.12236	0.1
171.10146	0.3
179.05469	0.4
179.14334	0.3
181.12204	0.4
191.10684	0.8
195.13855	2.7
196.14272	0.2
205.12288	0.3
205.15996	0.2
207.10161	0.2
209.11757	100.0
210.12090	6.4
211.13307	0.3
223.13332	2.2
224.13692	0.2
227.12845	0.2
228.13594	0.3
235.08179	3.6
253.09242	10.0
254.09579	0.3
256.13104	0.5
265.21884	0.1
275.20135	3.7
276.20435	0.4
277.21698	0.2
291.19778	0.2
293.21201	34.0
294.21542	3.5
445.20798	1.3
446.20920	0.2
485.32471	0.3
529.30115	0.2
642.21722	0.1
702.67596	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98701	100.0
62.98380	0.1
66.51328	0.1
71.01230	0.2
78.95773	0.3
85.02847	0.1
88.98693	0.4
96.95886	0.1
108.28235	0.1
133.78815	0.1
138.01216	0.1
152.99591	0.1
161.02432	0.1
171.10123	0.1
209.11852	0.2
210.12115	0.1
211.13312	0.1
299.99323	0.1
330.70813	0.1
354.42804	0.1
416.79932	0.1
428.00418	0.1
497.29233	0.2
498.29343	0.7
554.81519	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	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.5
57.03332	1.9
59.01247	18.1
61.98704	66.9
69.03340	1.4
70.84215	3.0
70.84544	2.0
71.01253	83.2
71.04894	1.9
72.99182	2.5
73.02814	5.3
75.00745	6.1
75.93123	1.5
78.95781	5.4
80.02549	1.5
80.96400	4.3
81.03320	2.9
83.01260	2.3
83.04894	4.5
84.02061	1.3
85.02818	4.0
87.00748	3.7
88.98670	2.9
89.02322	5.4
93.03348	1.3
95.04910	2.3
96.95888	4.6
97.02836	5.4
97.06496	1.5
99.00777	3.8
101.02331	7.4
101.49828	1.2
109.02862	2.3
109.06474	10.2
111.07859	1.3
113.02323	4.7
116.92738	3.1
117.03317	1.9
119.03377	2.4
119.04912	1.7
121.02871	1.4
123.04423	3.2
125.02363	5.3
125.09630	3.0
135.04419	1.9
135.08060	4.3
145.02867	3.5
150.03119	2.1
152.99500	1.4
158.03647	5.1
159.04308	3.4
161.02396	2.6
161.04483	3.0
162.75127	1.4
163.03905	3.0
163.11200	13.4
165.01784	2.5
167.03470	1.7
169.01355	3.0
171.10176	19.5
174.03116	2.2
175.03926	10.6
177.01871	1.6
179.05511	2.5
181.12299	7.6
185.11792	2.6
189.01859	3.7
191.05554	3.3
199.13329	5.8
201.05524	1.6
201.11223	7.9
202.02638	25.2
203.03148	2.6
205.05025	2.0
207.10202	29.2
209.11772	100.0
210.12082	5.4
215.12901	1.8
216.00468	1.6
218.04797	2.0
218.54774	1.4
223.09653	1.5
223.13297	1.7
225.11261	30.4
226.11652	2.5
227.12857	12.0
233.05309	4.3
233.55423	2.5
235.08170	4.6
243.12334	5.8
253.09232	8.8
255.23241	1.5
262.99234	1.5
279.86209	1.6
286.29196	1.7
295.10522	2.0
300.99969	2.8
321.07428	1.6
325.36563	1.6
337.23682	3.4
353.23288	1.5
389.25439	2.3
395.08740	2.9
395.58835	2.7
399.21945	2.8
461.20078	6.9
479.21753	1.7
487.34467	1.7
499.30795	9.8
624.13037	1.5
635.29584	1.6
653.31830	2.4
671.32947	4.0
689.33948	9.1
690.34692	1.6
721.34851	39.0
722.35724	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	719.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01247	7.4
61.91162	0.5
61.98701	35.8
66.90897	0.5
69.03349	0.8
71.01255	8.6
71.04908	0.7
71.51078	0.8
72.99194	0.6
73.02819	1.9
75.00747	1.7
76.98434	0.6
78.95782	1.6
78.98483	0.8
79.95612	0.9
80.02563	1.3
80.96394	4.3
81.03337	2.0
83.01250	3.0
83.04891	4.8
84.02045	1.3
85.02825	2.3
87.00731	1.1
88.98689	1.9
89.02316	3.9
93.03329	1.2
94.97990	0.8
95.04895	0.7
96.95892	3.2
97.06461	1.1
99.00780	0.9
99.04391	0.7
101.02316	4.7
104.05376	0.5
109.02832	1.5
111.00771	0.7
111.08136	0.5
113.02323	2.4
119.03415	1.2
120.99523	0.6
121.52719	0.5
123.00802	0.9
123.04398	1.2
125.02321	4.5
125.09650	3.2
127.11160	1.1
135.02870	0.6
135.04472	0.7
135.08075	1.0
137.02299	0.7
140.01045	0.6
149.02367	0.8
150.03172	0.6
150.34607	0.5
151.00253	0.9
153.05510	0.8
161.02408	1.1
161.04463	1.9
163.03969	1.1
163.11160	3.9
164.11565	0.5
164.98540	0.7
165.05504	0.8
165.12726	2.8
168.00508	0.6
169.01373	3.4
169.12296	0.6
171.10172	2.8
174.03149	1.4
175.03929	9.1
179.03430	0.7
179.05453	1.0
181.12271	1.1
189.01920	0.6
190.02594	0.7
191.05522	0.6
191.10779	2.5
195.06525	0.8
197.11761	0.7
202.02492	0.6
208.64105	0.6
209.11772	100.0
210.12120	6.5
211.02376	1.3
215.04164	2.0
215.54269	1.1
218.04768	2.1
223.13393	1.2
224.04768	5.5
224.54951	1.0
225.00699	0.8
226.11736	0.6
227.12840	11.0
228.13219	0.6
233.05280	9.1
233.55438	1.2
235.08154	3.9
241.14510	1.0
243.16093	1.1
253.09247	14.5
255.04839	1.6
271.04620	0.9
273.17065	82.4
274.17416	5.7
293.21201	6.6
300.99988	0.7
314.06036	2.0
314.56027	0.9
315.35172	0.5
336.07159	0.9
351.08942	1.5
351.21878	0.9
351.48477	0.5
390.53183	0.6
395.08853	6.2
395.58929	2.2
439.31131	0.6
445.20566	1.0
465.06747	0.7
465.28485	1.7
509.25992	0.7
525.12756	0.6
719.27661	3.8
719.40216	1.6
720.27930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03321	1.3
59.01239	5.7
59.38835	0.4
61.77920	0.4
61.98703	6.2
64.85049	0.4
69.03328	4.6
69.05997	0.4
69.62944	2.9
71.01246	5.1
71.04886	1.8
73.02814	1.3
74.28559	0.5
75.00756	0.6
75.54281	0.4
80.02548	0.9
80.96378	0.5
81.03332	1.5
82.49111	0.4
83.01262	1.0
83.04884	5.2
84.02047	1.6
85.02826	1.8
87.00743	1.3
89.02305	3.1
95.01266	0.8
95.04893	1.0
96.95928	0.7
97.02822	1.1
97.06499	1.2
99.00750	0.8
100.01050	0.5
101.02319	4.6
104.19674	0.5
109.06499	0.6
111.08079	0.5
113.02334	2.6
119.03389	0.8
123.08047	1.3
125.02367	1.0
125.05949	0.5
125.09577	2.9
135.08086	0.6
151.11160	3.5
152.84659	0.4
153.12732	1.4
161.04488	1.2
161.09612	3.3
163.11220	3.9
165.12767	1.7
179.10707	7.5
180.10933	0.5
181.12274	0.6
191.10757	1.0
197.11754	70.9
198.12125	3.5
209.11763	63.6
210.12071	3.7
223.09752	1.0
225.11145	0.5
227.12840	4.3
235.08090	0.8
241.10733	3.6
253.09212	2.8
444.96014	0.4
466.74084	0.5
470.14459	0.6
477.19882	2.2
478.20337	0.5
566.16693	0.5
662.04816	0.5
687.32269	100.0
688.32556	22.1
696.56714	0.6
719.34857	22.8
720.35608	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	718.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02884	0.1
59.01236	0.2
61.98699	100.0
62.98399	0.2
71.15057	0.2
78.95784	0.4
89.02306	0.1
102.32546	0.1
109.28725	0.1
117.11148	0.1
152.99481	0.3
155.70844	0.1
171.10149	0.2
197.11844	0.4
209.11795	0.5
211.13361	0.3
221.70284	0.1
234.48758	0.1
246.02068	0.1
269.08472	0.2
293.21234	0.7
295.22815	0.3
307.12000	0.1
329.23434	0.1
523.33411	0.1
652.99536	0.1
718.39612	0.6
719.39514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.2
61.98683	2.1
65.37326	0.8
71.01252	10.5
71.52043	1.6
72.99207	1.0
73.02815	2.2
77.97685	0.9
80.96401	1.8
81.03307	2.6
83.01244	3.4
83.04884	7.3
84.02041	1.8
85.02812	3.0
87.00742	8.5
89.02314	6.1
93.03323	1.1
95.04914	0.9
96.95867	1.2
97.06488	1.3
101.02326	7.6
111.00736	1.3
113.02325	3.6
115.00253	8.1
119.03348	1.1
125.02312	1.7
135.04436	1.1
139.00238	2.5
147.11655	1.2
151.11177	3.4
153.12715	2.3
157.01341	4.0
161.04443	3.0
163.03909	1.2
163.11194	6.1
165.12756	4.4
169.12247	40.0
170.12625	1.4
174.03279	1.2
175.02394	14.1
175.03763	1.6
179.05450	1.3
191.10733	1.3
197.11760	76.5
198.12148	4.4
199.80937	1.0
209.11771	100.0
210.12108	8.3
223.09703	1.0
227.12839	9.0
243.37991	1.1
253.09244	5.2
687.32245	82.6
688.32599	15.7
719.34918	72.0
720.35364	17.8
744.00885	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	718.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.1
61.98698	100.0
62.65139	0.1
62.98397	0.2
70.73223	0.1
71.01277	0.1
71.50878	0.1
78.95769	0.4
80.96349	0.1
113.09618	0.1
119.44543	0.1
125.02383	0.1
135.08020	0.1
152.99445	0.1
159.70886	0.1
171.10211	0.2
187.78378	0.1
195.13800	0.1
197.11874	0.1
201.11273	0.1
209.11760	0.4
210.12157	0.2
211.13396	0.2
225.11188	0.1
227.12901	0.1
251.07076	0.1
269.08286	0.1
293.21265	0.2
295.22736	0.2
299.99481	0.1
300.99982	0.1
327.21747	0.1
341.06778	0.1
350.80841	0.1
565.93793	0.1
718.39594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65386	1.0
54.71309	0.8
57.25692	0.7
57.28951	0.8
59.01252	6.0
60.27603	0.9
60.99151	0.9
61.98699	32.4
62.87527	0.8
71.01228	4.1
78.95770	3.4
79.95592	1.0
83.04891	3.4
85.02840	1.4
87.00734	2.5
88.98670	2.3
89.02306	2.5
93.03330	1.0
95.01248	1.0
96.95880	4.1
101.02307	3.0
106.83311	0.9
113.02311	2.5
123.04295	1.0
125.02335	1.9
135.04443	0.8
151.00168	1.2
152.99461	2.0
161.02325	1.1
163.11203	2.2
165.12753	1.4
169.01408	1.0
171.10155	4.2
174.03119	1.5
175.03943	3.3
183.13817	5.9
193.12204	2.1
197.11729	1.3
201.11111	0.9
202.99573	0.9
206.40688	0.9
209.11761	66.9
210.12045	3.4
211.13335	100.0
212.13756	5.9
221.06131	1.0
223.13332	1.4
227.12837	11.5
235.08099	3.3
253.09268	7.2
255.03030	1.1
255.22946	0.9
271.15469	3.8
301.62698	0.8
327.06339	0.9
329.04529	2.7
340.59424	1.0
432.90979	0.9
445.20215	1.1
447.22333	8.5
448.22708	1.4
627.51581	0.9
717.37677	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03380	0.7
58.00509	0.7
59.01327	3.7
59.08379	0.6
61.98428	1.9
61.98778	16.5
69.03387	1.3
71.00906	1.2
71.01338	14.2
71.04976	3.7
71.51859	1.1
71.58551	0.5
72.01702	1.2
72.02122	4.7
72.99240	0.7
73.02477	1.0
73.02906	2.9
73.68432	0.6
80.28157	0.5
81.03419	1.5
82.04823	0.5
83.01333	0.8
84.02127	1.0
85.02895	1.3
87.00835	0.6
88.98741	0.7
89.02417	1.7
92.09431	0.5
93.03412	1.3
95.01352	0.8
96.95993	5.5
97.02916	1.3
99.00856	0.8
99.03508	1.7
99.03806	2.9
99.04391	46.8
100.04820	0.9
101.02416	1.8
106.04225	0.8
107.04904	11.4
108.02158	1.2
109.02925	1.7
111.00873	0.8
113.02425	0.8
115.00406	0.5
119.04969	0.8
120.99542	13.6
121.02970	1.8
123.04534	1.8
125.02458	3.8
133.02930	1.3
134.03755	0.8
135.04427	3.3
135.47849	0.6
137.02496	1.7
139.00424	0.7
145.02925	1.0
147.04544	0.8
149.02420	1.3
151.00401	0.9
151.04053	2.3
153.01950	0.6
161.02400	1.4
161.06108	1.4
163.04024	1.9
165.01956	1.5
165.05597	1.4
167.03539	1.1
169.01414	1.3
173.04581	0.6
175.04054	2.1
177.02005	0.7
177.05687	0.8
179.07059	19.5
180.07552	1.0
183.10316	0.9
191.03589	0.6
191.05533	0.7
197.04565	0.7
205.08731	3.6
209.11948	2.3
213.05664	0.7
224.04112	0.7
242.05789	1.0
253.08929	0.6
255.06589	4.6
256.07446	1.4
257.08261	1.4
269.08264	1.1
271.06268	1.5
271.09894	1.7
281.08157	0.6
283.06229	1.4
284.07050	1.2
285.04224	1.4
285.07697	1.3
286.08527	1.2
289.07135	0.8
295.09927	1.6
298.08502	5.2
299.09222	7.6
300.09872	1.6
300.99927	2.5
301.03336	1.2
301.10919	1.9
309.07956	0.6
313.10800	19.7
314.11520	2.3
323.09290	1.1
324.03128	0.8
325.03604	1.1
325.10922	2.0
327.08661	1.3
327.12216	1.0
332.09195	1.7
339.12527	0.8
341.10504	1.8
342.11053	16.8
343.11462	2.2
347.05331	0.6
355.25052	1.4
357.13416	47.6
357.26300	1.5
358.13806	7.3
369.13513	0.8
373.12787	0.8
373.25516	0.7
375.27649	1.2
379.08502	1.1
413.15991	0.9
475.17538	2.2
519.20197	32.4
520.20740	5.2
537.21259	100.0
538.21545	17.7
561.92908	0.7
608.77643	0.6
681.26959	9.9
682.27032	2.8
699.28003	22.3
700.28931	5.0
717.28973	22.9
718.29681	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	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98701	4.8
70.82936	1.7
77.57033	0.7
78.95792	2.4
83.42432	0.7
84.87695	0.7
107.81281	0.6
112.06332	0.8
153.59680	0.7
182.29713	0.7
209.11736	2.6
218.09871	0.6
255.23302	1.7
277.21680	3.4
278.22089	1.3
311.22348	1.4
374.70334	0.7
415.32953	0.7
438.09470	1.6
453.12112	2.6
455.16949	1.0
457.18655	1.6
459.16733	1.7
461.32242	0.8
469.18622	1.0
481.11633	3.0
482.11588	0.8
495.16965	1.4
496.13809	12.6
497.14291	9.9
498.15460	2.2
509.14624	1.1
510.15152	4.4
511.15979	8.5
512.16528	2.9
513.17981	3.4
514.17822	0.8
523.16272	1.5
528.13391	1.0
530.14374	1.5
539.18823	1.4
542.14056	1.0
544.15839	5.4
545.16772	2.1
551.15613	0.9
553.17218	0.8
567.18744	11.0
568.18933	2.5
570.17804	1.3
571.18243	12.2
572.18359	2.4
583.18604	1.3
589.19269	1.6
597.20050	1.7
598.20728	3.8
599.21515	35.1
600.21735	8.4
602.16504	2.1
625.19421	1.1
630.19305	2.7
631.20721	1.0
657.22015	17.5
657.33813	1.0
657.37860	1.0
658.22406	4.9
717.24139	75.5
718.24414	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
57.82762	0.3
59.01252	1.5
61.98702	12.8
71.01250	1.0
71.51753	0.2
73.02810	0.3
75.00742	0.4
78.95789	0.4
85.02834	0.6
87.00761	0.3
88.98631	0.3
89.02318	0.6
93.03357	0.4
95.01242	0.2
96.95885	1.1
101.02313	0.8
108.02032	0.3
109.02851	0.9
113.02309	0.5
119.03467	0.2
120.99540	100.0
121.99905	1.4
123.00735	0.3
123.04390	0.3
125.02335	2.0
133.02831	0.3
135.02878	0.4
135.04405	0.6
136.01605	0.4
137.02341	0.7
139.00296	0.2
145.02872	0.3
148.30583	0.2
149.02354	0.3
150.03127	0.6
151.00340	0.4
151.03914	0.6
153.01849	0.4
153.05496	0.3
160.01543	0.3
160.05190	0.2
161.02367	0.6
161.04520	0.5
163.03896	0.4
164.74805	0.2
165.01865	0.7
165.05473	1.0
167.03374	0.2
169.01361	1.3
171.10193	0.2
173.02339	0.3
174.03093	0.4
175.03914	1.5
176.04286	0.2
177.01816	0.5
179.03336	0.3
183.10234	0.2
191.05519	0.6
192.99617	0.6
193.04892	0.2
197.04604	0.3
201.01851	0.3
209.11723	0.4
222.13087	0.3
229.01401	0.3
241.05440	0.8
249.03976	0.4
249.35851	0.3
250.31859	0.2
259.02414	0.4
269.08136	0.3
271.02393	0.4
275.01920	0.9
276.85858	0.3
285.04114	0.4
289.07275	0.4
298.98697	0.3
299.01950	0.3
299.98959	0.5
300.99960	2.3
302.00323	0.7
315.05280	0.3
327.12671	0.2
329.10550	0.3
350.54065	0.3
357.26389	3.5
359.28119	0.7
375.27673	0.7
376.80084	0.3
379.08502	0.3
395.42303	0.3
447.08817	0.3
491.21201	0.6
493.18704	0.3
537.21161	0.3
699.28546	0.5
717.34296	0.5
718.25635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.1
60.16663	0.4
61.98696	8.3
63.02260	3.8
65.00190	6.2
66.18687	0.5
71.01241	2.3
71.31388	0.5
71.31712	0.5
79.95598	0.9
83.01253	4.5
89.02317	1.3
93.03325	0.7
95.01254	0.5
96.95882	8.5
101.02318	1.0
107.01272	12.0
107.04902	0.5
109.02814	1.1
113.02354	0.6
119.04921	0.7
121.02834	6.9
123.04359	1.0
125.02334	2.5
132.02081	1.1
134.03601	1.8
135.02939	0.6
135.04501	1.2
137.02307	1.5
145.02850	2.6
147.04417	0.7
149.02359	1.4
150.03137	1.1
151.00272	38.1
151.03790	0.8
152.00693	0.8
155.04881	0.6
160.01572	3.6
161.02129	2.0
163.00307	1.3
163.03941	0.7
164.01086	1.0
165.01808	0.9
169.01355	3.0
173.02312	2.9
174.03123	0.5
175.03900	4.9
176.04234	1.2
177.01877	0.8
178.99767	14.5
179.05502	0.7
180.00092	1.0
183.04492	0.6
185.02267	0.5
185.06049	0.5
187.03853	1.5
189.01830	1.9
191.03374	0.6
192.00565	1.1
193.01289	1.0
193.04974	1.2
194.05469	0.6
198.03078	0.8
199.03868	1.3
203.03363	0.8
211.03940	1.4
215.03479	1.0
221.06004	1.0
226.02618	0.6
227.03484	3.3
229.05077	1.1
233.06105	0.7
239.03421	1.4
240.89691	0.5
241.00180	10.2
242.02145	2.1
243.02875	2.3
249.05489	1.4
254.02094	1.0
255.02925	6.8
256.03476	1.4
257.04517	0.7
259.01236	0.6
269.17456	0.5
270.01608	1.2
271.02457	9.7
272.02936	1.0
273.03888	1.0
273.75974	0.5
277.05011	1.9
283.02414	2.9
283.07736	0.9
284.03119	1.9
285.04044	2.2
289.07379	0.7
297.00769	0.7
299.01935	16.6
299.99792	0.6
300.02716	26.4
301.03500	100.0
302.03870	6.7
311.07065	1.3
318.25998	0.5
327.06604	1.1
339.06424	1.2
355.06088	2.0
366.05420	1.1
369.03632	0.5
379.98422	6.5
380.99179	7.5
381.99719	1.1
382.04678	0.9
383.05597	2.7
385.07138	1.2
401.06619	1.1
411.05054	6.9
412.05579	0.7
413.06604	0.6
422.03955	0.9
429.06143	17.3
430.06354	2.3
439.04633	6.2
440.05154	3.7
457.05627	60.1
458.05978	7.8
461.07217	0.8
463.08905	5.2
475.06552	4.0
476.06995	1.0
537.01306	10.3
537.09204	0.8
538.01636	1.4
543.04425	0.8
555.02393	24.0
556.02722	3.7
624.70593	0.6
637.12018	2.3
668.24615	1.2
669.24548	0.7
717.07654	25.3
718.08008	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	717.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
61.98702	6.8
63.02262	3.1
65.00196	4.6
65.99712	0.5
68.81310	0.4
71.01260	1.4
75.22669	0.4
77.48760	0.4
79.88775	0.4
79.95606	0.5
81.21159	0.4
83.01260	3.6
85.02821	0.7
89.02316	0.5
93.03325	1.1
95.01257	0.9
96.95882	7.0
107.01262	9.6
108.02040	0.6
109.02824	0.6
111.00727	0.5
113.02294	0.4
119.04900	0.6
121.02840	4.7
125.02327	1.3
132.39778	0.4
133.02890	0.8
135.04388	0.7
143.04837	0.6
145.02853	2.1
147.00752	0.6
148.01555	0.6
149.02319	1.1
151.00267	30.6
152.00726	0.9
153.01785	0.6
159.04373	0.8
161.02350	1.5
163.00261	1.0
163.03908	0.6
164.04649	0.5
165.01874	0.5
165.05414	0.6
169.01367	2.6
169.02577	0.5
173.02351	2.8
174.03012	0.4
175.03897	1.4
176.04436	0.4
177.01903	0.6
178.99776	14.5
183.04428	0.7
187.03951	1.3
189.01846	1.0
191.03453	0.5
192.00529	0.7
193.01279	1.0
197.02388	0.4
199.03896	0.8
203.03473	0.8
211.03923	1.2
215.03351	0.7
221.06038	0.4
226.02625	0.7
227.03288	1.9
229.01193	0.4
229.05034	1.3
233.05981	0.6
235.04002	0.5
239.03343	0.9
241.00182	7.4
242.02197	1.6
243.02937	1.8
245.04497	0.6
249.05502	1.2
254.02213	0.5
255.02954	4.7
256.03473	0.8
257.04434	1.0
259.01984	0.5
270.01740	0.5
271.02463	7.8
272.02667	0.6
273.04001	1.8
277.05139	0.8
283.02490	2.2
283.07724	0.8
284.03107	0.7
285.04129	1.6
298.01160	0.5
299.01950	14.5
299.07007	0.7
300.02701	21.8
301.03494	100.0
302.03827	7.7
323.07428	0.5
327.06296	0.5
339.06613	0.6
343.04678	0.6
355.05872	0.7
365.04526	0.5
366.05246	0.6
367.05893	0.7
379.98434	3.9
380.99167	7.4
381.99683	0.5
382.04651	0.6
383.05606	1.4
386.07166	0.5
410.04047	0.6
411.05103	3.6
413.06546	0.6
422.04642	0.7
429.00763	0.7
429.06140	7.2
430.06509	1.1
439.04388	3.4
440.05322	0.9
457.05597	41.1
458.05893	5.3
461.06998	0.7
463.08899	4.8
473.05203	0.9
475.06583	4.1
537.01312	5.2
538.01563	1.3
543.04138	1.2
553.16095	0.4
555.02362	18.2
555.10956	1.0
556.02417	2.4
637.11572	1.5
717.07544	14.1
717.28235	0.9
718.08356	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	0.6
56.86544	0.5
57.03321	2.9
59.01251	10.9
67.01744	0.7
71.01251	12.9
71.26928	1.2
71.27277	0.6
72.99184	4.9
73.02831	0.6
75.00745	15.6
77.65446	0.5
81.03316	0.8
83.01265	2.5
83.04895	2.0
84.02031	1.1
85.02820	16.1
87.00745	5.2
89.02298	2.4
95.01260	3.9
95.77654	0.5
99.00753	9.5
103.00240	2.2
104.65324	0.5
113.02323	17.8
115.00224	1.6
117.01790	2.8
129.01813	1.2
135.07910	0.5
142.89998	0.6
149.04404	0.6
157.01320	0.7
163.11179	1.9
165.12724	1.2
175.02405	3.0
205.07024	0.8
209.11755	25.1
210.12160	1.4
227.12865	2.2
249.06091	2.1
250.61800	0.5
255.23259	67.0
256.23624	5.1
292.89270	0.6
456.71405	0.5
459.19016	1.2
487.28873	0.9
505.30209	4.0
697.41522	0.9
715.42694	100.0
716.43091	21.0
743.15295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.7
61.98699	100.0
62.98393	0.2
63.29990	0.1
68.85521	0.1
71.01247	0.2
71.21222	0.1
73.02827	0.1
78.95782	0.2
80.72606	0.1
89.02309	0.1
91.18926	0.1
101.02312	0.1
113.02283	0.1
125.09677	0.1
133.11418	0.1
152.99524	0.1
189.23970	0.1
209.11865	0.1
255.23372	0.2
256.23694	0.1
293.21216	0.1
330.83102	0.1
398.14059	0.1
399.14227	0.2
400.14203	0.1
410.86755	0.1
417.15033	0.1
544.16467	0.1
567.19141	0.1
599.21857	0.2
657.22052	0.1
716.38062	0.1
717.24438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77410	1.5
57.03317	1.4
59.01244	6.2
61.98702	18.5
71.01241	3.8
73.76820	1.3
75.00758	2.5
75.72457	1.3
78.95773	3.6
83.04899	2.8
87.00746	1.7
89.02296	1.6
97.02825	1.4
101.02344	2.1
113.02317	1.6
115.96323	1.1
122.03562	1.3
125.02357	1.8
125.09610	2.4
129.28946	1.2
137.02351	3.7
163.11122	2.5
165.01794	3.7
171.10182	2.2
201.11272	7.0
202.11629	3.0
203.11836	2.1
207.10156	1.4
209.11768	100.0
210.12038	6.6
211.13275	1.5
225.11156	1.3
227.12845	8.5
235.08150	2.2
253.09340	6.3
293.21152	2.3
294.21735	2.6
445.20920	2.1
493.50873	1.4
715.41565	6.2
716.38721	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	715.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03313	2.1
59.01247	8.3
62.66830	0.6
68.99693	0.6
71.01250	11.4
71.27019	1.0
71.27356	0.6
72.99165	3.3
73.02818	1.3
75.00741	12.5
81.03306	0.9
83.01266	0.7
83.04906	2.8
84.02051	1.3
85.02816	12.6
87.00761	4.8
89.02320	1.9
95.01263	3.2
99.00751	7.6
103.00210	1.7
113.02335	15.3
115.00249	1.7
117.01820	1.2
129.01794	1.0
135.08060	0.7
153.82297	0.6
157.01257	0.7
163.11220	3.4
165.12756	1.4
175.02391	2.8
191.10614	0.9
193.03406	1.1
209.11766	36.1
210.12094	1.6
225.63708	0.6
227.12804	4.4
242.41666	0.7
249.06018	1.5
255.23260	27.6
256.23624	2.3
270.97287	0.6
459.18799	0.8
477.19681	3.0
505.29443	0.9
697.41504	1.4
704.24902	0.6
715.42694	100.0
716.42896	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	715.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38485	0.3
57.03319	0.5
59.01250	3.6
61.98701	64.5
63.02264	1.4
63.99141	0.6
65.00191	3.0
71.01252	2.5
73.02826	1.1
74.98984	0.5
76.34306	0.4
83.01263	2.2
85.02818	0.9
87.00745	0.6
88.98679	1.4
89.02316	0.9
93.03353	1.5
95.01247	0.6
96.95906	1.9
98.19764	0.8
101.02312	1.3
107.01270	6.4
108.02068	1.5
109.02841	3.4
113.02325	0.7
115.00272	0.5
119.04910	0.6
120.99545	1.3
121.02843	4.7
123.00777	1.5
123.04375	1.2
124.01563	0.5
125.02339	4.0
132.02054	0.5
133.02853	0.4
134.03656	2.2
135.00761	1.2
135.02827	0.6
135.04417	1.1
136.01563	0.4
137.02310	1.1
137.09431	0.3
139.00244	0.6
139.03888	0.5
141.55513	0.3
145.02861	0.5
148.01555	1.0
149.02313	1.4
149.05952	1.6
150.03114	0.6
150.06271	0.8
151.00264	21.4
151.03906	1.1
152.00526	0.7
153.01822	0.4
159.04428	0.6
160.01534	1.7
161.02368	2.5
161.04431	0.7
163.00272	4.2
163.03851	1.0
164.00983	0.7
165.01859	0.8
165.05434	0.6
167.03336	0.5
167.05014	0.3
168.00504	0.8
169.01350	5.2
171.10240	0.5
174.03131	0.7
175.03906	2.7
177.01823	0.4
178.99780	10.9
179.03357	0.7
180.00160	0.7
183.04333	0.7
187.03934	0.8
190.02408	0.4
191.05426	0.4
192.00552	0.5
193.01329	0.7
193.04953	1.4
194.05373	0.5
195.06636	0.6
199.03822	0.6
201.01886	0.5
201.05498	0.5
203.03429	0.7
207.13959	0.4
209.11765	0.8
211.03925	1.4
215.03482	0.4
227.03500	1.9
229.04965	1.1
233.11777	0.5
239.03595	0.8
243.02943	4.5
244.03433	0.6
245.04497	1.7
251.12891	0.6
253.04770	0.4
254.02051	0.8
255.02942	15.8
256.03397	1.2
257.00909	0.4
257.04233	0.4
269.13834	1.2
271.02460	25.6
272.02881	2.6
273.04019	2.2
275.01889	0.7
283.02426	2.1
289.06927	0.5
299.01874	0.7
300.02725	35.1
301.03491	100.0
302.00537	0.8
302.03796	7.5
303.04434	0.6
325.03415	0.6
326.56647	0.4
327.06406	0.4
343.20740	0.4
346.04721	0.6
357.26233	1.2
359.13370	0.6
373.25864	1.3
375.27423	0.6
413.18222	3.6
414.18503	0.4
463.08823	6.2
464.09042	0.8
490.35739	0.5
491.36462	0.9
521.20160	0.6
655.20740	0.6
697.20605	0.7
714.38855	0.5
715.22833	21.9
715.37567	0.8
716.22998	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	715.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63752	1.2
58.42787	1.2
59.01252	32.5
69.34104	11.4
72.99178	4.2
107.01276	1.9
109.02785	1.6
116.86983	1.4
119.04890	5.1
121.02829	1.9
135.04417	1.2
147.04414	78.4
148.04811	1.6
151.00276	9.5
161.02298	1.5
163.00261	1.9
165.05482	65.7
165.37132	1.2
166.05783	2.3
178.99852	6.0
207.06566	49.5
208.06870	2.9
211.04144	1.3
226.17209	1.2
227.03452	1.7
243.02899	8.2
245.94659	1.6
254.02115	1.8
255.02957	19.8
256.03445	2.6
271.02454	43.9
272.02954	3.9
287.02026	2.2
300.02728	77.3
301.03448	31.6
316.02173	4.3
441.76813	1.4
463.08810	100.0
464.09079	11.3
594.85950	1.3
642.22852	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	713.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68129	0.5
57.03296	0.5
59.01231	2.7
61.98696	1.2
66.16525	0.6
71.01231	2.8
71.51067	1.1
73.02803	0.6
74.09583	0.6
75.00739	0.8
81.03311	0.7
87.00727	1.0
96.95869	3.6
101.02323	1.1
109.02808	1.6
117.03249	0.6
119.04848	1.4
123.00749	0.9
125.02297	2.3
133.02812	1.4
135.02881	1.3
135.04393	2.8
151.03871	0.7
159.04407	0.7
161.02339	1.5
163.03888	1.1
169.01343	1.2
175.03929	1.5
179.03392	1.7
189.01683	0.7
225.16138	0.9
251.31648	0.6
300.02805	0.8
300.99799	1.5
356.37863	0.6
389.25284	1.3
390.18079	0.6
390.71387	0.6
439.10498	0.9
462.41943	0.7
481.78653	0.9
498.71866	0.7
547.67224	0.8
677.49298	3.7
713.47296	100.0
714.35529	1.4
714.47607	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16978	1.2
59.01260	5.9
61.98703	2.0
69.03312	3.8
69.57889	2.8
69.58293	6.1
71.01254	6.6
73.02812	1.7
75.00719	3.2
77.31741	1.4
78.95756	3.2
83.01286	1.4
83.04881	1.4
85.02804	3.1
87.00739	1.6
89.02319	2.7
97.06483	1.2
98.19849	2.3
99.39520	1.3
100.73274	1.2
101.02313	4.5
109.75871	1.5
113.02314	4.0
119.03344	1.2
119.45525	1.2
125.09612	2.4
138.13712	1.2
151.11212	1.3
153.12750	1.5
157.08562	2.5
158.31541	1.8
159.10164	1.7
161.09641	3.4
179.05472	1.4
179.10718	6.4
181.96861	1.4
195.72818	1.2
197.11768	37.1
198.12206	1.4
209.11774	7.9
220.06950	1.4
223.09599	1.6
235.08150	1.7
241.10712	1.7
253.09283	2.5
253.21703	77.6
254.22163	6.1
255.23296	2.2
267.23334	3.2
277.21771	2.7
293.20996	1.5
295.49197	1.8
298.64581	1.6
385.00955	1.3
406.49377	1.4
459.19019	1.8
460.70825	1.4
477.19635	1.8
534.89001	1.5
548.05316	1.5
688.73688	1.6
713.41132	100.0
714.41107	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	713.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67423	0.4
57.03325	0.8
59.01246	16.7
61.98701	6.8
65.93566	0.3
66.09694	0.3
69.03330	1.8
71.01250	3.7
71.37503	0.7
73.02833	1.3
75.00778	0.3
77.04438	0.4
78.95773	0.6
83.01281	0.5
83.04906	0.5
85.02857	1.0
87.00754	0.7
88.98676	0.4
89.02311	3.5
93.03345	0.5
95.01279	0.4
97.06475	0.5
101.02323	2.9
109.06470	0.6
113.02343	1.2
119.03377	0.7
125.09620	1.0
137.09695	0.4
144.27383	0.4
161.04456	1.1
167.10692	2.6
167.14374	0.6
171.10165	0.5
177.12794	0.5
179.05614	0.7
179.10727	1.4
179.14291	2.1
183.13847	5.3
187.09711	0.6
193.12285	1.6
195.13820	8.2
199.09642	0.5
201.11270	1.7
205.12283	7.2
211.13332	100.0
212.13660	5.5
223.13338	72.1
224.13629	3.4
235.08203	3.2
253.06744	0.5
253.09268	7.5
253.11818	0.6
254.09491	0.6
267.65988	0.4
277.21725	0.5
293.21130	2.3
294.21445	0.5
397.13382	0.7
399.25232	0.8
417.26501	0.9
429.21115	0.5
441.21039	1.8
447.22354	6.5
448.22687	0.6
459.22351	10.3
460.22546	1.0
609.32367	0.7
635.34094	1.8
650.37494	0.6
653.35620	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	712.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92121	0.1
59.01247	1.6
60.01579	0.1
61.01673	0.1
61.98700	100.0
62.98400	0.2
63.99117	0.2
66.00079	0.1
69.33967	0.7
71.01243	0.3
73.02835	0.1
75.00785	0.1
78.95787	0.2
82.97271	0.1
83.33173	0.1
85.02846	0.1
88.98720	0.1
89.02312	0.1
96.95892	0.7
96.96830	0.1
99.00713	0.1
101.02316	0.1
109.02869	0.1
109.06478	0.1
113.02335	0.2
118.38178	0.1
119.03465	0.1
121.02833	0.1
125.02332	0.2
137.02354	0.1
149.02364	0.1
155.93074	0.1
161.02394	0.1
161.04478	0.1
165.05482	0.1
169.01335	0.1
171.10268	0.1
175.03914	0.5
176.04382	0.1
198.52901	0.1
198.68065	0.1
205.05025	0.1
209.11908	0.1
219.94243	0.1
235.23898	0.1
271.02542	0.1
289.07062	0.1
300.99933	0.2
316.02493	0.2
355.25085	0.2
356.25583	0.1
357.26410	0.2
373.25949	0.4
374.26208	0.6
375.27454	0.3
376.17926	0.1
432.38019	0.1
437.96970	0.1
487.34525	0.3
488.34631	1.3
489.34872	1.1
490.35251	1.7
491.35245	0.1
515.33569	0.1
581.19708	0.1
590.46814	0.1
664.70557	0.1
673.01630	0.1
712.36877	0.1
713.24097	0.2
713.36530	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.0
60.01574	0.2
61.01679	0.1
61.98700	100.0
63.37234	0.1
64.43270	0.1
66.82404	0.1
68.70772	0.1
70.06438	0.4
70.06851	0.3
71.01260	0.4
75.00760	0.1
78.95798	0.2
85.02818	0.2
88.98711	0.3
89.02325	0.4
96.95910	0.3
101.02373	0.2
109.02869	0.2
113.02308	0.2
120.47688	0.1
125.02339	0.4
129.60713	0.1
135.04466	0.2
135.80125	0.2
137.02365	0.2
152.59273	0.1
161.02335	0.3
165.05498	0.2
171.10149	0.1
174.03123	0.1
175.03960	0.5
178.99971	0.2
190.02655	0.2
209.11884	0.3
271.02414	0.2
275.02148	0.1
289.07343	0.2
300.02744	0.2
301.00003	0.2
301.03549	0.3
328.92291	0.1
447.18359	0.1
451.09747	0.2
487.34494	0.3
488.34763	1.4
489.35114	1.7
490.35516	2.3
491.36502	0.2
571.22168	0.1
643.94391	0.1
652.40399	0.2
712.35168	0.1
713.23492	0.2
717.36456	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77372	0.1
59.01246	0.5
61.98700	100.0
62.98402	0.1
69.93635	0.6
71.01259	0.3
72.99191	0.1
78.95802	0.2
82.71543	0.1
93.03344	0.2
96.95908	0.4
101.02321	0.1
121.02843	0.2
125.02385	0.2
133.70146	0.1
134.82286	0.1
135.04463	0.1
171.10237	0.2
175.03981	0.1
185.11884	0.1
191.05544	0.2
201.11266	0.2
209.11777	0.2
253.09352	0.1
293.21405	0.2
354.49292	0.1
487.34103	1.5
488.34689	1.0
489.34891	0.7
490.35233	0.8
491.34402	0.2
650.23163	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31015	0.1
57.03335	0.1
59.01247	1.7
60.01584	0.2
61.98702	100.0
62.98406	0.1
71.01258	0.4
71.23091	0.1
72.99200	0.1
77.42928	0.1
85.02795	0.1
88.98690	0.3
89.02354	0.1
96.58730	0.1
96.95878	0.3
101.02331	0.1
109.02856	0.1
113.02332	0.1
113.32652	0.1
125.02370	0.3
135.04358	0.1
161.04436	0.1
174.03027	0.1
175.03955	0.4
187.03967	0.1
188.51703	0.1
209.11850	0.2
240.04591	0.2
289.07291	0.2
289.35736	0.1
300.99976	0.3
328.63458	0.1
440.37625	0.1
456.13806	0.1
471.34875	0.8
472.34885	0.1
473.35593	0.2
487.34488	0.4
488.34604	1.1
489.34940	1.1
490.35178	1.5
491.35818	0.1
631.67285	0.1
713.25256	0.1
713.39148	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
60.01564	0.1
61.01671	0.1
61.98701	100.0
62.98400	0.2
62.99125	0.0
69.68343	0.3
71.01257	0.1
72.99119	0.0
75.24864	0.0
89.02319	0.1
101.02332	0.1
108.02016	0.1
111.13834	0.0
113.02290	0.0
116.92743	0.1
125.02298	0.1
134.03647	0.1
135.04440	0.0
149.06009	0.2
150.06342	0.0
150.85983	0.0
151.10583	0.0
159.04413	0.0
175.03952	0.1
185.99277	0.0
193.05038	0.2
230.47746	0.0
271.02518	0.1
275.01874	0.1
300.02789	0.2
300.99884	0.2
301.03583	0.2
373.26010	0.0
487.34183	0.4
488.27747	0.0
488.34589	1.4
489.34933	1.6
490.35300	2.1
491.35782	0.1
532.37299	0.1
713.21002	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82793	0.1
56.07065	0.1
59.01253	1.3
61.98703	100.0
62.74479	0.1
62.98400	0.2
71.01257	0.6
71.51034	0.1
72.89335	0.1
75.00761	0.2
78.35179	0.1
83.01266	0.1
88.98685	0.3
89.02327	0.3
96.95898	0.3
101.02343	0.4
107.01294	0.4
108.02103	0.2
109.02874	0.5
113.02321	0.3
116.95930	0.1
121.02853	0.3
123.04443	0.2
123.82597	0.1
124.01534	0.2
125.02354	0.5
135.04417	0.1
136.01566	0.1
137.02345	0.2
147.04407	0.2
149.02367	0.2
151.00281	0.9
152.00696	0.2
159.04509	0.2
161.02350	0.3
161.04503	0.2
163.00259	0.3
163.03958	0.1
164.01082	0.2
165.05482	0.2
167.27441	0.1
169.01366	0.3
175.03922	0.6
178.99838	0.5
189.01953	0.2
197.11787	0.1
209.11751	0.2
211.13388	0.1
243.03087	0.5
244.03230	0.1
255.02953	0.8
256.03430	0.6
271.02490	2.1
272.02811	1.1
273.03940	0.2
283.02515	0.2
289.07193	0.6
300.02716	2.0
300.99918	0.4
301.03403	5.7
302.03833	3.3
303.04178	0.1
318.31317	0.1
347.05756	0.1
373.26041	0.2
415.60126	0.2
464.09320	0.2
487.34506	0.4
488.34766	1.5
489.34970	1.3
490.35345	1.4
491.35028	0.2
532.35748	0.2
712.23584	1.9
712.36249	0.2
713.23370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67265	0.0
59.01246	1.6
60.01575	0.2
61.01675	0.2
61.98700	100.0
62.98406	0.2
69.18073	0.2
69.18497	0.3
71.01269	0.1
73.02813	0.1
74.04743	0.0
75.00804	0.1
75.74637	0.0
85.02855	0.1
96.95885	0.1
98.19857	0.1
101.02331	0.1
108.02071	0.1
109.02840	0.2
113.02297	0.1
125.02365	0.0
137.02386	0.1
141.39575	0.0
165.05452	0.3
166.05931	0.0
175.03995	0.1
176.45866	0.0
193.05122	0.1
209.01875	0.1
209.04588	0.2
210.04749	0.1
271.02444	0.1
300.02734	0.1
355.24591	0.1
373.25974	0.1
375.27740	0.2
446.15237	0.1
449.99576	0.1
487.34280	0.3
488.34558	1.5
489.34900	1.5
490.35233	1.9
491.35431	0.1
532.07269	0.1
633.01093	0.1
652.40863	0.1
712.42480	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
60.01587	0.2
61.01678	0.1
61.98702	100.0
62.98402	0.2
71.01248	0.1
95.83594	0.1
101.02307	0.1
103.21255	0.1
134.03635	0.1
149.06026	0.1
175.03923	0.1
193.04993	0.1
300.02884	0.2
300.99988	0.1
301.03381	0.1
347.49438	0.1
375.32718	0.1
487.34015	0.4
488.34647	1.3
489.34937	1.6
490.35281	2.3
491.35999	0.1
501.70377	0.1
713.21204	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	711.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97851	0.1
54.71692	0.2
57.03331	1.0
59.01249	16.6
60.01590	0.4
61.98701	23.0
71.01257	1.1
71.52268	0.2
72.99172	0.4
73.02821	0.4
74.98959	0.2
75.00747	0.5
78.95766	0.2
83.04907	0.1
85.02830	0.3
86.55312	0.1
87.00704	0.2
88.98660	0.2
89.02312	0.5
93.03351	0.5
95.01264	0.4
96.95892	0.4
97.02853	0.2
101.02328	0.7
108.02071	0.7
109.02863	0.3
113.02312	0.4
116.92773	0.5
119.03406	0.5
119.04905	0.3
121.02840	0.2
123.04395	0.9
125.02338	0.6
131.04921	0.2
134.03633	0.4
135.04436	0.3
136.01559	0.2
137.02353	0.2
145.02895	0.3
147.04477	0.3
149.05986	12.9
150.03116	0.2
150.06357	0.6
151.03954	0.2
152.01065	0.4
153.05508	0.5
155.03383	0.2
159.04416	0.3
160.01582	0.3
161.02376	0.3
161.04468	0.3
161.67340	0.2
167.03436	0.2
169.01315	0.2
171.10297	0.2
174.03119	0.5
175.00146	0.2
175.03923	3.5
176.04222	1.0
177.01788	0.2
177.04352	0.4
178.02669	0.3
179.03452	0.2
185.12079	0.1
190.02663	0.3
191.05556	0.2
193.01242	0.3
193.05003	2.8
195.06557	0.2
205.05020	0.4
243.02982	0.1
267.02957	0.2
271.02481	0.3
275.01743	0.2
299.99234	0.3
300.02832	0.4
300.99890	0.6
306.56833	0.2
314.47180	0.1
343.15509	0.2
353.23428	0.2
355.24997	0.5
355.29910	0.2
357.26547	0.3
367.10370	0.4
371.24274	0.3
373.25879	2.0
385.30698	0.2
389.25497	0.9
413.21982	0.2
429.33704	0.8
487.34250	0.5
488.34534	1.1
489.35825	100.0
490.36166	18.3
503.33282	1.7
504.34424	0.2
531.36743	0.3
532.37378	0.2
651.41150	1.2
652.42041	0.2
657.54022	0.2
711.35522	2.6
712.35217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.5
60.01580	0.3
61.01693	0.1
61.98700	100.0
62.59501	0.1
62.98400	0.2
63.18727	0.1
70.30707	0.1
71.01257	0.4
71.50960	0.1
75.00760	0.4
77.50098	0.1
78.95779	0.2
84.56723	0.1
85.02820	0.2
88.98692	0.5
89.02313	0.2
96.95900	0.5
98.66645	0.1
101.02328	0.3
109.02861	0.2
113.02343	0.2
116.92727	0.1
119.03393	0.1
125.02333	0.3
137.02368	0.2
151.00316	0.2
151.03998	0.1
161.02357	0.2
161.04500	0.1
165.05440	0.1
175.03938	0.7
197.11807	0.1
209.04510	0.2
209.11847	0.3
254.68034	0.1
271.02631	0.1
289.07269	0.2
300.02798	0.2
301.00247	0.2
301.03653	0.3
371.24255	0.1
372.25012	0.1
470.30048	0.1
485.32922	0.3
486.33075	0.9
487.34174	4.7
488.34570	10.3
489.35159	1.1
664.81604	0.1
711.24146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.1
59.01250	2.6
61.98703	2.8
71.01258	0.5
71.04885	0.1
71.37642	0.2
73.02814	0.2
74.38219	0.1
75.00732	0.2
82.35774	0.1
83.01244	0.2
85.02821	0.3
86.36708	0.1
87.00758	0.2
88.98669	0.2
89.02335	0.3
89.03835	0.1
93.03332	0.3
96.95866	0.2
100.44823	0.1
101.02304	0.5
101.03833	0.2
108.02039	0.3
109.02847	0.2
113.02316	0.2
116.92726	0.2
117.03341	0.2
119.04909	0.4
121.02859	0.3
122.03593	0.3
123.00826	0.2
123.04421	0.3
125.02360	0.7
125.42490	0.1
129.03360	0.2
130.04141	0.7
131.04929	5.0
132.05249	0.2
133.02823	0.5
134.03625	0.2
135.04449	0.5
136.05191	0.3
137.02292	0.3
145.02843	0.4
147.04422	1.1
149.02341	0.6
149.04578	0.1
149.06004	0.2
150.03131	1.7
151.03961	0.5
152.01047	0.2
157.02882	0.4
158.03600	0.5
160.01591	0.2
161.02339	0.7
161.04514	0.2
163.03926	0.3
164.04683	0.2
165.01871	0.2
165.05478	2.3
166.05878	0.1
169.01347	0.2
173.02411	0.6
173.04538	0.2
174.03157	13.9
175.03928	100.0
176.04276	4.8
177.01822	0.3
179.03433	0.3
180.04247	0.2
181.04973	0.3
187.03964	0.5
189.01945	0.2
189.05472	0.1
190.02664	0.2
191.03264	0.1
193.01297	0.1
193.04951	0.2
195.06587	1.6
200.04803	0.3
201.05406	0.2
204.04111	0.1
205.05032	0.2
211.03838	0.1
217.05031	0.5
219.06459	0.1
229.05011	0.4
271.02304	0.1
279.03113	0.2
297.04102	0.2
300.02530	0.1
300.99866	0.3
301.03357	0.2
331.28693	0.1
335.05368	0.1
343.11755	0.6
344.02051	0.1
352.05917	0.2
373.12994	0.1
387.42615	0.1
391.13998	3.2
392.14426	0.3
412.32730	0.1
415.14160	0.2
433.14264	0.2
488.34830	0.3
489.35861	10.1
490.35995	0.6
493.17477	0.1
503.34094	0.3
559.11346	0.2
655.90387	0.1
711.12036	0.2
711.23199	0.2
712.11963	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	710.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62012	0.1
59.01251	0.8
61.98701	100.0
62.98399	0.2
69.32478	0.3
69.32889	0.6
71.01263	0.4
75.00751	0.2
76.73252	0.1
78.95766	0.6
81.09393	0.1
84.00178	0.1
85.02833	0.2
89.02321	0.2
98.19804	0.2
101.02318	0.2
101.29285	0.1
107.58090	0.1
109.06469	0.1
119.03458	0.1
123.04380	0.1
125.02345	0.1
151.03888	0.1
152.99474	0.3
166.93356	0.1
171.10199	0.1
207.96654	0.1
209.11836	0.4
237.37067	0.1
243.88574	0.1
247.13432	0.1
287.00546	0.1
293.21338	0.3
294.21515	0.3
300.99863	0.1
322.20740	0.1
397.12952	0.1
470.32764	0.2
486.32742	0.3
487.34006	0.5
488.34396	1.6
489.35400	0.1
501.23810	0.2
711.36292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61526	0.0
59.01252	2.0
60.01583	0.2
61.01687	0.2
61.98702	100.0
62.98397	0.2
62.99137	0.1
70.84442	0.1
70.84814	0.1
71.01265	0.3
72.01598	0.0
73.02820	0.1
75.00719	0.0
78.61142	0.0
78.95789	0.0
85.02866	0.1
86.66139	0.0
87.00767	0.0
88.98693	0.2
89.02338	0.2
93.03367	0.1
95.01328	0.0
96.95914	0.2
101.02335	0.2
108.02070	0.2
109.02856	0.2
113.02351	0.1
113.63659	0.0
119.03438	0.1
121.02848	0.1
121.03844	0.0
123.00773	0.1
125.02352	0.1
134.03653	0.0
135.04391	0.1
137.02357	0.1
149.06050	0.0
151.03993	0.1
152.01068	0.2
153.01819	0.1
160.01570	0.1
161.02426	0.1
161.04543	0.1
162.12238	0.0
163.03871	0.0
165.05513	0.1
169.01370	0.1
171.10222	0.1
175.03925	0.4
178.02954	0.0
181.12233	0.1
193.05031	0.2
197.11745	0.1
209.11806	0.2
210.12132	0.1
211.13330	0.1
212.13716	0.1
215.90950	0.0
227.12859	0.1
255.03180	0.1
271.02866	0.1
275.01971	0.1
289.07333	0.1
300.03064	0.1
300.99948	0.1
311.22299	0.3
312.22598	0.4
329.04810	0.1
347.05508	0.1
373.25977	0.2
397.13458	0.1
398.13916	0.1
415.14841	0.1
416.15045	0.1
440.32294	0.1
441.32538	0.1
442.33591	0.1
485.32764	0.4
486.33051	1.2
486.39764	0.1
487.33609	1.9
488.34131	2.7
489.34933	0.2
534.30127	0.1
564.55566	0.0
602.10547	0.0
683.34912	0.0
710.33344	0.3
711.23413	0.4
711.35162	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	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58094	0.2
57.03294	0.4
58.00463	0.6
59.01249	19.2
61.98704	1.8
62.28318	0.2
64.50089	0.2
69.03326	0.3
69.28342	2.1
69.28748	0.6
71.01254	1.4
72.99168	0.3
73.02841	0.4
74.98972	0.6
75.00749	0.3
83.01270	0.3
83.04886	1.0
85.02822	0.6
87.00771	0.4
88.98628	0.3
89.02296	0.4
93.03322	0.3
96.95861	0.9
97.02242	0.2
101.02328	0.8
109.02831	0.7
113.02319	0.3
115.00250	0.3
119.04880	0.3
121.02778	0.4
123.04417	0.4
125.02336	1.3
131.04900	0.7
133.02856	0.4
134.03676	0.4
135.02913	0.3
135.04398	0.6
136.99046	0.6
145.02879	0.4
147.04442	0.3
149.02359	0.4
149.05988	0.3
150.03123	0.7
151.03906	0.4
161.02380	0.6
163.03902	0.4
165.05453	0.5
169.01321	0.7
173.02280	0.3
173.05817	0.3
174.03123	4.0
175.03917	17.9
176.04245	1.3
177.01814	0.4
179.03485	0.3
187.03889	0.4
188.04628	0.3
189.01816	0.5
193.05035	0.5
195.06549	0.3
198.03123	0.4
209.11594	0.3
217.01389	0.4
217.05093	0.4
229.04967	0.3
235.06088	0.3
242.68706	0.3
254.15681	0.3
264.24295	0.2
266.02155	0.5
301.00058	0.6
301.03473	0.3
325.03442	0.4
333.03833	0.4
341.10306	0.2
349.20099	0.8
393.31650	0.9
395.29626	0.4
407.29190	0.3
409.31100	0.8
415.32141	0.6
423.32819	2.3
424.33020	0.4
425.30450	0.7
427.32300	1.6
431.13434	0.3
439.32504	0.3
441.33701	1.7
443.35596	1.3
457.33292	0.4
469.33167	1.0
487.34283	100.0
488.34610	17.6
649.40021	0.4
709.14496	0.7
709.38306	0.3
710.15723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.2
55.38938	0.2
55.46923	0.1
58.00468	0.2
59.01249	27.9
60.01599	0.2
61.98700	5.4
69.36331	1.3
71.01247	1.2
72.99156	0.3
75.00365	0.2
75.00751	2.3
78.95786	0.2
85.02824	0.5
88.07263	0.2
88.98685	0.4
89.02319	1.0
96.95887	0.3
98.20628	0.3
98.32599	0.1
101.02318	1.6
113.02332	1.2
119.03358	1.1
119.35919	0.1
125.02338	0.2
132.02025	0.2
161.04477	0.5
175.03902	0.4
192.12062	0.2
209.11674	0.2
225.63806	0.1
247.94566	0.1
371.24149	0.3
390.29227	0.2
409.31506	0.2
421.31262	0.2
427.32123	1.3
428.32437	0.2
441.33603	0.3
471.30670	0.3
485.33130	0.4
486.32996	0.3
487.34262	100.0
488.34598	17.8
498.53574	0.2
501.35675	0.5
529.35425	0.9
649.39661	1.0
650.40076	0.3
709.41241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21696	0.3
56.64566	0.3
58.00465	0.6
59.01249	15.0
61.98703	3.4
70.64262	0.3
71.01260	3.3
72.99178	0.5
75.39392	0.3
78.95760	2.5
85.02806	0.8
89.02294	2.3
90.65105	0.3
96.95869	0.3
96.96765	0.3
98.20553	0.9
101.02328	1.5
113.02319	1.0
116.92745	1.3
119.03374	1.3
152.99492	1.3
161.04419	0.4
171.10233	0.6
179.05554	0.9
183.13725	0.5
195.13835	1.0
197.11749	6.8
198.12096	0.4
209.11839	2.0
211.13374	1.6
221.19128	0.3
225.11319	0.5
227.12794	0.4
253.09253	1.5
275.63773	0.3
281.21289	1.3
293.21213	4.6
294.21594	0.8
395.33176	0.6
409.31259	0.4
433.20703	0.3
469.33179	1.0
487.34271	100.0
488.34601	18.5
488.45078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59961	0.2
56.22955	0.2
57.03304	0.3
59.01249	3.7
61.98693	1.3
64.57572	0.2
68.90963	0.2
69.03313	0.8
70.41956	0.8
71.01243	3.6
73.02809	0.8
78.95767	2.3
80.96332	0.2
83.01237	0.3
83.04880	0.7
85.02818	0.9
87.00741	0.6
89.02315	2.6
96.96784	0.4
99.00744	0.3
101.02320	2.9
102.09984	0.2
113.02334	1.8
113.09618	0.3
119.03377	0.9
125.02322	0.3
135.04404	0.4
141.09088	0.6
143.03430	0.3
151.11186	0.5
152.99503	1.3
153.09109	0.7
153.12753	1.3
154.13043	0.2
161.04488	1.7
167.10683	0.2
169.12245	6.6
170.12431	0.3
171.10037	0.3
177.12872	0.3
179.05504	0.4
179.10677	0.8
179.14241	0.5
181.12234	0.3
195.13831	5.5
196.14278	0.5
197.11748	100.0
198.12082	6.0
205.12268	0.5
209.11765	0.8
211.13312	1.0
223.13330	3.9
224.13673	0.4
228.13707	0.4
231.21198	0.4
235.08147	2.6
253.09244	14.3
254.09587	0.8
256.13171	0.8
263.08673	0.2
263.20416	0.2
265.22012	0.3
275.20132	5.1
276.20404	0.6
279.19455	0.3
293.21207	61.9
294.21527	7.6
327.21701	0.3
433.20697	4.3
434.20908	0.7
473.32825	0.7
487.33902	0.5
492.65506	0.2
529.30170	0.8
672.33722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82094	0.2
59.01249	42.3
60.01590	0.7
61.98702	4.1
68.99652	0.2
71.01254	0.7
71.06025	0.2
71.06360	0.2
71.98447	0.2
72.99178	0.2
75.00735	0.2
78.95772	1.0
85.02806	0.2
88.98699	0.2
89.02311	0.5
96.96826	0.2
101.02335	0.8
103.99774	0.2
113.02341	0.4
119.03387	0.4
149.06023	0.4
152.99626	0.2
154.06479	0.2
161.04439	0.4
174.03232	0.2
175.03882	0.5
209.11861	0.3
221.06711	0.2
235.78795	0.2
238.04922	0.3
393.31589	0.3
421.31223	0.4
469.32889	0.2
471.34772	0.8
487.34268	100.0
488.34607	17.6
501.35934	0.4
529.35199	0.4
649.39691	1.4
709.41425	0.8
710.41998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	35.6
60.01594	0.4
61.98701	9.3
64.75260	0.2
69.36224	1.1
69.36635	0.3
70.60882	0.2
71.01253	0.6
75.00761	0.3
78.95770	0.3
85.02798	0.2
88.98736	0.2
89.02322	0.3
96.95910	0.2
101.02339	0.6
113.02338	0.4
119.03403	0.5
130.40373	0.2
161.04486	0.4
161.21817	0.2
173.02475	0.2
175.04051	0.4
423.32693	0.3
455.31802	0.2
476.84097	0.2
485.32822	0.4
486.32843	0.6
487.34268	100.0
488.34598	17.7
501.35602	0.2
529.35303	0.6
649.39478	1.0
650.39618	0.3
709.41913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.4
59.01252	6.4
68.41578	0.7
70.97374	1.3
70.97707	0.7
71.01257	6.6
71.91335	0.9
73.02800	1.7
74.82514	0.7
75.32312	0.7
78.95758	4.6
79.95606	1.2
80.96376	5.3
81.03333	0.9
83.01238	0.7
85.02834	1.5
87.00743	2.1
89.02319	1.5
91.53041	0.8
94.97969	1.6
97.06468	6.5
101.02312	4.6
113.02321	2.2
119.03409	1.2
125.02352	0.8
136.63467	0.7
151.11188	18.5
152.11479	1.3
152.99443	2.2
161.04472	1.1
169.12247	48.9
170.12552	2.1
195.10237	3.6
213.11252	8.3
235.08453	1.2
253.09254	3.2
255.23215	1.1
275.20120	1.2
277.21722	59.0
278.22101	5.9
293.21185	1.3
329.04617	1.2
347.05835	1.5
431.19125	2.5
449.20261	3.8
536.11957	0.8
709.41553	100.0
710.41925	20.4
737.89325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03325	1.0
59.01253	7.4
61.98711	1.4
69.03333	0.6
71.01247	7.1
71.20837	1.2
73.02822	1.5
73.30041	0.7
78.95805	1.2
79.95615	0.9
80.16649	0.6
80.96397	3.8
83.04901	1.1
85.02838	2.0
89.02328	5.1
95.04934	0.7
97.06477	3.0
101.02317	4.7
107.48211	0.6
108.23320	0.6
110.69756	0.7
113.02324	2.1
134.02452	0.6
151.11189	13.1
152.99509	1.5
161.04417	1.1
169.12257	93.2
170.12584	4.4
179.05647	1.0
181.21588	0.7
195.10156	1.6
213.11249	11.7
214.11543	1.1
216.13057	0.6
225.00644	1.2
225.81459	0.6
235.08173	1.4
253.09224	4.3
255.23405	1.5
277.21725	22.7
278.22113	2.0
279.23605	0.6
325.76190	0.7
431.18954	3.4
449.20264	9.3
450.20871	1.4
487.34613	0.7
548.23767	2.0
691.38989	0.9
709.41626	100.0
710.41937	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44131	0.2
59.01247	4.4
59.49391	0.2
60.63486	0.2
61.98699	4.5
69.03318	0.9
71.01247	3.0
72.99167	0.2
73.02812	0.3
78.95774	0.7
83.01237	0.4
83.04877	0.5
85.02821	0.7
87.00755	0.6
87.06723	0.2
89.02307	2.7
95.01263	0.3
97.06470	0.2
101.02314	2.9
111.08074	0.2
113.02321	1.3
115.03793	0.2
119.03386	0.9
123.08071	0.2
125.02260	0.2
131.03319	0.2
134.65363	0.2
141.09088	0.3
143.03319	0.2
145.04922	0.3
151.11189	0.4
153.09076	0.4
153.12761	1.3
158.44930	0.2
159.90228	0.2
161.02399	0.2
161.04424	1.5
167.10713	0.4
169.12245	6.6
170.12627	0.3
179.05515	0.4
179.10675	0.7
179.14249	0.3
195.13834	5.3
196.14456	0.6
197.11751	100.0
198.12096	5.5
205.12292	0.4
205.15871	0.3
209.11748	0.3
211.13341	0.5
223.13339	4.2
224.13712	0.4
225.14931	0.2
228.13553	0.6
231.21303	0.3
235.08189	2.7
253.09248	15.1
254.09645	0.8
256.13232	0.8
267.19635	0.6
275.20135	5.1
276.20493	0.4
285.51172	0.2
293.21204	65.4
294.21524	6.6
309.21475	0.2
433.20709	4.2
434.20978	0.5
463.71719	0.2
473.32571	0.6
529.30157	0.7
709.39423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39353	0.2
59.01249	35.7
60.01596	0.4
61.98700	6.9
70.89046	0.5
71.01252	1.3
73.02809	0.2
78.95782	0.2
79.50153	0.2
81.19711	0.2
85.02850	0.3
88.98694	0.2
89.02325	1.1
101.02332	1.5
113.02326	1.0
117.51776	0.2
119.03405	0.9
122.47927	0.2
128.58011	0.2
129.09093	0.2
143.03452	0.2
161.04497	0.5
175.03893	0.7
209.11745	0.4
211.13338	0.3
221.06717	0.3
293.21307	0.3
311.22250	3.1
321.73932	0.3
327.33676	0.3
397.13449	0.6
415.14661	1.0
421.30966	1.4
485.32669	0.4
486.33011	0.4
487.34256	100.0
488.34610	17.5
501.35718	0.4
509.32532	0.4
529.35443	0.8
610.52509	0.3
649.39520	1.1
650.39661	0.5
709.41541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06853	0.1
56.63144	0.1
57.03318	0.2
58.00450	0.4
58.37817	0.1
59.01249	14.4
60.01584	0.2
60.99166	0.2
61.98700	4.0
63.56688	0.1
68.27155	0.1
71.01245	1.7
71.51478	0.1
72.99173	0.3
73.02818	0.2
74.31428	0.1
75.00732	0.3
78.95777	0.2
83.01259	0.3
83.04862	0.2
85.02821	0.4
87.00751	0.3
88.98679	0.8
89.02308	0.8
93.03323	0.2
96.95887	0.4
101.02341	0.8
106.45717	0.1
108.02054	0.2
109.02826	0.2
109.06418	0.1
113.02312	0.8
114.02691	0.2
119.03381	0.5
119.04921	0.3
121.02837	0.3
123.04440	0.2
123.84306	0.1
124.01579	0.2
125.02324	0.5
127.11135	0.2
131.04903	0.3
134.03610	0.3
135.04424	0.5
137.02313	0.2
145.02831	0.2
149.02357	0.2
149.05989	0.5
150.03102	0.3
159.04393	0.2
161.02365	0.4
161.04460	0.4
163.03929	0.3
169.12260	0.6
171.10168	1.7
172.10451	0.1
174.03139	0.9
175.03914	5.8
176.04256	0.5
177.01819	0.2
179.03485	0.2
189.01952	0.3
190.02347	0.1
193.05006	0.5
201.11197	0.2
205.05009	0.3
209.11790	1.3
210.12099	0.3
215.92445	0.2
217.01373	0.4
227.12836	0.2
253.09380	0.2
253.12103	0.2
255.02922	0.2
267.07147	0.2
271.02414	0.4
272.03079	0.1
289.07300	0.2
297.03903	0.2
300.02716	0.7
300.99704	0.4
301.03210	0.3
305.21228	0.4
325.03552	0.2
371.24487	0.1
377.28357	0.4
393.31470	0.9
423.32739	0.5
427.31845	0.2
441.33893	0.2
443.35150	0.2
463.08426	0.3
471.34875	0.5
487.34265	100.0
488.34604	17.5
501.35873	0.3
512.97601	0.1
529.35425	1.3
530.35547	0.2
649.39624	0.8
677.33771	1.3
678.34143	0.4
709.21271	0.6
709.35510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81803	0.3
57.03303	0.3
58.00469	0.4
59.01248	38.0
60.01583	0.3
61.98699	6.9
69.21163	2.0
69.21585	1.1
71.01254	2.1
72.99175	0.3
73.02827	0.4
73.48325	0.2
75.00745	0.3
78.95786	1.5
85.02811	0.8
87.22665	0.3
88.98692	0.4
89.02299	1.8
95.01261	0.5
96.95836	0.3
101.02323	2.7
107.12951	0.3
109.02806	0.7
113.02328	1.4
118.37448	0.3
119.03375	1.7
125.02361	0.8
131.04910	1.0
134.03656	0.4
137.02277	0.4
147.04364	0.5
149.05980	1.0
150.03085	0.5
152.99506	0.5
161.04532	0.4
165.05338	0.7
174.03114	3.2
175.03915	24.2
176.04289	1.4
176.05568	0.3
178.02557	0.3
179.05524	0.3
189.01927	0.3
190.02574	0.5
191.05589	0.4
193.04929	1.4
201.05153	0.3
201.11267	0.4
209.11761	0.9
217.01419	0.7
264.89725	0.4
297.03992	0.4
305.21432	0.5
355.10355	0.6
370.10242	0.3
389.25357	0.6
395.29443	0.4
407.08401	0.3
423.32678	0.6
431.75818	0.3
469.33392	0.6
485.32245	0.4
486.32892	0.6
487.34277	100.0
488.34601	18.1
488.41910	0.5
501.36053	0.5
509.32785	0.4
529.35278	1.3
649.39594	0.9
709.35345	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	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00120	0.2
59.01249	6.9
60.99167	0.8
61.98703	8.2
71.01254	3.2
72.99179	0.6
73.02821	0.3
75.00735	0.9
78.95776	1.6
85.02807	0.5
88.98685	0.3
89.02304	3.0
95.01292	0.4
96.95888	0.4
101.02336	1.3
107.04873	0.3
113.02335	1.0
119.03385	1.3
125.02251	0.2
127.31059	0.2
135.04422	0.2
137.03705	0.2
152.99474	0.8
155.08560	0.2
159.99747	0.2
166.33607	0.3
169.01276	0.3
175.03969	0.3
179.05498	0.8
182.32544	0.2
209.11871	0.4
211.13272	0.4
215.14314	2.0
216.14618	0.3
257.19043	0.5
266.56833	0.2
296.82980	0.3
301.00000	0.2
348.72525	0.3
379.30005	3.2
380.30435	0.4
395.28854	0.3
395.33243	0.8
409.31042	2.4
410.31464	0.4
420.98318	0.3
425.25259	0.3
425.34308	3.3
426.34912	0.6
469.33319	2.4
470.33313	0.5
487.34274	100.0
488.34619	17.0
514.20209	0.2
529.35156	0.7
706.57111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96105	2.3
65.40836	1.2
70.51269	5.0
71.01257	10.1
73.02800	1.5
73.20496	1.4
78.95796	1.7
78.98457	6.2
79.95601	16.6
80.96390	98.7
85.02819	3.6
85.92951	1.3
87.00774	3.5
94.97954	19.2
96.95863	2.5
101.02305	3.1
106.97964	4.3
116.82144	1.3
122.43559	1.3
122.97453	5.7
125.02350	6.4
134.97453	5.7
148.99039	9.3
152.98511	8.1
152.99574	1.3
164.98547	17.8
171.10143	3.5
206.99609	1.7
225.00685	27.1
255.23247	2.8
279.23196	4.6
331.35938	1.3
439.87445	1.5
453.14236	4.0
578.14722	1.5
709.38287	100.0
710.38684	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	709.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01241	1.0
60.08891	0.3
63.96103	1.6
66.97739	0.3
68.99637	0.3
69.03320	0.5
71.01252	8.0
73.02820	1.4
74.62325	0.3
78.98454	6.4
79.42872	0.3
79.95126	0.4
79.95602	12.3
80.96387	77.0
81.03328	0.6
85.02816	3.1
87.00745	2.9
94.97957	18.0
96.95894	1.4
97.02821	2.1
99.00705	0.5
101.02293	3.0
106.97947	3.7
113.00359	0.3
113.02327	0.8
122.97465	2.9
125.02343	3.6
127.03903	0.9
134.97456	5.3
136.99031	1.0
146.97423	0.4
148.99037	7.4
152.98531	7.1
164.98540	14.0
167.00081	0.5
171.10161	2.5
206.99661	3.5
225.00682	22.5
226.01077	0.7
255.23303	1.9
279.23254	1.5
283.04742	0.6
333.64572	0.4
451.81216	0.4
453.14191	3.7
454.14856	0.4
499.75333	0.4
537.27155	1.6
709.38354	100.0
710.38629	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	709.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76328	1.1
63.96105	1.2
71.01254	7.1
73.02808	1.4
73.77644	0.8
78.98470	5.6
79.95603	10.8
80.96387	76.7
81.03316	1.0
85.02806	3.6
86.03132	0.9
87.00742	2.7
89.08174	0.9
94.97953	16.7
96.95869	1.5
97.02826	1.0
101.02303	3.0
106.97961	3.2
122.97443	4.9
125.02306	3.1
127.03866	1.3
134.97441	6.8
136.99014	1.6
148.99028	7.6
152.98515	7.5
164.98558	13.9
171.10222	2.0
196.02054	0.9
206.99562	2.6
225.00684	22.3
229.27856	1.1
255.23280	2.3
279.23306	2.0
316.20309	0.9
352.91409	1.0
453.14221	3.8
537.27319	1.6
709.38330	100.0
710.38617	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	709.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01358	0.6
55.01753	1.2
57.03323	5.1
58.00465	1.6
59.01252	33.4
61.98702	24.5
69.03312	0.9
70.17326	2.6
71.01251	26.0
72.99175	4.3
73.02816	3.2
75.00746	79.1
78.95774	3.8
81.03318	1.3
83.01254	2.7
85.02818	4.7
87.00755	5.1
88.45772	0.6
89.02314	25.3
90.67378	0.5
95.01281	2.0
96.95911	1.9
97.02816	3.6
97.06471	0.9
99.00772	1.3
101.02323	20.0
106.18698	0.6
109.02870	1.0
109.06446	0.6
111.00758	0.8
111.08016	0.7
113.02335	9.3
113.09605	17.6
114.02695	0.7
119.03384	9.4
125.02333	5.8
131.03413	1.5
133.04987	0.7
139.03882	0.8
139.11197	2.8
143.03378	3.3
149.04468	0.9
149.09641	1.0
152.99455	1.2
153.28528	0.7
155.90854	0.7
161.04477	4.1
167.10657	2.3
169.01315	0.9
171.10103	0.9
174.03140	0.9
175.03870	0.8
177.12793	1.3
179.05502	5.4
179.10666	2.2
185.04504	0.7
195.13895	3.2
197.11748	0.8
199.06071	0.7
209.11710	1.5
211.13391	1.9
217.07076	0.9
221.06638	1.8
235.08220	5.0
249.22243	2.2
253.09293	2.0
263.07690	1.4
271.17822	0.6
293.21228	100.0
294.21609	8.5
300.99902	1.0
311.22098	2.0
397.13522	14.0
398.13904	1.3
415.14603	15.6
416.14835	0.9
483.82593	0.7
485.32446	1.0
487.34277	8.5
488.34799	1.0
709.39600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45147	2.5
59.01242	12.5
61.98705	6.6
69.03339	3.8
69.50346	2.5
71.01263	14.1
75.00736	7.0
82.02829	3.0
82.57255	2.8
85.02841	3.3
87.00768	4.9
87.80503	2.7
89.02305	5.5
93.03323	6.8
94.02857	21.0
96.95888	8.5
97.02808	3.0
98.19754	6.1
101.02303	5.2
106.06446	2.5
107.03634	7.3
108.02037	2.9
108.04446	8.0
109.02864	5.1
113.02377	2.7
120.08019	4.1
121.02855	5.1
122.06000	66.8
123.00693	3.4
123.04404	3.0
125.02344	15.8
129.97733	2.8
132.04437	12.6
134.05988	8.6
135.02904	11.1
135.04369	7.0
136.03940	8.0
136.07568	17.0
137.04625	3.1
138.05534	14.5
139.02673	3.6
147.04353	4.7
149.05946	4.6
150.05475	5.6
151.00261	4.2
152.07063	100.0
153.07407	4.3
155.05769	7.0
158.02344	5.1
160.03992	4.7
161.02420	4.5
163.03838	5.9
165.01823	12.4
165.05493	2.6
167.05820	4.3
168.06490	3.3
169.01320	15.5
173.04482	4.4
173.54327	2.8
174.03050	4.4
175.03896	14.7
176.03477	5.9
179.03430	4.8
180.06487	4.6
187.03709	3.4
189.01897	4.9
190.05061	16.6
191.05484	5.1
192.06589	3.2
193.01471	3.9
225.10431	3.6
231.11377	3.1
237.10233	9.2
241.09760	4.4
249.10349	4.3
251.08331	3.2
253.09810	4.4
262.11258	3.3
263.08328	4.5
264.09033	5.2
265.06174	4.1
265.09726	7.2
269.08215	3.0
273.12531	5.6
277.09775	8.9
278.10590	10.6
279.11331	14.0
281.09305	20.0
290.10623	3.5
291.11465	8.6
293.09250	14.8
294.09732	4.1
295.10666	6.9
297.12350	3.2
300.99930	7.5
301.03470	4.4
313.05600	5.3
313.11572	9.5
315.05042	19.8
323.10046	4.3
325.11835	4.1
337.05679	6.0
341.07349	3.7
341.11197	16.6
349.07193	3.6
351.08734	5.6
355.12949	51.4
356.13718	7.7
361.16415	4.2
362.17072	6.8
388.12888	9.7
432.14966	3.9
442.17715	3.7
446.17026	22.7
460.18552	4.6
461.81265	3.0
475.50006	2.9
478.19824	6.7
487.17200	3.8
488.18484	3.3
490.15988	9.1
491.16727	5.8
504.17853	3.6
520.21106	5.1
522.18781	24.9
523.19397	10.6
536.20355	4.9
629.11029	17.9
643.24274	17.3
659.23138	4.2
673.14252	4.0
675.26160	16.4
677.26685	3.8
709.07300	6.0
709.36359	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	709.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48403	0.3
59.01253	6.3
61.98724	1.2
69.03340	0.4
69.31998	0.8
69.32417	1.7
71.01248	2.2
72.99211	0.3
75.00764	0.4
83.04925	0.5
87.00780	0.3
89.02306	1.6
95.01250	0.4
96.95911	0.5
97.02854	0.4
98.19786	0.5
101.02351	0.7
102.99612	0.3
107.04961	0.5
109.02843	1.7
112.71569	0.3
113.02367	0.4
119.04954	0.8
121.02905	1.1
123.00809	0.9
123.04463	0.8
125.02343	1.9
133.02911	0.4
135.02866	0.4
135.04387	1.4
137.02348	5.2
138.03159	1.0
139.03923	0.4
149.02425	0.8
149.04417	0.3
149.06007	0.5
150.03183	0.3
151.03918	3.1
152.01021	0.5
159.04404	0.4
161.02425	0.6
161.06042	0.8
162.44797	0.3
163.03860	1.4
169.01376	0.7
174.03154	0.4
175.03934	2.0
175.07597	0.4
177.01921	0.4
177.05476	0.9
179.06976	0.4
189.01903	0.5
190.02661	0.8
191.03145	0.3
191.05524	0.3
195.04488	0.4
201.09187	0.5
205.05083	1.0
206.05328	0.3
206.61502	0.3
223.04021	0.5
225.05751	0.4
227.03549	0.3
239.03473	0.5
239.07176	1.5
240.04317	0.4
241.05157	0.4
251.03526	0.9
251.07123	0.5
253.05084	0.4
255.06763	0.3
267.03055	1.0
269.04684	0.3
269.08203	0.7
271.09723	2.5
279.02963	1.5
283.09735	1.6
284.10553	0.4
293.08670	0.6
295.02493	1.0
296.03281	0.7
297.04074	1.2
297.11099	0.3
307.02469	0.4
309.11356	1.7
323.01971	3.0
323.12943	0.3
324.02710	1.7
325.03555	1.4
325.10822	1.1
339.12402	0.8
340.13135	42.4
341.13492	4.3
355.15472	100.0
356.15805	11.1
383.04080	1.1
394.54190	0.3
421.47418	0.3
443.06238	3.0
444.06067	0.4
487.34320	4.8
501.06055	0.3
501.31958	0.7
503.08231	4.3
504.08255	0.7
637.34338	0.8
687.14508	0.3
708.36682	0.4
709.21283	1.9
709.36261	1.0
710.21741	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	707.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
58.00448	0.1
59.01247	44.1
60.01578	0.5
61.98698	1.6
69.15309	1.2
71.01244	1.1
71.04889	0.6
72.99156	0.1
78.95737	0.1
80.96397	0.2
85.02837	0.4
88.98685	0.5
89.02312	0.6
95.01260	0.2
96.95891	0.2
101.02310	1.2
113.02310	0.8
119.03407	0.8
121.06405	0.1
161.04430	0.6
175.03966	0.3
193.87207	0.1
221.06612	0.3
241.54041	0.1
300.02844	0.1
301.03534	0.3
325.08365	0.1
391.29959	1.2
392.30798	0.2
437.30518	0.9
439.32153	2.2
440.32358	0.3
455.31641	0.4
479.31598	1.2
480.31619	0.2
485.32681	100.0
486.33038	18.2
499.34155	0.2
527.34259	0.2
647.37952	1.6
648.38104	0.5
707.29730	0.3
707.40173	1.0
708.40051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85876	0.2
59.01247	16.7
61.98702	10.7
65.55421	0.3
69.18511	1.7
69.18935	0.9
71.01250	2.3
72.99172	0.4
73.02812	0.4
75.00711	0.3
78.95773	8.8
83.01239	0.2
85.02810	0.6
89.02315	1.4
96.96848	0.7
101.02316	0.9
106.22475	0.3
111.08099	0.3
113.02331	0.9
119.03397	0.9
125.02337	0.3
125.98028	0.3
134.98228	0.3
137.62224	0.3
152.99483	4.3
156.73874	0.3
158.27632	0.4
161.04436	0.6
163.11089	0.4
171.10201	1.0
175.03886	0.6
197.11801	0.9
198.71289	0.3
201.11275	0.7
203.03462	0.3
209.11784	2.3
227.12775	0.3
233.93614	0.2
279.23410	0.3
293.54141	0.3
300.99915	1.2
309.20578	0.3
321.93079	0.3
343.24884	0.6
363.12125	0.6
377.28537	1.3
389.28586	0.4
405.31720	0.4
407.29559	1.3
423.32794	3.2
424.32962	0.3
437.30591	0.4
441.33606	0.3
455.31586	0.9
467.31589	1.0
474.23236	0.3
479.24167	0.4
482.05890	0.4
485.32712	100.0
486.33044	16.7
499.33655	0.4
647.37885	0.5
707.38074	2.6
708.38483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.5
59.01248	42.3
59.68239	0.3
60.01581	0.8
61.98701	2.7
67.54059	0.4
69.17007	3.8
71.01245	2.7
72.99184	0.4
73.02826	0.5
80.96333	0.4
81.25606	0.4
85.02817	1.3
89.02300	2.4
101.02324	3.2
103.55461	0.4
104.82034	0.4
110.12328	0.4
113.02336	2.0
119.03356	2.4
125.45018	0.3
143.03474	0.4
150.03137	0.4
161.04480	1.0
175.03896	1.7
197.11749	1.5
209.11826	1.3
210.12082	1.1
217.46530	0.4
291.19614	0.5
309.20685	3.2
397.13400	0.7
409.27438	0.5
415.14459	0.9
425.30978	0.5
439.32138	20.1
440.32330	3.9
441.33334	0.9
455.31628	0.7
479.31549	1.2
485.32721	100.0
486.33047	17.6
499.34100	0.7
527.33850	1.3
647.37482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.1
58.00463	0.2
58.89401	0.1
59.01249	27.0
60.01580	0.3
61.98700	4.3
65.63972	0.1
69.03336	0.2
71.01250	1.5
71.07156	0.2
72.99183	0.3
73.02817	0.3
75.00751	0.2
78.27905	0.1
78.95774	1.4
79.65768	0.1
79.95607	0.2
80.96400	0.7
83.01257	0.2
85.02811	0.8
87.00772	0.2
88.98681	0.5
89.02296	0.8
92.95670	0.1
94.87448	0.2
96.44151	0.1
96.95895	0.4
96.96834	0.2
97.06531	0.2
99.00763	0.2
99.04401	0.2
101.02319	1.2
113.02329	0.9
116.92733	0.2
119.03388	0.6
121.02873	0.2
125.02306	0.4
133.02858	0.2
134.03667	0.1
135.04486	0.2
143.03407	0.2
145.02901	0.2
149.02301	0.2
150.03136	0.5
152.99464	0.4
161.02364	0.4
161.04474	0.8
165.05467	0.4
171.10193	0.1
174.03105	0.2
175.03876	1.1
179.05638	0.2
190.02657	0.1
191.03391	0.2
191.05571	0.4
195.06541	0.3
197.11728	0.2
205.15948	0.2
206.09435	0.1
207.10103	0.2
208.36542	0.1
209.11771	0.6
225.00703	0.2
225.11357	0.2
227.12868	0.1
231.06470	0.2
271.99261	0.1
280.78937	0.1
294.03726	0.1
299.99249	0.2
300.99979	0.3
309.20856	0.5
349.18564	0.2
371.01901	0.3
375.27545	0.5
403.04614	0.4
409.31110	0.5
421.31189	0.2
437.30536	2.5
438.30872	0.4
439.31775	0.2
441.33670	0.6
455.31613	7.4
456.32010	1.3
457.05658	0.4
467.31290	0.7
485.32693	100.0
486.33038	15.5
497.32758	0.7
499.34201	0.5
527.33728	0.3
647.37854	0.5
648.38275	0.2
659.31091	0.2
707.30450	0.5
707.41290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.2
59.01246	13.5
61.98695	12.7
71.01235	2.6
71.50826	0.6
71.51185	0.7
72.99172	2.2
73.02811	0.5
75.00738	9.8
78.16995	0.5
78.95777	6.5
83.04893	0.6
85.02808	0.9
87.00780	0.7
89.02316	1.4
96.95880	0.9
97.02837	0.5
97.06435	0.6
101.02315	2.2
107.01215	0.6
109.06478	0.6
113.02315	2.1
119.03381	1.0
125.02293	0.6
135.08043	1.6
152.99498	2.0
169.01231	1.0
171.10172	1.2
177.09142	3.2
209.11729	2.1
251.33022	0.5
253.09372	0.5
277.21652	0.8
291.19693	0.6
301.00107	0.5
302.00360	0.6
309.20657	0.6
423.32605	1.2
467.31607	38.2
468.31934	6.0
485.32712	100.0
486.33054	13.6
527.98322	0.6
647.37549	1.0
707.36804	2.2
708.37524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39864	0.6
57.03325	1.1
59.01256	3.8
61.98697	3.6
70.01972	0.7
78.95776	100.0
80.02559	0.6
83.04901	3.6
84.02042	0.7
95.04922	0.9
96.95891	0.7
96.96832	7.9
97.06436	0.9
98.93026	0.7
109.06428	1.4
113.09593	2.5
131.75525	0.7
134.98430	1.5
146.59766	0.6
150.97896	0.8
152.99490	60.1
153.99864	1.4
156.65018	0.8
163.11205	2.7
165.12791	1.0
171.00589	1.1
171.10205	4.5
177.12793	0.7
179.10745	0.8
179.14293	0.9
194.60950	0.6
195.13850	4.4
197.11807	1.8
205.12383	0.8
207.10204	2.5
209.11775	45.4
210.12039	3.2
223.13345	5.7
225.11299	2.8
227.12840	6.8
262.27390	0.7
263.98245	0.6
277.21777	2.4
291.19653	0.8
293.21216	19.0
294.21573	2.0
295.22821	6.6
296.23358	0.8
300.48120	0.7
361.10669	2.1
363.12143	14.7
364.12567	1.1
381.13242	4.6
395.14807	7.3
413.15518	0.9
429.20419	5.1
430.21063	1.0
431.22000	2.9
447.21552	2.7
449.23904	1.0
485.32840	1.1
560.29688	0.7
587.26569	2.5
603.33063	1.2
619.29102	2.8
657.34076	6.9
658.34277	1.4
675.37140	0.9
677.29169	0.8
689.36548	1.5
707.38080	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	707.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66718	0.7
59.01251	5.3
59.84153	0.8
60.31176	0.8
61.98700	6.9
71.01244	3.7
71.51797	1.1
71.66624	0.9
75.00711	1.0
78.95779	100.0
81.03323	1.5
83.04884	2.4
85.02781	1.0
86.68037	0.8
88.30566	0.8
91.14381	0.8
96.95894	1.0
96.96829	9.0
109.02975	0.8
109.06479	1.0
113.09592	1.2
129.09122	1.9
134.98453	1.3
139.11224	0.8
152.99501	49.8
153.99832	1.0
163.11182	3.5
165.12761	1.0
169.12216	1.9
171.00504	0.9
171.10251	0.8
181.12247	2.3
183.13785	0.8
195.10144	3.6
197.11749	7.5
199.13354	2.2
209.11789	38.3
209.13809	1.9
210.12093	2.9
211.13362	7.0
212.13397	0.9
220.40736	0.8
227.12837	3.9
253.09204	1.4
275.20139	1.3
279.19717	4.2
291.19574	2.5
293.21194	8.3
294.21558	1.3
305.35870	1.0
311.22284	15.1
312.22437	1.3
352.54929	0.8
363.12289	4.9
381.13229	1.1
395.14709	4.9
447.21487	17.1
448.21881	1.3
454.41144	0.9
465.22589	7.2
485.32751	2.7
493.68619	0.9
528.12122	0.9
675.35083	36.3
676.35437	7.4
707.37970	23.1
708.38269	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03323	2.4
58.00456	1.7
59.01251	34.1
60.79313	0.5
60.99165	0.4
61.98706	14.7
69.03322	2.2
70.03645	0.4
71.01254	27.4
71.04912	0.4
72.01581	0.5
72.99177	3.2
73.02818	4.7
75.00731	1.5
78.95783	2.9
81.03345	1.2
83.01270	3.2
83.04893	1.5
85.02826	6.0
87.00748	5.6
87.04356	0.4
88.98679	0.9
89.02317	28.5
93.03321	1.0
95.01248	1.4
95.04903	1.0
96.95894	0.6
97.02832	3.6
97.06445	0.5
98.13501	0.4
98.20617	0.6
99.00742	1.5
101.02322	21.7
102.50348	0.4
106.16200	0.4
108.02033	0.5
109.02828	1.7
109.06478	1.2
111.00787	0.8
111.04434	0.6
111.08047	11.3
112.08337	0.4
113.02333	10.9
113.09569	0.5
114.02651	0.6
119.03391	9.2
119.04829	0.7
121.02853	0.8
123.00777	0.4
123.08072	0.4
125.02338	6.1
125.06068	0.4
131.03395	1.4
133.04968	0.6
135.04439	0.5
135.11682	0.5
135.54430	0.4
137.09607	0.9
139.03867	0.5
139.11140	0.6
141.01804	0.7
143.03419	3.7
147.04480	0.4
149.02368	0.5
149.04442	0.8
149.09616	0.5
152.99506	1.0
153.01746	0.4
161.02429	0.7
161.04485	4.1
162.48717	0.4
163.11172	0.5
165.12711	0.5
167.03384	0.5
167.10641	2.6
169.01306	0.6
171.10202	0.6
173.02180	0.4
174.03085	0.7
175.03906	3.9
177.12807	2.7
179.05521	6.0
179.10654	1.5
185.04471	0.9
193.16075	0.5
195.13849	7.9
196.14255	0.6
197.11800	0.7
203.55740	0.4
209.02782	0.7
209.11739	1.2
212.98352	0.4
221.04716	0.4
221.06578	2.1
227.12752	0.4
235.08182	6.1
236.08615	0.4
247.20735	2.0
253.09193	1.2
263.07904	0.8
273.18500	1.0
275.20007	0.9
277.09164	0.7
287.07913	0.7
291.19656	100.0
292.20007	8.9
299.99039	0.5
300.99939	1.1
305.08963	0.5
305.21088	0.4
309.20844	2.4
340.07251	0.4
367.06134	0.9
371.08002	0.7
379.12393	0.6
397.08432	1.0
397.13519	15.7
398.13776	0.8
399.08755	1.9
400.08899	0.6
415.14572	14.0
416.14828	1.1
441.33783	0.6
485.32776	14.0
486.25165	0.5
486.33105	1.5
509.12311	2.4
510.12579	0.8
647.38977	0.6
671.69501	0.4
707.36975	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	707.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33780	0.6
51.46452	0.6
57.86207	0.7
59.01253	5.0
68.28730	0.8
69.26547	7.0
72.31128	0.7
80.04920	7.2
82.02829	1.8
88.67415	0.7
91.20683	0.7
93.03349	0.7
94.02860	21.3
94.06493	3.2
96.95870	5.2
104.04935	3.0
106.06496	3.3
107.03632	6.1
108.04424	3.3
110.81570	0.7
120.04449	1.5
120.08043	1.2
121.05201	0.8
122.06005	37.2
123.06313	1.6
124.03929	2.2
124.07514	1.4
125.02370	2.0
130.06526	1.3
131.03757	0.8
132.04442	2.7
134.06015	7.4
135.02879	1.8
136.03908	3.4
136.07549	1.4
137.02354	1.1
138.05501	7.9
139.02625	1.7
146.06062	1.2
147.05502	1.5
148.03879	3.1
148.07553	1.0
150.05478	7.4
151.00273	1.1
152.07072	67.7
153.07433	2.9
158.09546	0.7
160.03949	1.2
161.04707	0.8
162.05493	1.3
168.06516	1.2
172.11203	1.6
174.05487	3.3
175.05032	1.6
180.06532	1.7
186.05486	1.4
187.08580	1.2
188.07056	4.0
190.04988	3.1
201.10233	6.8
211.08763	1.7
213.10233	4.0
215.11946	1.3
223.08606	2.0
224.09431	1.5
225.10242	4.0
226.10970	1.3
227.11819	5.6
229.09824	9.3
229.13365	4.0
235.08698	1.0
236.09343	0.9
237.10425	4.3
239.08183	1.7
239.11852	6.7
240.12309	0.8
241.09747	2.2
243.11206	1.4
245.12944	10.2
246.58453	0.7
247.10925	1.0
249.10233	2.2
250.07408	3.5
251.08214	2.9
251.11925	1.7
252.08975	1.2
253.09705	3.7
255.11369	5.0
256.03531	0.9
257.12979	4.6
259.10873	1.9
263.08289	2.0
264.08960	1.2
265.07056	1.1
265.09821	8.8
266.10425	1.6
267.11365	6.2
273.12344	4.1
275.13818	0.9
277.09805	2.2
278.06894	4.4
278.10532	3.1
279.07657	6.2
279.11276	3.9
280.08252	1.0
281.12814	1.2
285.12469	1.0
289.11963	2.3
291.07935	1.1
291.11188	1.5
293.09320	17.8
294.09930	5.1
295.10855	9.9
296.11328	0.8
297.12552	1.1
301.00214	0.8
301.03430	1.9
301.11908	12.6
302.12314	0.9
305.09271	1.0
306.10056	1.6
307.10834	3.4
308.11383	1.1
309.12399	5.1
313.11938	3.2
317.11670	0.9
319.12982	38.4
320.13284	2.5
323.10376	5.6
325.11978	2.6
326.12711	1.0
327.13293	3.7
330.12427	1.1
330.16092	1.2
332.14047	1.6
337.08328	9.3
338.08673	2.1
339.09671	1.3
339.13400	1.2
340.10440	1.0
351.09714	1.2
355.13168	4.2
356.13953	0.8
357.15106	0.8
358.11850	1.3
358.15717	0.9
359.12796	1.4
370.15463	0.9
372.13412	2.1
373.14209	1.2
374.14993	7.6
386.15161	1.6
391.15515	1.4
392.16196	5.6
398.15036	1.0
400.12924	1.3
403.14948	1.2
416.15982	5.9
417.16742	2.2
419.03714	1.0
428.16232	1.5
429.54944	0.9
430.13696	1.5
431.18298	2.1
432.19165	2.7
434.17157	3.0
446.17093	1.3
458.17307	2.4
459.17828	4.7
460.18921	4.5
463.17508	1.8
468.15662	1.0
471.23471	1.0
474.20016	2.4
476.18564	4.2
477.18741	1.7
478.19540	1.1
485.28635	1.4
486.16629	2.1
492.21594	1.6
503.16943	2.6
504.17621	10.3
518.19244	13.2
519.19672	2.3
527.23236	1.0
531.25702	1.2
535.19843	1.2
536.20038	1.3
539.22961	5.9
550.21875	16.8
551.22247	3.1
557.24249	5.4
558.24976	1.3
571.25226	1.4
575.08228	2.0
581.23932	9.3
582.24237	2.1
583.22015	5.7
584.22205	1.2
599.25067	39.7
600.25177	8.6
601.23444	1.0
615.24628	7.1
616.25488	1.4
625.22302	3.8
626.22742	1.2
631.27643	7.5
632.28479	1.5
643.24042	44.7
644.24481	11.2
647.27161	3.2
657.25684	10.3
658.26202	2.2
675.26648	100.0
676.26917	21.6
676.38397	0.8
689.28143	2.6
690.29193	1.2
707.29388	16.8
708.29779	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	706.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24328	0.1
57.03331	0.1
59.01248	1.7
59.12432	0.1
60.01550	0.1
61.98703	100.0
62.98409	0.2
64.80700	0.1
68.48709	0.1
71.01248	0.5
72.99213	0.1
73.02846	0.1
75.00745	0.2
78.95792	0.1
81.03355	0.1
83.01295	0.1
83.04902	0.1
85.02847	0.2
88.98705	0.2
89.02335	0.2
93.03355	0.1
96.95909	0.1
101.02335	0.3
109.02861	0.2
113.02350	0.2
169.12296	0.2
174.03166	0.1
175.03931	0.2
183.13835	1.1
184.14114	0.4
191.05551	0.1
197.11830	0.2
207.08011	0.1
207.10110	0.1
209.11783	1.2
210.12111	0.5
225.11354	0.1
227.12962	0.2
252.20119	0.1
253.09244	0.1
280.50928	0.1
291.19888	0.1
309.20941	0.3
373.26035	0.1
397.13535	0.1
425.03137	0.1
439.31906	0.1
448.22754	0.1
449.30750	0.3
454.30725	0.1
455.31836	0.1
467.31735	0.2
483.31772	0.1
484.31720	0.4
485.32730	4.3
634.40710	0.2
673.35358	0.1
674.34674	1.5
675.35260	0.2
706.36823	0.1
707.36029	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	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11887	0.7
53.04889	0.8
59.01250	5.1
61.98706	5.9
71.01247	3.0
78.95764	0.7
81.03325	1.3
83.04899	3.8
85.02819	1.2
87.00728	1.0
89.02330	1.7
101.02334	2.9
111.69225	0.9
113.02340	1.7
125.02319	1.0
125.05930	0.8
139.59261	0.7
163.11218	2.4
165.12784	1.9
171.10115	1.2
175.03987	2.2
181.12218	0.8
191.10716	1.6
209.11783	100.0
210.12114	6.3
227.12874	13.9
228.13152	1.5
235.08200	1.4
238.84059	0.8
253.09280	5.3
295.74643	0.8
337.07220	1.2
373.25891	1.7
445.20377	1.4
483.30664	0.9
600.95575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19018	3.0
59.01240	10.7
61.30218	3.6
61.98698	57.4
66.07114	3.9
69.67353	16.1
69.67772	4.8
71.01238	14.7
78.95776	15.1
80.96371	4.2
89.02328	7.8
101.02332	4.2
125.02328	3.8
147.25264	3.2
152.99486	7.8
163.11143	4.4
184.01346	3.6
192.94331	4.0
195.13730	4.5
197.11769	9.8
199.91373	3.4
209.11763	70.0
210.12016	4.1
211.13347	6.2
223.13350	100.0
224.13654	8.4
227.12762	23.8
235.08047	6.7
253.09258	6.2
318.01855	3.4
323.28229	3.5
459.22296	28.2
460.22528	4.8
483.30945	11.9
651.33527	7.8
705.32758	45.1
706.32745	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	703.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83495	1.6
56.73378	1.6
57.03310	2.3
58.00460	2.5
59.01248	32.7
61.98385	2.4
61.98703	45.8
71.01244	18.0
71.50986	3.3
72.99184	18.9
73.02807	5.9
73.40426	1.8
75.00739	4.0
75.30422	1.7
78.95763	7.1
80.02520	2.1
81.03313	2.7
83.01250	3.7
83.04906	9.6
84.02001	2.1
85.02837	8.1
87.00735	5.1
87.04361	1.8
88.98682	3.7
89.02321	12.5
93.03333	2.3
95.04901	2.0
96.95869	8.1
97.02827	5.0
99.00751	3.5
101.02324	14.8
107.01279	2.3
109.02824	2.9
109.06474	22.6
113.02305	7.0
119.03366	3.9
121.02797	3.2
123.04405	2.1
125.02327	5.5
125.09581	2.4
134.37401	1.7
135.04427	3.3
135.08060	4.5
137.02383	2.5
142.02609	2.7
151.03839	2.3
153.01903	1.6
161.04453	4.8
163.11214	20.0
165.12709	3.3
169.01299	4.5
171.10173	3.1
174.03035	2.6
175.03882	7.6
181.12294	3.8
185.11736	3.9
189.09117	1.6
190.02670	1.8
197.11784	10.2
201.11273	4.4
202.67229	1.6
207.10205	51.3
208.10480	4.3
209.11766	100.0
210.12067	4.9
211.13359	2.3
225.11270	33.1
226.11473	3.7
227.12857	16.2
235.08121	4.2
253.09242	12.0
271.02435	3.4
280.03735	4.5
289.07123	1.9
300.02679	5.6
301.00009	2.4
301.03314	3.2
302.58133	1.8
305.04483	2.0
329.23389	2.2
347.05460	2.6
357.26376	5.4
373.26346	3.2
399.21710	6.0
400.16254	1.6
405.26724	2.6
417.22665	5.9
443.19128	3.8
461.20343	8.7
505.35175	5.0
523.29102	24.6
524.29114	3.8
606.10315	3.1
635.31012	10.9
636.31561	3.6
653.31567	12.7
654.31445	2.4
671.32666	18.3
672.33350	5.9
703.15625	3.8
703.34937	22.9
704.35425	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	701.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47583	1.8
58.33191	1.7
59.01247	7.0
59.28339	1.7
69.69791	9.9
76.43454	2.0
78.95779	99.0
96.96863	9.8
134.98480	2.5
152.99487	54.7
153.99802	2.3
192.95781	2.7
195.13760	2.2
197.11728	5.1
217.00258	6.0
255.23276	100.0
255.25984	4.8
256.23615	7.5
293.21185	3.1
294.21707	2.2
295.22638	10.4
309.20679	6.3
374.99222	2.4
391.22614	31.4
392.22873	2.6
409.23486	12.1
445.20020	12.1
483.52655	2.1
701.43976	42.0
702.44592	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	701.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.3
58.00450	0.2
59.01247	2.7
65.92323	0.2
71.01250	3.1
73.02799	0.9
76.87968	0.2
78.95760	0.4
80.02545	0.7
81.03349	0.6
83.01261	0.7
83.04891	2.5
84.02038	0.4
85.02818	0.7
87.00730	1.0
89.02303	1.8
95.01226	0.2
95.04900	0.5
97.59531	0.2
101.02318	2.9
110.98386	0.2
113.02328	1.5
119.03383	0.7
125.05987	0.3
133.04890	0.3
135.08043	0.5
143.03395	0.2
145.04970	0.7
156.16742	0.2
161.04437	1.2
163.11208	2.2
165.12723	1.2
179.05528	0.3
181.12263	0.4
191.10745	0.6
209.11758	60.0
210.12099	3.6
214.31024	0.2
227.12831	8.1
228.13208	0.6
235.08188	6.8
253.09258	6.8
254.09508	0.3
255.23251	100.0
256.23596	8.7
273.00119	0.2
295.22797	1.4
491.32053	1.1
576.83936	0.2
701.46985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.74818	0.8
61.98704	5.2
71.01275	1.2
71.50416	2.1
78.95770	6.7
79.45564	1.0
80.96374	0.9
108.10973	0.9
110.29964	0.9
110.87832	0.9
129.69318	1.0
152.99492	2.7
171.10216	1.0
181.43707	0.8
188.43823	1.0
235.08337	1.1
255.23279	4.9
258.22281	0.9
277.21622	0.9
279.03137	0.9
293.21222	1.1
295.22772	3.8
357.50897	0.9
438.13239	4.5
439.13770	1.1
452.14871	1.3
453.15714	1.2
467.14294	1.0
481.15189	31.2
482.15466	8.6
495.16791	9.6
496.17136	3.0
497.18542	6.4
514.14941	2.4
525.14154	1.0
539.15723	2.1
540.16443	9.4
541.17017	2.0
554.17584	1.9
555.18811	52.8
556.19073	11.2
572.15326	13.2
573.15710	4.0
573.58289	1.2
586.17371	6.8
587.17682	1.9
609.20026	1.2
627.21277	1.5
641.22437	24.9
642.22949	6.6
701.24689	59.7
702.25085	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	699.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78816	22.5
71.49741	42.0
78.95776	35.3
101.69898	30.7
140.11369	25.8
144.57986	24.4
160.64522	26.4
255.23297	77.9
293.21240	100.0
366.86761	27.9
408.65109	25.9
421.95871	27.2
510.50449	32.3
699.46014	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.2
61.98684	0.8
69.21111	2.7
69.21524	5.1
71.01245	1.6
72.99161	1.5
75.00740	1.4
76.93502	0.7
85.02814	0.9
87.00745	1.4
89.02275	0.9
93.03336	1.4
96.95856	1.5
98.20586	1.6
111.04379	1.0
112.98680	2.4
120.99553	0.7
122.03551	0.7
125.02311	2.7
130.24745	0.7
135.02817	1.3
135.04402	1.1
137.02309	0.7
145.01349	1.7
149.05884	0.7
169.01320	1.5
175.03851	0.8
191.05501	0.8
199.03949	1.0
250.02684	1.0
251.03290	0.9
253.05066	0.8
274.90933	0.8
278.02148	2.4
279.02823	1.3
280.78677	0.8
285.04001	1.2
295.66180	0.7
301.00082	1.3
306.01758	1.1
307.02478	2.3
308.03256	0.9
321.01974	1.4
322.02869	3.0
324.02686	6.6
325.03500	17.0
326.03711	2.1
337.18729	0.9
350.02328	9.6
351.03122	14.0
352.03622	1.2
355.08429	0.9
364.03961	5.7
365.04648	7.0
366.05252	0.8
377.04593	0.9
379.67856	0.9
392.03403	8.0
393.04312	9.3
394.04449	1.0
406.04871	1.4
422.04489	2.9
423.05389	1.8
450.03827	1.7
452.05261	1.5
478.03479	2.1
479.04391	1.7
511.06140	0.9
538.05682	19.2
539.06287	6.0
641.09308	0.9
701.11548	100.0
702.11896	18.1
702.20935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06281	0.1
55.01745	0.2
57.03321	0.3
59.01249	2.3
64.55997	0.2
71.01248	2.7
72.99205	0.2
73.02810	0.9
75.00718	0.1
78.95782	0.3
80.02554	0.7
81.03329	0.8
83.01247	0.4
83.04893	2.5
84.02048	0.4
85.02831	0.8
87.00745	0.8
89.02314	1.4
95.01270	0.2
95.04913	0.3
97.02821	0.2
99.00747	0.3
101.02319	2.6
104.36385	0.1
110.98424	0.2
113.02322	1.4
119.03394	0.4
125.05971	0.3
125.09595	0.2
131.57957	0.1
133.04948	0.3
135.08061	0.3
143.03406	0.2
145.04999	0.7
147.51418	0.1
161.04457	1.0
163.11192	2.0
165.12714	1.3
173.21835	0.1
179.05499	0.3
181.12292	0.3
191.10770	0.4
209.11760	61.1
210.12103	3.7
227.12834	7.8
227.15176	0.2
228.13150	0.6
229.18108	0.2
235.08183	6.2
236.08444	0.2
245.53546	0.1
253.09286	7.8
253.21693	100.0
254.09554	0.3
254.22043	8.5
255.23257	1.0
267.23404	0.2
276.34265	0.1
293.21265	0.9
349.97083	0.1
407.03391	0.2
445.20428	0.3
489.30716	0.7
489.84753	0.2
506.02502	0.2
520.70685	0.2
579.84430	0.2
674.96564	0.2
699.45581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.3
59.01249	5.4
61.98688	6.3
68.99705	0.7
71.01239	4.2
71.49776	1.1
73.02813	1.5
78.95776	3.0
80.02536	0.8
83.01261	0.8
83.04893	0.7
85.02820	1.8
87.00739	2.6
89.02340	3.0
94.79564	0.6
95.01263	0.8
95.04887	2.5
97.06466	13.4
101.02313	4.0
109.02849	0.8
113.02311	2.6
113.09568	1.4
123.08034	9.2
125.09606	82.5
126.09936	2.7
133.04832	0.7
145.04965	1.2
152.99474	1.8
156.44267	0.6
161.04454	1.9
169.08586	1.6
171.10181	6.4
187.09677	36.3
188.09990	1.2
195.13817	5.8
197.11778	1.2
209.11786	3.0
211.13295	1.0
223.13287	2.6
235.08189	2.7
253.09293	4.6
255.23247	1.8
256.13004	1.3
275.20108	2.9
291.19528	1.1
293.21216	33.0
294.21631	1.9
309.20706	2.0
324.63644	0.7
405.17603	4.1
423.18539	4.2
444.46814	0.7
566.35742	0.8
681.37897	1.1
697.59625	0.7
699.39520	100.0
700.39600	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	699.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.9
59.01251	11.9
61.98700	14.1
71.01235	7.6
71.51120	1.7
78.95780	6.2
80.13048	1.1
80.25426	0.9
83.01236	0.9
83.04884	1.7
83.05546	0.9
85.02852	2.3
87.00754	1.1
89.02316	7.6
95.04875	1.8
97.02827	1.5
97.06475	13.2
101.02309	6.0
105.73502	1.0
109.06447	1.5
109.21886	1.1
111.08022	3.7
113.02342	3.3
119.03401	1.6
123.08072	7.6
125.02337	1.3
125.09612	100.0
126.09952	2.8
127.11159	1.5
139.03889	1.4
143.10669	1.7
152.99530	2.5
161.04501	1.3
169.04785	1.2
169.08585	4.3
171.10178	77.7
172.10542	3.9
187.09680	65.9
187.11406	2.2
188.09947	3.4
195.13791	2.5
197.11786	20.1
199.13243	1.6
209.11777	12.4
211.13368	2.0
223.13220	2.3
227.12822	4.2
235.08162	3.7
253.09268	12.7
255.23236	3.9
263.19995	1.2
275.20059	1.2
291.19656	9.6
293.21323	13.1
294.21463	1.3
309.20685	24.5
310.21136	1.9
405.17661	4.1
423.13654	1.5
423.18814	14.4
424.18936	1.6
699.39551	89.3
700.39410	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63206	0.1
59.01239	0.4
61.98700	100.0
62.98403	0.2
71.21805	0.3
78.95803	0.2
81.02891	0.1
82.65851	0.1
113.02294	0.1
116.20364	0.1
128.06906	0.1
128.57867	0.1
166.03041	0.1
171.10194	0.2
204.80539	0.1
223.13377	0.4
241.11951	0.1
249.69528	0.1
249.72073	0.1
268.92407	0.1
293.21252	0.4
458.89371	0.1
471.35028	0.6
472.35162	0.9
473.35553	0.8
474.35687	1.0
603.35004	0.1
640.30890	0.1
696.39783	0.4
697.38629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01242	2.5
61.98701	3.0
63.89648	0.3
65.00182	0.3
71.01249	1.8
71.51727	0.4
72.99185	0.4
73.02808	1.6
75.00780	0.5
83.01247	0.4
85.02827	0.9
87.00755	0.8
88.98653	0.5
89.02323	0.6
91.05392	0.7
93.03326	0.9
95.01303	0.3
96.95908	1.1
101.02330	1.4
103.73053	0.3
107.04917	1.7
108.02058	0.5
109.02841	1.0
113.02373	0.7
115.00226	0.4
116.92723	0.8
117.03338	0.5
119.04917	3.4
120.99553	0.9
121.02838	1.7
123.00720	0.4
123.04420	0.9
125.02333	1.9
130.04146	0.7
131.04936	4.5
132.02084	1.6
132.05206	0.3
133.02853	1.0
134.03650	2.9
135.04422	15.2
136.04706	0.3
137.02347	1.2
137.05983	0.7
139.03899	0.4
145.02837	1.3
145.35469	0.3
146.03648	1.9
147.04355	1.5
149.02374	1.2
149.05984	1.9
150.03143	1.2
151.00334	0.4
151.03920	0.9
158.03629	1.5
159.04459	1.1
160.01576	6.6
160.05209	1.4
161.02347	3.2
161.04648	0.5
161.06012	1.2
162.03114	0.6
163.03912	3.3
164.04700	1.6
165.01877	0.3
165.05496	0.7
167.03381	0.3
169.01294	0.9
173.02359	0.8
173.04518	0.5
173.05965	0.4
174.03142	16.8
175.03929	100.0
176.04286	4.8
177.01797	0.6
177.05479	2.0
179.03406	1.4
179.07050	2.7
180.03908	0.3
181.04945	1.6
187.03906	1.2
188.20424	0.3
189.01909	0.5
190.02649	0.4
191.05518	1.0
193.04991	2.5
195.06538	2.0
200.04765	0.6
200.44475	0.3
205.04958	0.4
209.11832	0.7
217.05069	1.0
221.04465	1.9
223.05994	1.5
224.93655	0.4
229.05023	0.8
235.06078	1.4
264.03946	0.3
265.07349	0.8
271.02179	0.3
277.07281	0.7
283.15741	0.4
289.07309	0.7
299.99036	0.5
300.99951	1.1
311.09305	0.3
314.11676	0.6
323.07590	2.9
325.09213	0.9
329.10437	0.7
329.13635	1.6
337.09241	7.1
350.04416	0.3
359.11371	3.3
373.25793	1.3
377.12402	6.9
378.12766	0.8
401.12234	1.5
419.13489	3.6
431.13028	0.6
443.13550	0.4
449.14590	1.8
473.14252	0.4
479.15671	2.5
480.16168	0.5
501.14011	1.0
503.15637	1.2
505.18909	0.5
507.19958	0.4
517.18762	0.7
521.16718	3.2
522.17639	0.4
697.24823	3.6
697.35577	1.3
698.25665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50043	0.1
59.01245	1.2
61.98700	100.0
62.98412	0.3
63.99121	0.2
70.88779	0.1
70.89113	0.2
71.01265	0.4
78.95784	0.8
79.95593	0.2
83.40599	0.1
83.54719	0.1
88.98722	0.3
89.02327	0.3
94.97932	0.1
96.95887	8.0
96.96803	1.0
101.02352	0.2
108.02083	0.1
109.02820	0.2
113.02336	0.1
116.14056	0.1
121.02860	0.2
125.02335	0.2
147.04472	0.1
149.02379	0.1
149.06026	0.6
150.03123	0.1
150.06308	0.1
151.00282	0.2
160.01633	0.1
165.05496	0.3
169.01437	0.1
171.10217	0.2
175.03931	0.6
178.99831	0.2
191.05573	0.1
193.05109	0.3
209.11812	0.2
226.02681	0.2
227.03445	0.2
243.02896	0.6
254.02324	0.1
255.02843	0.7
271.02478	2.3
271.05435	0.1
299.01965	0.2
300.02682	3.3
301.03452	1.1
339.25058	0.2
343.28650	0.3
463.08829	0.7
471.35037	0.1
472.35150	0.9
473.35495	0.9
474.36227	1.0
521.21198	0.2
534.09552	0.4
696.24188	0.2
696.37012	0.2
697.24988	2.7
697.36346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93509	0.1
59.01250	1.3
60.01570	0.2
61.98703	100.0
62.02912	0.1
62.98412	0.2
69.33839	0.8
71.01264	0.3
75.00717	0.1
83.36685	0.1
85.02887	0.1
86.05946	0.1
87.10615	0.1
88.98724	0.2
89.02320	0.2
95.01236	0.1
96.95905	0.2
113.02308	0.1
118.31577	0.1
122.92553	0.1
125.02325	0.2
135.04408	0.1
137.02338	0.2
149.05954	0.6
165.05487	0.1
169.01253	0.1
175.03946	0.3
176.04424	0.1
181.90541	0.1
193.05017	0.3
209.11859	0.1
253.29242	0.1
271.02579	0.4
300.02875	0.3
300.99765	0.2
471.34875	0.3
472.34946	1.0
472.40344	0.1
473.35458	1.1
474.35843	1.1
488.34460	0.2
696.24390	0.1
697.25232	0.3
697.38275	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	696.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89620	0.1
56.23183	0.1
59.01245	1.3
60.01580	0.2
61.01676	0.2
61.98700	100.0
62.98411	0.1
71.01257	0.1
71.06972	0.1
72.99171	0.1
85.02819	0.1
89.02321	0.1
121.02818	0.1
132.16106	0.1
162.12575	0.1
169.01373	0.1
175.03899	0.1
209.11781	0.1
212.13766	0.1
218.72643	0.1
300.02759	0.2
358.26807	0.1
465.06876	0.1
471.34430	0.4
472.34991	1.3
473.35336	1.5
474.35727	1.6
697.24170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79539	0.1
54.32140	0.1
59.01247	1.1
60.01577	0.1
61.01687	0.1
61.98702	100.0
62.98411	0.2
69.39864	0.4
69.40284	0.3
84.46783	0.1
97.91218	0.1
125.26522	0.1
131.03394	0.1
135.04469	0.1
149.02385	0.1
182.60376	0.1
217.23653	0.1
300.99969	0.1
331.95874	0.1
338.48538	0.1
375.86691	0.1
390.80048	0.1
399.43457	0.1
471.34781	0.4
472.35114	1.2
473.35355	1.5
474.35715	1.6
610.67480	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	696.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87861	0.2
59.01242	0.5
61.98700	100.0
71.01279	0.3
71.50531	0.3
78.95757	0.3
79.95631	0.2
80.96408	0.2
88.05358	0.2
91.71194	0.2
96.87245	0.2
133.02866	2.7
134.03621	0.3
135.04428	0.9
137.02342	0.3
150.03117	0.2
160.83099	0.2
161.02347	10.7
162.02711	0.6
171.10211	0.3
201.11234	2.5
211.13290	0.2
235.08272	0.5
253.09360	0.5
253.21664	0.5
277.21729	2.9
293.91568	0.2
633.37903	20.9
634.38263	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	696.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05799	0.2
61.98700	100.0
71.01247	0.3
71.50248	0.3
78.95792	0.5
80.96373	0.3
116.92729	1.3
133.02824	3.9
134.03612	0.4
135.04391	1.2
161.02353	10.9
162.02687	0.6
171.10277	0.3
174.61749	0.3
175.74966	0.2
209.11806	0.9
225.11232	0.4
251.20132	1.4
277.21918	0.3
451.26660	0.3
633.37933	23.7
634.38226	5.7
678.39886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24097	0.4
59.01245	1.0
61.98702	100.0
69.14850	4.7
70.08915	0.4
71.01263	0.6
78.95786	1.5
109.06432	0.5
121.94749	0.4
127.45154	0.4
133.02852	2.9
135.04449	1.4
137.02350	0.5
140.01059	0.5
161.02347	13.8
162.02777	0.6
171.10196	4.3
179.03419	0.4
183.75266	0.4
196.03864	0.5
199.09772	1.6
207.10309	0.8
209.11827	0.5
212.39409	0.4
225.11263	0.9
253.21751	0.7
255.23247	2.4
277.21677	0.8
416.00421	0.5
565.33679	0.4
606.38074	0.8
633.37909	23.0
634.38257	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
58.15535	0.2
59.01248	20.8
61.98699	13.1
71.01256	1.7
71.04883	0.9
71.51041	0.4
72.99178	0.3
73.02834	0.5
75.00739	0.8
78.95773	1.0
80.96391	0.2
83.01247	0.3
85.02824	0.9
88.98671	0.7
89.02305	0.6
92.33542	0.2
93.03341	0.7
95.01254	0.4
96.95885	0.4
101.02317	1.3
103.01903	0.2
107.01285	0.3
108.02052	0.4
113.02364	1.1
115.00268	0.2
119.03408	0.7
121.02858	0.3
123.04388	0.6
125.02352	0.4
129.81526	0.3
131.04936	0.4
134.03627	0.6
135.04434	0.5
137.02351	0.6
143.03433	0.3
147.04433	0.3
149.05983	21.6
150.03107	0.8
150.06363	0.8
151.00313	0.6
159.04433	0.8
160.01599	0.3
161.02385	0.6
161.04414	0.5
163.04047	0.3
165.05467	0.6
167.03378	0.4
169.01273	0.4
174.03139	0.7
175.03914	5.3
176.04306	0.6
179.03511	0.4
189.01836	0.4
191.05602	0.3
193.01256	0.3
193.04976	5.8
194.05397	0.2
195.06517	0.3
209.11725	0.6
210.12135	0.4
211.13232	1.1
243.02983	0.9
251.16687	0.4
254.02531	0.3
255.02986	1.1
271.02441	3.8
272.02957	0.4
285.66223	0.3
300.02695	4.2
300.99991	0.4
301.03400	1.5
313.23898	0.4
341.27017	0.2
357.26596	1.6
373.25940	0.8
374.26398	0.3
409.34665	0.4
411.32825	0.5
413.34195	2.9
473.36383	100.0
474.36703	15.1
474.43668	0.5
503.33978	0.7
533.31415	0.4
635.41766	0.9
695.23669	3.5
695.36316	5.5
696.23669	0.7
696.36737	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	695.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
58.00460	0.2
58.27959	0.2
59.01249	12.7
60.01575	0.2
61.98699	3.4
62.83372	0.2
69.03316	0.6
69.32692	1.6
71.01260	1.3
71.04830	0.2
72.99191	0.2
73.02802	0.5
73.82699	0.2
75.00735	0.3
83.01261	0.3
85.02824	0.7
87.00822	0.2
88.98657	0.4
89.02306	0.7
93.03329	0.3
95.01283	0.3
96.95880	0.7
101.02316	1.6
108.02089	0.2
109.02850	0.5
111.00716	0.2
113.02322	0.6
113.40117	0.2
116.92753	0.2
117.03356	0.2
119.03395	1.0
119.04908	0.7
123.04377	0.2
125.02327	0.6
132.02068	2.6
133.02849	0.5
134.03635	3.2
135.04439	0.8
136.01547	4.2
137.02403	0.4
145.02827	0.3
149.02332	0.2
149.05962	0.7
151.03920	4.4
152.04266	0.3
160.01566	10.4
161.02203	0.8
161.04442	0.4
163.03844	0.5
165.01854	0.2
169.01395	0.3
174.03128	0.4
175.03923	11.6
176.04408	0.7
176.71210	0.2
177.01868	0.3
179.03374	0.4
191.05519	0.2
193.04999	2.8
234.11661	0.2
267.15991	1.2
279.06595	0.2
291.16110	0.2
300.99747	0.5
309.16971	0.5
327.12408	0.9
337.09265	10.9
338.09680	1.3
343.11835	1.0
344.12424	0.2
350.04306	0.3
357.13293	1.4
371.24341	0.4
385.25555	0.3
429.33609	1.6
430.34341	0.2
469.33405	0.4
473.32687	100.0
474.33051	17.3
487.34125	0.8
515.33954	0.5
586.41730	0.2
635.37860	0.5
647.99072	0.2
695.23157	3.0
695.34180	0.4
695.41376	0.3
696.23517	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	695.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01254	9.2
60.99173	0.7
61.98702	28.1
70.89355	0.6
70.89690	0.8
71.01254	3.8
71.04905	0.7
73.02819	1.1
75.00760	0.7
81.05521	0.4
85.02822	2.0
87.00723	0.7
87.04397	0.9
88.98678	3.4
89.02322	2.2
93.03334	0.5
95.01266	0.6
96.95880	0.6
101.02332	2.7
111.00774	0.6
113.02335	2.0
114.88061	0.5
116.92739	0.6
117.03362	0.8
119.03398	1.1
119.04976	0.6
121.02874	0.8
123.04454	1.2
125.02314	1.7
128.90056	1.0
131.04929	3.3
134.03618	3.2
135.04440	2.2
137.02400	1.2
137.05928	0.5
138.29715	0.5
147.04410	1.0
149.05986	1.5
151.00291	0.8
152.01038	0.7
154.72423	0.5
159.04440	1.7
160.01585	0.5
161.02374	1.1
161.04489	2.0
163.03944	0.6
173.02327	0.8
173.06075	0.5
174.03137	10.0
175.03922	100.0
176.04265	16.0
177.01843	1.7
177.04396	4.3
178.02621	1.4
179.03363	1.5
181.04930	0.6
187.03856	0.6
190.02678	0.7
191.03465	0.5
191.05461	0.6
193.05013	6.4
199.03990	0.5
200.04681	0.5
207.05023	2.4
217.05016	0.7
223.16992	0.6
243.03038	0.6
255.02997	1.5
267.16019	6.7
271.02466	2.5
271.09930	0.6
295.98859	0.5
299.99692	0.8
300.02750	3.9
301.00250	0.6
301.03360	2.1
303.06384	0.6
309.17056	2.9
321.07593	1.7
339.10941	0.5
341.26874	0.7
355.24899	2.6
357.26331	0.8
373.25864	5.9
374.26361	1.6
375.27307	3.4
375.50009	0.5
403.13791	1.3
463.08856	2.5
472.31769	0.6
473.32333	2.3
473.37207	1.1
487.34286	65.8
488.34656	10.7
633.18372	0.5
635.40979	0.6
649.39417	2.5
650.39850	0.9
695.24139	2.1
695.38824	2.8
696.23969	0.5
696.39514	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	695.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83950	0.1
57.03310	0.3
59.01250	2.0
61.98702	4.5
68.21484	0.1
71.01239	0.8
71.04881	0.2
71.51714	0.2
72.99175	0.2
73.02820	0.4
75.00740	0.4
76.06825	0.1
80.96418	0.1
83.01247	0.2
85.02827	0.4
87.00736	0.3
87.04366	0.3
88.98687	0.4
89.02317	0.6
89.03864	0.1
93.03325	0.2
96.95899	0.5
97.02791	0.2
97.06486	0.2
97.37695	0.1
99.04411	0.2
101.02326	0.8
113.02319	0.4
115.05410	0.3
117.03351	0.2
119.03381	0.3
119.04934	0.4
119.82651	0.1
123.04464	0.2
125.02299	0.5
127.07438	0.1
130.04146	0.4
131.04921	4.1
132.05309	0.2
133.02831	0.4
134.03618	0.2
135.04427	1.0
137.02345	0.2
145.02855	0.4
147.04393	1.0
149.06007	0.3
151.03952	0.2
153.09108	0.2
157.02831	0.6
158.03622	0.6
159.04402	2.0
161.02388	0.5
161.04469	0.3
162.90039	0.1
163.03926	0.3
165.01906	0.2
169.01338	0.2
169.12187	0.2
173.02385	0.6
174.01563	0.2
174.03148	11.4
175.03922	100.0
176.04268	6.3
177.01825	0.6
177.04282	0.2
177.05638	0.2
179.03424	0.9
185.11821	0.2
187.03871	0.3
189.01965	0.1
191.05501	0.2
193.04953	0.2
193.18639	0.1
200.04857	0.3
209.11748	0.2
217.05077	0.7
229.04930	0.3
265.14542	0.1
267.16028	1.4
285.20734	0.2
289.07257	0.2
299.99136	0.3
300.99945	0.3
309.17047	0.3
319.81567	0.1
325.23898	0.3
341.11417	0.1
355.24811	1.4
356.25049	0.1
357.26404	1.1
371.24329	0.3
373.25961	5.1
374.26303	0.6
375.27472	3.4
376.27869	0.4
389.28891	0.4
417.28705	0.5
473.32693	0.6
474.33200	0.1
487.34360	1.8
488.34634	0.3
695.37354	0.7
696.33099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09635	0.8
59.01249	100.0
70.07003	4.1
78.95386	1.0
78.95779	12.6
80.96384	1.7
91.23580	0.8
100.85434	0.9
194.01807	0.9
205.15808	1.2
211.17822	0.8
213.35777	0.9
236.77205	0.9
396.22787	0.9
695.30969	52.4
696.31567	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	695.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60975	0.1
57.03315	0.5
59.01251	2.7
60.93460	0.2
61.98702	5.1
69.03319	0.2
71.01250	1.4
71.04887	0.8
71.08492	0.3
72.99161	0.3
73.02810	0.5
75.00758	0.4
83.01259	0.2
85.02817	0.6
87.04389	0.4
88.98679	0.6
89.02309	0.6
93.03352	0.3
96.95892	0.4
97.02847	0.2
99.00806	0.2
99.04411	0.3
101.02302	1.3
109.02824	0.5
111.00740	0.2
113.02328	0.4
113.05967	0.2
115.05424	0.4
116.92693	0.2
119.03387	0.4
119.04909	0.5
121.02868	0.3
123.04408	0.4
125.02367	0.5
129.03329	0.2
129.84335	0.2
130.04129	0.4
131.04919	4.2
132.05258	0.2
133.02856	0.3
134.03674	0.2
135.04428	1.2
137.02295	0.3
137.09584	0.2
145.02820	0.2
147.04396	1.2
149.05930	0.2
151.03957	0.2
153.09030	0.2
155.10649	0.2
157.02818	0.3
158.03700	0.2
159.04433	1.3
161.02359	0.7
161.04466	0.4
163.03911	0.4
165.01842	0.3
165.67369	0.2
168.77495	0.2
171.10127	0.2
173.02370	0.5
174.03140	10.8
175.03917	100.0
176.04260	7.0
176.05833	0.2
177.01840	0.6
177.04449	0.6
179.03426	0.7
179.05644	0.2
181.12308	0.2
185.11815	0.4
187.03960	0.4
189.01900	0.3
191.05536	0.3
199.04013	0.2
200.04713	0.2
217.05048	0.6
229.05058	0.5
247.13489	0.4
249.14958	0.4
265.14398	0.3
267.15997	5.8
268.16330	0.5
271.02411	0.3
281.17593	0.3
285.20715	0.2
291.15921	0.4
299.99161	0.3
300.02869	0.3
300.99869	0.5
309.16998	1.8
325.23581	0.2
337.23734	0.2
355.24796	1.2
356.25165	0.2
357.26532	1.1
369.19034	0.3
371.24457	0.8
373.25906	3.8
374.26279	0.4
375.27521	3.3
376.27667	0.3
378.93506	0.2
389.29099	0.2
393.09076	0.2
417.28537	0.5
473.32559	0.5
487.34119	2.4
488.34601	0.3
695.34711	0.7
696.33618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80570	0.7
57.03313	2.0
59.01247	12.9
61.98701	41.1
65.00180	1.1
70.17210	0.8
71.01252	7.9
71.04880	0.9
73.02818	2.7
75.00728	1.7
78.95777	1.0
83.04905	1.5
85.02810	2.2
87.04395	1.6
88.98648	1.0
89.02322	3.8
92.08083	0.8
93.03313	1.5
95.01246	1.3
96.95906	0.8
99.00735	0.9
99.04420	4.6
101.02319	8.1
109.02865	1.5
113.02346	1.7
113.05929	1.0
115.05412	3.9
116.92732	1.9
119.03394	1.2
119.04909	0.8
121.02791	1.4
123.04372	1.6
125.02312	3.1
125.09567	1.0
129.18356	0.7
131.04909	5.0
133.02867	0.8
134.03613	2.1
135.04460	1.7
137.02367	1.3
137.09618	1.2
147.04382	1.4
149.05916	1.5
149.09666	0.8
153.05513	0.9
155.10670	1.4
158.03697	0.9
159.04413	11.3
160.01497	1.7
161.02351	2.3
161.04433	1.8
165.01826	1.2
165.05449	0.9
167.04904	2.1
171.10085	1.3
173.02370	1.8
174.03142	12.5
175.03922	100.0
176.04280	9.4
177.01845	2.5
177.05560	1.8
179.03479	1.4
179.05309	1.0
183.04369	1.4
189.01746	1.0
193.04961	2.4
195.04456	5.2
195.05991	0.8
196.05159	1.4
198.03099	0.9
199.03926	1.3
205.15919	1.0
207.04463	1.7
209.06039	1.0
209.11778	1.4
211.03964	5.5
212.04727	0.9
213.05466	2.4
217.04884	0.9
219.13907	1.1
221.02443	1.1
221.15463	0.8
222.03165	1.6
223.03996	7.7
224.04466	1.1
225.05482	1.1
227.03456	1.5
229.04968	0.9
229.14389	0.9
231.13963	1.5
237.14822	0.7
239.03404	7.3
240.04118	3.6
241.04904	1.8
243.02811	1.1
249.01913	0.9
249.14938	2.7
250.02534	1.8
251.03487	9.0
253.05104	1.6
255.03015	1.1
267.02969	9.1
267.15979	30.1
268.16254	1.0
268.59259	0.7
269.04510	2.8
271.02377	2.3
277.01440	2.9
278.02112	2.7
279.02975	19.8
280.03381	1.6
291.15759	0.7
295.02463	15.8
296.03146	8.0
297.03836	2.3
300.02710	3.1
301.03348	1.7
305.00897	1.8
307.02417	4.2
309.17224	4.0
309.20233	0.9
323.01956	40.0
324.02628	18.0
325.03366	7.5
337.23883	1.0
340.02158	1.2
348.06320	1.0
355.24881	10.1
356.25214	1.2
357.26355	1.3
373.25922	39.4
374.26163	3.1
375.27481	2.5
387.27594	1.7
415.27139	4.2
473.32358	1.5
486.32993	1.9
487.34277	33.8
488.34528	2.6
495.52417	1.0
639.29224	0.9
662.75439	0.8
695.23401	82.7
695.35345	5.4
696.23615	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	694.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.7
60.01580	0.2
61.01691	0.1
61.98698	100.0
62.98406	0.1
67.24279	0.1
71.50728	0.1
71.51114	0.2
75.77396	0.1
78.95777	0.5
88.98701	0.2
92.34039	0.1
121.02872	0.2
132.21324	0.1
171.10155	0.2
175.03983	0.2
209.11720	0.2
286.81635	0.1
305.97589	0.1
315.68164	0.1
416.47794	0.1
469.33347	0.2
470.33398	1.0
471.34198	1.8
472.34763	2.2
676.35046	0.2
694.37085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00142	0.3
57.03317	0.8
58.54876	0.3
58.61684	0.3
59.01254	3.0
61.98698	3.9
63.59595	0.3
68.45116	0.4
71.01252	2.4
73.02813	0.5
75.00751	0.5
78.95761	0.5
83.01257	0.5
83.04872	0.5
85.02805	1.2
87.00761	0.6
88.98682	0.6
89.02303	1.7
93.03342	0.8
95.01264	0.4
96.95898	2.3
99.00769	0.6
101.02302	1.4
104.80600	0.3
107.01273	0.4
108.02038	0.5
109.02839	0.9
111.00771	3.5
113.02344	1.1
113.53844	0.3
116.92688	0.4
117.03318	0.6
119.04877	1.7
121.02864	0.6
121.06554	0.4
123.00791	0.6
123.04432	0.7
124.01512	0.4
125.02341	2.6
129.01807	0.4
130.04146	0.5
131.04906	5.2
133.02817	0.8
135.02882	0.7
135.04424	0.8
136.98747	0.7
137.02336	1.1
139.00288	0.4
139.03957	0.4
145.02864	0.7
147.04402	1.3
150.03137	0.4
151.00296	0.7
151.03883	0.9
158.03632	1.0
159.04413	1.3
161.02362	2.5
161.04474	0.6
163.03915	1.7
165.01855	0.6
165.05498	0.4
167.03403	0.5
169.01343	1.0
171.04507	0.5
171.08115	0.5
173.02350	1.6
173.04463	1.1
174.01773	0.5
174.03134	15.9
175.03915	100.0
176.04260	5.5
177.01906	0.6
178.99745	0.4
179.03368	1.1
187.03931	1.8
189.01834	0.8
189.05478	0.4
190.02579	0.7
191.05537	0.7
197.06041	0.7
199.03842	0.5
199.07634	2.4
200.04788	0.7
201.01974	0.6
201.05560	0.8
205.05032	0.5
209.11714	0.4
217.04990	1.3
219.32722	0.4
225.05505	1.5
227.03448	0.5
229.04990	0.4
241.05028	1.5
243.06606	1.0
247.05884	0.4
255.02861	0.4
269.04636	1.8
271.02469	1.3
275.01944	0.6
287.05557	2.6
289.07303	0.7
297.11948	0.7
300.02631	1.9
300.99890	1.3
301.03265	0.6
302.00107	0.7
327.05164	2.2
329.06686	0.9
371.24158	0.9
373.25925	0.6
381.09717	1.2
389.08578	0.7
431.09769	11.0
432.10168	1.6
449.10950	1.8
463.08731	0.5
472.31281	0.4
473.32953	2.1
505.09808	1.1
533.23523	0.6
533.34955	1.5
573.14471	0.4
607.14575	6.3
608.15045	1.5
651.13416	0.6
694.33783	0.4
695.13373	1.1
695.40698	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	693.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35298	0.2
59.01249	33.9
60.01587	0.3
61.98698	4.4
70.53030	1.0
71.01244	1.3
75.00737	0.3
78.95805	0.5
85.02841	0.6
88.98705	0.2
89.02321	0.3
98.19895	0.3
101.02324	1.7
101.62170	0.3
113.02332	0.9
119.03399	0.7
123.04437	0.3
124.81463	0.2
125.02348	0.4
131.04930	0.8
143.04306	0.2
145.60603	0.2
149.05978	7.5
158.69003	0.2
161.04488	0.5
163.04010	0.4
169.74974	0.2
173.02357	0.3
174.03140	1.9
175.03920	19.7
176.04294	1.0
193.04961	2.4
210.34308	0.3
227.97061	0.2
286.52917	0.3
355.25061	0.8
373.25677	0.4
377.92172	0.2
405.31561	0.4
407.33008	0.7
423.32758	0.3
471.34775	100.0
472.35138	16.7
485.36462	0.6
513.35876	0.4
579.76422	0.3
633.40460	1.2
634.41028	0.3
693.33295	1.7
694.35577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16955	0.2
58.00472	0.2
59.01251	9.4
60.99186	0.9
61.98715	1.5
69.97887	0.7
71.01254	1.8
72.99163	0.3
78.95772	1.2
84.50988	0.1
85.02829	0.4
88.00340	0.1
89.02314	1.7
98.19907	0.2
101.02297	0.9
113.02332	0.8
119.03426	0.9
125.22887	0.2
152.99489	0.4
161.04375	0.2
179.05466	0.3
180.37086	0.2
209.11783	0.3
210.12123	0.3
233.26601	0.2
233.41203	0.2
270.34067	0.2
289.18042	0.2
292.16602	0.2
382.69690	0.1
404.00699	0.1
425.34174	0.5
443.86938	0.2
453.33792	1.5
454.34036	0.3
471.34760	100.0
472.35123	19.1
661.36353	0.5
662.35748	0.2
693.38184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	35.8
60.01581	0.4
61.98692	0.9
69.68857	0.1
71.01261	0.5
72.99206	0.2
78.95783	0.2
89.02332	0.4
101.02308	0.8
103.58464	0.1
113.02325	0.4
119.03407	0.5
161.04428	0.2
221.06635	0.2
242.51991	0.1
393.31586	0.2
438.49295	0.1
447.62189	0.1
471.34732	100.0
472.35104	17.7
472.42188	0.2
485.36130	0.2
513.36011	0.1
633.39819	1.0
634.40271	0.3
693.42841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4216
Annotation	Scrophoside A
Peak:m/z	Relative Intensity
50.49632	0.4
55.01751	0.9
55.65770	0.4
56.81094	0.4
57.03324	1.1
59.01251	100.0
60.01594	1.0
61.98703	26.8
68.99703	0.5
71.01255	20.1
71.51857	0.9
72.01587	0.5
72.99168	1.0
73.02824	5.2
75.00755	1.2
78.95778	3.2
81.03364	0.4
83.01273	2.5
85.02827	8.8
85.03306	0.8
87.00758	1.2
88.98670	0.5
89.02319	4.1
95.01278	1.6
96.95923	1.1
97.02861	0.7
99.00762	2.7
101.02322	15.3
109.02885	0.5
113.02334	9.2
113.03082	0.7
119.03391	2.3
123.04401	0.6
125.02321	1.5
125.18285	0.5
131.03403	0.6
143.03419	1.8
149.06081	0.4
158.01852	0.4
159.02895	2.4
161.02379	0.8
161.04469	21.5
165.01833	0.6
165.05458	0.9
171.10205	1.1
174.03152	0.7
175.03900	3.1
177.01776	0.6
179.05536	1.4
188.93623	0.4
190.02657	0.6
191.03394	0.7
191.25897	0.5
205.03502	1.1
209.11758	1.3
211.13376	1.6
213.11275	0.4
282.14389	0.5
295.22586	0.5
300.99921	1.2
301.03040	0.5
379.59869	0.6
469.33698	0.8
470.33701	0.7
471.34863	58.4
472.35294	8.7
485.36212	1.3
513.35754	1.4
530.09509	0.5
530.63849	0.5
633.40100	20.7
634.40167	3.7
677.39417	1.0
693.22107	0.9
693.33862	1.8
693.42450	3.3
694.23517	0.6
694.33838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.3
59.01249	30.3
60.01588	0.2
61.98713	0.5
68.99667	0.1
69.55233	0.1
70.28513	0.2
70.28873	0.3
71.01262	0.9
72.99178	0.2
73.02841	0.1
78.95790	0.3
81.85989	0.1
82.55253	0.1
85.02831	0.3
89.02325	0.7
95.01316	0.2
98.19842	0.2
101.02321	1.2
110.20018	0.1
113.02328	0.8
119.03391	0.6
140.43497	0.1
144.54869	0.1
161.04480	0.5
175.03914	0.1
189.64244	0.1
209.11787	0.2
211.13286	0.2
221.06682	0.2
295.22678	0.6
393.31693	0.4
423.32693	0.6
471.34747	100.0
472.35098	17.6
485.36163	0.7
486.36560	0.2
511.95374	0.1
513.35736	0.4
633.11938	0.1
633.39929	1.3
634.40656	0.3
693.43060	0.7
694.42303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74911	0.2
58.00478	0.2
59.01251	25.7
60.01587	0.3
61.72763	0.2
61.98703	9.4
66.95379	0.1
70.89989	0.3
71.01251	1.2
72.99190	0.4
75.00758	0.2
78.95787	0.6
83.01278	0.3
85.02811	0.3
87.00776	0.2
88.35130	0.1
89.02319	0.6
91.41252	0.1
96.95845	0.2
100.88518	0.1
101.02325	1.3
113.02327	0.3
115.21965	0.1
119.03410	0.7
121.02850	0.1
125.02369	0.3
131.04898	0.1
149.05989	0.3
152.99478	0.2
161.04419	0.3
168.26166	0.2
169.01360	0.1
174.03139	0.2
175.03912	1.8
189.01794	0.2
190.02686	0.2
195.13922	0.2
197.11884	0.2
209.11833	0.5
211.13321	0.2
271.02481	0.2
282.91785	0.2
293.21136	0.9
294.21609	0.9
295.21878	0.7
296.71072	0.2
298.98514	0.2
300.02747	0.5
300.99973	0.2
301.03384	0.3
347.05566	0.3
397.13242	0.2
416.14798	0.2
417.15109	0.2
459.33853	0.2
469.32861	0.3
470.33624	0.3
471.34778	100.0
472.35132	16.1
485.36868	0.2
487.30444	0.2
513.36243	0.3
531.29382	0.2
633.40173	1.0
649.36218	0.3
693.21655	0.5
693.34406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08064	0.2
59.00956	0.3
59.01250	5.3
60.56195	0.2
61.98701	6.4
62.96330	0.2
71.01259	1.3
71.05802	0.5
73.02811	0.4
75.00739	0.3
75.04553	0.2
76.20823	0.3
78.95781	1.1
85.02816	0.3
88.98666	0.5
89.02308	0.6
96.95870	0.5
97.02805	0.3
101.02340	1.2
113.02335	0.5
114.18609	0.2
115.05405	0.7
116.92756	0.3
117.03369	0.4
119.04928	0.4
123.04397	0.6
125.02348	0.4
125.09608	0.5
130.04121	0.4
131.04903	3.0
133.02849	0.3
135.04451	0.3
137.02342	0.3
138.01895	0.3
145.02859	0.3
147.04420	1.0
149.05988	0.5
150.03137	0.4
151.10985	0.3
152.99516	0.5
153.05478	0.5
155.10686	0.4
157.02905	0.5
158.03625	0.4
159.04387	1.7
161.02257	0.5
161.04485	0.3
165.05464	0.4
169.12202	0.5
171.10190	1.0
173.02313	0.5
174.02013	0.3
174.03136	10.1
175.03915	100.0
176.04247	4.8
177.01843	0.3
179.03400	0.3
187.03992	0.4
190.02745	0.2
193.04997	0.6
195.06505	0.3
203.36267	0.3
205.05080	0.4
207.04996	0.9
209.11812	0.7
217.04996	0.7
227.12849	0.3
229.05052	0.4
229.14316	0.4
243.02879	0.3
255.02850	0.5
271.02515	0.9
300.02591	1.9
301.00095	0.3
301.03568	0.8
329.04721	1.1
336.32101	0.3
339.25357	0.3
341.23318	0.4
345.03897	0.3
346.04749	2.3
347.05481	1.6
353.23248	1.6
355.24844	1.0
371.24304	7.5
372.24750	0.6
373.25888	4.0
387.27545	0.4
389.06839	0.3
413.25311	0.6
415.27069	0.4
441.30063	0.8
463.08643	1.5
471.30978	9.9
472.31387	1.7
485.32712	18.4
486.33066	2.6
487.34637	0.3
693.21979	1.4
693.35913	2.2
694.22296	0.4
694.36566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86339	0.2
55.01758	0.6
57.03299	0.8
58.00464	0.8
59.01247	19.0
60.01563	0.3
61.98696	6.2
69.03318	0.7
69.33276	0.9
69.33697	1.5
71.01247	11.4
72.99165	1.0
73.02808	1.8
75.00733	0.3
78.95786	0.5
81.03335	0.6
83.01254	1.4
85.02824	2.7
87.00755	2.2
88.98640	0.3
89.02314	9.6
90.23078	0.3
95.01237	0.7
97.02848	1.2
99.00753	0.6
101.02320	7.7
109.02855	0.3
111.04338	0.4
112.27258	0.2
113.02322	4.0
113.09603	1.6
115.74998	0.2
119.03367	2.8
123.00776	0.3
125.02341	3.4
131.03378	0.4
139.44704	0.2
143.03365	1.1
158.09993	0.2
161.04462	1.8
167.03491	0.3
175.03964	0.7
177.12717	0.4
179.05513	2.0
179.14272	0.7
184.79851	0.2
195.13826	12.9
196.14125	0.6
209.11734	2.2
211.13376	1.5
221.06606	0.8
227.12903	0.5
235.08195	2.5
251.23564	0.3
253.09218	1.2
263.07666	0.6
277.21698	12.1
278.22025	1.2
287.07858	0.6
295.22751	100.0
296.23111	9.2
304.22018	0.3
305.08768	0.5
323.09912	0.6
397.13467	18.4
398.13757	1.4
409.74588	0.3
415.14532	20.6
415.85034	0.3
416.14987	1.5
453.30286	0.3
470.33749	0.3
471.35425	2.9
472.34772	0.5
487.34174	0.3
607.40942	0.3
622.17773	0.3
693.34747	1.0
694.34467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	10.8
61.98700	3.0
65.47352	2.7
69.33011	20.4
71.01241	7.7
72.62379	2.6
75.00731	13.0
82.02837	4.4
83.01248	3.1
87.00703	3.3
88.98698	3.3
89.02320	3.4
93.03286	3.2
94.02860	27.5
96.95890	5.9
97.81851	2.7
98.19774	5.9
98.92250	2.8
99.00749	2.7
101.02308	3.1
106.06499	3.8
107.03654	7.7
108.04427	7.4
108.64981	2.5
109.02824	4.5
110.05987	6.2
113.02319	3.9
113.77547	2.6
119.04889	6.3
120.08064	10.6
121.02888	3.4
122.05996	51.9
124.07565	6.9
125.02338	8.8
132.04396	8.5
134.05994	8.6
135.01936	3.8
135.02896	41.7
135.03920	4.0
135.04408	7.8
136.07581	25.4
137.02379	4.7
138.05510	20.5
139.03944	3.2
140.07037	3.5
150.05493	8.0
152.07069	100.0
153.07394	3.7
158.02357	4.5
161.02353	5.6
161.04558	3.2
163.03864	5.0
168.06567	56.3
169.01347	3.3
175.03883	4.8
177.01866	4.1
180.06544	6.0
188.07025	4.6
190.02762	3.1
190.04996	24.6
191.05563	4.5
192.06570	3.6
205.05249	2.6
239.11887	5.9
249.10173	6.4
251.11736	5.9
253.09673	4.1
255.11433	3.3
263.08292	5.9
264.08957	3.7
265.09888	3.4
267.11081	3.1
277.09717	10.7
277.12177	6.6
278.10623	21.2
279.08151	3.5
279.11209	10.3
280.08438	3.6
283.10785	12.8
290.35275	3.0
291.11298	9.6
292.12216	5.9
293.09433	4.5
293.12897	4.1
294.10156	4.0
295.10828	25.3
297.12405	3.6
300.99939	5.2
307.10712	6.5
309.15042	3.4
323.10242	3.5
325.11813	5.0
341.11282	4.2
355.13031	34.3
356.13278	6.0
357.14420	3.0
386.14825	3.3
426.18173	3.0
439.13489	5.0
442.17471	3.7
443.18170	8.3
447.17599	3.2
448.18420	11.1
460.18661	12.2
464.18219	3.8
472.46381	3.3
487.17767	4.9
492.17834	32.0
493.18045	5.6
504.17642	29.4
505.17960	6.7
523.19574	4.9
524.20282	23.1
525.20911	4.6
536.20337	20.7
537.21082	5.0
539.22961	5.9
555.22626	3.3
557.23907	3.3
571.24487	3.5
599.25012	8.4
601.23035	12.6
615.24432	8.4
617.26355	8.2
625.22461	3.3
633.25299	16.4
643.24121	38.3
644.24335	6.7
647.26807	4.4
661.24872	21.2
675.27728	18.2
676.27063	4.6
693.29034	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	693.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
57.03319	1.2
59.01249	37.9
60.13178	0.8
61.98699	19.5
69.03315	1.2
71.01250	14.4
71.51047	0.8
72.99190	1.9
73.02811	2.4
75.00756	1.3
78.95777	3.8
79.37447	0.8
83.01267	1.2
83.04898	0.9
83.65073	0.7
85.02838	3.2
87.00764	3.1
88.98684	1.6
89.02305	10.9
96.95908	1.9
97.02862	2.0
101.02313	9.0
109.02789	0.8
113.02341	5.6
113.09541	1.3
119.03389	3.5
121.02834	1.4
125.02334	3.9
143.03381	2.1
152.99513	1.7
161.04449	2.3
171.10162	1.3
175.03929	4.3
179.05527	2.6
179.14346	1.0
195.13824	13.7
209.11768	11.5
210.12170	1.2
211.11493	1.6
211.13347	20.2
212.13622	2.3
227.12819	3.8
235.08180	3.8
253.09285	3.3
277.21710	12.0
295.22763	100.0
296.23114	8.3
305.08484	1.2
397.13486	20.2
398.13910	1.2
415.14575	18.8
416.15048	1.9
447.22235	2.3
471.34882	59.3
472.35239	6.7
473.98123	1.0
485.32785	1.1
517.29767	0.9
633.40198	1.1
693.33228	6.9
694.34668	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	693.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.5
58.00451	0.8
59.01247	41.0
61.98386	0.6
61.98699	12.3
71.01249	9.0
71.51163	0.5
72.99194	0.8
73.02814	1.4
75.00747	0.6
78.95760	3.5
83.01256	0.8
83.04908	0.7
85.02824	2.4
87.00736	1.6
88.98669	1.0
89.02312	6.3
93.03308	0.5
95.01255	1.0
95.70721	0.4
96.95870	1.2
97.02803	0.7
101.02312	5.0
102.06197	0.4
113.02326	3.1
113.09615	0.4
119.03384	2.8
121.02811	0.6
125.02367	2.5
134.03662	0.4
143.03352	0.8
152.99504	1.5
161.02365	0.6
161.04437	1.5
165.05440	0.7
165.65150	0.5
171.10194	0.8
174.03111	0.8
175.03931	3.4
179.05502	2.0
193.05003	0.6
195.13837	6.3
209.11790	8.4
210.12228	0.6
211.13336	12.6
212.13673	0.7
221.06604	0.7
227.12817	2.0
235.08234	2.9
253.09282	1.4
277.21753	6.1
278.22086	0.8
295.22760	49.6
296.23114	3.9
300.99673	0.8
357.26685	0.5
397.13443	9.8
398.13828	0.6
415.14557	11.5
416.14728	0.6
418.14362	0.5
447.22476	2.7
470.33783	0.8
471.34784	100.0
472.35199	10.7
485.36664	0.5
633.39465	1.2
693.32306	3.8
694.33264	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	693.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.5
61.98700	2.3
63.02195	0.1
69.15586	0.7
69.16017	0.6
71.01241	0.5
73.02801	0.2
75.00752	0.6
78.73404	0.1
78.95767	0.3
85.02807	0.1
87.00774	0.2
88.98658	0.5
89.02312	0.2
91.00134	0.1
95.04960	0.1
96.95874	0.2
97.01425	0.1
98.20551	0.3
101.02304	0.4
113.02337	0.2
117.03405	0.2
119.04899	0.3
120.99506	0.2
123.04412	0.1
125.02330	0.4
125.09593	0.3
129.03349	0.2
130.04147	0.4
131.04919	3.8
132.05299	0.1
133.02824	0.2
135.04379	0.3
137.02296	0.2
145.02864	0.2
147.04453	0.8
149.05942	0.3
150.03117	0.3
152.02385	0.1
157.02882	0.4
158.03589	0.3
159.04402	0.5
161.02454	0.2
163.03847	0.2
171.10159	0.3
173.02388	0.6
174.03137	11.6
175.03914	100.0
176.04256	5.0
177.01784	0.3
179.03348	0.2
187.03944	0.4
189.01759	0.3
195.06558	0.2
199.04016	0.2
200.04710	0.3
209.11751	0.4
211.13469	0.2
217.05011	0.7
229.05029	0.4
229.14459	0.2
269.04495	0.1
271.02481	0.4
300.02737	0.5
301.00089	0.1
301.03418	0.3
311.05643	0.2
323.01553	0.2
353.23264	0.2
355.24881	0.7
371.24353	1.1
373.25916	4.4
374.26349	0.4
387.27579	0.2
415.26971	0.4
441.30234	0.3
471.30594	4.4
472.31192	0.7
485.32468	0.3
488.34909	0.2
633.35712	0.3
667.41473	0.2
693.22375	0.3
693.35449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47622	0.7
59.01253	1.2
69.23276	6.6
71.01253	1.0
75.00751	1.6
80.04926	7.1
94.02847	6.2
94.06484	1.5
104.04932	2.9
106.06519	3.7
107.03661	2.1
108.04433	2.8
117.32259	0.6
118.06484	0.6
119.04861	1.1
122.06013	17.9
123.06340	0.7
124.07573	0.8
125.02316	1.0
125.39272	0.7
132.04466	1.4
133.02904	0.9
134.06021	9.8
135.02914	3.6
135.04417	0.8
136.07590	3.4
136.61833	0.7
136.64531	0.6
138.05447	1.3
139.02608	1.1
146.06009	2.5
148.03918	2.9
150.03113	0.7
150.05536	1.2
151.03879	0.8
152.07077	48.2
153.07376	1.9
159.04329	0.7
160.03952	2.2
161.02319	0.9
162.05550	1.3
164.27518	0.7
166.04938	0.7
173.04652	1.3
174.05531	2.6
175.03932	2.3
177.05484	1.1
180.06602	6.8
186.05527	2.0
188.07091	18.0
189.07375	1.1
190.05002	0.8
190.86957	0.7
197.10718	0.6
210.07768	0.8
211.08739	3.2
213.10226	1.0
221.10812	0.9
223.08717	0.8
223.12323	1.1
224.09468	1.9
225.10184	4.8
226.10870	1.1
227.11824	6.0
235.08751	0.9
237.10309	2.0
238.07401	2.6
239.08096	1.2
239.11818	2.2
245.12970	4.8
247.39204	0.7
249.10272	2.0
250.07310	0.9
251.08212	2.6
251.11874	3.3
252.08997	2.3
253.09782	9.8
263.08463	0.8
264.09039	1.3
265.09900	3.2
266.10605	1.1
267.11362	5.3
277.09842	3.0
277.22803	0.7
279.07727	4.1
279.11389	2.9
280.08487	1.4
292.08530	1.2
293.09195	3.5
294.10080	5.1
295.10889	39.4
296.11215	4.2
300.99945	0.8
307.10901	17.4
308.11160	1.7
313.11887	2.2
321.08871	1.2
323.10312	3.3
325.11996	1.1
330.12433	0.7
336.12982	1.2
338.09229	0.9
339.09738	1.7
351.09717	1.0
355.12585	1.1
364.20361	0.8
368.80444	0.8
390.18124	1.3
392.19760	2.1
417.41623	0.7
418.17532	1.6
432.19366	4.6
433.19537	0.9
436.18658	1.9
440.15512	1.0
458.17459	1.0
460.18753	37.3
461.19031	6.8
463.17477	1.2
476.18134	2.5
486.16681	1.0
504.17767	100.0
505.18103	16.4
536.20367	70.8
537.20667	14.1
628.30145	1.0
640.25641	0.7
643.24396	1.0
661.25464	0.8
675.19513	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	691.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05891	0.1
58.00449	0.2
59.01246	37.6
60.01581	0.2
61.98695	1.5
70.89024	0.2
71.01260	0.8
71.04890	0.3
72.99192	0.2
73.02824	0.2
78.95774	1.1
83.04871	0.1
85.02833	0.5
88.74790	0.1
89.02325	0.6
93.89042	0.1
95.04903	0.2
101.02313	1.3
102.26250	0.1
105.88866	0.1
113.02289	0.9
119.03408	0.7
133.02876	0.2
152.99513	0.5
161.04491	0.6
174.03146	0.2
175.03888	1.5
209.11848	0.2
221.06650	0.3
293.21045	0.4
405.31342	0.3
439.32114	8.3
440.32510	1.1
465.05676	0.4
465.34045	0.2
466.06284	0.7
469.33163	100.0
470.33517	15.2
511.34308	0.2
546.09998	0.2
628.11713	0.7
631.38464	1.5
632.38751	0.3
691.41217	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	693.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.8
61.98705	2.0
69.88899	0.7
69.89297	1.4
71.01254	1.9
73.02811	0.9
75.00754	0.9
85.02808	0.6
87.00712	0.5
89.02333	1.1
96.95892	5.8
98.95470	2.4
101.02335	1.0
109.02824	1.7
112.10647	0.5
113.02330	0.5
116.92701	0.5
119.04861	0.6
123.04360	0.7
125.02338	1.1
126.61477	0.4
133.58949	0.5
135.02890	1.6
135.04424	1.5
135.06566	0.6
137.02333	0.5
145.02859	0.5
150.03108	0.5
151.03818	0.8
154.07698	0.5
160.01537	0.6
161.02409	1.1
163.03873	0.7
163.53886	0.5
169.01341	0.7
174.03154	0.7
175.03864	1.1
177.01900	0.5
179.03433	0.5
183.04459	3.0
191.05119	0.4
194.03645	0.4
194.74100	0.4
195.04349	0.8
196.05179	1.5
197.06013	1.6
198.03183	0.4
200.04723	0.6
200.42592	0.4
200.69446	0.5
202.02679	1.1
207.04416	0.5
209.05940	0.6
209.11687	0.7
210.06342	0.5
211.03917	1.8
212.04723	1.0
221.04207	0.5
222.03180	13.3
223.03816	2.4
223.05896	0.6
224.04683	1.6
225.05527	3.7
226.06174	0.5
229.49707	0.5
235.04010	2.4
236.29298	0.4
237.05524	1.3
239.03513	3.0
240.04190	4.1
241.04845	0.7
250.02682	15.1
251.03349	4.3
252.04230	2.2
253.04982	4.1
259.06256	0.8
263.03491	1.8
265.14346	0.6
267.02954	2.0
268.03760	1.9
278.02206	18.8
279.02921	9.9
280.03564	2.6
281.04514	3.4
295.02377	2.7
296.03201	3.3
297.11926	3.5
300.99854	0.5
306.01730	1.6
307.02481	19.0
308.03009	3.4
308.93439	0.5
323.01917	2.6
323.07797	0.5
324.02719	100.0
325.03458	89.3
326.03824	7.7
330.35779	0.5
335.02014	1.2
369.09692	1.5
413.21466	0.8
448.88589	0.5
487.08783	27.0
488.09024	3.9
501.10260	1.1
693.14502	45.6
693.34021	1.6
694.14886	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	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21629	0.8
70.27155	0.8
78.95773	41.5
79.03983	1.0
79.96857	0.8
80.02537	2.1
81.03316	2.0
83.04886	9.4
84.02026	1.5
95.04931	0.8
96.96823	3.6
135.08061	0.9
138.44923	1.0
152.99489	57.4
153.99838	0.9
163.11201	5.5
165.12750	4.4
171.00536	6.5
181.12303	1.0
187.71977	1.1
191.10646	1.5
209.11757	100.0
210.12183	5.8
227.03230	4.8
227.12842	9.6
245.04169	2.2
253.21689	19.1
254.22015	1.0
277.21722	1.9
362.38577	0.9
363.12143	7.0
398.72513	0.9
437.15826	5.5
440.16864	1.0
455.16852	81.7
456.17239	7.1
623.02045	1.0
691.38208	65.8
692.38623	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	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03542	0.4
57.03325	0.5
59.01239	2.0
61.20027	0.4
61.98694	1.8
62.96270	0.5
65.77645	0.4
70.36781	1.6
73.29070	0.4
73.58143	0.4
78.95776	100.0
79.72118	0.4
81.03352	0.5
83.04903	2.0
95.04848	0.4
96.96841	8.7
97.06449	0.5
108.08738	0.4
109.06446	0.4
112.86935	0.4
113.09605	1.7
125.05974	0.4
134.98448	1.3
150.97876	0.8
152.99486	54.5
153.99800	1.5
163.11182	2.0
165.12770	0.9
170.40787	0.4
171.00496	0.6
179.14293	0.7
181.12256	1.0
191.10677	0.6
195.13834	13.6
196.14153	1.2
209.11769	30.6
210.12108	2.3
227.12816	4.7
241.29892	0.4
277.18628	0.6
277.21710	11.3
278.21915	0.6
293.21185	0.9
295.22772	41.5
296.23151	3.8
298.95364	0.4
363.12057	5.6
381.13278	0.6
395.14685	5.2
413.16006	0.5
420.98419	0.9
428.49179	0.4
431.21994	23.4
432.22183	3.1
449.23111	8.5
450.23721	1.3
469.33191	0.9
505.81082	0.4
659.35638	49.8
660.35870	9.2
691.38208	26.4
692.38239	5.7
707.70038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.6
58.00460	1.2
59.01247	33.1
60.99184	0.8
61.98702	10.8
69.03297	0.8
70.24366	0.8
70.24724	2.4
71.01247	14.8
72.99171	4.5
73.02812	2.5
78.95773	7.7
83.01250	1.7
85.02808	3.0
87.00742	2.3
88.98691	3.0
89.02312	12.5
95.01257	0.9
96.95890	1.5
97.02827	1.4
99.00773	1.1
101.02320	11.8
113.02343	5.5
119.03400	4.3
123.04435	0.9
125.02336	4.6
133.05048	0.6
135.02878	1.0
143.03384	1.5
147.04393	0.8
149.02434	0.8
152.99493	4.2
161.04443	2.8
169.12286	0.8
171.10124	1.7
175.00240	0.6
175.03896	6.2
179.05516	2.1
179.14417	0.7
181.12215	0.6
185.11758	0.7
190.02585	1.0
195.13864	7.3
196.14211	0.6
197.11671	0.7
201.11288	1.1
205.05026	1.5
205.12376	0.9
209.11720	5.5
210.12083	1.1
211.13339	1.4
221.06357	0.6
223.13318	5.8
225.11320	1.0
227.12924	0.7
235.08122	3.2
253.09192	1.0
256.12939	1.1
263.07855	0.6
275.20120	5.1
287.07693	0.8
291.19650	0.8
293.21210	100.0
294.21552	8.9
300.99805	0.9
381.95786	0.6
389.28687	0.8
397.13480	21.1
397.18652	1.1
398.13733	2.2
415.14532	23.7
416.14917	1.9
416.56213	0.7
423.32794	1.3
426.31454	0.7
457.33206	2.7
469.33307	49.0
470.33698	8.5
659.32336	0.7
691.34338	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	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34948	0.3
58.00462	0.5
59.01245	4.3
61.98701	2.1
68.85204	0.3
71.01260	3.3
72.99163	0.7
73.02806	0.9
75.00750	0.4
80.02544	1.4
81.03314	0.9
81.78886	0.3
83.01224	0.5
83.04900	3.3
84.02061	0.5
85.02846	0.6
87.00721	0.5
89.02334	1.8
96.95885	1.3
101.02306	1.9
107.04898	1.4
109.02806	0.6
113.02316	1.0
115.00231	0.4
119.03378	0.5
121.02813	0.5
125.02332	1.3
125.09601	0.9
125.10477	0.3
127.11172	1.0
134.03601	0.4
135.02902	0.8
135.04436	0.9
135.08012	1.2
137.02306	0.9
137.09589	0.3
138.05531	0.4
145.04985	0.4
145.06354	0.3
146.03738	0.4
151.00256	0.4
161.02403	0.8
161.04488	1.4
163.11195	3.0
165.09096	0.5
165.12755	1.9
169.01349	0.4
171.10138	1.7
173.04424	0.4
175.03891	1.1
179.05656	0.3
181.12224	0.8
183.10144	0.5
191.10658	0.8
201.11255	24.3
202.11694	1.6
209.11763	100.0
210.12112	7.8
222.08893	0.5
223.09663	1.1
225.11160	0.4
227.12828	13.5
228.13115	1.0
231.20877	0.3
235.08191	2.1
237.11337	0.6
247.13541	0.5
253.09259	8.0
254.09778	0.5
255.02905	0.4
271.02490	1.2
298.19208	0.4
300.02838	2.2
300.99890	0.4
301.03256	0.6
328.14499	0.4
328.60089	0.4
345.16992	3.7
346.17392	0.7
357.26456	0.5
437.20190	0.7
445.20633	1.9
615.75488	0.4
629.18457	1.8
691.34363	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.4
57.03304	0.7
58.00463	1.1
59.01250	19.7
60.01566	0.2
61.98684	0.8
69.03298	0.6
69.71611	0.2
71.01254	12.4
71.04890	0.3
72.14851	0.2
72.99167	0.9
73.02824	1.8
75.00771	0.3
81.03323	0.4
83.01241	1.1
83.72416	0.2
85.02814	2.6
85.99943	0.2
87.00742	2.6
89.02315	11.0
89.54992	0.2
93.03349	0.2
95.01272	1.0
95.04819	0.2
97.02811	1.5
99.00745	0.9
101.02323	9.9
109.02799	0.4
111.00755	0.2
111.04370	0.3
111.08047	0.2
113.02328	4.7
113.09603	0.3
115.03879	0.2
119.02589	0.3
119.03388	3.1
125.02332	3.1
128.17068	0.2
131.03381	0.6
133.04967	0.2
139.03946	0.2
141.01843	0.3
143.03395	1.7
144.62144	0.2
149.04422	0.2
150.83124	0.2
161.04466	2.4
167.03447	0.2
167.10753	0.3
175.03951	0.9
177.16249	0.2
179.05507	2.1
179.14313	0.8
185.04410	0.2
195.13826	7.2
196.14452	0.8
205.12286	0.6
205.15993	0.4
209.11734	0.4
211.13333	0.5
217.07248	0.3
218.24834	0.2
221.06570	0.9
223.13341	4.8
224.13661	0.5
225.14812	0.3
228.13521	0.5
231.21021	0.3
235.08209	3.0
253.09271	1.2
256.13214	0.9
263.07697	0.6
265.21735	0.4
275.20169	3.9
276.20575	0.2
287.07797	0.9
293.21204	100.0
294.21533	9.9
305.08670	1.0
317.21289	0.3
323.09616	0.4
348.93027	0.2
361.11331	0.3
373.79102	0.2
379.12656	0.3
393.69818	0.2
397.13474	21.3
398.13788	2.2
415.14545	23.9
416.14841	2.6
423.32635	0.6
469.33197	10.9
470.33640	1.7
654.27240	0.6
691.35699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
57.37714	0.4
59.01245	7.3
61.98697	11.0
69.03318	0.4
69.97897	1.4
71.01253	7.4
72.99205	0.7
73.02821	2.1
75.00719	0.4
78.95774	1.4
80.02541	1.0
81.03316	1.4
83.01257	1.2
83.04900	5.2
84.02055	1.3
84.32232	0.4
85.02833	2.3
85.98153	0.4
87.00764	2.2
88.98662	0.6
89.02310	3.7
93.03331	0.7
93.50922	0.5
94.71959	0.4
95.01241	0.9
95.04916	1.9
96.95898	1.0
97.02831	0.6
97.06459	5.0
101.02308	4.5
109.06441	0.5
113.02338	2.4
118.06163	0.4
119.03423	1.0
119.04932	1.1
123.04375	0.9
123.08036	0.7
125.02322	1.2
125.05953	0.7
125.09604	0.6
131.03424	0.5
131.04907	2.0
133.10133	0.6
135.04472	0.8
135.07988	0.4
145.02924	0.5
145.05005	0.6
147.04440	0.5
149.05936	0.5
149.09660	0.8
151.11183	14.9
152.11542	1.1
152.99562	0.7
153.05502	0.8
159.04344	0.6
161.04466	1.9
163.11201	4.6
165.12779	2.3
169.12251	66.1
170.12601	3.6
171.10168	1.1
172.10637	0.6
173.02342	0.8
174.03140	5.8
175.03915	53.1
176.04218	2.9
179.05586	0.5
181.12283	0.9
185.11688	0.5
191.10843	0.9
195.10185	2.6
207.10313	0.6
209.11761	61.2
210.12105	4.7
211.13315	1.3
213.11250	9.5
217.04852	0.4
217.43677	0.4
225.11241	0.5
227.12846	5.7
235.08226	1.2
252.98267	0.4
253.09230	4.4
287.68735	0.4
315.75143	0.4
337.24033	1.0
353.23230	0.8
359.27878	0.8
371.24368	2.2
379.24918	0.5
386.72632	0.5
389.23828	0.5
391.93332	0.4
402.47305	0.4
431.19199	2.2
449.20297	4.5
469.29184	0.9
497.28192	0.5
507.88361	0.5
631.35193	0.7
637.32031	1.0
641.31366	1.3
659.32800	100.0
660.33130	18.5
691.35364	6.3
692.35248	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	691.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	32.0
61.25317	2.6
61.98702	40.8
71.01243	10.3
71.50105	4.3
78.95773	75.1
83.01281	2.9
83.04885	3.6
85.02813	5.5
89.02312	5.2
93.53686	2.6
96.96837	7.1
101.02337	4.6
113.02325	4.1
119.03387	2.9
119.41978	2.3
135.04410	3.4
151.00360	2.9
152.98305	3.6
152.99458	29.5
161.04416	3.1
171.10133	8.2
174.03056	3.1
175.03896	11.9
196.35867	2.3
207.10204	3.4
209.11766	100.0
210.12125	12.8
211.13365	5.9
223.13275	2.7
225.11235	3.2
227.12885	16.2
235.08089	3.6
253.09256	4.4
293.21140	8.2
363.69836	2.8
379.11499	6.7
392.98758	4.8
420.98392	9.4
445.20416	5.3
447.21564	4.1
469.27039	4.3
469.33261	68.1
470.33389	9.8
673.33514	15.6
674.33441	4.1
691.33240	20.0
692.33179	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	691.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	32.0
61.25317	2.6
61.98702	40.8
71.01243	10.3
71.50105	4.3
78.95773	75.1
83.01281	2.9
83.04885	3.6
85.02813	5.5
89.02312	5.2
93.53686	2.6
96.96837	7.1
101.02337	4.6
113.02325	4.1
119.03387	2.9
119.41978	2.3
135.04410	3.4
151.00360	2.9
152.98305	3.6
152.99458	29.5
161.04416	3.1
171.10133	8.2
174.03056	3.1
175.03896	11.9
196.35867	2.3
207.10204	3.4
209.11766	100.0
210.12125	12.8
211.13365	5.9
223.13275	2.7
225.11235	3.2
227.12885	16.2
235.08089	3.6
253.09256	4.4
293.21140	8.2
363.69836	2.8
379.11499	6.7
392.98758	4.8
420.98392	9.4
445.20416	5.3
447.21564	4.1
469.27039	4.3
469.33261	68.1
470.33389	9.8
673.33514	15.6
674.33441	4.1
691.33240	20.0
692.33179	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	691.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52849	1.7
54.98840	1.5
56.32706	1.7
59.01253	15.6
60.46822	1.5
61.98703	28.5
71.01250	11.6
71.52129	3.3
73.02811	3.5
75.00769	2.6
77.25401	1.5
77.65477	1.4
78.04790	1.6
78.95767	2.2
80.04933	10.6
83.01263	2.1
85.02802	3.5
87.00737	2.1
88.98681	2.2
89.02311	3.5
93.03319	4.4
94.02869	18.9
96.72124	1.5
96.95889	19.0
98.19029	1.3
99.04393	2.1
101.02313	4.4
104.04900	2.1
106.06528	3.9
108.02010	1.9
108.04432	1.6
108.08085	4.4
109.02846	3.3
113.02347	2.9
116.96627	1.6
121.02856	2.3
121.05257	4.1
122.06013	2.2
123.04431	2.2
124.03912	1.6
125.02328	4.1
132.04466	1.7
133.02879	1.7
134.03600	2.7
134.05998	3.4
135.02936	1.7
135.04408	6.0
136.03967	2.6
136.07578	70.4
137.02374	3.5
137.07906	2.2
138.05490	5.3
146.03635	4.5
149.06001	8.2
150.05469	3.7
151.00276	2.1
161.02357	6.9
161.04491	3.1
163.03955	2.7
164.04712	3.6
169.01355	2.1
171.10133	2.3
173.04604	1.6
174.03142	5.5
175.03873	20.1
179.05681	1.7
179.07063	7.1
185.11774	3.2
187.04012	2.0
188.07013	2.6
190.02589	1.9
193.04976	3.3
199.13393	2.0
201.10243	2.8
205.05055	2.5
209.11845	9.2
210.12070	2.0
211.12645	1.6
213.10220	2.1
227.11787	2.6
229.09746	7.0
229.13423	11.0
237.10135	1.9
239.11908	5.0
249.10350	2.3
251.08249	2.2
253.09734	3.1
255.11354	3.2
257.12888	3.3
263.08157	1.8
265.09805	6.3
267.11404	3.2
273.12375	2.6
277.09741	2.9
278.06918	4.9
278.09888	1.7
279.07745	6.4
279.11426	4.6
289.12296	1.9
293.09323	17.6
294.09940	7.4
295.10852	5.1
297.12418	4.5
300.99789	3.1
301.11990	9.2
301.94458	1.6
304.30118	1.8
307.10907	6.3
309.12454	6.1
319.06476	2.1
319.13046	24.1
327.13419	2.8
337.08380	7.4
339.09891	1.9
340.27890	1.8
346.04721	2.6
357.26346	3.8
371.24112	3.0
373.25848	3.7
374.15015	5.6
392.16296	2.6
400.16736	2.5
402.97052	1.8
415.18820	3.1
416.15735	3.6
428.15997	4.4
442.17810	3.9
443.18527	5.6
444.19177	4.7
446.17294	1.6
458.20892	6.4
460.18277	2.7
462.20215	2.2
469.29419	4.4
470.17264	3.1
476.21768	4.9
483.31268	1.7
487.17313	3.2
487.34253	13.6
488.18304	13.6
489.18677	2.6
493.20709	7.3
502.19888	19.4
503.20282	2.4
523.23169	3.1
534.22540	17.8
535.22595	3.2
541.24341	2.0
549.23004	2.0
565.24561	7.7
567.22357	2.3
583.25623	19.9
584.26038	4.5
597.27637	4.0
599.25574	2.4
600.26385	1.9
615.28436	10.7
616.28833	3.5
624.00952	1.7
627.24811	12.2
628.25281	3.6
641.26422	8.9
642.26398	2.7
659.27222	100.0
660.27539	23.7
673.29041	2.5
691.30530	15.9
692.29517	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	689.367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.3
61.98700	5.0
69.42623	4.0
69.43034	1.7
71.01249	17.0
72.01588	0.9
78.95774	99.7
80.02542	1.8
80.64470	0.6
81.01849	0.7
81.03346	2.3
83.04879	6.3
84.02040	1.2
85.02814	1.0
86.01340	0.6
89.02332	1.1
93.03344	1.0
95.04904	0.9
96.96841	8.3
97.02834	1.1
101.02336	1.8
109.06490	1.9
111.82043	0.7
113.02334	1.3
123.52859	0.7
125.09596	1.2
134.98404	1.4
135.07999	0.8
144.02972	0.6
150.97868	1.1
152.99492	54.8
153.88928	0.6
153.99847	1.0
163.11198	5.6
163.41382	0.7
164.18657	0.7
165.12752	3.3
171.00542	0.9
171.10191	12.5
172.10495	0.8
181.12204	2.1
191.10809	1.4
195.13869	2.5
201.11246	6.0
207.10229	4.6
209.11763	100.0
210.12114	7.1
211.13306	1.6
215.12906	0.8
223.13293	2.1
225.11261	8.7
227.12817	10.9
235.08286	1.0
253.09331	3.4
265.21634	0.8
275.20233	1.6
288.57419	0.6
293.21237	13.7
294.21530	1.7
363.12097	17.8
364.12436	1.3
381.13159	5.4
395.14737	12.9
396.15109	1.1
413.15842	1.9
429.20395	9.6
430.07657	0.7
430.20804	0.9
447.21478	3.5
461.20377	1.3
467.31744	4.4
479.20984	0.8
653.31647	0.9
657.34064	40.5
658.34296	8.2
671.33612	1.5
689.36542	22.4
690.37018	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03324	0.4
59.01243	6.6
60.99174	15.4
61.98383	0.6
61.98697	7.1
67.30043	0.4
70.06699	1.6
71.01251	4.9
72.99165	0.5
73.02818	0.9
75.00742	1.5
78.95782	1.9
81.50981	0.3
83.01250	0.4
83.04886	1.0
85.02824	1.3
87.00740	1.5
88.00262	2.2
88.98673	100.0
89.02311	15.6
89.99007	0.7
96.95857	0.6
98.49774	0.4
99.00791	0.7
101.02336	1.9
102.84576	0.4
111.04369	0.7
113.02335	1.2
113.05378	0.4
119.04804	0.4
125.02353	0.9
129.05420	0.4
135.04395	0.6
137.02361	0.7
145.02765	0.5
147.04414	0.7
149.06001	0.7
151.03923	0.4
152.99512	1.4
161.02448	0.6
161.04384	0.6
163.11180	0.7
165.01796	0.7
169.12251	0.4
171.10149	2.3
174.03108	1.2
175.03908	5.9
176.04192	0.5
179.03429	0.5
183.26978	0.4
185.11652	0.4
189.01897	0.5
191.05582	0.8
197.11728	1.1
199.13335	0.4
201.11243	1.3
207.10136	1.2
209.11763	7.5
211.13364	1.0
225.11356	1.8
227.12833	1.5
235.08307	0.5
253.09229	1.3
291.19852	0.4
300.99832	1.1
349.18832	0.5
357.26425	1.5
359.28104	0.7
375.27750	0.7
397.13452	0.4
585.40082	1.2
611.37866	1.9
671.41260	0.6
689.32806	3.2
690.33221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83999	0.5
55.01777	0.9
57.03327	2.0
58.00485	0.7
58.79302	0.5
59.01252	13.8
61.98699	13.3
69.03324	0.8
71.01249	39.6
71.04889	1.2
71.49753	0.8
71.50092	0.7
72.01579	0.8
72.99178	1.9
73.02817	5.2
75.00748	2.1
78.65607	0.6
78.95779	2.5
80.02570	1.4
81.03331	2.8
83.01268	1.9
83.04895	6.6
84.02042	1.6
85.02813	4.8
87.00763	3.6
87.04420	0.6
88.98667	1.2
89.02307	8.2
89.20810	0.5
93.03361	1.3
95.01279	2.1
95.04909	2.0
96.95897	2.6
97.02852	3.4
97.06470	1.5
99.00753	4.5
99.04443	0.8
101.02313	9.5
109.02850	1.2
109.06487	4.5
111.00767	1.0
111.04460	0.7
111.08052	0.8
113.02330	4.9
116.41915	0.5
116.92740	0.6
119.03414	2.1
122.03574	0.6
122.96037	0.5
123.04401	1.3
123.08069	0.8
124.01584	0.8
125.02348	3.8
125.05975	1.2
125.09605	3.8
127.11192	1.7
133.06467	0.6
135.04407	1.4
135.08047	1.3
137.02353	1.3
137.09589	1.0
139.07559	0.7
143.03427	2.0
145.02872	0.9
145.04927	0.8
147.11766	0.6
149.05983	2.2
151.03902	0.9
152.99550	0.7
153.12764	0.9
155.10683	1.8
158.03635	0.8
159.04446	1.0
161.02374	1.3
161.04486	3.9
161.09601	1.5
163.03922	1.2
163.11194	9.5
165.12770	5.6
167.03343	1.0
169.01411	1.0
169.08537	0.5
169.12273	1.5
171.10175	34.8
172.10510	1.6
173.02382	0.9
174.03152	2.6
175.03882	8.4
176.04333	0.6
179.03427	0.7
179.05516	1.5
179.10712	0.8
181.12273	4.4
183.13834	0.8
185.11765	2.2
189.09073	0.7
191.05568	1.2
191.10739	1.4
197.11722	5.8
198.12097	0.7
199.13356	3.7
200.04694	0.8
201.09332	0.9
201.11250	18.1
202.11549	0.8
205.05103	0.9
207.10178	16.1
208.10419	1.0
209.11757	100.0
210.12100	6.5
211.13338	0.9
215.12764	1.8
223.13200	0.7
225.11263	32.1
226.11613	1.9
227.12831	15.1
228.13200	0.8
235.08235	5.0
243.12383	4.5
247.20627	2.3
251.12782	2.2
253.09225	9.3
263.12784	0.7
267.11340	0.8
273.18658	1.4
291.19638	17.2
292.19904	2.3
293.04562	0.8
294.05154	0.8
295.10287	1.0
300.99756	0.7
321.07568	0.9
331.17621	1.2
335.05618	0.8
335.22333	1.1
339.25513	1.0
349.18491	0.6
351.08765	3.7
357.26346	3.5
373.25778	0.8
375.27383	3.7
397.13409	6.4
399.21893	1.1
415.14603	4.1
417.22672	1.7
443.19315	1.0
461.20386	5.1
479.21243	1.6
487.21835	1.3
590.22284	0.7
629.34570	1.0
635.30127	0.9
653.32318	3.1
657.31348	1.9
671.32330	3.3
672.32703	0.8
689.33545	27.3
690.33820	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	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14099	0.5
52.46764	0.5
54.19482	0.5
57.03323	1.2
58.00459	0.9
59.01246	9.1
61.98701	6.1
64.81288	0.5
69.03320	1.0
71.01251	47.7
71.51967	0.8
72.01575	0.8
72.99162	1.3
73.02805	3.9
75.00732	0.9
80.02547	1.3
81.03316	2.5
83.01266	1.2
83.04897	5.8
84.02036	1.3
85.02818	3.7
87.00737	2.7
88.98682	0.6
89.02331	4.1
93.03308	1.1
95.01261	1.1
95.04887	2.5
97.02828	2.2
97.06458	1.0
99.00732	1.5
99.04377	0.9
101.02311	5.5
108.01990	0.9
109.02807	1.1
109.06485	5.0
111.04382	1.0
111.08044	1.0
113.02335	3.1
115.03882	0.5
119.04929	0.8
120.99427	0.5
121.02855	1.1
121.06514	0.6
122.03616	1.9
123.04399	1.4
123.08075	0.7
125.02322	1.8
125.06002	1.1
125.09621	2.7
127.11173	1.9
135.04430	0.8
135.08067	0.7
137.02322	5.9
137.09570	0.7
139.07532	1.4
139.11177	0.6
141.01779	0.7
143.03406	1.4
145.04951	0.7
149.02260	0.5
149.09534	0.6
151.74930	0.5
155.10661	1.7
159.04416	0.7
161.02367	0.7
161.04526	2.5
161.05826	0.7
161.09595	1.4
163.11188	8.9
164.01077	0.7
164.11502	0.7
165.01828	8.5
165.09160	1.0
165.12732	2.8
167.10704	0.9
169.12279	0.9
171.10172	40.1
172.10516	1.9
174.03151	4.4
175.03918	7.5
179.03423	1.3
179.05527	0.6
179.10663	1.0
181.12291	3.0
183.13821	0.6
185.11722	2.5
187.03928	0.6
189.09222	1.3
191.10715	1.0
193.04932	0.7
197.11728	3.3
199.09680	1.1
199.13351	2.4
201.05441	0.6
201.11241	19.8
202.11574	1.2
205.04982	1.6
207.10190	16.0
208.10385	0.9
209.11765	100.0
210.12096	6.2
211.13364	0.8
215.12805	1.8
223.13365	1.1
225.11278	27.7
226.11635	1.8
227.12830	13.3
233.11824	0.5
235.08218	4.2
235.13266	0.7
243.12329	2.1
251.12834	2.0
253.09229	10.8
263.12787	0.7
295.10370	1.4
309.07712	0.8
327.25516	0.5
329.04208	0.8
333.15930	0.5
357.26373	1.1
375.27423	0.8
399.22055	0.9
417.22748	1.3
443.19321	1.1
461.20218	4.8
479.21204	1.4
488.34698	1.0
489.34918	1.9
653.31891	3.3
671.32770	3.0
689.32269	17.7
690.32660	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	689.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01699	0.4
57.03315	0.7
58.00445	0.6
59.01250	4.7
61.98694	4.9
69.45293	3.9
71.01251	32.4
71.04874	0.5
72.01566	0.6
72.99167	0.5
73.02820	2.8
78.95773	58.2
80.02544	1.6
80.08672	0.5
81.03320	1.9
81.79914	0.5
83.01246	0.9
83.04895	6.3
83.05678	0.5
84.02026	1.3
85.02811	2.1
87.00757	1.6
89.02316	2.1
93.03297	0.6
93.28645	0.5
95.04915	1.4
96.96848	4.4
97.02810	1.9
97.06420	0.5
99.00753	1.0
99.04477	0.5
101.02309	3.6
107.04894	0.8
109.06467	3.6
111.00769	0.7
111.08008	0.7
113.02326	1.6
123.08051	0.7
125.05958	1.1
125.09604	2.3
127.11173	1.2
132.45305	0.5
134.98471	1.2
135.08017	1.5
139.07616	0.7
150.97784	0.6
152.99492	29.6
153.99809	0.6
155.10677	1.0
161.04457	1.3
161.09596	0.8
163.11197	8.1
165.12694	2.7
167.10718	0.9
171.10187	22.8
172.10542	0.8
179.14284	0.7
181.12260	3.2
185.11763	2.0
191.10719	0.9
195.13838	2.5
197.11845	0.5
199.13380	1.5
201.11241	12.4
202.11662	1.0
207.10191	10.7
209.11771	100.0
210.12114	7.5
211.13283	1.2
215.12798	1.6
223.13345	2.1
223.59790	0.5
225.11270	20.7
226.11617	1.2
227.12839	10.2
235.08217	2.9
243.12430	1.5
251.12955	1.5
253.09207	7.0
254.09387	0.6
291.19702	0.8
293.21225	9.8
294.21594	0.9
295.10196	0.7
363.12143	8.4
381.13251	1.6
395.14862	5.6
396.14978	0.8
413.15802	0.8
417.22824	0.8
429.20410	6.4
430.20856	0.9
445.20157	0.8
447.21613	2.3
461.20197	2.9
467.31204	0.7
479.21527	0.7
625.51788	0.6
653.31848	1.6
657.34082	24.1
658.34412	4.9
671.33148	2.2
689.36194	16.7
690.36340	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	689.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66483	0.8
59.01242	5.6
61.98696	23.8
64.42619	0.8
68.99690	1.0
71.01252	28.5
71.72578	0.9
75.00764	1.0
75.30699	0.8
78.95774	67.1
80.02563	1.4
81.03326	2.3
83.01252	1.0
83.04901	7.5
84.02044	1.1
85.02832	1.3
87.00753	1.2
89.02319	2.0
95.04836	0.9
96.95876	2.7
96.96835	6.3
97.02835	2.1
99.04456	1.0
101.02339	2.6
109.06477	3.6
111.08003	1.0
113.02304	1.4
123.08021	0.9
125.02291	1.2
125.09599	1.5
127.11160	1.5
135.08044	1.6
143.03412	0.9
152.99483	36.2
155.10706	1.3
161.04436	1.0
163.11197	7.4
165.09140	0.9
165.12770	3.9
171.00746	0.9
171.10172	22.5
181.12297	1.7
183.13730	0.9
185.11742	1.4
189.15277	1.0
195.13800	2.1
197.11690	1.2
199.13292	1.1
201.11249	11.4
207.10162	8.2
209.11761	100.0
210.12109	6.5
211.13297	3.0
215.12860	2.0
223.13304	3.8
225.11247	15.4
227.12827	12.0
235.08241	2.4
243.12476	1.4
253.09274	5.6
291.19730	1.4
293.21194	8.3
295.10538	1.1
363.12106	9.6
381.13202	2.5
395.14621	7.0
413.15491	2.1
417.22504	1.0
429.20447	6.0
445.21091	1.0
447.21564	1.6
461.20212	2.5
467.31644	1.9
653.31671	1.2
657.34052	26.5
658.34491	3.7
671.32581	2.8
689.36462	19.3
690.36523	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.1
62.87012	0.8
67.28666	0.7
69.45169	5.0
71.01254	1.0
85.02823	7.0
87.00755	2.2
93.03322	5.0
93.86809	0.8
97.85870	0.9
98.20531	1.5
110.78934	0.8
111.04397	2.0
135.02933	0.9
145.02875	1.1
161.02367	8.7
173.02344	2.2
173.04428	3.9
179.03336	1.1
191.05542	39.4
192.05852	1.1
219.08156	1.0
233.06360	2.3
235.07529	2.5
237.05476	1.2
245.05954	1.5
246.06827	0.7
247.03717	0.8
247.07678	0.9
248.04741	1.6
249.05446	1.1
252.07890	1.0
261.05603	4.5
262.06244	2.6
263.07040	4.7
264.04391	0.8
265.05060	6.5
266.05542	0.8
273.05801	1.2
273.21356	0.9
274.06323	1.6
275.03452	3.3
276.04239	5.5
277.05038	0.9
279.06787	1.1
280.07529	1.1
285.84332	0.8
289.04993	6.8
290.05804	13.6
291.06616	56.7
292.03693	2.9
292.06937	6.6
293.04544	100.0
294.04953	13.1
295.05786	0.9
300.99808	1.0
306.05301	5.1
307.05981	10.0
308.06891	25.9
309.07605	17.6
310.08054	1.5
317.04504	17.0
318.04944	1.7
321.07724	0.9
334.04700	1.0
335.05554	38.7
336.05923	4.4
352.05850	2.6
353.06577	12.4
471.12985	5.4
472.13272	0.9
482.10681	0.8
497.10803	3.1
509.10812	12.3
510.11209	2.3
515.11884	5.6
526.11133	11.4
527.11859	29.6
528.01923	0.7
528.12274	5.1
569.13562	1.3
689.17065	14.3
690.17584	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	689.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20058	0.9
56.59590	0.9
56.87713	0.9
59.01245	5.6
71.01247	1.2
71.16495	2.0
82.07298	1.0
85.02819	9.9
87.00749	2.6
93.03336	8.2
100.89540	1.3
109.02833	2.9
111.04369	1.9
116.90300	1.0
127.03893	2.6
155.03406	1.9
159.04321	1.5
161.02335	7.8
173.04492	7.1
174.03142	1.3
175.03912	8.8
182.51443	1.0
191.05536	41.5
192.05923	2.2
199.03914	1.9
233.06288	3.6
235.07568	2.5
237.05510	1.2
245.06035	1.7
248.04723	2.2
249.05490	2.9
252.07686	1.3
261.05487	6.5
262.06085	1.8
263.07166	6.6
264.04193	2.1
265.05084	8.4
274.06396	1.3
275.03406	2.8
276.04233	5.5
277.05042	1.8
289.05035	7.0
290.05841	15.2
291.06613	69.1
292.03723	5.9
292.06937	8.6
293.04544	100.0
294.04901	9.9
305.04578	1.5
306.05225	4.2
307.06100	8.2
308.06873	23.3
309.07632	32.1
310.07904	3.1
317.04547	15.9
318.04941	1.2
333.04102	1.3
334.04709	1.4
335.05585	71.7
336.06009	10.0
352.05722	2.0
353.06580	22.4
354.06937	2.7
385.97168	1.2
431.06378	1.1
455.09137	1.3
471.12866	13.5
472.13223	2.0
497.10742	7.9
509.10803	25.7
510.11224	4.2
515.12183	8.3
526.11230	19.2
527.11877	57.5
528.12213	8.7
547.39172	1.2
557.88989	1.2
569.13184	2.2
689.05243	1.8
689.17114	37.9
690.17560	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	689.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01256	2.3
67.01791	0.4
69.69339	2.2
71.01258	1.2
81.03330	0.6
83.04898	0.6
85.02824	4.2
87.00745	1.6
93.03329	5.1
109.02848	0.7
111.04414	2.7
115.00197	0.5
119.04859	0.5
127.03898	1.3
129.01834	0.5
135.04399	0.7
137.02353	0.7
145.02782	0.4
146.03625	0.6
148.03918	0.7
153.24005	0.3
154.71248	0.4
155.03410	2.0
159.04443	1.9
161.02347	5.0
161.06036	0.6
173.02368	0.4
173.02753	0.4
173.04453	7.5
173.05835	0.6
175.02420	0.9
175.03993	0.4
187.03966	0.6
191.05534	32.3
192.05869	1.3
203.97043	0.4
233.06532	0.6
235.07674	1.3
237.05524	0.7
239.06808	0.4
246.06821	1.0
247.07600	1.0
248.04765	1.1
249.05562	1.0
261.05594	1.3
262.06342	2.3
263.07108	4.1
264.04337	0.6
264.07410	0.6
265.04962	2.3
265.08658	1.6
266.05316	0.6
273.05579	0.8
274.06326	1.6
276.04263	4.0
277.05179	2.3
277.08139	0.5
278.05637	0.4
280.03763	1.7
281.08160	0.5
289.05023	3.0
290.05841	12.8
291.06616	59.4
292.03763	2.9
292.07028	8.5
293.04541	39.1
294.05124	7.4
295.05664	0.6
306.05273	1.1
307.06079	6.1
308.06866	12.0
309.07669	100.0
310.08023	10.0
317.04614	2.7
334.04608	0.4
335.05597	12.8
336.05890	1.2
351.08481	0.8
353.06509	6.6
354.06888	0.9
471.06750	0.7
471.12973	7.6
472.13339	1.1
497.10855	1.8
509.10806	7.9
510.11481	0.9
515.11963	1.6
516.12885	0.4
526.11688	1.9
527.11877	17.5
528.12421	2.4
569.13049	0.8
689.17230	15.1
690.17517	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	689.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15279	1.0
56.23909	0.8
59.01253	6.1
63.33973	0.8
67.01750	1.3
71.01242	2.7
71.26670	1.3
71.27024	1.7
73.63783	0.9
74.61777	0.9
76.39937	0.9
85.02828	9.8
87.00757	2.5
90.61078	1.0
93.03325	7.4
100.72644	0.8
109.02839	1.7
111.04384	2.3
114.83040	1.0
125.02338	1.2
127.03885	2.9
133.02838	2.3
135.04405	6.5
145.02892	1.3
152.09059	0.9
155.03374	1.8
159.04364	1.1
161.02354	11.4
173.02341	2.2
173.04443	7.9
174.03125	1.2
175.03897	2.1
179.03389	1.3
187.03854	4.9
191.05533	62.9
192.05850	1.6
193.29517	0.8
199.03969	1.6
213.31291	1.0
233.06207	2.0
235.03954	1.2
235.07532	2.6
237.05652	1.0
245.06041	1.1
246.06551	1.5
247.07680	1.6
248.04854	2.5
249.05507	3.1
261.05670	5.0
262.06305	2.5
263.07056	6.4
265.05103	6.7
266.05319	1.4
273.05399	2.2
274.06305	2.5
275.03442	2.6
276.04294	4.5
277.04898	1.4
279.02774	1.1
280.03876	2.4
289.05023	8.5
290.05756	11.8
291.06604	80.0
292.03687	3.9
292.06976	9.0
293.04544	100.0
294.04965	12.4
306.05338	5.9
306.50632	1.0
307.06033	10.7
308.06873	35.9
309.07629	33.9
310.07901	2.6
317.04529	16.0
318.04974	2.9
321.07813	1.1
333.04065	2.1
334.04871	4.3
335.05560	55.3
336.05887	5.7
352.05762	1.5
353.06442	13.9
354.07037	1.3
462.14081	0.9
471.12701	5.1
491.09857	1.2
497.10919	10.4
498.11523	2.2
509.10745	11.9
510.10785	1.5
515.11755	5.3
524.04767	1.0
526.11035	10.0
527.11865	30.0
528.12170	4.2
689.17114	15.3
690.17151	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05285	0.5
59.01239	3.2
61.98710	0.6
67.01768	1.0
69.37612	4.5
71.01250	1.7
81.03328	1.0
83.04887	1.3
85.02817	3.4
87.00781	1.1
93.03334	10.3
106.12871	0.5
107.04885	1.1
109.02810	0.9
111.04378	5.2
113.02309	0.5
117.03368	3.1
119.04926	6.8
125.02322	1.8
126.35294	0.5
127.03907	1.1
129.03329	1.0
132.02011	0.7
133.02846	27.9
134.03694	4.9
135.04410	99.4
136.04727	3.2
137.02344	2.2
143.04948	1.3
145.02882	6.4
155.03413	4.9
157.02844	2.9
158.03622	0.7
159.04439	1.7
161.02348	52.1
161.92032	0.5
162.02692	1.9
169.01343	1.2
171.04393	1.6
173.02342	5.8
173.04471	10.2
174.03136	1.7
175.03929	2.0
177.01762	2.4
179.03413	100.0
180.03761	4.8
191.05536	53.6
192.05936	1.5
203.03383	0.9
217.06540	1.4
219.04634	0.6
219.08098	7.4
221.06036	0.5
235.07693	2.7
236.07919	0.7
237.05586	1.3
237.09155	1.8
244.05267	1.1
245.06059	10.4
245.08493	0.7
246.06757	4.2
247.07622	9.9
248.08051	0.9
263.07123	15.0
264.07486	1.1
272.04761	1.7
273.05579	4.8
274.06256	1.7
276.04309	1.2
289.05106	1.1
290.05701	2.8
291.06622	30.2
292.06982	3.0
307.06097	4.3
317.04590	0.6
335.05225	12.5
335.07718	33.2
336.05267	1.1
336.08142	2.8
341.08841	3.4
353.08795	32.1
354.09277	2.9
395.09763	1.9
408.40497	0.6
465.06799	0.9
509.10660	5.3
515.12396	4.6
516.12054	0.6
526.98309	0.5
586.19989	0.6
689.17181	21.3
690.17883	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	689.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12850	4.2
54.32376	4.0
62.45050	4.1
72.67828	3.6
85.02805	7.7
85.26350	4.4
112.53144	4.0
120.99533	27.4
129.77740	4.0
173.04485	8.1
191.05510	47.3
219.22948	4.2
261.05493	4.6
262.68649	4.1
265.04956	7.7
282.66147	4.6
289.05020	4.9
290.05972	8.9
291.06619	95.3
292.07034	5.9
293.01398	7.9
293.04526	100.0
294.04935	15.3
306.05341	8.1
307.06155	7.6
308.06891	43.9
309.07581	32.0
317.04504	18.8
335.05609	71.3
336.05753	7.8
353.06580	22.0
471.12839	18.0
497.10425	4.5
497.76544	4.9
509.10864	17.2
515.11823	9.1
526.11206	13.1
527.11774	52.2
646.59979	4.5
647.43994	5.0
689.17303	31.3
690.17383	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	689.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82830	0.7
58.57038	0.6
59.01253	2.2
67.01774	1.9
69.03335	0.7
71.01257	1.9
71.27426	1.2
72.67181	0.7
81.03330	1.2
83.04887	1.6
85.02823	5.1
87.00782	1.6
89.03822	0.8
93.03336	13.3
100.68750	0.7
105.03309	1.5
107.04881	1.6
108.02043	1.1
109.02851	1.5
111.04401	5.1
113.02321	1.2
116.04006	0.7
117.03336	3.3
118.80659	0.8
118.81400	0.7
119.04922	7.5
127.03884	1.6
127.45274	0.8
129.01790	1.0
129.03326	1.6
132.02039	1.4
133.02850	31.9
134.03648	4.0
135.04416	79.4
136.04759	2.8
137.02330	2.4
138.57362	0.8
143.04953	1.7
145.02866	6.2
155.03358	5.7
157.02852	2.6
158.03632	1.1
159.04417	1.4
161.02345	34.0
162.02654	1.1
171.04428	1.5
173.02336	4.8
173.04462	23.0
174.03004	2.0
174.04684	1.3
175.03934	1.7
177.01814	2.5
179.03410	100.0
180.03757	5.1
187.04033	1.2
189.01918	0.9
191.05537	54.7
192.05890	1.9
217.06557	1.6
219.06349	1.1
219.08115	8.4
223.07848	0.9
235.04025	0.7
235.07574	3.9
237.05626	1.6
237.09113	3.4
244.05325	1.4
245.06009	14.5
246.06789	5.1
247.07590	10.8
261.05560	1.3
263.07111	17.1
264.07394	1.4
272.04767	3.2
273.05573	8.0
274.06241	1.7
276.04288	2.0
289.05124	3.4
290.05713	4.0
291.06589	27.3
292.06906	3.6
306.05377	0.8
307.06134	10.8
308.06549	2.1
317.04495	1.0
335.05655	42.8
336.05371	5.3
341.08740	8.1
342.09293	1.0
353.08777	36.7
354.09219	3.9
363.58405	0.8
379.67426	0.7
395.09875	1.0
463.89157	0.9
502.47614	0.7
509.10950	6.4
510.11053	0.8
515.11969	12.3
516.12415	2.1
605.23456	0.9
689.17175	33.5
690.17432	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12859	0.2
57.03319	0.7
58.00460	0.2
59.01253	1.8
60.99170	0.6
61.98701	0.3
65.03837	0.4
67.01760	4.9
68.78755	0.2
69.03328	1.3
69.45998	1.6
71.01257	4.2
72.99180	0.2
81.03326	1.0
83.04901	1.0
85.02831	2.0
87.00748	0.7
89.02290	0.3
93.03335	32.2
94.03686	0.9
95.01270	0.4
97.49493	0.2
98.19878	0.5
99.00788	0.2
99.04356	0.2
108.02048	0.4
109.02842	1.5
111.00768	0.9
111.04414	5.7
113.02361	0.5
117.03357	0.5
119.04916	2.3
123.04456	0.2
125.02336	0.7
127.03879	0.7
129.01828	0.2
133.02846	3.9
133.46141	0.2
134.03607	0.6
135.02864	0.5
135.04413	11.4
136.04770	0.4
137.02347	4.7
145.02869	2.1
150.03140	0.3
153.01816	0.4
155.03413	4.0
157.02888	0.2
159.04410	0.4
161.02354	3.8
162.02847	0.2
163.04002	0.2
169.01331	0.3
172.01599	0.2
173.04472	100.0
174.03154	0.8
174.04781	3.9
175.03882	0.7
176.04343	0.2
177.01852	0.8
178.02612	0.2
179.03426	15.8
180.03766	0.7
189.01862	0.4
191.05545	9.7
192.05862	0.3
208.36044	0.2
212.29697	0.2
217.06581	0.3
219.04373	0.3
219.08080	1.4
220.08409	0.3
235.07652	1.3
236.07895	0.2
237.05539	0.4
237.09183	0.8
244.05280	0.6
245.06032	4.8
246.06525	0.6
247.07553	1.0
255.08983	0.2
261.05359	0.4
262.06070	0.2
263.07150	5.0
264.07489	0.4
272.04681	0.3
273.05563	1.0
274.06256	0.4
289.05032	1.0
290.05853	1.2
291.06589	3.4
292.06976	0.3
293.04654	0.2
300.99908	0.3
301.03519	0.3
307.06113	8.8
308.06357	1.2
318.05164	0.4
334.04764	0.3
335.05255	24.5
336.05585	2.9
341.08731	0.4
351.07159	0.8
353.08774	16.7
354.09055	1.3
395.09851	0.5
509.10904	6.4
510.11298	0.9
515.12103	1.7
516.12195	0.4
527.11816	0.3
547.13654	0.2
689.17181	9.2
690.17572	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	689.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10810	1.4
57.03320	2.5
59.01246	3.9
71.01243	3.3
71.28173	3.6
83.04887	2.7
85.02811	6.8
87.00725	2.1
93.03338	14.4
111.04414	13.5
117.03336	4.2
119.04908	21.5
120.54272	1.7
125.02328	5.4
133.02859	38.7
134.03598	4.9
135.04416	85.8
136.04723	4.9
144.42851	1.6
145.02849	17.7
148.47026	1.5
155.03384	12.1
161.02351	43.0
162.02711	3.8
169.01324	4.4
173.02345	9.1
173.04477	21.5
175.03896	3.1
177.01845	3.8
179.03435	91.6
180.03802	5.0
183.65813	1.8
189.01932	3.9
191.05553	100.0
192.05856	4.1
211.02681	1.7
219.04430	2.8
219.08087	14.8
234.43507	2.0
235.07608	7.4
237.05484	2.8
237.09099	9.0
242.43015	1.6
244.05341	4.2
245.03658	2.7
245.06058	38.2
246.06526	4.8
247.07603	13.6
263.07092	41.8
264.07495	3.9
272.04724	2.3
273.05484	11.7
274.06308	4.7
289.05075	2.2
290.05865	4.8
291.06619	42.0
292.06897	4.5
307.06131	43.4
308.06299	5.1
318.05063	3.7
334.05093	1.5
335.05405	44.3
335.07809	48.6
336.05804	6.8
336.08600	3.1
341.08734	1.9
353.08737	69.1
354.09103	5.5
395.09824	5.5
465.06610	3.0
509.10797	5.2
515.13458	6.6
527.12390	1.7
540.96814	2.0
689.17133	66.5
690.17621	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	689.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70041	2.1
51.13876	2.1
55.14663	2.0
59.01246	4.7
67.61112	2.2
71.01246	2.7
83.04882	3.1
85.02825	6.6
87.00761	2.6
89.17469	2.2
93.03314	16.0
98.20564	6.1
101.34969	2.6
111.04390	11.6
117.03354	4.7
119.04910	21.0
119.90739	2.1
133.02855	34.3
134.03624	6.1
135.04408	100.0
136.04784	4.2
145.02846	21.1
149.05884	2.1
155.03397	10.8
159.04308	3.0
161.02347	58.5
173.02365	12.3
173.04446	12.5
177.01790	2.7
179.03413	96.7
180.03761	6.3
191.05536	94.6
197.96352	2.3
212.02510	2.2
217.06636	2.6
219.08096	12.6
229.32477	2.8
235.07565	7.6
237.09169	7.8
244.05373	2.9
245.06013	31.1
246.06709	6.6
247.07677	11.6
261.05701	3.0
263.07138	37.3
264.07355	3.7
273.05423	6.1
289.05234	3.0
290.05841	7.8
291.06613	34.1
292.06934	2.4
307.06058	22.9
334.04547	3.4
335.05157	28.9
335.07687	99.6
336.05249	2.7
336.07999	10.5
345.58548	2.1
353.08771	94.1
354.09009	9.0
359.95273	2.5
367.28525	2.6
395.10046	10.6
409.73581	2.2
491.90048	2.7
508.10165	3.2
509.10519	3.3
515.13495	10.9
526.11102	11.2
527.11652	4.6
529.86926	2.5
534.89478	2.3
689.17194	74.9
690.17688	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	689.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.5
59.01228	3.2
61.98695	1.7
62.82231	1.3
67.01749	4.6
69.59588	1.3
71.01255	6.8
71.37775	2.3
72.61977	1.6
73.02800	1.4
75.00726	2.8
81.03304	1.6
83.04858	1.6
85.02809	4.7
86.02944	1.5
87.00743	2.2
89.02303	1.8
90.44897	1.3
93.03338	24.6
96.95872	5.3
99.04367	1.8
101.02343	2.1
108.02054	4.1
109.02829	3.6
110.61990	1.6
111.00728	4.3
111.04384	6.6
113.02334	2.7
117.03269	1.3
119.04869	2.9
121.02848	1.2
123.04384	3.7
125.02324	6.6
133.02844	16.4
134.03644	2.2
135.02904	9.8
135.04405	38.3
136.04723	1.5
137.02310	4.6
139.00237	3.1
145.02843	5.3
151.03873	2.4
152.01062	4.4
153.01839	2.1
153.05461	2.7
155.03349	3.8
156.00555	2.8
157.01318	3.2
157.02728	1.3
161.02338	16.4
165.28593	1.4
169.01282	3.6
173.04463	100.0
173.80191	1.3
174.03131	8.0
174.04796	4.5
175.03830	4.3
177.01857	4.5
177.52164	1.3
179.03410	66.4
180.03772	2.5
189.01796	3.6
191.05528	17.9
193.04871	1.4
201.81943	1.2
203.03400	2.0
235.07698	1.7
241.05132	1.5
245.05980	5.2
247.02477	3.2
247.07510	2.5
260.73373	1.5
263.07071	9.2
264.07349	1.5
273.05566	3.9
274.06070	1.5
291.06607	13.9
292.07034	1.8
293.04437	1.9
300.99841	1.7
307.05972	10.0
308.06726	1.5
309.07593	1.6
321.09756	3.2
335.05383	42.7
336.05884	2.7
339.12384	1.6
341.08817	7.6
342.09161	1.8
353.08798	27.7
354.08975	2.5
395.09586	1.5
407.07349	1.3
509.10745	5.4
515.12103	12.5
516.11896	2.2
689.16351	8.6
689.34021	5.5
690.17249	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	689.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80904	1.3
57.03300	1.7
59.01246	6.7
67.01752	1.6
69.31857	12.4
71.01231	4.0
75.00735	2.7
83.01273	1.7
83.04881	2.3
85.02825	15.0
87.00747	4.6
89.02320	1.6
93.03322	10.7
96.96454	1.4
99.04391	1.6
109.02829	5.9
111.04417	6.2
113.02345	2.3
115.00255	1.2
119.04958	1.7
121.02839	1.5
123.00780	1.3
125.02303	3.7
127.03905	2.5
128.88065	1.2
133.02773	1.7
134.03622	2.4
135.02896	7.3
135.04378	9.3
136.99124	1.6
137.02364	1.9
145.02832	1.9
149.02379	2.3
149.05957	1.6
151.03864	1.5
155.03372	2.6
159.04422	4.7
161.02353	44.1
162.02637	2.9
163.03912	1.5
169.01303	2.0
173.02354	5.1
173.04504	8.3
174.03122	4.0
175.03954	6.0
179.03395	5.5
187.03920	3.0
189.01649	1.5
191.05545	83.7
191.52106	1.4
192.05792	2.3
203.03445	1.4
217.08557	1.5
219.07974	1.3
233.06245	2.9
235.07501	4.0
236.08057	1.7
245.06001	1.6
246.06769	2.0
247.07542	2.7
249.05502	3.1
261.05496	8.3
262.06268	5.2
263.07086	8.2
265.05075	2.3
265.08456	1.7
273.05655	1.5
274.06445	1.5
276.04230	2.6
277.04938	4.1
278.05676	2.4
279.06616	4.4
289.04730	7.2
289.07825	2.0
290.05783	18.1
291.06613	51.9
292.03815	3.5
292.07065	5.1
293.04550	35.6
294.05121	6.3
295.09616	1.5
300.99893	2.2
305.04541	3.6
306.05289	11.4
307.06107	17.0
308.06888	20.2
309.07669	68.6
310.08151	5.8
316.03745	6.1
317.04532	27.7
318.05075	5.9
319.05960	2.9
321.07550	2.8
333.04077	1.6
334.00690	1.7
334.04807	36.8
335.05545	40.6
336.05988	7.8
339.12335	3.8
347.05585	6.1
351.05148	5.1
352.05884	57.2
353.06393	27.8
354.07233	4.2
365.06616	5.3
455.13385	2.5
464.11420	1.7
471.12924	8.7
472.13486	2.2
479.09915	1.3
480.10693	3.0
482.11826	2.1
497.10861	26.4
498.10825	3.5
508.10025	14.5
509.10751	22.9
510.11032	3.1
515.12079	8.6
525.10522	2.4
526.11145	86.9
527.11792	65.5
528.12079	8.3
539.12152	9.3
540.12640	2.2
573.15930	4.8
604.66010	1.4
689.17194	100.0
690.17456	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	687.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56512	24.9
58.42836	24.6
65.75452	25.7
71.48679	64.8
76.99302	27.9
78.95759	73.0
111.47884	26.0
152.99487	57.7
159.13957	26.5
255.23238	100.0
295.22870	36.2
391.22589	31.4
461.05722	37.0
544.51837	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03319	1.5
59.01239	5.5
59.12345	0.4
61.98713	1.3
69.03322	4.3
70.53690	1.5
71.01257	5.5
71.04890	1.8
73.02838	0.8
73.15902	0.5
80.02544	0.9
81.03347	1.6
83.04891	4.4
84.02016	1.2
85.02825	1.4
87.00754	1.1
89.02309	2.8
95.01258	1.1
95.04900	1.4
97.02853	0.6
97.06475	1.0
101.02313	4.1
105.97432	0.5
113.02333	1.6
119.03355	0.6
123.08070	1.2
125.02322	0.5
125.05969	0.5
125.09624	2.5
151.11177	3.1
153.12805	1.3
158.91982	0.5
161.04541	0.8
161.09634	3.7
163.11191	3.9
165.12726	1.8
175.03973	0.6
179.10669	6.8
181.12189	0.8
183.10239	0.6
191.10684	0.9
197.11763	67.2
198.12119	3.2
207.10352	0.6
209.11772	49.2
210.12146	3.2
223.09740	1.2
225.11249	0.5
227.12817	4.5
235.08119	1.2
241.10764	4.7
243.08804	0.6
253.09271	3.2
262.71283	0.6
453.39355	0.6
459.18863	1.1
477.19806	4.3
489.35721	1.4
560.45099	0.5
669.31683	0.9
687.32269	100.0
688.32666	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	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.7
58.37829	0.7
59.01005	0.7
59.01249	8.9
61.98696	6.7
64.57911	0.6
69.03294	2.0
69.36605	0.7
71.01253	7.8
71.51971	1.3
72.99206	0.9
73.02789	2.1
80.02541	1.2
81.03326	2.7
83.01244	1.4
83.04890	6.1
84.02034	1.6
85.02813	2.4
87.00739	1.7
89.02319	4.8
93.03269	0.7
95.01278	1.1
95.04905	0.8
97.02797	0.9
99.00739	1.3
101.02338	5.2
107.96056	0.7
108.02071	1.4
109.02803	1.1
109.06441	0.7
111.00742	0.8
111.04420	1.1
113.02304	2.7
118.96533	0.6
119.03328	1.2
119.56956	0.6
120.99503	1.9
123.00756	1.4
123.04382	2.6
124.01557	2.2
125.02338	15.2
125.09625	1.1
125.12841	0.9
127.11222	0.8
135.04375	1.0
135.08119	1.3
137.02322	1.9
139.00276	1.9
145.02827	0.6
149.04391	0.8
149.99455	2.7
151.00275	0.8
151.11154	2.6
152.01007	2.1
153.01854	0.8
153.09048	0.7
153.12720	3.7
154.02582	1.4
161.02287	0.8
161.04379	2.3
161.09615	1.0
162.03238	0.6
163.11211	4.0
165.01884	0.7
165.12709	2.3
167.03384	4.7
168.00560	5.1
169.00011	0.9
169.01352	15.6
169.04887	1.1
169.12256	20.4
170.01585	1.3
170.12581	0.9
171.10185	6.8
174.03160	1.2
175.03851	2.1
177.01877	0.8
179.10626	1.9
183.10176	1.6
185.11868	0.7
197.11758	43.6
198.03030	1.7
198.12057	1.9
199.13280	0.9
201.24963	0.6
205.04990	0.7
205.08646	1.0
209.11769	72.2
210.12086	5.6
213.11304	1.0
223.09697	3.4
225.11281	2.1
227.12857	9.1
235.08156	1.6
241.10687	1.0
253.09193	4.8
266.02240	1.4
268.03754	1.2
296.03250	1.2
300.99948	0.9
322.01108	1.5
329.13922	1.0
329.23038	0.8
345.04120	0.9
351.51157	0.8
355.24838	1.7
357.26208	0.8
373.25842	6.7
433.20599	1.1
445.20605	0.9
503.19327	0.9
521.20221	1.0
669.31891	0.9
687.19409	5.3
687.32166	100.0
688.20789	1.4
688.32587	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	686.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31551	0.4
53.56661	0.4
58.00454	0.6
59.00962	0.7
59.01246	12.8
69.61607	3.1
71.01247	8.8
72.99182	1.0
73.02815	0.5
83.01240	0.8
83.16940	0.4
85.02827	2.2
87.00745	1.4
89.02319	6.6
95.01267	0.6
96.95885	0.6
98.20509	0.8
101.02319	6.3
106.06493	1.7
106.94413	0.4
108.02061	0.9
109.02817	1.3
113.02339	3.2
119.03365	2.6
122.05995	2.7
125.02292	0.9
132.04446	2.5
134.06006	11.4
135.04387	0.7
135.06329	0.7
144.04442	0.5
146.05939	0.5
150.03130	0.5
150.05510	0.9
150.24086	0.4
152.01044	1.1
152.07129	2.6
158.02350	1.1
160.03922	1.3
161.02376	0.7
162.05457	0.5
165.05481	0.4
167.03377	0.5
169.01317	0.5
173.04475	1.4
174.05588	0.6
175.03981	0.5
176.03366	0.7
176.07042	0.7
179.03386	0.6
190.05020	4.6
191.05518	1.7
192.06636	0.9
196.48209	0.5
211.12415	0.6
215.11821	1.7
223.08702	1.0
224.09395	1.8
226.07227	0.6
227.08183	0.6
239.08099	1.0
239.11882	6.6
240.10266	0.8
240.12407	0.5
241.09822	2.2
249.10004	0.4
250.07382	0.6
251.08218	0.4
251.11827	1.4
252.09039	0.5
253.06207	2.1
253.09795	1.3
255.07669	0.7
255.11284	1.4
263.08313	0.8
263.11703	0.5
265.09573	1.1
267.07678	2.5
267.11325	0.9
268.08456	1.4
277.09830	0.5
279.07874	1.0
279.11148	0.6
280.08533	1.8
281.09283	0.8
283.10886	17.5
284.11060	1.7
287.10345	0.7
289.05139	1.1
291.07687	0.9
295.10861	7.5
296.11270	0.6
300.02756	0.8
300.99915	0.8
305.09250	0.6
306.05313	0.6
306.09842	0.6
307.06073	1.7
307.11026	0.8
309.08563	1.4
309.12338	0.7
314.12451	1.3
315.13437	1.5
323.10477	0.8
327.13458	1.0
333.03876	1.2
335.05545	2.4
337.12100	0.6
341.11447	0.4
402.18243	1.4
430.17294	1.0
469.10974	0.7
521.01245	0.5
582.24805	0.7
610.24408	2.4
611.24597	0.4
612.47461	0.5
626.23761	1.1
654.22986	9.0
655.23090	1.7
658.26892	0.5
686.25574	100.0
687.26178	20.8
704.26306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29682	0.5
51.80888	0.5
58.00456	0.6
59.00956	1.0
59.01245	17.2
69.22665	1.8
69.23087	3.3
71.01252	11.6
72.99179	2.0
73.02806	1.0
75.00761	0.8
81.56977	0.5
83.01256	0.8
85.02809	3.0
87.00763	0.9
89.02316	9.3
90.02625	0.5
95.82652	0.5
96.95861	0.6
101.02325	8.2
106.06490	2.6
108.94505	0.6
109.02850	2.5
111.00823	0.5
113.02320	3.7
115.00268	0.5
119.03382	2.5
119.04925	0.5
122.06005	2.8
125.02318	2.5
130.65958	0.5
132.04442	1.4
133.02817	1.8
134.03645	0.7
134.05016	0.9
134.06006	13.5
135.04425	4.3
135.06345	0.6
143.03302	0.6
144.04456	0.8
149.05977	0.5
150.05504	1.2
151.00221	0.6
151.03801	0.6
152.07063	3.0
153.01833	1.7
153.07362	0.6
158.02332	0.8
160.03897	1.4
161.02377	1.6
161.04474	0.6
165.01933	0.6
169.01332	1.3
171.11279	0.5
173.04462	0.9
176.03424	0.6
176.07011	0.6
179.03429	4.1
190.05020	3.5
191.05544	7.2
192.06607	0.7
196.11264	0.6
215.11794	1.7
223.08633	1.2
224.09433	1.8
226.07532	0.5
227.08156	1.0
236.09518	0.6
239.04727	0.6
239.08116	1.2
239.11850	7.2
240.10211	0.6
240.12314	0.7
241.09810	1.8
251.08119	0.7
251.11905	1.6
253.06114	1.8
253.09753	1.1
255.07655	1.2
255.11334	1.3
263.07672	0.7
265.09833	1.2
266.07007	0.7
267.07712	2.6
267.11252	1.3
268.08444	2.2
271.02353	0.9
277.09729	0.7
279.07608	1.1
280.08444	1.7
281.09229	1.6
283.10870	22.4
284.11160	2.0
287.10141	0.5
291.07388	1.5
295.10870	8.5
296.11133	0.8
300.02658	1.1
300.99875	0.6
301.03394	1.0
305.09323	0.6
306.09958	1.0
307.05826	0.8
307.10849	0.8
309.08835	2.5
309.12225	1.0
314.12460	1.2
315.13266	1.2
321.08560	0.8
323.10321	0.7
325.11801	0.5
327.13391	0.8
333.03937	0.8
335.05536	3.0
337.11938	0.7
338.12436	0.6
353.08749	4.8
361.39429	0.5
372.15146	0.6
402.18173	2.3
430.17645	1.9
582.23730	0.8
610.23999	1.1
654.23199	6.3
658.25964	1.1
686.25610	100.0
687.17041	1.2
687.26080	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	685.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	7.1
61.17986	1.9
63.07196	1.9
65.98499	1.9
70.22955	8.1
71.52070	2.3
77.82246	2.4
78.95316	5.0
78.95774	82.1
96.96849	9.4
97.74102	2.2
152.99486	57.5
160.34056	2.2
195.13766	2.6
217.00258	3.4
255.23267	100.0
256.23679	7.2
279.23187	6.3
293.21164	17.4
294.21835	2.4
391.22583	21.7
392.23004	2.8
409.23700	12.9
412.79544	2.3
429.20419	9.3
461.50696	2.3
685.44403	25.8
686.44452	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	686.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.0
61.98703	6.5
62.25532	1.1
68.05388	1.1
69.26506	10.2
75.15215	1.1
81.69569	1.4
108.02079	2.4
109.02843	2.7
121.02824	2.8
125.02345	2.9
130.78857	1.4
137.02307	1.2
141.70105	1.2
147.64000	1.2
148.07626	1.3
151.00279	2.0
158.49481	1.2
161.02364	1.9
163.03886	1.2
165.01842	10.4
166.06311	1.6
169.01405	2.0
174.58420	1.2
175.03888	1.5
181.08560	1.8
193.01268	1.1
203.03339	1.6
227.03474	1.3
227.12747	1.6
243.03017	3.3
254.02045	1.5
255.02969	2.1
269.04395	1.4
271.02466	36.4
272.02872	2.9
285.04129	1.6
299.01941	57.7
300.02554	8.6
301.00131	1.3
301.03418	4.3
314.04300	64.8
315.05032	29.4
316.05322	2.8
317.02591	1.8
623.16144	100.0
624.16620	16.4
687.19867	3.3
687.32520	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	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
58.00461	0.2
59.01244	1.4
61.98704	1.7
65.96310	0.2
70.82903	0.2
71.01251	1.2
71.04864	0.2
71.51752	0.3
72.99177	0.2
73.02816	0.5
83.01192	0.2
83.04906	0.2
85.02822	0.9
87.00741	1.2
87.04391	0.2
88.93861	0.1
88.98680	0.4
89.02309	0.6
95.01226	0.2
95.04871	0.2
97.06464	0.5
99.00713	0.2
99.04395	0.6
101.02328	0.6
107.04811	0.2
108.02026	0.8
109.02819	0.5
109.06484	0.2
111.04417	0.3
111.08067	0.8
113.02319	0.5
113.05986	0.4
115.99403	0.2
121.02770	0.2
121.06496	0.2
123.00753	0.3
123.04400	0.9
123.08070	0.6
125.02322	1.2
127.11150	0.7
135.04376	0.3
135.08046	0.5
136.05200	0.4
137.02325	0.3
137.05965	0.6
137.09602	1.0
141.09081	0.2
147.04327	0.2
148.05209	0.2
149.02322	0.3
149.05981	1.6
149.09570	0.2
150.06766	36.4
151.03941	0.3
151.07196	1.6
152.01056	0.7
153.05360	0.3
153.09082	0.3
155.10716	0.8
157.08580	0.2
161.02377	0.5
161.09644	0.7
162.06721	0.9
163.07553	6.4
164.04579	0.2
164.08339	7.1
165.01901	0.3
165.05414	0.3
165.08894	0.3
167.03413	1.8
169.01312	1.0
171.10194	0.6
175.03906	0.5
176.08327	0.7
177.09103	0.7
178.09897	1.7
179.10690	20.9
180.10982	0.9
184.10971	0.6
193.08569	0.4
195.06607	0.2
201.11267	0.6
221.11894	0.3
230.11584	0.2
257.13916	0.5
261.18607	0.4
271.02393	0.3
278.18823	0.3
279.19720	0.3
288.17224	0.2
299.18631	0.4
303.19373	0.2
305.21375	0.2
306.18259	1.7
307.18622	0.2
313.05511	0.2
316.02206	0.2
320.19922	0.3
321.20691	1.5
341.23233	0.9
343.21249	5.3
344.21603	0.6
350.20990	1.0
351.21594	0.8
359.27789	0.3
359.43570	0.2
364.22293	0.2
365.23184	0.3
373.25906	0.4
407.41580	0.2
444.28824	0.3
454.50189	0.2
459.31149	0.7
460.31598	0.2
462.29788	3.0
463.30228	0.4
476.31439	0.5
477.32181	8.5
478.32611	1.2
504.30905	1.0
505.31641	2.6
506.32098	0.4
508.30621	0.3
513.26624	0.3
521.31445	0.2
522.31921	2.5
523.32721	28.9
524.32977	4.4
539.30280	0.2
565.33240	0.2
590.09772	0.2
685.38031	100.0
686.38391	19.0
686.50647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03262	0.5
59.01179	3.1
59.01510	0.8
61.98637	5.8
61.98979	0.5
69.68414	2.2
71.01176	1.3
73.02752	0.8
75.96996	0.4
78.95700	0.5
85.02776	0.8
87.00687	0.4
88.98608	1.2
89.02257	0.6
96.95834	0.9
97.02760	0.6
101.02248	0.9
109.02796	0.6
113.02267	0.5
118.94319	0.3
119.04898	0.9
120.47855	0.4
121.02766	0.9
123.04328	1.3
125.02282	1.9
130.21426	0.4
135.04301	0.5
136.01413	0.5
137.02306	0.9
142.95705	0.4
145.02765	0.4
147.04356	0.6
149.02307	0.6
151.03816	0.7
151.07501	0.9
152.01028	0.6
161.02290	0.9
161.04457	0.4
165.01782	0.5
165.05373	0.5
167.03304	1.0
168.00429	0.5
169.01256	1.3
175.03781	0.9
177.01761	0.4
179.03252	0.4
179.06895	1.2
181.07159	0.4
197.00357	0.4
197.02147	7.9
201.45224	0.4
202.45184	0.4
209.11650	1.2
227.12747	0.4
240.40576	0.4
255.23178	0.7
271.02359	0.9
289.06903	1.1
299.02023	0.9
300.99683	0.4
314.04196	1.2
315.04971	1.0
339.25269	0.4
347.05179	0.6
357.26480	0.8
371.40881	0.4
375.27554	0.5
405.11212	0.4
409.31192	0.5
436.72873	0.4
461.10928	1.1
462.12006	0.5
465.08066	0.6
487.34277	100.0
488.34607	16.8
523.22833	0.6
523.29218	3.4
524.29199	0.5
685.14282	1.6
685.37500	25.5
686.38080	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	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
59.01255	2.2
61.98700	4.7
66.91364	0.3
68.99680	0.3
71.01257	2.2
73.02821	1.2
83.04885	0.5
85.02815	1.1
87.00746	1.0
88.98686	0.8
89.02325	0.6
95.01276	0.5
96.95893	1.8
97.06469	0.7
98.20558	1.1
99.04393	1.0
101.02357	0.8
107.01253	0.5
108.02021	1.5
109.02838	1.8
111.04477	0.5
111.08011	0.6
113.02316	0.7
113.05919	0.5
113.09577	0.3
122.03609	1.2
123.00742	0.7
123.04421	2.9
123.08065	1.0
125.02346	2.7
125.09631	0.6
127.11189	0.6
134.03638	0.4
135.04366	0.6
135.08002	0.6
136.05197	0.3
137.02318	0.5
137.09605	0.8
139.03880	0.4
141.09137	0.4
145.02890	0.4
149.05986	2.0
150.06763	39.9
151.00308	0.6
151.03828	0.5
151.07231	1.3
152.01086	1.9
153.01820	0.7
155.10667	0.6
157.08597	0.5
161.02296	0.6
161.04417	0.6
161.09616	0.8
162.06766	0.7
163.03848	0.4
163.07550	6.5
164.08340	8.0
165.01859	0.6
165.05486	0.5
165.08815	0.4
167.03438	2.0
168.00534	0.5
169.01314	2.0
171.10168	1.3
174.03070	0.5
175.03886	1.0
176.08316	0.6
177.01790	0.3
177.09134	0.9
178.09924	1.3
179.10689	20.9
180.10982	1.0
184.10983	0.4
187.03934	0.4
191.05510	0.6
193.05075	0.3
193.08620	0.3
201.05403	0.3
201.11229	0.9
222.17551	0.4
278.18909	0.3
300.99942	0.7
306.18390	1.1
313.20267	3.4
321.20621	1.0
325.20145	0.7
341.23373	0.8
343.21240	4.2
344.21683	0.4
347.05667	0.7
350.21036	0.7
359.27975	0.5
361.60947	0.3
371.24066	0.4
373.25977	0.9
431.27957	0.4
446.30606	0.4
459.31186	0.5
461.33414	0.5
462.29999	2.0
475.30701	1.3
477.32153	5.5
478.32617	1.0
493.31601	3.4
504.30853	0.7
505.31723	4.6
506.31961	0.4
522.31763	2.3
523.32709	21.4
524.33051	3.3
533.29395	0.3
645.58551	0.3
667.36774	1.0
685.38098	100.0
686.38483	19.2
686.50519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46474	1.2
57.03315	3.2
59.00956	2.7
59.01247	46.8
61.96816	1.2
61.98701	41.8
71.01248	12.9
71.51073	1.9
71.51431	1.4
72.99175	2.6
73.02817	4.7
75.00730	1.5
78.95767	2.0
83.01263	2.6
83.04903	2.6
85.02827	7.5
87.00784	1.3
87.04397	1.5
88.98672	3.5
89.02322	5.5
93.03320	1.5
95.01249	2.5
95.04911	2.0
96.95882	4.2
97.02840	1.6
97.06455	1.9
99.00787	2.1
99.04367	1.7
101.02316	7.9
109.02853	2.9
109.06464	3.5
113.02316	6.4
119.03371	1.5
119.04901	2.0
121.02824	2.7
123.04426	4.3
123.21684	1.3
125.02332	10.4
137.02388	2.2
138.01878	1.3
139.03864	2.2
143.03360	1.3
149.02379	1.3
151.00272	2.3
151.03854	1.7
153.17003	1.2
161.02365	1.5
161.04445	2.3
161.05911	1.3
163.03914	1.7
163.11205	1.5
164.08592	1.3
165.01840	1.3
167.03419	9.7
168.00613	1.6
169.01381	6.3
171.10158	10.6
174.03096	1.5
175.03966	8.2
179.03423	1.7
181.05067	1.5
183.03009	1.4
183.10233	1.4
189.01865	1.4
194.86417	1.3
197.02139	7.9
197.11754	1.8
201.11208	3.7
203.03276	1.4
207.10214	3.5
207.13770	1.5
209.11757	13.4
221.11798	3.7
223.13347	7.9
225.11246	5.1
225.14890	2.2
227.12846	11.4
239.12817	3.4
253.09148	2.7
271.02426	1.8
271.05923	2.0
273.07721	1.6
289.07297	3.0
300.02783	2.5
301.00192	2.3
301.03714	4.2
318.05228	1.6
329.04480	2.9
345.04108	11.4
346.04785	55.5
347.05176	10.8
355.24960	1.9
359.05533	3.3
359.27939	2.1
371.24335	2.6
387.25244	1.4
389.06757	2.4
421.30994	2.0
455.31689	2.9
485.32666	6.2
486.32742	1.4
487.34262	100.0
488.34546	16.5
505.23218	1.4
523.22766	1.6
667.37457	2.5
685.38708	56.3
686.38947	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	685.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01191	13.8
59.01517	1.1
61.98640	11.8
63.10631	0.7
69.33224	5.8
71.01248	3.7
72.99138	0.9
73.02779	1.2
75.00666	0.8
83.01193	0.9
85.02761	1.2
89.02245	1.8
96.52331	0.7
96.95867	1.3
97.75308	0.6
98.19755	1.1
99.04337	0.7
101.02243	2.5
109.02780	0.9
113.02264	1.6
116.92773	4.2
117.92646	2.2
118.92472	1.6
119.03319	0.7
121.02798	0.8
123.04321	1.8
125.02235	2.2
128.11705	0.6
135.04341	1.6
151.03853	0.9
151.07491	1.5
161.04427	0.9
165.38509	0.7
167.03316	2.3
167.43385	0.7
168.00443	0.9
169.01253	1.4
175.03806	2.3
181.04951	0.9
183.06480	1.2
191.05530	0.8
197.02188	7.8
207.13992	0.7
209.11809	3.6
221.11710	1.7
225.14830	1.0
227.12726	3.7
239.12721	0.9
242.02405	0.7
255.22899	0.7
259.13614	0.6
266.82297	0.7
289.07156	1.4
293.21213	0.7
313.03400	0.7
327.21683	0.8
345.04031	1.2
347.05145	0.8
348.06509	0.7
485.33142	1.2
487.34305	100.0
488.34613	14.4
628.33521	0.7
636.39001	0.8
656.56635	0.8
665.46899	0.7
667.36902	1.0
685.37720	40.5
686.37994	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	685.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	14.8
59.01251	10.6
61.98383	2.2
61.98700	33.4
64.22664	1.0
69.03318	2.8
70.05550	2.3
70.05949	3.9
71.01265	7.8
73.02818	2.2
78.95773	2.1
81.03313	2.2
81.27210	0.9
83.01232	1.9
83.04893	47.1
84.05206	1.2
85.02814	4.2
88.98691	1.4
89.02309	3.4
89.62003	1.2
93.03328	12.4
95.04919	1.0
96.95860	3.8
97.02781	1.1
97.06427	1.4
99.00768	2.0
99.04372	1.4
101.02337	4.8
109.02840	1.9
109.06467	1.3
113.02277	2.2
119.04932	8.3
121.02833	1.5
121.06356	1.1
123.04428	5.9
125.02329	4.3
126.35738	1.1
135.04407	1.9
137.02345	2.1
137.09589	1.1
139.00189	1.1
143.03345	1.3
145.06439	3.1
147.03311	1.6
147.04424	18.8
151.03911	1.5
161.02322	3.8
161.04471	2.6
161.05904	1.2
163.03876	1.7
163.07564	17.8
163.11166	2.0
167.03419	12.9
168.00513	1.6
169.01312	1.5
171.08989	1.1
171.10211	11.0
174.03156	1.6
175.03940	9.2
189.09140	11.4
190.02522	1.9
191.03384	1.8
195.13864	1.8
201.11234	2.1
205.04962	1.8
205.12233	1.2
207.10201	2.3
209.09894	1.7
209.11763	18.6
210.12076	1.5
221.11816	8.0
223.13332	15.8
225.11316	6.8
227.07127	1.1
227.12788	3.9
239.12863	8.0
242.05803	1.7
247.13255	1.5
253.09239	3.7
255.06677	7.1
255.09862	1.1
255.23022	1.8
256.06937	1.3
257.08157	3.1
267.06442	1.1
269.07999	4.4
271.06198	2.0
271.09601	3.7
281.08102	1.3
283.06186	2.0
283.09900	1.4
284.06668	1.3
289.07352	1.4
295.09875	4.8
298.08484	10.8
299.09134	10.0
300.99969	2.2
301.10626	3.2
313.10822	35.1
314.11200	3.3
323.08990	2.0
324.09863	1.5
325.10617	2.9
329.04556	1.5
330.05090	1.2
339.05148	1.2
339.12155	2.6
342.11050	20.1
343.11688	1.8
346.04834	1.4
346.10550	1.4
347.05435	4.3
348.06247	4.4
353.13837	1.3
355.25107	1.2
357.13388	40.9
358.13776	4.0
359.27826	3.3
371.10147	1.2
371.14667	1.8
371.24213	2.4
373.25836	1.7
397.16150	3.0
449.10028	1.2
459.17383	6.3
477.19046	5.0
479.11301	2.0
485.32138	1.8
487.33951	3.8
503.20685	16.6
504.20963	2.1
521.21808	60.5
522.09442	2.4
522.22156	9.7
523.10284	1.9
649.27655	5.2
667.29120	30.5
668.29578	7.3
685.14948	4.6
685.30005	100.0
686.30463	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	685.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
61.98690	1.0
65.00191	0.7
65.07241	0.6
71.01253	1.8
71.50727	1.0
72.99166	0.7
73.02814	0.7
75.00742	0.6
83.01277	1.3
84.25379	0.5
85.02820	0.6
87.00794	0.6
89.02293	0.7
93.03360	0.8
95.01239	0.6
96.95885	1.1
101.02293	1.1
107.01273	2.4
108.02079	0.8
109.02824	1.8
111.00724	0.6
113.02341	0.9
117.03376	1.1
120.99509	1.6
121.02820	0.7
123.00758	1.1
123.04411	0.7
123.62444	0.6
124.01527	3.5
125.02342	2.2
134.03624	0.6
135.00778	0.7
135.04401	3.8
136.03342	0.5
137.02319	2.6
137.06058	0.6
145.02858	2.9
149.02303	0.9
151.00281	7.0
152.01013	2.4
161.02330	1.0
163.00273	1.7
164.01065	2.8
165.01877	0.9
165.05577	0.5
167.03413	0.7
169.01318	2.0
174.03076	0.7
175.03871	2.9
177.01923	1.3
178.99767	7.5
179.03453	0.9
180.17958	0.6
181.05014	0.7
183.10216	0.6
187.04019	0.8
190.02548	1.0
191.03429	1.1
191.05469	0.8
199.03958	0.7
202.82813	0.6
203.03453	1.7
204.04111	0.6
214.02640	7.5
215.03310	1.7
217.01237	0.6
222.86415	0.6
227.03554	1.3
229.01411	0.5
231.02814	0.9
232.03775	0.6
242.02145	5.2
243.02905	3.8
244.03903	0.5
259.02432	6.3
260.02786	0.7
270.01694	7.2
271.02457	43.1
272.02875	3.2
287.01971	26.7
288.02432	4.0
297.04507	0.6
298.98520	1.0
299.01947	1.5
300.02640	1.0
300.99976	0.8
301.03494	0.7
307.08020	1.2
315.01401	2.2
316.02219	100.0
317.02832	18.8
318.03314	0.6
330.03647	1.1
331.04575	1.1
385.05499	0.8
390.06946	0.6
441.19955	1.0
479.08255	23.6
480.08551	2.8
493.09631	1.8
509.10831	0.7
527.66382	0.6
685.14050	42.1
685.83051	0.6
686.14343	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	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62836	0.2
57.03304	0.3
59.01249	3.6
61.98699	1.1
62.73844	0.2
68.43414	0.2
71.01246	2.2
71.50150	0.3
73.02808	0.5
78.95792	0.3
83.01264	0.4
85.02837	0.5
87.00766	0.5
88.98667	0.6
89.02312	1.6
95.01265	0.3
97.02856	0.3
99.00734	0.2
99.14924	0.2
101.02319	2.3
111.08008	0.2
113.02340	1.4
119.03380	0.5
123.04427	0.9
125.02339	0.5
125.09610	0.7
127.11179	2.1
133.04901	0.4
137.02399	0.2
143.03389	0.3
145.04962	0.3
151.03918	0.4
152.99504	0.2
153.09135	0.7
161.04424	0.8
167.03423	0.2
171.10175	100.0
172.10524	4.6
172.11813	0.1
179.05516	0.3
179.14275	0.4
195.13820	3.4
196.14296	0.3
205.15948	0.3
209.11769	0.3
211.13268	0.2
223.13359	2.2
228.13637	0.4
235.08188	3.5
236.08446	0.2
253.09264	10.5
254.09579	0.5
256.13113	0.4
275.20148	4.0
276.20447	0.3
291.19803	0.2
293.21210	39.8
294.21552	3.5
391.91782	0.2
407.19104	1.4
447.30823	0.3
471.34631	0.7
475.17435	0.2
492.21820	0.2
511.28998	0.3
529.30054	0.4
623.41748	0.4
651.30475	0.2
683.27917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99945	0.5
57.56640	0.5
59.01139	3.4
59.01463	0.8
61.98589	22.7
61.98948	5.9
66.20471	0.5
67.35255	0.5
71.01137	2.1
71.09319	1.2
72.99049	0.5
73.02746	1.0
73.03089	0.4
78.48670	0.4
78.95663	0.5
80.28491	0.4
83.04729	0.5
85.02720	1.2
88.98558	0.8
89.02222	1.1
93.03234	1.1
95.01131	0.5
95.04795	0.6
99.04243	0.5
101.02208	1.1
109.02739	1.1
113.02197	1.0
116.92587	1.6
119.04783	1.3
121.02710	0.8
122.03434	1.6
123.04393	2.5
125.02184	2.1
134.03453	0.6
135.04219	1.8
137.02217	1.2
149.02159	0.7
149.05879	0.5
151.03831	0.6
153.05208	0.6
161.02252	1.0
163.03766	0.9
165.01729	0.8
167.03223	1.0
169.01183	1.1
175.03748	1.1
179.03200	1.7
181.04942	1.0
183.02792	0.7
190.02432	1.4
191.05301	0.8
197.02156	9.0
205.04747	0.7
209.11552	2.3
271.05609	0.5
278.75439	0.5
289.06934	0.8
346.04684	0.6
357.26379	1.5
358.26639	0.7
359.27713	0.6
391.22592	0.6
391.29868	0.8
439.32132	4.1
464.08099	0.6
465.09293	1.1
485.32706	100.0
486.33087	19.2
513.49731	0.6
678.60669	0.6
683.14441	2.4
683.36011	31.4
684.36652	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	683.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01303	0.7
57.03316	2.2
59.00960	1.3
59.01249	24.3
60.14324	0.7
61.98381	1.6
61.98703	32.3
69.03314	4.4
71.01254	11.4
71.04900	2.5
71.51146	0.7
72.99174	2.6
73.02821	2.1
75.00745	5.5
75.99561	0.8
78.95771	1.9
83.01235	1.6
83.04904	1.5
85.02824	8.2
87.00743	2.8
89.02300	3.7
93.03336	1.7
95.01260	1.9
96.95891	1.5
97.06478	1.2
97.75909	0.8
99.00749	4.2
101.02336	4.6
109.06462	1.3
111.08056	0.9
113.02331	7.7
119.04885	0.8
121.02826	2.4
123.00804	1.0
124.66492	0.8
125.02344	1.5
125.09608	3.2
131.03407	0.9
134.57423	0.8
135.04379	1.0
137.02351	1.0
145.02873	1.0
149.09740	0.9
151.03937	1.0
151.11197	1.8
151.54625	0.9
152.99411	0.8
161.04477	1.5
161.09619	2.2
163.11238	1.8
167.10649	2.3
173.04468	1.1
175.02435	1.3
175.03896	1.5
179.10757	6.8
179.14360	1.7
180.10899	0.8
183.35646	0.8
191.05600	1.7
195.13789	6.0
197.11757	50.8
198.12131	2.4
205.12286	5.8
207.10231	2.0
209.11778	12.5
221.11862	1.1
223.09836	1.0
223.13341	21.8
224.13731	0.9
225.11276	1.0
227.12906	1.7
230.81525	0.8
236.98195	0.8
237.14813	3.9
239.12827	1.3
241.10789	2.8
251.16560	0.9
253.09198	2.9
300.99878	1.2
395.55618	0.8
400.79263	0.9
459.18991	1.5
465.08850	1.1
473.20761	1.5
477.19763	3.5
485.32538	2.5
541.74243	0.8
572.67090	0.9
620.31836	1.7
623.41510	1.7
665.12250	0.9
683.13519	4.0
683.32800	100.0
684.33099	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	683.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72927	1.1
57.03326	1.8
59.01245	17.7
60.99156	1.1
61.98699	58.0
67.01768	1.5
69.03326	2.8
69.12871	1.1
70.25102	3.1
71.01239	9.9
71.04858	1.6
73.02804	4.8
75.00745	1.6
81.03312	1.4
83.04890	3.0
85.02823	18.1
87.00732	5.1
88.98657	2.7
89.02306	3.6
93.03322	12.4
96.95868	2.7
97.02801	1.1
99.04382	2.2
101.02321	4.1
105.56259	1.3
107.01262	1.2
108.02028	1.5
109.02827	3.9
111.00768	1.3
111.04388	2.5
113.02319	5.5
115.00268	1.5
119.04884	4.0
121.02884	1.9
123.04411	3.5
125.02322	8.1
127.03882	4.0
127.50449	1.2
133.02811	2.3
135.02835	1.3
135.04395	12.4
136.04787	1.5
137.02338	3.6
137.05988	2.0
143.03368	2.4
144.21336	1.2
145.02853	1.9
147.04378	4.1
151.00296	3.2
152.01074	1.5
155.03339	1.9
159.04347	2.0
161.02353	12.1
161.04424	3.0
163.03918	2.8
163.79715	1.1
165.05486	1.8
167.03377	3.1
168.04086	1.6
169.01308	3.1
171.03000	1.6
173.04494	2.9
174.03099	1.4
174.80127	1.2
175.03915	4.9
176.77222	1.2
177.01747	2.9
179.03355	3.6
181.04906	5.0
183.06453	2.1
187.04001	1.7
191.05519	62.8
192.05954	1.4
209.11783	2.4
261.05466	1.5
263.07016	1.2
271.06046	5.3
273.05466	1.8
274.06329	1.4
285.05429	2.0
287.03500	1.4
289.07346	2.0
290.05701	2.2
291.06534	4.6
292.07150	1.7
300.02396	1.7
301.00012	1.7
301.04904	3.9
303.06509	3.1
313.04968	3.6
314.05972	2.3
315.06577	2.4
316.03641	2.4
317.04388	2.2
329.04437	5.1
330.05176	3.9
331.06119	9.1
345.03915	1.7
347.05389	1.5
357.26578	1.3
359.27982	3.6
373.08575	2.3
375.10214	3.9
391.09744	4.0
400.07440	1.9
401.08167	5.3
402.08771	1.5
403.09702	2.0
405.07526	2.1
417.07874	1.8
419.09271	11.6
429.07529	4.6
430.08118	1.9
431.09103	3.6
433.06696	1.4
434.07956	1.5
437.10315	2.0
439.32098	2.1
445.06882	5.4
446.07840	3.2
447.08719	21.2
448.09402	7.7
449.10229	4.2
455.05487	2.3
455.31516	3.0
457.06845	1.5
463.08188	3.8
465.09769	15.0
466.10095	2.2
473.06693	20.8
474.06897	5.0
475.08249	7.7
476.08447	1.8
485.32745	12.8
489.35886	8.0
490.36151	29.2
491.07678	59.2
491.36435	8.3
492.08423	43.8
493.09268	40.3
494.09698	5.0
503.33661	2.7
509.08646	18.1
510.09335	2.3
520.07050	1.7
521.21637	1.4
559.13928	2.7
621.13995	40.3
622.14447	6.2
637.13434	1.4
665.13068	43.1
666.13037	6.9
682.34192	1.6
683.13971	100.0
683.37720	10.9
684.14294	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	683.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04346	0.6
63.02257	1.2
65.00197	2.9
71.50224	1.0
72.52219	0.6
75.45221	0.6
83.01237	2.0
93.03334	1.1
96.95855	1.0
107.01262	5.1
107.60046	0.6
109.02833	2.2
121.02834	5.3
125.02332	0.7
144.68753	0.6
148.53157	0.6
149.02382	1.0
151.00273	26.1
152.00670	1.2
153.01878	0.7
163.00246	1.5
169.01311	1.5
178.99770	14.2
180.00055	0.7
193.01309	0.8
194.61493	0.6
211.03911	0.5
229.05060	0.7
235.17766	0.7
245.04533	1.4
255.02930	0.8
257.04639	1.1
273.04099	1.6
283.02481	1.1
301.03513	100.0
302.03882	7.9
380.99200	31.2
381.99414	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	681.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32410	0.7
55.01747	2.1
57.03304	2.9
58.00453	1.1
59.01252	47.1
61.98703	22.1
69.03333	1.7
70.32436	0.6
71.01253	32.0
71.02661	0.7
71.51790	1.2
72.01546	0.7
72.99169	2.8
73.02820	10.6
75.00740	1.9
81.03280	0.9
83.01255	5.0
83.04902	1.0
85.02824	11.4
85.84796	0.7
87.00755	12.6
88.98664	2.6
89.02308	7.8
93.03320	1.7
95.01255	2.1
96.95882	2.2
97.02824	1.5
99.00755	4.3
101.02321	22.3
102.02657	1.6
108.02008	1.7
109.02837	2.6
111.00706	1.4
113.02322	11.3
114.01857	0.7
115.00255	15.3
116.92715	0.8
117.03309	1.7
119.03403	1.7
119.04903	8.0
121.02833	1.6
123.00738	1.4
123.04394	1.8
125.02332	6.6
126.02635	0.9
129.01880	0.9
133.02815	1.5
134.03609	2.1
134.05997	1.2
135.02882	1.0
135.04413	1.9
136.07556	2.8
137.02313	1.9
139.00229	0.8
139.03929	0.8
139.11169	0.7
143.03391	1.0
145.02837	3.1
147.04385	1.2
149.02336	1.0
149.05954	1.1
150.03140	0.8
151.00269	1.1
151.03989	1.0
152.01062	1.2
153.01773	0.9
159.02881	1.8
159.04265	1.0
160.01501	1.4
161.02353	3.6
161.04500	4.7
161.05798	1.0
163.03918	6.6
165.05278	0.8
167.03383	2.2
169.01331	4.1
170.01639	0.9
173.04474	1.0
174.03110	1.9
175.02376	28.0
175.03915	13.0
177.01814	1.5
179.03369	1.6
179.05508	1.7
183.02902	1.1
185.11765	0.8
189.05432	1.1
190.02531	1.2
191.03398	5.8
191.05508	2.6
192.03889	1.2
193.04921	1.0
203.07010	1.0
205.05089	1.1
209.11833	1.1
210.67938	0.7
238.00700	0.7
246.71675	0.7
289.07300	1.0
297.24234	1.3
299.99112	0.9
301.00021	1.4
313.07108	1.6
323.94034	0.8
327.25204	1.2
339.25272	2.2
341.06940	1.2
341.10846	3.9
357.26456	18.7
358.26898	2.1
371.24435	0.9
375.27475	2.0
384.61371	0.7
389.29190	0.8
404.38712	0.8
430.17560	2.0
441.28467	1.4
459.29468	4.2
466.12308	1.2
473.32761	8.7
474.16690	2.2
474.32938	1.4
489.32236	9.9
490.32663	1.4
501.31958	0.9
506.19327	5.6
511.23285	0.8
519.31665	1.7
566.22894	0.7
621.34338	3.7
681.12683	2.7
681.37048	100.0
682.25696	1.0
682.37390	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	681.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03318	2.5
57.15995	0.8
58.00458	0.8
59.01249	49.1
61.98702	18.1
65.43693	0.6
66.14341	0.8
69.03333	0.8
71.01253	27.9
72.99176	2.4
73.02815	9.4
75.00739	1.4
83.01245	4.8
85.02822	13.6
87.00751	11.2
88.98678	2.3
89.02313	7.3
93.03348	1.4
95.01251	2.1
96.95886	2.3
97.02819	1.9
99.00763	4.2
101.02321	23.0
108.02066	0.9
109.02798	2.3
111.00746	2.4
113.02337	11.4
115.00258	13.3
116.92734	2.1
117.03375	0.8
119.03351	2.6
119.04905	13.6
120.05145	0.8
121.02805	1.0
122.03586	0.7
123.00770	1.0
123.04391	1.5
125.02348	8.0
129.01802	1.5
133.02852	1.6
134.03604	1.1
135.02815	0.7
135.04437	1.8
136.07556	2.1
137.02325	2.3
139.00252	1.1
143.03377	1.7
145.02844	3.1
147.04398	1.4
149.02296	1.1
150.03119	0.9
151.00201	1.1
151.03850	1.4
152.01082	0.9
153.05495	0.8
159.02879	1.4
160.01575	2.0
161.02434	3.9
161.04417	4.4
163.03912	11.8
165.02011	0.7
167.03381	1.5
168.00462	0.8
169.01331	4.7
173.04443	1.3
174.03116	2.0
175.02379	25.5
175.03915	10.8
177.01871	1.7
177.05515	1.0
179.03435	1.3
179.05562	1.8
185.11777	1.1
187.03966	1.5
191.03398	4.2
191.05527	2.9
201.02267	0.7
205.04982	1.6
209.11781	0.8
217.01311	0.9
227.03497	1.0
231.06598	0.9
267.02762	0.8
279.23190	0.9
281.09366	1.0
289.07312	1.5
293.09125	1.0
297.24420	1.1
300.99847	1.7
309.24631	1.0
313.06870	1.5
325.23718	0.8
327.25336	2.3
339.25430	2.5
341.06805	1.2
341.10770	5.9
355.24863	1.6
357.26468	25.5
358.26669	2.5
371.24234	1.0
373.26108	0.9
375.27551	3.2
389.29236	1.1
399.27460	1.0
430.17850	2.2
441.28030	0.7
459.29031	4.3
460.29739	1.0
466.12073	0.7
473.32751	10.0
474.16812	3.0
474.32932	1.1
489.32208	12.6
490.32416	2.1
501.06006	1.1
501.31888	1.6
505.19144	1.2
506.19165	4.6
518.06598	1.8
519.07043	1.8
519.31891	1.4
621.33850	3.5
663.37054	1.3
681.12732	3.0
681.37103	100.0
682.12903	1.0
682.37512	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	681.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	10.8
59.60216	0.7
61.98700	51.9
62.28945	0.7
69.03320	0.8
69.25258	0.6
70.53777	2.1
70.66061	0.6
71.01247	3.8
72.40688	0.7
73.02823	1.7
80.91569	0.6
81.03333	1.2
83.04895	1.7
84.64043	0.7
85.02821	11.4
87.00761	3.1
89.02324	2.0
92.49378	0.7
93.03327	9.4
99.04401	1.2
101.02345	1.2
109.02802	1.1
111.04408	3.3
113.02308	1.2
121.02792	0.9
125.02329	1.2
127.03906	1.6
129.01820	0.8
135.04404	5.1
137.02335	1.1
155.03404	2.0
159.04391	1.4
161.02354	4.9
167.03348	0.8
173.04430	2.1
175.03954	2.1
177.01871	1.5
179.03409	2.8
191.03770	1.8
191.05539	36.0
192.05865	1.3
197.11739	2.4
209.11810	2.4
215.78963	0.9
239.58530	0.7
277.05057	1.7
285.05487	2.0
297.24448	1.0
328.03635	1.2
329.04562	5.3
355.25018	0.9
357.26324	1.9
361.08704	1.5
369.04004	1.2
371.06848	1.5
372.07751	0.9
373.08664	1.1
388.07336	2.0
389.08096	3.1
390.09036	1.6
391.09866	1.2
392.07037	1.0
399.06528	2.8
400.07156	1.3
401.08109	2.5
403.06009	0.9
404.06808	1.5
405.07642	1.2
406.04163	0.9
406.08698	1.3
407.09146	1.6
416.06940	2.1
417.07498	4.4
418.08334	2.5
419.09427	1.6
420.06311	1.0
427.06189	1.9
428.06641	1.5
434.04187	4.3
435.09015	5.7
436.09225	1.2
438.54904	0.8
444.06152	1.7
445.07150	43.6
446.07745	14.1
448.05875	3.0
459.30722	1.3
463.08209	100.0
464.08533	15.4
471.04959	0.9
472.05432	1.4
489.06073	2.8
489.35815	15.5
507.07129	10.3
508.07480	1.7
614.46991	0.8
663.11536	4.9
680.35687	1.1
681.12445	80.7
681.36615	2.4
682.12732	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	681.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
61.98699	12.9
67.01780	0.4
69.34146	1.4
69.34575	1.2
71.01235	2.4
72.99150	0.3
73.02810	0.6
78.65037	0.2
81.03345	0.4
83.04876	0.7
85.02810	3.2
87.00764	1.0
89.02302	2.0
93.03335	3.8
101.02316	1.0
109.02867	0.3
111.04400	2.0
113.02325	0.9
119.03359	1.1
119.83546	0.3
120.99525	0.3
121.02795	0.4
125.02337	0.3
127.03901	0.8
129.01880	0.4
129.36186	0.3
135.04393	0.7
137.02316	0.7
143.03429	0.3
143.91119	0.3
145.02806	0.3
155.03389	2.3
159.04416	0.9
161.02342	2.7
161.04449	0.4
161.60892	0.2
173.04443	6.7
175.03847	0.4
177.01854	0.3
179.03479	0.3
179.05531	0.5
181.05000	0.7
185.11693	0.3
191.05539	12.7
192.05956	0.6
209.11906	0.3
216.16013	0.3
233.06613	1.0
236.02501	0.3
247.04048	0.3
261.05270	0.3
275.07150	0.4
300.04333	0.8
301.04996	0.6
303.02914	1.4
315.06802	0.6
327.25360	1.1
328.03809	0.5
329.04456	0.6
339.25348	0.6
341.12332	1.2
345.09085	0.4
348.07971	0.3
357.26422	8.1
361.08499	0.8
363.06390	0.4
364.07449	0.6
372.08185	0.5
373.08844	0.5
375.06580	0.8
376.07297	0.3
387.06644	0.3
388.07318	0.7
389.08167	1.3
390.08963	0.6
391.05518	0.4
391.09943	0.6
392.06860	0.5
399.07080	0.4
401.08121	0.6
403.06030	1.4
404.06839	1.3
407.09415	0.6
416.07236	0.7
417.07611	3.9
418.08206	1.2
419.04901	0.5
419.09955	0.7
420.06122	0.8
421.07419	0.3
427.06149	0.3
431.05386	1.8
434.08307	0.4
435.08603	1.8
444.06326	0.6
445.07126	21.9
446.07642	6.3
447.04831	1.6
447.99536	0.5
448.05771	9.0
449.06186	1.1
457.33115	0.9
458.33881	2.4
459.33929	0.5
462.07581	0.9
463.08194	100.0
464.08490	14.2
507.07275	2.3
508.07574	0.4
518.06305	0.3
681.12299	5.1
681.35394	1.0
682.12970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
58.00461	0.4
59.01252	7.6
61.98704	15.9
64.69064	0.4
67.01756	0.7
67.05666	0.5
69.03316	1.7
69.16309	0.4
71.01261	2.7
71.04861	0.6
71.38663	0.8
73.02813	1.2
75.00725	0.6
78.95771	0.9
81.03324	0.8
83.04880	0.9
85.02824	11.4
87.00743	2.3
88.98682	1.3
89.02325	1.2
91.91203	0.4
93.03342	6.6
97.02789	0.4
99.04388	2.1
101.02306	1.4
109.02829	1.1
111.04404	2.5
113.02252	2.0
115.00326	0.5
119.04865	0.6
121.02847	1.3
123.04409	0.6
125.02305	1.2
127.03889	1.9
129.01807	0.5
134.64360	0.5
135.04417	1.1
137.02315	1.0
143.03424	0.6
150.55708	0.4
155.03438	0.7
159.04439	1.3
161.02336	1.9
165.01797	0.5
168.16740	0.5
171.02917	0.9
173.04468	1.8
174.03128	0.8
175.03923	3.9
176.04221	1.3
191.05539	33.5
192.05893	1.2
209.11745	0.6
223.13242	0.4
249.05692	0.5
251.16510	1.9
252.16829	0.8
255.02832	0.5
275.25177	0.5
285.05652	2.4
288.69882	0.5
296.09283	0.6
300.04248	0.7
300.99847	0.6
328.03732	1.9
329.04553	11.3
330.04941	1.1
341.04758	0.5
342.05209	0.6
359.28119	1.0
360.07849	0.8
361.08636	1.7
369.03937	0.7
372.08054	0.5
375.06781	0.6
387.06686	0.7
388.07507	2.1
389.08029	2.0
390.08832	1.0
390.13705	0.4
391.09555	0.6
399.06595	0.5
401.08173	1.0
401.27017	0.4
404.06900	0.5
405.08170	0.9
406.08142	0.7
407.09125	1.0
416.06848	4.2
417.07584	3.0
418.08304	0.9
419.05527	0.5
433.07239	1.4
435.08551	1.0
443.05664	1.1
444.06390	1.1
445.01508	0.7
445.07159	6.4
446.07877	2.5
448.05847	0.8
461.06595	2.2
462.07446	0.6
463.08246	9.7
464.08557	1.9
471.05023	4.3
472.05859	1.3
483.31171	0.9
488.34656	1.5
489.06152	41.0
490.06561	7.1
491.07535	0.8
501.32132	1.1
507.07196	29.1
508.07581	4.5
635.11761	1.6
663.11469	9.1
664.11737	1.8
681.12488	100.0
682.12848	22.9
682.23541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.98701	100.0
69.19017	2.1
71.01254	0.2
71.39559	0.2
71.57797	0.2
72.09711	0.2
78.95782	0.2
96.15467	0.2
98.20645	0.3
101.24516	0.2
123.20483	0.2
161.02327	0.3
173.02350	3.9
174.03122	4.2
174.04477	0.3
175.03818	0.2
176.28574	0.2
220.61906	0.2
237.75037	0.2
249.10826	0.2
264.65857	0.2
300.70187	0.2
305.66687	0.2
345.04068	0.5
347.05530	0.7
365.14273	0.2
395.83997	0.2
518.07172	0.2
520.07892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36253	1.1
52.19679	1.1
59.01231	1.5
61.98700	100.0
71.50019	1.2
80.96387	1.3
154.43011	1.4
197.80444	1.2
258.67346	1.3
270.82086	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	681.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41440	0.5
57.03312	0.8
59.01247	7.1
61.98702	15.2
67.01751	0.5
69.03316	0.7
71.01260	3.2
73.02825	1.6
75.00751	0.8
80.96455	0.5
81.03342	1.4
81.60744	0.5
83.04901	1.7
85.02818	10.5
87.00734	3.2
89.02325	1.4
89.06844	0.5
90.31930	0.5
91.51666	0.5
93.03335	9.5
97.15740	0.5
99.04395	0.8
101.02335	1.7
106.15291	0.6
108.02009	0.6
109.02840	2.0
111.04403	3.6
113.02312	0.9
116.84907	0.5
117.03338	1.6
118.42487	0.6
119.04911	4.8
120.05260	0.7
121.02817	1.2
123.00726	0.6
123.04398	0.9
125.02330	2.0
125.09662	0.7
127.03886	1.6
133.06474	0.5
135.04401	1.8
137.02388	1.3
145.02838	4.0
147.04446	0.7
149.02280	1.0
155.03400	2.4
159.04356	1.1
160.04730	0.7
161.02348	5.2
161.04434	1.2
161.06042	0.5
163.03920	6.5
164.04306	0.6
169.01344	1.2
173.04449	2.9
175.03937	2.2
178.75711	0.5
179.03438	0.9
181.05014	0.6
190.02592	2.0
191.05536	28.0
192.05927	0.9
205.05000	1.9
233.06534	0.7
259.06030	0.7
273.05551	0.7
277.04974	2.0
279.06573	3.6
285.05585	1.6
300.04340	0.7
303.06494	1.1
313.05072	1.0
328.03812	0.7
329.04477	5.6
342.05350	1.9
345.09036	1.0
352.09482	1.3
353.10361	2.1
355.25064	1.1
357.26547	0.7
361.08780	1.4
369.04141	0.8
371.07043	1.8
372.07986	0.8
373.08447	1.3
373.26059	1.8
375.27609	1.0
376.06857	0.6
388.07657	0.8
389.08310	2.8
390.09106	1.7
392.06793	0.6
399.06497	2.5
400.07269	1.6
401.08112	2.0
403.06378	0.7
404.06656	0.8
405.07550	0.8
406.03995	0.6
406.08682	1.3
407.09085	2.4
416.07019	2.0
417.07526	4.9
418.08075	1.3
419.09149	1.1
420.06259	0.9
427.06216	1.8
428.06906	1.9
431.05389	0.6
434.03967	3.3
435.08868	5.1
436.09369	0.9
444.06339	1.1
445.07135	42.2
446.07739	12.8
448.05820	2.8
449.06183	0.9
463.08215	100.0
464.02203	1.0
464.08560	16.4
472.06003	1.2
489.06244	1.9
489.35892	2.3
507.07166	8.0
508.07581	1.2
533.80414	0.6
635.12372	1.0
663.11469	6.7
664.11560	0.7
680.34692	0.6
681.12463	77.6
681.36761	2.5
682.12823	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	679.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36225	0.2
51.18174	0.1
59.01254	2.4
61.98704	6.1
64.77109	0.2
71.01264	1.0
72.99173	0.3
73.02792	0.2
75.00745	0.2
75.12800	0.1
77.47202	0.2
78.91767	0.8
78.95781	0.2
85.02832	0.2
87.00745	0.3
87.12351	0.2
89.02321	0.5
93.03345	0.2
96.95860	0.2
97.02819	0.2
99.00755	0.2
101.02306	0.6
111.13596	0.1
113.02357	0.3
117.03357	0.2
119.04916	0.3
123.04469	0.2
125.02327	0.4
130.04141	0.5
131.04927	4.1
132.05269	0.2
133.02730	0.4
133.20801	0.2
135.04410	0.6
137.02301	0.2
145.02881	0.3
146.19048	0.2
147.04454	0.8
149.06064	0.2
157.02861	0.3
157.95833	0.2
158.03596	0.4
159.04333	0.3
160.01582	0.1
161.02321	0.3
161.04430	0.2
163.03967	0.2
171.10110	0.2
173.02362	0.6
174.03146	10.9
175.03920	100.0
176.04266	4.5
177.01842	0.9
177.05482	0.2
179.03424	0.3
189.01967	0.3
191.05594	0.2
197.11740	0.3
200.04745	0.2
208.05247	0.4
209.11801	0.2
217.05008	0.4
223.07701	0.4
229.05009	0.2
236.04666	0.2
240.04211	0.2
249.00545	0.2
249.14943	0.6
251.07037	1.2
251.16556	0.7
252.07748	0.2
265.18097	0.3
269.08261	0.6
293.17618	0.5
296.09671	0.2
300.99606	0.2
313.23779	0.5
339.25116	0.2
341.26981	0.9
355.24835	0.5
359.28012	4.1
360.28488	0.4
373.29697	0.6
401.29172	0.5
457.29251	0.3
487.34314	1.4
488.34528	0.2
520.57166	0.2
543.09760	0.2
679.36371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4269
Annotation	Kahiricoside IV
Peak:m/z	Relative Intensity
58.00454	0.3
59.01249	35.9
61.98712	2.3
68.33788	0.3
68.97784	0.3
69.58860	0.3
71.01243	1.1
71.51689	0.5
74.69234	0.3
78.95771	1.3
85.02766	0.4
88.01138	0.3
101.02316	1.4
113.02313	0.5
119.03381	0.5
127.04174	0.3
152.99513	0.6
161.04518	0.5
197.11697	0.4
221.06491	0.5
258.59982	0.3
293.21277	0.7
385.24426	0.3
455.35275	100.0
456.35593	17.0
617.40594	1.6
677.41699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03325	1.0
58.00465	1.7
59.01251	39.1
60.01579	0.4
61.98709	0.7
68.99678	0.5
69.03327	2.0
71.01253	34.3
72.01620	0.3
72.99181	2.7
73.02814	5.8
73.03204	0.5
75.00764	0.7
78.95779	0.9
80.97611	0.3
81.03339	1.5
83.01253	3.9
85.02825	7.3
85.99982	0.4
87.00748	8.9
87.01283	0.5
89.02315	28.0
90.02673	0.3
91.03862	0.6
93.03355	0.3
95.01247	2.4
97.02827	6.6
98.20565	0.6
99.00762	1.8
101.02325	27.8
102.02681	0.3
103.00233	0.4
103.03915	0.4
109.02797	0.6
111.00761	0.7
111.04403	1.0
113.02328	12.8
115.03904	0.6
119.03387	9.4
121.02858	0.8
123.00733	0.3
123.04411	0.3
124.01519	0.5
125.02338	11.2
128.85861	0.2
129.01860	0.4
129.77629	0.2
129.80556	0.2
131.03389	2.0
133.04936	1.0
137.02452	0.4
139.03918	0.8
141.01817	0.6
142.02603	0.3
143.03407	5.8
149.04427	0.8
152.99493	0.5
161.04457	6.6
167.03381	0.9
169.04964	0.5
171.02824	0.5
175.06006	0.3
177.96591	0.3
179.05542	6.0
185.04434	0.7
199.06140	0.4
203.05621	0.3
206.10789	0.2
217.07149	1.2
219.05061	0.3
221.06560	2.2
235.08188	13.4
236.08563	0.6
245.06660	1.0
253.09282	3.3
261.22202	0.5
263.07709	1.3
277.09216	1.1
279.23279	100.0
280.23630	8.8
287.07697	3.0
293.24854	0.3
305.08801	3.4
323.09708	1.6
328.45288	0.3
361.11130	0.3
379.12405	1.0
397.13483	75.0
398.13818	6.1
415.14563	31.4
415.18961	0.4
416.14893	2.3
522.86108	0.3
531.96570	0.3
677.36505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07401	0.1
55.94271	0.1
59.01248	1.3
61.98702	2.0
70.98470	0.1
71.01255	0.6
71.50582	0.2
71.50961	0.2
78.95734	0.1
79.95561	0.1
85.02802	0.1
88.98656	0.2
89.02283	0.2
89.62011	0.1
92.86545	0.1
101.02324	0.4
115.74464	0.1
117.03356	0.2
119.04925	0.2
125.02347	0.1
129.03322	0.2
130.04121	0.5
131.04919	4.1
132.05231	0.2
133.02933	0.1
135.04414	0.1
137.02324	0.2
145.02936	0.1
147.04428	1.1
153.09024	0.2
157.02866	0.4
158.03596	0.3
159.04376	0.2
160.01550	0.1
161.02415	0.2
163.03841	0.1
171.10118	0.2
172.05316	0.1
173.02341	0.4
174.01573	0.2
174.03145	11.2
175.03915	100.0
176.04259	5.5
185.11775	0.2
187.03975	0.2
191.05583	0.2
199.03888	0.1
199.13264	0.1
200.04845	0.1
209.11772	0.1
217.04901	0.6
229.05017	0.1
247.13515	0.2
249.14951	0.4
262.36896	0.1
284.57529	0.1
291.15643	0.1
327.25406	0.3
335.05463	0.1
339.25372	1.0
340.25885	0.2
349.07339	0.2
357.19528	0.2
357.26462	3.3
358.26584	0.3
371.28162	0.2
399.27618	0.3
455.32092	0.2
485.32751	0.7
594.29364	0.1
677.37146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.9
66.15608	0.6
69.34513	1.4
69.34926	3.6
70.11817	0.5
80.04919	3.1
82.02859	2.5
90.34480	0.5
94.02862	38.1
94.06502	5.0
95.03207	0.8
96.04429	2.5
98.20502	1.2
104.04930	1.2
105.05727	1.8
106.06504	2.5
107.03640	5.4
108.04449	1.9
110.05989	1.3
120.04440	1.3
120.08076	27.3
121.08359	0.8
121.25977	0.6
122.06010	40.1
123.06345	1.8
124.07537	1.4
125.02343	0.7
132.04459	3.4
134.06013	9.1
136.03946	1.0
136.07587	0.8
137.04752	1.0
138.05507	17.3
139.02643	1.1
146.05927	0.9
148.03967	0.7
150.05502	2.1
152.07077	80.4
152.50117	0.6
153.07431	3.4
157.87378	0.6
158.02385	1.2
160.04007	1.2
161.04688	0.8
162.05492	0.7
164.03424	0.8
164.07103	2.0
166.05049	1.0
174.05487	1.6
186.05571	0.7
190.05013	5.1
197.10777	0.7
200.07211	0.7
210.07912	1.4
211.08591	0.6
211.12369	1.3
213.10400	0.6
213.13925	0.6
215.11877	1.9
221.10738	1.1
222.07845	0.8
223.08716	7.1
223.12315	1.0
224.09468	3.4
225.10213	3.4
225.64209	0.6
230.03319	0.6
233.11043	0.8
235.08676	0.9
235.12447	1.8
236.09377	1.6
237.10281	11.6
238.11024	4.1
239.08237	0.8
239.11870	9.7
240.12390	0.6
241.13416	0.7
245.12859	4.7
249.06691	1.9
249.10356	2.0
250.07375	1.2
250.11186	0.6
251.08176	4.1
251.11856	6.3
252.08865	1.0
252.12508	1.6
253.13457	1.9
262.07507	0.7
263.08249	5.6
263.11722	1.2
264.09021	9.9
265.09775	7.1
265.12692	1.0
266.10370	1.0
267.11374	1.7
268.08298	0.7
271.10754	1.1
276.09039	1.3
277.09830	4.7
278.10672	3.0
279.11368	30.6
280.11975	6.6
281.12839	2.0
283.10895	1.5
291.11362	6.4
292.12161	4.3
293.09637	0.9
293.12943	2.3
295.10858	4.5
296.11526	0.7
297.12476	1.6
298.21686	0.6
303.13531	1.3
303.38354	0.6
305.09344	1.6
311.13931	1.2
312.11203	0.7
313.11935	2.1
314.12720	0.7
322.09662	1.0
323.10352	7.7
324.11096	4.2
325.11859	3.3
326.12659	0.9
334.15515	2.0
335.10159	0.6
336.10992	0.6
339.09784	0.8
355.12976	3.9
356.13364	0.7
358.15527	1.2
372.17307	1.2
376.16537	3.2
376.20630	0.9
385.17664	0.8
388.16702	2.6
402.18280	10.0
403.18744	2.2
404.19705	1.8
410.72113	0.6
416.15250	1.0
416.19827	2.0
417.20502	2.5
418.17297	0.9
426.18439	0.7
427.19055	0.6
430.17603	1.1
431.18231	0.8
443.18497	1.3
444.19305	9.7
445.19800	3.3
448.18729	6.9
449.19412	1.1
453.17007	0.9
460.19214	0.9
461.19653	3.2
462.20374	5.5
463.20508	1.0
471.18109	2.3
488.18265	14.8
489.19012	14.6
490.19473	2.8
508.20691	0.9
520.20837	25.7
521.21130	4.9
541.24603	12.2
542.25000	2.1
583.25641	10.9
584.25989	2.1
585.23511	28.7
586.23804	5.2
591.11029	0.7
601.26697	7.3
602.26886	1.2
617.26093	30.5
618.26556	7.1
627.24512	25.8
628.24982	5.6
645.25635	100.0
646.25958	23.0
646.34546	0.4
659.27161	14.5
660.27557	2.9
677.28278	31.1
678.28473	6.5
708.41034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36658	1.2
51.43372	1.0
53.52157	1.2
59.01236	3.9
61.70765	1.4
61.98687	1.3
71.01254	2.9
71.51476	2.0
71.57859	1.1
75.77377	1.3
77.04301	1.5
80.04930	2.1
82.02870	2.2
83.04889	3.8
84.91702	1.2
85.02780	1.2
89.66713	1.2
94.02867	40.4
94.06512	2.7
96.04403	3.0
96.95898	8.2
105.05691	1.3
106.06497	1.5
107.03659	8.0
108.04436	2.1
110.06023	1.7
119.04908	2.2
120.08092	13.1
122.06007	43.7
123.06347	1.5
125.02328	7.9
132.04428	1.7
133.02840	1.7
134.06010	5.1
135.04419	6.8
137.02353	2.8
138.05518	17.3
139.02666	3.5
145.02896	1.6
147.04433	1.4
150.05539	2.7
152.07079	100.0
153.07379	4.7
160.03928	2.1
161.02386	7.7
173.04506	1.5
174.05466	1.8
175.03854	2.0
179.03391	10.8
182.01956	1.4
190.04979	2.2
195.06523	2.2
197.04462	2.4
210.07893	1.4
211.12407	2.1
221.04514	1.5
223.08716	12.6
224.09413	6.3
225.10278	3.7
225.16057	1.7
235.12459	1.8
237.10324	16.5
238.11052	8.9
239.11864	17.5
240.12209	2.2
251.08212	3.5
251.11945	10.1
253.09724	1.4
263.08160	3.5
264.09103	6.4
265.09756	5.3
267.11172	1.7
271.10855	5.3
276.09058	2.9
277.09848	2.3
278.10611	2.1
279.11392	26.9
280.11942	5.0
281.09479	1.5
281.12991	3.7
283.10870	3.8
289.07214	1.7
291.06564	2.6
291.11551	6.6
292.12079	2.0
295.10956	4.0
308.32712	1.4
323.10327	5.1
324.11020	2.2
325.11951	3.7
334.15628	3.7
335.05566	7.8
339.07178	2.1
341.08835	3.1
343.12747	2.1
344.03201	2.6
345.04028	4.3
355.13058	4.3
372.17322	2.2
376.16504	2.9
376.20746	2.8
379.08154	2.3
388.16464	1.5
389.17560	3.4
390.18246	1.7
402.18246	27.0
403.18652	5.2
404.19763	5.4
416.20084	2.8
420.19376	1.6
430.17871	1.7
444.19241	13.8
445.19653	3.0
448.18735	30.2
449.19260	5.6
460.18350	2.0
461.19604	2.5
471.18494	1.4
488.18225	9.5
489.18890	9.1
499.22995	2.1
508.21344	3.3
515.12323	2.9
520.20831	17.3
521.21051	3.9
531.61865	1.5
541.24542	6.1
544.23218	1.8
559.25946	1.6
573.28412	1.4
583.25360	2.5
585.23535	12.5
586.24005	2.5
601.26581	1.3
617.26154	42.5
618.26050	7.5
627.24530	10.5
628.24524	2.1
645.25873	17.7
646.25952	4.0
659.27087	20.5
660.27466	4.9
677.28375	48.2
677.49127	18.2
678.28943	12.5
693.14380	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	677.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
57.69292	0.5
59.01247	5.3
61.06790	0.5
61.98702	1.2
67.61272	0.5
69.03326	1.3
71.01247	4.5
73.02776	0.6
74.98946	0.4
75.00739	2.0
81.03332	7.8
81.45789	0.4
83.01241	1.6
83.04897	19.9
85.02828	1.8
87.00734	0.5
89.02295	1.6
90.16405	0.4
92.94267	0.4
93.03339	1.6
95.01250	0.8
96.95887	1.9
97.02798	0.7
98.20601	0.7
99.00743	1.6
101.02302	1.8
107.01258	0.7
108.02058	0.8
108.04459	0.6
109.02830	7.9
111.00774	1.4
113.02316	0.9
117.03371	0.7
119.04903	1.8
120.25095	0.7
120.99487	0.8
121.02843	2.1
121.06440	0.7
123.00742	0.9
123.04388	1.5
124.01587	0.8
125.02342	6.4
125.07076	1.4
126.02670	0.5
131.04903	0.5
132.02039	0.8
133.02824	3.7
134.03587	2.6
135.02876	2.2
135.04414	9.5
137.02345	4.0
139.03969	1.0
143.04984	0.6
145.02850	3.3
146.03589	1.5
147.04420	9.5
148.05208	4.9
149.02293	1.7
149.05988	17.7
150.03099	1.1
150.06262	0.8
151.00336	0.9
151.03865	1.4
154.02232	0.5
159.04449	2.9
160.01541	4.0
160.05115	0.6
161.02348	7.9
161.04507	1.3
161.05974	7.7
162.03075	1.9
163.03902	2.1
163.07487	1.0
165.01852	2.7
165.05479	1.6
167.03409	1.0
169.01321	1.8
171.04439	0.7
172.05272	0.7
173.02408	2.4
173.04567	1.0
173.05956	3.5
174.03091	2.3
175.02798	0.7
175.03926	15.1
175.07549	0.5
176.04732	3.2
177.01837	3.2
177.05470	3.3
178.02586	0.7
179.03419	5.7
179.05502	3.3
180.04106	1.8
182.02234	0.6
185.04510	0.9
185.06012	1.4
187.03925	1.8
188.04700	1.1
189.01865	1.4
189.05484	10.8
190.02618	1.1
191.03368	2.2
191.05487	0.9
191.07036	6.8
193.04985	3.9
195.06587	1.8
197.04504	1.1
199.03900	0.5
200.04619	0.6
201.01897	0.7
203.03349	1.2
203.06999	3.2
205.05023	4.3
207.06544	1.5
207.14934	1.4
215.07054	0.9
217.04994	10.9
218.05237	0.5
219.02948	7.0
221.04431	4.4
224.17622	2.8
225.07616	2.7
225.16042	13.8
229.66780	0.6
231.06546	0.6
235.06036	9.0
236.06540	0.7
237.03944	6.3
238.02095	0.5
242.18579	1.0
245.05992	1.9
246.06711	0.6
247.05995	1.0
251.05598	2.1
251.09271	0.8
255.02864	0.5
259.06033	1.5
261.05682	0.6
263.07083	1.8
268.16708	0.6
271.02621	1.2
273.05447	1.0
277.07224	1.5
279.05081	6.4
281.06689	8.0
281.09677	0.8
285.07742	1.0
289.07321	1.4
291.06573	1.8
293.04480	0.6
295.08194	9.5
296.08762	0.7
299.01974	0.9
299.99124	0.7
300.02676	1.4
300.99884	1.6
301.03214	1.1
303.06744	0.6
307.05920	2.6
315.05090	0.8
323.07669	1.8
324.26517	0.7
333.22861	0.7
335.05484	4.4
336.05878	0.9
337.09320	2.7
339.07181	59.2
340.07614	5.3
341.08624	3.2
341.29224	0.9
345.04025	0.7
349.07101	4.6
367.27008	0.8
377.06723	6.4
378.07108	1.0
385.28470	0.9
407.07675	2.8
409.08939	0.9
433.31741	1.9
437.08792	7.1
438.09143	1.1
450.34445	2.0
451.32880	6.5
469.56897	0.6
479.09720	3.0
483.11185	0.6
501.12354	0.9
525.16089	0.8
550.43597	1.1
559.40021	0.7
575.13934	1.9
593.43878	1.2
597.12854	1.9
614.11810	0.8
617.15137	2.4
659.48706	1.8
676.48071	1.1
677.17401	9.9
677.49664	100.0
678.18243	1.8
678.50146	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	676.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
61.98702	100.0
62.98413	0.2
70.52922	0.1
71.01262	0.6
72.01597	0.1
73.02824	0.2
78.95787	0.1
83.01273	0.1
85.02849	0.3
89.02295	0.1
89.95005	0.1
97.24302	0.1
101.02346	0.4
113.02348	0.2
118.40891	0.1
125.02340	0.1
145.02823	0.1
155.45633	0.1
169.01323	0.1
175.03920	0.8
176.04100	0.1
198.12248	0.1
209.11771	0.2
240.52335	0.1
249.15070	0.1
346.04779	0.2
347.05307	0.4
382.15530	0.1
455.31961	0.1
469.30789	0.2
470.31287	0.1
536.09924	0.1
615.36896	0.3
616.36847	1.4
617.37317	0.2
676.14349	0.6
677.14111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03318	1.4
58.00471	2.7
59.01249	50.3
61.98704	2.9
67.01786	0.4
68.99699	0.7
69.03324	2.7
69.32401	3.7
71.01253	41.4
72.01581	0.9
72.99176	2.9
73.02823	6.7
75.00760	1.3
78.95770	4.8
81.03336	1.6
83.01266	4.1
83.04882	0.7
84.02071	0.4
85.02818	8.9
85.03298	0.6
87.00745	10.3
87.01281	0.5
89.02316	36.6
91.03889	0.8
93.03365	0.5
95.01260	3.0
96.96820	0.5
97.02826	7.4
99.00756	2.7
99.04423	0.6
101.02322	34.0
102.02686	0.8
103.03892	0.5
109.02837	0.6
111.00745	0.9
111.04408	1.1
113.02328	16.6
114.02659	0.4
115.03887	0.7
119.03394	11.3
119.73311	0.3
121.02859	0.4
123.00777	0.5
124.01591	0.5
124.53967	0.3
125.02335	14.1
126.02686	0.5
127.03899	0.5
128.23805	0.3
131.03395	2.9
133.04982	1.1
134.89331	0.8
137.02374	0.5
139.03891	1.2
141.01848	0.9
143.03401	7.2
144.83630	0.4
146.51706	0.4
147.33255	0.4
149.04449	1.2
152.99483	2.6
161.04477	8.0
167.03401	0.8
169.12425	0.4
179.03278	0.5
179.03740	0.4
179.05533	7.6
185.04474	0.6
199.05975	0.7
203.05463	0.5
209.11800	0.7
217.07161	1.1
219.05046	0.6
221.06625	2.7
235.08182	15.5
236.08524	0.5
245.06662	1.3
253.09225	4.0
259.20679	0.7
263.07684	2.1
275.20197	0.9
277.09372	1.1
277.21713	100.0
278.22058	10.0
287.07712	3.2
291.23041	0.7
295.22778	0.7
305.08725	3.7
306.09033	0.5
312.29385	0.4
323.09961	1.8
361.11655	0.6
379.12332	1.3
397.13489	81.1
398.13812	7.4
415.14569	33.3
416.14954	3.1
431.22095	0.6
468.95831	0.5
505.66129	0.4
617.47321	0.4
631.32684	0.5
657.33868	0.6
675.35199	2.4
676.34906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67493	0.5
55.79494	0.5
57.03317	0.9
59.01243	1.9
61.33351	0.5
61.69354	0.5
61.89088	0.5
61.98708	9.8
62.96288	0.5
64.96088	0.6
69.03325	0.7
71.01240	1.0
78.12851	0.5
78.95776	100.0
79.57951	0.5
80.02527	0.7
82.68535	0.5
83.04897	1.6
85.69528	0.5
87.00749	0.5
96.96845	10.5
97.02939	0.5
98.20566	1.6
109.06487	1.7
113.09593	4.2
134.46143	0.5
134.98445	2.4
135.08104	0.6
150.97984	0.7
152.99492	69.3
153.99872	1.3
163.11209	1.4
165.12794	0.9
167.10681	0.6
171.00560	1.3
177.31915	0.5
179.10741	1.0
179.14336	1.0
181.12323	0.6
185.15482	0.6
195.13832	6.1
197.11836	0.6
205.12254	1.9
207.10185	2.0
209.11783	27.2
210.12151	1.9
219.54375	0.6
222.18118	0.5
223.13365	13.1
224.13693	0.9
225.11298	2.2
227.12793	5.5
228.78696	0.5
229.14500	0.6
277.21793	1.4
293.21225	37.9
294.21649	3.8
295.22766	7.5
359.12695	1.9
363.12143	5.7
377.13565	0.6
381.13315	1.5
425.86664	0.6
429.20416	9.2
429.25830	0.8
431.22104	2.5
433.82645	0.6
447.21472	5.1
449.23245	1.1
533.61926	0.5
559.26898	1.4
587.26233	6.8
588.27185	1.5
657.33832	3.8
675.35516	1.8
676.36047	0.8
700.62811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.9
57.03333	1.3
58.00464	2.2
59.01249	49.4
60.01582	0.5
60.99170	0.2
61.98705	0.9
67.01741	0.2
68.99689	0.5
69.03321	2.9
71.01250	44.0
72.01584	0.4
72.99172	3.6
73.02814	7.0
75.00738	0.8
78.95775	3.9
81.03333	2.1
83.01254	5.0
83.01723	0.4
83.04894	0.8
85.02822	9.1
85.99946	0.4
87.00746	10.1
87.04372	0.5
89.02313	35.5
90.02660	0.4
91.03893	0.7
93.03319	0.5
95.01263	3.1
95.04888	0.4
96.96859	0.3
97.02827	7.7
99.00755	2.6
99.04386	0.8
101.02318	34.6
102.02660	0.8
103.00266	0.4
103.03873	0.5
107.04955	0.3
109.02852	0.8
111.00777	1.0
111.04391	1.5
112.01502	0.3
113.02327	17.0
114.02665	0.3
115.03909	0.8
119.03386	11.3
120.03738	0.3
121.02858	0.7
123.00764	0.5
123.04410	0.4
124.01550	0.6
125.02331	14.1
126.02637	0.6
127.03875	0.6
127.07548	0.3
129.01852	0.4
131.03392	1.8
133.04956	1.3
135.04500	0.3
137.02316	0.3
139.03882	0.9
141.01817	0.8
141.05521	0.2
143.03400	6.4
145.04916	0.2
149.02399	0.2
149.04436	1.0
151.03947	0.3
152.99474	2.0
157.05064	0.3
161.04456	7.5
161.94847	0.2
167.03424	1.0
169.04913	0.5
171.02869	0.5
179.03877	0.3
179.05525	7.0
181.04955	0.3
185.04431	0.8
199.06035	0.6
203.05470	0.7
205.12398	0.2
205.19514	0.3
209.11784	0.9
217.07091	1.6
219.05057	0.7
221.06602	3.0
227.05516	0.2
233.22726	0.5
235.08180	15.7
236.08501	0.8
245.06665	1.2
253.09253	3.4
259.20599	0.5
263.07629	1.7
275.19943	0.5
277.09717	1.0
277.21698	100.0
278.22052	10.6
287.07733	3.4
288.08182	0.3
291.23282	0.6
293.21420	0.4
295.22794	0.9
303.06824	0.2
305.08765	4.1
306.08734	0.2
319.22711	0.2
323.09772	2.1
361.11325	1.0
379.12286	1.5
397.13464	80.9
398.13828	7.7
415.14536	35.9
416.14822	3.4
421.84918	0.2
431.22049	0.2
675.35229	1.6
676.35217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52542	0.4
57.03322	1.1
59.01244	1.7
61.98702	10.2
62.96255	0.7
71.49915	0.6
74.41266	0.4
78.44642	0.4
78.95775	100.0
80.02544	1.2
81.03365	1.1
83.04894	4.3
84.02032	0.8
96.96847	11.2
109.06448	1.4
113.09611	3.5
126.02773	0.4
134.89371	0.7
134.98425	1.8
135.08084	0.9
137.00015	0.4
139.11192	0.5
148.45325	0.4
150.97896	0.6
152.99486	69.4
153.99916	1.1
163.11249	2.8
165.12770	2.4
167.10640	0.7
171.00555	1.4
179.10780	0.7
181.12222	0.7
191.10721	0.7
195.13887	4.2
205.12282	1.3
207.10220	1.6
209.11763	58.3
210.12140	3.9
223.13353	7.4
225.11293	1.9
227.12828	10.5
228.13164	1.1
248.70897	0.5
277.21829	0.7
293.21225	25.0
294.21591	2.2
295.22797	4.1
329.68405	0.5
347.93982	0.6
361.10486	1.2
363.12125	20.8
364.12552	2.0
379.11407	0.5
381.13217	7.4
382.13605	0.5
429.20432	3.9
430.20718	0.6
431.21796	1.1
447.21738	2.3
514.27600	0.5
559.26697	1.5
587.26312	8.5
587.34802	0.9
588.26709	0.9
657.34436	3.9
658.34406	1.1
675.34827	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	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.1
75.00733	4.1
80.04924	8.7
85.17229	1.5
92.04925	1.2
94.02855	3.0
94.06472	3.0
96.95902	1.6
104.04907	3.5
106.06486	3.3
107.03632	3.8
108.04414	4.1
119.04894	1.1
120.04405	1.1
120.08045	2.7
122.02378	1.3
122.05138	2.0
122.06002	33.1
123.06324	1.2
124.03947	4.7
125.02338	1.6
132.04417	2.0
134.06026	7.4
135.02902	9.7
135.04413	1.2
136.03938	7.3
137.04694	2.7
138.05447	5.0
147.05492	2.2
148.03885	3.0
150.05501	13.6
152.07076	45.7
152.26550	1.1
153.07401	2.0
160.03926	2.1
161.02243	1.0
162.05414	1.1
165.01904	1.1
170.09718	1.1
174.05469	4.4
175.04999	3.0
179.03345	1.6
186.05421	1.6
186.09265	1.2
186.12688	1.9
190.04971	3.6
201.10280	18.2
209.11766	2.8
211.08679	2.3
213.10271	10.3
214.10577	1.5
217.09741	1.3
223.08618	2.0
224.09406	1.6
225.10135	1.4
226.11122	1.3
227.08148	1.7
227.11836	5.9
229.09772	19.5
229.13379	8.5
230.10025	2.1
237.10289	1.9
239.11862	10.3
241.09674	3.2
245.12904	12.0
247.10892	3.1
249.06783	1.6
249.10202	1.4
253.09030	1.1
255.11401	8.1
257.12857	4.7
264.08878	1.0
265.09778	3.6
267.11267	2.7
269.12909	1.1
273.12375	5.4
279.11340	1.2
281.12836	1.5
285.12329	1.2
289.11823	5.4
295.10843	4.9
296.05344	3.4
297.12335	1.1
301.11923	22.8
309.12469	2.6
313.11969	6.3
314.12640	1.3
316.10779	1.3
319.12976	86.1
320.13400	6.5
323.10333	7.8
325.11835	3.1
327.13419	4.5
328.14432	1.1
330.12503	1.2
331.13989	1.2
339.13339	1.4
346.15701	1.3
355.12912	6.4
358.11722	1.5
359.12616	1.9
360.13272	2.5
372.13412	3.0
373.14609	2.0
374.15002	11.9
375.15277	1.7
384.13239	1.2
386.15427	1.5
388.16483	1.3
391.15302	4.0
392.16147	12.2
393.16565	1.6
400.12772	1.9
403.14886	2.3
416.16068	5.9
418.14120	1.7
433.16321	1.1
434.17242	5.0
439.13867	2.4
446.17059	2.6
525.21332	1.6
531.25952	1.6
539.23022	4.0
540.23456	1.3
555.25952	2.3
557.23993	20.5
558.23907	5.0
581.23962	6.4
582.24530	1.2
583.22156	1.8
599.25110	80.6
600.25311	14.5
601.22504	1.4
602.23901	5.8
603.23993	1.2
615.24951	2.4
643.24048	100.0
644.24323	19.0
675.26617	35.9
676.26843	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	675.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87083	0.6
55.69361	0.7
59.01256	5.7
59.13754	0.7
61.98700	1.3
65.03810	0.7
69.03303	1.2
69.82223	3.6
71.01254	3.0
73.02811	0.8
74.98923	0.8
75.00746	2.8
76.63893	0.7
83.01263	1.8
85.02807	1.1
87.00774	0.7
89.02337	2.2
93.03339	2.8
95.01223	0.7
96.95886	1.7
97.02814	0.9
98.20671	0.6
99.00767	4.5
101.02312	1.5
109.02821	5.5
111.00783	1.3
113.02309	3.4
113.66862	0.7
115.05447	1.0
117.03352	2.5
119.04896	2.2
119.49519	0.7
121.02883	1.0
123.00777	1.2
123.04417	1.3
125.02337	5.8
131.04858	1.0
133.02844	2.9
135.02896	5.3
135.04407	6.2
137.02339	2.0
143.04861	1.1
145.02869	8.0
145.06517	1.7
146.03619	1.3
147.04422	8.3
147.97910	0.7
148.05147	1.9
149.06000	10.9
150.03171	1.0
151.00230	1.0
151.03854	0.8
157.02896	0.9
157.06587	0.7
158.03632	1.3
159.04436	7.4
160.04979	1.0
161.02345	7.4
161.05980	4.7
163.03929	3.9
165.01791	1.3
165.05475	1.6
169.01335	1.1
171.04436	2.9
172.05183	1.0
173.02374	10.7
173.04489	2.4
173.05876	4.6
174.03152	4.3
175.02504	1.3
175.03926	10.9
176.04559	2.0
177.01830	2.7
177.05475	1.8
179.03397	1.9
185.04431	1.3
185.05968	1.0
187.03952	2.8
189.01863	2.4
189.05481	9.1
191.03397	3.4
191.05475	2.2
191.06976	4.6
193.04942	1.9
195.06564	1.8
199.03909	1.8
201.05502	2.2
203.03389	1.7
203.07069	1.6
204.03964	0.7
205.05003	3.1
207.06477	0.7
215.03412	3.5
217.05026	6.5
219.02937	3.1
221.04477	2.8
223.05957	0.8
227.03308	0.9
233.04492	1.1
233.09743	0.9
235.06026	6.9
237.03845	5.0
245.09657	0.8
251.09122	1.0
253.08723	0.9
259.07651	1.6
263.07178	1.0
265.05002	1.3
271.07532	1.9
273.05469	1.0
273.09195	2.2
274.06256	1.7
275.07080	1.4
277.03876	1.0
277.09073	0.9
279.05099	4.0
283.07501	1.3
285.05551	1.3
286.06223	1.0
287.07056	2.0
288.07831	1.5
289.05170	0.8
289.08698	3.0
291.06595	2.2
292.06967	0.8
293.08142	0.8
295.08203	6.3
298.06488	1.0
299.07031	3.2
300.07700	0.8
300.99985	1.0
301.05328	0.8
301.08731	3.2
302.06012	1.2
302.09113	1.1
303.06595	2.9
304.07291	1.2
305.04666	1.0
305.08182	2.2
313.08633	1.2
315.06677	0.9
316.07291	2.0
317.08167	10.9
318.08600	1.6
319.06137	4.8
320.06403	1.1
321.07645	2.2
327.06531	1.1
329.08115	2.0
331.06033	1.9
331.09796	2.8
333.03976	2.0
333.07645	1.5
337.05734	3.9
339.07193	100.0
340.07516	8.9
341.07092	0.8
345.07669	15.2
346.08014	2.2
347.05652	1.8
347.09509	1.5
349.07178	3.2
355.06113	0.9
356.06876	1.0
359.09229	2.9
361.07071	5.1
363.08795	2.2
373.07162	28.9
374.07443	3.6
375.05087	5.9
376.05551	1.2
377.06625	3.0
389.06335	1.3
391.08167	6.4
393.06125	7.4
394.06281	1.1
403.08093	1.1
415.08157	0.8
433.09302	2.4
435.07227	9.3
439.14038	1.6
451.10400	2.2
495.09296	28.3
496.09802	4.2
501.13327	1.1
513.10339	2.0
675.14703	9.2
676.16266	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	673.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.7
57.03317	2.2
58.00449	1.0
59.01250	35.1
61.98701	2.1
69.03316	1.2
71.01251	35.9
71.37528	0.4
71.37859	0.3
72.01573	0.4
72.99191	1.7
73.02818	15.1
74.03155	0.4
75.00742	0.6
81.03331	0.6
83.01259	10.7
83.04899	0.8
84.01599	0.4
85.02824	19.6
85.99966	0.7
86.03130	0.5
86.67676	0.3
87.00747	2.3
87.04419	0.4
89.02312	4.3
95.01260	2.3
97.02840	1.8
99.00761	5.5
99.04398	0.5
101.02319	30.4
102.02661	0.6
103.03910	2.0
109.02866	0.3
111.00723	0.5
113.02327	14.9
119.03384	1.1
125.02341	3.2
129.01794	0.6
143.03427	1.7
145.05003	0.9
159.02945	2.5
161.04466	12.2
163.06027	1.7
165.12811	0.4
171.10202	0.5
175.03897	1.1
183.13745	0.8
185.11726	0.4
199.13309	0.6
209.11780	10.7
210.12096	0.9
211.13257	0.5
221.01068	0.3
226.11472	0.4
227.12845	2.1
229.07137	1.1
235.08188	0.4
237.22960	0.3
247.08224	1.3
253.09241	0.7
307.10266	0.5
362.69571	0.4
467.30109	20.5
468.30447	2.8
511.14050	0.7
611.18018	0.5
613.35895	100.0
614.36176	19.6
657.35394	0.6
673.35028	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	673.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03320	1.6
58.00467	0.5
59.01248	33.4
59.94330	0.4
61.98702	4.9
69.03324	1.0
69.45583	0.9
69.46001	2.4
71.01254	21.3
72.99165	1.1
73.02816	7.2
75.00745	0.9
80.02552	0.9
81.03317	1.2
83.01259	4.3
83.04893	3.9
84.02050	1.0
85.02821	10.6
85.50477	0.4
85.57021	0.4
85.99963	0.6
87.00760	1.4
89.02329	3.5
93.03281	0.9
95.01243	1.5
95.04893	0.8
97.02837	1.0
97.06500	0.3
99.00764	2.9
101.02322	18.9
103.07546	0.4
109.06485	1.2
111.00766	0.4
113.02324	10.0
114.02638	0.5
119.03378	0.6
123.00751	0.5
123.04349	0.5
124.01563	0.6
125.02333	3.5
125.05981	0.6
125.09586	0.5
131.03394	27.4
135.04391	0.8
135.08066	0.9
141.01776	0.5
143.03365	1.2
145.04996	0.4
149.02274	0.5
151.00255	0.5
159.02898	1.4
161.02461	0.5
161.04454	9.3
163.11212	3.7
165.12750	2.6
168.00552	0.7
169.01321	3.2
169.04950	0.4
169.12253	0.6
171.10181	2.0
173.04443	0.5
175.03951	1.4
179.05502	0.7
181.12256	0.8
185.11797	0.4
190.75726	0.4
191.10722	0.7
199.13292	4.4
201.11177	0.5
207.10213	1.5
208.10530	0.9
209.11769	100.0
210.12112	9.1
211.13391	0.5
216.70630	0.4
225.11258	1.3
226.11612	0.7
227.12840	21.8
228.13168	1.1
229.14580	0.6
235.08183	1.8
247.13411	1.2
251.12842	0.5
253.09259	6.9
265.14362	0.6
271.85455	0.4
283.54105	0.4
300.02750	0.7
301.03625	0.5
339.09909	0.6
349.20297	1.1
359.27380	0.7
401.23242	1.1
419.24292	0.8
445.20844	1.6
463.21783	2.5
481.31699	34.0
482.32092	4.8
494.99008	0.4
525.30676	9.1
526.31128	2.1
613.35889	16.7
614.36298	3.1
637.31592	1.8
641.22650	0.9
655.32721	2.2
673.33606	5.0
674.34326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.6
71.01247	1.4
71.27913	0.3
73.02795	0.5
80.02539	0.9
81.03331	0.6
83.01227	0.2
83.04889	3.9
84.02026	0.6
87.00746	0.3
89.02321	1.2
95.04902	0.5
99.61271	0.2
101.02323	1.6
109.06473	0.3
113.02322	0.9
114.15749	0.2
125.05926	0.5
125.09544	0.2
135.08003	0.5
147.11696	0.2
155.44766	0.2
161.04498	0.4
162.92766	0.2
163.11188	3.4
165.12747	2.4
169.01305	0.3
171.10161	2.6
181.12315	0.7
191.10754	0.8
209.11763	100.0
210.12100	5.9
221.11723	0.4
227.12834	12.5
228.13188	0.7
235.08250	1.9
247.13293	1.4
253.09268	5.3
265.14639	0.4
445.20761	0.8
483.21921	0.3
566.42773	0.3
623.24628	0.3
637.32562	0.7
673.33746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
60.29400	0.2
69.03336	0.1
71.01251	1.7
71.27955	0.3
73.02802	0.3
80.02544	0.8
81.03313	0.9
83.01244	0.2
83.04887	4.2
84.02039	0.8
85.02821	0.4
87.00755	0.3
89.02308	1.1
93.03327	0.2
95.01213	0.3
95.04877	0.5
99.00726	0.1
101.02322	1.6
109.06427	0.2
111.20072	0.2
113.02320	0.7
117.77666	0.2
119.03381	0.4
125.02286	0.3
125.05932	0.5
125.09666	0.4
135.08044	0.5
145.05006	0.3
161.04475	0.5
163.11192	3.6
165.12723	1.7
169.23096	0.2
171.10172	2.3
181.12248	0.5
185.11905	0.2
191.10745	0.6
194.44914	0.2
199.13292	0.2
209.11769	100.0
210.12108	6.1
221.11777	0.4
223.13390	0.3
227.12836	13.2
228.13184	1.1
235.08177	1.7
245.36057	0.2
247.13443	1.2
252.13290	0.2
253.09256	5.5
254.09669	0.4
265.14413	0.4
266.54272	0.2
284.61707	0.2
401.23184	0.2
419.24341	0.3
420.24277	0.2
445.20706	0.7
500.74606	0.2
611.30811	0.3
637.32306	0.7
673.33252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
58.00467	1.8
59.01250	16.1
61.98705	16.9
63.70010	1.3
67.01753	1.2
69.03327	3.0
71.01252	43.4
72.01598	1.1
72.89264	1.0
73.02806	4.6
75.46641	1.2
78.95776	51.5
80.02560	1.5
81.03350	2.2
83.01242	2.3
83.04896	7.2
84.02025	1.4
85.02821	4.7
87.00758	3.0
89.02296	5.1
93.03333	1.2
95.01248	1.5
95.04875	1.7
95.12588	1.3
96.96822	4.2
97.02819	4.6
98.19810	2.3
99.00729	2.7
101.02312	12.4
104.41315	1.1
109.06476	10.9
113.02314	6.0
119.03340	1.9
123.08046	1.0
125.02334	1.3
125.09608	3.8
135.08014	2.7
140.98260	1.1
143.03351	1.7
145.05043	1.9
151.11180	1.4
152.99480	28.5
153.12758	1.3
155.10675	1.7
155.14261	1.9
157.01231	1.1
161.04437	3.9
163.11179	10.5
165.12709	3.3
166.13130	1.2
171.10185	11.9
172.49255	1.1
179.05515	1.2
179.10565	1.4
181.12244	6.7
183.13802	9.1
185.11740	4.6
191.05438	1.3
191.10634	1.8
193.12260	2.3
195.13852	3.0
197.11749	2.0
199.09573	1.6
199.13336	26.1
201.11284	9.6
207.10199	30.4
208.10512	2.8
209.11774	97.6
210.12108	8.8
211.13344	100.0
212.13620	4.7
215.12816	2.3
225.11266	22.9
226.11607	1.6
227.12833	77.7
228.13188	4.1
229.14334	3.0
235.08186	6.4
235.13197	1.5
243.12247	2.0
247.13344	2.7
253.09259	15.2
265.14429	2.4
277.21725	1.9
293.21112	8.6
295.22800	8.2
295.69540	1.3
296.23059	1.6
339.23038	1.5
357.24197	1.5
361.10388	2.2
363.12073	4.0
377.09857	2.4
379.11301	1.7
383.22336	2.3
391.24875	2.4
401.23383	7.3
419.24359	3.6
429.20496	2.8
431.21924	2.8
443.19159	2.1
445.20615	1.6
447.21765	4.6
449.23270	1.8
461.20267	6.2
463.21854	12.6
637.32416	7.0
655.33331	14.9
656.33655	3.2
673.33911	45.1
674.34503	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	673.3358
Annotation	Gypsin B
Peak:m/z	Relative Intensity
57.08736	0.6
59.01248	4.0
61.98703	8.0
62.96278	0.8
64.15475	0.7
68.32719	0.8
70.61415	2.3
71.01250	3.3
73.02808	2.3
78.95772	100.0
80.02546	0.7
81.03329	0.9
83.04871	3.9
85.02801	1.2
89.02312	1.0
95.04916	0.8
96.96835	8.4
97.02827	0.9
101.02314	1.4
109.06493	1.9
111.08052	2.9
125.02302	1.5
125.09560	1.2
126.04294	0.8
134.98369	1.7
140.92355	0.7
150.97913	0.8
152.99478	56.8
153.12880	0.8
155.10741	0.8
163.11162	3.7
165.01875	0.9
165.12735	2.0
167.10754	0.9
169.12262	2.3
171.00670	0.8
171.10159	5.9
174.03146	1.1
175.03900	1.6
181.12270	2.6
183.13774	0.7
195.13831	1.1
197.11739	17.0
199.13312	1.6
201.11247	1.3
207.10222	1.7
209.11754	58.6
210.12108	3.9
211.13341	5.4
215.12796	1.3
223.13383	1.5
225.11287	4.3
227.12837	12.0
228.13341	0.9
245.47563	0.7
253.09315	1.7
283.10852	0.8
291.19684	2.5
293.21277	5.1
309.20651	5.6
319.23044	1.5
361.10818	1.1
363.12164	14.8
364.12677	1.0
379.11563	6.4
381.13135	3.4
397.12790	1.2
419.24353	0.7
429.20245	1.8
445.13974	1.5
445.19949	19.7
446.20264	2.3
447.21790	1.2
463.21106	6.9
464.21640	0.9
655.32922	2.8
673.33630	50.5
674.33875	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	673.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03843	0.3
51.04073	0.3
59.01240	0.8
69.27660	2.7
71.01251	0.4
75.00728	0.3
85.73114	0.3
91.07934	0.3
99.44093	0.3
102.66504	0.3
104.23004	0.3
117.03358	1.8
125.02338	0.9
135.02885	0.6
137.92256	0.4
145.02853	2.2
152.01062	0.3
160.01526	0.6
161.02345	18.4
162.02678	0.9
163.03967	1.8
169.01376	0.7
173.02327	4.0
174.03084	1.9
175.03874	1.2
183.02985	0.4
183.04457	3.6
185.02345	0.4
187.03911	1.8
189.01872	0.6
204.16158	0.4
209.11717	0.5
211.03992	1.0
215.03551	0.6
227.03375	0.5
257.06149	0.6
258.06915	0.4
259.07767	0.3
261.05542	0.5
271.02496	1.0
272.02829	0.4
273.05484	0.8
274.06378	1.0
275.07104	2.1
285.05591	4.2
286.06284	0.8
300.03006	0.9
301.05301	3.4
302.05927	2.0
303.06604	12.1
304.06976	1.2
313.05023	1.1
315.06714	0.6
318.05472	0.4
319.06091	2.7
320.06390	0.4
328.03571	0.5
329.04535	74.4
330.05191	30.1
331.06049	14.3
332.06329	1.9
337.09363	0.4
341.04486	0.8
342.05344	4.7
343.06076	7.1
344.06589	1.2
345.03940	0.5
346.04834	2.6
347.05576	100.0
348.06299	72.9
349.06888	12.5
350.07428	0.7
355.06161	0.7
358.04938	1.2
359.05615	3.4
360.06372	12.7
361.07132	16.6
362.07373	1.5
373.07181	2.9
391.08276	0.8
418.16199	0.3
449.27319	0.4
493.11331	1.9
494.11533	0.4
509.10782	1.1
510.11649	51.2
511.12369	58.9
512.12744	8.0
523.12354	2.8
610.12836	1.5
673.17877	0.6
673.37988	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	673.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40086	1.7
55.02918	2.2
59.01248	19.1
61.98707	17.9
71.01243	10.6
71.04688	4.7
72.99184	4.8
73.02839	2.4
75.00748	6.8
76.82114	1.9
78.95760	1.9
83.01255	8.1
83.21986	2.1
85.02824	5.3
87.00729	3.1
89.02290	3.8
93.03330	7.4
95.01276	2.7
99.00748	8.2
101.02309	4.6
103.05486	2.1
108.02051	3.1
109.02852	14.6
111.00725	4.4
113.02335	4.8
115.00288	8.3
117.03361	4.2
119.04906	7.5
121.02795	3.5
123.00744	3.0
123.04404	8.9
124.52373	1.9
125.02316	26.3
133.02827	6.0
133.06462	12.1
135.02916	12.3
135.04425	12.8
137.02318	9.1
139.00299	2.9
139.03888	2.6
145.02873	25.3
147.04442	13.4
148.05215	4.3
149.02307	4.8
149.05983	50.3
150.03142	3.8
150.06255	3.0
151.00256	5.5
151.03922	4.5
152.07065	2.3
153.01808	2.8
157.02829	3.6
158.03648	5.2
159.04402	14.5
161.02339	20.3
161.05978	3.7
163.03886	13.3
165.01842	5.6
165.05452	4.0
167.03305	2.5
169.01401	12.3
173.02350	26.7
174.03111	8.6
175.02505	3.2
175.03941	21.0
175.07578	2.5
177.01830	10.4
179.03374	6.3
183.02893	3.7
187.03900	4.8
188.04581	3.3
189.01816	7.9
189.05504	4.0
190.02699	2.6
191.03392	7.0
193.04988	10.7
203.03392	2.8
203.07054	2.8
205.04974	3.1
209.11777	2.5
217.05019	3.1
219.02936	22.8
227.03503	2.2
227.12752	2.5
233.04446	6.5
233.09677	8.0
235.07695	2.4
237.03873	34.3
240.14200	2.0
245.06050	3.8
246.06407	2.3
249.09175	2.5
259.07553	8.3
260.08221	2.5
261.05621	3.4
261.09250	3.7
263.07205	4.9
274.06244	3.2
275.05942	6.4
277.03494	11.1
277.08597	17.0
278.09015	2.8
287.07086	8.9
289.07233	7.6
291.06558	6.5
292.07019	2.5
293.06683	9.3
299.07025	3.3
300.99728	6.0
301.03250	3.6
303.06592	4.4
304.07306	3.1
305.08191	27.7
306.08530	2.6
311.07849	4.1
315.06641	2.1
319.05029	12.5
320.06619	2.7
321.07629	11.9
330.05396	4.0
331.06119	13.5
333.07574	4.9
337.05569	100.0
338.06033	6.8
347.05371	5.2
348.06400	2.5
349.07159	35.1
350.07327	3.9
357.07861	3.0
359.05417	4.6
361.06934	4.1
375.05240	3.2
375.27307	2.6
376.27298	2.5
385.32980	2.1
387.08789	6.9
389.06772	3.3
393.06152	76.2
394.06461	9.0
403.08365	3.1
407.07721	3.7
425.08868	2.7
431.07782	10.7
433.05627	10.0
447.07275	5.2
449.08752	5.3
467.03864	4.1
475.06668	33.1
476.07025	5.1
493.07635	32.9
494.08099	3.9
511.16000	5.6
573.12445	3.7
655.13104	13.8
673.12109	19.5
673.23438	5.3
673.32489	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	671.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
59.01249	17.7
61.98700	39.3
69.03343	2.1
71.01250	10.3
71.51920	1.7
72.99179	1.1
73.02811	3.9
81.03336	2.1
83.01244	3.5
83.04902	3.3
85.02822	5.6
87.00737	2.0
88.98673	2.3
89.02310	5.0
93.03312	3.8
95.01274	3.1
95.04849	1.5
96.95900	3.5
97.02818	3.9
97.06495	1.3
99.00726	1.5
99.04373	1.3
101.02346	6.2
106.04134	1.4
107.01305	1.5
107.04890	2.2
108.02051	36.6
109.02847	26.0
109.06496	5.7
110.03114	1.4
111.00758	1.4
113.02322	6.3
115.07428	1.1
119.03415	1.1
119.52736	1.1
121.02869	1.9
123.00773	3.0
123.04401	30.6
124.01539	2.5
124.04760	1.6
125.02352	15.5
125.09591	1.8
135.04417	4.0
135.08075	3.4
136.05165	3.0
137.02307	3.9
137.05977	1.9
138.01833	1.3
139.03920	1.6
140.01070	2.8
149.05943	6.8
150.03140	2.0
150.06767	68.7
151.00298	1.5
151.03888	2.3
151.07167	3.0
152.01059	33.4
152.04765	1.3
153.01854	16.7
153.05464	37.1
154.05707	1.5
155.03377	2.8
161.02295	1.5
161.04407	1.9
161.09602	2.0
163.03893	1.5
163.07552	16.5
163.11195	7.7
164.08322	13.9
165.01839	4.0
165.05444	2.5
168.00523	1.8
169.01331	16.8
171.10182	2.5
173.04485	2.2
174.03139	3.5
174.61696	1.2
175.03886	5.1
176.08392	1.3
177.09053	1.7
178.09891	2.5
179.10692	37.4
180.11078	1.4
185.11740	1.7
199.04047	1.3
207.10193	23.1
208.10579	1.5
209.11769	40.3
210.12091	2.1
225.11264	20.0
226.11607	1.8
227.03456	2.1
227.12840	8.0
233.06133	1.4
235.08264	2.2
253.09282	5.5
255.02939	2.0
297.12091	1.9
299.22321	12.6
299.99207	1.8
300.99832	3.2
301.03207	2.1
311.22348	3.1
311.98410	1.3
313.23639	2.0
315.01666	1.3
315.07208	3.7
315.10590	1.6
317.04721	1.2
321.20728	1.5
324.02722	2.3
325.03464	2.1
329.23227	3.5
330.03577	2.4
334.05283	1.4
339.25452	1.4
345.04062	2.0
346.04651	3.1
347.05292	2.2
355.24710	3.8
357.08197	4.1
357.11969	5.5
357.26254	1.9
373.25677	2.1
375.27402	1.4
399.21579	1.3
407.14438	1.3
414.50385	1.2
432.32474	2.1
435.31110	2.8
447.34827	3.4
461.20282	5.6
461.33017	6.4
464.30673	1.5
473.32687	2.9
477.09915	2.2
478.32843	2.3
479.33820	12.0
480.34061	2.1
491.33603	12.6
492.34140	1.6
508.33795	6.3
509.34756	14.1
510.35153	2.2
527.28400	1.7
627.23499	1.8
635.30988	2.2
653.31494	5.5
654.32080	2.0
671.15369	4.6
671.19342	3.3
671.31616	42.3
671.40070	100.0
672.32269	10.5
672.40533	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	671.4011
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03307	0.9
59.01249	4.2
61.98700	9.2
70.83932	1.2
71.01245	2.5
73.02817	1.3
81.03323	0.7
83.04879	0.5
85.02808	2.3
87.00752	0.9
89.02332	1.1
95.04902	0.9
96.95865	0.5
97.02819	0.5
99.04393	0.7
101.02322	1.8
102.95269	0.4
107.01281	0.6
108.02051	3.4
109.02844	0.8
109.06467	1.4
111.04426	0.8
111.40681	0.4
113.02325	1.6
117.79764	0.5
121.02807	0.6
122.03606	0.9
123.00767	1.2
123.04399	6.9
125.02335	2.7
125.09624	0.8
127.11140	0.6
135.04395	0.7
135.08034	1.0
136.05222	0.9
137.02357	1.1
137.09583	0.7
138.53200	0.4
139.03915	2.3
141.01746	0.4
149.02298	0.8
149.06000	5.3
150.06764	42.8
151.00267	1.2
151.03891	0.8
151.07176	2.2
152.01033	5.3
153.01712	0.4
153.05482	6.7
161.02327	1.1
161.09633	1.3
162.06729	0.9
163.07552	11.4
163.11238	1.7
164.08327	5.1
167.03383	11.9
167.04715	0.7
169.01323	4.1
169.04996	2.0
169.13663	0.4
171.10204	0.8
174.03169	0.5
175.03897	0.8
176.08351	2.3
177.09111	0.9
178.09883	3.4
179.10695	14.0
180.10988	1.0
189.09102	0.5
190.77194	0.4
191.05553	1.6
207.10229	4.0
208.10632	0.5
209.11765	9.7
225.11267	5.7
227.12872	1.6
251.12961	0.5
253.09196	1.2
265.21713	0.9
278.06229	0.5
285.21030	0.4
313.05670	0.5
324.02682	0.5
327.25433	1.0
329.23352	6.1
331.06161	0.6
345.03842	0.9
346.04645	2.2
347.05630	1.4
357.11905	0.9
359.28140	1.5
372.49396	0.5
373.26193	0.5
392.39819	0.4
430.30945	1.3
445.33459	0.6
448.31836	8.5
449.32272	1.3
461.20340	1.3
462.33600	1.5
463.34244	11.2
464.34790	1.6
473.33014	0.8
490.32828	2.7
491.33884	3.3
492.33798	0.6
508.33981	3.5
509.10626	0.7
509.34778	29.1
510.11725	0.7
510.35397	4.7
635.30585	0.9
653.31458	1.0
671.40308	100.0
672.40729	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	671.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83065	0.5
52.95654	0.5
57.03315	0.7
59.01232	1.8
61.98702	1.6
69.17830	2.7
69.18251	3.4
81.41534	0.6
85.02817	0.8
87.00740	1.0
89.02272	0.7
93.03339	0.8
108.02045	2.2
109.02842	2.5
111.08054	0.6
121.06501	1.0
123.04400	0.8
123.08031	1.0
135.04387	1.1
136.05205	30.2
137.02350	1.0
137.05537	0.7
137.09674	1.1
149.05971	6.8
149.09621	0.9
150.05623	0.9
150.06769	11.3
151.07343	0.7
152.01050	3.5
153.01820	1.6
155.10678	0.9
161.02405	0.5
162.06752	0.6
163.07549	1.4
164.08356	3.2
165.09125	33.7
166.09441	1.8
171.10088	0.7
173.06155	0.7
189.20222	0.6
195.86368	0.5
207.10182	1.0
209.11789	1.5
222.03200	1.1
250.02650	1.1
253.05066	0.8
264.17221	0.8
274.15607	0.8
278.02200	2.1
279.02911	1.4
292.16772	1.4
307.02505	2.0
307.19144	2.0
324.02765	11.4
325.03506	8.7
336.19348	0.7
343.21326	6.4
445.29642	1.0
448.28137	1.1
463.30710	12.1
464.30927	1.8
487.08978	1.6
491.30374	3.4
492.30798	0.9
508.30597	2.3
509.31171	34.3
510.31592	5.5
671.20728	6.5
671.36481	100.0
672.20087	1.3
672.36877	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	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99641	0.9
53.53660	0.9
55.01757	2.2
57.03321	3.4
58.00440	1.1
59.01252	21.5
61.37553	0.8
61.98701	17.1
69.03323	2.1
71.01249	39.9
71.04905	1.0
71.51629	1.3
72.99168	2.2
73.02815	14.0
78.95772	1.8
80.02539	1.5
81.03316	2.6
83.01252	7.6
83.04895	8.1
84.02045	1.9
85.02824	16.3
86.62096	0.8
87.00759	2.5
89.02309	11.1
92.67294	0.9
93.03339	1.9
95.01234	3.4
95.04897	2.6
96.95889	3.3
97.02835	7.8
97.06433	1.6
99.00739	7.3
99.04394	1.3
101.02325	30.4
108.02068	1.2
109.02843	1.6
109.06475	17.2
110.03625	1.1
111.04382	1.9
113.02329	14.0
115.03927	1.1
119.03347	1.8
121.02816	1.2
123.04422	1.6
124.01582	1.5
125.02327	9.2
125.09593	2.7
131.03377	2.2
134.03622	1.0
135.04388	1.6
135.08067	3.1
137.02344	1.2
139.00273	1.2
143.03412	2.0
145.04982	1.1
149.99524	1.0
152.01141	1.1
153.01743	1.0
153.05489	1.4
159.02908	2.9
159.04228	1.0
161.02321	1.4
161.04456	10.3
161.09572	1.6
163.11203	13.7
165.05435	1.2
165.12721	2.6
167.03383	2.8
168.00603	2.3
169.01337	3.2
169.05104	1.4
171.10188	4.0
172.10626	0.8
174.03145	1.8
175.03926	6.8
177.01862	1.7
179.07002	0.9
181.12274	4.2
185.11740	1.9
185.15643	0.9
187.09616	1.3
189.01872	2.5
191.05432	1.0
191.10696	1.5
197.11760	1.9
199.13435	1.4
201.11339	1.0
207.10205	44.1
208.10495	2.5
209.11763	79.7
210.12135	8.7
211.13301	2.8
217.01196	1.2
223.13315	3.3
224.13768	3.1
225.11266	34.7
226.11606	2.3
227.12839	12.9
228.13202	1.2
233.06604	1.3
235.08153	3.3
245.08173	1.0
253.09207	9.0
263.12833	1.3
293.08826	1.2
293.65106	1.0
299.15051	1.1
300.99789	1.0
345.03836	2.2
346.04587	3.4
347.05231	1.3
361.16592	2.1
389.23260	1.1
399.21729	3.2
417.22833	3.8
443.19098	2.4
461.20474	9.1
462.20343	1.6
471.34897	3.7
479.30362	6.1
480.30713	1.4
523.28986	2.9
609.44604	1.1
611.34314	100.0
612.34650	20.6
635.30646	6.9
636.30487	1.3
653.31525	11.2
654.32220	2.3
671.14960	2.0
671.32336	25.6
672.33331	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	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59174	0.4
53.16222	0.5
54.46985	0.4
54.95446	0.4
55.01770	2.2
57.03324	1.7
58.00470	1.0
59.01248	34.0
60.35207	0.5
61.98700	9.3
66.92046	0.5
69.03326	1.2
71.01250	24.5
71.22206	0.9
72.01591	0.9
72.99171	1.2
73.02819	8.7
73.64072	0.5
74.98975	1.3
75.00746	0.8
80.02554	2.0
81.03322	3.6
83.01254	4.5
83.04889	8.1
84.02042	1.6
85.02821	13.4
87.00747	2.8
89.02324	6.1
93.03353	2.1
95.01273	2.0
95.04917	1.6
97.02827	5.2
97.06499	1.1
99.00761	4.8
99.04421	0.6
101.02317	22.8
102.02691	0.5
107.04941	0.8
108.02052	1.1
109.02808	1.3
109.06472	18.5
110.03631	1.4
111.00777	1.6
111.04399	1.1
111.08022	0.6
113.02332	11.1
119.03410	1.1
120.05739	0.5
120.99494	0.6
121.02888	0.6
121.06470	2.0
122.03619	1.2
123.04424	3.2
123.08055	0.7
124.01579	0.6
125.02302	2.5
125.05946	0.7
125.09613	2.8
129.01794	0.6
131.03392	21.1
135.04402	1.0
135.08064	2.2
136.05215	1.3
136.98994	0.7
137.02353	0.8
139.00252	0.7
142.02599	1.4
143.03432	1.5
145.04910	0.9
149.02344	1.0
149.09636	0.5
152.01083	0.5
159.02901	1.8
161.04465	11.2
161.09665	1.4
163.09833	0.9
163.11201	16.4
163.12520	1.0
164.11522	1.3
165.09102	0.7
165.12750	3.3
168.00545	1.0
169.01353	1.4
170.24274	0.5
171.10173	4.3
174.02998	0.5
175.03900	2.6
179.10767	0.6
181.12283	3.8
185.11742	2.6
187.09680	0.8
189.09178	1.2
191.10690	1.6
199.13315	0.6
201.11240	1.5
207.10202	51.7
208.10512	4.0
209.11769	100.0
210.12117	6.8
211.13312	0.7
217.12346	0.7
221.11771	1.1
223.13310	0.7
225.11269	27.5
226.11624	1.7
227.12852	13.0
228.13240	0.6
231.10179	0.9
235.08183	3.3
235.13315	1.2
243.12308	0.7
245.11877	0.8
247.13319	1.4
249.11316	1.5
253.09259	7.8
263.12952	1.1
265.14551	0.8
283.45496	0.5
285.52853	0.6
299.14755	0.6
345.03897	0.8
346.04761	1.2
347.05176	0.5
357.26053	0.6
398.31573	0.5
399.21774	5.3
400.22049	0.8
405.17484	0.7
417.22809	5.5
435.23871	0.7
443.19183	2.5
445.20688	0.7
461.14374	0.8
461.20267	8.7
462.20605	1.0
479.30090	35.9
480.30524	5.7
485.20386	0.6
499.22000	0.6
523.29004	8.7
524.29120	1.9
611.24762	0.9
611.34381	13.3
612.34412	2.2
625.31598	0.7
635.30536	8.4
636.31268	2.5
653.20557	0.6
653.31665	11.6
654.31702	1.7
671.15710	0.9
671.32605	23.8
672.32764	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	671.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
57.03321	1.2
58.00478	0.8
59.01247	15.9
61.98690	3.7
63.47240	0.5
65.03835	0.5
69.03344	1.0
69.21982	5.1
71.01251	11.4
71.04884	0.5
73.02821	2.0
80.02547	1.7
81.03322	4.5
83.01264	2.4
83.04897	7.1
84.02036	1.9
85.02823	4.9
87.00742	1.6
89.02337	3.8
93.03336	2.4
95.04879	1.5
97.02832	6.5
97.06462	1.1
99.00754	2.0
101.02316	8.5
109.02850	0.8
109.06472	21.5
110.03609	1.4
110.06847	0.7
111.04417	0.9
113.02328	5.6
119.03366	1.4
120.99516	4.0
121.06503	1.5
123.04405	1.8
123.08008	1.0
125.02339	1.6
125.05923	0.6
125.09614	1.9
131.03398	4.5
133.06459	0.7
135.04414	0.7
135.08080	4.0
136.05205	0.8
136.44841	0.5
141.01863	0.6
142.02606	1.1
143.03346	0.6
145.04941	0.6
145.10092	0.9
148.93581	0.6
159.02887	0.8
161.04478	3.6
161.09622	1.5
163.09822	1.0
163.11185	17.9
164.11511	1.0
165.12762	2.6
168.00555	1.2
171.10210	3.4
175.03909	2.0
175.05499	0.8
179.05434	0.8
181.12253	3.8
185.11804	3.0
187.09671	0.8
189.09180	1.5
191.10748	1.5
201.11224	1.2
207.10190	63.9
208.10513	4.0
209.11757	100.0
210.12093	6.2
216.51617	0.6
217.12332	0.7
221.11711	1.4
223.13379	1.4
225.11261	30.5
226.11603	2.4
227.12833	11.3
228.13086	0.7
231.10211	1.2
235.08208	3.1
235.13205	1.3
245.11853	0.8
247.13350	1.1
249.11229	1.1
253.06718	1.1
253.09247	11.2
254.09654	0.7
263.12802	1.3
265.14450	1.8
299.15015	1.3
373.24069	0.8
389.23087	0.9
399.21741	6.5
400.22058	0.7
417.22800	6.2
435.23663	1.0
443.19345	3.8
444.19333	0.7
461.20203	11.4
462.20276	1.3
473.36380	3.0
479.30103	9.4
480.30518	0.9
485.20126	0.7
513.71295	0.6
523.29034	1.9
611.34265	3.0
625.33081	0.7
627.29987	1.1
635.30774	9.7
636.30743	3.3
653.31763	14.3
654.32196	3.4
671.32648	25.8
672.32867	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	671.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58997	0.5
59.01236	1.7
61.43906	0.4
61.98708	2.1
69.39139	1.6
69.39576	2.1
71.01253	1.0
73.02831	0.6
81.22525	0.5
85.02832	0.5
89.02288	0.6
93.03333	0.9
96.95929	0.5
97.06435	0.4
98.19830	1.0
101.02384	0.5
108.02048	1.4
109.02841	1.0
117.88636	0.4
120.99564	0.4
123.04408	0.5
123.08053	0.7
125.02316	1.1
135.04359	0.5
136.05203	3.8
137.02367	0.6
149.05974	0.9
150.06784	2.2
151.03795	0.6
152.01082	1.2
153.01892	0.5
164.08406	0.5
165.01836	1.2
165.09111	4.0
183.04474	1.5
196.05171	0.8
197.06015	1.0
209.05943	0.7
209.11751	0.9
211.03912	1.6
212.04749	0.8
222.03181	9.7
223.03819	1.2
224.04674	1.3
225.05452	3.0
235.03995	1.9
237.05437	0.9
239.03476	2.6
240.04189	3.8
250.02666	12.7
251.03337	2.5
252.04198	1.2
253.05035	3.6
254.02425	0.5
263.03473	1.7
267.02875	1.5
268.03653	1.7
278.02182	16.3
278.05237	1.0
279.02884	8.2
280.03629	1.7
281.04471	3.1
295.02490	2.0
296.03143	2.5
297.03720	0.6
306.01620	1.7
307.02451	16.1
308.03168	2.8
315.05090	1.8
323.01938	2.3
324.02722	100.0
325.03448	73.0
326.03799	6.2
335.01926	1.4
343.21323	1.0
346.04922	0.5
463.30463	0.8
487.08810	20.3
488.09067	2.7
509.31024	4.5
510.32520	0.6
671.19794	60.0
671.36206	16.7
672.20197	12.0
672.36682	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	671.1984
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.14699	0.6
57.03324	1.5
58.02847	0.7
59.01248	5.0
61.98701	5.1
65.00198	0.8
67.01741	1.9
68.99694	0.6
69.03307	1.7
71.00152	1.0
71.00468	0.9
71.01247	6.2
71.65783	0.5
72.99178	1.2
73.02825	1.7
75.00726	1.5
79.01774	1.2
81.03315	0.8
83.01261	1.4
85.02808	2.2
87.00761	1.3
88.98655	1.2
89.02289	1.1
93.03331	2.3
95.01275	2.9
96.95877	1.8
97.02831	1.7
101.02322	5.9
102.01810	1.2
107.01268	13.2
109.02834	4.5
111.00751	2.7
111.04402	0.7
113.02334	2.2
115.00241	1.3
119.03448	0.9
119.04925	1.0
121.02812	2.0
123.00773	14.3
123.04404	2.0
124.01550	1.5
125.02332	65.6
126.02666	2.5
127.00234	0.9
133.02893	1.0
134.03693	0.7
135.02856	1.6
135.04449	4.9
136.01549	12.7
136.98721	1.8
137.02394	3.1
137.05969	0.7
139.00270	4.8
139.03886	1.5
140.01036	3.4
141.01828	1.2
145.02885	1.4
146.03610	0.8
149.02356	1.0
149.06042	0.7
150.03043	0.8
151.00275	10.6
151.03920	12.7
152.01027	2.2
153.01830	1.9
159.04427	1.5
160.01549	1.0
161.02364	4.1
162.02966	0.7
163.03897	1.4
165.01837	1.3
166.99789	0.7
167.03348	1.7
168.00545	4.9
169.01332	69.8
170.01694	3.9
173.04468	1.9
173.05922	1.0
175.03812	1.5
176.04625	1.2
177.01820	1.6
177.05444	0.9
178.99789	3.0
179.03427	2.3
181.04951	1.7
183.02925	5.0
187.03929	4.9
189.01976	0.7
190.02568	0.8
191.05484	2.1
191.07024	1.0
192.00455	0.6
193.04938	0.7
195.02888	0.9
195.06650	1.1
199.03790	1.0
203.03439	0.7
211.02412	1.7
213.01834	2.6
231.02917	0.8
241.03458	0.8
255.10257	2.8
261.05539	1.3
271.02484	1.6
274.05035	0.7
279.06534	1.3
284.03183	0.7
287.14941	1.0
289.04971	1.9
291.06586	2.4
297.06180	1.1
300.02606	1.0
300.99872	1.1
301.03387	1.6
303.05069	0.7
306.05316	1.2
307.06082	8.4
308.06622	1.3
309.04404	0.7
309.07672	1.4
310.43463	0.7
313.05640	18.0
313.11050	1.5
314.06070	1.0
317.04422	1.3
327.07248	2.2
327.12296	1.9
333.06171	1.9
335.05490	20.9
336.05920	2.7
343.11783	0.7
357.13373	0.8
375.27429	2.4
387.07272	4.0
463.08902	0.8
492.77216	0.7
495.09702	0.8
509.10944	4.5
510.10791	1.1
653.18774	0.6
671.19775	100.0
672.20154	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	671.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.5
61.98706	14.7
69.77261	1.0
71.01250	6.1
71.51525	1.1
73.02808	1.5
76.20785	1.1
78.95760	1.6
81.03311	1.5
83.04894	3.9
85.02824	2.9
87.00755	1.8
88.98682	1.3
89.02315	2.7
90.98331	1.1
93.03327	1.1
95.04869	1.4
96.95918	1.4
97.02822	2.1
98.06870	1.1
99.00793	1.4
101.02315	3.7
106.99905	0.9
108.02055	2.9
109.02839	54.5
109.06474	4.9
113.02333	1.7
123.04411	1.7
125.02354	1.4
125.09671	2.1
135.08032	1.1
136.44818	0.9
137.02348	2.4
149.02467	1.2
149.05959	1.7
150.06752	5.6
161.04459	1.9
163.07530	1.4
163.11183	5.6
167.03387	4.4
171.10196	3.8
174.03136	3.4
175.03934	15.5
179.10593	2.1
181.12195	1.0
183.72725	1.1
189.01898	2.1
207.10201	17.4
209.11757	37.2
210.12096	3.2
211.13309	1.3
223.13300	2.8
225.11284	13.6
227.12860	6.1
228.13092	1.4
253.09306	2.9
274.18143	1.1
338.05811	3.3
339.06519	14.2
340.07355	18.4
341.07458	2.0
346.04861	1.5
367.06110	43.3
368.06705	5.9
399.08728	100.0
400.09116	14.5
417.22574	2.1
436.09149	1.3
461.20184	2.2
463.34109	1.4
471.34576	1.5
479.34021	1.9
508.10995	1.9
508.33685	1.6
509.12418	62.2
509.34561	2.3
510.12582	10.9
635.30841	3.6
653.31873	6.0
671.15436	2.6
671.31934	9.1
671.40161	12.2
672.32654	1.2
703.22382	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	671.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.5
61.98706	14.7
69.77261	1.0
71.01250	6.1
71.51525	1.1
73.02808	1.5
76.20785	1.1
78.95760	1.6
81.03311	1.5
83.04894	3.9
85.02824	2.9
87.00755	1.8
88.98682	1.3
89.02315	2.7
90.98331	1.1
93.03327	1.1
95.04869	1.4
96.95918	1.4
97.02822	2.1
98.06870	1.1
99.00793	1.4
101.02315	3.7
106.99905	0.9
108.02055	2.9
109.02839	54.5
109.06474	4.9
113.02333	1.7
123.04411	1.7
125.02354	1.4
125.09671	2.1
135.08032	1.1
136.44818	0.9
137.02348	2.4
149.02467	1.2
149.05959	1.7
150.06752	5.6
161.04459	1.9
163.07530	1.4
163.11183	5.6
167.03387	4.4
171.10196	3.8
174.03136	3.4
175.03934	15.5
179.10593	2.1
181.12195	1.0
183.72725	1.1
189.01898	2.1
207.10201	17.4
209.11757	37.2
210.12096	3.2
211.13309	1.3
223.13300	2.8
225.11284	13.6
227.12860	6.1
228.13092	1.4
253.09306	2.9
274.18143	1.1
338.05811	3.3
339.06519	14.2
340.07355	18.4
341.07458	2.0
346.04861	1.5
367.06110	43.3
368.06705	5.9
399.08728	100.0
400.09116	14.5
417.22574	2.1
436.09149	1.3
461.20184	2.2
463.34109	1.4
471.34576	1.5
479.34021	1.9
508.10995	1.9
508.33685	1.6
509.12418	62.2
509.34561	2.3
510.12582	10.9
635.30841	3.6
653.31873	6.0
671.15436	2.6
671.31934	9.1
671.40161	12.2
672.32654	1.2
703.22382	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	671.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88654	0.2
55.34652	0.2
59.01248	0.8
62.80084	0.2
63.42129	0.3
63.58379	0.2
69.33009	1.0
69.33447	1.2
71.01245	0.9
75.00752	0.6
84.97356	0.2
89.02342	0.7
90.40666	0.2
93.03348	0.5
95.01250	0.3
101.02326	0.3
109.02876	0.3
113.02328	0.5
117.03352	0.9
119.03369	0.3
121.02882	0.3
123.04454	0.3
125.02334	0.7
133.02837	0.4
135.04420	0.3
137.02361	0.3
145.02837	1.3
150.03070	0.3
151.03902	0.3
158.03632	0.4
159.04410	1.8
160.01544	1.1
161.02332	1.9
161.09735	0.3
163.03928	0.6
167.03407	0.5
169.01462	0.4
171.04446	0.3
173.02345	6.3
174.02954	0.9
175.03886	0.4
179.05554	0.3
183.04420	0.3
185.02338	0.5
187.03912	0.6
189.01881	0.4
191.03452	0.4
191.05460	0.4
199.03915	0.7
211.03896	0.5
213.83232	0.3
227.18102	0.2
233.06010	0.4
235.04063	0.3
236.04744	0.5
237.05334	0.4
245.06064	0.5
248.04733	1.1
249.05411	0.4
251.03380	0.7
253.04926	0.3
257.06003	0.8
261.05447	1.0
262.06250	0.3
263.03552	1.3
263.06949	0.4
264.04218	3.3
265.04843	0.3
269.05890	0.4
272.04779	0.4
273.05548	7.2
274.06241	1.6
275.04004	0.2
275.07007	1.3
276.04218	1.2
276.07208	0.4
277.05054	3.9
278.05539	0.8
284.04541	0.3
285.05591	3.2
286.06281	1.0
287.06845	0.3
287.14484	0.3
288.04276	0.5
289.04959	2.1
290.05789	0.8
291.06735	1.2
293.04462	1.1
300.04214	1.6
300.99728	0.7
301.05032	12.0
302.05692	5.6
303.02948	2.1
303.06564	3.8
304.03409	0.4
306.05322	0.3
313.05069	1.5
314.05814	0.6
315.06577	0.4
316.03769	0.6
317.04523	4.9
317.08197	0.3
318.05286	4.3
319.06079	8.4
320.06415	0.7
328.03793	2.8
329.04529	42.1
330.05029	6.8
331.06027	2.6
332.06754	0.5
341.04489	0.7
343.06039	0.3
344.03098	0.6
345.04013	13.5
346.00208	0.3
346.04773	32.2
347.05560	100.0
348.05923	9.9
355.05966	0.3
357.04065	1.0
359.05447	2.2
360.06250	0.5
361.07175	0.9
371.05878	0.4
375.05319	0.4
377.06442	0.4
388.05765	0.5
389.06671	3.3
390.06934	0.4
401.06491	1.1
425.72211	0.3
480.10065	0.3
481.11237	1.9
482.12024	0.3
491.09891	1.2
508.10107	13.6
509.10828	33.8
510.11215	3.9
551.11920	1.1
671.16125	32.8
672.16547	6.6
672.27838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.1
60.01577	0.7
61.01675	0.8
61.98700	100.0
71.01266	0.3
71.05793	0.3
78.95774	1.0
79.95612	0.3
80.96397	0.5
88.98683	0.2
92.22449	0.2
96.96860	0.2
108.42645	0.2
125.02346	0.6
128.24017	0.2
137.02361	0.4
151.03856	0.2
152.99529	0.5
161.02324	0.3
171.10181	0.2
223.13377	0.3
225.40331	0.1
255.23219	0.3
289.07330	0.4
416.95099	0.2
430.00647	0.2
512.71783	0.2
582.73322	0.2
634.39014	0.2
670.45947	0.3
671.33722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3854
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03318	1.4
59.01240	2.6
61.98697	5.3
65.18462	0.3
69.26313	1.0
69.26731	2.2
71.01244	1.9
73.02824	0.8
76.81601	0.3
80.22786	0.3
83.04902	0.3
85.02824	1.4
87.00739	0.8
88.55004	0.3
89.02321	0.6
95.01254	0.4
97.02793	0.3
99.04420	0.7
101.02318	0.9
107.01293	0.8
108.02026	3.0
109.02864	0.6
111.04414	0.4
111.08022	0.4
113.02365	0.6
113.05991	1.0
118.33077	0.3
119.03439	0.3
123.00778	1.6
123.04422	2.6
125.02338	3.3
135.08064	0.7
136.05202	1.0
137.04243	0.4
137.05998	0.6
145.02856	0.4
149.05971	6.9
150.06764	54.1
151.00243	0.7
151.07095	2.1
152.01036	5.0
152.02199	0.5
153.01848	0.4
153.09138	0.4
157.08618	1.1
161.02350	0.4
161.04366	0.7
161.09641	1.0
162.06752	0.5
163.07552	11.8
164.08336	8.6
165.08978	0.7
167.03394	10.1
168.00540	0.5
168.03751	0.5
169.01324	3.7
169.05069	0.5
169.12276	0.4
171.10179	0.9
175.03882	0.6
176.08337	1.8
177.09065	1.0
178.09872	3.8
179.10681	17.0
180.10966	0.5
185.11845	0.4
186.90558	0.4
193.08707	0.4
207.10361	0.4
209.11810	0.7
215.44380	0.4
263.20190	0.7
271.02505	0.5
279.23392	0.7
281.21207	1.0
283.19022	0.5
301.03503	0.4
303.67831	0.3
325.23868	1.4
326.24323	0.4
327.21762	8.1
327.25256	0.4
328.22147	0.7
355.24927	1.1
357.26511	1.5
428.29367	1.3
443.31595	0.9
444.32373	0.7
445.06888	0.5
446.30344	10.2
447.30606	2.0
460.31964	1.7
461.32675	13.1
462.33167	2.2
463.08270	0.4
488.31503	2.4
489.32159	3.4
490.32520	0.4
491.33801	0.4
506.32394	3.3
507.33209	34.0
508.33539	5.8
549.34393	0.6
669.38708	100.0
670.39044	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	669.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68099	0.5
56.00258	0.5
57.03315	1.5
58.20117	0.5
59.01252	6.1
61.98699	11.3
65.00201	0.6
71.01251	5.2
71.04913	0.6
71.31940	1.3
72.99182	0.7
73.02832	2.6
81.03320	0.7
83.01270	0.9
85.02836	2.1
87.00759	1.1
88.98682	1.3
89.02341	1.4
93.03369	1.1
95.04922	0.7
96.95937	0.6
97.02832	0.7
99.00753	0.8
101.02309	2.9
107.01289	0.7
107.04900	1.5
108.02080	3.1
109.02849	2.6
109.06493	1.0
113.02345	2.0
115.80476	0.5
119.03430	0.6
119.04948	0.7
121.02841	1.2
122.03642	6.2
123.00771	1.2
123.04430	7.0
125.02347	2.3
125.09643	1.2
127.07584	0.6
135.04417	1.2
135.08057	1.0
136.05203	1.2
137.02371	2.1
137.05934	0.6
138.01840	0.7
139.03891	0.7
141.12811	0.8
145.02946	0.7
147.04428	4.5
149.02361	1.7
149.05974	6.6
150.03169	2.6
150.06769	65.3
151.00311	1.1
151.03932	1.2
151.07109	3.9
152.01103	2.0
153.01897	1.1
153.05516	2.2
161.02463	0.7
161.04454	1.7
161.09644	0.9
162.06819	1.5
163.07558	12.8
164.08344	9.6
165.01909	0.7
165.05536	1.9
165.08739	1.2
167.03398	0.8
169.01410	2.4
169.04921	0.7
171.10181	0.6
175.03923	1.3
176.08369	1.2
177.01736	0.6
177.09195	1.5
178.09929	1.9
179.07114	0.9
179.10695	25.4
180.11053	1.6
185.11720	0.7
190.02753	0.8
191.05579	1.1
195.06525	1.0
209.11783	3.0
211.13370	0.6
251.19847	0.6
280.43835	0.6
285.09833	1.3
295.22873	1.7
297.20731	10.0
298.21127	1.1
300.02728	0.7
309.11984	1.2
309.20813	1.7
311.22409	0.8
325.03763	0.9
327.21881	1.3
327.25568	1.7
345.03839	1.2
351.22061	0.8
355.25162	0.9
357.26453	24.4
358.26877	2.6
373.26224	1.1
415.28629	2.0
430.30975	2.3
431.31100	0.7
445.33441	2.3
447.31558	0.7
459.31262	4.0
460.32104	0.8
462.30191	1.7
471.31335	1.3
476.31689	2.0
477.32260	11.7
488.31500	1.3
489.32153	7.9
490.32706	1.1
506.32339	4.4
507.33276	12.7
508.33804	1.6
531.33368	1.5
639.38452	0.8
651.38544	1.2
669.38824	100.0
670.15112	0.9
670.39105	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	669.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.3
59.01247	13.3
60.99171	1.8
61.98703	38.4
69.03339	1.4
69.71109	2.1
69.71519	4.0
71.01246	9.1
71.04916	1.1
72.99188	1.0
73.02830	4.0
73.24200	0.9
75.00759	1.6
78.95805	2.8
83.01275	2.3
83.04942	1.1
85.02809	6.4
87.00761	2.1
88.98679	8.6
89.02316	5.6
93.03374	3.5
95.01294	2.2
95.04898	1.3
96.95889	1.4
98.20450	1.3
99.00790	3.0
99.04421	1.3
101.02338	6.9
105.29163	1.0
106.71484	1.0
107.04938	3.0
108.02061	6.0
109.02850	5.2
111.08064	1.2
113.02386	3.1
113.26492	0.9
114.98075	1.1
119.03444	1.8
119.04984	1.2
121.02892	1.9
121.06513	1.0
122.03701	2.6
123.04408	10.4
125.02335	7.9
125.09643	1.2
128.02039	1.0
131.03453	1.9
134.03714	1.1
135.04475	3.8
136.61578	1.0
137.02336	4.9
138.01880	0.9
145.02924	1.6
149.02388	2.5
149.05994	5.6
150.03198	2.5
150.06775	44.5
151.00301	1.0
151.03957	4.4
151.07249	2.0
152.01025	5.9
152.03435	1.1
153.01895	3.5
153.05566	2.9
155.10609	0.9
159.02924	1.2
161.02408	3.1
161.04485	2.6
163.07571	11.9
164.04715	1.4
164.08353	7.5
165.01938	2.7
165.05565	2.5
167.03415	9.3
168.00636	1.1
169.01306	5.4
169.12170	1.1
171.10254	1.9
175.03967	3.2
176.08427	1.3
177.01927	1.6
178.09941	4.7
179.10680	13.2
179.11981	1.1
191.05582	1.8
207.10332	1.7
209.11824	5.8
223.09846	1.6
223.13440	2.7
225.11374	1.7
250.02798	1.1
271.02521	1.5
286.42526	1.0
289.07367	1.3
293.08667	1.4
300.02979	3.2
301.00266	1.2
324.02942	3.7
325.03812	4.1
325.23990	2.0
327.21881	9.6
331.06015	1.4
355.25244	1.5
357.26511	10.2
358.27087	1.9
373.26151	3.6
428.29742	1.6
445.07050	1.6
446.07599	1.5
446.30099	6.1
447.31128	2.3
461.32657	11.4
462.32947	1.0
463.08493	1.9
477.28751	1.8
488.31491	2.0
489.32504	3.9
506.32733	4.9
507.33334	29.5
508.33438	6.0
609.10876	2.4
651.30188	1.5
669.13983	9.0
669.39081	100.0
670.13434	2.5
670.39691	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	669.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66165	0.3
59.01247	7.1
60.99180	0.5
61.98705	2.3
67.45100	0.3
69.03352	0.4
71.01253	0.8
75.00737	1.7
78.95773	12.4
90.41563	0.3
90.93215	0.3
96.96815	0.9
98.20692	0.7
111.08020	0.6
117.03352	1.0
127.60457	0.4
145.02859	4.9
152.99489	7.9
167.10709	0.6
169.01265	0.5
175.03882	0.8
179.14278	0.5
185.53325	0.4
195.13841	1.0
197.02179	0.8
197.11722	2.6
197.93643	0.4
205.12262	0.9
207.10417	0.4
209.11760	1.2
211.13318	0.6
223.13339	9.9
293.21072	0.5
301.03290	0.4
309.20660	1.8
315.02399	0.4
329.23248	1.7
359.12643	3.3
371.19910	0.4
377.13571	1.0
425.34085	0.7
445.19937	3.8
446.20187	0.7
453.33655	1.0
463.20889	1.4
471.34756	100.0
472.35135	15.5
487.34259	0.5
633.37848	4.6
634.38708	0.7
669.33936	5.0
670.34375	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	669.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	1.7
59.01467	0.9
61.98584	2.5
61.98928	1.2
70.86280	1.1
70.86640	1.0
71.01157	1.0
71.01492	0.6
73.02732	0.6
74.48797	0.6
75.39201	0.5
78.95663	0.8
83.04809	0.5
89.02232	0.7
98.62607	0.5
101.02201	0.7
111.23267	0.5
113.02264	0.6
117.94948	0.5
121.02708	0.6
123.04256	1.2
167.03203	2.4
174.10210	0.6
175.03752	1.1
195.63345	0.6
197.02135	8.9
199.13081	0.8
205.12073	0.9
209.11784	8.0
210.11996	1.0
223.09612	0.8
223.13351	5.7
227.12630	2.0
235.08054	1.1
253.09109	1.1
300.02643	1.1
300.99683	0.5
395.17828	0.6
471.34772	100.0
472.35138	16.6
667.90283	0.6
669.13501	1.0
669.38110	24.1
670.38129	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	669.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
61.98689	2.4
64.38447	0.5
71.01238	1.8
81.03318	0.8
84.44022	0.6
85.02790	1.4
89.02316	0.6
93.03367	0.6
95.01270	1.0
95.04971	0.6
98.20547	1.9
101.02314	1.2
107.04895	0.5
108.02050	14.1
109.02850	9.0
116.92757	0.9
123.04373	1.1
125.02351	0.6
135.04401	0.8
137.02338	0.8
140.80949	0.5
140.93677	0.6
151.03880	0.7
152.01064	14.0
153.01848	6.2
161.02327	0.7
163.03871	0.8
165.01807	0.6
169.01353	0.7
175.03946	0.8
183.04390	1.6
191.05356	0.6
196.05209	1.4
197.06070	0.8
207.04402	1.0
209.06122	1.0
209.11836	0.9
211.03920	0.7
212.04698	1.2
222.03171	10.8
223.03819	2.1
224.04723	1.9
225.05563	3.4
235.03944	2.1
237.05589	0.7
239.03438	2.2
240.04163	4.0
250.02679	13.1
251.03316	2.5
252.04266	2.4
253.04990	5.7
263.03516	1.9
267.02979	1.8
268.03812	1.6
269.04431	0.6
271.02350	0.6
278.02182	20.5
279.02908	9.2
280.03580	2.0
281.04507	3.1
295.02441	2.3
296.03308	2.4
297.03922	1.1
300.02588	0.9
306.01566	1.9
307.02466	17.0
308.03067	2.1
313.23691	1.0
323.01895	2.3
324.02719	100.0
325.03464	81.5
326.03842	6.9
335.01822	1.1
357.26416	0.8
359.27786	0.6
371.24173	4.1
373.25980	0.7
475.09415	0.6
487.08768	31.6
488.09039	4.4
551.80237	0.6
669.18201	60.9
669.31195	27.1
670.18597	14.7
670.31616	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67572	0.2
55.01737	0.3
57.03310	0.7
58.00471	0.4
59.00953	0.4
59.01246	5.3
61.98699	0.4
69.03320	2.2
70.99577	0.2
70.99913	0.4
71.01244	4.2
71.04891	0.8
72.99175	0.3
73.02812	0.9
80.02515	1.3
80.86388	0.2
81.03323	1.3
83.01256	0.6
83.04890	4.7
84.02038	0.9
85.02806	1.1
85.06450	0.7
86.95983	0.2
87.00748	1.2
87.05854	0.2
89.02324	2.4
92.10540	0.2
93.03345	0.5
95.04881	0.9
97.02839	0.2
97.06444	0.4
101.02319	3.9
109.06452	0.8
111.07990	0.3
113.02318	2.2
113.05956	0.2
119.03402	0.5
123.08025	0.4
125.02328	0.3
125.05983	0.4
125.09605	0.7
131.03395	0.2
135.08038	0.7
135.11668	0.3
141.09117	0.5
141.51556	0.2
143.03423	0.4
145.04999	0.5
148.44284	0.2
149.09630	0.7
153.09079	0.3
161.04471	1.5
161.13168	0.3
163.11191	3.2
165.12756	2.5
167.10690	3.2
171.10179	2.2
177.12704	0.5
179.05540	0.7
179.10727	1.5
179.14314	3.3
181.12244	0.8
191.10732	1.2
195.13829	10.3
196.14136	0.4
205.12273	10.3
206.12631	0.7
209.11763	97.1
210.12085	6.4
223.13336	100.0
224.11563	0.4
224.13673	5.6
227.12828	15.8
228.13179	0.9
235.08224	4.0
236.08450	0.3
244.69363	0.2
253.09245	11.6
254.09674	0.5
261.14944	2.5
278.39221	0.2
282.53964	0.3
415.24722	0.7
441.21216	0.9
445.20856	1.3
459.22321	9.4
460.22775	1.1
471.34628	0.2
584.54211	0.2
633.32764	1.3
651.33728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66046	0.7
53.95944	0.8
54.03929	0.8
54.04877	0.8
59.01248	8.8
61.98698	31.9
69.03322	1.2
71.01244	5.6
71.50421	1.4
72.99186	0.7
73.02779	0.9
78.95316	1.1
78.95774	15.5
79.94208	0.8
83.04877	1.6
85.02808	1.7
87.00748	1.5
88.98631	1.0
89.02296	1.5
90.07876	0.9
93.76360	0.7
95.49131	0.9
97.72595	0.8
101.02319	1.8
109.02831	1.1
113.02334	2.3
119.03387	0.8
123.04369	1.6
125.02307	3.3
125.09634	1.2
135.04344	1.0
137.02283	1.5
137.05925	1.3
150.03102	0.8
151.00250	1.1
153.09084	0.9
163.11165	1.1
165.05469	1.9
167.03406	1.9
167.10649	1.3
169.01273	2.4
171.00583	4.6
171.10178	1.1
175.03896	3.1
179.05463	1.0
179.10571	0.9
195.13799	1.7
197.02191	1.4
199.13368	1.4
205.12274	3.0
207.10245	1.2
209.11787	15.4
223.09799	1.1
223.13356	18.6
225.11298	1.8
226.11513	0.9
227.12837	10.9
235.08174	1.5
253.09161	2.7
255.03052	1.3
271.02319	1.3
285.05609	1.2
300.02753	1.6
300.99832	2.0
313.05069	3.5
314.05737	1.4
315.06604	1.3
315.19577	5.9
373.08569	1.5
389.08035	0.9
391.09714	1.6
401.08102	1.6
419.09354	1.4
429.07578	1.9
430.08234	1.8
431.09259	1.3
433.06882	4.4
444.11404	0.9
446.07779	1.4
447.09174	1.6
449.10220	0.9
457.07053	1.1
459.22479	1.5
460.09378	1.2
463.08063	1.1
469.33270	2.0
471.34967	15.0
475.07764	1.5
488.08978	4.1
489.09720	19.3
490.10104	3.5
505.08868	1.8
506.10037	100.0
507.10614	38.3
507.18250	1.3
507.29794	1.7
508.11096	3.6
545.54303	1.0
651.31561	2.4
668.39563	7.2
669.16040	56.9
669.38391	8.8
670.16223	9.1
670.26440	1.0
699.24384	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	669.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80870	0.3
63.02266	1.2
63.93760	0.3
65.00191	2.0
66.68830	0.3
67.11434	0.3
69.32632	0.8
69.33028	3.0
83.01242	1.4
91.01736	0.4
95.01257	0.3
107.01273	3.5
108.02075	2.2
109.02836	1.7
121.02854	1.9
135.00755	1.1
148.01532	1.8
149.02263	0.8
150.03203	0.4
151.00273	12.2
163.00261	2.7
164.01015	0.9
165.01808	0.5
169.01389	0.5
171.04446	0.5
174.03282	0.4
175.00227	0.5
175.03917	0.8
176.01039	1.2
177.01657	0.4
178.99779	5.6
183.04465	0.6
187.03949	0.6
188.04509	0.3
190.02562	0.8
190.99788	0.8
191.03392	1.4
192.00548	0.8
198.03230	0.6
199.03857	1.9
203.03363	0.4
205.05031	0.8
211.03929	1.6
215.03407	1.3
216.04184	1.0
226.02652	2.4
227.03433	3.4
228.03902	0.4
229.01469	0.4
229.05032	0.7
234.34488	0.3
243.02942	15.6
244.03485	1.4
245.04338	0.8
254.02252	2.6
255.02957	34.7
256.03336	3.0
271.02460	76.4
272.02936	7.8
273.03979	1.5
283.02380	1.1
299.01990	4.6
300.02722	100.0
301.03442	34.2
302.03787	2.0
314.04352	1.5
315.05130	5.3
316.05487	0.4
339.06961	0.5
353.08615	1.9
357.97043	0.4
408.98291	0.3
445.07819	0.5
455.85504	0.4
463.08804	46.5
464.09109	5.5
477.10260	3.9
647.32416	0.4
669.14581	39.4
670.14789	7.7
691.10840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01591	0.9
61.98706	0.8
71.01254	0.4
71.04937	0.2
71.05256	0.4
78.95789	0.4
85.02830	0.5
89.02328	0.3
101.02367	0.4
121.02819	0.3
128.36378	0.2
131.03429	0.6
171.10176	4.2
172.10666	0.3
223.32800	0.2
269.24847	0.4
277.21707	3.0
278.21994	0.3
397.13699	0.4
607.42279	2.6
608.42297	0.4
625.31732	0.3
658.78064	0.3
667.29907	1.3
667.44153	4.8
668.45270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36316	0.4
51.67734	0.4
53.73481	0.4
59.01240	0.6
63.02271	1.0
63.94054	0.4
65.00194	1.8
74.24858	0.4
83.01255	1.4
90.77538	0.4
91.01758	0.8
96.95898	0.6
107.01265	3.4
108.02049	1.7
109.02856	1.5
109.37104	0.4
111.00844	0.4
119.01310	0.6
121.02834	2.4
123.00925	0.4
125.02348	0.5
131.40077	0.4
135.00763	1.2
143.96812	0.5
147.00818	0.5
147.04485	0.6
148.01561	1.4
149.02332	0.8
151.00270	12.3
152.00894	0.7
163.00250	2.4
163.45532	0.5
164.01065	0.7
165.01808	1.1
166.02733	0.6
169.01266	0.7
174.03072	0.7
175.00345	0.7
175.03909	0.6
176.01053	1.1
177.01811	0.5
178.99788	5.9
181.04962	1.8
183.04498	0.6
189.25320	0.4
190.02623	1.3
190.99736	0.7
191.03430	2.1
198.11057	0.4
199.03960	1.3
201.01875	0.5
201.05453	0.8
203.03438	0.7
205.04939	0.8
209.04515	0.5
211.03975	1.2
215.03351	0.8
216.04300	0.8
218.05789	0.8
226.02672	1.8
227.03421	4.5
228.03944	0.6
229.05086	1.1
233.08261	0.7
243.02960	12.4
244.03662	1.0
245.04546	1.4
254.02246	2.6
255.02980	28.6
256.03348	3.2
271.02478	63.1
272.02921	6.9
273.04004	1.2
283.02356	1.4
299.01993	3.4
300.02737	100.0
301.03458	48.5
302.03995	2.8
313.11401	1.3
314.04337	1.3
315.05109	4.7
343.04395	0.8
351.96017	0.5
353.08746	1.6
359.21460	0.4
373.25967	2.7
415.13840	0.6
445.07700	0.6
447.16678	0.9
463.08820	48.6
464.09164	5.5
477.10446	4.8
478.09848	0.6
498.07047	0.5
669.14606	55.6
670.14886	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	667.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01247	100.0
60.01590	1.0
61.98708	1.2
71.01254	2.7
71.04895	0.3
73.02815	0.7
78.95774	6.0
78.96220	0.4
83.04881	0.3
85.02827	1.1
87.00775	0.4
87.04454	0.2
89.02316	0.5
96.96850	0.4
101.02351	0.6
107.04914	0.4
109.06468	0.4
113.02352	0.3
118.94597	0.3
121.02863	0.6
123.04460	0.3
131.03368	1.8
135.04443	0.6
136.31946	0.3
152.99489	3.5
167.10719	0.4
174.03464	0.3
179.14285	0.3
181.04892	0.5
195.13867	1.0
205.12303	0.7
223.13332	6.2
223.15356	0.4
224.13680	3.1
225.11469	0.6
225.13985	1.1
289.18048	1.6
307.53928	0.3
335.33011	0.3
336.61972	0.3
357.14700	0.3
359.12796	1.5
375.28992	7.6
375.33337	0.5
376.29504	0.8
377.13840	0.6
443.18161	1.6
461.23029	0.3
475.37820	0.5
478.25858	0.4
487.34430	0.6
507.33084	1.3
551.32288	1.8
552.33215	0.5
607.42126	2.7
667.32782	2.0
667.44568	4.9
668.33685	0.6
668.45221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65686	0.2
57.33091	0.1
57.96229	0.1
59.01250	100.0
60.01586	1.0
61.98700	0.4
64.82837	0.1
66.86899	0.1
71.01251	0.7
78.95816	0.2
85.02840	0.4
87.00771	0.3
98.20650	0.3
101.02351	0.2
110.53384	0.2
125.02402	0.2
128.28860	0.2
131.03413	0.3
171.10179	0.5
178.01659	0.2
207.10263	0.2
223.13293	0.7
229.39240	0.3
229.41312	0.2
273.50104	0.2
293.21301	0.6
330.09830	0.2
607.41730	0.8
651.41931	0.2
667.33368	0.3
667.44366	4.8
668.44568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
58.00449	0.7
59.01249	15.1
61.98702	19.9
71.01249	15.1
71.50740	0.9
72.99173	1.2
75.00728	0.7
77.71187	0.5
78.95767	0.7
83.01212	0.7
83.54345	0.5
84.30682	0.6
85.02814	2.0
87.00735	1.5
89.02315	17.6
94.28230	0.6
95.01246	0.6
97.02834	0.8
101.02315	7.8
109.02836	1.0
109.06466	1.2
113.02314	4.2
119.03378	2.7
121.02815	1.9
125.02319	1.7
131.03397	1.4
135.02789	0.5
135.04323	0.9
137.02318	0.8
143.03386	1.6
149.04477	1.3
157.02719	0.5
161.02357	1.6
161.04436	2.4
163.11166	1.2
179.05522	10.7
181.12215	0.6
185.11751	0.7
195.13873	0.9
205.12224	0.8
207.10196	5.1
223.13326	6.3
225.11259	5.1
235.07962	1.0
277.79922	0.6
299.02078	0.6
310.59348	0.6
329.04703	0.8
330.05127	1.0
332.58569	0.6
403.10529	0.7
409.31235	1.2
412.58957	0.6
413.23566	0.9
461.20169	1.3
469.33179	0.9
486.07513	1.9
487.08200	1.8
487.34265	100.0
488.34628	17.1
504.01730	1.0
504.08490	9.5
505.09073	2.4
517.09509	0.8
528.32831	0.6
649.31989	1.0
667.14966	3.6
667.32727	2.7
668.14825	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	667.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57848	0.2
55.87556	0.3
57.35655	0.2
59.01249	100.0
60.01586	1.0
61.98709	2.8
66.06626	0.2
69.21678	1.5
69.22101	1.1
70.70916	0.2
70.71325	0.3
71.01273	0.9
75.79037	0.2
78.95760	1.5
79.04968	0.3
79.05410	0.4
93.03349	0.3
107.04897	1.2
109.02898	0.4
121.02860	0.4
123.04462	0.3
125.05979	0.8
131.03357	0.3
137.02292	0.4
151.03889	1.6
152.99500	0.8
171.10182	0.4
181.22498	0.3
207.10185	0.4
223.13359	0.9
253.21533	0.2
443.18405	0.4
453.33722	2.3
454.34180	0.5
471.35043	1.1
607.42126	0.6
623.39600	0.6
667.45355	4.8
668.44836	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	667.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31625	0.5
57.47043	0.6
59.01252	5.4
61.98701	12.1
61.99016	0.9
64.04538	0.4
69.03342	0.7
71.01245	2.6
72.99174	0.8
73.02835	0.7
78.95783	0.7
85.02832	0.6
89.02346	1.5
93.03333	0.9
95.01230	0.5
96.95883	0.5
101.02341	1.7
109.02816	0.7
113.02331	1.3
117.03407	0.6
119.03321	0.8
119.04944	0.9
123.04396	0.9
125.02340	1.4
125.09534	0.6
131.04877	0.5
133.02884	0.7
135.02866	1.1
137.02347	0.6
145.02826	1.2
160.01659	0.7
161.02342	16.2
161.04422	0.8
163.03932	1.7
163.11189	0.6
165.05492	1.7
167.03493	0.8
169.01352	0.8
171.10170	3.7
174.03143	1.2
175.03934	2.1
177.12761	0.5
187.03706	0.6
189.01906	1.0
195.13870	0.6
201.11305	0.6
207.10239	0.8
209.11739	4.2
221.11763	3.3
223.13219	2.3
225.11281	1.9
235.08177	0.6
239.12878	1.4
253.09247	1.2
259.13443	0.9
277.14502	0.7
285.05530	1.2
294.02444	0.5
300.02444	0.6
301.05231	0.6
302.05890	1.2
303.06586	1.0
313.05096	1.2
314.05804	1.1
329.04520	5.6
330.05319	11.2
331.05954	5.5
339.25369	0.6
341.04541	0.6
342.05258	4.3
342.27356	0.6
343.06009	1.5
343.28220	0.5
355.06146	1.1
357.26556	1.7
413.08047	1.3
414.09073	1.0
415.09830	1.3
429.07629	1.1
431.09183	0.6
431.24667	0.9
441.07669	1.7
442.08560	1.8
443.09158	3.1
457.07278	1.6
458.07718	2.0
459.08588	3.6
460.09225	1.2
469.07114	2.1
469.33142	1.7
470.07895	2.0
485.06400	3.1
486.07446	19.0
487.08167	18.8
487.34500	0.8
488.08401	2.5
502.07013	0.7
503.07736	2.4
504.08505	100.0
505.08914	20.1
505.32007	0.8
516.97668	0.5
517.09204	12.9
518.09454	1.7
607.38654	0.7
649.32446	1.9
666.38165	1.6
667.14545	47.3
667.33948	5.0
668.14862	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	665.3908
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
55.01749	0.4
58.00458	0.8
59.01250	13.7
61.98698	2.9
69.26389	0.4
69.77747	0.4
71.01251	15.6
71.04887	1.1
71.50330	0.8
72.99194	0.6
78.95766	0.5
83.01251	0.6
85.02805	1.5
85.23657	0.4
87.00731	0.7
89.02316	20.6
95.01285	0.7
101.02323	5.8
106.49568	0.5
113.02335	4.3
119.03393	4.1
121.02831	0.6
131.03392	1.5
134.44054	0.4
143.03435	2.3
149.04419	1.3
161.02379	0.6
161.04472	2.8
179.05515	11.2
209.11830	0.9
268.99115	0.4
298.18896	0.5
301.00003	0.5
391.30038	1.4
439.31793	0.8
455.31927	0.7
485.32724	100.0
486.33118	15.4
665.37616	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	666.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
59.01244	7.4
61.98701	85.3
68.99677	1.0
71.01248	7.7
71.51238	1.4
72.99167	1.4
73.02820	1.9
73.17693	0.9
78.95750	1.7
82.00510	1.0
85.02812	2.2
87.00737	3.0
88.98661	1.6
89.02305	2.8
96.95864	4.8
98.95480	2.1
99.00755	84.9
100.01085	1.5
101.02305	3.8
108.02045	2.3
109.02826	1.3
111.00760	1.3
113.02318	2.8
117.03346	1.2
119.03422	0.8
119.04893	6.6
122.03661	1.0
123.00800	1.0
123.04391	3.6
125.02328	3.1
135.04413	1.3
136.69173	0.8
145.02815	2.0
149.02296	2.7
152.01056	2.4
153.01753	1.0
153.05493	1.1
157.02722	0.9
159.02898	52.1
160.01576	1.0
160.03214	1.2
161.02367	5.4
161.04358	1.3
161.17586	1.0
163.03943	5.8
164.04419	0.9
165.05434	1.0
167.03391	2.0
169.01285	2.1
169.02663	1.0
173.02304	1.2
174.03076	2.1
175.03931	5.0
176.04222	1.2
179.03445	1.4
193.04990	1.1
196.03967	1.1
209.11740	2.6
212.03450	3.6
213.04063	1.7
239.02304	1.2
240.02975	3.0
241.03784	3.9
251.07036	1.0
268.02496	2.1
269.03168	4.3
270.03989	1.5
272.09888	1.0
275.64703	1.0
285.05511	1.2
286.06198	1.8
300.06595	1.1
300.99774	1.5
301.04999	1.6
302.05811	2.7
303.06631	3.5
312.06732	1.2
314.05496	1.0
317.04443	1.3
328.06329	1.0
329.04391	6.8
330.05298	51.9
331.02164	1.6
331.05991	22.4
332.06589	2.8
336.49640	0.9
340.06027	3.2
341.26828	3.0
343.04865	12.4
344.05655	12.5
345.06967	2.9
355.24844	1.9
356.05554	4.0
357.06262	3.2
358.07120	2.6
361.04254	0.9
368.05698	1.7
369.06558	1.1
370.99493	0.9
375.27707	1.2
397.05853	1.1
413.05872	1.4
415.06927	1.1
425.05585	0.9
443.06613	4.1
444.07077	1.1
445.96045	0.9
447.18570	1.1
481.05151	1.0
503.08578	24.4
503.33768	4.0
504.09369	7.1
504.33731	2.4
552.32678	1.0
606.12305	5.8
607.12628	1.1
665.38629	4.3
666.14606	100.0
667.14917	19.7
667.28339	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	665.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60548	0.1
55.88408	0.1
57.03321	0.6
58.00476	0.2
59.01244	4.3
61.98683	0.3
67.01698	0.1
69.03326	2.4
71.01246	2.8
71.04891	0.6
71.06728	0.2
71.07070	0.2
72.99165	0.3
73.02820	0.6
73.72520	0.1
81.03342	0.1
81.14236	0.1
83.01260	0.5
83.04886	0.4
85.02834	0.6
85.06442	0.5
87.00739	0.8
89.02316	1.8
93.03319	0.5
95.01263	0.2
95.04897	0.5
97.06472	0.2
99.00746	0.2
101.02322	2.1
102.02747	0.1
107.04884	0.1
108.05698	0.2
109.06462	0.4
111.08038	0.2
113.02328	1.4
117.03334	0.1
119.03362	0.3
121.02877	0.1
123.08025	0.2
125.02374	0.2
125.09614	0.5
129.01927	0.1
131.03375	0.2
133.07173	0.1
135.11642	0.3
141.09138	0.2
143.03366	0.3
145.04955	0.3
149.09671	0.7
161.02222	0.1
161.04459	1.0
161.13274	0.5
167.10678	3.4
177.12714	0.6
179.05536	0.4
179.10719	1.4
179.14322	3.6
180.14626	0.2
187.11133	0.3
195.13831	10.7
196.14195	0.6
205.12273	10.6
206.12650	0.7
223.13339	100.0
224.13676	6.7
235.08173	2.5
235.10420	0.2
253.09248	6.3
254.09511	0.3
349.25067	0.2
359.22134	0.1
367.26495	0.3
385.23862	0.3
393.24097	0.2
403.24487	0.1
411.25287	1.1
412.25934	0.1
429.26404	1.3
441.21347	1.5
442.21683	0.2
459.22321	10.2
460.22659	1.4
590.11481	0.1
595.30981	0.2
621.32904	0.3
628.15100	0.1
647.34637	0.9
648.34485	0.2
665.26923	0.2
665.36212	1.2
666.36426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1904
Annotation	Dicerandrol A
Peak:m/z	Relative Intensity
54.80187	0.4
58.06981	0.4
59.01255	2.0
61.98690	1.5
63.18661	0.3
69.36258	0.9
69.36662	2.3
71.01242	1.8
72.99172	0.6
73.02811	0.5
79.95610	7.5
81.96227	0.4
82.15336	0.4
85.02818	1.0
88.32211	0.4
88.98677	0.9
95.95081	0.6
96.95885	100.0
98.20581	0.9
101.02323	1.2
109.02834	0.8
110.97433	0.7
116.92686	0.5
123.04461	0.5
125.02321	1.6
135.04381	0.8
159.25940	0.4
161.02322	0.8
163.03883	0.6
166.02669	0.6
169.01323	0.9
175.03912	1.1
177.01921	0.6
181.04959	1.5
190.84981	0.4
191.05371	0.5
201.11224	0.8
285.07745	0.7
289.07138	0.5
309.11896	0.9
313.07230	2.2
313.10648	0.9
315.05008	0.5
328.09497	5.0
343.11847	5.2
344.12299	0.9
358.14169	8.7
359.14520	0.8
364.10388	1.3
373.25839	1.1
453.08609	0.7
468.11008	2.2
665.19092	47.2
666.19379	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	664.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59303	0.5
59.01248	5.8
60.38759	0.5
61.98701	17.0
69.16434	3.0
69.16858	3.1
71.01246	2.8
72.99140	0.6
73.02813	1.2
78.95756	0.7
83.01211	0.7
83.04864	0.6
85.02796	1.3
87.00731	0.8
87.04394	0.7
89.02289	2.0
93.03352	0.6
98.20531	1.0
101.02314	2.4
109.06456	0.7
113.02294	1.6
116.92751	0.6
119.04868	2.3
123.04358	0.8
125.02306	1.4
128.60497	0.6
135.04439	1.0
139.17116	0.5
144.04395	0.5
145.02786	0.6
149.04456	0.5
161.02289	2.9
161.04340	0.5
163.03871	2.1
167.03323	0.6
169.01306	1.0
171.10074	0.8
173.02411	0.6
174.03104	0.9
175.03947	2.5
191.05545	1.2
209.11752	4.2
211.03835	0.7
211.13358	1.2
246.98901	0.5
259.30389	0.6
273.17044	0.6
279.09494	1.0
284.07196	0.5
285.05264	0.9
298.06363	1.4
301.00046	0.6
312.06580	0.7
313.05109	0.7
314.05582	0.9
329.04431	1.8
330.05161	1.1
331.05963	0.7
337.07227	1.5
338.08209	0.8
339.25363	1.6
341.04520	1.7
342.05289	9.6
343.06085	4.8
344.06525	1.0
347.05402	1.5
348.06155	2.3
355.05807	0.6
357.04172	0.7
357.26239	1.1
384.10464	0.8
395.09576	0.6
396.10150	0.8
400.09680	1.1
402.11105	0.6
405.27811	1.6
406.27979	0.6
408.10260	0.9
410.08020	1.3
411.08984	1.0
412.04990	0.6
412.09882	3.1
413.10629	2.4
414.11154	3.0
421.31198	3.7
422.31458	1.1
423.09076	1.1
424.09702	1.1
427.08118	1.1
428.09186	2.3
429.09937	1.5
430.10767	0.9
437.06699	0.7
438.07776	1.4
439.08374	4.7
440.09225	11.1
441.09970	3.5
442.10822	1.7
452.09103	3.8
453.09842	1.8
454.06104	1.1
454.10757	3.3
455.07703	4.8
456.08691	7.6
457.09506	13.2
458.10284	42.2
459.10654	6.2
468.08871	1.8
469.09366	4.5
470.10355	9.3
471.10962	3.8
472.11713	1.7
482.10312	1.4
485.08752	1.5
486.09644	0.9
487.10602	8.3
488.10892	1.2
498.09857	2.8
499.10361	0.9
500.11395	7.5
501.11707	1.3
501.31989	7.1
502.13223	0.8
502.32846	2.8
590.13947	0.9
602.14563	1.2
618.14160	6.0
619.14099	1.4
620.15576	100.0
621.15924	16.7
621.24347	0.5
636.15002	4.5
637.15228	1.0
663.37427	3.7
664.14539	49.1
664.37976	2.8
665.14984	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	664.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.00996	0.8
59.01248	6.3
61.98701	15.9
70.04023	0.5
70.98901	1.2
70.99255	0.7
71.01248	3.3
73.02808	1.5
75.00745	0.6
78.95782	0.6
83.01221	0.6
84.01988	0.5
85.02837	0.6
87.00763	0.5
88.98665	0.9
89.02288	1.8
89.80573	0.5
99.00752	0.7
101.02312	2.7
113.02308	0.8
116.04913	0.8
117.03350	0.7
119.04884	2.2
121.02795	1.2
123.04445	0.5
125.02290	2.0
131.04895	0.5
135.04372	0.9
137.02388	0.8
145.02852	0.8
147.04448	0.7
161.02338	3.2
161.04459	0.6
163.03925	2.9
163.11224	0.6
169.01315	0.8
171.10191	0.8
173.02312	1.0
174.03088	0.7
175.03883	2.3
177.02000	0.5
187.03934	0.6
205.48393	0.6
207.10127	0.6
209.11737	4.5
210.12138	0.7
211.03917	0.7
211.13322	1.1
226.66011	0.5
235.08105	0.6
235.92763	0.5
266.89877	0.5
284.07120	1.3
298.06329	1.0
299.99249	0.8
300.06735	0.5
300.99692	0.8
312.06564	0.8
313.05240	0.7
314.05713	0.9
329.04443	1.1
330.05127	1.1
331.06064	0.8
337.07239	1.6
339.25323	1.6
340.25833	1.0
341.04587	1.1
342.05307	9.7
343.06036	5.3
347.05322	2.9
348.06183	1.5
349.06827	0.8
355.05826	0.9
357.26190	1.0
365.06970	0.8
383.09290	0.6
384.10251	0.6
395.09067	0.6
396.10373	1.3
405.28058	0.7
408.10367	0.7
410.07663	1.0
410.12390	0.8
411.08893	1.1
412.09866	3.7
413.10382	2.1
414.11359	3.9
415.12311	0.9
421.31113	3.3
422.31378	1.2
423.08990	1.5
424.09775	0.9
425.10464	0.7
426.11929	0.9
428.08969	2.6
429.09970	1.8
430.10876	1.3
438.07724	1.5
439.08466	4.4
439.32611	0.5
440.09244	10.1
441.09875	4.6
442.10596	1.4
452.09216	3.8
453.09952	1.8
454.05951	1.1
454.10870	2.6
455.07574	4.4
456.08624	7.1
457.09528	13.3
458.10315	38.0
459.10724	5.4
468.08713	2.0
469.09366	4.8
470.10251	9.1
471.11282	2.8
472.11792	2.2
482.10434	1.4
485.08911	2.1
486.09921	1.1
487.10587	7.4
488.11047	0.7
498.10068	2.9
499.10104	0.9
500.11426	6.4
501.11679	1.5
501.32175	6.5
502.13010	0.7
502.32657	3.2
530.12561	0.9
541.18323	0.7
602.14838	0.9
618.13818	5.2
619.14014	1.2
620.15582	100.0
621.15924	19.7
636.15222	5.6
637.15247	0.9
663.38007	3.3
664.14539	41.7
664.37488	2.2
665.14935	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	663.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	33.8
59.66132	0.3
60.01591	0.3
60.42514	0.3
61.98700	2.4
69.38985	0.2
69.45612	0.3
70.97930	0.3
70.98275	0.8
71.01260	0.5
74.57172	0.3
78.95763	0.9
101.02280	0.5
125.02288	0.3
127.19116	0.3
127.62925	0.3
152.99438	0.5
161.02432	0.3
171.10156	0.6
196.73726	0.3
201.11281	0.4
209.11826	0.3
232.31732	0.3
234.11658	0.3
294.72458	0.3
302.48041	0.3
341.13251	0.3
471.34744	100.0
472.35107	15.5
657.31915	0.3
663.11536	0.4
663.34753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3753
Annotation	4-Epipinfaensin
Peak:m/z	Relative Intensity
59.01249	4.8
61.98700	11.3
66.84599	0.4
71.01252	3.9
72.99168	0.5
75.00742	0.5
78.64321	0.4
78.95755	0.5
80.56115	0.4
82.97868	0.4
83.01237	0.6
83.04911	0.5
85.02810	1.2
87.00734	0.8
89.02299	1.8
96.95882	0.9
98.19818	0.9
101.02307	1.5
106.28537	0.4
108.02056	0.6
113.02315	1.3
116.92751	0.7
119.04901	1.7
121.02769	0.5
123.04376	0.6
125.02352	1.0
135.04373	0.6
137.02252	0.5
151.03905	0.4
152.01070	0.6
158.30969	0.4
161.02330	1.0
163.03880	1.2
167.03352	0.9
171.10168	0.5
174.03101	1.0
175.03906	2.3
179.05544	0.5
183.93971	0.4
187.03938	0.5
189.12729	0.5
191.05553	0.6
195.79311	0.5
199.10985	0.5
199.51535	0.4
209.11745	3.8
211.13280	0.7
246.04121	0.4
300.99719	0.5
329.04498	0.5
331.06082	0.5
339.25314	0.4
347.05609	1.5
348.06271	0.8
355.26450	2.1
357.26685	0.6
373.25943	0.5
377.28360	0.6
379.30234	0.6
395.33359	0.5
411.32535	0.5
413.34161	1.1
423.29025	25.9
424.29355	5.2
437.30545	1.2
439.32132	5.2
440.32153	0.9
456.08429	0.5
457.33191	14.6
458.10303	8.3
458.16083	0.8
458.33640	2.2
479.03857	0.5
483.31076	1.5
501.20255	0.7
501.32202	20.5
502.32706	3.1
511.06723	1.1
512.07410	0.5
543.33051	0.8
601.37408	3.0
602.37048	0.7
620.15802	6.5
645.36334	0.8
663.37482	100.0
664.37891	21.7
664.46722	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	663.3749
Annotation	4-Epipinfaensin
Peak:m/z	Relative Intensity
53.18893	0.4
57.03321	0.4
58.00447	0.5
59.01249	4.9
60.99162	0.7
61.98383	0.8
61.98701	14.3
62.14385	0.4
64.01594	0.4
71.01252	2.9
71.06458	0.5
71.06823	0.8
72.99176	0.6
73.02806	0.8
75.00725	1.1
78.95757	0.6
83.01233	0.4
85.02796	0.4
88.98659	0.7
89.02306	1.5
93.03353	0.4
101.02306	1.5
109.02848	0.7
115.16136	0.4
119.04900	0.7
119.08551	0.6
121.02826	0.4
123.04400	1.0
125.02328	1.8
135.04378	0.8
145.02866	0.5
150.02986	0.4
153.01842	0.6
161.02383	0.6
167.03516	0.8
169.01314	0.7
173.04518	0.4
174.03079	0.5
175.03928	1.6
176.04434	0.4
177.01941	0.6
179.03435	0.6
185.11838	0.4
189.01907	0.9
207.10167	0.8
217.01381	0.5
219.02773	0.5
237.98286	0.4
263.54379	0.4
265.05069	0.4
275.03668	0.4
275.51572	0.4
277.55557	0.4
300.99991	0.7
316.85416	0.4
321.04010	6.2
322.04385	0.8
335.05942	0.8
347.05716	0.8
348.06015	0.8
394.84317	0.5
405.28006	5.2
406.28156	0.7
409.27347	0.8
419.29144	0.6
421.25388	1.0
421.31116	20.8
422.31494	3.7
435.32623	0.6
439.32147	18.2
440.32431	2.8
454.14087	0.5
455.31653	0.9
457.04047	0.5
457.33197	0.6
483.31543	0.6
501.32199	24.5
502.32568	3.7
543.33136	1.1
663.14294	2.9
663.37506	100.0
664.12903	0.8
664.37842	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	663.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01240	2.2
61.98701	2.6
69.67526	1.2
69.67931	2.7
71.01250	2.3
73.02808	1.0
75.00778	0.5
85.02810	1.0
89.02312	1.0
97.73486	0.5
98.19777	0.5
101.02320	1.1
108.02054	0.9
109.02839	1.1
113.02349	0.8
114.48522	0.5
116.92709	1.1
125.02328	1.2
135.04413	0.9
137.02318	0.8
152.01076	1.1
161.02342	1.5
165.01927	0.6
169.01410	0.5
175.03888	1.4
177.01785	0.5
177.90408	0.5
183.04448	1.8
195.04459	0.7
196.05215	1.0
197.06047	1.2
207.04465	0.9
209.06009	1.1
211.04005	1.4
212.04736	1.1
222.03177	9.9
223.03819	1.4
224.04778	1.5
225.05592	2.8
235.03914	2.1
236.04623	0.7
237.05409	0.8
239.03456	2.0
240.04198	4.0
241.04851	1.2
250.02682	12.0
251.03407	2.7
252.04189	1.4
253.04984	5.1
263.03485	2.1
267.02914	1.4
268.03827	1.9
278.02191	18.3
279.02908	10.2
280.03540	2.1
281.04477	3.1
289.07056	0.7
295.02475	2.5
296.03171	2.5
300.99921	1.0
306.01746	1.6
307.02457	16.5
308.02979	2.7
308.44556	0.5
323.01920	2.7
324.02728	100.0
325.03476	79.0
326.03909	7.0
335.02045	1.1
371.24319	0.7
397.06192	0.7
401.95230	0.6
487.08859	21.8
488.09232	2.3
501.10190	0.6
501.32297	0.6
663.13538	39.9
663.35016	1.6
664.13672	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	663.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89628	1.2
59.01257	6.7
61.98674	3.5
65.37076	1.5
69.22089	2.9
69.22514	13.3
71.01241	6.7
72.74995	1.3
72.99158	1.9
73.02809	3.3
75.00733	4.4
81.50257	1.3
83.01257	3.1
85.02823	3.0
87.00755	10.2
89.02315	3.6
91.65535	1.5
93.03316	2.3
96.95880	7.2
99.00751	3.2
101.02299	4.1
103.49040	1.3
105.01828	12.9
107.01273	2.1
107.69791	1.4
108.02082	2.4
109.02839	7.3
109.16794	1.4
111.00744	2.3
113.02342	2.7
117.03307	4.4
119.04900	21.1
121.02852	2.6
123.04417	5.0
124.01574	1.8
125.02341	11.2
133.02840	18.4
133.06487	1.4
134.03596	3.0
135.02866	3.4
135.04404	41.8
136.04794	2.0
137.02373	7.5
143.04861	1.8
145.02859	17.8
146.03557	1.3
147.02884	2.7
149.02313	4.0
149.05931	4.2
150.03122	2.5
151.00233	1.9
151.03929	2.6
159.04393	4.4
160.01563	12.6
161.02357	12.9
161.05914	4.9
163.03932	8.8
164.04645	2.4
165.03954	100.0
166.04297	3.0
167.03458	2.0
169.01317	4.2
173.02344	4.9
174.03119	2.3
175.00285	3.3
175.03923	19.1
177.01782	4.3
177.05420	7.5
178.02516	2.1
178.99867	2.1
179.03413	61.1
180.03766	3.3
181.08543	1.7
187.03908	5.1
190.02618	5.8
191.03352	2.4
191.05498	4.3
193.05002	2.1
203.03352	1.8
205.04991	20.1
206.05360	2.2
207.02692	1.7
207.06174	1.5
209.67059	1.5
219.08064	8.6
221.04437	3.0
221.07928	1.6
223.06018	4.1
231.03047	2.4
235.07629	3.5
237.05582	1.6
237.09111	4.3
241.04967	2.9
243.02885	2.3
244.05186	1.9
245.03947	1.8
245.06079	17.5
245.08296	2.5
246.06488	2.5
247.07675	3.9
263.07150	21.8
264.07407	1.9
265.07211	8.0
270.01440	1.9
271.02493	12.2
271.09720	1.8
273.05463	3.8
275.01727	1.7
287.01920	5.4
289.04526	2.0
289.07162	5.1
290.05670	1.7
290.07544	1.6
291.06604	12.4
295.08176	2.3
296.11023	1.6
300.02588	2.4
300.99792	8.4
301.03156	3.0
307.06122	28.2
308.06497	4.0
309.06229	4.7
316.02243	17.2
317.02869	4.0
318.05240	2.0
325.09164	3.9
327.07208	59.5
328.07382	3.6
335.01563	3.0
335.05600	55.2
336.05893	5.3
337.09125	3.9
339.05334	1.8
341.08954	2.0
359.12650	2.0
367.10037	2.0
369.08191	9.7
385.11664	2.0
457.13214	2.5
479.08188	3.6
483.09381	3.9
487.14557	2.8
501.14444	2.0
631.18768	2.5
663.18756	27.6
664.17816	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	662.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82512	0.1
59.01246	0.3
61.98700	100.0
62.98402	0.2
65.23351	0.1
69.18087	1.0
71.01254	0.5
73.02808	0.1
83.01273	0.1
83.30351	0.1
89.02299	0.1
101.02343	0.3
102.02672	0.1
113.02315	0.1
125.02261	0.1
209.11836	0.1
233.31972	0.1
439.32193	0.2
447.89322	0.1
467.30536	0.1
468.30594	0.2
469.30862	0.2
470.31067	0.3
501.32547	0.2
561.89752	0.1
599.98102	0.1
601.35333	0.2
602.35419	0.5
627.89771	0.1
662.34503	0.1
663.37775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08931	0.1
59.01239	0.8
61.98701	100.0
62.98402	0.2
62.99101	0.1
71.01254	0.9
73.02826	0.4
74.03204	0.1
78.95836	0.1
83.01250	0.2
85.02839	0.4
87.00758	0.1
89.02351	0.1
96.95893	0.1
98.19851	0.2
99.00749	0.1
101.02334	0.6
102.02684	0.1
103.02785	0.1
113.02349	0.3
123.04390	0.1
125.02274	0.1
131.03442	0.3
135.04475	0.1
161.04492	0.3
167.03410	0.2
175.03940	0.4
207.10370	0.1
209.11748	0.1
236.40598	0.1
282.28174	0.1
411.05399	0.1
441.92133	0.1
467.30209	0.1
468.30252	0.5
469.30759	0.8
470.30798	0.7
513.83612	0.1
601.35217	0.1
602.35461	0.7
663.12231	0.3
663.35645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49675	0.1
59.01244	0.7
60.17479	0.1
60.36275	0.1
61.98703	100.0
62.99166	0.1
71.01258	0.4
71.22875	0.3
73.02820	0.2
75.00790	0.1
78.95767	0.2
81.03323	0.1
85.02799	0.1
87.00767	0.1
88.05228	0.1
89.02320	0.3
101.02360	0.2
113.02325	0.2
119.38248	0.1
130.98509	0.1
135.04359	0.1
140.99394	0.1
151.03836	0.1
151.07605	0.1
167.03470	0.1
170.32346	0.1
175.03946	0.5
179.05429	0.1
189.01945	0.1
209.11746	0.2
277.64459	0.1
300.99896	0.2
335.05685	0.2
375.07404	0.1
429.29987	0.1
470.31680	0.2
499.31097	0.5
500.31085	1.0
501.32147	0.4
602.35681	0.4
630.32306	0.3
662.35553	0.3
663.37524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64022	0.7
57.03280	0.7
59.01241	3.7
61.98694	3.5
71.01256	1.5
71.37575	0.7
73.02822	1.0
78.43462	0.7
80.04934	3.0
80.48632	0.8
82.02852	2.1
89.02316	0.8
91.42776	0.7
93.03334	1.8
94.02860	28.7
95.01259	0.7
96.04434	1.7
96.95832	1.0
98.20612	1.1
99.96712	0.7
100.38972	0.8
101.02323	1.2
102.01053	0.7
104.04903	1.4
105.05748	0.9
106.06472	1.6
108.04445	1.5
108.08080	4.4
110.06074	0.8
112.76585	0.7
119.04895	0.8
120.08083	22.8
121.05234	4.3
121.08471	0.9
132.04439	3.0
134.06024	2.7
136.07573	100.0
137.07915	3.3
138.05504	14.1
145.02821	0.9
150.05516	1.6
153.04239	1.3
160.01607	1.6
160.03958	1.6
161.02219	0.9
161.04582	1.0
161.05956	1.0
163.03899	1.3
169.40851	0.9
174.03130	1.4
175.03844	1.7
175.56680	0.9
190.04987	4.8
197.11871	1.2
200.04573	1.0
201.11220	0.9
209.11761	1.4
211.12355	1.9
221.10785	0.9
223.08672	8.0
224.09413	2.5
225.10277	2.2
227.03340	1.1
229.13420	3.1
235.08675	0.9
235.12315	1.2
236.09462	1.4
237.10274	6.7
238.11086	5.3
239.11842	6.3
241.13324	1.1
249.06638	1.4
249.10295	1.0
251.08229	2.6
251.11845	5.1
252.12558	1.6
253.13457	1.3
259.06042	1.9
263.08206	4.6
263.11230	0.8
264.08981	6.4
265.09811	4.0
265.13425	0.9
271.10880	1.5
276.08939	1.5
277.09833	3.4
278.10522	4.5
279.06683	4.4
279.11349	24.7
280.11951	2.6
281.12955	2.6
282.13428	0.8
283.10965	1.2
289.07120	0.9
291.11380	5.8
292.12131	3.3
293.12912	1.8
297.12503	2.2
303.13107	0.8
305.09225	1.2
307.10941	2.0
308.59570	0.8
309.12396	2.1
311.13913	0.9
316.14618	0.8
317.09335	1.0
321.07684	2.9
323.10306	2.0
324.11041	1.8
339.13574	2.1
352.09393	1.1
353.10321	5.1
354.10721	1.0
355.69009	0.9
360.20737	1.0
372.17148	2.3
373.17432	1.1
376.16519	0.7
386.18750	8.9
387.19254	2.8
388.20560	1.3
399.19525	1.1
400.16077	1.1
400.20627	1.8
401.21039	3.0
412.16608	1.1
414.18005	1.2
427.18817	2.6
428.19724	9.8
429.20526	2.3
431.18304	1.0
432.19083	4.7
433.20047	1.1
445.20053	2.9
446.20917	4.7
454.17468	0.9
455.18420	3.1
460.18286	0.9
472.18704	11.9
473.19479	12.2
474.20010	2.3
504.21359	17.9
505.21622	2.5
525.24994	2.2
529.25269	0.7
567.26001	6.6
569.23920	7.8
570.24072	1.5
585.27252	7.6
586.27759	1.4
601.26471	4.2
602.27246	1.4
611.25085	19.6
612.25592	3.6
629.26111	82.2
630.26288	15.6
643.27655	5.2
644.28131	0.9
661.27863	15.2
662.28857	4.8
684.72327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37146	1.9
57.03307	5.0
59.01239	7.6
61.98687	4.7
71.01247	6.8
72.99169	2.9
74.99005	1.7
75.00729	1.9
81.03313	5.7
83.01255	10.7
85.02819	2.4
88.98645	4.1
89.02316	3.3
92.63747	1.4
93.03331	5.8
95.01261	2.5
95.04898	5.4
96.95876	8.2
97.02853	8.5
99.00807	1.4
101.02316	2.2
107.01232	1.9
107.04917	1.5
108.02063	3.3
109.02152	2.5
109.02843	35.0
111.00721	1.6
111.04411	2.0
120.99519	4.8
121.02831	6.3
122.03516	2.0
122.05995	4.5
123.00803	2.8
123.04410	21.5
125.02341	32.3
132.04434	2.7
133.02832	2.5
135.02887	2.5
135.04440	7.9
137.02342	61.6
138.02751	2.3
139.03932	8.6
139.36769	1.7
145.02798	1.9
146.03601	2.0
146.17133	1.7
147.00629	2.0
147.04390	4.1
149.02377	11.7
150.03142	2.5
150.05511	2.6
151.00270	4.5
151.03896	15.6
158.02429	1.8
159.04414	6.0
160.03970	3.2
160.05232	2.9
161.02359	12.4
161.04532	2.5
161.05965	7.9
161.72577	1.5
162.03094	3.5
163.03937	3.2
164.01022	5.8
165.01848	30.9
165.05365	1.8
165.84767	1.5
166.02513	4.0
167.03389	4.6
169.01317	5.7
173.05942	1.8
174.03087	3.3
175.03918	11.5
175.07547	2.4
176.04727	3.2
177.01817	3.8
177.05511	1.8
178.63986	1.7
178.99785	2.2
179.03421	31.5
180.04195	16.0
181.05014	4.2
187.03918	8.2
188.04649	5.3
189.01799	1.9
190.04977	5.1
191.03345	1.8
191.05553	5.7
194.05768	8.2
195.06580	18.8
201.05428	3.1
202.06287	3.3
203.03523	1.7
203.07077	26.7
204.07315	1.6
205.05006	14.2
209.08134	17.9
210.05251	3.0
215.07031	4.4
217.01340	2.0
219.02643	1.8
221.08167	3.2
225.05678	1.8
225.07674	15.9
227.06995	3.3
230.05615	1.6
235.85974	1.8
239.08238	1.8
239.11768	5.1
241.09937	2.2
245.08186	31.4
247.05986	5.8
253.06148	2.4
253.08995	1.6
255.11340	3.1
268.08365	5.2
271.02460	3.7
271.06140	2.8
275.01837	2.0
280.08481	5.3
283.10895	31.8
284.02347	1.9
284.11139	2.8
289.07184	86.0
290.07544	6.2
295.10910	15.4
296.11090	2.3
299.99039	2.2
300.02689	2.4
300.99771	4.8
301.03659	3.6
301.07043	12.3
316.02191	6.2
317.02621	1.8
327.09760	9.5
327.13477	5.4
337.11810	3.7
339.09766	8.5
346.04788	5.5
347.14877	2.4
359.12561	17.4
371.12479	7.5
379.08124	2.0
403.13779	5.7
407.07300	1.8
509.15659	25.6
510.16437	4.6
525.21271	4.6
585.18030	4.7
617.22345	3.7
629.17560	33.8
630.18042	9.9
661.20209	100.0
662.20776	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	659.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.2
57.03316	2.7
58.00463	0.8
59.01252	39.0
65.07755	0.8
69.03345	0.8
71.01255	45.6
72.01588	1.0
72.99158	1.0
73.02819	15.7
75.00746	0.9
83.01257	7.9
85.02824	22.5
87.00756	2.1
89.01860	0.6
89.02323	4.9
95.01258	3.8
97.02831	1.1
99.00751	8.7
101.02321	38.7
102.02643	0.9
108.17488	0.7
111.00761	1.3
113.02327	18.7
114.02682	0.7
125.02311	1.0
129.01884	1.0
131.03404	20.9
132.03763	0.7
137.02296	0.6
143.03419	2.9
149.04460	0.6
154.46320	0.6
159.02899	4.4
161.04459	22.7
162.04785	0.7
195.57881	0.6
287.38547	0.8
326.75449	0.6
420.58237	0.6
467.30133	100.0
468.30463	15.5
488.21857	0.6
511.28967	1.9
599.34406	55.0
600.34637	9.9
659.35773	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	659.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64744	0.4
59.01261	0.4
61.98698	3.8
71.07655	0.7
78.95776	100.0
80.02542	1.5
81.03332	1.6
83.04888	4.6
84.02042	0.9
95.04913	0.7
96.96840	8.7
110.42719	0.4
113.09657	0.6
122.24726	0.4
125.05984	0.6
134.98427	1.1
148.83119	0.4
150.97914	1.0
151.57184	0.4
152.99492	56.0
153.99783	1.5
163.11208	3.9
163.29530	0.4
165.12733	2.0
171.00562	1.1
179.14334	0.6
181.12354	0.5
191.10759	0.9
193.32320	0.4
195.13857	6.5
196.14227	0.4
199.13232	0.5
209.11769	62.2
210.12100	4.2
227.12852	7.5
228.13347	0.4
241.89153	0.4
277.21759	5.4
278.22119	0.5
295.22784	25.6
296.23203	2.2
363.12140	35.6
364.12424	2.4
381.13159	7.6
431.22031	11.2
432.22510	1.4
449.22910	4.3
450.23422	0.5
659.35632	53.0
660.36023	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	659.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.1
57.03316	4.6
58.00471	1.3
59.01252	56.0
60.01598	0.7
60.97875	0.6
61.98702	3.4
63.78370	0.5
68.54419	0.7
69.03345	0.9
69.50837	4.3
71.01252	59.8
72.01574	1.0
72.99189	1.9
73.02818	22.2
75.00755	1.5
77.91770	0.5
81.03336	1.0
83.01263	8.7
85.02822	29.0
86.03173	0.8
87.00739	3.3
89.02319	9.1
95.01260	3.9
97.02840	2.6
99.00753	9.6
101.02321	47.6
102.02675	1.0
102.05617	0.6
103.93471	0.5
111.00806	2.2
113.02326	24.3
114.02691	0.6
125.02339	3.1
129.01848	1.7
131.03395	35.1
143.03400	3.6
149.04480	1.9
159.02930	4.7
161.04462	30.4
162.04865	0.6
169.12296	1.0
173.91917	0.6
175.03938	2.1
176.04388	0.7
205.03513	0.8
209.11804	1.4
233.06676	1.1
295.10773	0.8
297.12244	1.5
323.10608	1.1
367.09445	0.9
375.45956	0.6
383.74500	0.6
399.12216	0.7
406.78754	0.6
467.30115	100.0
468.30438	13.7
496.04266	1.8
497.05002	4.7
511.29138	2.9
599.34338	84.0
600.34680	17.0
627.24585	2.0
659.10748	4.1
659.34784	1.8
660.10974	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	659.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
59.01253	1.1
61.98707	2.3
62.96273	0.8
69.39518	4.0
69.45889	0.4
78.95773	100.0
80.02534	0.8
81.03368	0.6
83.04885	2.2
84.02028	0.5
96.00007	0.4
96.96207	0.5
96.96835	9.6
98.20554	1.0
113.09616	1.0
134.98430	1.0
150.97919	0.7
152.99481	57.4
153.99783	1.1
163.11185	2.3
165.12721	1.0
171.00526	1.4
174.29225	0.5
179.14442	0.7
181.12236	0.7
191.10721	0.5
195.13831	10.5
196.14159	0.8
197.11725	0.6
202.84724	0.5
209.11755	27.2
210.12090	2.0
227.12837	5.0
251.23698	0.5
277.21695	10.3
278.21881	0.8
295.22763	40.1
296.23160	4.7
363.12119	13.5
364.12326	1.1
381.13156	1.1
431.22003	25.6
432.22357	3.2
449.23019	10.5
449.28906	0.8
450.23215	1.0
659.35583	52.1
660.25806	0.8
660.35956	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	659.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03315	2.0
59.01252	9.4
61.98692	3.5
62.12140	0.5
69.03329	1.0
70.36313	0.5
70.99984	1.4
71.01254	7.5
73.02819	2.1
78.67192	0.6
80.31096	0.6
81.03328	1.5
83.01254	2.1
83.04889	5.8
84.02032	1.5
85.02839	2.4
87.00742	1.2
89.02312	4.8
93.03320	0.9
95.04910	1.6
96.95894	1.1
97.06462	5.2
99.00739	0.8
100.28728	0.6
101.02325	7.2
108.02059	0.8
109.06470	0.8
113.02356	3.4
119.03343	1.0
121.99359	0.6
125.09583	1.0
132.94821	0.6
133.04997	0.7
135.04416	0.7
135.08075	1.1
137.02371	0.9
151.11194	16.9
152.11540	0.7
161.02359	1.6
161.04463	2.6
163.11223	3.6
165.12743	2.7
169.12254	100.0
170.12608	5.0
173.04581	0.5
174.03165	1.7
175.03937	8.3
175.36638	0.7
179.05467	1.0
181.12317	0.9
191.10677	0.7
195.10191	2.7
209.11775	64.1
210.12076	4.4
211.03978	0.8
211.13332	0.8
213.11281	14.1
214.02640	1.0
214.11633	0.7
226.02789	0.7
227.12828	6.6
235.08203	1.7
253.09280	5.9
273.89856	0.8
351.06726	0.9
366.05524	0.7
367.05917	1.2
368.06821	0.9
379.06088	1.3
394.04767	1.3
395.05475	2.1
396.06302	2.2
407.05743	1.1
410.82349	0.6
411.05270	1.4
412.05719	1.0
422.04251	0.8
423.05133	1.5
424.05750	1.9
431.19351	3.5
440.05276	1.6
445.20618	1.1
449.20294	11.1
449.40714	0.6
450.20718	1.3
451.04691	1.1
452.05051	1.0
467.30115	0.9
478.03857	0.7
479.03680	1.3
496.04321	17.4
497.05133	15.9
498.05212	2.9
641.31891	2.7
659.10370	17.6
659.32849	99.8
660.10742	5.3
660.33215	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	659.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33293	1.4
59.01254	24.2
61.98703	13.1
68.36554	1.4
71.01250	11.1
71.51355	1.9
71.51758	1.9
72.05997	1.3
73.02823	4.3
75.53855	1.3
80.04926	13.4
81.03334	2.0
82.29560	1.3
83.04910	4.0
85.02797	3.5
85.73387	1.4
87.00750	1.3
87.04400	4.0
89.02317	4.8
94.02861	4.7
95.04955	1.6
96.95912	4.1
99.00752	2.3
101.02305	5.9
101.80644	1.3
104.04952	3.9
106.06504	3.2
108.02061	8.9
108.04442	4.7
108.08057	6.4
109.02849	4.9
113.02332	3.2
113.45511	1.4
119.03372	2.5
120.08074	2.4
121.05244	3.8
122.05996	5.7
123.00801	1.5
123.04437	1.7
124.03941	5.4
125.02338	3.7
128.65913	1.3
132.04443	2.2
134.06042	1.7
135.03027	1.4
136.03949	6.1
136.07581	69.0
137.07890	3.3
138.05521	5.2
143.03470	1.8
147.05576	4.1
148.03938	3.9
150.05521	10.1
152.01045	7.4
153.01549	1.4
153.04218	1.5
158.48608	1.4
161.02357	1.7
161.04562	2.8
163.03911	1.5
163.11197	1.3
169.01366	1.3
169.12187	3.0
171.10201	3.3
173.04575	1.2
174.05559	4.5
175.00337	1.6
175.03833	1.8
175.05083	3.3
179.05515	2.2
183.10199	1.8
185.11734	2.9
190.05054	3.4
197.11778	5.4
198.18512	1.3
200.09453	2.0
201.10080	16.5
205.05014	1.6
209.11726	11.9
210.12167	2.8
212.10806	1.8
213.10312	6.0
221.50374	1.3
225.11328	1.9
227.12024	6.0
229.09842	20.6
229.13370	18.9
230.09947	1.7
235.08495	1.5
237.10268	2.8
239.11839	10.1
241.09737	2.6
243.11266	1.6
245.12946	2.2
247.10844	3.3
249.10439	1.4
253.09375	1.9
255.11311	8.1
257.12909	6.0
263.08322	1.7
265.09674	1.9
267.11511	2.4
269.12997	2.0
271.05923	1.8
273.12381	7.5
274.09811	1.5
279.11435	1.6
281.09290	1.7
283.10797	2.2
289.11984	5.4
297.12408	8.3
301.03180	1.4
301.11935	20.7
305.14456	1.3
307.10873	4.7
309.12479	4.3
310.13165	1.4
316.10956	1.8
317.11734	1.4
319.12976	94.5
320.13358	9.9
327.13354	3.1
330.12643	2.1
335.22073	2.7
339.13495	3.7
344.10236	2.3
359.12729	2.4
360.13461	1.8
372.13458	2.7
374.15186	9.5
391.15350	4.0
392.16049	10.6
403.15213	2.2
415.23441	5.2
416.16132	6.3
418.13870	1.7
434.17264	4.3
435.17480	1.5
439.61740	1.5
446.17114	1.9
507.40732	1.7
515.26855	2.2
523.23352	3.7
541.24579	22.6
542.25165	4.4
545.93024	1.5
559.25684	2.4
565.24664	9.4
567.23151	1.9
583.25623	80.7
584.25989	16.2
586.24463	4.5
609.23077	2.6
627.24573	100.0
628.24817	22.6
641.22632	1.9
658.35345	3.4
659.10907	1.7
659.25159	17.4
659.37146	19.6
660.27899	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	659.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46387	1.1
57.03304	1.6
59.01250	11.5
61.98410	1.3
61.98698	10.0
67.01752	1.4
68.50822	0.9
68.56736	1.1
68.74530	0.9
68.99677	1.5
69.03291	1.8
69.31258	9.8
71.01247	4.4
72.99160	1.4
79.95597	1.5
81.03323	1.2
83.01228	2.0
85.02810	1.3
88.98656	1.1
89.02313	2.5
92.60435	1.2
93.03344	2.7
95.01243	5.8
95.04900	1.5
96.95884	43.2
97.02820	2.1
101.02283	2.6
108.02010	2.1
109.02831	4.5
111.00761	3.5
113.02319	2.2
117.03358	1.2
119.04907	2.7
121.02811	3.7
122.03630	1.2
123.00765	10.4
123.04395	2.0
124.01517	3.7
125.02343	8.1
127.00197	1.1
131.04924	1.2
135.04407	4.6
136.01564	1.4
136.98808	2.2
137.02335	21.2
137.99512	1.2
138.03195	6.1
139.00264	8.2
139.03906	3.6
140.01041	1.3
145.02866	4.1
147.04369	5.6
149.02347	3.0
151.00287	15.4
151.03906	3.0
152.01013	2.5
153.01843	7.8
153.05472	6.0
159.04440	2.9
160.01561	1.8
161.02328	5.1
161.05951	1.4
162.03107	4.3
163.03900	4.2
164.00996	1.6
165.01842	74.1
166.02623	39.2
167.03102	2.3
168.04228	1.8
169.01346	3.5
174.03099	3.2
175.03946	7.8
176.01093	2.8
176.04680	1.7
177.01860	8.0
177.05466	5.4
178.02599	4.3
179.03412	17.0
180.04187	50.5
181.04982	76.8
182.05331	3.9
183.10194	2.4
187.03964	1.3
189.01837	3.1
189.05536	1.9
190.02681	2.4
191.03404	14.2
191.07080	1.5
192.04179	11.2
193.01318	1.2
193.04913	6.6
194.05722	3.6
195.02885	3.6
195.06555	51.8
196.06955	2.4
198.80811	1.0
203.03448	25.0
204.04018	2.4
205.04968	4.9
205.08670	1.3
206.05750	1.9
207.02925	1.1
207.06567	7.7
208.03726	2.0
209.08130	2.2
210.05269	11.2
217.01340	1.6
218.05774	19.6
219.06439	3.3
221.04556	7.8
223.06038	4.9
225.07626	22.9
225.14743	1.4
226.07848	1.1
227.12775	1.6
233.08157	32.6
234.05212	1.2
234.08571	2.1
235.06076	3.1
236.06868	17.7
237.07484	3.1
243.06491	1.5
249.07706	2.5
251.09206	83.5
252.09587	5.0
269.00723	1.1
269.04886	1.0
271.02228	1.5
274.01273	1.1
275.01868	1.4
276.99615	1.1
283.06192	1.3
289.07138	1.7
297.00623	1.2
300.02725	1.1
300.99927	2.3
311.05658	1.1
315.01077	1.2
337.07065	1.3
339.08795	2.1
355.08243	1.6
357.09772	2.9
358.10526	5.0
363.08633	1.6
373.12915	11.0
385.12900	2.6
387.10632	2.8
393.06241	1.9
403.09528	1.5
403.13965	4.4
416.11169	2.3
417.11780	1.9
418.12637	2.7
431.13348	6.4
432.14343	6.2
433.15005	32.4
434.15274	3.2
449.14633	3.4
497.34616	1.5
503.09299	1.3
517.10907	3.2
581.16187	2.1
611.21460	14.5
612.21484	2.3
627.14630	1.4
628.30475	1.3
641.22290	1.4
647.38739	1.3
659.23450	100.0
659.35425	7.4
660.23779	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	659.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01250	9.3
61.98701	14.8
69.03349	0.7
69.25534	0.7
69.25863	7.6
70.13131	0.7
71.01250	5.6
72.14721	0.8
73.02815	3.7
75.00786	1.0
81.03378	0.8
83.01272	1.4
83.04902	1.2
85.02840	2.5
87.00754	0.8
87.04414	0.9
89.02339	2.8
93.03367	1.5
95.01237	1.1
95.04923	3.3
96.95922	2.4
99.00814	1.5
101.02319	3.7
108.02062	5.4
109.02915	4.0
111.00837	0.7
113.02357	2.7
119.03464	0.9
119.05000	1.1
125.02362	1.9
134.06065	1.2
135.04385	0.8
136.07631	1.2
137.02335	1.6
138.05385	0.9
139.03920	1.1
140.07104	0.7
143.03336	0.7
149.06029	0.7
152.01028	4.8
152.07133	1.5
153.01736	2.9
159.58009	0.8
161.02350	5.7
161.04498	1.8
163.03941	1.2
165.09154	1.2
169.12239	1.6
171.10175	0.8
174.03203	0.9
175.03935	2.5
181.08658	3.2
182.08981	1.1
185.11810	1.7
190.02594	0.8
191.05627	1.2
197.11806	2.2
201.11241	1.9
209.11749	13.8
210.12105	7.7
211.13596	3.9
212.13722	1.1
213.11317	1.1
225.11339	1.2
227.12965	1.8
235.04010	0.7
235.08162	0.8
251.03429	1.0
253.09206	1.1
263.03589	1.1
271.02371	1.6
271.06006	0.8
277.05252	0.8
283.10767	0.9
289.07217	0.8
292.03644	0.9
299.01941	2.2
300.99814	0.9
303.02792	0.8
307.07791	0.8
311.07260	0.7
314.04443	1.2
319.13058	2.2
321.07596	1.5
322.06384	1.5
323.07162	3.0
325.04959	2.1
329.04602	3.0
335.07092	1.7
335.22345	1.1
338.05756	1.9
339.06683	5.1
340.07071	2.3
342.05389	0.9
350.05670	3.8
351.06595	11.9
352.07217	3.3
353.04605	1.6
354.05194	1.1
355.06213	2.1
357.26498	1.3
360.28442	1.0
361.05008	0.8
362.05890	1.3
363.06650	2.8
366.05359	3.4
367.06088	20.9
368.06848	20.7
369.07538	4.8
377.04590	1.9
378.05383	3.1
379.06100	8.6
380.06531	3.3
389.04233	0.8
390.05231	1.0
391.06186	1.9
394.04672	1.9
395.05484	6.6
396.06268	6.5
397.06918	5.2
406.04733	2.3
407.05524	7.3
415.23221	2.5
417.04056	1.1
422.04382	1.6
423.05197	2.9
424.06223	3.6
425.06345	1.9
428.04779	0.8
434.03842	3.3
435.05035	9.3
436.05972	1.7
450.03513	1.0
451.04706	1.9
452.05338	18.2
453.06082	14.5
454.06616	1.3
479.03754	1.4
496.04337	37.1
496.36734	0.8
497.05109	100.0
498.05548	12.7
507.03452	1.5
583.25757	1.8
584.25562	0.9
627.24963	3.6
658.35120	12.2
659.10388	56.2
659.35974	9.1
660.10614	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	659.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.2
61.98704	5.1
71.01272	2.2
73.02856	0.9
77.31248	0.5
85.02837	1.3
89.02327	0.9
96.95904	1.1
101.02361	1.7
108.02089	1.6
109.02876	1.1
113.02361	1.2
123.04388	0.8
125.02358	0.5
131.03462	0.8
138.01874	0.7
151.03879	0.6
152.01068	1.9
153.01819	0.7
153.05513	1.3
154.06033	0.5
160.01538	0.6
161.02341	5.6
163.03922	0.8
166.90230	0.4
169.12227	0.7
173.02481	0.9
174.03168	1.5
175.03928	7.6
187.03993	0.6
189.01759	0.5
197.02335	0.7
198.03163	1.0
200.22775	0.5
205.05138	0.7
209.11725	3.1
210.12079	0.7
211.03961	1.5
211.13400	1.9
212.13707	1.3
213.01895	1.8
214.02646	1.6
223.03893	0.7
225.75392	0.5
226.02638	3.3
227.03450	0.5
227.12962	0.8
235.04063	0.7
238.02780	0.6
248.04924	0.6
251.03444	0.7
253.09193	0.5
254.02325	1.3
260.00421	0.5
266.02197	1.6
267.02948	1.3
278.02295	0.5
279.03024	1.8
294.01779	1.6
295.02484	1.7
307.02481	1.2
311.07208	0.7
322.01276	0.6
322.06238	0.7
323.01999	1.3
323.06931	0.7
324.07794	1.1
327.06638	0.7
335.01941	2.2
335.06439	0.5
336.03024	0.7
338.05734	0.8
339.06714	2.2
340.07455	2.1
345.04144	1.3
350.05780	3.8
351.06592	3.9
352.07263	1.5
355.06125	1.4
356.06802	0.8
363.06168	0.7
366.05307	4.0
367.06076	5.0
368.06897	4.3
369.07562	0.8
378.05228	2.3
379.06076	6.8
380.06662	3.1
382.04697	0.6
383.05487	4.3
384.06088	2.7
394.04776	9.4
395.05511	12.6
396.06226	10.6
397.06885	1.9
406.04932	2.1
407.05634	5.0
408.06146	1.3
410.04208	1.1
411.05072	6.4
412.05844	4.8
413.05838	0.8
422.04373	8.4
423.05008	10.7
424.05804	10.5
425.06360	2.6
433.03821	0.8
434.04053	1.9
435.04898	1.7
439.04550	5.2
440.05338	5.5
441.05722	1.1
450.03787	5.5
451.04541	5.8
452.05301	4.1
453.05872	1.4
467.03876	2.8
467.30038	2.5
468.04828	2.2
469.05615	2.7
478.03253	4.9
479.04022	6.6
480.04910	1.6
495.03433	1.7
496.04364	83.7
497.05063	77.6
498.05399	9.1
507.03830	1.1
539.06091	0.9
599.34680	1.3
613.35815	1.4
658.35095	1.8
659.10406	100.0
660.10767	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	658.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.4
61.98700	100.0
63.64687	0.3
70.64448	0.4
70.64785	0.5
74.76392	0.3
74.99691	0.3
78.82949	0.3
78.89459	0.3
78.95770	2.3
96.11610	0.3
98.83079	0.3
107.12208	0.3
107.32358	0.3
120.05328	0.3
152.99518	1.1
169.01404	0.3
180.54068	0.3
200.01028	0.3
201.14915	0.4
209.11816	0.5
211.13428	0.5
215.76549	0.3
225.96837	0.3
293.21280	0.3
382.68707	0.4
383.54282	0.3
521.63458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
61.98702	100.0
70.07049	0.2
71.75463	0.2
74.25035	0.2
78.95771	5.5
96.96882	0.6
127.92488	0.2
152.99469	3.3
153.99869	0.3
166.59224	0.2
195.13850	0.3
197.11801	0.6
207.10144	0.4
209.11803	0.9
210.12178	0.3
211.13432	0.6
214.04819	0.4
225.11269	0.6
227.12827	0.3
244.25323	0.3
277.21790	0.4
293.21191	0.6
294.21426	0.3
295.22824	1.1
296.23206	0.5
362.10965	0.3
363.12305	0.6
409.55630	0.2
431.21988	0.5
432.22491	0.6
435.88531	0.3
447.21719	0.4
658.34442	1.1
659.35583	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	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40953	0.4
54.48039	0.4
57.03318	1.0
59.01241	6.5
61.98698	7.5
63.85057	0.5
71.01254	3.1
71.22703	0.4
77.17723	0.4
79.95585	0.4
82.98016	0.4
85.02852	2.0
87.00743	0.8
88.98644	0.9
89.02306	1.7
93.03334	2.7
95.04872	0.5
96.95875	1.6
101.02301	1.9
104.22320	0.5
108.01985	0.6
109.02823	1.5
111.08048	0.4
113.02320	1.9
116.92822	0.5
121.06499	0.6
122.03616	0.8
122.95840	0.5
123.00739	0.5
123.04402	1.4
124.01513	0.9
125.02361	3.2
135.04430	3.5
136.05193	38.6
137.02341	6.2
137.05659	1.3
137.09633	0.6
139.03877	1.8
145.02815	0.7
148.05164	0.7
149.05995	8.6
150.03127	0.6
150.06767	13.8
150.07997	0.7
151.00354	0.5
151.03873	0.5
151.07408	0.6
155.10696	0.6
161.04465	0.8
162.06779	1.5
163.07523	2.8
164.04620	0.5
164.08321	4.8
165.01796	0.5
165.09109	23.5
166.09444	1.3
167.07024	0.4
169.01318	2.3
171.10173	0.8
173.04459	0.7
175.00319	0.8
175.03883	0.9
177.01859	1.3
179.10701	0.9
181.08492	0.7
183.10092	0.7
185.11752	0.5
189.01846	1.2
190.02609	1.7
191.05569	0.5
205.04971	1.5
209.11722	4.1
210.12227	0.5
211.13362	2.9
227.12828	1.1
230.24495	0.4
265.82925	0.5
267.15961	0.5
272.47165	0.4
275.20193	0.7
289.07236	0.7
312.99768	0.4
313.05621	0.9
329.23291	9.2
341.06662	0.9
373.26025	0.6
416.29117	0.9
431.31598	1.6
432.32248	0.5
433.07840	1.5
434.30432	4.4
448.31848	0.7
449.32642	15.6
450.33029	2.2
451.10388	1.6
476.31229	0.9
477.32281	3.9
478.32761	0.7
494.32507	1.5
495.32944	31.1
496.33246	4.6
537.34137	1.1
621.29370	1.8
625.22668	0.6
657.38568	100.0
658.38959	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.3
59.01249	3.7
61.98693	1.1
65.02670	0.2
68.99663	0.2
70.37035	0.3
70.37426	0.4
71.01255	2.6
73.02814	0.5
75.00736	0.2
78.95792	0.3
79.97142	0.2
80.02540	1.0
81.03329	1.0
83.01250	0.6
83.04888	4.3
84.02050	0.6
85.02830	0.7
87.00741	0.7
89.02303	2.0
95.01280	0.4
95.04897	0.7
95.16548	0.2
97.02808	0.2
97.06492	0.3
99.00701	0.2
101.02324	2.6
108.08903	0.2
108.93723	0.2
109.06477	0.4
111.08054	0.2
113.02318	1.3
118.37804	0.2
119.03368	0.8
123.04420	0.2
125.02325	0.8
125.05975	0.4
125.09624	0.4
135.08023	0.6
137.09570	0.2
138.32919	0.2
143.03455	0.3
145.04948	0.3
161.04454	1.2
163.11200	3.2
163.61072	0.2
164.11504	0.3
165.12775	2.3
167.10696	0.3
167.14346	0.5
171.10210	1.4
175.03909	1.8
179.05533	0.5
181.12309	0.6
181.33000	0.2
183.13831	4.5
191.10672	1.1
193.12268	1.4
199.13461	0.2
209.11771	100.0
210.12114	6.1
211.13332	69.6
212.13684	4.8
227.12845	13.1
227.15175	0.4
228.13133	1.0
235.08197	2.2
249.14890	0.8
253.09265	7.5
254.09572	0.4
369.36121	0.2
385.23990	0.3
403.25021	0.3
421.26031	0.3
445.21124	1.4
447.22345	2.0
448.22824	0.2
621.32739	0.4
639.33710	0.6
657.34216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98737	0.4
55.01764	0.7
55.44675	0.5
57.03325	1.9
58.00469	0.5
59.01250	100.0
60.01581	1.0
61.98705	1.0
71.01252	9.6
71.28520	1.0
71.28868	0.9
72.99171	0.7
75.73016	0.4
83.01252	1.4
85.02818	3.6
87.00741	0.7
89.02319	2.8
95.01276	1.1
95.04907	0.5
99.00752	1.1
99.04390	1.8
101.02323	5.3
109.06475	0.7
111.04384	0.7
113.02359	4.4
115.36273	0.5
119.03384	1.5
123.07997	0.8
137.09619	0.5
138.06747	4.3
153.09113	14.4
159.03009	0.7
161.04471	1.4
163.11195	0.7
165.12813	1.1
166.92375	0.5
189.12808	1.0
207.13869	4.4
209.11777	6.7
225.14935	20.8
225.17174	1.1
226.15184	0.8
227.12839	29.8
228.13181	2.1
251.12744	0.6
267.14941	0.6
269.13977	1.4
287.14975	1.7
309.62137	0.5
369.18927	1.4
387.20163	0.7
429.20975	1.2
439.47589	0.5
639.33740	5.1
640.34583	1.1
657.34875	93.3
658.35211	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	657.3408
Annotation	Dianthin B
Peak:m/z	Relative Intensity
57.48571	0.3
59.01247	1.1
61.98699	3.0
62.96280	0.4
69.03341	0.4
69.80329	0.3
71.01236	0.6
71.04882	0.3
71.50060	0.8
78.95776	100.0
80.02552	1.7
81.03331	0.8
82.58503	0.3
83.04901	4.9
84.02036	1.2
88.50506	0.4
95.04913	1.1
96.96835	10.2
99.96515	0.4
109.06484	0.4
134.98454	1.4
135.07991	0.4
149.70973	0.3
150.97987	0.6
152.99495	60.2
153.99834	0.8
163.11212	5.0
164.11456	0.4
165.12807	2.2
171.00558	1.0
179.14339	0.4
181.12262	0.8
191.10640	0.9
195.13823	3.4
205.12222	0.5
209.11775	67.2
210.12099	4.0
211.13297	2.7
212.13553	0.5
223.13274	1.9
224.66997	0.4
227.12846	9.5
228.13303	0.7
253.09404	0.4
265.21866	0.4
275.20151	2.1
293.21225	16.5
293.24533	0.9
294.21466	1.6
363.12134	38.3
364.12485	3.6
381.13138	8.4
382.13574	0.7
429.20413	11.6
429.25806	0.8
430.20877	0.9
447.21539	3.5
455.92023	0.5
639.33234	0.7
657.34052	50.0
658.34338	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	657.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
61.98701	1.7
69.62846	0.4
70.16734	0.9
70.17087	1.7
73.78407	0.4
78.86120	0.4
78.95773	100.0
81.03326	0.7
83.04890	1.8
84.02057	0.6
87.98635	0.4
96.96841	8.1
111.08076	0.4
113.09584	0.4
117.05540	0.4
124.03906	0.5
134.98418	2.3
150.97882	0.6
152.99484	56.5
153.99814	0.7
163.11192	1.5
165.12767	0.9
166.13074	0.5
171.00536	1.0
179.14420	0.6
181.12308	0.7
195.13846	6.7
196.14430	0.8
209.11766	27.1
210.12129	1.5
211.13280	1.9
223.13342	4.2
227.04434	0.5
227.12833	5.3
228.13469	0.8
256.13104	0.7
275.20184	2.6
293.21216	27.5
294.21494	2.6
303.39630	0.5
360.13339	0.7
363.12125	12.8
364.12622	1.5
376.44873	0.5
381.13181	1.9
429.20435	28.0
430.20779	3.1
447.21466	10.3
448.21951	1.4
588.26447	0.6
657.34039	52.2
658.34454	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	657.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.5
70.19971	1.7
71.01242	1.4
72.23222	0.4
74.38538	0.4
79.31149	0.4
79.84457	0.4
81.03294	0.7
83.01260	0.5
85.02829	1.3
93.03323	0.6
94.69016	0.4
95.01243	1.0
101.02331	1.1
102.73614	0.4
103.28256	0.4
104.96573	0.4
108.02045	52.2
109.02181	1.0
109.02847	16.7
110.03188	0.7
113.02346	0.7
114.64918	0.4
116.11175	0.4
121.02818	0.8
123.00758	0.7
123.04435	0.6
126.68903	0.4
133.02844	0.9
135.04387	1.2
151.00217	0.5
151.03908	1.3
152.01047	43.9
153.01834	17.1
163.03909	1.1
165.01871	1.1
181.05031	0.4
191.05518	0.9
194.04945	0.5
315.07199	100.0
316.07574	6.8
555.85657	0.4
626.72235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12753	0.6
59.01246	1.5
63.02267	1.9
64.10976	0.6
65.00190	2.1
67.01794	0.9
71.01254	2.7
72.99164	0.8
75.00744	1.4
79.76774	0.6
83.01260	2.0
83.08190	0.6
84.81726	0.6
85.02817	1.3
87.00751	0.8
89.02320	1.2
89.03857	0.8
91.01756	1.6
91.18408	0.6
93.03326	1.3
94.17636	0.6
95.01270	0.9
96.95892	0.6
103.00220	0.8
107.01276	5.0
109.02848	7.0
113.02305	1.6
121.02843	7.4
123.00783	0.7
123.04391	0.8
125.02356	3.4
128.59157	0.7
133.02843	2.1
135.00858	0.7
135.04417	13.6
137.02338	1.1
139.03909	1.2
148.01553	0.7
149.02324	2.8
151.00281	24.5
151.03862	1.0
152.00809	0.5
159.99648	0.6
161.02345	1.7
163.00291	2.8
163.03923	1.5
169.01385	1.7
173.04378	0.6
175.03941	0.7
177.01852	10.7
178.02341	0.7
178.99786	11.1
183.02742	0.6
183.04427	1.3
185.06030	0.7
187.03935	1.5
189.01875	1.7
190.02574	0.8
191.05495	1.3
201.05560	0.9
205.01337	2.4
211.03979	1.6
221.04459	0.8
227.03378	1.4
229.04982	1.1
243.02888	1.0
245.04576	2.2
255.02864	3.1
256.03549	1.4
257.04590	1.0
268.03531	0.6
271.02142	0.7
273.04092	1.6
283.02390	1.2
289.06808	0.7
299.05655	0.7
301.03522	100.0
302.03787	7.9
321.40750	0.6
327.05087	22.8
328.05478	2.2
477.06717	42.0
478.06927	5.3
481.07751	1.0
503.02127	0.7
503.08270	4.1
657.11554	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	657.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51978	0.6
59.01243	2.3
63.02256	2.2
65.00189	3.8
71.01254	3.8
71.50870	0.8
74.36839	0.6
74.98985	0.7
75.00738	0.7
77.35196	0.6
83.01267	3.4
84.44134	0.7
85.02810	1.9
90.63007	0.7
93.03323	1.2
99.00808	0.9
107.01273	8.3
109.02825	4.0
113.02317	5.0
121.02843	7.9
123.04385	2.0
125.02351	3.4
135.04425	5.6
137.02332	5.2
139.03934	1.2
149.02274	1.4
151.00266	33.4
151.03926	1.8
152.00957	1.3
153.01834	0.8
161.02316	2.7
163.00240	1.8
163.03952	1.2
164.00987	1.3
165.01920	1.1
169.01300	1.7
175.02408	1.7
175.03842	0.9
177.01843	1.1
178.99783	15.4
179.03362	1.9
183.04362	0.7
187.03830	1.4
190.02527	1.1
191.05518	0.9
193.01364	1.2
193.03394	0.7
201.05396	0.9
203.03418	0.7
203.07010	1.5
205.04967	2.2
211.03928	1.5
227.03494	1.5
229.05011	1.9
237.66985	0.7
243.03021	0.9
245.04442	1.6
245.08160	2.1
255.02882	2.3
257.04449	1.3
271.02463	2.1
273.03955	2.1
283.02460	1.5
284.03635	0.8
285.04147	0.7
289.07150	6.6
290.07574	0.8
297.04102	0.7
299.01965	1.5
300.02640	3.3
301.03506	100.0
302.03860	8.7
313.03430	3.5
367.10376	1.7
451.12476	2.2
463.06705	26.2
464.07007	4.3
477.06604	7.4
481.07776	16.8
482.08047	2.7
495.12912	0.9
639.09851	1.3
657.09174	3.9
657.19452	2.1
658.10352	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	656.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98702	100.0
62.98390	0.2
74.73146	0.2
78.95775	5.5
96.96846	0.5
97.02824	0.2
98.20570	0.5
106.76714	0.2
117.01798	0.2
125.02373	0.2
152.99495	3.2
153.00607	0.3
163.11238	0.2
195.13826	0.2
199.13377	0.3
209.11783	1.9
211.13335	0.7
225.11319	0.3
227.12901	0.3
229.36957	0.2
293.21326	1.1
294.21484	0.2
316.78961	0.2
363.11975	1.1
370.89954	0.2
374.01334	0.2
381.13104	0.3
396.13748	0.2
429.20578	0.7
430.21082	0.4
447.21429	0.3
518.02606	0.2
522.68506	0.2
613.25537	0.2
656.33313	0.8
657.34369	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	657.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91063	1.2
57.03312	3.3
59.01247	7.6
61.98702	3.6
63.02256	5.9
65.00195	12.7
71.01257	7.2
71.50748	1.6
72.99147	2.7
83.01250	8.9
85.02811	3.3
87.00740	2.7
88.98630	1.1
89.02303	2.6
89.03835	1.6
91.21397	1.1
91.44746	1.0
93.03333	2.2
95.01273	3.0
96.95887	2.7
97.02776	1.2
101.02279	1.8
107.01265	20.6
107.04899	2.8
109.02822	10.4
111.00784	1.6
113.02327	3.3
115.00214	1.6
116.92744	10.7
117.03332	2.2
119.04884	1.2
120.99535	2.8
121.02826	7.7
123.00725	3.8
123.04390	9.2
124.01578	1.7
125.02336	19.7
126.06270	1.1
130.94188	1.1
133.02817	3.6
134.03615	7.3
135.00755	2.0
135.02861	2.6
135.04413	15.4
137.02339	3.7
138.03075	1.8
145.02867	5.8
147.04422	2.3
149.02365	2.1
149.05948	2.3
150.03067	3.6
151.00267	67.0
151.03868	6.3
152.00835	2.6
153.01753	1.3
153.05475	3.2
157.02808	1.4
159.04396	2.8
161.02325	9.4
162.03014	1.2
163.00250	12.1
163.03964	5.9
164.01036	3.1
165.01860	2.9
166.02446	1.4
167.03424	2.7
169.01315	8.1
173.02325	3.6
174.03154	1.7
175.02425	2.0
175.03868	6.3
177.01836	14.5
177.05464	2.2
178.99771	34.4
180.00018	1.6
185.02330	4.0
185.05992	2.1
187.03877	1.9
189.01823	11.1
189.05440	2.2
190.02621	2.5
190.99808	3.8
191.03407	4.2
191.05469	3.6
192.00517	6.2
193.01286	1.3
193.05005	2.8
201.01814	7.7
201.05698	1.6
203.03447	7.8
203.06944	1.4
205.05005	1.3
213.01884	2.3
213.05473	2.0
217.01367	3.5
219.02905	1.7
221.04546	1.2
222.01768	1.3
225.05659	1.3
229.01364	10.6
229.04758	1.4
230.01816	2.0
231.02893	5.0
231.06528	3.2
241.05002	4.6
243.02992	1.4
245.00912	2.0
245.04570	1.7
245.08031	2.6
249.04002	4.0
253.04948	2.1
255.03046	1.6
256.03799	1.6
257.00882	11.2
257.04599	2.2
258.01517	4.1
269.04437	4.9
270.05157	1.9
271.06097	1.2
275.01950	36.1
276.02328	2.5
279.06863	1.3
283.99570	3.0
285.04028	5.4
287.05627	1.6
289.07141	6.6
293.94690	1.1
297.03793	2.0
299.05606	1.4
299.99026	5.0
300.02679	5.5
300.05881	1.8
300.99908	100.0
302.00201	6.6
313.03455	3.3
314.04227	4.2
315.05106	3.2
323.05417	5.5
327.04919	1.8
328.05542	1.3
331.08240	18.0
337.07059	1.8
341.02979	19.2
341.06741	3.1
342.03311	1.6
343.08228	11.9
346.03256	2.8
359.04178	2.8
419.07639	2.5
437.08759	70.3
438.09134	6.9
463.06686	5.3
477.12131	8.0
481.07666	30.0
482.08142	3.5
495.12985	2.6
517.06128	3.5
535.07202	3.4
613.12292	3.4
657.10907	69.1
657.23029	5.8
658.11108	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	656.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.2
61.98699	100.0
62.98382	0.2
70.91492	0.2
71.01254	0.2
73.02832	0.1
85.02822	0.1
89.02361	0.1
101.02323	0.2
103.05393	0.1
108.12971	0.1
109.02898	0.1
110.98611	0.1
113.02312	0.2
114.83220	0.1
119.50646	0.1
119.97921	0.1
125.02364	0.2
135.04388	0.1
136.23405	0.1
137.02345	0.1
161.02441	0.1
164.04578	0.1
175.00348	0.2
190.02583	0.6
193.83681	0.1
205.04990	0.5
209.11865	0.1
223.06174	0.2
227.12801	0.4
254.13078	0.1
262.02805	0.1
263.02969	0.1
287.15048	0.3
288.15274	0.1
300.02774	0.1
308.03244	0.4
309.03702	0.4
310.04404	0.2
314.04535	0.1
315.05161	0.1
336.45627	0.1
392.43567	0.1
398.00858	0.1
472.09830	0.2
473.50049	0.1
477.10623	0.1
547.12640	0.2
593.26172	0.7
594.26526	0.2
656.21106	0.6
656.33765	0.2
657.23462	0.1
657.34900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86053	0.2
59.01258	0.5
61.98701	100.0
71.01315	0.2
78.95774	5.5
83.04900	0.3
96.96834	0.4
98.20561	0.5
101.02253	0.2
107.25137	0.2
152.99483	3.2
163.11159	0.3
169.12262	0.2
198.30093	0.2
207.10214	0.2
208.10612	0.3
209.11757	2.1
210.12234	0.2
211.13416	1.0
225.11299	0.4
227.12946	0.4
230.11295	0.2
293.21194	1.1
295.22827	0.3
300.99963	0.2
307.80133	0.2
361.10748	0.3
363.12115	1.1
381.13333	0.4
382.56171	0.2
429.20602	0.6
445.20486	0.3
501.17511	0.2
613.37695	0.2
636.42578	0.3
656.33362	0.7
657.34045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32692	0.2
53.81324	0.2
57.03316	0.5
59.01250	2.6
61.98690	0.3
63.28528	0.2
67.66410	0.2
70.29092	0.1
71.01254	2.0
71.38021	0.2
71.38372	0.3
71.86468	0.2
73.02811	0.4
74.70564	0.1
79.05380	0.2
80.02545	0.9
81.03335	1.1
83.01249	0.4
83.04899	4.7
84.02029	0.3
85.02827	0.7
87.00752	0.5
89.02310	1.3
93.03325	0.2
95.01249	0.2
95.04901	0.6
97.02832	0.2
97.06432	0.2
101.02315	1.7
102.34111	0.2
105.73801	0.2
108.02075	0.2
109.02810	0.3
109.06484	0.5
113.02340	0.8
117.60137	0.2
119.03358	0.2
120.38603	0.2
121.06496	0.3
122.03633	0.2
123.08025	0.2
125.05948	0.4
125.09592	0.7
135.04466	0.9
135.08087	0.8
135.36357	0.2
136.05196	11.6
137.02324	0.4
137.05719	0.2
147.08038	0.2
149.05984	2.6
150.06766	2.6
160.65314	0.2
161.04445	0.8
162.06773	0.6
163.07417	0.3
163.11195	3.2
164.08315	1.4
165.09116	6.4
165.12761	2.0
166.09439	0.4
171.10159	1.5
181.12306	0.5
185.11737	0.6
191.10745	1.1
192.07567	0.2
203.14404	0.3
207.10197	0.3
209.11769	100.0
210.12103	6.5
211.13315	0.4
221.11769	0.2
227.12828	5.6
228.13246	0.3
235.08215	1.1
247.13435	1.4
249.14893	0.5
253.09250	4.4
254.09547	0.3
265.14725	0.3
271.02396	0.4
281.21179	0.3
299.01944	0.4
314.04248	0.7
315.05054	0.7
324.02747	0.5
325.03522	0.3
325.23883	0.2
327.21683	1.5
331.05957	0.2
383.22379	0.3
401.23364	0.6
414.27844	0.4
419.24374	0.6
429.30002	0.8
432.28781	1.4
433.29108	0.2
445.20782	1.3
446.30673	0.3
447.31113	4.2
448.31534	0.6
461.10818	1.0
474.30023	0.2
475.30511	0.9
492.30792	0.5
493.31686	8.4
494.31906	1.4
535.33112	0.2
538.27753	0.2
585.90338	0.2
615.32343	0.2
619.32013	0.2
637.32190	2.1
638.32739	0.6
655.36981	26.0
656.37372	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	655.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
59.01252	7.2
61.98703	12.7
64.72593	0.4
67.01756	0.5
69.03326	0.6
71.01254	4.9
71.05302	0.4
71.23202	0.8
71.28868	0.4
72.99193	0.8
73.02811	2.0
78.95776	10.7
80.40668	0.5
81.03306	0.5
83.01237	1.0
83.04887	0.9
85.02834	2.6
87.00753	1.7
87.04378	1.0
88.98689	0.5
89.02317	1.7
93.03332	4.1
95.01274	0.9
95.04902	0.9
96.95889	1.4
96.96841	0.9
97.02870	0.4
97.06471	0.8
99.00784	0.6
99.04406	1.0
101.02320	2.6
107.04925	0.4
108.02039	0.8
109.02847	1.7
109.06496	0.8
111.08051	0.9
113.02329	1.5
113.05946	0.4
119.03407	1.0
119.04929	0.7
120.99542	0.5
121.06479	1.0
122.03683	0.9
123.04410	1.7
123.08073	0.4
125.02345	2.0
125.09621	0.7
133.04939	0.9
135.04440	3.2
135.08044	0.7
136.05203	31.0
137.02344	6.4
137.05797	0.8
137.09633	0.9
143.07040	0.7
147.08061	0.6
148.05171	0.9
149.02353	0.5
149.05984	10.3
150.06776	32.0
151.06023	0.5
151.07172	1.7
152.01025	0.5
152.99492	6.2
153.05510	0.5
153.09116	0.9
161.02370	0.8
161.04480	1.3
162.06766	2.0
163.07552	6.2
163.11224	1.1
164.08366	6.0
165.05498	0.6
165.09123	17.5
165.12796	0.7
166.09433	0.6
167.03421	0.6
169.01338	0.8
171.10201	1.7
174.03128	0.6
175.02374	0.5
175.03911	1.4
176.08386	0.6
177.01877	0.8
178.09886	2.0
179.07120	0.8
179.10724	8.7
181.08723	0.6
181.31760	0.4
207.10141	0.6
209.11771	18.8
210.12122	1.6
211.13258	0.4
222.03101	0.6
227.12831	4.6
235.08282	0.6
235.13390	0.5
249.18489	1.3
253.09250	0.6
263.19962	0.5
271.02234	0.4
279.02997	0.9
295.10315	2.0
297.20734	4.0
300.99911	0.6
307.02429	0.6
308.03110	0.5
309.20715	0.8
311.22324	1.0
313.20245	5.3
314.20831	0.6
317.19519	0.6
324.02753	3.0
325.03256	4.0
326.03671	2.9
327.04010	1.6
327.21805	1.9
333.55307	0.5
350.24426	0.5
355.12335	1.1
363.11981	2.1
373.25949	1.1
381.13129	0.9
395.14828	1.9
396.15463	0.4
413.30975	0.5
414.27750	1.2
416.29541	0.9
429.29944	2.6
430.31018	0.6
431.31781	1.6
432.28723	3.6
445.29736	1.7
446.30496	1.2
447.31168	4.4
448.31589	0.6
457.29642	0.5
462.29901	0.8
463.30646	4.1
464.30905	0.6
474.30139	0.8
475.30573	6.7
476.30798	0.9
492.30829	3.7
493.31509	29.8
494.31677	3.7
591.25720	3.3
623.28131	3.3
624.28973	0.7
637.33667	1.5
655.19482	3.7
655.37067	100.0
656.37427	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	655.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67221	0.5
53.14418	0.5
57.03310	0.9
59.01250	4.0
61.98699	2.5
62.96282	0.5
69.03321	0.8
70.06432	2.3
71.01246	0.6
71.04877	0.5
72.48481	0.5
78.95774	100.0
93.03397	0.6
96.96835	8.8
101.45801	0.6
113.09604	1.5
117.03288	1.2
119.04909	0.7
123.96735	0.6
125.09596	0.6
134.98427	0.8
145.02869	3.7
149.09851	0.5
150.97969	0.8
152.99492	67.9
153.99828	1.3
167.10666	1.5
177.12791	0.8
179.10701	0.7
179.14352	3.0
195.13831	15.9
196.14185	1.2
205.12248	4.9
223.13345	37.6
224.13756	2.9
273.08658	0.5
277.21671	8.2
278.22122	0.9
295.22769	40.3
296.23120	4.1
359.12613	26.0
360.12939	2.1
377.13699	6.3
378.14114	0.8
430.00021	0.7
431.21979	29.1
432.22369	3.4
449.23013	10.9
450.23520	1.5
617.38416	5.2
618.38910	1.2
619.38647	1.6
655.36127	34.9
656.36261	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	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67733	0.6
57.03323	3.8
57.77279	0.7
59.01251	85.7
60.01577	0.8
61.98704	39.4
65.00198	5.4
69.03342	0.7
69.20835	6.3
71.01253	13.6
72.99185	1.7
73.02820	8.3
74.98967	0.8
75.00773	0.7
81.03316	0.7
83.01253	5.3
83.04903	1.7
85.02821	4.0
87.00742	1.8
89.02309	4.3
93.03339	1.4
95.01278	1.4
96.95879	0.7
97.02840	1.5
97.06483	1.4
99.00746	1.2
99.04399	2.2
99.72181	0.7
101.02318	7.2
107.01283	9.1
108.02081	1.0
108.71417	0.5
109.02842	1.6
109.06487	1.1
110.99446	0.6
113.02325	4.6
116.92767	0.8
119.03416	1.3
121.02850	0.6
121.06545	1.1
122.60352	0.7
123.04435	0.8
125.02339	3.4
125.50986	0.7
133.02882	1.2
134.03601	0.7
135.04411	20.9
135.05450	1.3
135.07954	0.8
136.04814	1.2
137.02345	2.6
137.09654	0.8
138.03206	0.7
138.06764	2.8
139.07463	1.3
141.95912	0.6
148.65602	0.7
149.02325	1.1
149.06006	1.5
151.00278	32.5
151.06003	0.6
151.07538	2.3
152.00647	1.4
152.08350	3.1
153.09126	9.9
154.09451	1.0
158.15604	0.6
161.02351	2.2
161.04477	1.5
161.09612	0.7
163.03918	0.8
163.11194	2.5
165.01865	1.3
165.09126	1.9
165.12775	1.5
165.85457	0.6
169.01344	1.2
172.10428	0.7
174.03110	1.0
175.00270	3.1
175.03891	3.6
177.77994	0.6
179.05478	0.6
179.10738	0.8
182.41219	0.6
183.02846	0.8
187.11281	1.0
189.12685	0.7
190.02620	2.2
191.05544	0.9
193.01311	0.9
195.06541	0.7
205.05025	2.4
205.12282	7.1
207.13853	3.2
209.11778	20.4
210.12115	1.7
223.06024	1.2
223.13354	4.7
225.11449	0.9
225.14932	8.5
227.12843	37.0
228.13197	1.7
251.12845	1.8
252.41873	0.6
253.09320	0.6
267.16129	1.0
269.04614	0.7
269.13956	6.5
270.14359	0.8
271.02441	0.8
274.42767	0.7
285.17035	1.7
287.05618	22.8
287.15005	24.6
288.05954	2.7
288.15314	2.7
301.00015	1.3
301.06970	1.0
313.11401	2.1
313.23831	0.9
327.04987	1.1
329.16083	2.1
341.27267	0.9
359.16965	2.3
359.28003	11.9
360.28445	1.3
367.10535	4.2
367.17538	2.0
369.80389	0.8
385.18869	0.9
387.20154	0.7
389.18115	6.7
405.52386	0.7
409.18500	1.0
449.11029	0.8
449.20276	14.6
450.20319	1.1
493.31796	0.8
517.15570	0.7
566.21191	1.1
637.32129	5.6
638.33606	1.1
655.15790	2.9
655.33362	100.0
656.33624	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	655.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98748	0.1
55.01761	0.2
57.03334	0.1
59.01252	1.8
59.05262	0.1
61.48778	0.1
61.98701	0.1
62.13816	0.1
63.97245	0.1
65.54556	0.1
66.45714	0.1
69.03323	0.2
71.00856	0.1
71.01250	1.9
71.04885	0.1
72.99175	0.2
73.02810	0.5
80.02541	0.5
80.44070	0.1
81.03323	0.5
83.01253	0.3
83.04890	1.8
84.02043	0.2
85.02825	0.4
87.00745	0.5
89.02326	1.1
95.01241	0.1
95.04907	0.2
96.36421	0.1
97.02814	0.2
97.06442	0.1
98.20670	0.2
101.02318	1.6
109.06425	0.1
113.02339	0.9
119.03390	0.5
125.02338	0.1
125.05973	0.2
129.01793	0.1
133.04994	0.2
135.08061	0.2
143.03410	0.2
145.04973	0.4
161.04483	0.6
163.11194	1.4
165.12735	1.0
179.05449	0.2
181.12233	0.4
191.10718	0.4
207.10107	0.3
209.11761	100.0
210.12096	6.3
211.13402	0.5
222.48557	0.1
225.11241	0.3
227.12823	5.0
228.13110	0.2
234.96861	0.1
235.08188	3.6
236.08371	0.2
253.09259	5.0
254.09752	0.2
445.20752	0.8
446.21234	0.1
468.35306	0.1
637.32068	0.2
655.33575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03326	2.2
58.00467	0.5
59.01250	100.0
60.01582	1.2
61.98701	19.1
69.03323	0.9
69.57619	1.1
69.58032	1.5
71.01252	13.7
72.99191	0.6
73.02819	10.5
75.00753	1.0
81.03318	0.5
83.01255	5.1
83.04886	0.5
85.02822	4.2
85.35516	0.5
87.00739	3.2
88.00293	0.4
88.98717	0.4
89.02311	4.3
93.03336	1.0
94.16010	0.4
95.01260	1.2
97.02818	1.2
97.06464	0.8
99.00756	0.6
99.04417	2.4
101.02322	8.7
107.04855	0.4
109.06458	1.2
113.02337	5.5
116.92721	0.5
119.03400	1.4
121.02827	0.8
123.04376	1.0
123.08015	0.5
125.02332	3.5
131.03314	0.6
134.46263	0.4
135.04416	1.7
137.02341	1.1
143.03398	0.7
145.02838	0.7
149.02316	0.9
149.04503	0.5
153.01942	0.5
153.09113	1.0
155.03444	0.5
161.02354	1.3
161.04434	1.6
163.11221	0.7
165.01834	1.7
165.12741	1.9
167.03445	0.8
167.10669	1.4
168.23721	0.4
169.01366	0.7
174.01663	0.4
174.03107	0.6
175.03882	1.0
177.01810	0.4
179.03349	0.6
179.07028	0.5
187.11082	0.7
189.12889	0.5
190.02615	0.8
191.05540	1.2
195.06642	0.5
205.04944	0.9
205.12256	1.9
207.13823	7.7
209.11758	11.4
210.12242	0.5
223.06065	1.0
223.13274	0.5
225.14905	15.3
226.15323	0.7
227.12833	55.2
228.13191	3.6
233.11765	0.5
239.16516	0.9
251.12924	2.5
269.13919	13.9
270.14240	1.2
271.02197	0.4
279.10696	0.9
287.14990	85.9
288.15356	6.0
293.13846	1.6
294.68546	0.5
297.11981	1.5
300.89334	0.4
308.03082	1.0
309.03888	0.5
311.14993	1.6
329.16058	6.4
339.13120	0.6
341.16138	0.7
355.04837	0.5
359.17102	7.4
360.17648	0.6
367.11606	0.5
371.16971	1.0
389.18173	24.8
390.18558	2.7
431.19073	1.8
435.10672	1.9
436.11081	0.6
449.20261	49.7
450.20651	5.5
487.13159	0.5
503.13882	0.6
529.14911	0.7
637.31958	1.4
655.33374	58.7
656.22345	0.8
656.33649	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	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
58.27794	0.3
59.01248	3.5
61.98702	7.0
64.23289	0.4
67.87217	0.3
69.03320	0.7
69.19346	0.6
69.19687	4.0
71.01254	4.3
72.99174	0.4
73.02814	1.5
80.02518	0.4
81.03326	2.6
83.01245	0.5
83.04886	2.2
83.91469	0.3
85.02814	2.8
87.00758	0.7
88.98703	1.8
89.02319	1.6
93.03338	2.0
94.56274	0.3
95.01258	2.3
95.04942	0.3
96.95903	0.4
97.02843	0.5
99.00748	0.5
101.02335	2.3
102.51626	0.3
104.22131	0.4
107.04915	0.7
108.02055	56.5
109.02849	36.3
109.06467	0.5
110.03123	0.9
113.02322	1.5
121.02865	0.9
123.00733	2.0
123.04403	1.3
125.02332	0.9
125.09583	0.4
133.02777	0.5
134.03680	0.5
135.04407	0.8
135.08014	0.6
137.02356	2.6
139.03928	0.4
149.02176	0.4
150.06758	1.9
151.03951	0.7
152.01059	55.9
153.01848	19.3
153.05434	0.9
154.02176	0.4
161.02396	0.5
161.04445	1.0
163.03839	0.9
163.07603	0.4
163.11229	2.0
165.01892	0.9
165.09106	0.4
165.12769	1.2
171.10197	1.4
175.03963	1.7
177.01743	0.5
179.03531	0.4
179.10719	1.3
181.04976	1.3
181.12213	0.4
185.11826	1.0
190.02617	0.7
191.10716	0.8
197.97612	0.3
205.05028	0.5
207.10220	0.5
209.11769	72.5
210.12091	4.0
211.13321	0.8
223.13158	0.5
227.12836	4.9
235.08206	1.1
247.13266	0.8
249.14934	0.9
253.09273	4.1
287.09293	0.7
289.67807	0.4
295.10999	0.5
315.07266	0.5
327.25427	3.7
331.05789	0.7
331.24954	0.4
339.25430	1.1
355.24921	0.4
357.26456	14.6
358.26855	1.5
359.27914	0.8
367.10480	0.5
368.07227	0.4
373.25876	0.5
401.23337	1.3
419.24643	0.7
445.20337	0.7
461.19928	0.4
493.35477	4.5
538.75403	0.4
579.22723	0.6
623.21796	0.5
637.32397	2.8
638.32196	0.5
655.33325	100.0
656.33698	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67733	0.6
57.03323	3.8
57.77279	0.7
59.01251	85.7
60.01577	0.8
61.98704	39.4
65.00198	5.4
69.03342	0.7
69.20835	6.3
71.01253	13.6
72.99185	1.7
73.02820	8.3
74.98967	0.8
75.00773	0.7
81.03316	0.7
83.01253	5.3
83.04903	1.7
85.02821	4.0
87.00742	1.8
89.02309	4.3
93.03339	1.4
95.01278	1.4
96.95879	0.7
97.02840	1.5
97.06483	1.4
99.00746	1.2
99.04399	2.2
99.72181	0.7
101.02318	7.2
107.01283	9.1
108.02081	1.0
108.71417	0.5
109.02842	1.6
109.06487	1.1
110.99446	0.6
113.02325	4.6
116.92767	0.8
119.03416	1.3
121.02850	0.6
121.06545	1.1
122.60352	0.7
123.04435	0.8
125.02339	3.4
125.50986	0.7
133.02882	1.2
134.03601	0.7
135.04411	20.9
135.05450	1.3
135.07954	0.8
136.04814	1.2
137.02345	2.6
137.09654	0.8
138.03206	0.7
138.06764	2.8
139.07463	1.3
141.95912	0.6
148.65602	0.7
149.02325	1.1
149.06006	1.5
151.00278	32.5
151.06003	0.6
151.07538	2.3
152.00647	1.4
152.08350	3.1
153.09126	9.9
154.09451	1.0
158.15604	0.6
161.02351	2.2
161.04477	1.5
161.09612	0.7
163.03918	0.8
163.11194	2.5
165.01865	1.3
165.09126	1.9
165.12775	1.5
165.85457	0.6
169.01344	1.2
172.10428	0.7
174.03110	1.0
175.00270	3.1
175.03891	3.6
177.77994	0.6
179.05478	0.6
179.10738	0.8
182.41219	0.6
183.02846	0.8
187.11281	1.0
189.12685	0.7
190.02620	2.2
191.05544	0.9
193.01311	0.9
195.06541	0.7
205.05025	2.4
205.12282	7.1
207.13853	3.2
209.11778	20.4
210.12115	1.7
223.06024	1.2
223.13354	4.7
225.11449	0.9
225.14932	8.5
227.12843	37.0
228.13197	1.7
251.12845	1.8
252.41873	0.6
253.09320	0.6
267.16129	1.0
269.04614	0.7
269.13956	6.5
270.14359	0.8
271.02441	0.8
274.42767	0.7
285.17035	1.7
287.05618	22.8
287.15005	24.6
288.05954	2.7
288.15314	2.7
301.00015	1.3
301.06970	1.0
313.11401	2.1
313.23831	0.9
327.04987	1.1
329.16083	2.1
341.27267	0.9
359.16965	2.3
359.28003	11.9
360.28445	1.3
367.10535	4.2
367.17538	2.0
369.80389	0.8
385.18869	0.9
387.20154	0.7
389.18115	6.7
405.52386	0.7
409.18500	1.0
449.11029	0.8
449.20276	14.6
450.20319	1.1
493.31796	0.8
517.15570	0.7
566.21191	1.1
637.32129	5.6
638.33606	1.1
655.15790	2.9
655.33362	100.0
656.33624	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	655.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07435	0.3
51.79160	0.3
57.03316	0.8
59.01254	3.7
59.53378	0.4
61.98696	2.4
63.02256	0.6
65.00190	1.2
69.26070	3.8
71.01245	2.5
72.99171	1.0
73.02835	0.6
75.00747	1.2
81.03281	0.4
83.01250	1.4
85.02837	0.9
87.00749	0.9
88.98680	0.9
89.02321	1.0
91.01762	0.4
91.87704	0.3
93.03344	0.9
95.01290	0.8
96.95869	1.0
97.02843	0.7
99.00734	0.5
99.04397	0.4
101.02311	1.4
107.01279	2.7
109.02882	1.8
109.03510	0.4
111.00776	0.7
111.04454	0.5
112.36044	0.3
113.02330	1.4
119.03370	0.5
119.04919	1.3
121.02840	0.9
123.00771	0.7
123.04438	0.7
124.01547	2.6
125.02327	3.3
126.14316	0.4
133.02826	1.9
134.03606	1.0
135.00763	0.7
135.02908	0.4
135.04405	1.7
136.01527	1.1
137.02359	3.7
139.00284	0.6
145.02826	0.5
148.01588	0.6
149.02348	1.5
149.05942	0.6
150.03143	0.7
150.99133	0.7
151.00267	7.8
151.03899	0.9
152.01086	1.9
153.01831	0.8
153.05461	0.3
159.04385	0.9
160.01559	0.8
161.02373	3.7
161.04408	0.4
163.00253	1.9
163.03908	1.6
164.01030	2.7
164.04671	1.1
165.01852	3.0
165.05473	0.7
169.01317	1.3
173.02379	1.0
173.04436	0.4
174.03157	0.8
175.03873	2.1
177.01913	0.8
178.99780	7.2
179.03371	0.9
180.00175	0.6
180.04254	2.0
185.02428	0.6
186.03122	0.5
187.03957	0.6
189.01801	0.8
189.05508	0.5
189.09137	0.5
190.02681	1.1
191.03345	0.6
191.05496	1.0
192.00616	1.1
193.01350	2.1
193.04985	0.8
195.06592	3.7
198.03235	0.4
199.03850	0.8
203.03407	1.6
204.04236	0.8
205.05035	0.9
206.02246	0.4
208.03757	1.8
213.01903	0.8
214.02652	9.2
215.03351	1.7
221.04456	1.1
223.06046	4.4
227.03503	1.6
227.12752	0.8
229.01279	0.6
231.02870	0.7
232.03706	0.7
241.01311	0.7
242.02164	6.6
243.02962	5.7
244.03586	0.5
255.02928	0.6
259.02454	8.5
260.03000	0.7
267.12448	0.5
269.98944	0.7
270.01666	7.4
271.02463	46.6
272.02811	4.0
279.03055	0.4
279.10886	1.2
283.10620	0.4
287.01965	29.3
287.14935	1.4
288.02444	3.8
289.03244	0.7
289.07129	0.4
295.02390	0.6
297.04196	0.7
297.11832	2.5
298.98450	0.5
299.01956	0.9
299.99094	1.5
300.02679	0.8
300.99768	1.8
301.03235	0.8
315.01517	2.9
315.04861	0.6
316.02213	100.0
317.02814	19.3
318.03214	0.7
323.02023	1.9
324.02469	0.6
330.04056	0.5
331.04602	1.8
339.12701	0.7
357.26282	0.6
375.27505	5.7
383.03259	0.4
387.28680	0.5
431.18875	0.4
433.15018	1.7
443.06274	0.6
447.05801	0.7
448.05591	0.4
461.07483	0.5
479.08310	24.1
480.08502	2.5
493.09778	1.5
655.13055	54.4
655.24359	2.1
655.35413	1.3
656.13367	10.7
656.24799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73249	0.4
57.03321	0.5
59.01254	2.6
61.98691	0.7
65.00182	0.7
69.63663	1.1
69.64079	1.6
69.76299	0.4
71.01250	3.2
72.99178	0.7
73.02810	0.5
75.00742	0.9
83.01231	0.4
85.02822	1.6
87.00745	0.5
89.02315	0.7
93.03353	1.4
95.01226	0.4
96.95878	0.7
99.00750	0.5
101.02299	0.8
107.01278	0.9
108.02066	0.6
108.96829	0.4
109.02840	2.9
113.02335	1.9
119.04942	0.5
121.02847	4.6
123.00760	0.7
123.04402	0.4
124.01538	0.6
125.02338	3.2
133.02815	1.0
135.04413	1.6
137.02315	0.7
139.03929	0.6
143.04921	0.5
147.04533	0.7
149.02383	1.1
149.05890	0.6
151.00293	5.0
161.02315	1.9
163.00258	1.1
163.03896	0.8
164.01050	0.4
165.01927	0.5
169.01302	0.9
169.70374	0.4
174.03175	2.4
175.00272	0.5
175.02388	1.0
175.03773	0.7
177.01868	1.7
178.99834	2.3
185.02361	0.5
186.03087	0.5
190.02628	0.4
191.03464	1.1
191.05435	0.6
195.06540	0.4
197.02373	0.4
198.03256	0.5
199.03955	0.5
202.02609	0.5
202.99765	2.4
211.03943	0.4
213.01869	1.1
213.05579	0.4
214.02657	2.4
221.04520	0.9
225.01837	2.1
226.02380	0.5
227.03442	1.2
229.01381	1.5
241.01239	0.4
241.05013	1.0
242.02127	2.1
243.02982	3.2
255.02997	2.5
257.04465	0.5
258.01767	0.5
267.03030	0.5
269.00900	32.6
270.01364	3.8
271.02466	2.3
279.02905	0.8
281.04431	0.8
282.01669	4.1
283.02420	1.3
284.03079	0.6
285.03998	3.4
297.00473	0.8
297.04135	0.7
298.83627	0.5
300.02789	3.4
301.00098	0.8
301.03467	12.9
302.03845	1.3
307.02557	0.7
308.03012	0.7
317.04718	1.0
318.05222	0.5
319.06009	0.8
325.03622	0.7
329.02875	3.1
330.04596	0.4
334.04797	0.6
335.05576	1.3
345.04071	4.7
346.04532	1.3
347.05609	2.5
353.02982	6.2
353.08560	1.2
354.03101	0.8
357.03348	0.8
361.03421	0.6
362.04193	0.6
363.05060	7.2
364.05505	1.1
373.03497	9.2
374.04111	3.0
375.05084	2.6
390.03494	0.5
391.04584	8.7
392.05096	1.4
401.02994	2.6
417.06110	1.2
419.04056	60.5
420.04550	11.0
435.07129	3.2
461.05215	0.6
479.06177	100.0
480.06552	14.5
595.07642	0.5
603.96094	0.5
654.32343	1.4
655.10175	9.8
656.10968	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	655.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01253	5.5
61.98706	2.2
63.02268	0.5
65.00197	1.3
68.90514	0.4
69.36571	0.4
70.77496	0.4
71.01237	2.6
71.51601	0.7
72.99193	0.5
73.02826	1.0
75.00748	1.1
83.01261	1.6
85.02805	1.1
87.00755	1.2
88.98701	0.5
89.02315	1.2
93.03353	1.0
95.01284	0.6
96.10273	0.3
96.95910	1.0
101.02310	1.8
107.01295	2.1
107.04919	0.4
109.02818	2.0
110.03207	0.4
111.00758	0.6
113.02325	1.2
116.92797	0.4
119.03384	0.9
119.04934	1.4
121.02808	0.9
123.00762	0.8
123.04377	0.7
124.01551	2.9
125.02357	3.2
133.02850	1.0
134.03543	0.9
135.00757	0.6
135.02899	0.5
135.04440	2.0
135.06508	0.4
136.01555	0.8
136.98978	0.5
137.02341	4.0
143.04918	0.5
145.02881	0.7
147.04483	0.6
148.01524	0.5
149.02348	1.7
151.00287	6.6
151.03935	0.9
152.01045	1.5
153.01819	0.5
157.02902	0.4
161.02365	3.6
161.09709	0.5
163.00276	1.9
163.03932	1.8
164.01065	2.7
164.04630	0.9
165.01855	4.1
165.05476	0.9
166.02306	0.5
167.03516	0.4
169.01268	2.0
173.04506	0.9
174.03093	0.7
175.03912	1.7
177.01884	1.2
178.99783	8.7
179.03394	1.4
179.07118	0.6
180.04199	1.3
181.04994	1.0
185.02396	0.6
187.03914	1.0
187.11281	0.4
189.01842	1.0
190.02654	1.2
190.99889	0.7
191.03474	0.7
191.05540	1.0
193.01381	1.5
195.06535	4.2
199.03979	1.7
201.01833	0.5
203.03413	1.7
204.04222	0.6
205.05057	0.8
207.02887	0.5
208.03720	1.6
211.04155	0.4
213.01904	0.7
214.02655	7.3
215.03368	1.5
216.04271	0.5
217.01360	0.6
221.04431	0.9
223.04065	0.7
223.06076	5.0
227.03433	1.4
227.12943	0.5
229.01418	0.6
231.02858	0.8
232.03813	0.5
241.01421	0.5
242.02148	6.9
243.02953	5.3
244.03529	0.8
245.04617	0.4
259.02451	7.8
260.03064	0.8
269.13358	0.4
270.01694	7.8
271.02475	44.7
272.02789	3.3
279.02805	0.5
279.10858	0.9
287.01987	27.7
287.15060	0.8
288.02554	3.6
289.03668	0.5
289.07181	0.6
295.02591	0.4
297.11859	3.0
299.01938	0.9
299.99112	1.2
300.02658	0.8
300.99637	1.4
301.03201	0.5
315.01529	2.7
315.04733	0.5
316.02234	100.0
317.02835	18.6
318.03387	0.7
323.02084	1.9
324.02765	0.8
325.03326	0.4
330.04376	0.6
331.04572	1.2
339.12869	0.7
357.26230	0.6
373.25919	0.7
375.27573	5.6
383.04181	0.5
411.16293	0.5
433.15015	1.8
443.06064	0.9
447.06299	0.5
448.05783	0.7
463.08499	0.5
479.08344	25.8
480.08496	2.3
493.10181	2.1
532.13922	0.5
565.95953	0.5
654.32440	0.8
655.13062	55.5
655.25287	2.7
655.37152	1.8
656.13470	10.0
656.24945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69507	0.3
59.01254	1.9
61.98700	100.0
62.11232	0.4
62.98405	0.4
71.01242	0.5
71.49232	0.4
71.49625	0.4
78.95786	1.4
83.92181	0.4
85.09244	0.3
85.21204	0.3
89.02337	0.4
92.98921	0.3
101.96112	0.3
102.13708	0.3
149.92372	0.4
152.99500	0.7
207.10124	0.7
209.11790	1.5
211.13362	0.7
293.21259	0.5
472.35355	1.0
654.31836	1.2
655.33136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.8
57.03322	0.7
59.01248	4.1
61.98699	1.1
62.76394	0.8
65.24456	0.7
66.27156	0.7
67.62202	0.7
71.01238	3.9
73.02831	1.0
74.98987	1.3
75.00744	2.0
85.02834	2.1
86.82246	0.6
89.02316	1.3
93.03332	2.5
96.95895	1.4
98.20599	1.8
101.02329	0.8
109.02858	3.0
113.02340	2.0
119.04932	1.2
120.99523	0.9
121.02850	4.3
124.01558	0.9
125.02345	4.1
133.02913	0.9
134.03587	1.1
135.02892	1.6
135.04436	1.6
136.98959	0.8
137.02348	1.2
149.02296	1.7
149.06006	0.8
151.00279	1.3
159.04657	0.7
161.02333	2.7
165.01865	1.0
166.02631	0.9
169.01343	1.5
169.02657	0.8
173.02322	0.9
174.03133	2.9
175.02382	1.7
175.03854	1.9
177.01849	3.1
179.63251	0.8
183.11636	0.8
189.01872	1.0
191.05518	1.9
197.45744	0.8
199.11674	0.7
201.01892	1.1
202.02629	0.7
202.99809	3.3
213.01985	0.9
214.02620	3.5
225.01900	2.2
229.01355	2.0
241.05023	1.9
242.02238	2.4
243.03050	3.6
257.01224	1.0
257.04358	1.0
267.02930	0.9
269.00894	41.4
270.01431	4.5
270.98557	0.9
271.02560	0.9
275.01831	1.0
281.04440	0.9
282.01682	4.0
283.02423	1.6
283.10327	1.4
285.04001	3.6
297.03860	0.9
300.02686	1.1
300.99936	1.7
301.03464	2.4
323.01791	1.8
329.02994	4.0
334.04587	0.8
335.05966	0.8
345.03955	4.1
346.04779	1.3
347.05640	1.8
353.02985	4.6
357.02524	1.5
363.05090	7.3
371.07748	1.0
373.03482	9.1
374.04135	2.4
375.05060	2.6
390.03665	0.9
391.04608	8.9
401.02960	1.5
419.04068	64.5
420.04486	10.7
433.14789	1.0
435.07162	3.1
444.23175	0.9
447.09787	1.1
479.06174	100.0
480.06430	12.9
654.31970	1.1
655.08960	8.2
656.09320	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	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45567	0.2
55.01756	1.5
57.03315	1.3
58.00470	2.1
59.01248	39.0
60.01567	0.5
61.98697	1.7
68.99681	0.5
69.03323	2.2
71.01250	37.7
72.01583	0.4
72.99171	3.2
73.02814	6.3
75.00739	0.9
81.03315	1.5
83.01255	4.2
83.04906	0.3
84.02038	0.3
85.02821	8.1
85.99957	0.3
87.00745	9.6
87.04414	0.4
89.02312	33.6
90.02643	0.4
91.03875	0.8
93.03317	0.4
95.01260	3.0
97.02823	7.1
99.00751	2.2
99.04413	0.3
101.02317	29.7
102.02674	0.7
103.00251	0.4
103.03870	0.5
109.02817	0.7
111.00733	0.5
111.04404	1.4
112.01498	0.3
113.02329	16.0
114.02640	0.4
115.03876	0.8
118.71236	0.2
119.03390	10.0
121.02852	0.9
123.00779	0.5
123.04420	0.5
124.01505	0.3
125.02334	12.5
126.02648	0.5
127.03897	0.5
129.01852	0.3
131.03409	1.6
133.02870	0.3
133.04970	0.8
135.04408	0.6
136.04756	0.4
137.02351	1.3
138.02666	0.5
139.03897	1.2
141.01842	0.6
143.03401	6.0
145.04968	0.2
149.04440	1.0
151.03883	0.3
153.16927	0.3
153.30807	0.2
161.02414	0.4
161.04465	6.6
162.02571	0.3
167.03435	0.9
169.04941	0.5
171.02884	0.4
179.05542	5.7
181.04907	0.3
185.04463	0.8
199.05966	0.6
200.39143	0.2
203.05544	0.6
209.11752	0.7
211.85144	0.2
217.07124	1.0
218.90984	0.2
219.05092	0.3
221.06578	2.3
226.57367	0.3
235.08191	13.5
236.08562	0.6
245.06670	0.7
253.09256	3.5
254.09641	0.3
255.23256	100.0
256.23621	8.8
263.07657	1.5
269.24826	0.5
277.09219	1.0
287.07736	3.8
305.08749	3.9
323.09784	2.0
361.11136	0.5
379.12405	0.8
397.13464	81.5
398.13803	6.7
398.17722	0.2
415.14532	31.0
416.14896	2.5
473.35312	0.3
635.38593	1.1
653.26849	0.5
653.38135	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	653.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09646	0.7
55.42218	0.7
56.60592	0.7
58.18171	0.6
59.01248	5.3
61.98702	4.1
69.03350	0.7
71.01253	2.0
71.04894	0.8
75.06036	0.6
78.95772	100.0
79.37312	0.7
83.04900	0.9
96.96834	9.3
96.97417	0.7
98.19798	1.8
98.74136	0.6
109.06516	0.9
121.02774	0.8
129.79646	0.6
132.46651	0.7
134.98424	2.1
149.09596	0.7
150.97911	0.7
152.99480	67.8
153.99826	1.3
159.10359	0.6
167.10666	2.6
171.00514	1.1
179.10716	1.2
179.14293	3.0
182.23598	0.5
183.01125	1.9
195.13832	12.4
196.14180	1.0
205.12285	5.5
209.11699	1.1
223.13335	49.5
224.13606	3.6
255.23273	1.7
275.20142	2.8
277.72812	0.6
280.04062	0.8
293.21210	30.1
294.21573	2.4
311.16754	0.8
359.12634	30.7
360.12897	3.7
377.13699	8.2
429.20416	28.1
430.20685	2.4
447.21478	9.1
448.21854	1.3
469.68414	0.7
563.41504	0.8
653.34552	35.7
654.34729	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03311	1.3
58.00455	2.4
58.51475	0.7
59.01250	42.2
61.98700	12.9
62.68061	0.8
64.55873	0.8
65.26817	0.8
66.65244	0.7
69.03317	2.4
71.01255	31.6
71.51041	1.3
72.99171	2.9
73.02821	5.6
75.00731	2.0
76.34769	0.7
78.95775	28.6
79.27315	0.8
79.27827	0.8
81.03319	2.3
83.01276	3.9
85.02823	9.5
87.00755	9.4
88.01021	0.9
89.02319	33.3
95.01246	2.7
96.96838	2.2
97.02824	6.0
99.00733	3.0
101.02324	31.0
109.02799	1.6
111.04429	0.9
113.02338	15.8
119.03385	10.7
121.02800	1.1
125.02325	11.5
126.80424	0.7
131.03372	1.5
135.04372	2.3
136.94397	0.7
139.03868	1.0
143.03403	5.7
149.04424	1.1
152.98325	1.5
152.99480	22.1
153.99878	0.9
161.04446	7.8
167.03326	1.0
168.66841	0.7
179.05531	6.9
185.04333	1.2
195.13791	2.9
205.12242	1.6
217.07176	1.6
221.06514	2.5
223.13361	14.0
224.13528	1.5
235.08191	14.5
245.06638	1.4
253.09241	3.2
255.23260	100.0
256.23578	8.8
263.07620	1.8
277.09439	1.6
287.07721	2.7
288.08014	1.2
293.21249	8.2
305.08701	4.7
323.09634	1.9
359.12607	7.4
377.13580	2.7
397.13486	84.7
398.13791	7.0
415.14554	33.8
416.14984	1.9
429.20499	7.0
447.22046	1.9
471.34543	1.0
473.35544	1.2
522.46442	1.0
531.15363	0.9
591.35510	1.5
598.39160	0.9
618.09705	0.9
653.33899	10.3
654.33612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68641	0.4
52.54013	0.4
59.01233	0.6
69.18294	0.4
71.48750	0.7
71.99111	0.4
78.95775	100.0
96.96821	1.0
148.99994	5.1
152.99495	2.7
171.10155	1.0
179.01083	0.6
205.15918	1.8
255.23227	3.7
277.21826	0.7
285.12613	3.8
355.16730	2.5
385.17673	0.7
402.63550	0.5
447.13342	4.8
448.13217	0.7
563.32874	0.5
653.30066	49.0
654.30426	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	653.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01250	6.0
61.83877	0.4
61.98701	16.4
66.86548	0.5
68.99700	0.5
69.03333	0.7
69.32892	3.8
71.01251	5.4
71.04875	0.5
72.99181	0.7
73.02814	2.1
75.00764	0.6
78.95773	1.5
79.54430	0.5
81.03341	1.5
82.30070	0.5
83.01277	0.8
83.04910	0.7
84.63583	0.4
85.02832	4.2
87.00761	0.5
88.98678	0.9
89.02325	1.8
93.03352	3.3
95.01234	3.7
95.04903	0.6
96.95886	3.5
97.02827	0.9
97.06531	0.5
99.00746	1.1
101.02332	3.3
107.01298	0.6
107.04884	2.5
108.02054	67.2
109.02847	40.0
109.03614	1.2
109.06494	0.9
110.03188	1.0
110.41744	0.5
113.02323	2.0
119.05007	0.5
121.02831	1.1
123.00776	3.5
123.04414	4.1
123.08114	0.7
125.02319	1.6
125.09596	1.1
132.02109	0.5
133.02847	0.8
134.03624	0.6
135.00722	0.6
135.04424	2.8
135.05312	0.5
137.02338	4.1
139.11163	0.9
145.02847	0.6
147.04436	0.5
149.02359	2.1
150.06705	0.5
151.03944	2.4
152.01057	56.9
153.01854	19.2
153.05461	3.3
154.02202	0.6
160.01587	0.9
161.04468	1.5
163.03949	1.2
163.07471	0.6
163.11220	0.5
169.01308	0.8
171.10138	1.5
171.77554	0.6
173.02414	0.5
174.03032	0.6
175.03914	2.8
176.04237	0.8
177.01857	0.5
179.03444	2.2
181.12209	0.8
185.11859	0.7
189.01811	0.7
191.05533	0.6
193.05002	0.6
207.10217	2.6
208.05273	0.6
209.11780	6.3
210.12085	0.6
223.09648	0.6
223.13312	0.7
225.11282	3.7
225.15025	0.9
237.05562	0.8
251.07120	0.9
269.08148	1.0
295.22693	0.5
299.99335	0.6
300.99741	0.8
307.22882	0.6
314.05844	1.3
323.05798	0.5
325.23697	5.2
327.25607	0.5
337.23810	0.9
355.24905	16.8
356.25098	1.5
357.26440	4.9
371.24353	0.6
373.23886	0.6
394.03906	0.5
399.21704	0.7
417.22787	1.0
435.24228	0.6
445.11392	1.6
461.20148	0.8
473.12271	2.0
474.13123	0.6
491.33533	1.5
537.49573	0.6
635.30511	2.4
653.31726	100.0
654.32086	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	653.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32678	0.5
59.01248	3.3
61.98703	4.4
71.01240	1.2
71.51733	1.0
72.99175	0.5
73.02818	0.6
78.36415	0.5
78.73405	0.4
85.02803	0.5
87.00771	0.6
88.98674	0.8
89.02316	0.8
93.03310	0.8
97.09340	0.5
100.00507	0.5
101.02305	1.3
111.57626	0.4
113.02343	0.5
125.02374	0.8
137.02213	0.6
151.06058	0.7
169.01326	0.6
175.03908	1.1
179.05421	0.6
183.04465	1.0
191.05508	1.0
192.03760	0.5
195.04190	0.6
196.05159	1.1
197.06018	1.3
198.03151	0.5
207.04465	0.6
209.06001	1.5
211.03929	1.2
212.04710	0.9
213.05432	0.6
222.03178	11.0
223.03743	1.6
224.04631	1.4
225.05482	2.3
226.02711	0.5
235.03951	1.5
237.05478	1.2
239.03444	2.7
240.04283	3.5
250.02682	12.2
251.03320	3.2
252.04167	1.9
253.05058	3.9
255.02933	0.7
263.03452	1.3
267.03000	1.3
268.03751	1.5
271.02505	1.6
278.02200	16.8
279.00110	0.8
279.02960	7.7
280.03653	1.4
281.04517	2.7
295.02487	2.0
296.03336	2.5
300.02795	2.1
306.01721	1.5
307.02475	18.7
308.03036	3.0
313.11359	2.7
323.01935	1.8
324.02731	100.0
325.03461	71.6
326.03812	5.7
327.25366	1.3
335.01877	1.0
339.25519	0.9
357.26477	13.3
419.94214	0.5
481.21332	0.5
487.08844	9.7
488.09091	1.3
620.31848	0.6
653.18774	71.2
653.36420	1.7
654.19049	15.4
654.30304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4114
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
55.75190	0.5
59.01249	29.5
61.98699	3.8
70.90054	0.5
71.01253	10.9
71.50377	0.6
71.50811	0.9
72.99191	1.4
79.06882	0.5
85.02815	1.1
87.00743	1.0
89.02315	11.8
92.43824	0.6
101.02318	4.8
113.02290	2.8
119.03379	2.2
119.04902	0.9
121.02831	2.3
123.04403	2.6
125.02283	0.6
131.03355	0.9
133.02847	3.4
134.03653	0.9
135.04420	6.3
136.10907	0.6
137.02341	9.7
143.03409	1.6
145.02856	0.9
151.03935	0.7
152.99480	0.7
161.02370	4.5
161.04457	1.9
179.03471	0.9
179.05531	6.5
197.04533	0.7
209.11768	2.4
471.34753	100.0
472.35150	19.3
497.32654	6.3
498.33246	1.2
633.37946	10.9
634.38354	2.6
651.28912	1.6
651.38782	5.7
652.39038	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	652.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75803	1.3
59.01247	100.0
61.98707	11.7
68.99666	1.7
69.67898	1.5
71.01247	10.8
72.99146	2.7
73.02808	2.1
75.00722	2.9
77.11562	1.2
79.11375	1.3
85.02817	1.5
87.00749	6.6
88.98676	4.6
89.02298	6.9
91.45588	1.3
93.03304	2.0
96.95901	1.6
99.00735	4.8
101.02321	3.8
113.00568	1.3
113.02341	6.7
115.00159	1.7
116.92748	2.1
119.03406	1.8
119.04897	2.7
120.34552	1.3
121.02811	2.4
123.00734	1.9
125.02306	4.2
131.03406	2.4
131.54398	1.5
133.02811	1.5
134.03638	3.3
134.36661	1.3
135.04402	3.7
137.02342	2.1
145.02863	2.3
149.02315	8.3
149.04381	1.8
149.05995	1.3
151.03941	2.5
152.01006	2.3
153.01839	2.3
153.09103	1.8
161.02354	2.9
161.99480	1.9
162.03062	3.1
163.03868	6.5
164.04697	13.1
165.05383	1.7
166.02635	4.6
169.01324	2.7
171.10162	1.6
175.00284	4.1
175.03865	3.0
177.01845	4.0
177.05473	7.2
179.03418	4.5
179.07057	6.2
181.04936	1.6
183.06534	4.2
190.02594	12.2
191.03372	3.8
191.05478	2.8
193.01343	2.1
205.04990	13.8
206.05670	5.1
206.13097	1.8
207.02869	3.8
208.03694	5.3
209.11795	2.1
217.01294	1.6
219.02957	2.1
221.04576	2.3
221.08170	6.7
222.05313	19.6
223.06046	30.2
225.14804	4.1
237.07484	3.6
247.06027	7.4
249.07628	2.4
265.07175	29.4
266.07483	2.6
271.02731	1.4
279.10898	2.4
295.08203	15.2
297.11841	3.4
325.09348	10.1
337.08990	1.6
355.10486	1.4
359.83514	1.4
371.24405	3.3
372.24475	3.8
373.25894	4.9
382.83881	1.6
383.09656	5.3
385.11383	9.6
425.61761	1.8
464.47824	1.6
490.32736	2.0
491.13388	1.6
652.31226	4.9
653.32111	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	651.4106
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
57.47703	0.4
59.01248	5.9
60.99184	0.6
61.98701	2.7
67.68185	0.5
71.50859	0.5
78.95773	0.7
80.69642	0.4
104.23773	0.4
111.84949	0.4
124.81724	0.4
152.99474	0.5
209.64229	0.4
217.01030	0.4
223.13333	0.6
345.41376	0.5
405.91553	0.4
425.33755	0.5
453.33820	1.0
471.34769	100.0
472.35120	17.4
629.82629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08103	0.4
55.01733	0.4
58.00462	0.7
59.00956	0.8
59.01249	15.4
59.91174	0.4
61.98696	4.8
71.01254	16.5
72.99178	1.0
73.02840	0.7
83.01253	0.7
85.02827	1.2
87.00745	1.0
89.02312	23.0
95.01261	0.9
95.69460	0.5
98.19839	1.1
99.28253	0.4
101.02314	7.1
113.02314	4.6
119.03396	3.7
119.04926	1.1
121.02825	0.7
125.02362	0.5
131.03366	0.9
143.03436	2.1
145.02850	1.4
149.04442	1.1
161.04448	2.5
163.03937	0.6
179.05537	11.7
181.97455	0.5
198.04460	0.4
471.34772	100.0
472.35120	17.4
553.34534	0.6
553.73254	0.6
633.38043	1.2
651.39191	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	651.4112
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
58.00457	0.6
59.01249	10.5
59.22105	0.3
61.98700	2.3
69.78902	1.4
71.01252	13.3
72.99156	0.6
73.02779	0.4
85.02826	0.9
87.00738	0.9
89.02317	18.2
95.01257	0.4
98.20467	0.5
101.02322	5.6
113.02332	4.0
119.03394	3.3
131.03357	1.0
143.03380	1.4
149.04457	1.0
161.03165	0.3
161.04414	2.1
179.05530	9.7
180.05853	0.3
192.37328	0.3
198.92464	0.3
231.11249	0.3
348.80637	0.4
423.32336	0.5
471.34772	100.0
472.35132	16.7
577.20886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.5
60.44201	1.2
61.98700	18.9
69.59208	1.6
71.01253	7.3
71.49886	1.3
72.99200	1.8
75.00750	1.5
78.95767	2.8
89.02301	8.6
93.03331	2.9
101.02308	3.4
107.04904	4.3
107.50019	1.2
108.02039	1.6
109.02809	1.5
113.02306	2.5
118.37944	1.2
121.02866	9.1
123.04397	10.9
133.02844	23.8
134.03603	5.7
135.04410	53.0
137.02339	90.1
138.02687	3.7
145.02867	1.6
151.03926	3.6
152.99384	1.8
161.02354	46.3
162.02686	2.1
179.03369	8.9
179.05516	4.3
180.82388	1.2
189.01686	1.4
197.04507	3.2
225.11365	2.4
453.33609	6.6
454.34308	3.0
469.33197	1.8
471.34756	54.9
472.35135	8.9
497.25494	2.1
497.32730	50.3
498.32840	9.2
633.37933	100.0
634.38373	18.7
651.29352	14.1
651.38916	21.3
652.29504	3.7
652.39594	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	651.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.0
60.99170	0.5
61.98698	2.2
71.01257	0.5
71.50985	0.7
78.95793	0.4
88.98725	0.4
89.02328	0.7
91.01853	0.3
93.03348	0.6
108.02044	0.4
117.03345	7.9
118.03653	0.6
119.04911	11.7
120.05273	0.5
121.02844	100.0
121.99255	0.4
122.03172	4.1
133.02838	0.9
135.04420	2.2
145.02856	33.2
146.03201	1.9
163.03937	5.3
176.50693	0.4
181.04973	6.1
190.04749	0.4
274.39200	0.5
340.92352	0.3
426.99689	0.4
429.29996	1.2
439.31909	1.9
455.31607	0.8
457.33542	0.4
467.31268	0.6
469.33270	2.9
470.33630	0.7
471.34918	1.0
487.34491	2.0
488.34061	0.4
489.32480	0.4
499.34027	1.5
513.32440	1.2
529.35388	0.4
535.93268	0.4
571.37811	5.7
572.38330	1.1
615.36584	0.9
621.37598	0.6
633.37958	31.7
634.38165	8.2
651.38983	13.7
652.39435	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	651.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51880	0.9
56.87803	0.8
57.62403	0.9
64.76704	1.1
66.98066	0.9
76.50547	1.0
78.95773	100.0
83.04916	1.7
88.85355	0.9
96.96846	9.6
134.98439	1.2
135.03560	1.0
152.99496	56.6
163.11189	1.1
165.12665	1.3
168.41539	0.9
171.89772	1.0
209.11758	30.7
210.12082	1.7
223.13385	1.3
223.78308	1.0
227.12779	4.4
229.40247	1.2
255.23257	97.2
256.23639	8.9
277.21780	4.0
284.48584	1.0
363.12128	7.6
391.22543	21.3
392.23022	1.8
395.14996	5.4
409.23517	9.5
410.23981	1.0
619.36102	45.6
620.36139	8.0
651.38837	15.6
652.38983	4.9
683.55634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68427	0.7
55.01762	1.6
57.03313	4.8
58.00466	4.5
59.01249	83.4
60.01579	1.0
61.98701	13.0
69.03339	2.0
70.85684	0.8
71.01253	65.0
71.04859	0.7
71.50877	1.3
72.01585	0.8
72.99185	5.6
73.02827	2.4
75.00754	1.9
78.95766	2.0
83.01262	2.9
85.02821	11.3
85.06458	1.0
87.00751	3.8
89.02318	80.1
90.02620	1.0
95.01241	4.7
98.19875	0.9
101.02321	42.4
107.04914	2.2
108.02078	0.9
109.02780	0.8
109.06472	28.6
110.06830	0.7
113.02327	29.5
119.03390	40.6
121.02882	1.4
123.04400	1.2
124.01551	0.8
125.02348	10.2
131.03426	4.7
135.04446	0.9
137.02269	1.6
143.03413	8.9
149.04453	2.5
151.03925	1.1
159.04433	0.8
161.02420	0.9
161.04451	11.4
165.01894	1.1
169.01352	6.8
169.04948	1.0
171.10010	0.9
175.03903	1.3
179.05530	33.7
180.05859	0.8
191.05598	0.9
209.11786	2.5
225.95911	0.8
295.26401	1.5
297.24197	4.8
357.26285	5.6
367.87640	1.1
371.29526	1.0
373.31088	10.9
374.31229	1.0
385.31235	2.3
427.32199	7.8
445.33179	20.6
446.33823	2.8
471.30899	0.9
489.32129	28.9
490.32739	3.7
531.33832	1.0
609.04150	0.9
651.37744	100.0
652.38196	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	651.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35225	0.5
59.01242	4.9
61.98714	0.5
69.16746	1.0
69.17152	4.4
71.01245	2.7
72.99179	2.1
75.00742	11.7
75.01150	0.8
84.71408	0.4
85.02824	1.0
87.00801	0.5
89.02322	3.8
93.03352	0.8
95.04938	0.5
96.95887	1.9
99.00745	0.7
101.02328	1.0
107.04912	0.9
108.02051	0.6
109.02858	1.6
113.02328	1.0
115.00243	0.5
117.01793	2.0
117.03365	0.8
119.03381	0.5
119.04907	3.4
121.02829	3.4
122.03626	1.7
123.04401	16.7
125.02351	2.2
131.04938	0.8
133.02872	1.9
134.03654	1.8
135.02887	35.3
135.04420	100.0
136.01579	0.5
136.03191	0.9
136.04755	4.2
137.02359	2.6
139.03897	1.0
145.02867	3.8
147.04466	0.4
149.01299	0.6
149.02327	3.4
150.03151	0.7
151.00385	0.5
151.03923	7.6
152.04254	0.7
153.05467	15.9
154.02516	0.5
154.05780	0.8
158.03615	0.6
159.04457	2.1
161.02322	2.7
163.03828	0.5
163.33342	0.4
164.09470	0.5
165.01830	0.9
167.03403	7.0
169.01355	0.9
173.02344	15.2
174.03125	8.2
175.03928	9.1
177.01807	0.5
179.03360	3.8
189.01833	2.0
189.36063	0.4
190.02603	0.6
191.03397	1.2
191.05516	1.1
191.08418	0.5
193.04810	0.4
197.04478	17.2
198.04791	0.9
200.12831	0.4
203.03375	0.5
204.05652	0.4
209.04491	5.1
215.07100	0.5
217.06638	0.8
219.08131	2.3
220.32614	0.5
221.04468	0.5
224.32283	0.4
233.06015	1.7
235.07562	1.7
237.05579	0.5
237.09142	1.2
239.05522	3.2
245.06056	4.1
246.06651	1.9
247.07510	3.6
249.05536	0.6
251.07100	1.7
261.05609	4.1
262.06281	2.3
263.07098	10.8
264.04214	0.6
264.07526	0.8
265.05051	2.0
267.05072	1.1
273.05566	1.2
274.06384	1.0
277.05179	0.6
278.05789	1.0
279.06613	6.1
281.08170	1.4
283.04703	0.7
285.06140	4.8
289.04868	0.5
290.05777	1.4
291.06607	27.2
292.06995	3.2
293.04553	3.3
294.04959	0.7
297.06085	4.4
300.02679	0.8
300.99759	0.8
309.07678	10.8
310.08148	1.1
315.07199	69.7
316.07523	5.2
323.05576	0.7
327.07202	1.0
334.41315	0.5
335.05582	1.3
336.08444	1.2
337.09271	1.3
341.06857	0.6
353.06644	3.0
357.08221	3.3
359.09860	1.0
387.09232	0.4
417.10431	1.5
441.08109	1.7
471.08893	0.8
477.12427	1.4
489.10245	1.0
503.11819	0.7
533.12891	4.9
534.13245	1.1
545.92743	0.5
621.14807	0.7
651.15552	16.9
652.16156	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
59.01251	1.0
61.98701	0.9
65.45815	0.1
67.74953	0.1
71.01254	0.6
71.50867	0.2
72.99199	0.1
73.02797	0.4
83.04862	0.1
85.02824	0.4
85.06458	0.1
88.71313	0.1
88.98659	0.1
89.02316	0.3
90.97189	0.1
93.03316	0.1
93.09873	0.1
95.01299	0.1
96.95886	0.3
101.02309	0.4
108.02042	0.3
109.02852	0.2
113.02313	0.4
116.92749	0.1
123.04405	0.2
125.02325	0.2
131.07008	0.3
134.03581	0.1
135.04367	0.1
137.02306	0.1
137.09558	0.1
145.45921	0.1
147.06276	0.1
152.01038	0.3
153.01816	0.1
153.20587	0.1
161.04405	0.2
171.10211	0.1
173.04361	0.1
173.62338	0.1
174.03056	0.1
175.03896	0.3
177.01851	0.2
179.03372	0.1
187.03922	0.1
197.41859	0.1
204.95836	0.1
209.11862	0.1
233.04269	0.1
236.27565	0.1
271.02637	0.1
311.22195	0.3
327.21750	0.1
335.13348	0.1
355.24823	0.2
357.26358	0.3
369.22849	0.1
371.24451	0.3
373.25827	0.5
379.08026	0.1
379.30338	0.2
391.29874	0.2
409.31113	0.7
421.31351	0.1
455.31592	0.1
469.18405	0.7
485.32904	0.2
487.34244	100.0
488.34595	15.8
649.13116	0.2
649.27521	0.2
649.38837	1.6
650.37036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.9
61.98707	1.3
73.73497	0.3
76.68702	0.3
78.95786	0.6
86.73792	0.3
117.03380	1.7
119.04927	0.9
121.02840	1.0
123.04401	0.6
124.54372	0.3
125.02365	0.3
132.02083	1.2
133.02844	27.7
134.03534	0.9
135.04414	6.6
136.04762	0.4
137.02286	0.7
139.03905	0.4
145.02878	3.1
147.00754	0.3
161.02348	100.0
162.02692	4.4
163.03920	0.8
175.03958	0.6
178.02809	0.3
179.03400	3.6
416.28488	0.3
425.30692	0.5
455.31583	0.7
467.31738	0.4
469.33273	0.9
485.32257	0.3
487.33966	0.6
488.35126	0.3
513.32379	0.4
587.37323	0.4
649.37439	90.4
650.37775	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	649.3951
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
53.91786	0.4
57.04821	0.4
58.00454	0.7
59.01250	13.0
61.98701	1.0
71.00848	0.7
71.01250	13.1
72.99168	1.0
80.22699	0.4
85.02835	0.8
87.00751	0.6
89.01759	1.0
89.02316	19.5
90.02620	0.6
95.01268	0.5
98.20604	0.7
101.02322	6.3
113.02348	4.8
119.03382	3.4
131.03371	1.5
133.02837	1.0
143.03386	1.9
145.02765	0.5
149.04436	1.2
161.04431	2.2
163.03914	0.6
179.05522	11.5
194.74809	0.4
232.15814	0.5
232.87146	0.4
293.41235	0.4
405.31680	0.7
415.11984	0.5
469.33182	100.0
470.33542	15.1
471.34708	0.4
649.39026	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	649.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01603	0.6
61.98706	0.8
65.08004	0.6
71.01244	1.3
71.50059	1.1
73.16611	0.6
89.02325	1.0
92.57246	0.6
111.13476	0.6
119.04939	1.2
119.45545	0.6
133.02888	0.8
145.02884	2.5
154.75093	0.8
157.03949	0.8
163.03920	1.1
177.01895	2.2
185.78891	0.8
197.11804	1.6
223.13330	7.7
255.38364	0.8
271.84891	0.7
291.19641	0.7
309.20746	3.7
469.33109	8.3
470.33484	1.5
518.88556	0.7
599.89966	0.8
649.37659	4.6
650.38879	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	649.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48445	0.5
59.01234	1.3
61.98709	1.6
68.53604	0.5
71.01225	0.6
71.51432	0.7
78.95753	0.9
110.28670	0.4
117.03349	26.0
118.03676	1.1
119.04909	11.6
121.02834	1.5
125.02366	2.2
133.02838	1.0
135.04410	1.7
137.02315	0.6
145.02856	100.0
146.03194	4.5
151.03944	0.7
161.02383	2.3
163.03918	16.8
174.03200	0.6
179.03392	0.8
277.21732	0.8
289.07285	0.8
387.94580	0.5
469.33411	0.7
485.32504	1.4
487.33527	1.1
545.64124	0.5
587.37439	2.3
631.36517	1.4
649.37439	81.9
650.37836	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	649.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.3
55.25828	0.8
56.48058	0.9
57.03305	1.9
58.00468	6.4
59.01247	97.7
60.01565	1.5
61.98699	16.4
62.90738	0.9
63.57460	0.9
69.03312	2.1
71.01250	71.7
72.33711	0.9
72.99183	6.1
73.02812	1.9
75.00708	1.0
78.95762	1.3
83.01251	3.5
84.07570	1.2
85.02823	13.4
87.00747	5.4
88.98674	1.2
89.02315	91.5
90.02641	1.4
95.01270	5.1
97.02826	1.1
101.02318	48.5
102.02694	1.7
107.04908	2.3
109.06475	31.2
110.06784	1.9
113.02318	31.3
119.03386	45.2
123.04405	1.8
123.46886	1.0
125.02377	5.0
131.03380	6.8
134.73955	1.0
137.02278	1.0
140.93633	0.9
143.03407	10.2
149.04436	4.3
152.01004	1.1
155.10738	1.1
161.03345	0.6
161.04472	11.2
169.01338	2.3
174.03128	1.7
179.05522	38.4
180.05910	1.6
189.01833	1.7
211.03923	1.1
217.01247	0.9
224.04849	1.2
227.03375	1.1
230.34959	1.2
239.03381	3.1
240.04106	1.2
291.13885	1.0
309.14862	2.1
313.25323	3.2
337.14502	1.1
337.23703	1.9
349.25360	1.1
367.26538	1.8
371.29483	4.7
413.16098	2.0
425.30554	5.2
443.25748	1.8
443.31638	26.4
444.31934	3.6
486.07315	6.9
487.07840	1.4
487.30011	31.0
488.29999	4.5
529.31415	1.7
530.31360	1.2
628.79626	0.9
649.25354	11.3
649.35852	100.0
650.25446	2.7
650.36072	23.7
652.91205	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	649.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01000	2.4
59.01260	17.8
61.98700	47.5
61.99893	2.5
62.31187	2.5
70.65931	2.8
70.66295	9.0
71.01257	17.1
71.24145	2.4
72.02682	2.6
78.95777	3.6
85.02822	5.0
87.00748	5.2
88.98673	5.0
89.02322	7.7
96.95880	4.2
98.79118	2.4
101.02354	5.0
101.05149	3.0
107.01263	2.7
108.02037	4.9
109.02857	3.3
113.02351	4.5
116.06433	2.8
123.04420	7.7
125.02340	18.1
125.09621	3.9
137.02342	3.8
145.02858	4.3
149.02321	4.2
151.00154	2.4
151.03886	2.6
152.01035	3.8
153.05450	3.8
161.02283	2.9
165.05498	3.8
168.00578	3.9
169.01302	22.0
173.04436	2.8
174.03185	4.7
175.03909	28.6
190.82454	2.5
191.05563	6.9
209.11783	6.2
211.13235	2.8
254.93591	2.8
271.04681	5.1
300.99887	3.8
431.24152	3.2
458.07663	4.7
485.06662	5.8
486.07413	74.6
487.07916	33.5
487.34442	42.1
488.09198	3.5
488.34549	7.4
513.01147	5.4
599.47931	2.7
613.36755	3.3
617.31696	5.5
649.13940	23.8
649.33545	100.0
650.14429	16.2
650.33441	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	649.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65301	0.8
55.69661	0.7
57.03314	1.6
59.01246	13.1
61.98700	18.5
71.01251	9.2
71.31730	1.6
72.99181	1.4
73.02826	4.5
75.00731	2.2
78.95778	1.5
82.95274	4.2
82.98210	0.7
83.01268	1.5
83.02388	7.5
83.04898	0.7
85.02816	2.7
86.74402	0.7
87.00745	2.2
88.98698	0.8
89.02300	4.4
93.03314	1.1
95.01280	1.3
96.95913	1.5
97.02865	1.3
97.06447	0.9
99.00776	1.9
101.02324	6.7
108.02069	3.3
109.02850	2.5
111.04395	0.8
113.02332	2.8
116.92751	4.0
119.03393	1.2
121.02844	1.6
122.03633	1.1
123.00753	0.9
123.04394	2.0
124.01614	1.1
125.02325	3.6
131.07007	1.3
133.02888	1.1
135.04399	2.0
137.02328	1.4
137.09674	0.9
139.03923	1.0
145.02872	1.6
147.06526	0.8
152.01056	3.4
153.01843	0.9
159.04385	1.1
161.02345	3.3
161.04427	2.0
165.01830	3.0
167.03403	2.3
169.01331	2.4
169.04916	0.9
171.10149	2.4
174.03172	0.8
175.03958	4.7
191.05418	1.1
195.04340	0.9
201.11238	0.9
206.03638	0.9
209.11824	2.8
211.03949	15.9
212.04362	1.0
213.02116	0.7
223.03937	1.2
224.04718	6.4
225.05457	2.2
235.03955	3.2
236.04883	0.9
237.05498	2.8
240.04181	0.9
241.05006	0.9
248.04738	0.9
251.03517	8.2
252.04199	9.0
253.04977	1.7
256.03717	4.0
262.02423	0.8
263.03461	9.5
264.04071	1.8
265.05057	1.2
271.09760	2.4
278.22580	0.9
279.02969	10.8
280.03702	9.5
281.04507	1.9
289.01468	1.2
291.02991	4.5
292.03802	3.1
293.04440	1.4
297.05566	0.9
298.06625	0.9
300.99832	0.9
307.02432	5.9
308.03247	100.0
309.03955	38.8
310.04391	2.9
311.25977	2.1
314.05801	2.5
319.02512	1.2
321.03995	0.9
327.12943	2.3
327.21707	1.6
327.25388	0.9
329.04840	1.1
335.01895	1.2
335.13727	0.9
336.02725	7.4
338.24228	0.8
339.25330	2.2
340.02301	1.4
341.04355	1.1
342.05200	1.9
354.05405	1.2
355.24844	2.7
357.26575	3.9
360.57974	0.8
369.03683	1.9
370.04739	2.9
370.79056	0.8
373.26050	1.2
382.04730	7.9
383.05109	1.5
385.03275	1.3
386.04028	1.9
394.05038	1.0
396.02487	2.0
397.02866	1.7
397.07727	5.9
398.04169	10.8
398.64972	0.8
399.04837	1.6
401.06754	1.8
413.06793	7.1
414.07382	1.0
424.01825	1.1
426.03845	17.5
426.67300	0.8
427.04224	3.2
427.28854	1.0
429.06152	1.5
439.04602	2.8
441.06155	29.1
442.06549	2.1
443.03632	0.9
457.05637	6.1
457.54172	0.9
459.07236	2.2
467.04156	2.1
469.05801	1.7
470.03140	1.6
471.03265	1.1
485.05136	92.3
486.05624	15.4
487.06360	6.5
487.34399	30.3
487.41592	1.1
502.05420	2.4
503.06152	2.1
565.19019	1.0
648.35907	3.4
649.11975	49.6
649.37036	22.9
650.12323	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	649.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52600	2.1
54.40092	2.1
71.49238	3.1
71.49712	2.6
75.44856	2.0
95.01246	2.9
111.00761	6.3
125.02355	5.0
137.02339	2.7
139.00294	5.3
145.02847	3.7
161.02332	5.1
165.01776	2.7
166.99768	7.7
169.01358	2.5
189.01820	3.1
191.05394	2.3
201.01808	3.9
203.03439	2.2
205.01370	2.7
217.01326	3.6
219.03024	2.8
229.01256	4.7
231.02908	3.1
245.00908	4.3
247.02530	2.9
257.00867	4.6
261.00360	2.5
270.98907	3.4
273.00394	3.9
275.02017	23.0
298.98447	4.0
299.99118	3.7
300.99878	72.2
302.00284	9.0
315.98624	4.6
316.99362	100.0
317.99673	9.4
326.07910	4.2
327.08893	2.6
463.05283	8.5
481.06226	49.1
482.06549	7.8
566.52478	2.2
613.04419	7.4
621.09052	2.2
649.06781	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	649.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01245	4.6
61.98687	3.6
71.01241	3.3
71.62287	0.8
73.02813	1.0
78.95763	0.9
80.44723	0.9
85.02809	1.4
87.00735	0.9
88.98664	2.4
89.02299	3.0
95.01237	1.3
96.95886	17.8
96.96838	1.1
98.20653	2.0
101.02299	1.8
109.02834	1.7
113.02321	1.2
116.92696	1.0
117.01801	1.0
123.04437	1.5
125.02345	5.0
133.02791	1.1
135.02884	1.6
135.04384	1.4
137.02277	2.2
145.02797	1.3
151.00220	1.1
151.03893	1.1
161.02327	2.3
163.03915	0.9
164.04749	1.1
165.01775	3.1
169.01294	5.2
173.04416	0.9
174.03128	1.0
175.03958	1.8
177.01756	1.0
179.03395	1.0
190.02652	1.5
191.05573	1.2
193.01398	1.3
198.03163	0.9
201.11269	1.9
205.87288	0.8
209.06076	1.1
209.11816	1.0
222.03165	8.1
223.03665	1.3
224.04752	1.1
225.05386	2.5
229.83826	0.9
229.85927	1.0
230.01344	0.8
235.03970	1.8
240.04097	3.5
250.02737	9.5
251.03304	1.5
252.03981	1.4
253.04933	4.2
267.03033	1.0
268.03687	1.7
271.02466	1.4
275.01932	1.9
278.02191	16.0
279.02960	7.0
280.03586	2.2
281.04446	3.1
295.02429	2.6
296.03162	2.5
299.98972	1.4
300.99683	2.6
302.00104	1.6
306.01392	1.0
307.02484	14.8
308.02972	3.2
315.04999	2.6
323.01868	2.1
324.02725	100.0
325.03473	85.8
325.06638	0.7
325.07608	1.7
326.03748	6.3
447.22076	1.1
473.10818	1.5
487.08789	83.4
488.09048	10.6
503.09454	1.1
548.08026	1.1
557.73627	1.1
649.11810	42.1
649.29907	1.6
650.11786	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	647.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01294	0.8
52.04066	0.9
59.01246	9.0
61.98705	0.8
66.16581	0.7
71.41972	2.1
84.57064	1.0
87.03927	0.8
105.03323	3.1
118.62749	0.8
123.04318	0.9
123.16100	0.9
132.02069	8.6
133.02855	22.3
134.03574	3.3
149.05960	1.9
160.01559	40.6
161.01920	1.4
175.03920	47.8
176.04239	2.4
177.01842	4.7
193.04970	1.4
239.30988	0.9
241.43748	0.8
397.76154	1.0
632.37152	4.6
633.37451	2.2
647.39453	100.0
648.39862	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	648.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
57.50100	0.9
59.01239	4.3
61.98700	22.5
65.00170	1.1
70.00217	1.0
71.01257	6.9
71.51531	1.3
72.99194	1.0
73.02821	1.4
81.03337	1.5
83.01251	2.8
85.02825	2.7
88.98682	1.8
89.02310	2.4
93.03367	1.1
95.01247	1.6
96.95896	1.2
98.57302	1.0
101.02336	3.3
107.01274	6.7
108.02016	1.0
109.02821	1.1
113.02328	2.6
122.03616	0.9
123.00740	6.2
123.04358	1.9
124.01555	6.5
125.02335	41.1
139.00278	2.7
139.03876	4.3
140.01088	1.5
149.02379	1.5
149.05952	1.9
151.00259	4.5
151.99812	1.2
152.01050	22.5
161.02293	2.0
165.01878	1.8
167.03398	1.5
168.00575	2.2
169.01338	46.8
170.01680	1.8
174.03140	1.4
175.03909	12.4
183.02907	4.0
191.05478	1.0
196.46898	1.0
199.03719	1.1
209.11755	2.7
211.02370	1.5
213.09084	5.3
225.03831	1.0
239.07098	1.3
256.07379	3.2
257.08151	20.8
258.08472	1.2
271.09705	21.7
272.10007	1.8
281.08008	1.6
299.09015	1.1
300.99838	2.4
306.36630	1.0
313.05630	26.3
314.06137	2.0
327.07407	1.5
339.30975	1.2
453.10260	1.3
485.33228	2.1
486.07452	4.1
486.33075	2.0
487.34378	1.5
573.42407	1.4
585.16113	100.0
586.16370	17.6
647.34863	2.1
648.35889	1.6
649.13196	1.8
649.27966	2.2
649.36890	1.3
651.19940	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	647.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87774	0.7
59.01242	2.5
69.35271	1.9
69.35672	4.4
78.95757	0.9
84.77715	0.7
95.04898	1.1
98.20641	0.9
105.03343	3.2
109.36026	0.7
119.04953	0.7
129.40074	0.9
132.02045	6.6
133.02855	23.2
134.03702	3.4
136.01596	0.7
136.88162	0.7
140.45160	0.7
147.54802	0.7
149.05971	1.8
160.01570	39.8
161.01982	2.4
163.03894	0.7
164.83458	0.8
175.03926	43.9
176.04263	2.4
177.01837	5.3
192.04286	0.8
193.04921	1.9
253.21776	0.9
265.28006	0.7
397.68106	0.9
453.33255	1.6
494.49435	0.8
632.37195	4.8
633.37640	1.5
647.39490	100.0
648.39819	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	647.3801
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
57.03315	0.8
59.01241	5.2
61.98695	9.4
62.90031	0.5
69.30655	1.7
69.31077	3.0
71.01257	2.5
73.02778	0.5
78.95793	0.7
83.04884	0.5
87.00741	0.6
88.98684	1.2
89.02307	1.5
89.70245	0.5
99.00764	0.6
101.02315	1.3
101.06000	0.5
113.02345	1.0
116.92815	0.6
119.03415	0.5
123.04379	1.3
125.02301	1.4
131.03401	0.6
133.01259	0.7
142.11781	0.5
160.48267	0.5
161.02313	0.6
169.01320	1.0
171.10168	1.6
175.03955	2.3
197.11787	1.6
209.11768	1.1
290.05426	0.5
300.99881	0.9
355.25204	0.6
421.31006	0.8
423.32681	8.2
424.32944	1.4
439.31808	2.6
467.31595	2.5
468.32278	0.6
477.14465	0.6
485.32718	48.4
486.32925	8.7
647.37988	100.0
648.38373	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	647.3954
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
52.20235	0.4
53.67758	0.5
53.79667	0.4
56.52619	0.4
59.01238	1.7
61.27364	0.4
61.98690	0.5
69.38640	0.5
69.73994	0.4
74.51879	0.4
78.95757	0.5
95.04887	0.7
101.82643	0.5
105.03354	3.0
132.02066	7.6
133.02852	22.3
134.03680	3.7
136.01578	0.7
140.81410	0.4
147.04408	0.9
149.05994	2.3
160.01570	39.8
161.01979	1.7
175.03931	43.7
176.04219	1.8
177.01846	4.4
178.02545	0.4
193.04988	2.0
194.85172	0.4
369.41260	0.5
453.33603	1.3
497.32901	0.9
573.36151	0.7
632.36987	6.5
633.37750	0.9
647.39514	100.0
648.39813	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	647.1981
Annotation	Cyclomaltodextrin
Peak:m/z	Relative Intensity
56.29164	0.9
59.01242	3.0
61.98687	2.1
69.50529	5.6
69.50944	2.0
71.01247	2.5
71.62337	0.8
73.02848	1.1
80.73484	0.9
83.01254	1.1
89.02327	1.4
95.01259	1.0
96.95882	3.8
107.01266	3.1
108.02080	2.1
109.02825	2.2
121.02853	2.0
123.00787	1.0
125.02319	3.8
135.04375	2.5
137.02353	1.6
140.96973	1.0
148.01563	1.7
149.02251	0.9
151.00247	13.0
161.02354	1.7
163.00235	2.2
165.01865	1.3
169.01393	1.6
173.04500	1.0
175.03941	1.4
177.01941	0.9
178.99800	5.9
180.53635	0.9
183.04401	0.9
190.02608	1.9
191.05466	1.6
197.04404	1.4
203.03384	1.1
205.04977	1.5
226.02618	2.8
227.03403	3.1
229.05037	1.3
243.02895	9.8
244.03413	1.2
245.04532	1.0
254.02106	3.7
255.00348	1.5
255.02971	28.0
256.03305	2.2
257.00919	1.0
271.02460	60.3
272.02942	5.5
273.03485	1.5
275.01917	3.0
279.53622	1.1
289.06943	1.2
299.01959	1.1
300.02731	100.0
300.99875	8.8
301.03381	45.4
302.03726	3.2
322.07932	0.9
341.74359	1.0
383.51740	1.2
405.77185	1.0
463.08850	37.5
464.09030	3.4
626.75214	1.0
647.19739	70.0
648.20282	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	647.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86242	0.3
57.97996	0.3
59.01242	0.5
61.98689	0.8
63.02247	0.6
63.67668	0.3
65.00181	1.3
65.36107	0.3
69.49992	1.3
69.50395	0.9
71.01224	0.4
83.01250	1.0
89.02317	0.6
91.01729	0.4
93.03323	0.4
96.95919	1.5
107.01293	2.5
108.02061	2.2
109.02847	2.0
111.00726	0.5
119.01343	0.3
121.02815	1.5
125.02320	0.9
127.69862	0.4
135.00768	0.9
135.04416	0.8
137.02336	0.6
145.02849	0.6
148.01532	2.0
149.02307	0.4
151.00269	11.8
152.00914	0.5
159.04401	0.4
161.02338	0.7
163.00275	3.1
163.03830	0.4
164.01013	1.0
164.04703	0.4
165.01830	0.7
169.01303	1.1
175.03810	0.5
178.99773	5.3
179.03381	0.7
183.04434	0.7
185.02351	0.3
187.03853	0.8
190.28992	0.3
191.05521	0.4
193.01324	0.4
198.76038	0.3
199.03943	0.9
201.01874	0.6
201.05484	0.4
203.03366	0.9
211.03876	1.5
215.03442	0.5
216.04269	0.7
226.02663	1.2
227.03455	2.8
229.01395	0.5
229.04883	0.5
231.02902	0.4
235.47878	0.3
243.02948	12.7
244.03291	1.2
245.04480	1.4
254.02222	2.6
255.02953	29.4
256.03397	1.9
257.00659	0.4
258.01599	0.4
271.02466	64.8
272.02960	5.3
273.04025	1.1
275.01944	1.4
283.02478	1.5
289.07312	0.5
299.02084	1.8
300.02725	100.0
300.99933	3.6
301.03424	44.0
302.03787	3.0
343.04507	0.6
445.07907	0.5
463.08817	36.7
464.09027	3.9
647.19806	72.3
648.20148	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	647.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27464	2.7
59.01233	6.1
65.00185	5.7
69.69777	18.8
71.01232	6.9
73.02821	4.5
75.00732	5.5
76.32359	2.7
79.95608	5.8
83.01254	6.3
85.02843	3.1
86.01318	2.9
87.00751	5.3
89.02353	3.0
90.19364	2.7
93.03307	3.3
94.21146	2.7
95.01250	4.5
96.95891	21.9
96.99189	3.1
101.02296	3.4
107.01260	12.4
109.02811	6.8
111.00754	10.1
113.02322	2.8
121.02813	3.1
123.00749	10.7
124.01519	3.6
125.02333	35.6
133.02802	3.5
135.00755	2.8
135.02899	6.0
135.04323	4.5
137.02333	4.1
137.99518	3.3
139.00266	20.4
141.01793	3.0
145.02863	5.3
149.02325	5.3
151.00267	31.7
152.00822	4.7
154.99707	5.4
159.04411	5.1
161.02312	4.8
163.00282	8.3
164.98213	3.4
165.01741	3.6
165.98985	5.3
166.99774	17.7
168.00528	6.8
169.01338	38.1
171.04485	5.0
175.03976	6.5
175.05788	2.6
177.01804	3.8
178.99788	31.6
181.01254	6.1
182.99231	4.7
187.03958	8.1
189.01840	4.9
191.03508	3.4
191.05539	5.1
192.00577	4.3
193.01340	4.3
199.03874	5.2
201.01830	4.1
203.03442	9.6
206.99080	3.3
211.02376	10.2
213.01877	3.5
215.03505	7.1
227.03439	5.2
229.01302	4.3
231.02841	7.1
243.02835	13.8
245.00746	4.4
255.02866	7.6
257.00943	7.4
259.02423	8.6
261.00211	4.1
270.01596	3.9
271.02277	32.6
271.04681	7.7
272.02661	3.5
279.02710	3.6
287.01996	37.1
288.02399	5.3
289.03287	3.2
293.04782	3.5
297.00400	12.6
299.02051	22.8
299.99667	4.2
300.02664	25.2
301.00342	3.7
301.03406	21.2
313.05502	10.1
314.00516	6.5
314.45145	2.8
315.01450	100.0
316.02084	26.1
317.03012	8.5
332.01727	7.7
333.02493	4.0
371.42847	3.1
391.52902	3.5
417.87018	3.0
439.10583	8.6
463.08698	9.5
467.02426	8.6
477.06403	9.2
479.08292	31.1
480.08499	6.4
495.07861	10.9
603.08813	3.8
605.45746	3.2
613.08051	4.3
629.07660	26.4
630.08051	8.2
636.32294	3.4
645.85248	2.9
647.08630	37.1
648.08966	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	646.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.0
61.98699	13.4
65.00186	1.4
70.43593	0.5
71.01241	1.0
87.00729	0.8
89.02325	0.8
93.03332	1.3
96.95887	3.8
98.19727	1.0
107.01248	1.8
108.02045	2.4
109.02821	2.4
115.93964	0.5
121.02821	1.9
123.00713	0.7
125.02352	2.0
130.88049	0.6
135.00749	1.0
135.04396	1.8
137.02315	2.6
145.02838	0.9
148.01479	1.7
149.02335	1.4
150.03120	2.6
151.00270	9.3
151.03627	0.8
152.01006	0.7
153.01797	0.8
159.04390	0.8
161.02382	1.4
163.00246	2.1
163.03841	0.8
164.00989	0.7
165.01813	2.6
165.05470	3.0
166.02278	0.6
166.05911	0.7
168.83672	0.6
169.01382	1.5
175.03969	1.0
177.01816	0.7
178.99760	4.9
179.03441	1.3
180.04149	1.4
181.04961	1.0
181.08652	0.9
187.03915	1.1
189.01936	1.0
190.99655	1.0
193.01242	0.9
193.05048	0.8
195.06516	1.8
199.03853	1.0
203.03554	0.7
205.04936	0.6
211.03990	0.7
215.03244	0.7
221.04523	0.8
225.07582	1.7
226.02641	1.4
227.03471	2.9
227.12854	1.4
243.02950	9.2
244.03267	0.9
245.04510	0.8
254.02307	1.4
255.00266	1.1
255.02982	23.0
256.03326	2.7
271.02463	46.0
272.02930	6.5
273.03775	0.8
275.01978	1.1
283.02444	1.0
289.07272	1.0
299.01968	1.6
300.02725	100.0
300.99893	2.9
301.03375	32.5
302.03845	1.3
311.07797	2.3
374.15945	0.6
463.08875	11.1
464.08887	1.4
583.10913	92.0
584.11255	15.1
645.25659	0.9
646.27191	2.5
647.16687	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	645.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
58.00478	2.0
59.01249	75.4
60.01574	1.2
61.98687	3.0
71.01254	16.5
71.51369	1.9
72.99171	1.9
73.02805	9.2
83.01238	5.3
85.02799	6.2
87.00750	3.9
89.02311	4.9
93.03317	1.3
95.01280	1.9
96.95892	3.8
101.02327	10.2
102.07368	1.0
107.40187	1.1
108.02044	4.3
109.02836	3.6
109.06425	1.4
113.02344	6.7
113.18151	1.1
117.03346	5.2
119.03368	3.4
119.04863	2.6
120.99535	1.9
121.02846	3.1
122.03622	1.5
123.04385	3.4
125.02322	6.2
133.02855	2.5
135.04404	4.3
137.02325	3.4
143.03418	1.4
145.02841	20.9
146.03667	7.0
147.04428	5.6
149.02383	2.6
149.04457	1.7
150.03117	2.2
151.00249	1.7
151.03918	1.6
152.01204	1.7
153.01799	1.6
153.11041	1.1
161.02354	22.3
161.04483	1.9
161.05966	2.4
162.03136	25.3
163.00227	1.8
163.03937	6.0
165.01860	7.1
165.05559	1.2
167.39655	1.1
169.01340	3.6
173.02287	1.5
175.03879	2.3
177.05473	6.0
178.02644	1.2
179.03441	2.8
179.07080	1.2
180.04243	8.3
189.01826	3.4
193.01564	1.2
193.04936	1.6
195.06560	15.6
197.94414	3.2
203.03448	1.3
207.13899	3.3
209.11768	4.6
219.06593	3.4
225.07649	4.6
225.14928	11.6
227.12845	39.5
228.13106	2.7
233.11749	1.3
243.02907	1.2
251.12648	1.7
255.02982	2.8
256.03296	2.2
257.04178	1.5
269.13959	4.3
271.02515	5.5
272.02896	4.8
273.02960	3.2
287.15045	8.2
300.02664	8.2
300.99783	2.8
301.03168	6.6
302.03320	5.6
303.04224	1.3
307.05786	1.2
321.07413	1.5
339.10666	5.0
341.06641	1.3
357.11792	5.9
359.11331	2.0
361.00507	3.7
399.12625	1.9
419.17242	3.1
597.23486	3.3
609.25299	3.9
627.17120	1.9
627.26593	15.1
628.27087	3.3
645.14447	11.4
645.27606	100.0
646.16022	1.8
646.28040	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	645.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.7
58.00464	3.8
59.01247	71.0
59.08981	1.4
61.98707	6.9
69.19209	3.0
69.19630	12.2
71.01257	6.3
72.99185	3.5
73.02812	4.7
81.03283	1.4
83.01251	4.6
85.02838	3.6
87.00751	6.2
88.98661	1.5
93.03384	1.7
96.95885	8.7
97.06515	1.3
98.19823	2.1
99.00769	1.7
99.04390	2.2
100.92207	1.5
101.02314	3.0
108.02030	1.9
109.02816	3.2
111.00765	1.5
117.03355	1.9
120.99511	1.9
121.02837	3.5
122.03616	3.8
123.04399	5.0
124.01538	1.5
125.02310	4.2
135.04398	3.4
137.02333	4.0
137.06018	1.8
145.02840	4.3
149.02351	26.7
150.03122	85.3
151.00261	2.6
151.03799	3.3
161.01126	1.6
161.02354	6.2
162.03098	5.5
163.03967	6.7
163.05084	1.5
164.04715	15.0
165.01865	12.7
165.05470	85.1
165.12770	2.5
166.05785	3.2
167.98062	1.4
169.01173	1.8
173.04381	1.5
177.05493	2.8
179.03395	3.4
180.02747	2.0
180.04141	11.1
181.04796	1.4
188.04805	1.4
189.01813	2.5
191.05574	2.6
193.04858	1.6
195.06541	37.4
196.06984	2.2
207.06566	1.9
207.13847	3.6
209.11768	4.8
225.07628	8.0
225.14954	9.0
227.12843	42.0
228.13248	2.5
229.01413	1.8
243.03067	2.8
251.12798	1.5
255.02979	3.3
269.13892	3.8
271.02426	8.3
287.15073	5.5
289.07062	1.9
300.02573	13.8
300.05084	1.2
301.00128	2.3
301.03503	3.6
309.09756	5.7
344.87613	1.7
357.11819	1.7
359.11423	1.8
369.11960	4.4
419.17407	2.6
431.19135	2.5
463.09262	2.6
503.21082	1.6
579.24365	1.7
583.10938	11.4
597.25879	3.2
609.25519	2.6
627.26660	19.8
628.26740	3.9
645.27643	100.0
646.28058	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	643.37
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83309	0.7
55.01748	1.0
55.85118	0.7
57.03315	2.8
59.01246	100.0
60.01589	1.8
60.99207	0.7
61.98694	4.9
68.99699	0.9
71.01254	16.5
72.99176	1.7
73.02808	5.2
75.00755	1.2
78.47156	0.7
78.95800	1.0
79.32470	0.8
83.01241	2.2
83.04883	1.1
85.02816	9.0
87.00749	2.9
89.02299	4.0
93.03339	1.3
95.01274	1.8
96.41786	0.8
96.95886	2.7
97.02841	1.2
97.06441	0.8
99.00766	1.7
99.04410	2.2
101.02322	10.4
107.01342	0.9
109.02843	2.2
109.06450	0.8
111.00797	0.9
113.02330	5.7
119.04907	1.2
121.02868	1.7
121.06442	1.3
123.00819	1.6
123.04372	1.7
125.02324	7.8
135.04384	1.4
136.05173	2.0
137.02336	7.6
149.05963	1.1
151.00269	2.3
161.02315	1.9
161.04430	2.5
164.01117	1.2
165.01839	34.6
165.05508	0.8
165.09097	1.5
165.12836	1.2
166.02603	3.8
167.03415	1.8
169.01338	3.2
175.03931	2.3
179.03413	5.7
180.04193	18.4
181.05023	5.5
187.03937	1.0
190.02623	0.9
191.05487	0.9
195.06529	23.0
196.06898	0.8
197.11787	4.1
203.03476	0.8
207.13857	3.6
209.11754	10.9
210.05373	3.9
225.07634	19.8
225.14899	6.8
226.07961	1.3
227.12846	30.7
228.13197	2.6
243.03043	1.3
254.07767	0.8
269.13879	2.0
270.98889	2.5
271.02466	2.7
272.02734	1.2
289.07230	1.2
298.98337	2.6
299.01892	1.6
299.99197	9.2
300.02325	1.6
300.99771	2.0
314.00864	1.8
314.04254	2.0
315.01526	7.8
315.05151	4.5
317.05408	1.1
349.20129	1.1
373.22504	1.6
387.14844	1.4
403.14169	1.2
417.15561	4.3
461.10727	1.1
480.04694	0.9
481.05588	6.2
481.28091	2.1
481.35873	1.0
482.05310	1.5
491.08792	1.5
595.21906	1.7
625.36090	7.6
626.36749	1.3
643.17822	7.4
643.37073	99.4
644.19995	1.4
644.37573	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	645.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13708	0.4
59.01230	0.5
63.02246	0.6
65.00185	1.1
66.22489	0.5
69.21434	0.4
69.53796	0.4
83.01244	1.1
84.06084	0.5
93.03275	0.5
95.93787	0.4
96.95879	0.5
97.84943	0.4
98.19781	1.3
98.62457	0.4
107.01250	2.3
108.02056	1.6
109.02850	1.4
121.02826	1.6
125.02314	0.6
135.00760	0.9
139.40622	0.4
147.70125	0.4
148.01520	1.3
149.02258	0.5
151.00262	9.1
152.00864	0.5
159.04382	0.6
163.00264	2.1
164.01062	0.6
165.01857	0.8
169.01353	0.7
170.96194	0.4
175.03896	0.5
178.99759	4.2
179.03532	0.4
180.04288	0.4
183.04340	0.4
187.03943	0.7
192.00560	0.6
195.06622	0.5
199.03906	1.0
199.87933	0.6
201.01999	0.5
203.03432	0.4
211.03961	0.8
215.03351	1.0
216.04199	0.5
225.07570	0.7
226.02684	2.0
227.03445	3.4
228.04106	0.5
229.04985	1.0
229.88901	0.6
243.02936	12.8
244.03418	0.9
245.04425	0.8
245.93675	0.4
254.02139	2.9
255.02943	28.5
256.03317	1.8
271.02441	63.5
272.02866	6.5
273.03891	1.0
283.02295	0.8
299.02048	2.4
300.02713	100.0
301.03421	42.2
302.03766	3.7
313.29886	0.5
343.04556	0.7
445.07663	0.6
447.82886	0.4
463.08780	55.7
464.09085	6.9
568.36121	0.5
645.18164	61.1
646.18524	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	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52027	0.2
51.91017	0.3
53.05942	0.2
55.01761	0.3
58.00463	0.3
59.01253	4.3
61.98705	2.7
64.75476	0.2
66.16628	0.2
69.03326	1.0
70.16433	0.3
70.16770	1.0
71.01252	3.4
72.99185	0.3
73.02825	1.4
80.02556	0.7
81.03316	1.2
83.01254	0.7
83.04893	4.0
84.02048	0.9
85.02815	1.1
86.70659	0.2
87.00742	0.7
89.02323	2.4
92.29482	0.3
93.03339	0.3
95.04900	0.7
96.95877	0.4
97.02812	0.3
97.06441	0.5
99.00752	0.3
101.02317	3.1
109.06464	0.3
111.83474	0.3
113.02344	2.1
119.03423	0.6
121.02871	0.3
123.04420	0.4
125.02341	0.4
125.05995	0.3
125.09586	0.7
127.11204	0.3
135.08067	0.8
137.02312	0.7
139.03908	0.3
141.09062	0.4
143.03447	0.4
145.04881	0.4
151.11198	0.3
153.12769	1.4
161.02333	0.4
161.04466	1.7
163.11200	3.2
165.01872	2.2
165.12788	1.6
166.02600	0.4
167.10603	0.3
169.01352	0.4
169.12256	6.7
171.10159	1.2
175.03937	0.5
179.03387	0.8
179.05557	0.6
179.10664	0.9
179.14380	0.3
180.04221	0.8
181.04951	0.5
183.10139	0.4
187.04021	0.3
189.01936	0.2
191.10666	0.7
195.06592	1.7
195.13802	0.8
197.11757	100.0
198.12099	6.1
201.11258	8.4
202.11575	0.4
205.12347	0.4
209.11765	81.3
210.05319	0.3
210.12119	5.5
210.14078	0.2
211.13503	0.3
223.13338	5.6
225.07664	1.2
227.12831	12.3
228.13156	0.7
235.08191	3.8
235.13191	1.2
236.08495	0.3
253.09262	9.4
254.09605	0.4
271.02396	0.6
295.10641	0.3
300.02701	0.3
300.99884	0.4
330.05038	0.3
352.49945	0.2
358.09903	0.2
371.22147	0.4
389.23349	0.8
407.24301	0.6
408.36295	0.3
417.15469	0.7
433.20752	4.4
434.21585	0.3
437.20288	0.3
445.20663	0.8
459.22528	1.1
481.09433	0.3
489.05902	0.4
507.06696	0.3
535.25098	0.3
595.21765	0.8
607.31244	0.9
625.32166	1.0
643.12744	0.6
643.34729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.37
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83309	0.7
55.01748	1.0
55.85118	0.7
57.03315	2.8
59.01246	100.0
60.01589	1.8
60.99207	0.7
61.98694	4.9
68.99699	0.9
71.01254	16.5
72.99176	1.7
73.02808	5.2
75.00755	1.2
78.47156	0.7
78.95800	1.0
79.32470	0.8
83.01241	2.2
83.04883	1.1
85.02816	9.0
87.00749	2.9
89.02299	4.0
93.03339	1.3
95.01274	1.8
96.41786	0.8
96.95886	2.7
97.02841	1.2
97.06441	0.8
99.00766	1.7
99.04410	2.2
101.02322	10.4
107.01342	0.9
109.02843	2.2
109.06450	0.8
111.00797	0.9
113.02330	5.7
119.04907	1.2
121.02868	1.7
121.06442	1.3
123.00819	1.6
123.04372	1.7
125.02324	7.8
135.04384	1.4
136.05173	2.0
137.02336	7.6
149.05963	1.1
151.00269	2.3
161.02315	1.9
161.04430	2.5
164.01117	1.2
165.01839	34.6
165.05508	0.8
165.09097	1.5
165.12836	1.2
166.02603	3.8
167.03415	1.8
169.01338	3.2
175.03931	2.3
179.03413	5.7
180.04193	18.4
181.05023	5.5
187.03937	1.0
190.02623	0.9
191.05487	0.9
195.06529	23.0
196.06898	0.8
197.11787	4.1
203.03476	0.8
207.13857	3.6
209.11754	10.9
210.05373	3.9
225.07634	19.8
225.14899	6.8
226.07961	1.3
227.12846	30.7
228.13197	2.6
243.03043	1.3
254.07767	0.8
269.13879	2.0
270.98889	2.5
271.02466	2.7
272.02734	1.2
289.07230	1.2
298.98337	2.6
299.01892	1.6
299.99197	9.2
300.02325	1.6
300.99771	2.0
314.00864	1.8
314.04254	2.0
315.01526	7.8
315.05151	4.5
317.05408	1.1
349.20129	1.1
373.22504	1.6
387.14844	1.4
403.14169	1.2
417.15561	4.3
461.10727	1.1
480.04694	0.9
481.05588	6.2
481.28091	2.1
481.35873	1.0
482.05310	1.5
491.08792	1.5
595.21906	1.7
625.36090	7.6
626.36749	1.3
643.17822	7.4
643.37073	99.4
644.19995	1.4
644.37573	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	643.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74717	0.2
53.79187	0.2
55.01751	0.3
57.03326	0.3
58.00474	0.2
59.01243	4.0
61.98694	0.8
69.03320	0.6
71.01254	3.3
71.08453	0.4
73.02818	0.7
80.02547	1.0
81.03331	0.9
83.01231	0.5
83.04898	4.1
84.02048	0.5
84.05197	0.2
85.02837	0.7
87.00771	0.7
89.02316	2.0
95.04898	0.5
96.95928	0.3
101.02331	2.3
113.02357	1.3
119.03400	0.6
123.08063	0.3
125.02339	0.3
125.05967	0.5
125.09591	0.4
135.08080	0.6
137.09586	0.3
143.03336	0.2
151.85159	0.2
153.09081	0.4
153.12753	0.9
153.89481	0.2
161.04503	1.1
163.11201	3.4
164.11455	0.2
165.12775	1.7
166.13097	0.3
169.12259	5.5
170.12633	0.3
171.10155	1.3
178.43538	0.2
179.05502	0.5
179.10706	0.5
181.12291	0.5
191.10764	0.8
197.11755	86.5
198.12091	5.6
199.13367	0.3
201.11273	1.2
209.11763	100.0
210.12114	6.3
223.13338	1.4
227.12833	13.8
228.13170	0.5
235.08174	2.9
235.13367	0.9
236.08540	0.3
242.63881	0.2
253.09261	10.0
254.09596	0.6
282.61533	0.2
369.93713	0.3
389.23413	0.6
407.24088	0.4
415.19669	0.5
433.20825	2.6
445.20941	1.3
446.20651	0.3
607.31134	0.7
608.31696	0.4
625.31812	0.4
643.33044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00418	0.7
56.25653	0.6
59.01258	1.6
61.98690	2.8
67.01762	1.6
69.22656	7.0
71.01247	1.3
80.80788	0.6
95.01256	1.0
95.04765	0.6
96.95895	1.4
109.02828	4.7
121.02796	0.9
123.00766	1.6
123.04404	1.6
124.01537	1.0
125.02354	2.5
135.04391	1.4
136.01556	1.4
137.02336	27.1
139.03903	0.7
149.02364	1.9
149.05991	0.7
150.03152	3.0
151.00276	5.9
151.03859	4.6
152.01019	1.3
152.04666	1.6
153.01840	0.8
161.02330	1.3
163.03912	1.1
164.01050	2.9
164.04716	1.1
165.01836	100.0
165.05447	3.3
166.02609	16.4
167.03358	2.4
175.03873	2.1
177.01860	1.3
177.05516	1.1
178.02609	0.8
179.03409	20.4
179.07062	0.7
180.04196	58.2
181.04968	21.7
182.05386	0.7
187.03902	1.8
188.97545	0.6
189.01881	0.8
190.02573	0.9
191.03288	0.8
192.04137	1.4
193.04912	0.9
194.05748	4.4
195.02835	2.6
195.06548	72.0
196.06918	2.9
205.05006	4.8
207.06464	1.0
210.05251	11.5
211.05713	0.7
213.84645	0.7
219.06570	1.1
220.07265	2.3
225.07625	57.4
226.07922	2.7
235.09732	1.0
257.08276	1.0
270.98944	0.8
299.99136	3.1
301.03519	0.8
315.01443	1.8
324.02536	1.2
325.03430	1.0
343.11899	0.7
355.62546	0.7
359.11298	2.7
372.12088	0.9
387.10818	1.9
387.14938	6.8
402.13113	1.8
403.13773	1.9
411.05347	0.7
416.14456	0.9
417.15518	24.5
418.15836	3.6
535.16724	0.7
565.20074	2.6
577.20465	0.9
580.19025	0.9
581.20667	1.0
593.48578	0.9
595.21838	38.5
596.22028	6.9
643.16486	2.3
643.26135	1.0
643.36841	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	643.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
58.27910	0.3
59.01248	3.0
61.98704	9.4
63.02261	0.9
65.00184	2.0
65.30265	0.3
65.46755	0.3
65.66637	0.3
71.01246	2.1
71.50944	0.6
72.99189	0.4
74.98967	0.7
75.90940	0.5
76.21739	0.4
78.91762	3.4
78.95756	0.6
83.01251	1.8
85.02814	0.7
87.00745	0.6
88.98652	1.3
89.02319	1.1
93.03344	1.8
95.01273	0.6
95.04872	0.8
96.95889	1.5
97.02836	0.5
99.09130	0.4
101.02328	0.7
107.01264	4.2
108.02054	1.6
109.02837	3.9
111.00732	0.5
113.02324	1.1
119.01272	0.7
121.02839	4.3
121.69750	0.4
123.00784	0.6
123.04426	1.0
124.01532	0.5
125.02312	2.4
135.00783	1.3
135.04384	1.1
137.02380	1.9
139.00284	0.4
144.83321	0.4
145.02858	0.9
147.00781	0.4
148.01558	1.4
149.02347	1.2
150.02994	0.5
151.00270	18.7
152.00940	0.5
153.01822	0.5
159.04422	0.8
161.02319	0.9
161.05949	0.5
163.00284	3.2
163.03827	0.8
164.01019	0.7
165.01848	1.8
169.01352	2.7
174.03194	0.4
175.03891	0.7
177.01947	0.6
178.99786	8.9
179.03418	0.5
183.04483	0.7
187.03897	1.3
187.07646	0.5
189.01831	0.6
189.05473	0.4
190.99718	0.6
191.03336	0.6
191.05539	0.4
192.00494	0.5
193.01416	0.5
198.03194	0.4
199.03867	1.1
201.05447	0.7
201.11205	0.4
203.03487	0.6
205.05109	0.6
209.11803	1.1
211.03975	1.7
215.03429	1.0
216.04272	0.5
226.02655	1.7
227.03461	4.3
227.12836	0.9
228.04169	0.6
229.04962	1.5
239.03511	0.7
243.02963	9.1
243.05550	0.6
243.06363	0.4
244.03534	1.1
245.04500	1.9
254.02278	1.9
255.02959	24.2
256.03351	2.2
257.04654	0.5
266.02243	0.5
271.02454	46.9
272.02933	4.0
273.04028	1.9
275.02316	0.4
281.04633	0.5
283.02475	2.6
284.03220	0.5
298.98383	0.7
299.02005	1.3
300.00031	1.6
300.02722	61.8
301.03491	100.0
302.03821	7.1
315.01523	0.6
315.05017	1.4
318.13275	0.5
324.02902	0.4
325.03571	0.8
341.06622	0.7
342.06677	0.7
343.04523	0.6
355.13876	0.6
371.11047	0.4
407.07803	0.9
459.07047	0.6
463.08810	8.3
464.09106	0.8
491.08521	1.5
569.10834	4.9
570.11188	0.9
587.20386	0.4
599.17700	17.4
600.18115	2.1
625.28473	0.4
643.16650	16.8
643.29218	3.4
644.16614	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	643.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18717	0.4
59.01250	3.0
61.98703	9.3
63.02259	1.4
65.00182	2.5
71.01241	2.3
73.02808	0.9
78.91759	4.4
78.95773	0.9
82.30443	0.4
82.57117	0.5
83.01260	1.8
85.02824	0.8
87.00744	0.5
88.78242	0.5
88.98685	1.0
89.02332	0.7
89.29604	0.4
91.01781	0.4
93.03328	1.4
96.95876	1.8
101.02324	1.2
107.01288	4.6
108.02066	2.1
109.02832	4.0
113.02329	0.7
120.99494	0.5
121.02820	4.6
123.04389	0.8
124.01477	0.5
125.02345	2.4
135.00772	1.2
135.02859	0.6
135.04414	1.0
136.98997	0.9
137.02362	2.1
139.03871	0.5
147.04463	0.5
148.01549	1.4
149.02307	0.9
151.00267	16.8
151.03926	0.5
152.00906	0.6
159.04326	0.7
159.40349	0.5
160.01598	0.5
161.02318	1.1
163.00291	3.3
163.03926	1.0
164.00958	0.9
165.01816	1.7
167.03345	0.5
169.01343	1.9
171.04417	0.6
173.06081	0.5
175.03918	1.8
177.01917	0.8
178.99765	8.8
179.03442	0.6
180.00298	0.5
183.04424	0.7
187.03928	0.6
190.99796	0.5
191.05618	0.7
193.01324	0.9
197.11731	0.5
199.03918	1.0
201.01924	0.9
205.04979	0.6
209.11797	0.9
211.03926	1.5
215.03459	0.7
216.04173	1.2
226.02702	1.2
227.03496	3.4
227.12804	0.6
228.03934	0.6
229.04955	1.5
230.02258	0.6
239.03215	0.6
243.02969	8.6
244.03549	0.8
245.04483	1.5
254.02245	1.8
255.02972	19.3
256.03232	2.2
257.04565	0.7
271.02466	45.4
272.02890	5.1
273.04028	2.0
281.04507	0.5
283.02377	2.3
289.07401	0.6
298.98563	0.6
299.01947	1.8
300.00085	1.4
300.02731	58.8
301.03494	100.0
302.03836	8.4
315.01767	0.6
315.04965	1.0
324.02658	0.9
325.03387	0.5
341.12854	0.5
446.55984	0.5
463.08807	9.3
463.14832	0.8
464.09125	1.1
471.90845	0.5
491.08160	0.8
512.30237	0.5
539.73364	0.5
569.10858	1.7
570.11102	0.5
599.17615	19.3
600.17993	2.8
625.15753	0.7
643.16663	17.2
643.29230	4.1
644.17084	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	643.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.9
60.74161	0.4
61.98697	3.3
63.02265	1.1
65.00190	2.0
71.01258	1.6
71.50407	0.8
83.01254	1.7
85.02831	0.7
93.03323	0.8
95.01231	0.8
96.95860	1.0
107.01254	3.7
108.02074	3.0
109.02834	2.8
113.02338	0.6
119.05014	0.5
121.02853	2.8
123.00764	1.2
124.01546	0.9
125.02326	1.3
125.78246	0.4
134.03627	2.9
135.00787	1.4
135.02853	0.5
135.04372	1.2
136.01563	1.6
137.02342	1.1
138.03131	0.7
139.03909	1.0
148.01540	3.0
149.02373	0.7
149.05991	1.4
151.00262	13.1
151.03894	1.5
152.00818	0.9
152.09850	0.4
153.01869	0.7
153.05467	1.3
155.90945	0.5
158.03595	0.5
159.04381	1.0
161.02356	1.5
163.00275	3.7
163.03914	1.4
164.00974	1.0
165.01857	0.6
167.03351	0.7
168.00453	0.6
169.01340	2.0
171.04414	0.6
174.03209	0.4
175.03882	0.8
177.01843	0.6
178.99805	4.9
179.03502	0.7
181.05026	1.7
182.02110	0.8
183.02890	2.9
183.04369	1.1
187.03966	1.2
190.02606	0.5
190.99835	0.6
191.05511	0.6
192.00520	0.7
193.01376	0.7
193.44478	0.5
197.04477	2.0
199.03964	2.0
201.01822	0.8
203.03375	0.9
209.05984	0.5
211.03937	1.7
211.06038	2.1
213.01953	0.6
215.03430	1.4
216.04182	0.8
217.01396	0.6
222.03192	3.5
224.04744	0.6
225.05515	1.4
226.02663	2.0
227.03432	6.2
227.12846	0.9
235.04051	0.8
239.03337	0.8
240.04222	1.8
243.02940	14.4
244.03412	1.9
245.04427	1.2
250.02657	4.7
251.03178	1.2
252.04355	0.6
253.05023	2.1
254.02193	3.7
255.02956	34.1
256.03415	3.2
263.03177	0.7
268.03696	0.9
271.02463	75.0
272.02927	8.8
273.03922	0.8
278.02179	5.2
279.02759	3.1
281.04565	0.8
283.02454	1.3
285.04037	0.7
296.02954	0.5
297.04062	0.7
299.02020	5.1
300.02725	100.0
301.03433	39.2
302.03824	2.7
306.01825	1.1
307.02466	5.4
308.03030	1.2
314.04144	1.2
315.05048	4.0
323.01749	1.1
324.02722	31.6
325.03452	25.4
326.03793	2.3
327.07233	2.6
335.01715	0.7
343.04529	1.0
445.07526	0.7
451.10406	0.6
463.08807	13.1
464.09119	1.0
481.07678	0.7
487.08771	10.2
488.09048	1.8
488.15497	0.6
625.12140	2.3
643.12988	93.1
644.13385	16.4
644.23639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65172	0.3
59.01234	0.6
59.95734	0.3
61.98697	3.2
71.01244	0.5
98.19781	0.8
116.92731	0.4
148.24564	0.3
197.11761	1.2
209.11835	1.0
211.13391	1.9
211.98943	0.3
212.13704	0.8
229.27097	0.4
266.41907	0.4
309.05466	0.4
321.05545	0.7
337.05151	1.1
338.05811	0.8
350.05823	0.8
365.04395	1.4
366.05295	5.4
367.05792	0.5
377.04489	0.8
378.05313	0.9
379.06039	1.0
382.04749	1.5
383.05487	0.7
393.03885	3.7
394.04657	4.3
395.05377	0.9
398.04233	0.6
406.04825	1.2
407.05603	0.7
410.04272	1.1
411.05060	0.6
421.03564	4.4
422.04276	17.9
423.04758	3.3
426.04099	0.9
437.06680	10.5
438.06760	1.5
449.03003	11.1
450.03586	2.9
453.06314	0.8
454.03091	0.6
480.05222	0.8
481.05640	100.0
482.05957	14.3
487.34146	0.4
643.34662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82090	0.2
59.76210	0.2
61.98700	100.0
62.98396	0.3
71.06818	0.5
73.35113	0.2
78.95782	0.7
97.10038	0.2
102.32842	0.2
152.99480	0.5
164.39946	0.2
211.13434	0.3
455.99292	0.2
505.39450	0.3
508.04959	0.3
643.36102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.4
59.01234	1.0
61.98705	2.3
71.01249	0.5
71.06716	0.5
76.11231	0.3
91.43345	0.3
93.03346	0.3
101.02336	0.4
140.37018	0.3
161.02374	0.3
161.04535	0.3
163.07025	0.3
175.03893	0.3
196.97800	0.3
197.11728	0.7
209.11771	1.4
211.13322	1.5
212.13634	0.5
239.43091	0.3
309.05716	0.3
309.14661	0.3
310.06287	0.3
321.05573	0.8
337.04990	1.6
338.05908	0.3
349.05267	0.6
350.05859	2.2
353.04517	0.5
365.04572	3.9
366.05338	3.2
367.05960	0.4
377.04565	1.3
378.05255	0.9
379.05841	0.3
393.04007	5.6
394.04745	4.1
395.05508	0.6
405.04037	6.5
405.09378	0.5
406.04437	1.3
407.05386	0.4
421.03525	5.6
422.04266	19.0
423.04800	2.6
425.03012	1.2
437.06622	14.2
438.06995	1.3
449.03018	22.1
450.03320	2.9
453.06323	0.8
480.04852	0.5
481.05624	100.0
482.05939	12.9
491.03961	0.3
492.13455	0.3
588.08313	0.3
642.39319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44400	0.4
53.90986	0.5
54.20985	0.5
55.01752	1.2
57.03313	3.0
58.00485	0.6
58.22637	0.5
59.01249	99.3
60.01581	0.8
61.98701	4.6
62.24221	0.5
63.99675	0.5
70.37522	1.0
70.37890	1.1
71.01254	11.6
71.01626	0.9
73.02812	4.2
83.01256	1.2
83.04918	0.8
85.02822	5.5
87.00748	1.1
89.02308	3.2
95.01270	1.6
96.95840	0.5
99.00761	1.5
99.04411	1.6
101.02318	8.3
101.02934	0.7
104.35753	0.5
109.02858	0.8
113.02317	4.3
119.03394	1.4
123.08083	0.5
149.99586	1.0
159.02931	0.9
161.04442	1.7
163.11221	0.5
164.04590	0.6
165.12770	1.1
166.57434	0.6
178.02577	0.6
183.10225	0.9
189.12741	1.0
190.02702	1.4
191.03589	0.7
205.05045	1.4
207.13835	1.9
209.11739	7.4
209.15349	1.1
210.12198	0.9
225.14914	8.9
227.12839	34.8
228.13203	1.9
243.20123	0.5
257.04501	1.2
258.05249	0.6
269.13959	2.2
287.15005	1.1
352.06555	0.5
353.03796	0.5
353.08743	1.2
367.10248	0.7
371.20721	1.2
411.81958	0.5
413.21698	0.9
417.64435	0.5
547.51715	0.5
623.34448	8.4
624.34686	1.1
641.35394	100.0
642.35699	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	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
57.03315	3.7
59.01247	100.0
60.01591	0.8
61.34046	0.7
61.98699	42.4
69.21184	6.7
69.21589	2.0
70.59184	0.8
71.01249	17.4
72.99196	1.2
73.02815	4.9
75.00738	0.9
83.01222	2.6
83.04906	0.9
85.02824	6.5
87.00775	1.4
88.98659	1.0
89.02323	4.1
93.03313	3.4
95.01249	1.3
96.95872	1.5
99.00736	2.2
99.04377	2.5
101.02335	8.6
108.02067	0.9
109.02786	1.3
109.06516	1.2
113.02322	5.9
113.32832	0.9
119.03403	1.0
121.02862	1.0
121.06526	1.2
123.00777	0.8
123.04415	1.9
125.02328	2.8
133.02838	0.8
135.02905	0.9
135.04366	1.4
136.05159	1.7
137.02357	5.6
153.01765	1.3
153.40845	1.0
161.02364	2.7
161.04445	3.5
165.01907	1.5
167.10730	0.9
175.03943	2.3
177.01781	1.5
179.03383	1.5
179.10670	0.9
183.10191	10.2
189.12788	0.8
195.10222	2.8
197.11861	0.9
207.13852	2.2
209.11760	12.6
209.15401	1.1
210.12131	1.8
211.13138	0.9
225.14908	9.0
227.12828	39.5
269.13953	3.1
274.26016	1.0
287.14868	1.3
300.99765	1.4
345.04108	1.6
359.05405	2.0
371.20468	1.1
413.21478	1.2
415.23218	2.9
479.26996	0.9
479.33682	3.6
578.26923	1.3
623.34271	7.8
624.34821	2.4
641.35406	97.3
642.35773	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
59.01250	7.6
60.99165	1.1
61.98702	9.1
63.37909	0.6
65.00185	1.3
71.01212	3.2
71.31845	1.0
73.02824	1.0
76.38361	0.6
80.16438	0.6
80.96386	0.9
83.01228	1.0
85.02834	0.7
87.00749	1.7
88.98676	5.7
89.02320	2.6
92.04909	0.8
93.03337	1.4
96.95879	0.8
97.02824	1.6
99.46468	0.6
101.02331	1.9
107.01280	2.6
107.04879	2.3
108.02068	1.0
109.02817	3.1
113.02342	1.6
121.02839	12.7
122.03624	1.0
123.00773	1.6
123.04356	1.5
125.02330	10.0
133.02806	1.3
134.03625	1.2
135.02869	1.0
135.04411	10.4
136.05199	3.9
137.02313	2.4
139.03928	0.8
145.02773	1.0
149.02330	7.2
149.05975	1.0
149.99525	0.8
151.00307	1.6
151.03828	0.9
161.02341	3.0
163.00262	0.8
163.03943	0.9
164.04691	4.6
165.01837	25.7
165.09105	2.1
166.02274	0.9
167.03398	1.1
169.01349	8.7
170.01669	0.7
175.00278	0.9
175.03886	2.8
179.03424	3.8
181.00610	0.6
183.02943	1.1
183.10213	4.3
187.03976	1.0
189.01830	0.8
190.02617	1.7
191.03337	0.9
191.05556	0.9
193.01378	3.9
205.04968	1.3
209.08076	1.3
209.11787	2.5
215.03427	0.8
223.06047	4.8
226.02626	1.0
227.03450	2.1
228.04118	1.9
229.08641	2.3
241.05009	0.7
242.02177	1.1
243.02943	4.5
254.02213	2.5
255.02914	2.8
256.03528	0.8
259.06018	0.8
269.04416	2.5
271.02484	38.1
272.02893	4.7
273.07748	2.6
285.04056	1.9
285.07364	0.6
287.05557	2.0
297.04047	0.7
299.01959	59.5
300.02603	17.8
301.03030	1.5
313.03500	3.2
313.20200	0.8
314.04309	66.7
315.05075	83.8
316.05341	6.6
327.05133	2.0
347.05719	0.8
359.05582	1.1
360.28342	1.6
390.58435	0.8
417.08276	4.7
418.07941	0.9
435.12860	2.4
461.10873	100.0
462.11295	11.2
477.08322	14.4
478.08826	2.5
479.29874	3.2
495.09247	9.7
496.09744	1.9
517.11163	1.0
622.19507	0.7
640.35474	1.1
641.15155	19.1
641.36078	11.3
642.16089	2.8
642.35596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.4
59.01247	3.7
59.24542	0.5
67.01757	0.7
71.01246	2.6
71.50542	1.1
72.99167	0.6
75.00749	1.1
81.03329	0.9
83.01253	1.4
85.02824	12.0
87.00755	2.5
87.64980	0.6
89.02276	1.0
93.03334	5.3
96.95903	1.9
99.00755	1.0
101.02323	0.7
107.01279	0.6
108.02052	0.9
109.02832	4.0
109.39802	0.5
111.04353	1.5
113.02330	0.9
119.04875	1.4
120.99576	1.1
121.02846	0.9
123.04401	2.0
125.02334	30.5
126.02722	1.3
127.03908	2.5
129.01810	0.9
133.02843	0.7
135.02856	1.7
135.04420	6.5
137.02327	2.2
139.00305	0.7
144.45686	0.6
145.02831	1.7
147.04269	0.6
149.02328	1.2
150.03101	1.6
151.00275	1.3
151.03891	1.8
152.01080	1.0
153.01871	0.8
155.03410	1.0
161.02353	4.4
163.03841	0.7
164.00987	0.9
167.03436	1.9
169.01329	1.4
173.04485	2.6
175.03914	1.8
177.01865	3.0
179.03432	3.3
185.06146	0.6
187.03882	0.8
189.01813	0.7
191.05533	100.0
192.05884	4.1
199.49294	0.6
213.05478	1.3
227.03355	2.1
228.04178	1.7
243.02948	2.7
255.02951	9.8
256.03622	3.7
257.04443	1.9
269.04523	1.8
271.06091	4.5
283.02509	1.4
284.02887	0.8
285.04016	2.4
287.05542	1.2
287.71939	0.6
297.04034	5.7
297.07422	1.1
298.04605	1.0
301.00052	1.1
301.03516	3.8
313.06943	1.0
323.15128	0.6
327.04877	0.7
353.08609	2.8
407.07672	16.0
408.07935	1.6
423.10822	11.1
424.11279	1.2
439.10623	1.0
449.08835	5.3
450.09241	0.9
465.08090	1.0
467.09875	3.9
468.10040	0.9
477.06598	0.8
479.12216	2.7
543.23059	0.6
641.15094	8.6
641.25690	1.2
642.15570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01249	3.4
62.52461	0.5
63.02256	0.6
65.00184	2.2
69.30869	2.9
69.31293	1.5
71.01254	2.8
73.02804	0.5
74.98959	0.6
75.00738	0.9
83.01257	1.8
85.02808	1.3
87.00761	1.2
88.98701	0.5
91.01762	0.6
93.03341	6.0
96.00168	0.5
96.95926	0.8
99.00762	0.9
101.02319	0.9
101.80051	0.5
103.00208	0.6
107.01266	1.7
109.02831	5.5
111.00761	0.7
113.02331	0.9
115.00193	0.5
115.48280	0.5
119.04903	6.9
121.02821	4.4
123.00729	0.5
125.02333	4.5
133.02832	1.0
134.03523	0.6
135.00726	0.5
135.04407	2.2
136.99060	0.6
137.02324	1.6
137.17039	0.5
139.03865	1.1
143.04970	0.6
145.02808	1.3
149.02319	2.1
151.00269	9.2
157.06468	0.5
159.04420	1.1
161.02336	1.3
161.05952	0.5
163.00308	1.4
163.03894	0.6
164.00999	0.4
165.01810	1.1
169.01292	1.4
174.03130	0.6
175.00294	1.0
175.02406	1.3
175.03879	1.1
177.01845	3.7
178.99751	3.7
179.03423	0.8
185.05971	2.0
187.03905	2.2
189.01822	1.8
191.03729	0.6
191.05424	2.7
193.01344	0.7
201.05432	0.5
203.06953	0.6
205.01305	1.1
205.04922	0.5
211.03951	0.7
215.03566	0.6
217.01399	0.7
227.03537	1.0
227.07185	0.7
229.01385	0.6
229.05058	3.2
239.03549	0.7
242.02231	0.8
243.03101	1.1
245.04553	0.6
247.06122	0.7
253.04980	1.2
255.02888	2.1
255.05470	0.6
257.04419	0.8
267.02969	1.1
269.04578	1.2
271.02444	1.7
271.06104	3.5
273.04196	0.7
281.04391	1.0
283.02438	1.7
283.05801	0.6
285.04016	0.6
297.04089	1.1
297.11874	0.6
299.05643	1.3
300.02771	2.4
301.03510	41.3
302.03772	3.0
315.01312	0.5
327.05069	6.2
343.12152	0.7
349.07147	4.3
353.02902	1.1
360.06076	0.5
361.07138	1.2
377.01965	0.7
377.06686	9.1
406.06985	1.5
419.08014	0.7
421.09274	40.9
422.09625	4.4
447.07101	2.6
465.08228	100.0
466.08563	11.7
477.06754	3.1
641.11212	13.0
641.26373	1.0
642.11609	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	640.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
59.91256	0.1
61.98700	100.0
62.98400	0.1
71.00265	0.2
71.01249	0.3
71.13575	0.1
83.41159	0.1
85.02873	0.1
89.02271	0.1
93.03333	0.2
101.02326	0.3
113.02352	0.1
119.03358	0.1
122.03608	0.1
125.02340	0.2
130.06264	0.1
137.02379	0.2
149.02281	0.1
161.02379	0.2
173.04486	0.1
175.03970	0.1
177.65720	0.1
179.03500	0.2
182.04530	0.1
190.02679	0.3
205.05070	0.4
208.74969	0.1
271.06192	0.1
272.06427	0.2
279.10947	0.3
279.27252	0.1
297.11975	0.3
339.12985	0.2
359.27917	0.3
360.28494	0.2
479.29892	0.1
493.11139	0.1
522.22131	0.1
577.26678	0.7
611.20673	0.1
640.33899	0.3
641.35815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45114	0.2
61.98699	100.0
62.98425	0.2
65.01476	0.2
69.35715	0.9
69.36141	0.9
78.95779	0.8
86.63094	0.2
87.88535	0.2
88.45860	0.2
152.99472	0.3
211.13336	0.5
293.21222	0.4
641.34973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08153	0.3
57.03309	0.9
59.01249	2.0
61.98692	0.4
63.02257	1.1
64.27600	0.3
65.00191	2.7
67.01756	0.5
68.99682	0.4
69.35999	2.3
71.01257	3.1
72.99173	0.6
73.02809	0.4
75.00746	1.0
83.01250	2.3
85.02818	2.2
87.00728	1.1
89.02303	0.7
89.03798	0.4
91.01765	0.6
93.03342	2.2
95.01254	0.8
98.20546	0.6
99.00731	0.4
100.18710	0.3
101.02316	0.6
103.00230	0.6
107.01273	6.1
108.02104	0.4
109.02839	5.1
111.00754	0.6
113.02326	1.5
115.00252	0.3
117.03340	0.5
119.04916	11.1
120.05219	0.6
121.02844	8.2
123.00751	0.6
123.04391	0.5
125.02332	8.1
126.02791	0.4
133.02831	2.3
135.02882	0.6
135.04408	2.2
137.02328	0.9
139.03932	1.7
140.44397	0.3
143.04909	0.4
145.02858	1.7
145.40802	0.3
146.03477	0.4
147.00754	0.5
147.04358	0.5
147.92023	0.4
148.01556	0.4
149.02330	3.6
150.03082	0.6
151.00267	21.4
151.03862	1.0
152.00668	1.0
157.06485	1.0
157.72531	0.3
159.04390	1.4
161.02373	2.1
161.06009	2.0
162.02954	0.4
163.00258	2.4
163.03917	0.8
164.01045	0.8
165.01852	0.9
167.04955	0.4
169.01334	2.3
171.04471	0.4
173.02319	0.5
173.04477	0.8
173.05920	0.4
175.00227	0.9
175.02364	1.1
175.03938	0.7
177.01842	9.2
178.02266	0.7
178.99777	10.3
179.03387	1.1
183.04463	0.6
185.05928	2.0
187.03925	7.9
188.04297	0.5
189.01830	1.0
191.03633	0.3
191.05528	10.3
192.00470	0.5
193.01280	0.3
199.03900	0.7
201.05504	1.8
203.03291	0.5
203.07040	1.8
205.01376	2.4
211.03949	1.9
212.04713	0.3
213.01869	0.8
213.05544	0.4
215.03461	0.4
227.03502	2.0
227.07082	0.9
228.04137	1.4
229.05000	11.1
230.05389	0.7
231.02945	0.5
239.03447	0.7
240.04080	0.4
243.02841	0.6
244.03488	0.3
245.04550	1.0
247.06097	3.6
253.05028	0.4
255.02943	4.6
255.05708	0.3
255.06795	0.5
256.03635	1.5
257.04462	1.8
259.02423	0.5
269.04568	0.4
271.02472	1.2
271.06088	3.3
272.03284	0.3
273.04010	1.5
281.04510	0.6
283.02457	1.2
283.05780	0.3
297.04031	2.7
299.01788	0.8
299.05600	0.9
300.02682	1.5
301.03503	100.0
302.03839	8.4
315.05069	1.3
323.84036	0.3
327.05072	16.7
328.05536	1.4
343.04550	5.6
353.08701	0.6
405.05917	0.5
407.07516	1.6
419.13489	0.3
421.09219	3.3
422.09476	0.6
423.10770	2.2
449.08704	0.9
465.08209	14.9
466.08624	2.0
467.10159	0.4
477.06711	32.9
478.07028	3.7
479.13086	0.3
495.11301	0.3
503.08264	1.7
641.11115	6.7
642.11865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.27477	0.5
60.01583	1.1
60.99023	0.5
61.98696	8.7
63.09678	0.5
64.39887	0.5
71.01241	0.6
71.05956	1.1
71.06279	0.5
71.58154	0.5
78.95785	1.6
80.96384	1.0
83.04912	1.1
85.20840	0.5
88.27190	0.4
97.81638	0.5
112.73161	0.4
125.02320	0.6
129.59456	0.4
133.21747	0.5
152.99509	0.8
163.11208	0.8
193.50705	0.5
195.13860	3.5
209.11757	52.0
210.12109	3.2
227.12839	5.2
255.23366	1.1
277.21738	3.5
295.22760	40.4
296.23117	4.1
315.80295	0.5
346.75885	0.6
419.84378	0.5
461.32700	0.6
487.34503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
55.72234	0.8
57.03325	6.1
59.01247	94.6
60.01576	1.6
61.98699	77.2
64.58912	0.8
69.03322	1.6
71.00855	1.5
71.01249	26.9
71.23085	0.8
71.50407	1.1
71.50794	1.1
72.01545	1.0
72.12279	0.8
72.99174	2.2
73.02821	9.2
75.00703	1.0
78.95769	8.8
81.03322	1.2
82.08836	0.7
83.01252	3.2
83.04883	2.5
85.02820	9.7
87.00749	2.4
87.04399	1.1
88.98687	2.3
89.02311	9.4
93.03326	15.2
95.01266	2.9
95.04900	1.6
96.95884	1.5
96.96845	1.6
97.02824	2.9
97.06441	1.4
98.18661	0.8
99.00752	2.0
99.04389	5.7
101.02320	14.2
106.11523	0.8
107.04908	0.8
109.02784	2.0
109.06487	1.8
111.04386	2.1
113.02328	9.4
116.92683	1.0
117.05479	0.9
119.03393	3.7
119.04896	1.2
121.02807	1.2
121.06466	1.2
123.04418	2.6
125.02319	3.0
133.02855	2.1
134.03659	0.8
135.04419	7.1
135.06509	5.4
136.05199	1.0
136.99065	1.1
137.02351	18.6
138.06804	6.3
143.03409	1.4
149.02322	1.5
152.99486	4.0
153.09113	20.0
154.09470	1.6
159.02919	1.1
160.01534	1.0
161.02383	2.8
161.04463	4.9
161.13322	0.8
163.03914	1.3
163.11189	3.8
165.01840	2.6
165.12776	13.3
169.01363	1.1
171.10104	1.4
173.04477	3.0
175.00172	1.7
175.03949	3.4
177.01866	1.8
179.03401	7.8
187.11166	1.4
190.02623	2.8
191.03387	0.8
191.05571	2.5
195.06485	2.5
205.05016	2.9
207.10243	1.2
207.13840	11.2
208.05200	1.7
208.14288	1.4
209.11758	43.9
210.12114	6.3
211.13467	5.0
217.01268	1.0
222.03165	1.4
223.07755	1.7
225.11368	1.2
225.14920	16.9
226.15224	1.9
251.07043	2.8
251.12907	4.3
251.16508	1.1
255.02884	0.9
256.88474	0.8
267.06799	0.9
269.08142	4.6
269.13980	3.8
269.17584	1.8
279.10822	9.1
296.06976	1.0
297.11887	10.8
339.12881	6.9
357.26569	1.6
359.27744	0.9
361.10278	1.2
369.19144	2.8
387.20242	2.7
429.21210	1.6
433.24344	3.3
470.30945	1.1
477.32153	1.8
577.26733	1.3
621.32959	8.4
622.32861	1.7
624.12885	1.2
639.33789	100.0
640.34161	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	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40551	0.8
57.03321	4.5
58.00463	1.0
59.01249	69.4
60.99187	0.8
61.98703	23.5
71.01251	19.4
71.50909	1.1
72.99193	2.3
73.02813	5.6
75.00734	3.6
78.95789	1.9
80.02579	0.8
83.01257	3.0
83.04877	1.0
85.02812	6.7
87.00764	2.4
87.04395	0.9
88.98687	1.7
89.02312	11.7
93.03334	2.2
95.01278	2.0
95.04881	0.9
96.95883	1.1
97.06451	1.6
99.00776	1.1
99.04396	3.1
101.02322	11.1
108.02074	0.9
109.02842	2.2
109.06488	1.8
113.02327	7.0
116.92715	1.4
117.05459	0.8
119.03398	4.5
119.04912	2.8
121.02840	7.1
121.06480	2.4
123.00857	0.9
123.04434	1.9
125.02306	3.4
133.02863	1.2
135.04420	5.2
135.06544	2.5
137.02332	2.8
137.09602	1.2
143.03404	1.1
145.02806	1.2
149.02313	1.7
151.00282	2.0
161.02365	3.3
161.04462	2.8
161.05954	0.7
161.09615	1.2
161.13283	0.8
163.03934	3.1
163.11279	1.0
164.04704	1.6
165.01852	4.6
165.12799	2.7
166.02600	1.6
167.03421	1.0
169.01392	1.7
173.04462	3.6
175.03934	4.6
176.04256	1.3
177.01804	1.8
179.03468	2.9
179.05504	1.8
180.04181	1.7
181.04956	3.2
183.10135	1.6
185.11693	0.8
187.11227	0.7
189.01904	1.1
189.12770	3.1
190.02661	5.3
191.03246	1.1
191.05540	3.7
191.10663	1.5
195.06557	4.6
205.05042	4.5
207.13855	15.8
208.05339	0.8
208.14328	0.9
209.11761	12.2
223.06042	2.6
225.14891	2.6
227.12779	7.2
249.75075	0.8
251.07150	1.0
251.12936	3.4
251.16472	0.8
265.07294	0.9
267.07300	0.7
269.08203	2.7
269.13974	3.5
270.44543	0.8
271.02600	1.5
271.06210	1.1
279.10913	5.1
287.14993	8.5
293.17471	0.7
297.11813	6.3
298.12241	1.4
300.02707	2.2
301.00043	1.3
301.03561	3.5
301.62729	0.7
315.25461	2.3
324.02771	0.9
329.16183	1.1
339.13080	2.6
353.08902	0.9
357.26529	2.8
358.26785	2.7
359.27826	7.2
387.20074	0.8
389.18442	1.6
394.00861	0.7
449.20218	1.8
476.99887	0.8
477.32477	1.5
577.26965	1.1
603.28271	2.6
612.45215	0.8
621.32751	2.5
639.34052	100.0
640.34369	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	639.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
57.03331	0.9
59.01249	4.0
60.99175	14.0
61.98705	3.3
71.00755	0.9
71.01249	2.5
71.43073	0.3
72.99158	0.8
73.02806	1.1
74.98947	0.3
75.00743	0.6
79.22604	0.3
83.01254	0.8
85.02831	1.4
87.00763	0.9
88.98676	100.0
89.02320	1.4
89.99012	1.1
92.09001	0.3
93.03345	0.8
96.95879	0.9
99.00764	0.4
101.02316	1.6
109.02842	1.8
109.23011	0.3
111.00773	0.6
113.02319	1.3
119.03391	0.3
119.04935	0.5
121.02785	0.7
121.04989	0.5
123.04380	0.7
125.02362	1.8
133.02823	3.4
134.03613	0.5
135.04410	3.7
137.02335	1.3
139.03935	0.5
145.02821	0.6
147.04414	0.5
149.02371	0.8
149.05893	0.8
151.00247	0.6
151.03912	0.5
151.77718	0.3
161.02347	14.0
161.04491	0.9
162.02792	0.7
163.03918	0.8
164.04753	0.4
165.01846	0.5
165.05490	0.7
169.01352	0.5
171.10229	0.4
173.04517	0.7
175.02417	0.5
175.03935	1.5
177.01869	0.8
177.05481	1.3
179.03362	1.7
181.04974	0.5
181.08545	0.5
183.02983	0.3
190.02670	0.6
191.03407	0.9
191.05547	1.2
203.03445	0.4
205.04968	0.8
217.04956	0.5
221.04471	3.9
231.06705	0.4
243.02863	0.6
265.09262	1.0
271.02393	0.7
275.05490	0.7
279.22287	0.4
283.10309	2.5
295.02512	0.3
298.98502	0.4
299.01913	0.4
299.99023	0.9
300.02719	1.3
300.99817	1.4
301.03336	0.7
307.02448	0.4
315.05148	1.1
323.07806	0.5
324.02777	1.0
325.03400	1.3
336.50751	0.3
341.06625	0.3
373.25958	3.8
473.13092	0.5
487.08621	0.9
549.23395	11.4
550.23877	1.9
639.12036	1.9
639.25317	1.1
640.13812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1565
Annotation	Ranupenin 3-rutinoside
Peak:m/z	Relative Intensity
51.85975	1.2
57.03330	2.0
59.01243	10.4
61.15365	1.0
61.98706	11.9
65.00197	3.0
65.75790	1.2
68.85287	1.1
69.32078	7.8
69.32492	1.8
72.99228	1.3
73.02832	3.8
74.98960	1.2
85.02815	3.0
87.00764	2.6
88.98677	2.6
89.02312	5.7
91.01782	1.8
91.57738	1.1
93.03358	1.4
95.01295	1.6
97.02822	2.1
101.02302	5.4
101.24347	1.0
103.03920	1.2
108.02077	1.4
109.02851	5.0
109.99986	2.0
113.02365	2.2
116.92745	1.9
119.03430	1.6
119.04987	1.5
121.02856	3.1
121.04980	2.6
123.00761	3.0
123.04420	3.3
124.01573	1.9
125.02338	4.9
133.02861	1.7
135.04411	2.5
136.01576	4.8
137.02388	2.1
139.00273	2.2
139.03922	2.6
145.02875	3.1
147.00757	1.5
149.02353	6.5
149.99519	1.1
151.00299	3.5
151.03938	5.2
152.01093	2.6
153.01846	10.5
159.04417	2.2
161.02354	4.2
161.04480	2.7
163.00252	2.2
163.03900	1.6
164.01077	3.3
164.98235	4.4
165.01833	12.7
165.05557	1.2
165.98959	3.6
166.02397	2.2
167.03366	1.9
169.02960	1.4
171.10170	1.5
174.03067	2.2
175.00278	6.0
175.03926	3.4
176.01060	1.3
177.01852	1.4
177.99039	2.4
178.99751	13.2
179.03456	2.1
179.05571	1.6
180.00476	2.6
181.01349	1.5
187.03931	3.1
189.01897	4.6
190.02620	2.6
192.00681	1.6
193.01320	5.2
194.02074	1.4
195.02798	1.7
195.04475	1.6
197.02330	1.3
198.03247	2.4
199.03961	3.5
201.01883	1.2
203.03435	3.4
205.05017	4.1
207.02939	1.2
211.03960	1.1
213.01848	1.2
214.02554	2.2
215.03430	7.9
215.38632	1.3
219.02931	1.3
221.00873	2.1
222.01585	2.6
223.06076	2.2
225.01924	1.5
226.02724	5.3
227.03497	2.4
229.01495	1.5
231.03014	2.8
233.08209	1.7
240.04330	1.3
241.01369	2.1
241.04945	1.4
242.02156	6.4
243.02853	10.6
244.03699	2.2
245.00955	2.2
251.03378	1.9
254.02180	9.9
255.02888	3.4
257.04498	1.2
258.01532	2.2
259.02502	5.2
269.00928	1.4
269.04535	8.3
269.10318	1.2
270.01700	8.7
271.02441	24.0
271.83966	1.3
272.02936	3.0
273.03992	2.2
279.02985	2.1
283.10367	20.1
284.03256	1.8
285.04044	23.7
286.04547	2.7
287.01974	40.0
287.05301	2.1
288.02515	5.5
295.02365	1.8
298.01248	2.7
299.01993	5.1
300.02692	4.2
301.00085	1.5
301.03494	3.9
303.05048	1.9
313.03494	38.5
314.03949	7.9
315.01468	60.0
315.04706	3.9
316.02023	16.2
316.05399	1.2
323.02118	6.1
324.02756	4.0
325.03632	2.5
329.03278	1.4
330.03787	52.0
331.04529	33.5
332.04987	3.4
355.24875	1.5
373.06064	1.3
373.25931	41.7
374.26422	3.8
417.15594	2.5
477.10141	2.3
503.14737	2.6
639.15698	100.0
640.15997	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	639.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15128	0.3
59.01239	0.7
61.98719	0.5
63.02265	0.7
65.00191	1.5
66.70016	0.4
69.18755	0.7
69.19156	3.8
83.01266	0.6
85.85700	0.4
102.32840	0.4
107.01271	2.4
108.02060	1.9
109.02837	1.5
121.02855	1.9
124.01471	0.4
133.02844	0.7
134.03688	0.5
135.00772	0.8
135.04391	0.6
139.43091	0.4
147.00821	0.4
148.01550	1.7
151.00270	10.1
153.01659	0.5
159.04524	0.4
160.01578	1.5
161.02350	2.7
163.00330	2.4
164.01111	0.7
165.01830	0.5
169.01266	0.6
175.03957	1.5
178.99791	6.0
187.03889	0.7
189.05435	0.4
190.02585	0.5
190.99835	0.6
191.05565	0.6
192.00560	0.6
193.04971	0.5
199.03937	1.2
201.05548	0.5
203.03407	0.6
211.03961	0.9
215.03406	1.1
216.04268	0.5
216.20241	0.4
226.02678	1.9
227.03433	3.8
229.05031	0.7
242.02107	0.5
243.02971	12.1
244.03436	1.4
245.04555	1.1
254.02219	1.9
255.02957	29.9
256.03323	2.3
271.02469	60.3
272.02957	7.2
273.03979	0.8
283.02615	0.7
299.02078	3.3
300.02728	100.0
301.03445	37.2
302.03894	2.7
314.04297	0.9
315.04996	3.5
323.07663	2.4
343.04514	0.5
463.08810	50.3
464.09064	5.2
477.10620	3.0
639.13519	53.1
640.13934	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	639.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60236	0.6
67.71240	0.5
80.75201	0.7
84.71479	0.7
96.95858	0.8
97.02802	0.9
102.74482	0.6
109.02818	0.8
110.60475	0.6
121.02811	0.8
125.02332	1.8
135.04396	0.9
136.39418	0.6
145.02859	1.0
161.02267	0.8
163.03995	0.8
165.01874	3.1
169.01326	1.1
173.02423	0.6
175.03915	0.9
183.02809	0.6
183.04385	1.4
184.22833	0.8
193.01430	0.9
196.05112	1.0
197.05997	1.4
203.03558	0.7
209.05957	0.7
212.04744	1.1
215.03465	0.7
221.04659	1.1
222.03197	9.2
223.03996	1.4
224.04652	1.4
225.05515	4.3
226.02702	0.6
229.20888	0.7
235.03922	2.3
237.05646	1.2
239.03391	1.8
240.04234	2.8
241.05228	0.9
243.02969	1.5
250.02708	11.4
251.03288	2.5
252.04150	2.1
253.05057	4.7
259.02423	1.9
263.03528	1.5
267.02975	0.9
268.03857	1.3
271.02515	3.5
278.02176	18.1
279.02969	7.3
280.03607	2.2
281.04474	2.8
282.04907	0.7
285.04190	1.9
287.01962	13.3
288.02072	1.0
295.02490	2.2
296.03201	2.7
297.03867	1.0
299.01910	3.9
299.99194	1.4
300.02551	1.2
301.03351	1.0
306.01682	2.0
307.02460	16.7
308.02982	2.1
314.04333	1.9
315.01526	19.2
315.05057	3.5
316.01920	1.7
323.01926	1.6
324.02725	100.0
325.03461	71.4
326.03815	6.8
330.03793	22.9
330.07828	0.8
331.04404	5.1
335.01871	1.2
367.04590	1.1
477.10236	1.6
487.08795	61.4
488.09015	7.5
526.59497	0.7
639.08380	61.1
640.08966	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93784	0.5
55.01759	1.2
57.03320	4.9
59.00955	1.2
59.01248	25.1
61.22973	0.7
61.98702	1.5
64.23497	0.5
71.01247	10.5
71.04893	1.0
71.08089	1.5
72.99180	0.7
73.02821	2.6
81.03349	1.3
83.01273	0.9
83.04887	3.9
85.02821	4.8
87.00739	5.8
89.02327	3.6
92.69158	0.5
95.01284	1.1
95.04895	1.4
97.06454	2.4
99.00747	1.2
101.02325	6.1
107.04903	5.7
109.35213	0.6
113.02332	4.8
119.03350	1.5
120.05704	3.8
135.04442	1.7
135.08075	1.1
135.11700	0.7
138.06776	4.9
140.09897	0.7
145.06534	0.8
152.04689	1.1
153.09125	12.5
157.06520	1.0
159.08081	0.6
161.04425	2.1
161.09637	18.4
161.13269	5.2
162.09972	1.0
163.11205	4.8
165.12793	1.1
172.08742	0.8
179.10666	1.7
182.07747	0.6
187.09546	1.3
187.11208	18.3
188.11543	0.8
189.09132	10.7
190.09436	1.1
203.10733	1.0
205.12305	8.3
207.10208	4.1
207.13869	1.5
209.11778	55.6
210.12117	2.9
223.13245	0.6
225.14906	10.5
231.10231	1.4
249.11281	10.8
253.09245	2.3
267.12350	5.5
268.12646	0.6
269.13919	1.5
297.11615	1.0
340.14569	0.7
349.73709	0.7
387.19931	0.9
401.23203	1.2
493.24164	1.0
619.30853	1.0
637.32220	100.0
638.32581	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	637.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03321	5.5
58.00467	0.6
59.01249	28.7
61.98701	27.8
71.01252	14.5
71.04906	1.2
72.01606	0.5
72.99179	1.6
73.02822	3.6
73.64139	0.5
75.00747	1.6
79.05424	0.5
81.03339	0.7
83.01256	1.9
83.02383	0.6
83.04897	2.2
85.02827	6.4
86.29448	0.6
87.00745	5.4
88.98679	1.4
89.02314	7.7
93.03349	1.1
95.01276	1.0
95.04874	0.9
96.95874	0.9
97.02790	0.9
97.06478	2.9
98.19588	0.5
99.00767	1.5
99.04394	0.9
101.02328	10.0
105.06976	0.8
107.04910	6.8
108.02077	0.6
108.81735	0.5
109.06496	0.7
111.04392	0.9
113.02332	6.2
113.05962	0.9
113.96426	0.5
115.03909	0.6
116.92670	0.6
119.03365	3.6
119.04800	0.5
120.05683	4.2
123.08072	0.6
125.02359	3.2
131.04854	0.5
133.06531	0.6
134.22061	0.5
135.04417	3.3
135.06535	2.6
135.08057	0.8
137.02319	0.7
137.09666	0.8
138.06738	4.6
141.05435	1.2
143.03369	1.5
145.10161	0.8
152.04726	0.9
152.74602	0.5
153.09116	12.1
157.06448	0.6
159.08107	0.9
161.02380	0.8
161.04468	4.6
161.09633	19.1
161.13251	7.2
162.09998	0.9
163.03876	0.7
163.11206	2.9
169.10225	0.8
172.08984	0.7
173.04524	0.6
174.06767	0.6
175.00307	0.6
175.03915	1.5
179.05548	3.3
179.10716	1.6
185.11736	1.7
187.03856	0.5
187.11206	19.9
188.11476	1.7
189.09135	12.3
190.02618	1.5
190.09505	1.0
191.05495	0.9
195.06647	0.7
199.08733	0.5
203.10747	1.6
205.01303	1.5
205.05011	1.2
205.12273	8.3
207.10190	4.9
207.13783	1.5
209.11765	0.7
223.06029	0.6
225.03935	1.5
225.14894	11.4
226.15237	1.6
231.10147	0.6
249.11276	12.0
250.11563	1.1
251.12891	1.2
265.07043	0.6
267.12357	4.5
268.12662	1.1
297.11896	25.0
298.12183	1.9
309.24228	0.9
311.22327	1.5
327.25348	5.8
328.25604	0.6
338.74222	0.7
339.25388	2.5
356.25427	0.7
357.26431	75.3
358.26801	9.5
359.27841	0.5
367.06717	2.1
387.20401	1.1
500.96155	0.6
518.27588	0.6
519.31818	0.8
619.31134	0.8
637.32220	100.0
638.32642	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	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03323	4.3
58.00475	0.8
59.01250	30.4
61.98700	21.8
69.03316	0.7
69.18344	0.5
70.77512	0.4
71.00862	0.9
71.01253	16.3
71.04896	1.2
71.52168	0.6
72.99188	1.1
73.02827	3.6
75.00745	1.4
79.05401	0.8
79.32715	0.5
80.07720	0.5
81.03341	0.9
83.01269	1.4
83.02388	1.0
83.04902	2.7
85.02821	5.4
87.00750	6.2
88.98686	1.5
89.02314	9.7
93.03331	0.6
95.01289	1.6
95.04918	1.4
96.95885	0.9
97.02834	1.0
97.06442	3.0
99.00751	1.2
99.04414	0.6
99.84216	0.4
101.02316	9.7
104.29694	0.4
105.06975	0.8
107.04916	7.4
109.06503	1.2
111.04413	0.7
111.83580	0.5
113.02318	5.6
113.05988	0.9
116.92807	0.6
119.03386	4.2
119.04869	0.8
120.05707	3.3
121.02804	0.6
125.02361	2.1
130.81441	0.5
133.06442	0.6
133.10143	0.7
135.04398	3.8
135.06529	3.9
135.08116	0.6
137.02383	0.8
137.09554	0.7
138.06789	3.7
139.11223	1.0
141.05478	1.0
141.12688	0.6
143.03392	1.0
145.10129	0.7
146.07204	0.5
147.04343	0.6
147.07980	0.6
147.31331	0.6
149.05991	0.7
149.09602	0.6
151.07541	0.5
152.04681	1.7
153.09117	12.4
154.09402	0.5
157.06519	0.6
159.08089	1.0
159.11716	0.5
160.01566	0.6
161.02386	1.1
161.04437	4.2
161.09630	16.9
161.13280	8.4
162.09999	1.3
163.03925	1.0
163.11223	3.2
165.01778	1.0
165.12636	0.7
169.10161	0.5
169.12300	0.5
175.03941	1.5
177.01842	0.5
179.03415	0.9
179.05521	2.6
179.06953	1.1
179.10736	1.8
185.11748	1.9
187.11206	18.4
188.11565	1.1
189.09126	12.6
190.02623	0.9
190.09451	0.8
191.03331	0.6
191.05554	1.2
199.13464	0.7
203.10696	1.2
205.01395	1.0
205.04967	1.6
205.12263	8.3
206.12578	0.8
207.10234	5.1
207.13818	1.6
209.11717	1.4
223.06058	1.0
225.04021	1.4
225.14900	11.7
231.10228	0.9
249.11295	12.3
250.11696	1.0
251.12880	1.3
267.12329	3.1
297.11893	30.1
297.24280	0.8
298.12250	1.7
300.99905	0.7
309.24301	1.1
311.22287	1.3
312.06152	0.6
327.25394	6.6
328.25583	0.5
339.25339	3.2
355.24954	0.7
356.25174	0.6
357.26437	84.0
358.26767	7.9
359.27988	1.4
367.06674	2.0
387.20322	1.3
431.18973	0.5
493.24973	0.5
619.31232	1.6
637.32257	100.0
638.32666	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	637.1765
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
57.03312	0.8
59.01246	5.4
61.98703	11.4
63.02255	0.3
65.00198	0.7
69.04911	0.4
71.01260	2.2
71.42625	0.5
71.50777	0.6
72.99170	0.9
73.02812	0.9
75.00726	1.4
83.01228	0.4
83.04882	0.5
85.02809	1.1
87.00758	1.1
88.98683	0.7
89.02316	1.1
93.03318	1.1
96.95891	0.5
97.02824	0.7
101.02303	1.5
107.04877	1.1
109.02793	1.0
109.99998	0.7
113.02314	1.5
116.92719	0.6
119.03389	0.5
119.04874	0.9
120.99557	0.5
121.02832	0.8
123.00716	0.7
123.04391	1.4
125.02316	1.3
133.02861	0.5
134.03615	2.9
135.04410	3.3
136.98978	1.3
137.02364	0.6
141.37935	0.5
145.02818	0.6
147.00789	0.7
147.04442	0.5
148.01544	1.2
148.51532	0.4
149.02339	1.2
149.03799	0.4
149.05956	0.6
150.03131	0.8
151.00241	0.8
153.09087	0.4
159.04253	0.4
161.02341	1.1
161.04488	0.5
162.03079	0.4
163.03914	4.8
164.04691	1.0
165.01817	2.7
169.01332	0.7
171.04343	0.4
173.04468	0.7
174.03096	0.7
175.00356	0.9
175.03909	1.5
176.01102	0.5
177.01810	2.4
178.02274	0.4
179.03427	1.4
179.07047	0.6
180.04062	0.6
182.03690	0.5
187.03888	0.4
189.01877	1.1
190.02591	2.9
191.03471	1.1
191.05518	2.1
193.01350	0.5
195.06604	1.0
198.03178	1.0
199.03899	0.6
201.01855	0.4
205.05013	3.1
207.02895	6.0
208.03185	0.6
209.04448	0.5
209.11752	1.1
210.84407	0.4
213.05443	0.6
214.02647	1.3
215.03314	0.9
216.57629	0.4
223.06036	1.3
225.07651	1.3
226.02592	2.4
227.03380	1.6
241.04999	1.1
242.02148	7.7
243.02917	6.9
245.00816	1.2
254.02246	3.6
255.02864	0.6
257.04541	5.6
258.05246	1.0
265.07166	0.7
269.04471	4.3
270.01669	7.9
270.04657	0.7
271.02444	17.2
272.02863	1.1
281.12466	1.2
283.10138	0.7
285.04044	9.8
286.04669	3.1
297.12140	0.5
298.01202	2.5
298.04288	0.4
299.01941	23.7
300.02432	2.2
300.05774	0.5
301.03271	0.7
301.07117	0.7
313.03525	38.1
314.04260	36.1
315.04739	2.7
324.05911	0.7
325.03165	0.5
328.02686	0.3
328.05835	17.4
329.06641	100.0
330.06967	8.5
342.06970	0.7
343.07208	0.5
353.08701	0.8
371.08087	0.5
371.24658	0.6
373.25854	1.9
451.09949	0.6
452.10880	0.9
453.10944	1.1
457.05420	1.3
577.22711	4.9
637.17719	50.9
637.28015	3.3
637.34113	1.9
638.18042	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	635.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83490	0.4
59.01247	0.7
61.98691	0.8
63.95721	0.4
70.98064	0.9
78.95745	0.7
93.03323	0.5
97.37767	0.4
98.21613	0.4
101.95438	0.4
108.01990	0.6
112.00581	0.3
117.03336	6.7
119.04914	19.5
120.05203	0.9
121.02840	60.3
122.03135	2.3
123.04378	0.9
133.02789	0.7
135.04414	0.5
145.02849	36.0
146.03178	2.6
150.41595	0.4
163.03944	3.3
164.04170	0.6
165.04460	0.4
346.72125	0.4
453.33737	9.2
454.34064	1.6
471.34714	2.8
472.35321	0.6
497.32730	13.2
498.33002	2.1
513.35889	3.1
573.38965	0.4
617.38440	86.0
618.38782	21.7
618.46918	0.3
635.39465	100.0
636.39813	23.4
636.50598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.9
60.01554	0.6
61.98701	100.0
62.35698	0.6
68.25140	0.6
71.01244	0.8
78.95783	9.5
80.96401	0.6
85.91655	0.6
92.74408	0.6
96.96899	0.7
97.97023	0.6
124.41225	0.6
152.99495	4.6
175.59874	0.7
201.11209	1.5
204.10826	0.8
209.11893	0.6
255.23218	5.8
265.59952	0.7
282.40796	0.6
356.39420	0.7
391.22571	0.9
434.04089	0.7
437.19714	0.8
456.35773	2.2
619.36481	2.4
637.37067	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
71.49767	1.0
73.30399	0.4
75.00748	0.9
83.20339	0.4
93.03354	0.7
102.79061	0.5
103.23763	0.4
117.03342	13.7
119.04910	21.0
120.05264	0.9
121.02840	64.5
122.03172	2.2
123.04405	0.6
133.02800	0.7
133.06175	0.4
135.04419	2.0
145.02852	64.3
146.03200	3.1
157.51350	0.4
162.03116	0.6
163.03900	4.6
172.44151	0.5
181.04988	2.7
191.95639	0.4
196.81804	0.5
453.33707	7.2
454.34097	1.2
469.33029	0.9
471.34650	2.5
472.35248	0.6
497.32745	16.4
498.32990	2.3
513.36499	0.7
617.38440	100.0
618.38782	24.0
620.61072	0.5
635.39453	22.0
636.39758	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	635.395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86751	0.4
59.01239	0.9
61.98692	0.8
69.78904	2.7
71.73685	0.4
77.24365	0.4
117.03351	13.6
119.04912	28.1
120.05257	1.2
121.02839	63.9
122.03162	2.4
123.04391	0.5
135.04442	1.3
145.02850	60.5
146.03201	3.1
162.03186	0.6
163.03912	4.7
173.89415	0.5
181.05008	1.5
375.74200	0.4
391.29956	0.6
407.32620	0.5
453.33670	5.1
454.34305	0.5
458.34985	0.6
471.34644	2.5
497.32715	17.2
498.32901	2.8
540.11139	0.5
573.39252	1.3
617.38440	100.0
618.38757	20.9
635.39484	24.1
636.39862	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	635.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17528	1.4
59.01258	11.6
61.98700	26.7
69.19950	17.0
71.01259	12.8
73.02803	6.7
78.09331	1.4
83.01254	1.9
85.02806	6.3
87.00775	1.6
88.98637	1.6
89.02333	3.0
95.01228	2.0
96.16563	1.6
101.02302	5.9
108.02001	1.7
109.02795	2.3
113.02287	4.5
125.02322	2.5
131.03337	5.0
131.06999	2.5
152.01047	2.9
159.72437	1.6
161.04413	6.3
169.01231	2.5
187.03876	1.8
191.05353	2.2
206.23541	1.3
213.11044	1.4
215.63103	1.4
252.08896	1.5
355.24875	2.0
443.29813	2.8
467.30295	9.3
468.30219	2.0
531.11224	1.8
575.33862	2.4
599.34265	16.8
600.34503	2.5
635.31750	100.0
636.32019	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	635.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.5
59.01245	1.6
61.98701	3.4
65.21428	0.6
71.01230	0.6
71.49791	0.6
71.50205	0.9
72.99168	0.6
75.00748	5.1
76.48289	0.7
78.95763	1.0
81.36176	0.6
107.04890	1.9
117.03341	2.0
118.03689	0.8
119.04914	8.0
121.02831	3.9
125.02325	0.8
133.02823	1.9
133.69197	0.6
134.03654	0.8
135.04416	19.3
136.04730	0.9
145.02859	9.0
146.03181	1.8
152.51274	0.6
161.02319	0.9
163.02698	0.8
163.03940	10.0
164.04294	0.6
181.04977	19.9
202.93082	0.5
303.79126	0.7
391.30188	1.0
407.33487	1.3
439.32141	1.5
453.33771	18.9
454.33792	3.2
469.32971	3.8
470.33786	1.0
471.34775	11.8
472.35464	2.6
473.35620	1.6
485.07089	0.5
489.99149	0.5
517.95374	0.7
573.39276	5.3
574.39832	1.2
586.90186	0.6
591.40601	1.6
617.38232	4.0
635.39435	100.0
636.39825	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	635.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57467	0.5
70.47282	0.5
71.01252	0.6
78.95775	18.8
95.73866	0.5
96.96842	1.5
105.50337	0.4
120.79740	0.5
138.40221	0.4
152.99493	11.3
163.11136	0.5
201.11253	1.3
225.11314	1.2
255.23264	16.3
256.23642	1.5
361.10587	0.6
379.11627	1.8
391.22491	4.5
401.17908	0.6
409.23657	2.6
415.15891	0.8
417.17633	0.6
419.18942	1.6
430.14297	2.1
431.13992	1.1
431.19644	3.8
432.19336	1.2
433.20328	0.9
443.14896	0.6
444.15524	0.9
445.16122	2.3
446.17010	1.0
457.21054	0.8
458.17444	3.5
459.13995	1.0
459.19366	1.0
469.17105	0.5
472.18906	1.0
473.15625	1.9
473.21112	2.7
474.16568	6.0
475.17133	3.0
476.18643	0.6
485.19141	0.5
486.20309	0.7
487.18027	1.9
488.18604	6.6
489.19156	4.5
490.20163	7.7
491.21188	1.1
501.19394	2.1
505.22577	4.4
506.22577	1.3
515.17151	0.8
516.18036	1.6
529.18823	1.3
531.21124	0.7
548.20355	0.9
549.21509	2.6
559.23535	1.4
560.20972	1.6
561.21692	0.9
575.22968	14.1
576.23523	8.2
577.23956	0.7
592.23785	0.6
603.22858	2.4
604.22925	0.7
617.34515	1.8
635.25195	100.0
635.35461	9.6
636.25415	22.2
636.34210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92690	1.5
51.08505	1.4
52.12486	1.6
59.01012	1.4
59.01253	20.0
61.98693	20.6
70.15816	3.4
70.16206	3.5
71.01253	8.5
73.02802	1.5
78.95784	4.4
84.08252	1.9
85.02797	3.7
89.02311	5.0
93.03289	1.9
99.00758	2.0
101.02307	5.3
108.02016	2.2
109.02842	3.3
119.03357	2.1
123.04397	7.9
125.02310	4.0
135.04405	2.3
137.02327	2.9
149.74821	1.5
152.01100	1.7
153.05489	10.2
169.01414	2.3
173.04410	2.5
175.03912	3.7
209.11757	3.2
251.16512	3.1
277.05453	1.8
285.15189	1.8
341.26675	2.1
345.03629	2.0
443.30347	3.8
473.12408	5.6
473.35541	3.3
623.62445	2.0
635.31848	100.0
636.32056	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	635.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24741	0.9
59.01250	100.0
71.01253	1.3
71.49108	0.8
78.95777	32.8
83.19329	0.9
84.07150	1.1
89.02379	1.3
96.96824	2.1
98.71156	0.8
100.34043	0.9
101.68541	0.8
103.96318	1.0
109.06549	1.2
113.02299	0.9
152.99483	22.6
168.49956	0.9
171.10263	2.2
201.11137	1.4
223.13345	6.1
225.11287	3.3
255.23270	29.4
256.23700	1.9
295.22821	3.1
379.11691	2.8
391.22638	6.2
409.23752	3.2
419.18939	1.7
431.14114	1.6
431.18906	3.6
433.21021	1.1
445.16870	2.8
446.21951	1.3
455.35400	3.9
458.17520	2.3
473.15778	2.7
474.16840	9.8
475.17728	3.6
487.17715	2.0
488.18378	7.7
489.19281	7.6
490.20215	6.8
501.19452	2.9
502.19846	1.2
505.22632	3.7
516.18097	2.7
529.18982	1.7
548.20331	5.1
549.20984	2.0
560.20380	1.6
561.20654	1.1
575.22961	16.2
576.23535	9.5
577.24225	1.3
603.22656	3.8
617.34717	2.9
635.25275	83.8
635.35773	13.6
636.25513	20.0
636.35376	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	635.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27397	0.8
54.73126	1.0
57.03294	1.1
59.01246	14.2
59.63528	0.9
61.98705	7.6
65.58394	1.0
66.77579	0.9
69.34066	8.5
71.01252	6.3
71.04887	1.2
72.99172	1.1
73.02812	2.2
74.98992	1.5
75.00754	1.5
81.03352	1.1
83.01270	1.2
83.02382	4.4
85.02834	1.1
87.00751	1.7
88.98656	1.0
89.02309	3.2
89.03844	1.7
93.03336	0.9
95.04896	1.0
96.95918	4.9
101.02325	3.5
103.35704	0.9
107.04910	1.0
108.02046	1.2
109.02077	1.6
109.02834	28.1
109.59772	0.9
110.25689	0.8
111.00798	1.2
113.02310	1.5
116.92732	1.0
117.03313	1.4
119.03367	1.9
119.04905	1.3
121.02845	1.7
123.04411	11.0
125.02348	3.6
133.02844	10.0
135.00710	1.1
135.04370	2.7
137.02377	1.5
145.02859	12.7
147.04449	2.2
147.09694	1.0
149.02295	1.3
150.03090	1.8
151.03902	7.1
161.02394	6.7
161.04501	1.3
161.05930	1.2
163.00427	1.1
163.03893	2.1
174.03133	1.6
175.03944	5.4
176.01036	1.3
177.01852	86.7
178.02176	2.6
179.05388	0.9
187.03932	3.3
187.11319	1.7
189.01868	39.7
190.02594	9.7
191.03394	8.0
191.05644	1.3
201.01820	5.3
201.11397	1.0
202.09395	1.1
203.03345	4.8
203.10857	0.9
205.04968	1.5
216.00648	6.9
217.01378	31.2
218.01915	2.8
219.02907	11.2
223.13324	2.1
227.03432	1.4
227.12840	1.9
231.02914	9.1
232.03302	1.4
251.16444	2.0
255.02948	5.1
267.12430	2.0
269.04553	1.3
271.06207	1.9
277.04910	1.2
279.03073	0.9
279.06549	2.5
281.04434	2.7
287.05643	1.5
289.07272	1.8
297.03931	4.0
297.07080	1.2
297.11755	1.9
299.05545	1.9
300.99796	0.9
308.03250	1.3
323.05597	52.5
324.06039	4.4
329.23300	1.1
341.06644	70.2
342.06958	7.5
355.24905	2.7
369.15390	2.1
373.26053	1.6
375.14413	2.4
429.17633	2.6
433.09244	20.9
434.09476	3.8
451.10330	100.0
452.10675	14.3
635.21228	3.8
635.32483	9.9
636.31677	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	635.0885
Annotation	Gallotannin
Peak:m/z	Relative Intensity
50.21908	1.0
54.08599	1.0
57.90380	0.9
58.15050	1.1
59.01256	2.1
67.01756	1.1
71.01233	3.2
71.50071	1.5
72.99168	2.1
73.02785	1.0
73.65311	1.2
75.00728	1.5
78.13351	1.2
81.03341	1.6
81.69298	1.1
85.02831	1.6
85.18631	1.1
87.00723	1.2
89.02290	1.2
95.01280	2.5
96.95870	2.2
97.02829	2.7
101.02320	2.1
107.01282	7.6
109.02821	1.3
111.00745	3.2
113.02291	0.9
119.04881	1.4
120.89307	1.1
121.02827	1.3
123.00735	8.6
123.31850	1.2
124.01573	2.6
125.02330	69.9
127.00203	1.0
135.02895	2.9
135.04367	1.3
136.98805	1.1
137.02322	4.0
139.00232	3.6
140.01018	4.1
145.02869	1.3
149.02301	1.2
150.03085	1.5
151.00250	4.3
153.01854	1.2
163.03915	2.7
164.07108	1.7
165.01833	3.6
165.05443	3.9
166.99780	3.0
167.03429	1.6
168.00571	7.8
169.01338	100.0
170.01704	2.8
173.04509	1.7
177.01775	1.6
178.99698	1.3
179.03456	3.0
179.05417	1.1
180.04152	1.4
181.01320	1.5
191.03342	2.1
193.01375	11.8
194.01631	1.1
195.06534	3.5
196.01677	1.2
206.08165	2.0
207.02910	1.9
211.02412	22.8
212.02621	1.6
221.04468	3.2
223.02364	1.5
235.02361	2.7
241.03557	2.4
253.03340	1.3
267.05173	1.1
271.04636	14.5
275.02057	2.0
292.07407	1.6
295.04645	3.1
300.99823	3.0
313.05688	16.8
314.06009	1.0
319.03091	1.2
331.06451	1.7
423.05652	11.6
465.06638	8.2
466.07465	1.1
483.07724	13.7
635.08838	83.1
636.09088	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	635.0887
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.18479	0.4
59.01252	1.4
60.37020	0.4
67.01772	0.9
68.99680	0.7
69.03316	0.9
71.01257	6.6
71.36494	0.8
72.99178	0.9
75.00753	0.7
79.01765	0.6
79.17711	0.4
81.03334	0.9
83.01231	0.8
85.02815	2.1
85.51011	0.4
87.00739	0.6
93.03324	1.0
95.01257	2.6
96.95880	0.6
97.02840	1.5
101.02319	1.9
107.01266	9.5
109.02825	1.0
111.00745	2.0
113.02338	2.1
119.04922	0.6
121.02883	0.7
122.99915	1.0
123.00762	10.2
123.04424	0.5
124.01624	0.9
125.02330	66.2
126.02673	2.4
127.00266	0.7
127.98756	0.4
136.98752	0.5
137.02328	1.6
139.00238	3.6
139.03876	0.7
140.01048	3.5
140.67818	0.5
141.01826	0.7
149.02370	1.3
150.03094	0.6
151.00282	6.3
151.03943	1.0
152.00764	0.7
153.01860	1.0
161.02330	1.1
163.03964	1.0
165.01816	0.9
166.02547	0.6
166.99754	2.4
167.03375	1.3
168.00558	5.7
169.01329	85.1
170.01665	3.2
173.04427	0.7
175.03891	0.6
179.03433	1.5
181.01367	1.2
190.02740	0.7
191.03371	0.9
193.01314	5.2
205.01353	0.8
211.02388	7.9
223.02461	2.4
231.02954	0.5
235.02390	1.0
237.04044	0.6
241.03584	1.1
253.03345	0.7
271.04642	1.3
275.01868	0.5
295.04642	2.5
297.06253	3.4
300.99850	1.3
313.05618	28.5
314.05917	2.0
429.12479	0.6
465.06711	100.0
466.07114	12.5
467.07672	0.5
483.07745	2.1
538.67920	0.5
635.08728	5.2
635.17969	0.6
636.09418	0.9
641.08899	0.6
651.44922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92528	0.6
55.01762	0.7
59.01262	1.0
67.01773	0.7
69.03324	3.1
69.49476	1.6
69.49882	4.4
71.01254	3.1
72.99188	0.8
75.00742	0.7
81.03357	1.1
83.01251	0.7
85.02834	1.0
87.00770	1.0
95.01265	1.4
96.95898	1.7
97.02834	2.5
101.02333	2.5
103.86407	0.7
107.01264	8.7
109.02820	1.3
111.00774	2.3
113.02331	1.9
118.21939	0.7
119.04889	0.8
119.11449	0.7
119.98358	0.7
123.00762	6.9
124.01543	2.7
125.02330	84.2
126.02673	3.1
127.00327	0.9
134.03630	0.7
135.02893	1.3
135.04437	1.1
137.02336	2.0
139.00250	2.1
139.03922	0.7
140.01042	2.7
143.03400	2.5
149.02339	0.9
150.03177	1.4
151.00266	4.5
161.02307	1.3
163.03949	1.1
165.01854	2.9
165.05482	2.6
166.99774	1.5
167.03308	0.7
168.00543	5.3
169.01329	100.0
170.01707	4.1
175.03827	0.9
178.99770	1.3
179.03462	1.1
181.01305	1.1
193.01324	3.1
193.04985	1.0
195.06570	1.8
207.02960	0.8
211.02409	7.8
214.02664	1.0
215.03346	0.8
241.03424	1.4
242.02075	1.1
243.02908	0.7
253.03445	0.9
258.77505	0.8
270.01611	1.4
271.02118	6.8
271.05017	5.2
275.01715	0.9
287.01883	3.0
295.04468	2.2
300.99887	1.8
313.05612	20.2
314.05847	1.5
316.02209	12.4
317.02792	2.8
405.04376	1.2
423.05399	2.0
465.06702	29.3
466.07007	3.5
479.08383	4.8
483.07846	11.0
484.07938	1.7
545.17749	0.9
617.11157	2.6
635.08734	77.2
636.09027	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	633.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
61.98703	1.4
64.25802	0.3
65.16306	0.4
65.55649	0.4
67.39803	0.3
67.86794	0.3
71.16598	0.9
72.13033	0.3
78.95776	1.3
84.98703	0.4
87.95522	0.4
93.95675	0.3
97.01153	0.3
117.03351	12.3
118.03764	0.4
119.04918	3.9
121.02831	2.4
121.25868	0.4
125.70387	0.3
132.02051	1.3
133.02847	20.1
134.03717	1.8
135.04428	8.9
136.04745	0.6
137.02347	2.1
139.03902	0.5
141.80545	0.4
145.02864	5.9
152.99471	0.6
161.02350	62.4
162.02625	2.8
163.03903	3.3
178.02594	0.7
179.03427	1.3
181.04991	0.6
293.21072	0.6
341.42709	0.4
373.90094	0.4
418.40344	0.4
453.33688	0.9
471.34607	1.1
497.33069	0.8
571.38049	1.5
589.38892	0.6
615.36865	3.3
616.37170	0.8
633.37939	100.0
634.38312	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	633.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09254	0.2
55.35168	0.2
61.98708	0.6
77.36023	0.2
78.95729	0.2
79.96593	0.2
80.54475	0.2
82.47891	0.2
89.03831	0.2
91.01244	0.2
102.69450	0.2
106.35971	0.2
117.03345	24.0
118.03692	0.9
119.04907	3.8
121.02855	0.4
123.04424	0.2
137.77185	0.2
145.02849	100.0
146.03177	4.5
163.03906	2.6
409.26917	0.2
425.30716	0.3
439.32156	0.3
455.31390	0.6
467.31467	0.6
469.33179	0.6
471.34747	6.6
472.35229	1.4
487.33792	0.3
505.34952	0.2
513.32037	0.4
633.37897	71.5
634.38251	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68492	0.3
56.96020	0.3
59.01250	100.0
60.01582	0.9
78.95784	1.2
82.29392	0.3
147.48842	0.3
152.99565	1.1
176.39027	0.4
176.56676	0.3
195.13879	0.3
205.12582	0.3
223.13344	7.0
223.15382	0.5
224.13770	0.6
250.73514	0.3
293.21219	4.2
309.36264	0.3
330.46625	0.4
633.38684	0.9
634.38489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.4
69.03319	3.1
71.01234	5.6
71.45911	2.0
71.46290	1.7
75.00718	7.6
83.01244	1.6
83.04909	1.4
85.02804	4.3
87.00740	2.3
89.02308	1.5
90.02065	1.4
93.03312	6.2
95.01264	3.2
97.02815	2.8
99.00657	1.5
105.04627	1.4
107.01278	7.7
108.01997	1.5
109.02801	4.5
111.00768	1.8
113.02313	2.6
123.00751	6.5
125.02331	88.1
126.02606	2.8
135.02887	21.5
135.03922	1.9
135.04404	4.1
137.02327	2.6
139.00261	2.1
151.00203	3.1
151.03789	2.0
151.97600	1.5
153.01787	2.1
165.01744	1.7
168.00488	7.2
169.01335	100.0
170.01657	3.5
173.04420	6.3
179.03319	1.9
191.05524	37.5
192.05818	1.7
193.01247	6.1
211.02374	16.6
226.06233	6.7
227.07054	15.9
241.03430	3.2
251.77696	1.6
255.10327	9.4
271.04541	5.7
295.04510	3.4
299.98962	1.5
300.99759	5.8
313.05640	12.5
326.81815	1.7
343.08084	4.3
360.91159	1.6
423.05499	5.5
461.10098	2.1
465.00916	2.0
465.06805	19.5
466.07281	2.2
483.07950	11.7
517.13501	3.4
568.91113	1.7
635.08618	72.7
635.17322	5.5
636.09064	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	633.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	0.4
64.62269	0.3
83.20786	0.3
86.73365	0.3
105.03345	0.4
112.80679	0.3
117.03331	1.5
132.02066	1.3
133.02856	24.9
134.03696	2.6
135.04424	8.7
136.04781	0.5
137.02306	2.1
139.03891	0.7
145.02859	0.8
161.02354	83.2
162.02702	4.1
171.10255	0.4
178.02638	0.8
179.03426	2.6
433.27567	0.3
491.87799	0.3
497.32489	0.8
526.05847	0.4
633.37891	100.0
634.38269	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	633.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.4
62.64989	0.1
69.82222	0.2
70.52419	0.2
70.52766	0.5
88.26276	0.2
109.02847	0.3
117.03347	23.8
118.03686	0.9
119.04911	3.6
121.02831	0.4
123.04453	0.2
145.02852	100.0
146.03194	4.3
163.03935	3.0
169.01685	0.2
230.00027	0.2
314.13406	0.2
357.51514	0.2
400.49866	0.2
409.27319	0.2
425.30521	0.4
439.31973	0.2
446.53922	0.2
455.31741	0.6
467.31665	0.7
469.33197	0.6
513.32196	0.5
523.13690	0.3
633.37909	74.1
634.38263	17.1
643.72632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01317	0.4
56.02205	0.3
61.98678	0.4
62.07697	0.3
69.22881	1.9
69.23304	1.6
82.35489	0.3
108.79631	0.3
117.03325	1.8
119.04930	1.0
121.02879	0.6
132.02042	1.3
133.02846	22.3
134.03702	2.5
135.04417	7.6
136.04715	0.4
137.02332	2.0
138.63567	0.3
139.03940	0.4
145.02859	3.4
161.02347	70.5
162.02679	3.5
168.73367	0.4
177.69194	0.3
178.02629	1.3
179.03403	1.8
356.23260	0.4
453.33875	0.7
471.34711	0.8
497.32617	0.9
633.37909	100.0
634.38281	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	633.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.4
61.98717	1.1
66.31010	0.2
67.24916	0.2
68.67630	0.2
70.06465	0.9
71.01256	0.3
71.33405	0.2
78.95791	0.4
79.83662	0.2
87.00748	0.4
111.62013	0.3
116.92747	1.0
117.03345	25.5
118.03654	0.7
119.04898	4.9
121.02842	0.4
125.09588	0.3
145.02849	100.0
146.03181	4.2
161.02318	0.3
163.03897	0.8
171.10191	0.6
201.11209	0.3
300.99954	0.6
421.31049	0.9
427.19910	0.2
449.30014	0.3
467.31485	0.8
469.33359	0.4
485.32315	0.3
487.34024	0.7
488.34698	0.3
513.32129	0.8
571.38782	0.3
633.37927	50.1
634.38312	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	633.3794
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.25503	0.5
60.99176	0.6
64.69135	0.6
68.00078	0.6
78.95800	1.0
90.81446	0.6
117.03349	29.4
118.03671	0.8
119.04919	19.4
119.05750	1.2
120.05165	0.6
121.02835	1.6
135.04462	0.7
145.02853	92.8
146.03162	3.6
161.02341	1.6
163.03914	22.6
164.04289	0.8
170.55096	0.7
300.99557	0.6
469.33307	1.6
470.33554	0.7
471.34119	1.1
571.37994	3.8
578.83337	0.8
589.38483	0.7
607.12561	0.6
633.37921	100.0
634.38306	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	633.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35872	1.4
59.01250	16.3
60.63186	1.4
61.98697	45.7
64.44832	1.2
64.45215	1.2
65.00181	1.2
71.01261	9.0
71.28098	3.2
73.02806	2.8
75.00743	2.0
76.90094	1.1
79.95611	7.6
85.02822	3.5
87.04372	2.2
88.51152	1.2
89.02295	5.4
93.03330	4.7
95.01267	3.1
96.95885	21.2
97.02843	2.1
99.00740	1.8
99.92430	2.9
101.02290	3.9
108.02055	1.7
109.02847	7.2
113.02326	3.5
116.92747	26.0
117.01812	2.8
117.92731	1.4
119.03378	1.5
121.02854	6.2
122.03634	9.3
123.00787	1.7
123.04392	2.7
125.02332	8.9
133.02806	3.3
135.02850	2.5
135.04329	2.8
136.01549	1.5
137.02310	8.7
139.03923	3.6
145.02853	2.3
148.01448	1.6
149.02339	33.6
149.05978	3.6
150.03122	79.9
151.00285	2.3
151.03702	4.1
153.05441	3.6
155.10643	1.8
160.99695	1.3
161.02347	3.4
161.04482	3.5
161.05887	1.2
164.04672	10.9
165.01836	17.3
165.05475	92.9
166.02600	1.8
166.05814	3.6
166.99461	1.3
169.01311	5.5
175.03926	4.0
175.29367	1.4
177.01811	2.9
177.05420	1.5
179.03429	8.8
179.05547	1.7
179.07034	2.4
180.04189	16.1
181.04982	59.9
182.05481	5.0
190.02600	1.5
191.05408	1.7
193.01379	1.7
194.05798	3.6
195.06549	100.0
196.07317	46.8
197.07977	6.7
201.11308	2.7
205.04987	2.9
207.06395	1.5
209.11794	1.7
210.05215	2.1
211.06252	2.3
211.09685	44.5
212.09999	2.4
225.07648	11.9
225.14905	1.6
227.12857	1.6
249.04253	1.3
249.14900	3.2
253.05022	1.8
269.04565	6.9
269.13968	3.9
274.84854	1.4
275.01920	3.0
299.99149	3.1
300.99817	8.9
302.00116	2.1
315.01422	2.0
316.02368	2.8
337.09311	1.4
343.11823	4.9
359.11240	4.2
373.12885	54.7
374.13464	6.5
387.20248	1.7
388.20786	2.3
389.16132	15.6
389.21143	2.8
421.14929	12.4
422.15234	2.2
437.17758	2.0
505.09140	1.6
533.45618	1.4
538.50458	1.4
585.23193	12.4
586.23840	2.0
632.18652	1.7
633.16101	11.0
633.31226	6.1
634.17047	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	633.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62594	0.8
57.03316	1.1
59.01249	18.2
61.98703	54.0
69.03323	1.0
71.01256	8.3
71.51885	1.2
72.99179	2.3
73.02814	3.3
74.98968	1.9
75.00735	1.4
78.95785	1.7
79.95599	4.9
83.01254	1.3
85.02831	3.6
87.00729	1.0
87.04386	3.9
89.02309	3.8
93.03319	5.3
95.01267	3.3
96.95881	14.4
97.02821	1.3
99.00750	1.2
99.04404	1.3
99.92458	2.1
101.02336	3.1
108.02046	1.0
109.02830	6.2
111.00809	1.0
113.02322	3.5
116.92747	25.8
117.01805	2.4
117.92760	2.3
119.03381	1.9
119.04911	2.6
121.02841	6.8
122.03627	14.2
123.00785	1.8
123.04449	2.4
125.02341	7.0
130.33286	0.9
132.02031	1.0
133.02850	3.5
133.06493	1.6
134.03645	2.0
135.02888	1.6
135.04414	2.7
136.01549	1.5
136.98970	1.4
137.02368	6.2
139.00369	1.1
139.03906	2.7
145.02847	1.9
147.04417	1.0
148.01564	1.5
149.02347	43.3
149.05971	2.4
150.03131	90.4
151.03827	5.9
151.07574	1.0
153.05499	5.6
153.09073	2.1
154.09439	1.2
161.02332	1.9
161.04463	2.6
163.03987	1.1
164.01007	1.5
164.04710	10.4
165.01854	19.0
165.05484	95.6
166.02502	1.6
166.05797	4.7
169.01355	3.7
174.03178	1.3
175.03928	2.5
175.07581	0.8
177.01857	2.3
177.05417	1.1
178.02557	1.1
179.03429	11.3
179.05547	1.8
180.04233	17.8
181.04982	65.3
182.05597	6.5
182.24855	0.9
185.00935	1.4
187.03998	1.1
189.01988	1.0
190.02641	1.3
191.05545	1.5
193.05037	0.9
194.05736	3.4
195.06566	100.0
196.07327	51.0
197.08044	6.5
201.11269	4.0
202.11549	1.0
203.03378	1.2
205.05017	5.0
207.13872	1.3
209.11772	1.4
210.05296	1.5
211.09695	39.4
212.09973	2.5
225.05461	1.5
225.07603	12.6
225.11288	1.3
225.14902	2.6
226.15283	2.6
243.06531	1.0
249.14839	1.2
253.04976	1.5
269.04544	3.5
269.13913	6.2
271.02521	1.3
275.01965	1.3
279.06601	1.0
287.01428	1.2
289.07138	1.4
299.09177	1.2
299.99271	1.8
300.99884	7.8
313.07037	1.0
316.02170	1.8
328.09528	2.0
341.06635	0.9
343.11765	4.5
359.11285	4.7
373.12891	52.5
374.13293	8.3
388.20316	1.8
389.16040	12.8
389.21118	2.9
390.16061	1.6
421.14960	13.8
422.15247	1.6
437.17886	1.9
585.23340	14.8
586.23828	3.8
609.14319	1.1
633.06750	1.3
633.15668	5.5
633.30939	5.4
634.16071	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	633.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32757	0.5
54.83917	0.5
55.61276	0.5
57.03318	0.8
57.71753	0.5
59.01240	7.4
61.98697	9.1
65.00177	0.8
65.65418	0.6
69.03339	0.5
71.01254	4.6
72.99164	0.8
73.02813	1.3
74.99005	0.5
75.00751	0.8
83.01246	1.4
83.04901	0.5
85.02827	0.9
87.00748	0.8
88.98680	0.7
89.02311	2.7
89.03820	2.4
91.01770	0.5
93.03357	1.1
94.69518	0.4
95.01248	0.5
95.04884	1.1
96.95882	1.9
101.02323	2.5
105.03328	0.6
108.02057	1.3
109.02836	25.5
110.03168	0.9
113.02332	1.3
115.00272	0.6
117.03326	1.5
119.04887	1.6
121.02859	1.3
123.00731	0.9
123.04397	9.0
125.02331	4.5
125.09589	1.0
133.02846	11.6
135.02879	1.3
135.04407	2.7
137.02335	1.7
138.00917	0.5
138.97014	0.5
141.05408	0.5
145.02856	13.3
146.03214	0.7
147.04427	3.0
148.01567	0.9
149.02335	1.4
150.03105	1.4
151.00279	1.4
151.03909	4.8
152.01031	0.7
153.01854	0.6
159.04399	2.4
161.02339	6.4
161.04474	1.0
161.05925	0.9
162.02960	0.6
163.03938	1.5
165.05539	0.5
169.01285	1.0
171.10149	1.2
174.01669	0.6
174.03090	0.9
175.03906	3.5
176.01042	1.9
177.01845	92.8
178.02205	4.4
178.99811	0.6
179.05505	0.6
187.03902	3.9
187.09756	0.5
189.01849	41.1
190.02606	10.2
191.03397	9.3
201.01846	5.8
201.05423	0.6
202.02306	0.6
203.03397	5.6
205.05013	0.9
207.08025	0.6
209.11768	1.4
213.01881	0.8
216.00606	6.4
217.01361	35.4
218.01953	3.7
219.02919	14.3
220.03033	0.7
225.11153	0.5
227.12929	0.8
229.01453	0.9
231.02931	11.9
232.03502	1.3
233.04402	0.9
243.02945	0.6
251.07040	1.2
253.05017	0.9
255.02994	6.0
256.03445	0.9
261.05588	0.9
265.10776	0.7
267.06516	0.9
269.04553	0.6
271.06174	3.8
275.01926	0.8
277.05008	0.8
278.05887	0.6
279.06628	1.4
281.04590	1.9
282.01663	1.4
285.03961	1.0
287.05637	1.7
287.15106	0.6
289.07086	3.0
293.04474	0.6
295.02539	0.5
295.05969	0.7
297.03964	4.1
297.07117	0.9
297.11804	2.2
299.05597	1.1
300.02646	0.7
300.99939	3.0
301.02927	0.8
302.00458	0.5
303.05069	1.2
305.04535	1.5
308.03159	1.4
323.05576	53.2
324.02893	0.8
324.06042	4.7
327.05368	0.6
327.21729	1.6
332.68442	0.6
335.06198	0.6
339.04865	0.6
341.06619	83.7
342.06973	8.1
353.23288	1.7
355.24982	0.7
373.26056	1.0
391.08356	0.8
433.09256	15.6
433.18298	0.6
434.09723	1.8
451.10321	100.0
452.10678	12.8
452.16052	0.4
501.31262	0.5
505.15488	1.2
633.20062	3.7
633.35266	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	633.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.2
62.86193	1.1
63.48948	1.1
70.70296	1.1
70.86278	1.1
71.01258	2.5
72.99178	3.5
73.02811	3.3
75.00748	20.3
79.95603	2.7
87.00732	4.7
89.02306	5.3
93.03309	2.5
96.95887	10.4
99.00748	1.7
100.74030	1.1
107.04839	1.0
108.02054	1.6
109.02824	3.3
111.00713	1.3
111.73697	1.1
112.36298	1.2
113.02309	1.7
116.18839	1.1
117.01823	6.1
117.03323	1.6
119.04916	8.7
121.02859	2.2
123.04395	3.4
125.02348	5.9
130.30365	1.1
133.02859	19.5
135.02884	100.0
135.04391	17.4
136.04797	1.5
137.02344	3.3
145.02856	10.0
147.04366	1.8
149.02299	1.5
150.03140	1.4
151.00336	1.5
159.04393	2.2
161.02361	13.5
163.03931	2.6
167.84724	1.2
169.01276	3.3
173.02277	4.2
173.04536	1.3
174.03110	2.3
175.03888	2.5
177.01842	4.6
177.05460	2.3
179.03409	24.5
187.53760	1.2
189.01842	3.3
189.05504	2.1
196.49582	1.3
203.03395	1.4
217.06543	1.8
219.02899	4.5
219.08171	6.1
221.00810	1.4
235.07549	3.8
237.05470	3.2
237.09137	4.2
244.05305	2.3
245.06032	24.9
246.06499	2.4
247.07576	5.9
261.05557	3.6
263.07098	23.2
264.07407	2.3
271.02444	3.6
271.05997	1.9
273.05505	8.9
274.06247	3.3
279.05081	29.4
280.05542	1.7
283.06168	1.3
289.04529	1.7
289.07599	6.9
290.05933	2.9
291.06540	14.9
297.06137	43.1
298.06418	2.4
300.02753	3.7
300.99863	5.7
301.03256	1.7
307.06088	42.9
308.06476	3.9
317.04498	5.3
318.05328	3.1
334.04944	1.9
335.05594	96.2
336.05878	10.1
341.06396	1.8
391.08362	1.5
435.10880	3.0
447.09192	6.0
451.12659	1.4
453.08273	7.9
454.08762	1.3
471.09116	2.3
515.12158	2.5
532.05353	1.3
580.36108	1.3
633.15350	13.3
634.15314	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	633.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03279	0.7
59.01248	6.0
61.98699	49.2
69.19153	5.4
71.01244	3.4
72.99173	1.7
73.02807	0.9
75.00741	14.9
79.95621	0.8
80.41130	0.5
85.02818	0.9
87.00766	0.9
88.98666	0.6
89.02319	4.3
93.03318	1.0
96.95895	5.6
98.10294	0.5
99.00761	0.6
101.02310	1.5
108.02050	0.7
109.02831	1.7
113.02354	1.0
115.05489	0.6
117.01834	1.6
117.03325	2.0
119.04897	8.5
120.05190	0.6
121.02879	0.7
122.25584	0.5
123.00782	0.8
123.04426	1.5
125.02353	3.2
132.02023	1.2
133.02844	16.5
134.03604	1.8
135.02884	100.0
135.04367	14.8
136.03227	1.8
137.02341	2.7
139.55214	0.5
143.04865	0.6
145.02849	7.8
147.04472	0.7
149.02338	0.6
150.03088	0.7
151.00293	0.5
151.03918	1.0
153.01767	0.5
157.02856	0.5
158.03598	0.7
159.04430	1.6
161.02347	8.2
163.03929	1.1
165.01837	7.6
166.06270	0.8
167.03374	1.1
169.01341	1.4
171.04446	0.5
172.01466	0.5
173.02399	3.0
174.03127	1.5
175.03905	2.5
177.01836	1.9
177.05515	1.6
179.01842	1.0
179.03409	18.4
180.04152	4.0
189.01836	1.4
189.05460	0.6
191.05542	0.9
193.01349	0.6
193.04903	0.7
195.06558	5.3
199.03957	0.6
203.03416	1.7
205.04971	0.8
210.05229	0.6
217.06558	1.2
219.08134	4.9
221.04489	2.1
225.07600	5.7
225.11246	0.7
235.07643	3.2
237.05501	2.2
237.09117	4.2
244.05334	1.8
245.06047	14.0
246.06563	2.5
247.07669	4.8
257.00845	0.5
258.01846	0.6
259.06107	2.0
261.56671	0.5
263.07123	18.6
264.07480	1.6
271.06049	0.5
272.04840	0.6
273.05600	3.8
274.06308	1.9
275.02008	0.9
279.05161	0.9
289.04938	1.5
289.07568	1.0
290.05789	3.0
291.06592	14.9
292.07126	1.2
293.04526	0.6
295.04648	0.8
297.06131	61.9
298.06537	4.4
298.98492	0.6
299.99094	1.8
300.02646	0.7
300.99963	3.4
301.03195	0.7
305.06851	0.5
307.06082	16.6
308.06433	1.9
315.01395	0.6
317.04404	1.0
318.05399	1.1
335.05594	36.4
336.05954	4.0
339.07248	6.9
369.08240	1.4
373.12918	0.7
399.09390	2.4
409.10690	0.6
427.11896	1.1
451.12656	0.6
453.08182	5.3
517.14368	0.5
633.14728	13.8
633.31299	0.8
634.15417	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	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.4
59.01249	4.2
61.98705	3.2
63.76610	0.3
69.45561	2.6
71.01241	2.5
72.99181	1.4
74.00316	0.4
75.00745	14.1
81.00761	0.3
83.01294	0.5
83.60295	0.3
85.02821	0.4
87.00771	0.7
89.02319	4.0
90.39201	0.4
93.03348	0.8
96.95877	4.5
97.02820	0.5
99.00743	0.4
101.02322	0.6
105.03330	0.4
107.04924	0.5
109.02842	1.3
111.00751	0.6
113.02329	1.0
115.00298	0.3
116.92683	0.4
117.01827	1.9
117.02615	0.4
117.03295	2.0
119.03458	0.7
119.04910	8.8
120.05216	0.3
121.02831	2.0
123.00816	0.9
123.04433	0.6
124.01559	0.6
125.02347	2.6
133.02841	12.2
134.03729	1.6
135.02884	100.0
135.04370	14.3
136.03233	2.0
136.04756	0.7
137.02327	3.6
139.03784	0.4
143.04816	0.5
145.02855	7.0
146.03145	0.5
147.04449	0.6
149.02313	0.6
149.06000	1.1
151.00249	0.5
151.03920	0.9
157.02803	0.5
158.03650	0.7
159.04419	1.3
160.01601	0.7
161.02351	7.7
161.05956	0.6
162.02759	0.6
163.03938	1.5
164.01091	0.5
165.01834	12.2
165.05368	0.4
166.02411	0.6
166.06256	5.5
169.01340	1.0
173.02351	3.9
173.04489	0.5
174.03058	0.8
175.03870	1.8
177.01837	1.3
177.05452	2.9
178.02574	0.3
179.03409	24.8
180.04166	9.6
181.04890	1.0
181.08617	3.3
182.05374	0.4
187.03874	0.5
189.01826	1.1
189.05417	0.3
191.05508	0.6
191.06979	0.4
191.08594	0.6
193.04936	0.5
194.05782	0.8
195.02948	0.6
195.06544	12.8
196.07318	0.7
199.81526	0.4
203.03453	1.1
203.07170	0.5
205.04958	2.1
210.05283	1.6
217.01247	0.6
217.06599	0.6
219.02722	0.4
219.04692	0.6
219.08148	4.2
221.04480	1.5
221.06293	0.5
225.07623	12.1
226.07973	0.9
235.07829	2.9
237.05531	1.6
237.09065	3.2
244.05214	1.4
245.06046	10.1
245.08553	0.4
246.06601	1.5
247.07623	4.4
259.06116	1.7
261.05478	0.6
263.07111	14.2
264.07425	1.6
265.07236	0.5
269.04565	1.5
271.02466	0.5
272.04803	0.8
273.05527	3.0
274.06281	1.2
277.04855	0.4
279.05103	3.2
287.05798	0.7
287.09052	0.8
289.04800	0.9
289.07510	0.7
290.05704	2.5
291.06616	12.6
292.07016	1.0
295.04889	0.4
295.08185	0.7
297.06134	62.9
298.06479	4.2
300.02722	0.5
300.96710	0.4
300.99823	2.1
301.03049	0.8
307.06058	7.4
308.06424	1.0
317.04443	0.8
318.05212	0.5
335.05582	29.2
336.05856	3.5
339.07175	6.3
340.07657	0.6
359.15137	1.4
369.08231	1.0
399.09109	1.9
403.14001	3.1
453.08276	3.4
459.11307	1.1
471.09174	1.2
515.11615	0.7
577.06635	0.4
585.23566	2.3
633.14337	9.7
634.14240	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	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.4
59.01249	4.2
61.98705	3.2
63.76610	0.3
69.45561	2.6
71.01241	2.5
72.99181	1.4
74.00316	0.4
75.00745	14.1
81.00761	0.3
83.01294	0.5
83.60295	0.3
85.02821	0.4
87.00771	0.7
89.02319	4.0
90.39201	0.4
93.03348	0.8
96.95877	4.5
97.02820	0.5
99.00743	0.4
101.02322	0.6
105.03330	0.4
107.04924	0.5
109.02842	1.3
111.00751	0.6
113.02329	1.0
115.00298	0.3
116.92683	0.4
117.01827	1.9
117.02615	0.4
117.03295	2.0
119.03458	0.7
119.04910	8.8
120.05216	0.3
121.02831	2.0
123.00816	0.9
123.04433	0.6
124.01559	0.6
125.02347	2.6
133.02841	12.2
134.03729	1.6
135.02884	100.0
135.04370	14.3
136.03233	2.0
136.04756	0.7
137.02327	3.6
139.03784	0.4
143.04816	0.5
145.02855	7.0
146.03145	0.5
147.04449	0.6
149.02313	0.6
149.06000	1.1
151.00249	0.5
151.03920	0.9
157.02803	0.5
158.03650	0.7
159.04419	1.3
160.01601	0.7
161.02351	7.7
161.05956	0.6
162.02759	0.6
163.03938	1.5
164.01091	0.5
165.01834	12.2
165.05368	0.4
166.02411	0.6
166.06256	5.5
169.01340	1.0
173.02351	3.9
173.04489	0.5
174.03058	0.8
175.03870	1.8
177.01837	1.3
177.05452	2.9
178.02574	0.3
179.03409	24.8
180.04166	9.6
181.04890	1.0
181.08617	3.3
182.05374	0.4
187.03874	0.5
189.01826	1.1
189.05417	0.3
191.05508	0.6
191.06979	0.4
191.08594	0.6
193.04936	0.5
194.05782	0.8
195.02948	0.6
195.06544	12.8
196.07318	0.7
199.81526	0.4
203.03453	1.1
203.07170	0.5
205.04958	2.1
210.05283	1.6
217.01247	0.6
217.06599	0.6
219.02722	0.4
219.04692	0.6
219.08148	4.2
221.04480	1.5
221.06293	0.5
225.07623	12.1
226.07973	0.9
235.07829	2.9
237.05531	1.6
237.09065	3.2
244.05214	1.4
245.06046	10.1
245.08553	0.4
246.06601	1.5
247.07623	4.4
259.06116	1.7
261.05478	0.6
263.07111	14.2
264.07425	1.6
265.07236	0.5
269.04565	1.5
271.02466	0.5
272.04803	0.8
273.05527	3.0
274.06281	1.2
277.04855	0.4
279.05103	3.2
287.05798	0.7
287.09052	0.8
289.04800	0.9
289.07510	0.7
290.05704	2.5
291.06616	12.6
292.07016	1.0
295.04889	0.4
295.08185	0.7
297.06134	62.9
298.06479	4.2
300.02722	0.5
300.96710	0.4
300.99823	2.1
301.03049	0.8
307.06058	7.4
308.06424	1.0
317.04443	0.8
318.05212	0.5
335.05582	29.2
336.05856	3.5
339.07175	6.3
340.07657	0.6
359.15137	1.4
369.08231	1.0
399.09109	1.9
403.14001	3.1
453.08276	3.4
459.11307	1.1
471.09174	1.2
515.11615	0.7
577.06635	0.4
585.23566	2.3
633.14337	9.7
634.14240	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	633.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.2
62.86193	1.1
63.48948	1.1
70.70296	1.1
70.86278	1.1
71.01258	2.5
72.99178	3.5
73.02811	3.3
75.00748	20.3
79.95603	2.7
87.00732	4.7
89.02306	5.3
93.03309	2.5
96.95887	10.4
99.00748	1.7
100.74030	1.1
107.04839	1.0
108.02054	1.6
109.02824	3.3
111.00713	1.3
111.73697	1.1
112.36298	1.2
113.02309	1.7
116.18839	1.1
117.01823	6.1
117.03323	1.6
119.04916	8.7
121.02859	2.2
123.04395	3.4
125.02348	5.9
130.30365	1.1
133.02859	19.5
135.02884	100.0
135.04391	17.4
136.04797	1.5
137.02344	3.3
145.02856	10.0
147.04366	1.8
149.02299	1.5
150.03140	1.4
151.00336	1.5
159.04393	2.2
161.02361	13.5
163.03931	2.6
167.84724	1.2
169.01276	3.3
173.02277	4.2
173.04536	1.3
174.03110	2.3
175.03888	2.5
177.01842	4.6
177.05460	2.3
179.03409	24.5
187.53760	1.2
189.01842	3.3
189.05504	2.1
196.49582	1.3
203.03395	1.4
217.06543	1.8
219.02899	4.5
219.08171	6.1
221.00810	1.4
235.07549	3.8
237.05470	3.2
237.09137	4.2
244.05305	2.3
245.06032	24.9
246.06499	2.4
247.07576	5.9
261.05557	3.6
263.07098	23.2
264.07407	2.3
271.02444	3.6
271.05997	1.9
273.05505	8.9
274.06247	3.3
279.05081	29.4
280.05542	1.7
283.06168	1.3
289.04529	1.7
289.07599	6.9
290.05933	2.9
291.06540	14.9
297.06137	43.1
298.06418	2.4
300.02753	3.7
300.99863	5.7
301.03256	1.7
307.06088	42.9
308.06476	3.9
317.04498	5.3
318.05328	3.1
334.04944	1.9
335.05594	96.2
336.05878	10.1
341.06396	1.8
391.08362	1.5
435.10880	3.0
447.09192	6.0
451.12659	1.4
453.08273	7.9
454.08762	1.3
471.09116	2.3
515.12158	2.5
532.05353	1.3
580.36108	1.3
633.15350	13.3
634.15314	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	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72543	0.7
59.01245	7.3
61.98703	42.0
64.60949	0.7
67.20842	0.7
69.18629	7.8
71.01250	3.1
72.99196	1.9
75.00748	16.5
79.95600	0.8
85.02809	1.5
89.02287	3.7
90.57065	0.6
91.85506	0.7
93.03310	1.1
96.95892	8.2
99.00752	0.8
101.02295	1.7
108.02023	0.9
109.02819	1.1
109.99983	0.8
113.02358	1.0
117.01798	1.8
117.03335	1.9
119.03513	0.8
119.04936	8.9
121.02853	1.3
123.00769	1.2
123.04412	1.4
125.02363	4.1
133.02855	12.9
134.03622	2.9
135.02888	100.0
135.04379	15.0
136.03247	1.9
136.04720	0.8
137.02350	2.8
139.03868	0.7
143.04964	1.2
145.02844	6.1
149.05981	1.0
157.02841	0.8
159.04420	2.5
161.02364	7.9
163.03954	1.9
165.01834	6.8
169.01291	1.3
171.04443	0.7
173.02322	4.7
174.03148	1.2
175.03908	2.8
177.01884	2.9
177.05559	2.2
179.03409	21.1
180.04166	4.2
187.03940	0.7
189.01912	1.3
191.05510	0.9
191.08521	0.8
195.06554	5.6
196.07243	0.8
203.03503	1.8
219.08064	5.2
221.04329	1.3
225.07651	5.2
235.07629	3.1
237.05553	2.2
237.09186	4.4
244.05219	1.7
245.06064	13.3
246.06642	2.5
247.07634	5.1
259.06158	2.7
261.05597	0.9
263.07117	15.5
264.07446	1.7
271.06226	0.8
272.04803	1.5
273.05530	3.5
274.06320	1.3
277.04938	0.8
287.05627	1.9
289.07294	1.1
290.06009	2.7
291.06635	14.7
292.07104	1.4
293.04434	0.9
297.06143	65.3
298.06439	3.9
300.99878	2.7
301.03064	1.1
307.06091	16.1
308.06485	1.9
315.01273	1.3
335.05618	40.2
336.05927	4.5
339.07251	5.8
369.08545	0.8
399.09412	2.6
453.07956	3.9
454.08847	1.3
459.11398	1.0
515.10187	0.9
524.61694	0.7
633.05231	1.2
633.14886	15.9
634.14868	1.8
650.44171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0738
Annotation	Corilagin
Peak:m/z	Relative Intensity
59.01254	0.4
59.02161	0.3
71.01254	0.9
71.15596	0.3
73.78960	0.3
75.77888	0.3
84.19393	0.3
95.01259	1.1
97.74705	0.3
100.36890	0.3
101.02378	0.3
102.63415	0.3
107.01273	0.6
109.02753	0.4
123.00751	2.7
125.02332	3.8
130.24541	0.3
131.04912	0.3
133.02864	0.7
135.04401	0.5
137.02261	0.3
139.00291	0.5
145.02844	1.3
147.04405	1.0
149.02281	0.3
151.00296	0.8
157.02872	1.1
159.04340	0.8
163.03929	1.3
165.01787	0.4
166.99825	0.3
169.01355	2.9
173.02316	1.8
173.04514	0.3
175.03876	1.7
176.04536	0.3
176.20805	0.3
177.01817	0.8
179.03477	0.4
185.02357	3.7
187.03888	0.5
189.01814	1.0
190.02644	0.3
191.03351	0.8
191.05515	0.9
193.01367	0.4
201.01877	3.6
202.02324	0.4
203.03409	4.1
211.02371	0.5
213.01950	0.7
214.02612	0.4
217.01311	0.7
218.02248	0.3
219.02945	0.8
221.04477	0.7
222.01508	0.3
229.01375	7.6
230.01903	0.9
231.02959	3.4
244.00017	0.4
245.00938	2.0
247.02449	1.0
249.04002	4.4
257.00900	6.0
258.01578	2.2
259.02252	0.5
273.00308	1.3
274.01151	0.7
275.01962	16.4
276.02310	1.2
283.99683	2.9
285.00107	0.4
299.99057	3.0
300.99884	100.0
302.00229	8.3
302.03735	0.4
331.06870	0.6
357.29962	0.3
373.60413	0.4
463.05200	2.4
464.05615	0.5
465.06393	0.5
633.07300	40.5
634.07605	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	633.0729
Annotation	Corilagin
Peak:m/z	Relative Intensity
55.40756	0.3
57.68258	0.3
57.88165	0.3
59.01244	1.0
69.65253	0.3
71.01246	1.1
71.06826	1.0
85.02818	1.0
89.02282	0.5
93.03353	0.6
95.01250	1.5
107.01258	1.3
109.02848	0.6
115.00249	0.7
119.03350	0.4
119.04903	0.8
120.99544	0.3
123.00770	2.2
125.02326	4.9
129.03358	0.5
131.04829	0.5
133.01303	0.4
133.02852	0.7
135.04401	1.6
137.02295	0.4
145.02838	1.5
147.04442	0.8
151.03789	0.4
157.02820	0.8
159.04407	1.3
161.02350	0.8
163.03905	1.0
169.01323	3.6
173.02365	2.3
173.04446	1.5
173.05811	0.4
175.03908	1.6
177.01863	0.5
179.03377	1.2
185.02367	3.3
186.02672	0.4
187.03902	0.6
189.01869	1.0
190.02605	0.6
191.03380	1.0
191.05524	2.7
193.01360	0.5
201.01834	3.6
202.02374	0.4
203.03409	3.9
211.02449	0.5
213.01799	0.8
217.01318	0.8
219.02853	0.8
226.99768	0.8
228.00616	0.4
229.01353	8.6
230.01875	0.6
231.02829	2.6
245.00807	2.1
247.02480	0.9
249.04051	4.0
255.10289	0.9
257.00833	6.7
258.01654	2.1
273.00391	1.1
274.01178	1.2
275.01962	20.3
276.02264	1.5
283.99655	3.0
285.00146	0.4
291.10748	0.9
299.01907	0.6
299.99115	3.1
300.99875	100.0
302.00208	8.1
356.82648	0.4
404.05896	0.4
421.03949	1.2
447.52866	0.4
463.05103	3.4
464.04947	0.4
481.06158	2.0
517.13812	0.9
539.46771	0.3
633.07288	41.8
634.07440	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	633.0733
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
55.95171	0.3
59.01240	0.5
69.33734	2.4
69.34148	0.9
89.03832	0.4
95.01242	0.9
98.20554	0.7
105.28289	0.3
107.01270	0.4
117.03363	0.5
119.04888	0.5
123.00708	2.2
125.02312	2.7
129.03352	0.8
133.02863	0.4
145.02838	1.5
147.04437	0.9
154.14616	0.4
157.02864	1.6
159.04398	1.2
161.02333	0.4
163.03870	0.6
169.01369	2.3
173.02364	2.2
175.03918	1.2
177.01750	0.6
185.02347	3.7
189.01817	0.7
190.02620	0.5
191.03426	1.1
201.01855	4.3
203.03429	3.9
211.02307	0.5
213.01859	0.9
217.01332	0.5
219.03012	0.9
226.99821	0.8
228.00615	0.6
229.01367	7.8
230.01746	0.8
231.02893	2.7
245.00858	2.2
247.02452	0.8
249.04041	3.9
257.00885	6.1
258.01642	1.7
273.00455	0.8
274.01196	0.7
275.01971	14.6
276.02219	0.8
283.99609	3.1
299.99094	2.9
300.99869	100.0
302.00198	7.6
306.78647	0.4
329.88293	0.4
331.06686	0.7
352.85730	0.3
404.73380	0.4
463.05179	3.1
510.83548	0.3
560.72742	0.4
615.05316	0.6
633.07269	51.0
634.07574	9.1
657.86798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79625	0.1
52.07018	0.1
57.03315	0.3
59.01247	3.4
60.01585	0.3
61.98700	100.0
62.98392	0.2
63.02284	0.1
71.01247	1.5
71.51250	0.2
72.01585	0.2
73.02817	0.5
75.00753	0.3
76.46295	0.1
83.01275	0.2
83.02405	0.1
85.02836	0.5
87.00780	0.2
88.98671	0.2
89.02309	0.6
93.03330	0.1
95.04904	0.7
96.05238	0.2
96.95882	1.9
101.02351	0.7
109.02862	0.4
113.02335	0.5
119.03351	0.2
121.02789	0.1
125.02349	0.6
134.03648	0.1
135.02901	0.2
135.04358	0.2
137.02376	0.4
137.09633	0.1
146.08177	0.4
151.00291	0.4
151.03972	0.2
153.01849	0.1
161.02348	0.4
161.04471	0.3
163.60828	0.1
164.01025	0.2
169.01335	0.3
175.03896	0.2
177.01860	0.3
179.03259	0.2
181.08641	1.0
182.08987	0.6
183.09105	0.3
187.03975	0.1
197.06094	0.1
209.11674	0.2
217.01521	0.2
217.05054	0.2
222.03288	0.1
226.15390	0.2
227.12881	0.3
228.13159	0.2
269.04541	0.3
271.02603	0.4
272.02866	0.2
273.03156	0.3
274.03690	0.2
289.07361	0.2
297.11841	0.3
299.99323	0.2
300.02887	0.4
300.99890	0.6
301.03366	0.5
302.03595	0.5
303.03705	0.2
307.02670	0.2
324.02805	0.4
325.03223	0.8
326.04013	0.3
380.15613	0.2
388.20667	0.2
389.21423	0.3
404.16513	0.2
471.31146	0.4
569.26056	0.3
614.29187	0.2
632.19220	1.3
632.30359	2.0
633.18103	0.4
633.30780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10238	0.6
59.01228	1.1
61.98702	3.7
65.30864	0.7
71.50216	0.8
78.95747	1.5
80.96403	0.9
117.03348	29.4
118.03695	1.2
119.04905	21.5
121.02863	1.6
123.04409	1.4
145.02852	100.0
146.03172	3.2
163.03909	14.1
164.04254	1.4
188.62225	0.7
250.69318	0.7
255.23303	0.8
277.94788	0.8
300.15125	0.9
301.00052	1.0
355.35809	0.7
409.38962	0.7
421.31186	4.4
422.31644	0.8
423.32690	2.0
467.31448	1.3
469.33380	3.5
483.31372	0.9
585.35944	5.7
586.36090	1.1
587.37427	10.7
588.37488	2.8
606.81152	0.8
631.36365	97.2
632.36737	22.2
632.59760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
61.86865	0.4
61.98705	3.4
78.95781	1.1
80.96385	0.5
117.03342	12.7
119.04911	100.0
120.05225	4.8
145.02849	43.3
146.03192	1.5
163.03912	89.2
164.04239	3.6
175.03961	1.0
255.23384	0.6
255.71294	0.5
286.11240	0.5
317.46457	0.5
421.30856	0.7
437.30423	0.8
439.32495	1.4
469.33286	4.3
470.33432	0.6
533.99298	0.5
585.35760	0.6
587.37024	0.8
605.37219	0.6
631.36353	78.1
632.09003	0.6
632.36823	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	632.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
57.77175	0.1
59.01250	3.9
61.01667	0.2
61.98701	100.0
62.98396	0.2
67.64477	0.1
69.03285	0.1
69.22478	0.4
69.22889	1.1
70.62067	0.1
70.92490	0.1
71.01247	1.6
72.01588	0.2
72.99186	0.4
73.02822	0.2
74.98970	0.2
75.00745	3.9
76.65042	0.2
79.95593	0.3
83.01252	0.3
85.02821	0.7
87.00779	0.2
87.04385	0.9
88.38385	0.1
88.98685	0.2
89.02317	1.7
89.04840	0.2
93.03323	0.3
94.58975	0.2
95.01268	0.2
95.04948	0.2
96.95890	1.5
97.02808	0.2
101.02321	0.7
105.03302	0.1
107.04912	0.2
109.02843	0.6
109.06461	0.3
111.00788	0.2
111.04414	0.2
113.02325	0.6
115.00262	0.5
115.66527	0.1
117.01828	0.4
117.03334	0.7
119.03393	0.5
119.04901	2.8
121.02794	0.1
123.04398	0.6
123.08070	0.2
125.02338	1.2
126.02634	0.2
132.02023	0.3
133.01314	0.4
133.02844	4.7
134.03627	0.3
135.02887	26.1
135.04385	5.1
136.04747	0.5
137.02362	0.9
137.05991	0.5
138.06317	0.2
139.11208	0.2
143.04886	0.3
145.02853	2.2
149.02322	0.4
149.05956	0.3
150.03101	0.2
151.03902	0.3
155.24947	0.2
157.02895	0.2
158.03671	0.2
159.04401	0.6
160.01636	0.3
161.02353	2.6
161.04459	0.5
161.05891	0.2
162.02986	0.2
163.03909	0.4
165.01816	2.0
165.05487	0.2
166.02644	0.2
169.01352	0.4
172.01535	0.2
173.02371	1.2
174.03023	0.2
175.03917	0.6
177.01862	0.9
177.05424	0.3
178.02275	0.2
179.03418	7.5
179.05273	0.3
179.05606	0.3
180.04080	1.7
180.05688	0.3
181.04922	0.2
183.10172	0.2
187.03908	0.3
189.01881	0.5
190.02405	0.2
191.05522	0.4
191.08498	0.2
195.06563	1.9
201.11250	1.2
202.11613	0.8
203.03424	0.4
203.11824	0.5
204.11990	0.2
205.04868	0.3
215.03677	0.2
215.07045	0.2
216.13310	0.2
217.06491	0.3
219.08078	1.6
221.04433	0.6
225.07640	1.8
225.11133	0.9
226.11542	1.1
227.11745	0.7
228.12103	0.3
231.02812	0.2
233.06015	0.2
235.07719	0.8
237.05493	0.6
237.09283	1.1
237.11432	0.2
243.12421	0.3
244.05225	0.6
244.12614	0.3
244.76300	0.1
245.03622	0.3
245.06029	4.4
246.06494	0.8
247.07692	1.7
248.07869	0.2
257.12943	0.2
259.06149	0.3
261.05579	0.4
263.07129	5.5
264.07330	0.4
271.06030	0.3
272.04727	0.3
273.05597	0.9
274.06161	0.5
289.02032	0.2
289.04788	0.5
289.07162	0.6
290.05750	0.8
291.06616	4.0
292.06888	0.3
293.04419	0.3
297.06131	16.6
299.99231	0.3
300.02594	0.2
301.00070	0.7
301.02972	0.2
307.06097	5.6
308.06445	1.1
309.07413	0.4
318.05283	0.4
335.05585	13.1
336.05887	2.3
337.05981	0.2
339.07217	1.5
342.07053	0.5
359.15128	0.2
360.26224	0.2
369.08163	0.4
399.09125	0.5
451.12152	0.3
453.08331	1.4
458.11447	0.2
459.11536	0.3
471.09314	0.4
515.10663	0.2
516.12164	0.3
589.19147	0.3
614.13599	0.3
632.30768	0.2
633.14594	4.8
640.71600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10238	0.6
59.01228	1.1
61.98702	3.7
65.30864	0.7
71.50216	0.8
78.95747	1.5
80.96403	0.9
117.03348	29.4
118.03695	1.2
119.04905	21.5
121.02863	1.6
123.04409	1.4
145.02852	100.0
146.03172	3.2
163.03909	14.1
164.04254	1.4
188.62225	0.7
250.69318	0.7
255.23303	0.8
277.94788	0.8
300.15125	0.9
301.00052	1.0
355.35809	0.7
409.38962	0.7
421.31186	4.4
422.31644	0.8
423.32690	2.0
467.31448	1.3
469.33380	3.5
483.31372	0.9
585.35944	5.7
586.36090	1.1
587.37427	10.7
588.37488	2.8
606.81152	0.8
631.36365	97.2
632.36737	22.2
632.59760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.5
57.03325	6.4
58.00461	1.3
59.01249	90.8
60.01567	1.3
61.98701	9.0
68.99681	0.7
69.03325	0.8
69.31058	6.5
71.01251	47.6
71.04884	2.6
72.99186	1.9
73.02819	11.8
73.19844	0.8
75.00758	1.9
79.95580	0.7
81.03348	1.1
83.01242	4.4
85.02820	17.5
87.00758	1.9
87.04389	32.6
88.98685	1.2
89.02317	18.7
93.03340	1.3
95.01270	4.4
95.04900	3.6
96.95886	3.9
97.02834	4.0
98.57893	0.7
99.00755	3.8
101.02318	27.0
102.02663	1.0
107.01246	1.3
109.02834	3.0
109.06494	1.1
111.00756	1.1
113.02332	20.1
113.06036	0.8
119.03392	6.8
121.02814	1.7
123.04417	1.8
123.08073	0.8
125.02331	9.2
125.05951	1.2
133.06477	1.0
135.02934	0.9
135.04414	2.1
135.08040	1.1
137.02336	1.3
137.05894	1.4
137.09604	1.8
138.06755	15.5
139.03886	0.8
139.07478	0.7
139.11159	4.8
143.03398	4.4
145.02843	0.9
147.04312	0.8
149.02333	3.5
150.03087	2.6
151.00267	2.6
151.03894	1.9
153.01855	1.8
153.05595	1.1
153.09114	47.9
154.09471	1.6
155.10628	0.8
157.12207	0.8
159.02896	4.8
159.04071	0.7
161.04462	50.9
162.04787	1.5
162.72873	0.8
164.04639	0.9
165.01814	3.2
165.05417	2.9
166.02673	0.7
167.03419	0.9
168.04120	1.4
169.01375	2.0
175.00226	2.5
175.03882	1.8
177.01849	3.1
179.03395	1.3
179.05536	7.6
181.04951	1.1
181.08656	6.3
183.10173	2.1
189.01785	1.8
190.02599	4.6
191.03311	1.1
191.05470	1.7
195.06569	3.4
201.11253	50.7
202.11589	2.6
205.03348	1.1
205.04991	5.4
207.06435	1.1
207.13834	5.4
208.03716	0.9
223.06021	3.5
225.14905	100.0
226.15289	5.7
227.03409	9.1
228.03908	1.0
255.02968	13.9
256.03448	2.1
275.01959	1.0
284.03281	13.9
285.03992	14.1
286.04239	1.2
289.07196	2.5
292.03790	1.8
298.98560	0.8
299.99045	1.7
300.99863	3.4
303.05276	4.1
303.08221	0.7
305.04443	0.9
315.01254	1.8
315.04697	0.9
333.03873	1.5
336.98746	0.9
352.09491	1.6
379.08246	2.5
387.20224	95.8
388.20477	9.0
431.19095	3.0
495.20242	1.1
549.23010	0.9
593.26123	5.6
594.26001	1.7
595.26849	1.6
631.20270	13.1
631.29053	0.9
632.19952	2.3
642.92096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08189	0.5
57.44284	0.6
59.01234	0.6
63.02253	0.6
65.00179	1.4
70.31159	1.3
70.31519	1.1
71.01250	0.8
83.01266	1.1
85.02843	0.6
88.23667	0.6
97.02870	0.7
107.01260	4.0
109.02830	1.1
123.00788	1.4
124.01532	2.7
125.02335	6.6
135.00772	1.0
137.02351	2.3
138.48114	0.5
149.02402	0.6
151.00264	9.8
152.00966	0.7
161.02327	1.5
163.00262	1.5
164.01068	1.9
169.01314	6.9
178.99788	8.8
185.02336	0.6
189.02081	0.6
190.99818	0.7
192.00513	1.1
193.01215	0.6
199.04002	0.8
203.03357	1.3
204.04297	0.6
205.81332	0.6
214.02713	5.6
215.03445	1.3
227.03406	2.1
231.03027	0.9
232.03818	0.7
241.03310	0.7
242.02174	5.7
243.03027	3.3
245.04285	0.6
247.02399	0.7
259.02426	5.9
260.03015	1.0
270.01657	6.3
271.02454	42.1
272.02850	2.5
275.02151	0.7
281.84354	0.7
287.01978	24.1
288.02631	3.9
299.01907	2.5
300.81754	0.6
300.99866	0.8
313.05737	0.9
315.01486	1.6
316.02216	100.0
317.02832	20.9
318.03375	1.5
405.36560	0.6
445.02057	0.6
450.99475	0.7
479.08298	31.6
480.08691	3.7
631.09351	75.3
632.09637	12.6
655.29187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09941	0.5
54.09761	0.5
57.03315	1.0
59.01251	7.8
61.98701	6.0
69.03294	0.6
71.01247	6.2
72.99157	0.8
73.02791	1.9
75.00745	2.5
78.09673	0.6
78.95765	1.5
80.80881	0.5
83.01225	0.9
83.04877	0.7
85.02826	2.5
85.06454	0.7
87.00727	1.1
87.04345	0.7
89.02325	4.5
93.03335	0.8
95.01243	2.1
96.95879	2.2
98.02319	0.7
98.95433	0.6
99.00749	1.2
99.04378	1.8
101.02316	3.7
106.84171	0.5
108.01991	0.7
109.02816	1.0
111.04391	0.5
111.08019	0.6
113.02305	2.0
116.92704	0.5
119.03352	0.8
119.04874	1.1
123.00793	2.8
123.08041	0.8
125.02348	5.2
125.05972	0.7
129.03278	0.6
131.03355	1.6
131.04942	0.6
133.02834	0.8
135.04373	0.7
135.06516	0.9
137.02301	0.9
143.03323	0.5
145.02849	2.1
147.04391	1.5
149.04433	1.9
151.00288	1.1
151.03918	0.7
151.11230	2.6
152.00952	0.6
157.02800	1.6
159.04413	1.7
161.02325	1.3
161.04482	0.8
163.03857	1.7
167.10648	2.8
169.01373	2.6
169.02573	0.6
171.10179	0.6
173.02351	2.4
174.03113	0.7
175.00244	0.6
175.03914	4.4
177.01851	1.3
179.10539	0.7
185.02345	4.8
185.11708	1.9
187.03891	1.1
189.01784	1.5
190.02582	1.0
191.03409	2.1
191.05484	1.6
193.01367	0.9
201.01923	5.8
201.11191	3.6
202.02545	0.8
203.03424	7.6
209.11772	4.5
210.12209	0.6
211.13339	3.7
211.15079	0.6
213.01785	1.8
214.02547	0.9
217.01370	1.3
218.02075	0.6
219.02924	1.8
227.12904	0.8
229.01384	11.7
230.01804	1.4
231.02928	6.6
239.16434	1.2
245.00798	2.6
247.02386	2.0
249.03943	6.1
251.16486	0.6
253.09213	0.8
257.00885	10.9
258.01639	4.1
261.26678	0.6
271.02454	0.9
273.00293	0.7
274.01221	1.2
275.01968	46.6
276.02240	2.7
283.99567	2.4
289.21747	0.8
293.08826	1.2
297.11874	0.9
298.98428	0.7
299.01752	0.6
299.99127	3.4
300.02161	0.8
300.99875	100.0
302.00232	6.4
307.22861	2.1
319.00937	1.0
333.20752	1.4
337.23734	1.2
351.21817	1.3
355.24948	1.8
357.26730	0.9
430.17422	0.6
439.26657	0.7
631.16754	45.0
631.32965	14.8
632.17133	7.8
632.33295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.1
59.01254	1.5
61.98699	100.0
62.98400	0.2
67.57790	0.1
71.01256	0.6
72.01624	0.2
72.99188	0.1
73.02831	0.2
83.01260	0.2
85.02834	0.4
89.02323	0.3
93.03371	0.2
95.04931	0.4
96.05261	0.2
96.95877	0.7
101.02342	0.3
107.01289	0.3
109.02856	0.5
121.02857	0.2
123.00793	0.2
123.04414	0.3
125.02342	1.7
125.85648	0.1
126.90289	0.1
134.11017	0.2
135.04466	0.2
137.02335	0.3
139.03917	0.2
149.02365	0.6
150.03117	0.3
151.00279	0.6
151.03752	0.2
153.01881	0.6
161.02356	0.2
161.04454	0.3
163.03918	0.2
165.01805	0.3
175.03993	0.2
177.01845	0.7
177.13211	0.1
178.99738	0.3
179.03383	0.2
180.04063	0.2
181.05019	0.2
181.08578	0.7
182.08969	0.5
183.08987	0.2
183.10391	0.2
189.01874	0.3
190.02672	0.4
195.06526	0.2
199.09703	0.5
200.10094	0.3
203.03506	0.2
205.05038	0.2
209.11774	0.2
217.01421	0.3
217.62614	0.1
223.09767	0.3
224.10124	0.5
225.07791	0.1
225.10149	0.2
226.10727	0.1
237.22884	0.1
243.02922	0.1
272.02939	0.2
275.05533	0.2
285.03983	0.7
289.07333	0.2
299.05539	0.1
299.99365	0.2
300.02881	0.5
301.00043	0.3
301.03375	0.2
303.05066	1.3
324.06396	0.2
341.06720	0.4
342.07144	0.5
387.19949	0.2
394.06586	0.4
487.10461	0.2
488.11047	0.4
504.10425	0.2
567.24756	0.3
568.24573	0.1
598.14771	0.2
630.22217	0.4
631.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	3.4
61.98693	2.3
63.02260	0.9
64.02411	0.8
65.00183	2.5
67.01752	1.8
69.68581	5.1
71.01244	3.0
72.23029	0.7
72.99161	1.0
79.95622	1.0
83.01244	2.6
89.02316	0.8
93.03319	1.4
95.01258	3.0
96.95887	7.0
107.01283	6.5
109.02814	2.5
109.99967	5.7
111.00754	15.8
115.00232	1.6
121.02850	1.9
123.00764	8.2
123.04397	0.9
124.01580	1.0
125.01450	1.4
125.02338	22.9
133.01285	2.7
133.02849	1.6
135.02827	1.0
135.04424	1.6
136.98694	1.3
137.02310	3.2
137.99467	3.2
138.84961	0.7
139.00262	25.4
140.00748	0.7
141.01744	1.0
141.95692	0.9
141.99033	0.9
147.04422	1.0
149.02341	2.3
150.03128	1.4
150.99130	1.4
151.00262	16.1
151.03848	1.5
152.00934	2.5
159.04466	1.1
161.02333	2.9
163.00243	2.9
163.03918	0.8
164.01009	1.6
165.01825	1.2
165.05431	1.5
165.98965	14.1
166.99763	27.8
168.00404	2.3
169.01332	26.3
171.04478	1.1
177.01831	1.9
178.99768	9.9
183.04431	1.1
185.00919	4.0
187.03873	1.9
189.01782	1.7
190.99733	1.1
191.03558	1.1
191.05435	0.9
194.99252	2.1
195.06505	2.1
198.03082	1.1
199.03917	2.9
201.01881	2.7
203.03421	2.1
208.00009	1.3
211.02356	5.7
214.02666	1.3
215.03389	1.4
216.04118	1.0
217.01384	1.2
217.04967	1.2
226.02600	1.2
227.03491	5.9
228.03810	1.2
229.01341	1.4
231.02902	2.3
241.03387	0.8
242.02194	2.2
243.02939	8.2
244.03505	2.0
245.04477	1.2
254.02101	1.3
255.02943	13.1
257.00882	0.8
259.02405	2.4
270.01669	3.9
271.02390	46.9
271.04605	3.8
272.02921	6.5
273.03986	2.8
275.02014	1.0
287.01978	14.9
288.02457	3.0
291.06540	3.0
293.04648	1.6
298.98849	1.5
299.01947	38.4
300.02673	46.9
300.99915	4.9
301.03439	20.9
302.03809	1.5
308.06870	1.9
309.07751	1.5
313.05658	8.7
315.01483	1.4
316.02203	73.7
317.02914	35.4
318.03198	2.2
331.06763	2.7
335.05515	1.6
352.25458	0.9
353.06274	1.3
439.10510	3.3
445.02240	0.8
451.02942	1.1
461.07193	1.3
463.08810	67.0
464.09079	8.4
468.03311	1.4
479.08270	46.0
480.08600	5.9
515.12299	0.9
587.10474	3.9
588.10327	0.9
601.15796	2.2
605.07648	1.0
613.08203	8.4
614.08032	1.3
621.09393	0.8
631.09326	100.0
632.09766	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	629.3539
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.01758	3.9
56.60811	0.4
57.03323	3.7
58.00470	1.7
58.37321	0.3
59.01251	30.4
61.98699	4.1
67.01761	0.3
67.57639	0.4
69.03321	0.8
71.01254	53.9
72.01600	0.9
72.99172	3.2
73.02818	13.1
75.00764	0.7
79.58207	0.3
81.03328	0.5
83.01256	9.3
85.02821	25.0
86.03137	0.9
86.27646	0.4
87.00745	2.2
89.01756	0.7
89.02310	15.1
95.01262	4.7
96.95863	0.7
97.02828	1.8
99.00759	7.5
101.02322	48.9
102.02650	1.0
111.00742	0.4
113.02328	23.5
114.02649	0.4
116.92758	0.8
118.96363	0.4
119.03392	5.6
119.04777	0.3
125.02335	2.5
125.09568	0.4
129.01854	0.8
131.03389	0.6
139.00294	0.4
143.03386	4.0
145.02864	1.9
147.02443	0.4
149.04446	0.7
159.02939	3.5
161.04465	20.8
162.04788	0.8
171.10184	0.8
175.03905	1.7
179.05499	3.5
199.09752	0.8
205.03407	0.6
210.74831	0.4
211.13383	1.1
300.99655	0.5
303.23325	0.5
326.22998	0.4
347.43811	0.4
388.02249	0.5
467.30106	23.3
468.30643	3.4
511.29102	0.5
629.35406	100.0
630.35767	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	629.3532
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.01755	4.1
55.19352	0.2
57.03045	0.3
57.03323	3.5
58.00465	1.6
59.01248	27.2
61.98695	3.2
67.01727	0.3
68.99684	0.7
69.03335	1.5
69.41956	0.7
69.42372	1.1
71.01250	71.5
72.01594	1.1
72.99178	2.8
73.02815	22.8
74.03155	0.5
74.98973	0.3
75.00751	1.1
78.95771	0.3
81.03329	0.6
83.01257	10.5
84.32058	0.2
84.38624	0.2
85.02821	30.7
85.99961	0.5
86.03137	0.6
87.00751	3.6
88.01086	0.3
89.02314	14.1
93.03352	0.2
95.01257	5.0
96.95908	1.5
96.96829	0.3
97.02828	3.2
98.03150	0.2
99.00751	8.4
99.04385	0.4
101.02319	55.7
102.02642	1.3
109.02826	0.5
111.00755	2.0
112.77753	0.2
113.02327	29.0
114.02687	0.9
115.03876	0.5
119.03380	4.9
122.26595	0.2
123.00733	0.4
125.02327	5.0
126.02617	0.3
127.03859	0.3
127.53758	0.3
129.01833	1.7
131.03394	1.1
143.03392	4.3
144.03737	0.3
144.94583	0.3
145.04964	0.4
149.02393	0.3
149.04442	0.6
149.99435	0.3
151.06505	0.2
159.02898	5.7
159.04218	0.4
161.04460	35.5
162.04808	0.9
163.03934	0.4
168.00496	0.3
169.01324	0.6
175.03888	0.7
179.05527	3.6
187.07578	1.4
189.05586	0.3
194.33328	0.2
197.11877	0.2
199.09698	0.5
201.11261	0.3
205.03424	1.2
209.11792	0.6
211.13385	0.3
215.07071	0.7
221.06601	0.8
227.03548	0.3
229.08716	0.3
233.06590	0.6
239.16487	0.3
245.06674	1.2
257.08063	1.6
263.07837	1.8
275.02115	0.3
300.99817	0.8
307.22885	0.3
321.04080	0.2
323.06329	0.3
323.09555	1.2
326.34845	0.2
351.21744	0.6
355.24878	0.4
467.30106	28.7
468.30359	5.2
511.29382	0.6
585.27155	1.2
593.29712	0.4
629.35449	100.0
630.35791	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	629.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.9
58.00473	2.2
59.01249	100.0
60.01597	1.7
61.46170	0.9
61.98692	5.2
65.71339	0.7
67.49824	0.9
71.01256	18.0
71.04919	1.2
71.25957	0.9
72.99179	4.0
73.02819	4.4
75.00741	2.2
83.01237	5.2
83.04890	1.7
85.02827	6.8
86.22045	0.9
87.00745	1.2
87.04388	24.1
89.02313	22.3
89.02841	1.3
93.03342	1.8
93.06964	2.3
95.01260	1.5
96.95838	4.4
97.02882	1.1
97.06432	1.3
99.00745	1.1
99.58698	0.9
101.02320	38.1
107.04939	0.9
108.02050	1.8
109.02837	2.2
109.06471	2.2
113.02328	6.6
119.03385	24.9
121.02864	1.7
121.06477	2.1
123.00803	0.9
123.04414	2.5
123.08041	3.3
125.02348	6.6
125.05979	2.0
137.02319	2.6
137.05974	6.4
137.09550	1.1
139.07535	7.9
139.11172	4.1
143.03392	1.7
149.02364	1.2
150.03116	2.7
151.00258	2.0
151.03839	0.9
153.09146	1.3
155.08105	1.5
161.02357	1.9
161.04495	6.4
161.05791	1.3
163.11191	3.2
165.01859	3.1
165.05516	1.3
165.09117	3.2
167.03377	2.9
169.01291	4.4
177.01874	1.1
179.05591	2.8
179.10710	1.0
181.12312	2.1
182.05743	2.6
183.10201	3.8
187.11110	1.0
189.01863	1.3
191.03593	1.0
191.05531	2.9
193.01241	1.0
195.14052	0.8
197.08124	3.3
201.11252	41.6
202.11588	1.7
205.12257	1.2
209.04536	2.5
215.12822	10.2
217.01338	1.4
223.13335	22.5
224.13675	1.3
225.07813	1.4
225.11281	32.0
226.11581	2.6
227.03603	1.0
227.12851	2.8
229.12297	2.1
233.11739	1.2
235.13257	5.3
237.14943	4.4
239.05705	1.3
243.03017	1.2
243.12329	12.9
247.13408	4.6
248.13884	1.2
255.12384	2.9
261.13309	1.3
263.96680	1.0
265.14456	15.8
266.14603	1.4
271.02457	7.1
290.68555	1.0
299.01904	14.1
299.99036	3.2
300.02560	3.0
300.99963	1.5
303.14554	1.4
307.15506	2.9
308.03311	1.4
314.04318	16.5
315.05063	8.1
341.06683	2.3
403.19931	0.9
459.07156	3.2
465.11917	1.3
477.10339	10.9
478.10535	1.9
567.11505	2.0
569.11133	5.9
611.15808	2.9
629.11572	16.0
629.20117	3.9
629.28827	3.2
630.11816	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	629.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.7
58.00462	2.6
59.01249	100.0
61.98694	2.3
69.25616	3.3
69.26031	4.6
71.01251	18.0
72.99180	2.8
73.02817	2.0
75.00756	1.0
83.01263	5.1
83.04888	0.9
85.02825	6.3
87.04387	25.2
88.93089	0.8
89.02317	22.8
93.06968	1.9
95.01260	1.6
96.95907	2.1
97.06463	2.4
101.02319	31.5
108.02076	2.5
109.02831	2.0
109.06479	4.4
111.08001	1.2
113.02322	7.3
119.03384	25.0
119.04865	1.5
121.06504	2.8
123.04433	1.1
123.08078	2.3
125.02345	5.0
135.02942	0.9
137.02368	1.2
137.05980	8.0
139.07542	6.6
139.11183	3.7
143.03433	0.9
145.02855	0.9
149.04422	0.9
150.03148	0.8
155.08197	1.0
161.02419	0.8
161.04507	4.3
163.11168	3.6
163.13699	0.8
165.01860	2.3
165.09131	2.9
167.03432	1.0
169.01343	5.0
177.01863	1.5
179.05542	2.0
183.10162	3.9
201.11250	37.5
202.11574	1.7
205.12305	1.1
209.04427	1.3
213.09271	1.1
215.12793	9.6
217.01569	0.9
223.13326	23.4
223.15401	1.7
224.13808	1.3
225.11258	35.6
226.11639	1.2
229.12239	2.2
235.13333	3.9
237.14911	4.2
243.02895	0.9
243.12372	10.2
247.13359	6.3
255.12404	3.2
265.14438	14.9
266.14725	1.0
271.02432	10.2
272.02737	1.0
299.01926	15.7
299.99161	4.6
300.02399	1.7
300.99811	2.2
307.15347	2.4
308.03314	1.2
313.05774	1.3
314.04303	15.8
315.05011	9.1
341.06464	1.3
347.50735	1.0
370.69058	0.8
403.36899	0.9
459.07077	5.1
477.10425	10.4
478.10901	1.9
567.11646	1.1
569.10773	5.3
570.11053	1.4
614.65753	0.9
629.11145	20.5
629.19604	1.6
629.29553	1.0
630.11475	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	629.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
57.03323	3.2
58.00478	1.2
59.01248	79.3
60.01577	0.6
60.11002	0.4
61.98696	0.8
65.95040	0.5
68.31892	0.4
68.90558	0.4
69.03356	0.4
69.32411	2.9
69.32841	0.9
71.01254	12.2
71.04898	1.2
72.99170	0.7
73.02819	1.9
75.00750	1.9
77.18066	0.4
81.03346	0.5
83.01278	1.0
83.04883	0.5
85.02814	8.2
85.03288	0.7
87.04387	37.1
88.04729	0.6
88.22400	0.4
89.02316	10.7
93.06971	4.9
95.01292	1.0
95.04888	0.9
96.95900	1.2
97.02836	1.0
97.06472	0.9
98.20521	0.9
99.00713	0.6
101.02319	13.7
101.05956	0.9
103.03918	0.8
105.01809	0.5
105.06950	0.9
107.04917	1.2
109.02831	0.6
109.06477	5.6
110.06836	0.6
111.04415	1.4
111.08022	2.2
113.02324	9.0
119.03391	11.6
119.04910	1.2
121.06454	2.6
121.10122	0.9
123.04416	1.3
123.08044	8.7
125.02305	3.6
125.05987	1.8
127.07542	1.3
131.03432	1.0
135.02904	0.5
135.04459	0.9
135.08081	0.7
137.05981	17.8
138.06299	0.6
139.00233	0.5
139.07544	15.7
139.11195	6.7
140.07877	1.3
143.03406	1.9
149.02397	0.5
149.04445	0.9
149.05978	0.9
153.09157	0.6
155.10666	0.7
157.12292	1.0
161.04468	5.0
163.11180	2.0
165.01866	0.4
165.05502	1.5
169.01337	3.1
177.01929	0.7
179.03450	0.4
179.03999	0.5
179.05534	4.9
179.06989	0.9
179.10692	1.7
181.12167	0.6
183.10182	3.5
184.43004	0.5
189.09064	0.7
191.05504	0.5
197.04376	0.5
197.11777	1.6
201.11252	91.9
202.11601	4.1
207.10205	1.1
211.13313	0.7
215.12828	16.0
216.13097	1.0
225.11266	100.0
226.11601	6.4
227.12799	0.6
237.11215	0.8
243.12337	27.0
244.12793	1.4
255.12332	18.0
256.12772	1.1
267.12344	1.4
273.13446	3.2
285.13391	4.1
297.13422	0.8
301.00000	0.6
303.14471	4.4
341.06680	0.5
363.16568	1.0
385.18594	1.3
459.09204	0.7
465.06442	0.4
569.10754	0.6
629.12122	0.8
629.28064	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	629.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
57.76092	0.4
59.01252	3.0
61.98702	4.5
68.73411	0.4
69.03324	0.4
69.38367	3.3
71.01257	3.3
73.02819	0.6
73.51527	0.4
83.01212	0.5
85.02850	1.0
89.02303	1.2
91.01756	0.8
93.03317	1.5
95.01252	0.6
95.04884	0.6
96.95865	0.8
98.20544	0.6
101.02298	1.4
109.02831	2.0
113.02306	1.0
119.01259	1.1
120.11025	0.5
121.02792	1.3
123.00673	0.4
123.04388	1.2
125.02279	0.7
133.02797	0.4
135.04373	1.0
138.06760	1.2
145.02832	0.4
147.00772	1.7
147.04459	1.0
149.02336	9.3
150.03041	1.0
151.00255	0.5
151.03891	0.9
153.09157	2.9
161.02341	0.5
161.04518	0.5
162.03102	0.5
163.03900	1.6
164.04689	9.6
165.01814	1.0
165.05283	1.3
166.02628	0.5
169.01379	0.4
174.98792	0.8
175.00282	13.9
176.00693	0.5
177.01834	1.7
179.07050	1.7
181.04944	0.8
182.15991	0.4
183.10133	0.8
187.04121	0.4
189.01840	2.1
190.02643	45.7
191.03082	3.7
202.84119	0.5
205.04993	51.2
206.05350	3.3
207.13747	0.5
208.03719	0.6
209.04422	1.0
211.05997	0.4
217.01353	1.4
219.02873	1.0
220.96376	0.4
223.06053	15.1
224.06465	1.0
225.14929	1.7
242.02028	1.0
243.02847	0.5
251.09189	0.6
265.07217	0.4
269.00803	0.5
271.02539	0.6
274.01196	0.9
292.99222	0.5
299.98978	0.9
300.02396	0.6
301.03555	0.7
311.07712	0.6
341.06564	6.0
342.06998	0.6
393.06107	3.0
435.10895	1.8
451.10324	0.8
487.10193	4.7
488.10855	1.0
593.25989	100.0
594.26337	17.5
597.14447	1.0
629.23273	0.8
629.31732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.188
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
57.02516	0.5
57.03289	0.9
59.01247	7.2
61.98696	13.0
65.00154	1.1
69.00439	0.6
69.31000	1.2
69.31403	4.0
71.01251	5.3
73.02776	1.9
74.98930	1.0
78.95730	1.8
81.03305	0.9
83.01214	1.8
85.02778	2.7
87.00730	0.8
88.98639	1.2
89.02298	3.2
93.03316	1.0
94.02832	0.6
95.01183	1.5
95.04842	1.1
96.95876	7.2
96.96824	1.0
97.02790	0.9
98.19809	1.1
99.04370	0.9
101.02316	2.8
107.01281	3.9
108.01989	1.6
109.02777	1.6
111.00744	0.6
113.02262	1.9
119.03361	0.8
119.04884	0.7
121.02780	1.9
122.05972	1.0
123.00717	2.4
123.04343	1.7
123.08012	1.1
125.01588	0.6
125.02323	6.1
125.05904	0.6
131.03293	1.0
135.00726	1.2
135.04329	0.8
136.07568	1.4
136.98978	0.8
137.02350	0.7
139.00212	0.8
139.03877	0.8
145.02773	2.7
147.04352	1.0
148.01486	1.0
149.05904	0.6
151.00252	9.1
151.03830	1.1
152.00945	0.7
152.06918	1.1
153.01744	0.7
158.03574	0.6
159.04385	1.0
161.02313	1.3
161.04465	0.8
163.00221	2.6
163.03819	2.4
163.11082	0.7
164.01025	1.1
165.01819	0.9
165.05330	0.7
165.09068	0.8
168.24144	0.5
169.01283	4.9
170.01633	0.5
171.10133	3.7
173.02290	1.7
174.03078	1.4
175.03906	3.6
176.72168	0.7
178.99799	4.9
179.03419	1.1
183.04427	0.8
183.10153	0.9
185.02258	1.0
185.11763	1.4
187.03900	1.2
187.07501	2.6
188.04494	0.9
189.01884	1.2
190.02545	1.2
190.55634	0.6
191.05550	0.6
198.03120	0.7
199.03865	1.2
199.13321	0.9
201.01810	2.0
201.11150	1.0
203.03374	2.7
209.11713	2.2
209.15273	0.8
211.03786	0.8
212.04601	0.6
215.03468	0.8
215.06981	0.6
216.04089	0.9
221.11713	2.1
223.13254	1.4
225.11281	0.8
226.02644	3.6
227.03424	5.5
228.04128	0.6
229.01381	4.1
231.02852	1.0
239.12634	0.8
243.02953	17.2
244.03354	1.1
245.04530	0.7
249.03955	1.6
254.02148	4.0
255.02950	24.4
256.03299	2.1
257.00879	1.9
257.08090	2.1
258.01578	0.9
271.02460	78.2
272.02917	9.9
273.04062	1.4
275.01978	10.4
275.06885	0.6
276.02310	1.1
279.06528	0.9
283.02371	1.2
283.99524	1.0
293.08362	0.6
299.01920	1.9
300.02716	100.0
300.99844	24.5
301.03424	39.2
301.06873	0.5
302.00159	2.3
302.03806	3.0
313.05746	1.1
321.07587	7.1
322.08078	0.7
324.02710	0.6
332.80768	0.7
335.22244	0.8
359.45490	0.6
375.21820	1.3
386.14359	0.6
423.05087	4.6
449.06360	1.1
463.08798	58.5
464.09167	6.5
467.17261	1.8
585.27374	2.0
593.30243	0.8
597.23505	1.0
611.30707	1.2
629.18774	57.3
629.30920	5.5
630.18927	9.5
630.28729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1873
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
59.01253	1.1
61.98705	2.3
63.02277	0.5
63.72109	0.3
65.00181	1.0
69.42625	2.0
69.43058	1.3
71.01268	0.8
83.01272	0.7
95.01287	0.4
96.95895	1.1
98.20545	0.6
105.61855	0.4
107.01275	2.1
108.02061	1.9
109.02823	1.0
121.02851	1.1
123.00726	0.5
125.02291	0.9
135.00839	0.5
137.02319	0.5
148.01578	1.1
151.00266	6.1
163.00273	1.4
164.01042	0.5
169.01384	0.9
178.99788	4.0
187.03871	0.7
190.02670	0.6
191.05687	0.4
192.00545	0.5
199.03903	0.9
201.01752	0.4
201.11270	1.4
205.05054	0.5
209.11760	1.3
211.03908	0.7
215.03477	0.7
226.02670	2.6
227.03430	2.9
228.03995	0.5
243.02940	11.1
244.03427	1.1
245.04608	0.8
254.02135	3.9
255.02951	22.4
256.03342	1.5
271.02475	57.3
272.02966	6.7
283.02417	0.7
299.02005	2.7
300.02734	100.0
301.03433	29.8
302.04077	1.9
314.04315	1.2
315.05069	1.1
343.04517	0.5
391.08954	0.4
463.08810	12.2
464.09253	1.5
477.10422	1.0
567.11377	1.7
593.26355	0.9
629.18732	68.3
630.19116	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	629.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75266	0.5
51.37740	0.4
57.03333	0.9
59.01251	22.7
59.54394	0.4
61.98379	0.8
61.98700	14.8
63.02265	0.5
63.99128	1.6
65.00200	1.4
69.21291	2.3
69.21714	2.2
71.01254	6.9
72.13320	0.4
72.99172	0.5
73.02821	1.3
80.02541	1.3
81.03316	0.4
83.01261	1.5
85.02818	4.4
87.00745	0.8
88.82732	0.4
89.02330	2.9
93.03317	0.9
95.01286	0.7
95.04900	33.9
96.05224	0.8
96.95907	2.0
97.02839	0.7
99.00752	0.5
99.04389	0.5
101.02322	3.8
107.01266	2.9
108.02061	1.7
109.02807	2.4
111.00787	0.5
111.04391	0.6
113.02361	2.8
119.01235	0.5
119.03442	1.1
119.08542	2.3
121.02858	2.1
122.03636	0.9
123.00788	0.5
123.04417	2.3
124.01574	0.4
125.02340	2.0
135.00758	0.8
135.04413	0.7
137.02367	0.8
137.09595	1.0
138.01801	0.4
138.06749	2.3
139.00262	0.8
143.03484	0.5
147.04367	0.7
148.01552	1.2
149.02356	1.5
150.03142	3.5
151.00285	11.3
151.01518	0.6
153.01842	1.0
153.09106	7.5
155.10675	1.5
159.02879	0.5
159.04445	0.5
160.01530	0.5
161.02333	1.0
161.04474	5.3
161.05710	0.7
163.00246	2.7
163.03908	0.7
163.07568	1.7
164.00969	0.6
165.01836	0.8
165.05470	3.7
166.02611	1.0
169.01350	1.2
173.02345	0.7
174.03157	0.6
175.03929	0.6
176.19905	0.4
177.01872	0.5
178.99782	5.3
179.03290	0.6
179.05515	1.1
180.04190	0.5
181.05275	2.7
181.08620	72.3
182.03606	0.5
182.08961	2.4
183.04355	0.5
185.05965	0.5
187.03918	0.6
188.04707	0.6
190.02675	0.9
190.99643	0.7
191.03357	0.9
191.05638	0.6
193.01314	0.4
195.06587	1.4
198.03134	0.6
199.03937	1.8
199.09714	0.9
201.01997	0.8
202.02289	0.5
203.03410	1.2
205.05125	0.5
211.03917	1.8
215.03424	1.2
216.04254	0.6
218.05945	0.5
225.14906	11.0
226.02684	4.7
226.15300	0.5
227.03462	7.5
228.03941	0.6
229.01492	0.5
229.05009	1.3
233.08167	1.0
236.06824	0.5
239.03435	0.5
242.02107	0.5
243.02969	19.9
244.03281	1.2
245.04390	1.5
251.09204	1.5
254.02164	5.6
255.02971	28.4
256.03302	2.8
269.64297	0.5
271.02469	87.5
272.02911	9.1
283.02441	1.5
284.03253	4.2
285.04044	4.3
299.02057	4.0
300.02737	100.0
301.03445	45.7
302.03973	2.5
314.04382	0.9
315.05060	0.9
324.02939	0.9
325.03412	0.6
373.13367	0.5
387.20279	7.8
409.18848	0.7
433.15094	1.3
447.09000	0.6
463.08820	9.2
464.09064	0.8
477.10257	2.1
519.12115	0.7
567.11334	1.0
593.25745	0.5
629.18683	87.0
630.19098	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	629.1873
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
51.25294	0.6
51.72118	0.7
57.35025	0.8
59.01226	3.1
61.98703	5.6
69.64221	1.2
69.64642	3.2
71.01231	1.5
83.01217	1.0
85.02794	0.7
89.02298	1.5
95.04907	3.2
96.95885	2.0
97.65335	0.7
98.20585	0.7
107.01215	1.9
108.02029	1.7
109.02810	2.6
112.28384	0.7
113.02277	0.8
121.02795	1.8
122.03596	0.7
123.04366	1.1
125.02293	0.9
128.40733	0.7
133.02832	0.7
135.04373	1.1
137.02338	1.3
145.02811	0.7
146.91763	0.8
148.01566	1.5
150.03094	3.4
151.00266	8.5
151.03876	1.1
161.02278	1.5
163.00238	1.7
164.38289	0.6
165.01843	1.2
165.05450	2.7
174.03079	1.8
178.99849	4.4
179.05403	1.0
179.20567	0.7
181.04956	2.1
181.08569	5.4
182.08780	0.7
187.03911	0.7
189.01788	1.2
190.02486	1.1
191.05394	1.0
195.06433	0.9
199.03740	1.2
201.11121	0.7
203.03357	0.9
211.03975	0.9
216.04240	0.7
226.02640	3.0
227.03464	3.3
243.02942	14.1
245.04523	0.9
251.09163	1.1
254.02127	3.1
255.00261	1.1
255.02962	22.1
256.03287	1.4
271.02466	65.0
272.02921	6.1
273.03824	1.2
283.02451	1.2
298.98416	1.0
299.01947	1.6
299.99170	9.2
300.02695	100.0
300.99796	4.7
301.03339	28.5
302.03680	1.8
315.05350	1.5
341.06494	1.7
373.12988	1.7
393.05948	2.1
432.14255	0.8
433.14841	1.2
434.15121	0.7
463.02872	1.2
463.08871	18.5
464.08942	2.2
487.10312	3.9
488.11020	0.8
503.09879	2.0
597.13873	1.6
629.18713	93.2
630.18988	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	629.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02516	0.5
57.03289	0.9
59.01247	7.2
61.98696	13.0
65.00154	1.1
69.00439	0.6
69.31000	1.2
69.31403	4.0
71.01251	5.3
73.02776	1.9
74.98930	1.0
78.95730	1.8
81.03305	0.9
83.01214	1.8
85.02778	2.7
87.00730	0.8
88.98639	1.2
89.02298	3.2
93.03316	1.0
94.02832	0.6
95.01183	1.5
95.04842	1.1
96.95876	7.2
96.96824	1.0
97.02790	0.9
98.19809	1.1
99.04370	0.9
101.02316	2.8
107.01281	3.9
108.01989	1.6
109.02777	1.6
111.00744	0.6
113.02262	1.9
119.03361	0.8
119.04884	0.7
121.02780	1.9
122.05972	1.0
123.00717	2.4
123.04343	1.7
123.08012	1.1
125.01588	0.6
125.02323	6.1
125.05904	0.6
131.03293	1.0
135.00726	1.2
135.04329	0.8
136.07568	1.4
136.98978	0.8
137.02350	0.7
139.00212	0.8
139.03877	0.8
145.02773	2.7
147.04352	1.0
148.01486	1.0
149.05904	0.6
151.00252	9.1
151.03830	1.1
152.00945	0.7
152.06918	1.1
153.01744	0.7
158.03574	0.6
159.04385	1.0
161.02313	1.3
161.04465	0.8
163.00221	2.6
163.03819	2.4
163.11082	0.7
164.01025	1.1
165.01819	0.9
165.05330	0.7
165.09068	0.8
168.24144	0.5
169.01283	4.9
170.01633	0.5
171.10133	3.7
173.02290	1.7
174.03078	1.4
175.03906	3.6
176.72168	0.7
178.99799	4.9
179.03419	1.1
183.04427	0.8
183.10153	0.9
185.02258	1.0
185.11763	1.4
187.03900	1.2
187.07501	2.6
188.04494	0.9
189.01884	1.2
190.02545	1.2
190.55634	0.6
191.05550	0.6
198.03120	0.7
199.03865	1.2
199.13321	0.9
201.01810	2.0
201.11150	1.0
203.03374	2.7
209.11713	2.2
209.15273	0.8
211.03786	0.8
212.04601	0.6
215.03468	0.8
215.06981	0.6
216.04089	0.9
221.11713	2.1
223.13254	1.4
225.11281	0.8
226.02644	3.6
227.03424	5.5
228.04128	0.6
229.01381	4.1
231.02852	1.0
239.12634	0.8
243.02953	17.2
244.03354	1.1
245.04530	0.7
249.03955	1.6
254.02148	4.0
255.02950	24.4
256.03299	2.1
257.00879	1.9
257.08090	2.1
258.01578	0.9
271.02460	78.2
272.02917	9.9
273.04062	1.4
275.01978	10.4
275.06885	0.6
276.02310	1.1
279.06528	0.9
283.02371	1.2
283.99524	1.0
293.08362	0.6
299.01920	1.9
300.02716	100.0
300.99844	24.5
301.03424	39.2
301.06873	0.5
302.00159	2.3
302.03806	3.0
313.05746	1.1
321.07587	7.1
322.08078	0.7
324.02710	0.6
332.80768	0.7
335.22244	0.8
359.45490	0.6
375.21820	1.3
386.14359	0.6
423.05087	4.6
449.06360	1.1
463.08798	58.5
464.09167	6.5
467.17261	1.8
585.27374	2.0
593.30243	0.8
597.23505	1.0
611.30707	1.2
629.18774	57.3
629.30920	5.5
630.18927	9.5
630.28729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50016	0.5
54.92088	0.6
55.01761	0.6
59.01242	6.7
61.98681	2.3
63.02261	0.7
65.00179	1.3
71.01249	2.5
73.02812	2.2
78.88182	0.6
83.01260	2.7
85.02824	1.1
88.98705	0.6
92.44657	0.5
96.95883	3.8
98.19734	1.0
101.02338	1.0
101.93111	0.7
107.01289	2.2
108.02058	2.1
109.02837	1.5
121.02842	4.0
123.04360	0.8
125.02316	2.0
127.23425	0.7
131.04997	0.6
137.02299	1.7
139.00262	1.0
147.04367	0.9
148.01569	1.7
150.02969	1.4
151.00293	11.8
152.00858	0.6
153.05496	1.4
161.02371	1.3
163.00345	3.1
164.01027	1.4
164.12723	0.6
165.01799	0.9
165.05406	1.0
166.02623	0.8
167.03502	0.6
169.01335	2.0
170.82388	0.6
174.03180	1.6
175.03894	1.3
177.01761	0.6
177.23055	0.6
178.99768	4.8
179.03589	0.9
181.05125	0.8
181.08647	1.3
187.03995	0.6
191.03128	0.6
191.05502	1.4
193.01326	0.9
197.02744	1.0
197.04398	5.4
198.03133	0.8
199.03841	1.6
203.03595	1.3
205.05017	0.8
209.11748	0.8
211.03972	1.4
215.03470	1.0
216.04228	1.1
226.02675	5.8
227.03436	4.3
227.12784	1.3
229.05058	0.7
229.89801	0.7
233.08141	1.0
243.02950	18.8
244.03477	1.5
245.04500	0.8
254.02238	4.5
255.02960	23.1
256.03323	2.3
271.02463	85.2
272.02911	8.7
273.03879	1.4
283.02432	1.2
287.15015	2.1
299.01868	1.8
300.02725	100.0
301.03424	38.3
302.03848	2.4
315.05042	1.4
431.19147	1.4
456.22552	0.6
463.08817	11.3
464.09039	1.6
563.53955	0.7
629.18695	90.7
630.19019	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	629.1146
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.94318	0.7
53.07633	0.7
57.03285	0.9
59.01249	5.1
59.84277	0.7
61.98718	3.4
65.00197	1.9
65.05360	0.6
66.38747	0.7
67.60092	0.6
69.48310	1.4
69.48699	5.0
71.01254	3.5
71.01576	0.7
72.99162	1.4
73.02813	2.8
80.91548	2.5
85.02805	2.1
87.25600	0.7
89.02301	1.7
93.92146	0.6
95.01227	1.1
96.95863	1.6
97.02814	1.9
101.02303	1.7
107.01281	4.3
108.02042	1.5
109.02840	3.9
111.00765	1.4
113.02290	1.4
119.04878	0.9
121.02856	4.3
121.03565	0.6
123.00747	3.1
123.04395	1.1
124.01514	1.2
125.02334	28.2
126.02677	0.8
133.02817	0.9
135.04381	1.1
137.02293	1.5
139.00226	1.2
139.03922	0.9
140.01007	0.8
141.01790	0.9
145.02876	1.7
149.02274	1.7
150.03119	0.8
151.00244	3.1
151.03967	0.9
153.01749	1.1
161.02312	2.2
163.03905	2.2
165.01846	14.2
165.05367	1.0
167.03380	1.2
168.00497	1.9
169.01335	29.5
169.02798	1.4
170.01634	0.7
171.04433	0.7
175.03864	1.5
177.01799	1.4
189.01901	1.2
190.02539	1.1
191.03419	1.6
191.05426	1.0
193.01300	2.2
199.03949	1.2
199.09564	1.3
201.11195	1.2
205.05049	0.9
205.12201	0.7
211.02438	3.8
215.03435	1.7
223.06041	0.7
227.03465	1.9
228.04083	1.0
241.03377	1.4
243.03024	4.1
243.12274	2.7
254.02211	0.9
255.02974	1.9
256.03503	1.2
257.04456	0.8
269.04486	1.7
271.02438	43.0
272.02780	3.3
285.04056	1.6
287.05685	0.9
299.01953	71.9
299.99103	1.8
300.02390	8.8
300.99728	1.2
301.02942	1.0
313.05731	5.0
314.04306	88.5
315.05029	39.0
316.05399	2.2
331.06534	1.1
385.18530	1.1
435.09592	0.8
467.10229	2.2
477.10355	66.8
478.10806	6.7
569.10864	1.9
629.11432	100.0
630.11774	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	629.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.4
61.98690	2.5
65.00185	1.1
71.01251	1.3
71.30695	1.2
81.03335	1.0
83.01251	2.2
87.00732	1.0
88.98670	1.7
96.95887	1.1
106.68887	0.7
107.01260	6.7
108.02034	2.1
109.02812	3.5
111.55297	0.8
121.02838	3.3
123.00768	2.3
124.01521	2.7
125.02341	6.6
135.00775	1.3
135.04381	1.5
137.02319	1.9
139.03883	3.4
143.52504	0.9
148.01607	1.9
149.02219	0.8
151.00278	13.4
153.01822	1.2
159.04323	0.8
161.02309	1.4
163.00264	3.6
164.01054	2.0
165.01819	1.0
168.00510	2.5
169.01314	8.7
173.05930	0.9
177.01807	2.5
178.02773	1.1
178.99811	6.2
179.03426	1.0
183.02934	6.9
187.03870	1.3
189.01846	0.9
190.02711	1.3
191.05530	1.1
192.00435	0.9
199.03810	1.6
211.04033	1.4
211.05923	1.4
215.03458	1.2
217.01283	0.9
219.02856	1.0
226.02586	2.0
227.03424	4.5
243.02950	12.4
244.03389	1.9
245.04437	1.0
254.02103	2.3
255.00270	1.5
255.02948	30.1
256.03247	2.7
256.83011	0.8
271.02454	64.9
272.02960	7.6
273.03827	1.8
283.02435	4.0
299.01907	3.7
300.02716	100.0
301.00049	1.6
301.03394	38.5
302.03903	2.4
313.05609	2.4
314.04248	1.2
327.07089	1.3
341.06757	1.3
428.70432	0.8
463.08820	35.8
464.09192	3.9
539.21344	3.7
629.11389	89.9
630.11719	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	628.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95988	0.1
53.68903	0.1
59.01238	0.2
61.98701	100.0
62.59905	0.1
62.98397	0.2
70.29138	0.1
89.02379	0.1
96.95897	0.2
124.01550	0.3
125.02341	0.3
139.03922	0.2
149.02347	0.1
152.01060	1.4
165.01894	0.2
256.07388	0.3
271.09744	6.6
272.10162	0.4
314.24014	0.1
328.91208	0.1
341.42090	0.1
385.54449	0.1
466.91080	0.1
565.19574	0.5
629.32092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
59.01249	2.8
61.98701	6.1
63.89699	0.2
66.49680	0.2
71.01258	2.4
72.99181	0.4
73.02819	0.8
74.98980	0.4
75.00745	0.4
78.95791	0.5
81.54223	0.2
82.95843	0.2
83.01230	0.4
85.02835	0.9
87.00739	0.5
88.98682	0.5
89.01804	0.2
89.02325	1.0
89.92353	0.2
93.03314	0.3
95.01291	0.4
95.04903	0.3
96.95893	2.6
96.96832	0.3
99.04399	0.4
101.02315	1.3
108.02060	1.2
109.02821	1.0
113.02337	0.8
120.99557	0.4
121.02841	2.1
123.00755	0.6
123.04399	1.0
124.01567	0.3
125.02326	2.0
131.03355	0.4
134.03630	0.5
135.04376	0.6
136.99130	0.4
137.02348	0.6
137.09592	0.3
139.03868	0.3
145.02899	0.5
146.03682	0.5
146.49939	0.3
149.02347	0.4
149.04410	0.4
149.06012	1.0
151.00301	1.0
151.03894	0.3
152.01013	0.5
153.01836	0.4
153.05441	1.1
160.01459	0.4
161.02330	0.4
161.04489	0.4
161.06003	0.4
163.00273	0.4
164.04619	0.6
165.01843	0.5
169.01332	1.2
171.10176	0.6
173.04408	0.4
174.03094	0.4
175.03857	1.2
177.01900	0.4
179.03488	0.3
179.07079	0.8
183.10179	0.4
187.03922	0.4
190.02576	0.3
199.13234	0.4
201.11275	0.3
205.05014	0.4
225.11407	0.2
238.07964	0.3
241.94455	0.2
243.03090	0.5
252.83359	0.3
255.02937	1.0
265.05307	0.3
271.02490	2.5
271.09677	0.4
275.02042	0.5
289.07135	0.3
295.07635	0.4
299.99442	0.5
300.02676	2.9
300.99811	1.4
301.03455	1.6
301.06882	0.3
302.00131	0.5
305.21222	0.4
311.07156	0.4
323.07031	0.9
335.07117	0.5
339.06619	2.4
350.05988	0.7
351.06583	1.9
366.05530	0.8
367.06076	7.7
368.06534	0.8
378.05219	0.9
379.06107	9.8
380.06387	1.6
394.04935	1.0
395.05539	8.7
396.05920	1.1
406.04645	0.4
419.14905	0.6
422.04306	6.3
423.05078	100.0
424.05429	13.4
463.08813	1.5
465.06750	0.7
466.06714	0.3
628.30890	0.8
629.04742	0.8
629.17963	1.6
629.31842	3.3
630.18292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03323	1.9
58.00467	0.6
59.01248	41.3
60.01591	0.4
61.98701	4.4
67.01746	0.4
68.99695	0.3
69.03334	0.4
71.00764	0.5
71.01251	6.6
72.99174	0.8
73.02826	0.8
75.00752	0.3
78.16252	0.2
79.05401	0.6
80.02540	1.9
81.03349	0.7
82.20155	0.2
83.01231	1.4
83.04900	0.6
85.02815	4.6
86.03624	0.9
87.00746	0.3
87.04409	0.3
88.98699	0.4
89.02316	5.5
89.02853	0.5
93.03329	1.7
95.01271	0.4
95.04899	45.6
96.05227	1.2
96.95889	0.7
97.02821	0.3
97.06465	0.5
99.00760	0.3
101.02321	8.2
101.05986	0.8
103.03897	0.3
103.11256	0.2
107.04910	0.3
108.02084	1.2
109.02839	1.1
109.06474	0.6
111.04351	0.3
111.08080	0.4
113.02350	2.2
119.03391	4.2
119.04908	0.4
119.08552	3.2
121.02802	0.3
121.06480	1.4
121.07229	0.2
123.04411	2.6
123.08029	0.4
125.02331	0.8
135.04387	0.8
135.08058	0.3
137.02328	0.6
137.05981	2.7
137.09613	1.1
139.03941	0.7
139.07579	0.4
143.03352	0.3
145.02806	0.5
149.02344	0.3
149.05981	0.7
150.03111	0.6
151.00198	0.3
151.03931	0.7
155.10661	2.4
161.02367	0.3
161.04466	0.9
161.09535	0.6
162.03128	0.3
163.03920	1.3
163.07562	2.0
163.11186	0.7
165.01836	0.4
165.05455	1.1
165.09122	0.8
166.02628	0.3
167.03450	0.4
169.01318	0.8
175.03862	0.3
177.01892	0.3
179.05524	0.9
179.07117	0.6
179.10654	0.8
180.07907	0.2
181.08618	100.0
181.49605	0.3
182.08965	6.3
183.10117	0.3
187.11064	0.3
188.86763	0.2
189.01793	0.3
190.02670	0.4
195.06554	0.9
195.10214	0.3
197.11815	0.3
199.09698	6.8
205.04919	0.4
205.08638	0.3
205.12260	0.4
209.11790	0.5
217.01207	0.5
223.09723	8.9
223.13248	5.0
224.10069	0.7
224.13580	0.3
229.12215	0.4
235.09666	0.4
235.13359	0.7
237.14957	1.0
241.10825	0.8
247.13319	1.0
253.10808	1.6
265.14429	2.6
271.02457	0.4
271.11737	0.3
283.11777	1.3
300.02719	0.7
301.00082	0.4
301.03375	0.4
301.12958	0.4
307.15457	0.7
309.03781	0.2
313.03372	0.4
325.03302	0.6
341.06711	0.6
393.06088	0.4
503.09836	0.3
623.19629	0.3
627.14728	1.3
627.26263	1.1
628.15149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01250	55.2
60.01589	1.0
61.01827	0.6
61.98689	1.4
69.23515	1.1
69.23920	5.0
71.01260	5.9
73.02820	0.9
75.00741	0.8
80.02565	1.1
85.02821	9.6
86.03600	2.0
87.04379	1.0
89.02317	5.7
93.03321	3.2
95.04900	28.1
101.02322	10.7
101.05966	1.6
101.36916	0.6
103.03874	2.2
105.84645	0.6
107.04913	2.1
109.02869	0.7
109.06488	0.8
111.04389	1.2
113.02325	4.1
119.03396	3.2
119.04926	0.8
119.08579	1.9
120.38925	0.7
121.02908	0.8
121.06477	4.7
122.03653	0.7
123.04408	1.7
123.08022	1.9
135.04434	1.5
137.05980	13.5
137.09645	3.0
138.06250	0.7
139.03911	3.3
139.07520	0.9
142.06239	1.1
147.04385	1.0
149.06004	1.5
149.09590	1.0
150.03101	0.8
151.03914	1.9
151.07532	0.6
155.10669	13.5
156.11067	0.8
161.04495	3.3
161.09625	2.2
163.03854	4.5
163.07553	1.9
164.04688	0.8
165.05479	2.3
179.05518	5.0
179.07040	2.2
179.10725	3.0
181.08617	100.0
182.08963	5.1
190.02605	1.6
190.06233	0.8
191.10657	0.9
193.63707	0.7
197.11742	1.2
199.09689	57.8
200.10016	3.0
205.05022	1.3
205.08620	2.5
209.11810	3.9
223.09702	76.8
224.10036	4.9
235.09595	2.9
241.10815	7.6
253.10786	20.4
254.11064	1.5
265.10709	1.5
271.02469	0.8
271.11942	3.2
283.11877	8.2
300.02655	1.7
301.03458	1.0
301.12900	3.5
322.30197	0.9
343.13568	0.7
354.70987	0.7
361.15256	1.3
403.10757	0.6
438.74860	0.6
515.07373	0.7
591.24457	3.1
623.40021	0.6
627.16431	1.0
627.26379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.9
61.98695	8.4
69.29498	1.2
70.20041	1.2
71.01263	3.0
71.51263	1.2
78.95759	1.4
79.95617	4.6
80.04935	2.8
80.96391	1.4
85.02831	2.4
94.06508	1.6
96.95886	2.8
101.02307	1.5
105.08127	1.2
106.06497	1.9
107.03676	2.6
108.08082	5.0
110.99945	1.1
120.08082	20.3
121.05222	3.5
122.06008	30.7
123.06335	1.6
125.02330	2.6
132.04449	2.0
134.05972	1.4
136.07578	100.0
137.04724	1.1
137.07936	3.4
148.07454	1.2
152.03522	1.3
153.04211	3.4
153.05496	1.2
160.03973	1.4
160.66490	1.3
164.07086	2.4
174.05554	1.8
175.03896	1.8
176.03496	1.1
190.05048	2.8
211.13272	1.1
223.08736	8.3
225.10382	1.7
229.13423	4.9
235.12268	2.0
236.09474	2.2
237.10286	7.4
238.11118	4.6
239.11769	7.1
241.13370	1.8
249.06702	1.8
250.07446	1.3
251.08182	2.8
251.11894	4.5
262.07581	1.3
263.08142	2.1
264.09048	6.6
265.09775	6.1
269.07986	2.0
271.10831	3.3
276.08963	1.9
277.09857	2.7
278.10550	4.6
279.11371	26.6
280.11987	5.3
281.12775	2.9
291.11313	6.6
292.11926	2.4
293.12762	2.0
295.14307	2.3
297.12469	2.1
307.10889	2.6
309.12357	2.9
323.10284	3.2
333.20718	2.8
339.13736	1.8
340.08554	1.2
360.21008	1.5
372.17288	3.3
386.18875	10.1
387.19418	3.0
388.20032	2.0
400.16037	2.7
400.20724	2.8
401.21155	2.8
402.18027	1.5
414.18246	2.2
427.19000	1.8
428.19772	15.2
429.20294	3.8
432.19156	6.1
433.20108	1.6
445.20145	2.8
454.17978	1.4
455.18414	1.8
465.36093	1.8
472.18777	17.0
473.19452	22.0
474.19699	3.4
504.21420	17.4
505.21881	2.2
509.25565	1.7
551.26587	27.7
552.26630	5.8
595.25586	89.8
596.25909	18.7
609.33197	2.8
627.16571	1.8
627.27502	17.3
628.28082	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	627.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01244	9.7
61.98690	0.8
69.10899	0.9
69.54526	5.6
71.01247	2.8
75.00744	1.6
83.01245	1.2
85.02808	1.3
87.00742	1.0
89.02317	1.8
93.03355	1.3
95.04922	0.9
96.95883	1.1
101.02345	0.9
107.01283	1.3
108.02054	9.8
109.02844	10.2
111.16223	0.9
113.02325	0.9
117.03352	0.8
119.04929	1.2
121.02849	1.5
122.03607	1.4
123.04412	12.6
125.02305	7.2
132.02057	0.9
133.02873	5.7
134.03589	1.8
135.04413	3.2
137.02342	3.3
144.44527	0.8
145.02849	11.4
147.04437	1.9
149.02333	2.8
150.03114	4.8
151.00241	5.1
151.03893	16.5
159.04451	1.7
160.01538	2.2
161.02356	5.4
161.08087	1.9
162.03072	1.2
163.00307	1.4
163.03897	2.6
165.01851	1.0
165.05478	1.3
169.01337	3.5
174.03255	0.8
175.03889	5.2
176.01057	1.8
176.04701	1.6
177.01837	48.5
178.02219	2.1
178.99692	0.9
179.03413	0.8
185.06055	1.5
185.44485	1.1
187.03909	2.2
188.04694	1.3
189.00113	1.0
189.01846	19.0
189.05467	1.1
190.02567	4.1
191.03499	3.8
191.05272	1.0
191.07024	1.6
193.04999	1.1
195.06523	1.0
197.05893	1.0
198.06824	1.3
199.03995	1.5
199.07684	0.8
200.04485	0.8
201.01913	3.7
203.03474	1.8
203.07216	0.9
209.06064	1.5
209.08096	3.1
211.03952	1.1
213.05542	1.4
214.02722	0.8
214.06302	0.8
215.03477	1.0
216.00601	2.6
216.04198	1.9
217.01347	15.7
217.04727	1.2
218.02032	1.7
219.02927	5.9
225.05565	1.3
227.03297	1.9
227.07051	1.2
228.04170	1.1
231.02937	3.4
231.06657	0.9
232.03534	1.1
234.06812	1.0
241.05052	3.8
242.05788	3.6
243.03056	4.3
244.03712	5.4
252.04007	1.1
253.04991	3.3
254.05833	1.5
257.04495	2.3
258.05182	1.8
259.06073	17.8
260.06375	1.2
267.03015	1.4
269.04471	2.8
270.05295	10.0
271.02631	1.0
271.06033	5.3
272.06506	0.9
273.07718	1.8
275.02042	1.4
279.06479	2.4
281.04456	3.7
282.05057	1.0
283.02393	1.3
284.03223	1.2
285.04034	5.5
285.07678	3.3
286.04730	3.1
289.07178	1.9
296.06720	0.9
297.03928	2.8
297.07755	3.0
298.04883	5.3
299.05301	1.5
300.99875	3.2
301.07150	100.0
302.07452	7.9
303.05060	1.7
308.03369	1.1
313.07129	70.2
314.07471	6.3
322.04608	1.4
323.05585	30.0
323.09384	1.4
324.05981	3.6
325.07138	3.6
337.07028	6.5
341.06635	37.6
342.06927	3.3
355.08414	3.6
385.11392	1.0
447.10852	42.2
448.11240	6.0
465.11850	44.1
466.12042	6.1
475.14017	1.4
503.11917	3.9
505.13333	2.6
627.17316	5.5
628.17230	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	627.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55231	0.7
59.01267	1.2
67.01760	1.4
69.03363	1.8
70.98195	2.0
71.01258	6.3
73.02835	1.4
73.15313	0.8
75.00736	0.8
81.03339	2.2
83.01262	1.1
85.02853	2.6
87.00766	0.9
89.02344	0.9
93.03382	1.5
95.01287	3.4
99.00810	0.7
101.02359	2.3
107.01280	1.2
108.02050	72.2
109.02851	30.9
110.03168	1.4
111.00787	2.2
113.02395	2.1
121.02873	3.4
123.00759	5.5
123.04403	8.5
125.02314	5.0
135.00792	2.7
135.02972	1.2
135.04405	1.2
137.02336	1.2
149.02382	2.8
151.00273	4.3
151.03928	2.2
152.01054	81.7
153.01848	38.7
154.02264	1.4
161.02438	1.2
163.03929	2.6
165.01848	1.2
166.02638	2.2
167.03404	29.2
168.00600	0.7
168.03748	1.0
169.01381	2.4
171.84766	0.9
177.01828	1.4
179.03391	1.6
187.00317	0.7
191.05557	1.2
195.02948	2.3
209.04619	0.9
229.01596	1.0
237.23439	0.8
249.03952	1.8
275.02005	1.9
283.10092	0.9
296.05392	2.3
297.06122	9.1
300.99939	2.2
311.07654	11.3
315.07227	6.4
347.18124	0.8
398.70044	0.8
421.11325	3.3
433.07776	2.9
461.10782	1.2
465.10358	100.0
466.10715	10.1
489.10992	0.9
507.11423	2.8
583.16302	1.3
627.15643	43.3
628.15955	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	627.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83183	0.3
57.01288	0.4
61.98704	0.4
69.32904	1.7
69.33325	1.1
76.78504	0.4
96.95864	1.6
96.96848	0.4
99.32938	0.3
111.05077	0.3
117.17563	0.3
121.39970	0.3
121.87446	0.3
122.88400	0.3
143.57683	0.3
154.31238	0.3
161.39479	0.3
219.04070	0.4
233.24544	0.4
307.04108	0.4
307.07465	0.4
323.07019	0.6
324.07968	0.8
335.07080	1.5
336.07736	1.8
337.08621	0.9
339.06757	0.6
343.09570	0.3
345.06119	0.3
351.06577	2.4
352.07343	3.1
353.07904	1.0
362.05829	1.1
362.66400	0.4
362.71625	0.4
363.06601	2.8
364.07227	1.7
365.08383	1.8
366.08463	0.4
375.06604	0.5
379.06155	1.4
380.06833	2.5
381.07565	0.8
390.05356	1.0
391.06216	1.9
392.06625	0.6
393.07532	0.7
407.05518	2.1
408.06256	1.0
418.05280	0.6
419.05554	2.0
421.06833	0.4
433.08090	0.3
435.05148	2.3
436.05945	1.1
437.06799	0.6
446.04330	1.7
447.04922	1.4
448.05975	1.1
463.04575	1.7
464.05316	53.3
465.06049	100.0
466.06390	15.3
477.06183	0.8
489.05963	3.4
507.07187	1.2
519.07104	0.7
627.11365	34.8
628.11646	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	626.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46172	0.1
57.03314	0.5
59.01248	1.4
61.98700	100.0
62.77753	0.1
65.00198	0.8
71.01260	0.5
73.02821	0.4
74.98933	0.1
75.00740	1.1
78.55667	0.1
78.95779	0.3
83.01275	0.5
83.87592	0.1
85.02855	0.4
87.00788	0.2
88.98689	0.5
89.02318	0.3
93.03356	0.2
95.04883	0.2
96.95894	0.5
101.02321	0.4
107.01255	1.3
108.02110	0.2
109.02819	0.3
110.03107	0.1
113.02352	0.3
115.00264	0.1
121.02842	0.2
122.03660	0.2
123.00811	0.2
123.04415	0.3
124.01561	0.2
125.02333	1.0
134.03639	0.3
135.02867	0.4
135.04407	3.9
136.04744	1.3
137.02342	0.4
139.03937	0.2
149.06065	0.2
150.03136	0.3
151.00272	5.4
152.00665	1.2
160.01625	0.6
161.02350	0.6
161.04514	0.2
165.01903	0.6
165.05583	0.2
167.03384	0.3
168.00534	0.1
169.01329	0.4
175.00339	0.2
175.03917	1.2
176.04379	0.3
177.01857	0.3
179.03470	0.3
179.05510	0.2
183.10222	0.2
191.03520	0.2
191.05493	0.2
193.05019	0.5
193.08723	0.2
195.06575	0.2
199.62657	0.1
205.05038	0.2
209.11816	0.2
227.03671	0.2
227.12981	0.2
243.03036	0.2
243.06734	0.2
255.02991	0.3
257.08450	0.2
271.02438	1.3
283.10504	0.3
285.04099	0.3
287.05615	2.0
288.05991	2.3
289.06686	0.3
299.02060	0.6
300.02725	0.8
301.00253	0.2
301.03439	0.4
314.04315	0.3
315.05017	0.8
337.09515	0.3
338.09839	0.4
359.24133	0.2
359.27856	0.9
360.28345	1.0
447.09647	0.6
500.13055	0.3
553.11487	0.2
563.25378	0.7
579.17993	0.2
626.16248	1.2
626.27582	0.9
627.13257	0.8
627.30133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34701	0.1
59.01245	0.9
61.98701	100.0
62.98423	0.1
69.23505	0.8
69.23926	0.2
71.01257	0.2
71.89068	0.1
72.99189	0.1
75.00708	0.1
82.38689	0.1
85.02856	0.1
87.20279	0.1
88.98680	0.2
89.02341	0.1
95.04913	0.6
96.95874	0.1
101.02338	0.2
102.94570	0.1
108.02048	0.1
109.02850	0.2
109.43592	0.1
123.04442	0.2
125.02327	0.2
134.03642	0.2
135.04419	0.1
149.02235	0.1
151.03946	0.1
160.01543	0.3
161.02351	0.1
169.01433	0.1
173.04433	0.1
175.03941	0.6
179.03371	0.1
181.08600	1.6
183.04478	0.1
189.01883	0.1
191.05464	0.1
193.05049	0.2
199.09767	0.1
217.01442	0.1
223.09682	0.2
229.01244	0.1
288.65781	0.1
307.02576	0.1
311.96948	0.1
324.02869	0.3
325.03580	0.3
341.06958	0.1
393.05838	0.1
417.21268	0.1
430.39191	0.1
460.87866	0.1
462.09366	0.1
517.11517	0.3
563.24884	0.4
582.17792	0.1
626.15460	0.4
626.25537	0.1
627.15320	0.3
627.30872	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	625.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51503	0.4
57.03308	0.8
59.01249	61.0
60.01577	0.8
60.99183	0.7
61.98704	12.2
65.00201	0.8
69.03313	0.6
71.00958	0.4
71.01259	3.9
73.02818	3.8
80.91520	0.7
83.01258	3.6
83.04885	0.5
85.02814	0.8
87.00778	0.6
88.98694	1.0
89.02331	0.8
93.03367	0.8
96.95882	0.6
97.93354	0.5
99.04379	1.5
101.02312	3.0
107.01239	0.8
108.02021	0.6
109.02836	0.6
109.06476	0.7
113.02322	1.9
115.36945	0.5
119.04903	0.9
121.02814	0.7
125.02325	1.9
127.03869	0.5
131.04948	2.5
135.02910	1.1
135.04404	5.3
138.05266	0.6
145.02844	0.7
147.04425	1.3
151.00285	4.6
151.03839	0.6
160.01611	0.8
160.02956	0.5
161.02414	1.1
163.03903	0.7
165.01863	0.8
165.12749	1.5
167.10684	0.6
174.03119	6.6
175.03912	19.2
176.04242	1.5
177.01765	0.5
179.03540	0.6
181.04930	1.3
189.12688	0.6
190.02574	0.6
191.03407	0.9
193.04970	0.6
196.07396	0.6
197.04448	0.7
205.05016	1.2
207.13815	6.9
209.11778	7.1
211.09592	0.6
225.14903	11.9
226.15138	0.7
227.12833	46.1
228.13179	2.9
229.76125	0.5
233.11719	0.8
235.58806	0.5
249.14865	0.6
251.12828	2.4
265.78506	0.5
269.13947	11.6
270.14279	0.7
283.10345	0.8
283.15387	0.6
287.06073	2.8
287.14987	100.0
288.15384	7.8
293.13846	1.8
300.02563	0.8
311.14975	1.7
329.16025	6.1
330.16360	0.7
337.09232	0.5
341.06564	1.0
341.98557	0.5
357.26245	1.1
358.26355	2.2
359.17133	6.9
359.27313	1.9
360.17361	0.8
389.18146	29.4
390.18393	2.6
419.07559	1.1
431.19598	0.8
449.20251	70.0
450.20663	9.5
461.08813	1.0
470.21835	0.6
625.15631	4.6
625.27515	1.7
626.15747	0.8
626.27771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33030	1.8
57.03295	8.4
58.00457	4.2
59.00968	1.9
59.01247	35.3
61.98700	74.1
66.50450	2.0
68.99655	5.9
69.41073	2.0
71.01250	18.1
72.99164	4.8
73.02792	8.5
75.00732	2.8
78.95750	2.6
81.03297	3.6
83.01247	3.9
83.04883	4.8
85.02789	8.6
87.00752	24.1
88.98682	11.5
89.02279	8.0
91.05367	8.4
91.84205	2.4
93.03284	6.4
95.01225	6.8
95.04874	5.0
96.95899	2.3
99.00710	2.5
101.02286	9.8
103.01759	2.9
105.03300	9.1
107.04939	13.9
108.02025	5.6
109.02799	7.6
109.06461	2.7
110.47047	1.9
111.00732	2.1
113.02280	9.3
114.05270	2.4
119.04869	3.4
120.05627	3.9
121.02843	16.1
121.36868	2.1
121.55132	2.0
122.03600	4.1
123.00685	3.6
123.04378	4.5
123.08050	2.2
125.02348	10.3
133.02855	3.5
134.03616	12.5
135.00696	4.6
135.04440	22.1
136.01483	3.2
137.02267	8.0
138.06693	5.8
139.00186	3.3
145.02759	6.1
147.04372	3.0
149.02368	15.5
149.05930	6.3
150.01965	3.3
150.03128	62.4
151.00294	3.8
151.03772	8.9
152.01021	4.2
152.04509	2.1
153.01746	7.1
153.05470	10.1
153.09114	11.8
154.02579	4.3
160.01575	12.6
161.02368	11.9
161.04395	5.6
161.08472	1.8
161.09628	15.9
161.13243	7.3
162.03096	5.9
163.00211	8.4
163.03793	4.6
163.11169	4.6
164.04585	6.2
165.05489	73.7
166.02472	4.1
166.05684	3.2
169.01201	5.5
169.04912	7.2
175.03923	17.5
177.01750	7.2
177.05475	3.6
178.02470	4.4
178.99855	12.1
179.03389	10.9
180.04066	7.2
181.01357	5.0
181.04849	5.4
183.06505	2.2
187.11192	17.9
188.11459	2.5
189.09216	15.0
190.02560	3.8
191.05487	4.6
193.01207	3.6
193.05006	19.1
194.02150	13.7
194.05283	3.8
195.02908	3.1
195.06552	38.0
197.04370	7.5
205.01231	4.1
205.04909	6.3
205.12199	9.0
207.02814	3.9
207.10182	4.9
209.04362	8.3
209.11566	2.8
211.06052	89.0
212.06287	2.9
222.01511	5.3
223.13181	3.7
225.14874	16.0
227.03410	2.8
227.05440	4.4
235.05795	4.2
237.03996	46.2
238.04280	2.8
239.05437	4.3
249.11166	9.9
255.04860	3.6
267.12210	8.9
267.15057	2.2
269.04401	6.7
287.14862	4.2
300.02505	5.2
301.03268	4.1
301.20361	4.7
327.10733	3.8
367.10300	2.6
419.03726	6.6
483.18637	3.5
551.08093	4.3
577.22137	7.5
593.22382	5.4
607.23688	18.3
625.13831	8.1
625.24707	100.0
626.15210	4.2
626.24945	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	625.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39948	1.9
57.03326	10.6
59.01241	8.2
65.00194	3.2
66.30573	2.0
71.01249	7.3
71.38139	1.8
73.02788	2.1
75.00743	7.3
83.01258	6.0
85.02834	3.4
87.00745	3.4
89.02321	6.8
93.03316	4.3
95.01260	2.6
99.00755	2.2
101.02309	3.2
107.01277	4.2
109.02838	7.4
111.00764	4.5
113.02350	5.5
113.37589	1.8
119.03378	3.5
120.67688	1.9
123.04380	4.1
123.39421	2.0
124.01524	2.3
125.02334	72.4
135.02878	6.1
135.04402	2.7
137.02330	12.5
139.03912	3.0
149.02426	2.6
151.00279	13.2
151.03905	3.2
151.11929	2.1
152.01024	4.3
153.01836	2.8
159.04373	3.2
161.02345	9.3
163.00227	3.9
163.03871	3.9
164.01007	6.3
165.01848	5.6
167.03374	7.3
169.01352	6.1
174.03105	2.5
175.03926	5.8
177.01750	4.8
178.99780	13.4
179.03366	5.2
181.05046	2.1
187.03889	2.8
191.03366	2.7
191.05498	7.3
193.01321	2.6
199.03874	2.3
203.03426	2.0
209.06020	3.0
214.02641	6.6
215.03354	2.4
225.05571	2.7
226.02600	2.2
227.03459	4.5
237.05505	2.9
242.02135	4.6
243.02846	5.4
243.77727	2.2
249.05467	6.0
255.03032	10.6
259.02499	2.9
261.05548	13.0
265.05069	5.5
266.05579	2.4
267.06647	2.5
270.01569	4.0
271.02469	48.6
271.05493	3.1
275.01898	2.6
276.04276	10.3
277.05014	51.6
277.07864	3.6
278.05750	20.1
279.06564	22.6
281.04532	7.2
282.05389	2.5
287.01923	14.6
289.04883	12.3
289.26755	2.1
290.05655	6.6
291.06567	11.8
293.04514	42.7
294.05093	12.0
295.06039	11.1
296.06790	16.7
297.07336	2.6
299.01953	3.4
300.02719	24.4
300.99789	5.2
301.04938	18.7
305.04562	4.5
306.05405	15.6
307.06110	76.0
308.06418	8.5
310.04807	2.9
315.06741	2.9
316.02213	58.9
317.02750	12.9
318.05438	12.4
319.02353	2.7
319.06082	53.7
320.06461	4.1
323.05643	4.6
324.06314	22.5
325.07141	17.1
337.07175	4.6
341.07974	3.6
343.04300	2.8
380.06754	2.4
383.09412	11.9
400.09998	2.8
401.09875	2.7
409.07074	7.6
419.11777	2.3
427.08154	20.2
428.08658	3.1
441.25842	2.7
444.08337	9.2
445.09311	44.1
446.09186	3.3
462.09607	35.6
463.10074	35.0
487.12350	8.3
488.12625	2.4
607.15076	5.0
625.14172	100.0
625.25757	3.3
626.14856	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	625.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.0
61.98698	14.7
65.00215	1.5
67.10098	0.5
69.97957	2.9
70.62838	0.5
71.01254	2.5
72.99185	1.3
73.02823	1.5
74.98971	0.7
75.00753	1.1
78.95781	3.5
81.41557	0.5
83.01262	1.1
83.04919	1.0
85.02828	1.8
87.00769	1.1
88.98671	2.9
89.02301	1.1
93.03332	0.6
95.01324	0.7
96.95898	1.0
97.02855	1.0
98.20540	0.7
99.00729	0.6
101.02342	1.8
109.02820	2.9
113.02304	0.8
119.04915	1.4
121.02846	6.1
125.02319	1.6
133.02829	0.6
134.03693	0.6
135.02902	0.6
135.04399	1.8
137.02353	0.8
145.02849	1.1
147.04442	0.7
149.02364	1.2
149.99489	0.6
151.00270	1.9
152.99420	2.7
160.01601	0.8
161.02370	1.5
161.04469	0.7
163.00279	0.7
163.03979	1.1
164.04729	0.7
165.01842	16.7
166.02275	0.6
171.10240	0.6
175.03929	2.9
182.85556	0.6
189.01782	0.6
190.02599	1.2
193.01337	2.9
193.05022	0.9
197.11806	3.3
199.03751	0.6
205.05046	1.7
207.03046	0.6
209.11774	4.3
211.04008	0.9
211.13382	0.7
217.01314	0.6
226.02579	0.9
227.03452	1.4
241.01096	0.8
243.02931	3.2
254.02155	2.6
255.02919	2.9
255.16028	0.7
256.03714	1.0
259.06250	0.8
265.09171	0.9
269.04596	1.7
271.02478	31.1
272.02991	2.7
283.10367	0.8
285.04080	1.3
287.05603	1.9
297.03839	0.8
299.01953	47.2
300.02649	12.9
301.03116	1.2
313.03732	2.3
314.04294	60.3
315.05060	65.2
316.05392	4.2
325.11429	0.8
327.05045	4.4
343.28513	0.6
345.03867	0.8
346.04819	2.1
347.05469	1.0
354.58478	0.6
358.04892	0.7
359.05530	0.7
360.05957	1.0
390.10367	1.1
402.07330	0.6
461.10883	100.0
462.11139	11.2
479.10269	3.5
553.13947	2.0
607.29956	0.7
625.15759	11.2
625.27148	2.3
625.34674	1.7
626.16095	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	625.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56410	2.2
57.03308	8.1
57.03687	2.6
59.01251	70.9
61.98383	5.4
61.98699	100.0
65.00177	6.3
67.87923	2.6
69.21521	16.5
69.21938	11.4
71.01251	28.7
71.04901	2.8
72.99154	4.7
73.02809	11.4
74.98946	4.1
75.00732	10.8
77.45115	2.5
78.95771	11.3
79.95637	2.7
83.01252	11.0
83.04888	3.1
85.02835	13.0
87.00750	10.3
87.04394	3.6
88.98679	5.9
89.02319	18.9
93.03334	5.3
95.01223	5.6
96.95882	10.8
97.02812	8.5
98.20518	5.7
99.00746	4.5
99.04377	3.2
100.74034	2.4
101.02313	21.7
107.01222	3.4
107.04856	3.3
108.02061	5.9
109.02836	12.2
111.04387	3.2
113.02312	14.3
119.03369	7.2
119.04897	8.0
120.99598	4.1
121.02802	7.4
121.04928	5.4
123.04379	12.1
123.08012	3.4
124.01520	3.1
125.02336	17.5
134.03607	2.7
135.02870	9.3
135.04425	25.7
136.99014	5.5
137.02328	4.8
138.03123	3.1
138.97218	2.3
139.03903	2.8
145.02725	3.6
147.04434	3.2
149.02293	6.4
149.05890	2.9
150.03098	2.6
151.00252	8.0
151.03906	5.7
152.99454	3.2
153.05447	7.0
153.09056	2.2
159.04350	3.8
160.01543	4.4
161.02330	9.5
161.04428	6.0
161.05869	3.1
162.03040	4.0
163.03865	10.8
165.01843	54.2
165.05486	3.0
166.02530	5.6
167.03407	4.9
169.01268	6.4
173.04433	4.2
174.03024	3.4
175.02565	3.4
175.03899	19.0
176.04642	2.8
177.01863	4.6
178.99750	6.5
179.03358	4.5
179.05397	4.0
181.04890	3.3
187.03925	3.6
187.07559	3.4
189.01883	4.6
190.02615	7.1
191.05519	4.8
191.64146	2.7
193.01320	8.4
193.05061	3.1
197.11745	28.5
199.03954	2.9
205.04980	9.3
207.02972	3.5
209.04318	3.0
209.11772	30.5
211.13380	8.4
217.01413	4.1
223.05849	3.8
239.12808	4.7
241.05037	4.9
242.05637	3.0
257.04453	6.7
265.09293	25.8
267.02737	3.4
269.04697	3.6
269.08286	4.7
271.02383	7.9
283.10352	14.3
284.03137	4.5
285.04025	50.1
299.02017	5.1
299.05560	3.5
300.02356	6.2
300.99890	5.3
313.03519	90.4
314.04092	9.9
315.04922	2.8
315.25369	33.2
325.11215	9.7
327.12369	8.9
328.05841	55.5
342.05325	5.7
343.05603	5.7
345.03827	5.3
346.04535	13.6
347.05203	10.2
348.05786	7.9
349.05957	3.7
355.04678	3.3
359.05383	10.0
359.27820	11.7
360.04913	76.9
361.05847	12.7
389.09958	8.1
390.10086	11.0
419.07718	4.0
434.10132	43.9
435.10822	65.3
436.11032	9.6
461.09073	6.1
463.13852	3.4
478.10526	2.7
510.10318	3.0
537.18115	2.9
553.14032	18.8
581.16656	91.6
582.17212	13.1
624.30029	5.2
625.15527	70.9
625.29767	16.0
626.15717	11.4
653.62616	3.2
654.83643	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	625.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69563	0.7
57.03322	3.4
57.98792	0.8
59.01250	10.0
61.98721	1.1
65.03834	0.7
69.03322	1.9
71.01250	7.7
76.05186	0.7
81.03339	2.5
83.01254	8.8
85.02827	2.3
86.61884	0.7
89.02316	7.1
93.03343	3.2
95.01266	1.6
95.04894	1.9
96.95872	0.9
97.02831	9.3
99.04389	1.1
101.02325	2.1
107.04888	2.3
107.21550	0.8
108.02035	1.7
109.02830	20.0
110.03227	0.8
111.00805	1.0
113.02313	7.0
115.05389	1.5
119.03403	1.3
120.02030	2.7
121.02856	6.0
123.00762	1.0
123.04398	9.6
125.01447	1.6
125.02334	24.4
131.04893	1.4
133.02896	1.4
135.04427	3.4
137.02336	60.2
138.03195	4.1
139.03893	2.9
142.79146	0.8
145.02853	8.7
147.04465	1.1
149.02344	4.9
150.03104	0.9
151.00314	1.9
151.03914	9.1
152.06998	0.8
153.01700	0.8
158.03619	0.9
159.04434	6.5
161.02359	4.5
161.06020	2.3
162.03157	1.7
163.00288	2.8
164.01060	31.1
165.01845	19.9
166.02608	2.8
167.03404	3.6
173.02354	30.6
173.05968	1.5
174.03122	8.1
175.03915	20.6
175.07500	1.3
177.01825	1.2
177.05580	0.9
179.03380	4.5
179.05434	0.7
185.06004	1.3
187.03992	3.7
188.04715	1.4
189.01740	0.8
201.05510	2.4
202.06210	1.2
203.03305	1.1
203.07095	7.9
205.04955	4.8
217.05098	1.3
221.08237	1.1
227.03371	1.1
227.07085	2.4
233.06042	3.1
237.05467	1.5
243.02910	1.3
243.06622	1.5
245.08151	12.5
246.08580	1.1
249.05569	2.3
255.02980	1.9
256.03516	1.3
261.05524	5.7
262.06076	1.2
264.04202	1.1
265.05008	1.4
269.00912	3.0
271.02435	2.9
271.05548	0.7
277.05087	1.9
279.06601	8.4
280.03778	0.8
282.01730	1.2
283.02399	2.8
287.05554	1.2
289.07199	100.0
290.07645	8.7
291.06485	1.1
293.04623	5.3
300.02747	7.8
301.00415	1.2
301.03207	5.7
305.04529	1.6
307.06082	6.4
309.39380	0.8
337.09180	1.9
340.07260	1.0
343.05737	1.2
345.03897	1.2
347.05634	1.2
359.09204	3.1
361.07349	0.9
363.04956	1.3
373.03580	2.0
373.10706	1.2
377.10281	1.4
383.09229	1.3
391.04727	1.3
399.08856	1.5
401.10361	3.3
418.03455	2.8
419.04056	10.2
420.04498	1.2
420.12411	0.8
427.08182	3.2
445.09250	82.0
446.09598	13.5
463.09027	5.8
478.05414	2.9
479.06143	4.7
520.49329	0.8
565.09912	4.2
568.07446	0.9
625.11987	11.5
626.12158	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	625.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74963	0.5
57.03316	1.4
59.01243	1.0
69.29293	1.1
69.29694	4.6
71.01263	0.5
79.31277	0.5
79.42059	0.5
83.01272	2.5
93.03330	1.2
95.01254	0.5
95.04902	0.6
96.98035	0.6
97.02839	0.8
99.04403	0.6
102.14503	0.5
109.02847	1.3
116.25168	0.5
121.02817	1.0
122.03596	0.9
123.04411	0.8
124.01571	0.6
125.01453	1.1
125.02332	14.5
132.69002	0.5
133.02902	0.7
135.04425	1.2
137.02356	6.3
139.03931	1.1
149.02338	0.7
150.03114	0.7
151.03934	0.9
160.01653	0.6
161.02356	12.5
163.03841	1.0
163.27109	0.5
164.01086	2.1
165.01895	3.3
166.02574	1.1
167.03424	5.1
173.02365	2.2
174.03117	2.1
174.28761	0.5
175.03880	1.4
175.76477	0.5
177.01826	0.7
179.03458	2.5
181.04857	0.7
187.03911	2.2
191.05270	0.7
191.88290	0.6
209.06059	1.3
212.04605	0.7
214.02707	1.6
215.03380	0.6
217.06261	0.5
221.06093	0.9
222.06805	1.0
223.07562	1.9
225.05528	1.0
227.03474	0.7
233.05913	0.6
235.03821	0.6
237.05444	1.7
239.07031	1.4
240.07851	2.2
245.09129	1.0
246.06688	0.9
249.05550	2.2
250.06325	6.0
251.07144	2.9
253.05066	1.8
261.05423	1.2
262.06451	0.6
264.04086	1.0
265.05002	3.7
266.05670	1.1
267.06577	1.1
268.07330	1.4
274.06491	0.6
277.05060	4.0
278.02795	1.0
278.05823	16.8
279.06577	17.5
280.03845	0.8
280.06931	1.7
281.04568	8.3
282.05212	5.0
283.06113	4.0
289.07352	1.5
290.05746	1.2
291.06577	1.6
293.04501	0.9
294.05322	10.6
295.06094	4.0
296.06873	49.7
297.07187	5.2
300.02435	0.6
301.04889	1.4
305.04605	2.4
306.05457	3.4
307.06055	7.3
308.06351	0.6
310.04816	2.3
318.05298	4.1
319.06088	8.9
320.06552	1.1
322.04822	1.0
323.05597	2.2
324.06372	36.2
325.06955	9.6
326.07471	0.8
328.05807	5.7
331.06192	0.9
335.05634	2.1
336.06158	3.7
337.07101	5.5
338.07419	0.7
343.05939	0.7
344.06723	0.7
349.07144	6.9
350.07452	0.6
361.07028	0.9
377.10501	0.7
378.07568	1.0
383.09348	0.9
401.10379	1.7
418.10651	1.1
419.11594	2.5
420.08392	1.3
445.09116	4.3
446.09964	0.9
448.03546	0.6
461.08484	1.9
462.09549	100.0
463.10257	74.4
464.10556	9.3
475.10181	7.8
476.10800	1.2
486.11761	0.7
487.12460	11.8
488.12802	1.0
499.12430	1.4
575.14935	0.6
625.15570	13.3
626.15497	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	623.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
57.03309	0.2
57.60207	0.2
59.01247	100.0
60.01581	1.0
61.98702	1.1
63.27716	0.2
71.01251	2.0
71.50835	0.2
72.35980	0.2
73.02818	0.7
75.00782	0.3
83.01281	0.3
85.02832	1.1
99.00769	0.4
101.02315	0.3
131.03423	1.0
145.02791	0.4
163.10953	0.2
183.43652	0.2
249.08218	0.2
272.33380	0.2
299.02017	0.2
487.34033	0.4
491.37265	0.4
563.35870	1.7
564.36218	0.3
579.24463	0.2
607.34790	0.6
616.10516	0.2
623.37903	7.1
624.38208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1197
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
52.24135	0.3
57.22726	0.3
59.01253	0.8
61.98694	0.7
63.02266	0.6
63.47202	0.3
65.00199	1.4
69.20505	0.3
69.20811	3.5
71.01260	0.4
77.92018	0.3
83.01257	1.5
85.02831	0.4
89.94112	0.3
91.26769	0.3
93.03349	0.7
101.02312	0.5
104.93280	0.3
107.01283	3.5
107.04897	0.3
107.76498	0.3
108.02056	1.4
109.02853	2.0
119.01225	0.3
119.04895	0.5
120.99624	0.4
121.02826	2.5
124.01526	0.6
125.02340	1.2
133.02869	2.6
135.00761	0.6
135.04427	2.8
136.99059	0.4
137.02327	0.9
139.00121	0.4
148.01590	1.2
149.02299	0.9
150.03107	1.1
151.00273	15.5
152.00681	0.7
159.04434	0.4
161.01071	0.7
161.02354	7.8
162.02786	0.4
163.00281	2.8
164.01059	1.1
165.01857	0.7
165.05534	1.4
169.01357	1.2
175.03951	0.7
178.99789	8.1
179.03416	1.5
183.04521	0.7
187.04033	0.5
189.01779	0.4
190.02577	0.3
190.99820	1.0
191.03470	0.4
192.00577	0.7
199.03986	0.7
201.05466	0.4
203.03401	0.6
211.03923	1.0
214.02643	0.6
215.03404	0.6
216.04195	0.7
226.02704	1.2
227.03455	2.3
228.04124	0.4
229.05009	1.0
239.03311	0.5
242.02274	0.3
243.02971	8.0
244.03447	1.1
245.04532	1.0
254.02191	1.7
255.02963	23.2
256.03345	1.5
257.04587	0.5
259.02518	0.5
270.01566	0.5
271.02472	46.3
272.02927	4.9
273.04028	1.4
283.02542	1.4
285.03986	0.5
287.01996	1.3
299.01987	1.6
300.02734	100.0
301.03461	59.3
302.03827	3.8
316.02185	6.4
317.02826	1.1
323.07758	1.6
329.02945	0.5
335.87006	0.4
352.08987	0.4
404.20834	0.3
463.08810	76.3
464.09143	10.0
479.08191	1.9
625.11969	51.1
626.12225	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	623.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.8
57.03317	1.0
59.01248	9.2
61.98701	13.1
65.46690	0.7
71.01254	7.9
71.06127	1.5
72.99171	1.0
73.02816	2.6
75.00739	1.3
75.15796	0.7
76.43936	0.6
78.95775	100.0
80.02549	1.9
81.03316	1.6
83.01256	1.0
83.04899	7.8
84.02032	1.2
85.02820	3.2
87.00736	0.8
88.98689	1.8
89.02315	2.5
92.09279	0.6
93.03333	1.3
95.01206	0.7
95.04893	1.1
96.95865	1.0
96.96829	8.4
97.06512	0.7
99.00759	1.1
101.02328	6.1
109.02865	0.6
113.02305	3.5
119.01279	2.0
119.03400	0.8
119.04917	1.0
121.02846	2.0
123.04416	0.8
125.02328	2.8
125.05995	1.0
125.09617	0.7
134.03654	0.9
134.98416	0.9
135.04417	1.2
135.08012	1.1
137.02350	1.7
142.35606	0.6
147.00790	2.2
147.04410	0.7
149.02339	5.3
150.97935	1.2
152.99484	55.8
153.99821	0.8
161.02336	1.2
161.04459	2.1
163.03885	1.4
163.11182	5.3
164.04681	5.0
165.01860	1.5
165.05496	1.8
165.12764	4.0
173.02470	0.7
173.04503	0.8
175.00302	8.2
175.03926	5.7
179.07048	1.1
189.01794	0.7
190.02637	23.6
191.03197	2.2
191.05574	0.9
191.10739	1.6
195.60182	0.7
205.05002	22.0
206.05412	1.3
209.11760	94.0
210.12114	6.6
221.08183	1.0
223.06064	7.4
227.12834	10.7
241.51707	0.6
265.07077	1.7
281.12390	1.4
299.02133	0.8
313.23892	1.7
314.04120	0.9
315.05011	0.9
329.04520	1.8
341.04471	0.8
342.05246	2.7
343.05881	0.7
345.03983	5.8
346.04568	1.8
347.05530	3.1
357.26413	1.8
358.04791	3.7
359.05524	8.8
359.27960	0.8
360.05902	1.4
363.12112	29.2
364.12433	2.7
371.09174	1.4
381.13138	8.6
388.09570	7.1
389.10175	3.1
395.14740	8.5
396.15131	1.0
396.79248	0.9
398.91931	0.8
401.25687	1.7
413.15701	2.0
431.11240	0.7
443.11383	0.8
460.11850	1.1
508.09784	1.1
510.11899	1.0
522.23407	0.7
551.15924	4.6
552.15411	1.0
563.30737	8.9
564.30994	0.8
591.25763	42.3
592.26025	5.9
609.96790	0.8
623.29468	50.0
624.29779	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	623.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44613	0.7
57.03315	1.8
59.01252	17.8
60.99175	16.2
61.98700	38.0
69.03271	0.8
69.23076	2.3
69.23492	6.0
71.01250	8.6
72.99194	1.4
73.02810	2.5
74.98932	1.0
75.00747	1.2
78.95750	1.0
83.01230	1.4
85.02813	3.1
87.00750	2.2
88.98676	100.0
89.02313	4.9
89.99038	1.1
93.03349	2.3
95.01266	1.2
96.95893	2.4
98.20545	2.0
99.00753	0.9
99.04388	1.0
101.02336	5.1
106.98132	0.7
107.04905	0.9
108.02069	1.2
109.02843	3.4
111.00745	0.8
113.02328	3.0
116.92760	1.4
117.03376	0.8
119.03368	1.1
119.04913	3.2
121.02839	2.9
123.04372	1.4
125.02345	5.8
133.02853	5.2
134.03583	1.3
135.04417	6.5
136.99043	1.2
137.02319	2.0
138.87312	0.7
145.02861	1.5
147.04430	0.9
149.02353	1.0
149.05988	1.3
150.03070	1.1
151.00275	1.1
151.03865	1.6
159.04489	0.8
161.02351	18.9
161.04465	2.0
161.05951	1.3
163.03914	1.7
165.01865	4.1
165.05452	2.2
167.03378	1.4
169.01331	1.2
173.02335	0.9
173.04411	1.3
174.03125	1.5
174.88936	1.6
175.03880	4.9
177.01825	1.5
177.05452	1.1
179.03389	4.1
187.03815	1.1
190.02599	1.8
191.03468	2.0
191.05542	6.4
193.01247	0.9
199.03986	1.2
201.11223	0.9
205.04944	6.7
209.11732	1.0
211.05978	0.9
215.03465	0.8
217.01195	0.8
223.13313	0.9
227.03432	2.1
239.03426	3.1
239.05553	1.8
243.02927	1.8
255.02934	6.6
267.10751	1.4
271.02484	4.7
281.04480	0.9
283.02362	1.2
283.10233	1.3
284.03226	5.7
285.03848	1.2
289.07367	1.1
293.04297	1.2
295.02454	1.5
299.01932	5.7
299.05576	4.2
300.02539	2.3
307.06088	2.2
308.06793	2.2
314.04337	4.4
315.05072	8.5
323.07620	2.8
327.15939	2.9
333.04022	1.5
342.05273	1.2
343.24869	1.2
345.03937	2.2
347.05328	1.0
357.26453	1.9
358.04712	1.9
359.05637	4.7
388.09427	3.5
389.09985	1.0
421.20438	1.3
431.11404	1.9
442.10507	1.7
449.12299	1.4
477.08319	0.9
525.10168	1.7
526.11237	2.2
533.23932	11.2
534.24115	1.6
551.15265	1.8
563.30688	1.2
623.15558	12.5
623.25250	2.2
623.33698	2.8
624.14911	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	623.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
57.96311	0.7
59.01247	12.5
61.98382	1.3
61.98701	21.8
69.26438	4.8
69.26860	2.6
71.01250	8.8
72.99179	1.8
73.02824	2.9
74.98947	1.1
75.00756	2.0
78.95776	22.2
79.95590	0.7
83.01265	1.6
83.04893	1.8
85.02823	4.7
87.00740	2.3
87.04388	1.0
88.98676	1.9
89.02303	4.3
93.03331	2.1
96.95886	4.7
96.96844	1.9
99.00765	1.1
100.85072	0.7
101.02338	4.3
103.03870	0.8
105.01791	2.5
107.04884	0.8
109.02802	2.3
113.02325	2.7
119.03342	1.1
120.99525	1.6
121.02840	0.9
123.04414	1.1
125.02327	3.3
127.03948	0.9
127.43238	0.7
131.04854	0.8
134.03702	0.8
135.04417	4.1
137.02296	1.9
138.85556	0.8
145.02852	2.0
147.00728	0.7
147.04384	1.4
149.02350	2.2
150.03133	0.8
151.03886	1.3
152.00998	0.9
152.99484	11.4
153.01782	0.7
155.03401	0.7
161.02289	4.3
161.04453	2.1
163.03874	1.7
163.11247	1.1
164.04579	1.7
165.01830	2.2
165.05429	2.0
169.01358	0.8
171.00490	0.8
173.02333	1.1
173.04475	1.4
174.03081	2.4
175.00333	3.5
175.02501	1.0
175.03918	8.2
176.00993	0.9
177.01797	1.1
179.03418	2.3
179.05420	1.2
183.04507	1.6
185.02316	1.2
187.03908	1.5
187.11113	0.9
190.02649	6.6
191.05516	4.8
191.10475	0.7
200.04851	0.9
200.06639	0.7
205.04974	6.0
206.05672	1.0
207.10214	1.8
209.11751	19.6
211.04019	1.4
215.07074	1.2
223.05914	1.6
223.07814	0.8
225.05724	1.0
225.11293	1.2
227.03464	1.4
227.12822	4.4
228.04105	0.7
239.03453	1.5
239.07176	0.9
243.02962	0.9
255.02917	1.4
269.07944	0.9
271.02429	4.5
281.12344	1.8
285.07709	1.7
293.04263	0.9
299.01953	6.4
299.98962	0.8
300.02570	1.2
300.99768	1.1
301.04913	2.1
303.06638	1.9
309.08014	1.1
313.05112	3.0
313.23892	2.7
314.04279	5.2
315.04956	2.1
317.04349	0.9
329.04523	15.9
330.04959	2.6
331.05850	1.2
341.04565	6.1
342.05267	27.9
343.05753	4.4
345.04037	53.2
346.04684	18.5
347.05569	23.5
348.06073	2.8
353.08527	2.2
355.06094	6.2
356.06683	2.8
357.04114	2.0
357.26364	3.4
358.04794	29.6
359.05576	100.0
359.27972	2.5
360.05936	13.1
360.09979	1.3
363.04739	1.1
363.12039	7.6
370.08353	7.9
371.05707	1.3
371.09351	11.7
372.05853	4.0
372.10181	1.7
381.13156	2.3
384.06461	0.9
387.08807	1.4
388.09528	72.7
389.10138	22.6
390.10611	2.3
395.14545	1.5
399.08575	1.8
400.09296	0.8
401.10214	7.2
413.15787	1.3
416.09073	2.2
417.10153	1.1
431.11417	2.5
442.10391	2.3
443.11548	1.0
460.11917	5.5
461.12155	3.0
477.10355	4.3
507.09436	1.4
508.10031	7.6
509.10715	4.7
510.11548	8.5
511.12518	1.2
551.15564	36.2
552.15887	7.9
563.30548	1.7
590.99390	1.0
591.25598	8.8
592.26373	1.0
623.17017	6.9
623.29620	9.8
624.17645	2.7
624.28790	1.3
625.43549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1616
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.84840	0.1
59.01244	0.3
59.30621	0.1
63.02018	0.2
63.02290	0.2
64.33850	0.2
65.00167	1.0
65.14013	0.2
69.31754	1.6
74.62064	0.1
77.68401	0.2
89.00208	0.3
91.01767	0.2
93.03335	0.5
97.02821	0.6
105.04321	0.2
107.01277	0.3
108.02081	0.3
109.02821	2.4
121.02835	3.6
125.02431	0.2
133.02856	0.4
135.04451	0.2
139.03893	0.2
145.02844	0.2
148.01639	0.2
149.02283	0.4
149.99507	0.5
151.00259	0.9
155.04907	0.2
157.02840	0.2
157.66670	0.2
160.01634	0.3
163.00261	0.4
163.03870	0.5
165.01839	13.3
166.02173	0.8
171.04439	0.3
175.03926	0.6
183.02867	0.3
183.04391	0.3
187.03795	0.2
189.01862	0.2
190.02634	0.2
191.03433	0.4
193.01367	2.7
193.05063	0.2
199.03888	1.7
201.01854	0.6
203.03452	0.4
207.02919	0.4
215.03485	1.0
221.04413	0.2
226.02740	1.0
227.03442	2.8
228.04117	0.7
229.01212	0.2
242.02086	0.6
243.02969	4.7
243.06528	0.2
244.03450	0.3
254.02193	1.8
255.02925	2.2
256.03638	0.5
257.04599	0.4
259.06046	0.5
269.04514	2.3
270.01669	0.8
270.04578	0.3
271.02463	53.7
272.02847	4.6
282.01660	0.2
285.04013	2.6
286.04608	0.7
287.05634	1.0
297.04065	0.7
298.04385	0.2
299.01941	88.9
300.02502	13.6
301.03027	0.6
313.03506	0.3
314.04297	81.1
315.05014	43.5
316.05444	3.4
357.06146	1.2
623.16119	100.0
624.16449	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	621.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14087	0.6
55.01757	1.0
57.03317	5.0
59.01246	36.7
60.99172	1.5
61.98697	12.6
69.56461	0.6
71.01250	21.5
71.04900	0.9
71.50475	0.6
72.99195	2.3
73.02821	6.8
75.00738	2.7
78.95767	3.8
79.91161	0.6
81.80898	0.8
83.01256	2.2
83.04910	4.3
84.84013	0.6
85.02815	10.1
87.00746	11.5
88.98677	6.3
89.02313	8.9
93.03338	1.8
95.01291	1.1
95.04906	1.4
96.95892	1.5
96.96827	0.6
97.02860	0.7
97.06487	2.0
99.00771	2.9
99.04424	0.8
101.02317	11.4
105.07003	0.9
107.04904	7.7
109.02838	1.0
109.06509	0.9
111.04331	0.8
113.02312	8.3
114.07846	0.6
117.79877	0.7
119.03378	1.7
119.04899	0.9
120.05707	4.9
121.02876	1.0
123.08062	0.9
124.01565	0.8
125.02322	1.7
133.02805	1.7
135.04411	6.2
135.08026	1.1
135.11761	1.1
137.02367	2.5
141.42503	0.7
146.07312	0.9
147.00798	0.8
149.02338	3.6
149.04492	0.8
149.05974	1.2
152.04683	2.8
152.99515	1.8
157.06432	1.3
159.02922	1.5
159.08043	1.1
159.11667	1.1
161.02379	2.7
161.04430	4.1
161.09618	26.9
161.13255	12.6
162.09949	0.9
162.13725	1.0
163.03961	1.9
163.11194	2.3
164.04704	3.0
165.01851	1.0
173.04440	3.5
174.03104	0.9
175.00311	4.8
175.03876	5.8
177.01869	1.6
179.03392	2.0
179.05524	1.5
179.06993	0.8
179.10728	2.4
181.05087	1.1
185.09740	1.0
187.11198	34.8
188.11597	2.0
189.01857	1.6
189.09129	21.9
190.02625	13.8
190.09512	1.4
191.03181	1.7
191.05571	1.7
193.05063	0.8
203.10739	1.6
205.05016	11.6
205.06894	1.2
205.12274	13.6
206.05482	1.5
206.12544	0.9
207.10193	5.2
209.11748	2.6
209.15427	1.7
221.08160	0.8
223.05934	5.6
223.07979	0.8
223.13153	0.8
225.11311	1.4
231.06630	1.2
231.10297	0.8
249.11296	16.3
250.11725	1.0
251.07149	1.9
265.07227	2.7
267.12381	11.2
267.15289	1.1
269.08243	2.3
275.05624	0.8
281.12701	0.9
295.08115	1.0
301.00046	0.8
311.25903	0.8
313.23492	0.7
325.09225	2.0
341.27081	0.7
345.04074	1.7
346.04709	1.5
357.26447	1.4
359.28027	1.1
361.10504	1.4
367.06848	0.7
371.20828	1.9
385.11322	0.8
395.14380	1.0
401.78452	0.7
429.06586	1.3
429.14023	0.8
447.10974	1.5
458.10229	2.0
459.12305	0.8
477.24893	2.3
559.33319	1.1
561.30310	0.7
589.24329	1.9
603.32574	1.7
621.32831	100.0
622.33240	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	621.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03094	0.5
57.03325	6.7
58.00449	0.5
59.01249	36.5
61.98703	17.5
66.08884	0.5
67.01755	0.6
69.17186	2.8
69.17614	2.8
71.01253	20.1
71.04877	0.8
72.99180	1.3
73.02815	5.3
75.00716	0.6
78.95773	2.0
79.05407	0.6
79.95612	1.1
81.03315	0.8
83.01266	2.7
83.04887	4.0
85.02822	9.4
87.00755	10.4
88.98692	0.7
89.02306	6.4
93.03355	3.2
95.01263	1.1
95.04896	1.2
96.95888	13.7
96.96814	0.8
97.02824	0.7
97.06472	2.5
99.00754	2.2
99.04382	0.7
101.02314	10.3
105.03345	1.1
106.04158	0.7
107.04907	7.9
111.00731	0.7
111.04409	1.4
113.02326	7.2
116.92731	0.7
119.03387	1.6
119.34644	0.5
120.05691	4.1
121.02863	0.7
121.06524	0.7
123.04401	1.2
123.07990	0.7
125.02325	1.4
129.01796	0.9
133.02859	6.1
133.10103	0.5
135.04420	11.1
135.06541	1.3
135.07977	0.6
135.11682	1.2
141.05478	0.7
143.03430	0.8
147.08057	0.9
149.02313	0.9
149.06009	0.6
152.04712	2.7
152.99521	0.6
155.03421	0.7
157.06450	1.4
158.09404	0.5
159.02911	0.7
159.08066	1.0
159.11728	1.2
161.02310	1.2
161.04488	3.4
161.09628	22.4
161.13260	12.0
162.10001	1.4
163.11223	1.9
171.08049	0.9
171.10173	2.9
172.08864	0.8
173.04488	7.2
174.03152	0.7
175.00238	0.9
175.03979	1.5
177.01833	3.4
179.03407	8.8
179.10716	3.3
180.03818	0.7
185.09622	0.9
187.11208	27.0
188.11563	2.0
189.01868	0.7
189.09137	17.8
190.02592	3.1
190.09511	1.3
191.05513	5.5
203.10716	1.6
205.05005	2.4
205.12285	11.7
206.12695	0.8
207.10167	4.4
208.05247	4.8
209.15411	1.2
211.03915	0.7
222.03142	2.7
223.03969	0.8
223.07610	8.1
223.13350	1.1
224.07964	0.8
231.10268	1.3
239.07230	0.8
241.08661	1.1
249.11307	12.0
250.11630	0.7
251.07123	8.8
252.07497	1.1
267.06534	1.3
267.12357	10.1
268.12637	0.9
269.08185	11.4
270.08591	1.8
285.07639	0.7
297.11893	6.9
300.99829	0.9
313.07315	0.9
341.26913	3.2
345.04001	1.0
351.07288	1.5
353.08777	1.9
371.20755	1.6
424.30054	0.7
426.11749	0.7
447.10901	6.3
448.10889	0.6
458.13876	1.0
459.09875	0.7
459.30893	1.8
477.24869	1.9
603.31940	1.5
621.19629	3.0
621.32770	100.0
622.33167	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	621.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24165	1.1
55.07141	1.3
57.03329	2.5
57.13648	1.5
58.00475	1.4
59.01253	26.5
60.32011	1.2
61.98704	39.1
71.01253	14.0
72.99210	2.2
73.02823	3.5
75.00773	2.7
78.95764	3.5
82.30593	1.2
83.01271	1.9
83.04893	5.4
85.02808	7.1
87.00741	3.7
88.98692	3.3
89.02322	6.4
93.03331	14.8
95.01260	2.0
95.04939	3.5
96.95936	1.6
97.06523	1.5
98.19742	1.8
99.00784	2.6
99.04402	1.9
101.02336	6.0
105.03338	7.4
107.04876	2.5
109.02853	2.4
111.04402	7.2
113.02330	4.8
116.92758	2.1
119.03410	1.9
123.04366	2.5
125.02306	2.9
125.09602	2.5
133.02846	40.5
135.04410	36.3
135.05440	1.6
136.04980	1.3
137.02351	3.2
149.02400	2.0
155.03381	6.2
161.02350	7.1
161.04520	1.5
161.13358	1.6
163.03917	1.6
164.04605	1.4
167.03331	1.3
173.04468	33.9
174.03146	5.0
174.04659	2.2
175.00241	1.7
175.03946	9.5
177.01825	20.0
178.02391	2.0
179.03421	54.9
180.03754	2.1
187.03964	2.1
187.11075	1.8
189.01883	1.7
189.09027	2.2
190.02600	3.4
191.05566	16.3
193.62242	1.3
200.04666	3.6
205.05063	3.7
207.10222	1.6
208.05223	48.6
208.07207	2.3
209.05630	3.5
211.03935	4.2
211.13351	2.4
214.02734	2.5
215.14377	2.4
221.15366	2.1
222.03192	19.3
222.06758	2.7
223.03935	2.9
223.07596	70.2
223.13297	1.6
224.04726	3.3
224.07938	5.7
225.05478	1.4
227.07202	2.1
229.05048	6.2
231.06497	2.7
233.15437	5.6
236.04785	2.7
239.03351	2.5
239.07083	2.3
240.04150	4.1
241.04846	1.9
241.08667	7.4
249.11333	1.7
249.81020	1.3
251.07109	76.0
252.04594	2.4
252.07489	6.8
263.05869	1.3
267.06708	9.7
268.07092	1.7
269.08179	100.0
270.08548	9.4
297.11911	5.6
298.11975	1.5
300.99847	2.5
326.06161	1.4
329.04404	4.6
339.06921	1.5
341.26907	6.0
345.03989	29.7
346.04593	9.7
347.05545	15.0
351.07114	9.6
353.08694	7.7
385.23892	4.3
441.09689	2.5
447.10901	28.4
448.10922	2.5
458.14297	1.4
459.10648	2.8
483.09613	1.7
508.10431	2.7
509.10629	3.5
620.35645	2.7
621.13104	12.1
621.33350	36.1
622.32489	2.1
646.12238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.1
61.98689	3.0
64.41606	0.3
69.03333	0.5
71.50871	0.6
78.95784	1.9
116.15919	0.4
117.03342	24.4
118.03670	0.8
119.04893	7.8
120.05294	0.5
121.02842	2.1
123.04353	0.7
145.02846	83.1
146.03189	4.4
162.03119	0.9
163.03922	2.4
171.10201	0.5
255.23338	0.6
300.99899	0.5
353.53607	0.4
455.31699	2.5
456.32025	0.5
470.35696	0.5
536.61963	0.5
575.37488	3.9
576.37634	0.6
619.36340	100.0
620.36633	22.0
631.43793	0.4
648.24194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.364
Annotation	Coccinone C
Peak:m/z	Relative Intensity
59.01254	1.2
61.20807	0.4
61.98695	3.6
63.94799	0.4
78.95781	1.7
84.19849	0.4
84.56257	0.5
89.09303	0.4
100.77849	0.4
117.03349	20.8
118.03643	0.7
119.04914	6.9
121.02824	2.2
125.64266	0.5
130.77585	0.4
133.02808	0.7
145.02853	83.0
146.03229	3.3
149.66029	0.5
152.99471	1.1
162.03142	0.5
162.93204	0.4
163.03932	2.6
198.70523	0.4
203.01701	0.5
229.67346	0.5
255.23103	0.4
300.99945	0.6
455.31625	2.9
575.37463	3.8
576.37781	0.8
619.36365	100.0
620.36725	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	619.4002
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
52.61134	0.5
52.73284	0.4
59.01224	1.5
61.98692	0.8
68.79398	0.5
70.07729	1.4
77.15752	0.5
78.68570	0.5
78.95768	1.7
102.89593	0.5
117.03325	2.5
119.04884	1.3
120.05166	0.5
120.86320	0.5
145.02858	7.1
146.03201	1.3
152.99471	1.2
163.03888	1.4
165.05460	1.2
168.58450	0.5
170.66759	0.5
255.23425	0.5
304.02579	0.6
422.58514	0.5
453.33652	7.9
454.33875	1.6
471.34644	2.7
472.35321	0.8
619.39996	100.0
620.40344	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	621.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
69.73594	2.9
69.74024	2.2
71.01258	1.4
72.99158	1.0
75.00748	2.2
81.05013	0.9
84.15004	0.8
86.81882	0.8
95.01266	2.5
96.95880	2.3
109.02877	0.9
115.00291	1.0
119.04928	1.6
123.00767	5.0
125.02351	2.4
135.02901	1.9
135.04411	2.9
151.00276	2.1
163.03993	1.5
166.99791	8.6
169.01346	2.3
172.01566	2.7
175.03932	3.3
179.03503	2.4
179.05511	3.5
185.02301	2.1
195.54434	0.8
200.01144	1.3
214.99899	1.4
216.00610	2.0
227.07040	2.4
227.38867	1.0
228.00595	4.1
229.01382	2.9
241.97322	0.8
242.99324	2.1
244.00011	3.0
245.00952	1.9
255.10162	1.4
257.00891	1.3
270.98816	17.3
271.99664	4.3
282.98846	1.3
283.99573	1.7
285.00116	1.0
298.98318	26.9
299.95575	2.0
299.99081	56.1
300.99866	100.0
302.00241	9.1
343.14905	0.9
377.07236	0.8
425.01477	22.4
426.01920	2.7
450.99518	3.0
451.21094	0.9
469.00394	19.1
470.00558	1.6
505.13589	1.0
605.92212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53069	0.5
57.44651	0.5
60.83062	0.4
61.98699	0.9
62.96284	0.8
63.39701	0.6
66.16852	0.6
71.25941	1.2
78.95776	100.0
83.04903	1.8
84.81752	0.6
87.09606	0.6
96.96844	7.9
109.95889	0.6
134.98402	1.4
150.97939	0.8
152.99489	59.7
153.99788	1.2
158.90224	0.5
163.11240	1.4
165.12711	1.2
171.00598	0.9
209.11760	28.2
210.12042	1.5
220.58229	0.6
227.12866	7.1
255.23267	86.6
256.23621	9.0
363.07581	0.8
363.12103	13.7
364.12546	1.3
369.00510	0.5
381.13287	1.4
391.22510	26.1
392.23068	2.8
409.23550	14.4
410.23901	1.5
619.36121	48.3
620.36407	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	619.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
55.81826	1.4
57.03333	1.8
58.00447	2.6
59.01251	45.3
59.98380	1.1
61.98706	14.1
69.03323	3.3
70.29822	1.2
71.01251	38.4
71.51164	1.4
72.99183	3.7
73.02820	8.2
73.94665	1.4
78.95773	51.7
81.03345	2.3
83.01258	3.9
83.04900	3.2
85.02823	10.6
85.38350	1.4
87.00745	4.2
89.02319	45.3
93.03362	1.2
95.01253	4.0
96.96841	6.1
97.02821	3.7
99.00726	1.9
101.02314	28.8
107.01254	3.3
109.02799	2.2
111.00793	2.0
113.02319	13.3
119.03392	18.8
123.00777	10.6
125.02334	24.4
131.03400	3.6
139.00269	3.7
140.01057	2.4
141.01834	2.1
143.03410	5.6
149.04449	1.8
151.00255	6.9
152.99474	30.8
161.04417	7.4
162.76801	1.3
165.12746	1.4
167.03516	1.1
167.10767	1.6
168.00598	2.5
169.01353	15.8
179.05534	20.0
195.13821	3.5
195.26741	1.2
205.12317	3.1
209.11786	23.0
221.06612	11.2
223.13333	20.6
224.13583	1.6
227.12854	2.9
235.17001	19.5
245.06610	1.6
248.79169	1.2
263.07703	3.8
283.13309	1.8
287.51636	1.3
300.99973	2.1
313.05399	1.3
323.09854	21.0
359.12701	10.8
363.12088	8.9
368.06567	1.9
377.13705	4.3
381.13211	2.8
395.14676	5.5
413.15594	1.5
425.10248	2.1
457.13260	1.7
457.29300	2.7
579.33350	1.3
587.26227	19.1
588.26825	2.1
614.99847	1.5
618.78217	2.6
619.31158	100.0
620.31409	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	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.90500	3.0
70.86457	1.0
73.04325	0.8
78.95773	58.5
79.24247	0.8
96.96826	4.3
98.20425	1.2
134.98386	1.2
152.53850	0.9
152.99481	32.5
158.01727	0.9
163.11253	1.5
171.00430	0.9
209.11786	16.0
227.12746	5.4
255.23250	49.0
256.23538	3.3
291.30338	0.9
360.27524	1.0
363.12195	8.3
391.22583	15.5
392.22919	1.1
401.14063	1.2
402.62732	1.0
409.23602	9.3
415.15674	2.4
416.16431	11.1
417.16550	2.4
429.17169	2.0
430.17908	2.6
431.18521	1.8
459.18204	100.0
460.18613	15.7
473.19794	15.1
474.20657	5.4
475.21469	1.0
485.16232	1.7
487.17291	1.0
501.19351	1.6
503.17307	3.1
517.18774	2.6
518.19568	45.0
519.19745	9.5
532.21051	7.2
533.21912	96.1
534.22272	16.8
543.20337	1.0
587.22809	6.0
588.23553	1.6
619.25537	77.3
619.36127	27.3
620.25891	17.6
620.36505	4.5
628.05420	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	619.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.9
60.01548	0.8
61.98702	9.3
71.01249	4.2
71.51505	0.7
71.51933	1.2
72.99164	1.5
73.02806	1.4
75.00755	1.3
81.03297	0.7
83.04870	0.8
85.02811	2.2
87.00745	1.9
88.98667	1.5
89.02310	3.1
93.03336	6.6
96.95879	5.2
96.96839	0.9
97.02846	1.3
101.02339	3.4
103.03904	1.0
108.07326	0.6
109.02824	8.0
113.02352	2.3
117.03355	1.1
119.04849	0.9
121.02866	1.4
123.04391	6.1
125.02348	1.9
133.02815	4.0
135.04488	1.1
137.02335	2.3
145.02846	10.9
147.04329	1.2
149.02336	1.5
150.03122	0.7
151.00279	0.8
151.03922	4.1
161.02281	1.9
161.04509	1.7
163.03928	1.3
169.01292	1.3
171.10210	1.7
172.10413	0.8
173.02295	1.3
174.03137	100.0
175.00281	1.5
175.03902	18.2
177.01852	32.2
178.02222	1.7
187.03906	5.5
189.01851	19.4
189.05389	1.4
190.02617	9.1
191.03391	5.6
191.05409	0.9
195.04445	0.9
199.03979	0.8
201.01897	2.3
201.05310	0.8
203.03436	2.8
205.04956	3.1
209.11774	1.7
213.05544	2.9
216.00597	3.1
217.01364	16.1
218.01947	2.2
219.02907	6.6
225.05588	1.5
226.06340	1.5
227.03520	2.6
227.07140	1.7
229.05075	2.7
231.02963	7.0
238.06332	1.0
239.06989	1.0
240.07788	0.8
241.05016	1.5
243.06796	1.0
251.07121	0.9
253.04990	2.4
254.05922	4.7
255.06589	1.4
259.06049	2.1
259.73981	0.8
265.08798	1.1
266.09467	1.0
269.04630	0.9
271.06110	6.7
279.06607	1.4
281.04434	2.0
283.06061	1.6
285.07706	2.4
286.08490	2.9
289.07251	1.4
297.07574	0.9
299.99078	1.0
300.99945	1.9
303.13892	0.9
311.05606	2.1
319.13400	1.3
321.14987	1.0
323.05597	18.9
324.05872	2.0
327.21701	0.9
341.06635	40.1
342.07016	5.3
345.14890	1.1
353.23511	0.9
363.16086	1.2
365.13983	5.0
371.24225	1.2
375.14203	0.9
395.18597	0.9
397.16614	2.5
407.15121	1.3
417.09814	10.6
418.10205	1.1
420.65460	0.8
425.16330	1.6
435.10812	67.3
436.11191	8.2
439.17487	2.5
456.17844	1.8
457.18668	27.4
458.19287	4.2
469.18707	1.3
499.19855	3.0
619.12061	1.5
619.24921	3.6
619.33173	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	619.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.9
60.01548	0.8
61.98702	9.3
71.01249	4.2
71.51505	0.7
71.51933	1.2
72.99164	1.5
73.02806	1.4
75.00755	1.3
81.03297	0.7
83.04870	0.8
85.02811	2.2
87.00745	1.9
88.98667	1.5
89.02310	3.1
93.03336	6.6
96.95879	5.2
96.96839	0.9
97.02846	1.3
101.02339	3.4
103.03904	1.0
108.07326	0.6
109.02824	8.0
113.02352	2.3
117.03355	1.1
119.04849	0.9
121.02866	1.4
123.04391	6.1
125.02348	1.9
133.02815	4.0
135.04488	1.1
137.02335	2.3
145.02846	10.9
147.04329	1.2
149.02336	1.5
150.03122	0.7
151.00279	0.8
151.03922	4.1
161.02281	1.9
161.04509	1.7
163.03928	1.3
169.01292	1.3
171.10210	1.7
172.10413	0.8
173.02295	1.3
174.03137	100.0
175.00281	1.5
175.03902	18.2
177.01852	32.2
178.02222	1.7
187.03906	5.5
189.01851	19.4
189.05389	1.4
190.02617	9.1
191.03391	5.6
191.05409	0.9
195.04445	0.9
199.03979	0.8
201.01897	2.3
201.05310	0.8
203.03436	2.8
205.04956	3.1
209.11774	1.7
213.05544	2.9
216.00597	3.1
217.01364	16.1
218.01947	2.2
219.02907	6.6
225.05588	1.5
226.06340	1.5
227.03520	2.6
227.07140	1.7
229.05075	2.7
231.02963	7.0
238.06332	1.0
239.06989	1.0
240.07788	0.8
241.05016	1.5
243.06796	1.0
251.07121	0.9
253.04990	2.4
254.05922	4.7
255.06589	1.4
259.06049	2.1
259.73981	0.8
265.08798	1.1
266.09467	1.0
269.04630	0.9
271.06110	6.7
279.06607	1.4
281.04434	2.0
283.06061	1.6
285.07706	2.4
286.08490	2.9
289.07251	1.4
297.07574	0.9
299.99078	1.0
300.99945	1.9
303.13892	0.9
311.05606	2.1
319.13400	1.3
321.14987	1.0
323.05597	18.9
324.05872	2.0
327.21701	0.9
341.06635	40.1
342.07016	5.3
345.14890	1.1
353.23511	0.9
363.16086	1.2
365.13983	5.0
371.24225	1.2
375.14203	0.9
395.18597	0.9
397.16614	2.5
407.15121	1.3
417.09814	10.6
418.10205	1.1
420.65460	0.8
425.16330	1.6
435.10812	67.3
436.11191	8.2
439.17487	2.5
456.17844	1.8
457.18668	27.4
458.19287	4.2
469.18707	1.3
499.19855	3.0
619.12061	1.5
619.24921	3.6
619.33173	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	619.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00171	1.9
65.72165	0.7
66.90390	0.7
69.65611	4.3
73.20123	0.8
83.01256	1.2
86.96075	0.6
91.48990	0.6
93.03300	1.0
96.95882	4.6
98.19943	1.1
106.16487	0.7
107.01275	3.1
108.02043	2.3
109.02805	2.3
121.02819	1.3
123.00806	1.2
125.02339	2.1
135.00768	1.5
148.01532	2.1
149.02341	0.9
151.00266	10.9
153.01825	0.8
163.00246	3.1
164.01007	1.0
165.05383	1.3
166.99796	0.7
169.01317	1.7
175.03772	0.7
178.99811	5.3
192.00745	0.8
195.06520	0.8
201.05618	1.2
203.03340	1.1
211.03963	0.8
215.03450	0.7
226.02690	1.9
227.03389	3.0
243.02925	12.9
244.03291	2.0
245.04451	1.1
254.02135	3.3
255.02968	29.7
256.03378	2.9
271.02466	66.2
272.02917	7.0
294.70883	0.7
299.02002	2.7
300.02734	100.0
301.03439	38.9
302.03683	3.2
430.40201	0.7
445.07770	1.2
463.08826	64.8
464.09036	8.1
465.09409	0.8
466.09564	0.8
583.10968	5.0
584.12018	0.8
601.11902	18.0
601.20752	1.3
602.12604	3.1
619.13062	38.4
620.13580	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	619.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03320	1.0
59.01251	10.3
61.98704	14.6
62.39199	0.5
71.01250	5.3
71.52087	0.7
72.99189	1.7
73.02811	2.4
75.00752	1.3
78.95763	1.8
81.03323	0.7
81.45596	0.6
83.01253	1.0
83.04880	1.1
85.02828	3.1
87.00749	1.7
88.98689	2.7
89.02317	3.7
89.03832	0.6
91.01764	0.7
93.03332	9.3
95.01263	0.7
95.04893	1.4
96.95880	7.7
96.96840	1.0
97.06484	0.6
99.00767	1.2
100.72164	0.6
101.02319	4.6
103.03890	0.7
109.02841	10.2
113.02334	2.2
117.03321	2.1
119.03391	1.0
119.04908	1.9
120.99544	0.7
121.02855	1.7
123.04411	8.8
125.02359	3.2
131.03467	0.6
133.02849	4.8
134.03609	0.6
135.00710	0.7
135.02910	0.6
135.04401	1.7
137.02324	1.6
145.02858	15.6
146.03543	0.5
147.04407	2.4
149.02324	2.1
150.03136	1.2
151.03926	6.5
159.04437	1.7
161.02351	3.1
161.04482	1.2
161.05933	1.3
163.03941	1.4
164.04741	0.9
165.01878	0.8
169.01335	0.9
171.10153	2.7
172.10562	1.1
173.04488	0.8
174.03137	40.2
175.00302	1.4
175.03905	6.2
176.01071	1.5
177.01854	43.4
178.02187	2.0
179.03458	0.8
179.05525	0.9
183.04350	0.7
185.06044	0.6
185.11856	0.5
187.03891	3.7
188.04524	0.7
189.01862	28.9
190.02608	11.4
191.03412	6.8
191.05505	2.2
195.04581	0.8
201.01900	2.4
201.05394	1.0
203.03392	3.3
205.04950	4.1
209.11768	3.1
210.12094	2.1
211.03792	0.9
213.05542	0.7
216.00568	4.7
217.01375	25.8
218.01956	2.5
219.02948	8.9
223.06029	1.4
227.03436	1.0
227.07027	1.2
229.05037	3.2
229.08566	1.2
231.02921	9.3
237.05620	0.6
238.06218	0.8
241.05070	2.0
243.06677	1.1
251.07085	1.1
253.05080	1.2
254.05783	1.9
255.06494	1.1
263.11511	0.7
264.04141	0.7
268.04037	0.6
269.04547	0.9
271.06097	10.2
273.07446	0.8
279.06500	1.1
281.04410	1.4
283.06085	2.1
285.07663	1.8
286.08542	1.3
289.07217	2.7
295.06012	0.7
297.07886	1.1
299.99228	0.7
300.99939	2.0
305.04492	1.8
307.10077	0.6
311.05557	3.1
323.05594	25.5
323.09445	1.2
324.06015	1.9
341.06641	65.2
342.06985	5.7
353.23364	1.3
357.03989	0.9
363.15829	0.7
365.13986	1.8
371.24228	0.9
373.25693	1.0
375.14401	1.3
397.16766	0.9
401.09952	0.7
417.04553	1.2
417.09760	13.4
418.10229	1.7
435.10818	100.0
436.11121	15.1
439.18076	0.7
445.09668	0.7
457.18649	10.1
458.18640	1.0
469.19037	1.1
499.19907	1.2
559.27625	1.6
601.21082	0.7
619.13263	1.0
619.26025	2.5
619.33673	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55389	0.2
58.32096	0.2
70.98531	0.6
78.04446	0.3
78.63133	0.3
89.03854	0.3
117.03347	29.6
118.03700	1.0
119.04913	7.6
120.05226	0.5
121.02849	1.8
123.04412	0.5
133.02840	0.6
133.86795	0.3
140.21556	0.2
145.02849	100.0
146.03178	4.5
162.03110	0.6
163.03955	1.4
165.07370	0.3
236.66428	0.3
365.24222	0.3
453.33813	1.3
457.36578	0.3
497.32703	1.7
617.38440	87.6
618.38739	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	619.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.7
59.01249	10.6
61.98697	31.3
65.69119	1.0
69.03329	2.1
71.01246	10.2
71.51114	1.5
72.99181	3.8
73.02815	3.0
75.00739	1.7
81.03323	3.0
83.01249	4.9
83.04865	1.5
83.41420	1.0
85.02802	3.4
87.00745	2.1
88.98677	7.8
89.02325	8.1
93.03355	2.1
95.01255	1.5
96.95882	2.3
97.02804	1.9
99.00792	2.1
99.04425	3.1
101.02315	5.1
102.40232	1.3
109.02847	2.2
113.02323	3.4
119.03364	2.1
123.00799	1.0
123.04453	1.2
125.02331	16.3
135.06593	1.5
137.02327	3.3
143.03346	1.3
149.02335	3.1
149.04477	1.2
159.04469	1.1
161.02344	5.8
161.04433	2.2
167.03400	5.7
171.10077	1.7
175.00279	1.3
175.03986	2.5
179.03352	1.2
182.38274	1.0
190.02606	1.6
191.05481	1.7
203.14330	2.5
205.04988	3.1
209.11632	1.4
221.15446	9.0
234.15604	1.3
249.14922	2.0
251.07095	1.3
274.12042	1.1
277.05096	1.7
279.06534	1.8
285.05392	1.7
286.76144	1.1
297.11816	4.3
300.99918	2.5
301.05002	2.3
307.06143	5.4
310.15259	1.3
314.05728	2.6
315.06595	1.4
316.03497	2.1
317.04626	1.2
319.06216	3.6
329.04538	1.7
330.05182	1.6
331.05960	2.0
338.24081	2.0
338.61975	1.1
339.25339	4.8
363.10556	1.5
389.07751	2.2
403.38538	1.2
405.07529	1.8
407.09500	2.4
417.07596	3.5
421.06946	2.4
423.08554	2.1
424.09369	1.2
431.09436	1.3
433.07126	2.5
435.08789	6.5
436.09363	1.3
439.07706	3.8
441.39642	1.2
447.08810	4.7
457.07208	2.0
463.08176	13.1
464.08939	3.7
475.08173	17.9
476.08896	1.7
481.09229	43.7
482.09628	5.8
487.34164	1.7
493.09360	2.4
548.84155	1.3
557.12585	2.3
560.09619	1.5
601.11694	6.0
619.12415	100.0
619.34845	17.7
620.12762	18.5
620.34900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34694	0.2
69.22395	1.4
69.22805	0.4
98.20579	0.4
98.91206	0.2
117.03343	28.9
118.03596	1.1
119.04910	7.5
121.02851	1.7
122.03210	0.2
123.04417	0.4
133.02850	0.4
145.02846	100.0
146.03181	4.7
162.03108	0.8
163.03905	2.0
249.63484	0.2
293.06424	0.2
402.84875	0.2
439.32037	0.3
453.33716	1.3
471.34750	0.3
497.32587	1.9
498.33047	0.4
573.39606	0.3
617.38422	96.9
618.38733	24.9
647.67548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73455	0.2
62.53001	0.2
63.54496	0.2
81.26032	0.2
89.17072	0.2
98.19781	0.6
117.03345	28.6
118.03629	1.2
119.04917	7.1
120.05183	0.3
121.02851	1.6
123.04427	0.6
128.34526	0.2
133.02855	0.3
145.02850	100.0
146.03186	5.1
160.76906	0.3
162.03113	0.8
163.03920	1.8
255.36099	0.2
338.87314	0.3
391.30447	0.3
453.33939	0.8
497.32532	1.4
498.33282	0.3
573.39429	0.9
617.38422	100.0
618.38770	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16075	0.2
65.22306	0.2
69.99066	1.1
89.03855	0.4
110.64235	0.2
117.03346	29.9
118.03642	1.3
119.04917	5.8
120.05238	0.4
121.02820	1.4
123.04385	0.5
133.02802	0.3
143.58481	0.2
145.02852	93.6
146.03195	4.8
152.99400	0.2
159.12454	0.2
161.51897	0.2
162.03069	0.5
163.03952	1.3
217.25430	0.2
219.64264	0.2
282.91357	0.2
352.68768	0.2
423.28491	0.2
453.33875	1.6
471.35056	0.3
497.32501	0.7
617.38452	100.0
618.38763	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	617.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19608	0.2
51.85312	0.2
70.50903	0.3
70.51241	0.3
89.06421	0.2
94.55977	0.1
108.01037	0.1
117.03342	29.5
118.03621	1.1
119.04911	7.6
120.05220	0.5
121.02851	1.5
123.04440	0.4
127.02338	0.2
133.02827	0.6
145.02847	99.1
146.03181	4.5
147.04404	0.2
162.03136	0.6
163.03922	1.9
192.27284	0.1
194.06921	0.2
280.31281	0.2
423.29010	0.2
439.32153	0.3
453.33752	1.6
469.33807	0.2
497.32858	1.1
571.37476	0.2
573.39307	0.8
574.39319	0.2
617.38422	100.0
618.38733	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	617.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03335	0.8
58.00467	0.5
59.01246	7.3
61.98700	5.3
69.03349	0.4
69.31329	2.7
71.01251	5.5
71.04880	0.5
72.99183	1.0
73.02828	1.4
75.00748	1.4
78.95753	0.7
80.02577	0.6
81.03339	1.0
83.01248	0.9
83.04892	4.2
84.02064	0.8
85.02827	1.4
87.00753	2.0
87.04368	0.4
88.98687	0.4
89.02316	3.9
93.03320	0.9
95.01251	0.7
95.04890	1.0
96.95899	1.2
97.02840	0.6
97.06441	0.5
98.19772	0.6
99.00733	0.6
101.02327	4.4
107.66969	0.3
108.41647	0.4
109.02837	1.1
109.06466	0.4
113.02322	2.8
117.03360	0.4
119.03394	1.3
119.04932	0.4
123.04372	0.8
125.02328	1.3
125.05938	0.6
125.09599	1.3
127.11186	1.9
131.03470	0.7
133.02840	0.4
135.04407	0.8
135.06584	0.4
135.08072	0.4
137.02362	0.5
143.03441	0.9
145.02840	0.8
149.02399	0.8
149.04500	0.4
151.03917	0.7
152.99512	0.4
153.09093	0.8
161.02374	0.7
161.04427	1.6
163.03963	0.5
163.11191	3.7
165.12747	2.4
171.10175	100.0
172.10526	4.8
173.02367	0.4
174.01657	0.3
174.03134	0.7
175.00319	0.8
175.03923	3.0
177.01781	1.8
179.05540	1.0
181.12274	0.4
187.11079	0.6
189.01816	1.1
190.02667	2.0
191.05479	0.3
191.10751	1.0
197.11812	0.4
198.06848	0.3
205.05026	0.8
209.11763	90.0
210.12099	5.7
217.01349	1.0
219.02899	0.4
227.12845	11.0
228.13216	0.6
229.12469	0.5
233.15421	3.6
235.08189	3.5
238.06305	13.2
239.06741	1.0
253.09244	8.1
269.04471	0.4
270.98911	0.4
271.06134	1.0
271.09647	0.7
283.06137	0.4
289.07184	0.3
297.11856	1.4
300.99619	0.7
311.05682	0.5
323.05688	0.6
323.09769	1.0
324.02710	0.6
337.23819	3.3
341.06577	3.0
355.25027	0.3
357.26422	1.8
363.21777	0.5
407.19229	1.5
417.09705	0.6
435.10559	1.6
436.11264	0.4
445.20685	1.3
451.09784	0.4
455.31708	0.5
516.31482	0.4
531.92694	0.4
617.11255	0.4
617.32501	2.0
618.34265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01248	12.8
61.98700	12.4
65.00182	2.0
69.03317	2.2
71.01250	4.9
73.02825	1.2
75.00680	1.0
78.95786	0.9
80.02550	1.0
81.03316	1.8
82.95295	1.7
83.01273	2.6
83.04877	1.0
85.02831	2.3
89.02320	2.9
89.03865	1.0
93.03343	1.9
95.01231	1.1
95.04887	1.4
96.95877	4.7
97.02789	2.2
98.20663	1.7
101.02318	3.5
107.01253	2.3
108.02057	11.3
109.02844	17.4
111.00759	0.9
113.02348	1.8
118.97876	0.9
119.04939	5.0
121.02819	2.0
123.00774	3.3
123.04415	15.3
124.01569	1.3
124.04787	1.0
125.02335	57.6
125.09650	0.9
126.02666	1.9
133.02867	4.1
135.04408	1.2
137.02303	2.8
139.00276	1.1
139.03899	0.8
145.02855	11.3
147.04434	3.7
149.02325	2.8
150.03117	1.1
151.00220	5.0
151.03857	5.5
154.02484	1.1
159.04420	1.4
160.01570	2.2
161.02359	3.5
161.04553	1.8
161.05940	1.4
161.35205	0.9
163.03867	1.8
165.01826	2.4
166.99770	3.9
167.03485	0.9
168.00563	1.7
169.01335	86.0
170.01707	2.6
171.10178	19.8
173.02258	1.3
175.03925	6.0
176.01050	1.8
177.01852	45.5
178.02203	3.4
179.05469	0.9
181.63347	0.9
187.03943	3.0
189.01852	41.3
190.02571	9.6
191.03430	8.0
193.01315	4.7
193.05016	1.0
201.01852	3.3
203.03365	4.9
203.07051	1.3
204.03819	1.3
205.04926	2.6
209.11754	16.7
216.00491	8.2
217.01367	32.5
218.01953	3.9
219.02928	10.9
220.03337	1.1
227.03355	1.1
227.12903	4.4
231.02948	10.3
232.03618	1.3
253.05086	1.3
258.05313	1.1
259.06250	1.9
271.06079	15.7
272.06445	2.0
281.04459	1.8
286.04831	0.9
287.14957	1.1
288.74084	1.1
289.07138	4.4
297.07498	1.5
301.07126	9.5
302.07434	1.3
313.07224	5.0
321.04001	1.1
322.04788	2.4
323.01962	1.0
323.05505	18.7
324.06094	1.5
337.07120	6.9
341.06631	63.0
342.06958	8.2
355.08292	4.1
447.10776	13.7
448.11340	1.8
463.09708	1.3
465.11871	100.0
466.12167	14.9
507.09229	3.4
617.12592	9.0
617.32263	8.1
618.13385	2.0
640.39337	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	617.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01248	12.8
61.98700	12.4
65.00182	2.0
69.03317	2.2
71.01250	4.9
73.02825	1.2
75.00680	1.0
78.95786	0.9
80.02550	1.0
81.03316	1.8
82.95295	1.7
83.01273	2.6
83.04877	1.0
85.02831	2.3
89.02320	2.9
89.03865	1.0
93.03343	1.9
95.01231	1.1
95.04887	1.4
96.95877	4.7
97.02789	2.2
98.20663	1.7
101.02318	3.5
107.01253	2.3
108.02057	11.3
109.02844	17.4
111.00759	0.9
113.02348	1.8
118.97876	0.9
119.04939	5.0
121.02819	2.0
123.00774	3.3
123.04415	15.3
124.01569	1.3
124.04787	1.0
125.02335	57.6
125.09650	0.9
126.02666	1.9
133.02867	4.1
135.04408	1.2
137.02303	2.8
139.00276	1.1
139.03899	0.8
145.02855	11.3
147.04434	3.7
149.02325	2.8
150.03117	1.1
151.00220	5.0
151.03857	5.5
154.02484	1.1
159.04420	1.4
160.01570	2.2
161.02359	3.5
161.04553	1.8
161.05940	1.4
161.35205	0.9
163.03867	1.8
165.01826	2.4
166.99770	3.9
167.03485	0.9
168.00563	1.7
169.01335	86.0
170.01707	2.6
171.10178	19.8
173.02258	1.3
175.03925	6.0
176.01050	1.8
177.01852	45.5
178.02203	3.4
179.05469	0.9
181.63347	0.9
187.03943	3.0
189.01852	41.3
190.02571	9.6
191.03430	8.0
193.01315	4.7
193.05016	1.0
201.01852	3.3
203.03365	4.9
203.07051	1.3
204.03819	1.3
205.04926	2.6
209.11754	16.7
216.00491	8.2
217.01367	32.5
218.01953	3.9
219.02928	10.9
220.03337	1.1
227.03355	1.1
227.12903	4.4
231.02948	10.3
232.03618	1.3
253.05086	1.3
258.05313	1.1
259.06250	1.9
271.06079	15.7
272.06445	2.0
281.04459	1.8
286.04831	0.9
287.14957	1.1
288.74084	1.1
289.07138	4.4
297.07498	1.5
301.07126	9.5
302.07434	1.3
313.07224	5.0
321.04001	1.1
322.04788	2.4
323.01962	1.0
323.05505	18.7
324.06094	1.5
337.07120	6.9
341.06631	63.0
342.06958	8.2
355.08292	4.1
447.10776	13.7
448.11340	1.8
463.09708	1.3
465.11871	100.0
466.12167	14.9
507.09229	3.4
617.12592	9.0
617.32263	8.1
618.13385	2.0
640.39337	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	616.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01535	0.2
59.01251	0.5
61.98700	100.0
62.98404	0.3
71.30022	0.5
78.95755	0.5
80.96409	0.5
88.72893	0.3
99.69363	0.3
117.03380	0.3
124.01546	3.2
139.03909	8.1
145.02870	0.8
152.99463	0.4
158.01292	0.4
164.31261	0.3
212.15044	0.3
224.76512	0.3
255.23285	0.4
280.69229	0.3
300.99915	0.4
553.18671	1.7
616.11493	0.4
617.38220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01243	2.3
61.89491	0.2
61.98701	100.0
62.98398	0.2
71.01261	1.4
73.02829	0.4
74.99002	0.2
75.00742	0.2
78.95769	0.2
79.59530	0.2
83.01257	0.3
83.04927	0.2
85.02832	0.3
87.00777	0.5
89.02328	0.8
95.01295	0.2
95.04905	0.6
96.05276	0.2
96.95913	0.3
101.02350	0.5
107.01283	0.2
109.02850	0.4
110.16392	0.2
113.02332	0.3
119.03416	0.3
120.91389	0.2
123.00801	0.2
125.02341	0.5
133.02861	0.2
133.06659	0.2
135.04414	0.8
136.99072	0.3
137.02362	0.4
145.02774	0.3
151.00279	1.2
152.00632	0.2
161.02388	0.3
161.04558	0.3
163.11296	0.2
169.01404	0.2
171.10187	3.7
175.03925	0.6
177.01901	0.7
179.30896	0.2
181.08681	0.6
182.08992	0.4
189.01929	0.4
191.05649	0.2
197.11786	0.4
201.11253	0.8
203.03273	0.2
209.11768	4.0
217.01355	0.3
221.08202	0.2
227.12912	0.5
240.04236	0.2
245.08250	0.2
253.09384	0.5
255.03038	0.2
255.06671	0.4
271.09830	0.7
287.05615	0.5
288.06061	0.6
293.17636	0.3
297.11951	0.4
310.35577	0.2
323.05624	0.4
336.22772	0.2
337.24173	0.2
341.06769	0.5
417.10071	0.2
435.10797	0.9
595.91504	0.2
616.20844	0.3
616.31226	0.4
617.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3688
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
58.86666	0.3
59.01254	0.5
71.29936	0.7
78.95772	0.8
81.75313	0.4
82.57082	0.3
117.03351	26.3
118.03647	0.7
119.04911	13.9
120.05207	0.5
121.02859	1.4
123.04446	0.9
135.00124	0.4
145.02855	100.0
146.03198	4.4
162.03142	0.6
163.03941	5.7
182.80013	0.4
185.75697	0.4
215.33163	0.4
226.40173	0.4
232.92003	0.4
285.59515	0.4
429.80942	0.4
476.61206	0.4
494.00961	0.4
571.37842	9.8
572.37604	1.8
615.36884	83.0
616.37158	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	616.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21063	0.5
61.98701	100.0
65.68781	0.4
66.77842	0.4
71.49377	0.8
78.42103	0.4
78.95783	0.9
90.10407	0.3
96.44760	0.4
101.61633	0.4
104.72741	0.5
113.95876	0.4
121.02821	0.5
124.01553	4.7
139.03903	10.9
139.04958	0.7
145.02850	1.4
152.99597	0.5
264.03571	0.4
284.75385	0.4
383.66306	0.4
396.08530	0.4
477.02780	0.4
553.18732	8.0
554.19122	1.6
634.13818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02729	0.5
59.01256	4.0
61.98703	6.9
64.17388	0.6
67.01750	1.2
69.29069	0.5
69.80276	0.6
69.80618	3.6
71.01242	1.9
72.70621	0.7
73.02789	0.7
75.00737	0.6
79.95612	1.0
89.02341	1.1
93.03314	0.9
96.95874	3.4
98.19887	1.0
101.02328	1.0
108.02052	0.9
109.02846	1.9
113.02315	1.1
123.04417	0.6
125.02336	1.4
133.85736	0.6
135.04370	0.9
136.01558	2.2
137.02347	15.9
141.54764	0.6
145.02791	0.6
148.65982	0.6
149.02313	1.3
150.03096	1.9
151.00203	1.3
151.03929	1.5
152.01033	0.7
161.02306	0.7
161.04495	0.8
163.03944	1.4
164.01039	3.8
165.01840	100.0
165.05516	2.5
166.02187	4.0
167.03398	0.7
169.01378	1.4
175.03850	1.0
177.01826	0.5
179.03419	26.1
179.06961	0.9
180.04196	61.5
181.04555	3.1
181.08543	1.3
183.10207	1.1
194.05757	5.9
195.02956	2.8
195.06555	74.8
196.06891	3.9
210.05276	12.0
211.05699	0.8
213.32246	0.6
225.07626	65.1
226.08029	3.3
270.08881	1.7
283.09857	1.2
285.11295	1.9
297.07437	0.6
298.08432	0.8
299.09152	1.5
300.02695	2.4
301.10931	0.8
314.08112	1.4
325.10480	0.8
326.07806	0.8
327.12418	2.4
328.13174	5.9
329.10266	4.8
330.10910	1.1
341.10248	4.8
343.15714	1.1
344.12640	6.1
345.13187	1.6
356.12448	2.7
359.14999	16.8
360.15286	1.4
371.14969	12.7
372.15579	1.0
373.22272	0.8
389.15964	1.3
404.95001	0.6
463.09241	0.6
491.17496	1.0
493.18753	0.9
507.16913	1.0
537.20935	4.9
567.22321	38.7
568.22772	6.8
615.23663	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	615.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.2
57.03318	6.1
58.00466	1.4
59.01250	99.8
61.98701	100.0
62.98395	1.3
63.99125	1.0
66.88882	0.8
69.03322	1.7
69.32304	3.2
69.32735	3.9
71.01250	45.3
72.99164	2.1
73.02820	13.2
80.02542	0.9
81.03298	0.8
83.01251	5.6
85.02817	17.2
87.00745	2.5
87.04388	16.7
89.02319	17.6
93.03355	1.0
95.01267	4.2
95.04893	2.6
96.58588	0.9
96.95889	6.8
97.02811	1.8
99.00759	4.9
101.02323	29.1
109.02870	1.9
113.02332	18.8
114.02661	0.8
119.03394	7.4
119.04874	1.0
123.00744	1.2
123.04374	0.9
123.08077	1.3
125.02347	7.3
125.05943	1.2
129.01778	1.2
131.03377	2.0
135.04387	1.8
135.36516	0.8
136.99014	1.0
137.02361	1.3
137.09590	0.9
139.00322	0.8
139.03839	1.0
139.11180	5.2
143.03362	5.0
150.03110	1.0
151.00261	2.0
151.03845	0.9
159.02890	3.5
161.02364	1.9
161.04466	40.6
162.04747	1.4
165.01802	2.3
165.05457	1.6
165.12828	1.0
169.01292	1.4
169.66962	0.9
171.10175	1.1
173.02368	0.8
174.03255	0.8
175.03911	2.7
177.01814	0.8
177.46758	0.8
179.03346	0.8
179.05556	6.8
181.08580	3.3
183.10199	8.4
195.06537	0.9
201.11259	22.4
205.03360	0.9
209.11725	2.5
209.15419	5.3
225.07521	0.8
225.11259	1.5
225.14801	1.1
255.02937	0.8
268.37613	0.9
269.13995	4.8
271.02411	1.8
272.02948	0.9
281.04605	0.8
287.05493	0.9
289.07108	3.6
299.99594	1.1
300.02795	3.3
300.99829	1.5
301.03207	1.2
371.20737	41.8
372.21103	4.8
453.28897	0.9
463.09381	1.2
553.43304	0.9
615.09204	1.8
615.31592	7.8
616.30359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
59.01243	6.1
61.98702	10.5
70.84626	2.5
71.01259	5.8
72.87558	0.8
72.99187	1.5
73.02808	2.1
75.00744	1.0
78.95795	1.3
83.01272	1.0
85.02817	2.4
87.00755	1.9
88.98673	2.4
89.02314	4.5
92.04929	3.5
93.03334	1.3
96.95888	5.1
97.02886	0.9
97.06454	0.8
99.00727	1.2
101.02351	4.2
103.04852	0.9
109.02816	1.0
109.06466	1.1
113.02312	2.2
115.03913	0.9
119.03422	1.3
119.04864	0.9
125.02328	3.1
125.09621	1.3
133.51863	0.7
135.04419	1.0
137.02335	0.9
145.02800	1.0
151.00244	1.3
156.46858	0.7
161.02344	3.0
161.04388	0.8
163.11188	1.1
169.01402	1.4
171.10223	7.5
173.02296	1.4
174.03120	1.9
175.03870	2.5
179.05463	0.9
187.03903	1.9
189.87534	0.9
190.52492	0.7
192.42174	0.7
197.35165	0.8
203.07349	1.5
204.08090	5.7
207.10242	3.9
209.11763	1.3
211.13161	1.1
215.24101	0.8
220.07573	2.5
222.09189	1.6
225.11252	2.1
233.04829	1.7
246.05592	3.6
247.06276	5.5
248.07133	69.8
249.07550	3.7
250.05000	5.4
251.05746	4.8
255.03012	1.3
260.07034	2.1
261.07703	1.0
262.05313	0.8
262.08743	1.8
263.06192	0.8
264.06650	2.7
265.07428	6.6
266.08209	73.0
267.08603	6.8
268.09695	0.9
271.02499	1.6
272.02484	0.8
277.07413	0.8
278.08246	1.9
279.09000	100.0
280.09381	12.0
291.19650	1.1
297.11929	2.2
299.99289	1.1
300.02740	3.2
300.99704	1.7
301.03348	2.1
313.11487	0.9
317.08179	1.2
319.22781	0.9
324.33893	0.9
335.22223	2.7
391.14377	6.2
392.14511	0.9
408.14661	0.9
409.15668	12.7
410.16159	1.7
411.17108	2.0
463.09021	1.4
497.93195	0.9
537.65210	1.0
542.16711	1.4
553.19733	15.0
554.20337	2.7
571.20831	59.2
572.21136	12.5
615.09308	1.7
615.32770	4.1
616.30609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67988	0.6
59.01253	0.6
63.02250	0.7
64.75768	0.7
65.00195	0.7
69.24323	7.3
71.01257	0.7
81.52632	0.6
88.29463	0.6
100.21971	0.6
107.01267	2.6
108.02018	0.7
121.02831	1.3
123.00726	0.7
125.02340	8.4
139.00299	0.7
151.00270	7.5
163.00294	1.5
169.01344	9.1
178.99786	3.3
211.02409	0.7
226.02538	0.9
227.03406	1.4
243.02962	5.4
245.04555	1.2
255.02954	12.9
256.03250	1.3
271.02411	25.4
272.02890	2.5
283.02408	1.9
299.01962	1.2
300.02716	57.1
300.99872	5.8
301.03455	26.3
301.06949	1.0
313.05634	2.9
463.09027	39.0
464.09283	3.9
615.09875	100.0
616.10193	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	615.0991
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
65.00197	0.7
69.47735	4.9
71.01259	1.3
72.54386	0.7
76.72340	0.7
98.19737	0.7
107.01250	2.9
121.02859	0.9
123.00774	2.1
125.02333	10.9
139.00317	0.9
148.01527	1.0
149.85616	0.7
151.00273	10.7
163.00192	1.8
164.01035	0.9
169.01349	16.5
177.01802	0.8
178.99809	6.5
211.02396	0.8
227.03485	1.6
241.03561	1.0
243.02991	4.4
254.02225	1.1
255.00301	1.1
255.02937	16.2
256.03403	1.0
257.04260	0.7
271.02435	32.0
272.02884	3.5
273.03983	1.1
283.02478	1.9
299.01965	1.2
300.02734	100.0
300.99997	2.0
301.03439	42.8
302.03757	2.4
313.05865	4.3
343.04498	0.9
461.16888	0.8
463.08878	60.2
464.09238	7.3
578.84857	0.8
615.09882	99.7
616.10150	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	615.099
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
59.01252	20.4
61.98705	18.7
65.00193	2.2
69.57196	5.6
69.57632	5.3
71.01237	5.4
74.34771	1.6
83.01245	2.3
85.02876	1.6
87.00734	3.4
89.02340	2.0
93.03340	2.4
95.01250	6.7
96.95907	4.1
96.96545	1.7
101.02328	2.7
107.01276	8.2
108.66710	1.5
109.02835	14.8
109.99980	3.0
111.00759	5.8
111.86945	1.6
113.02319	3.8
119.04810	1.7
121.02811	3.7
123.00738	6.9
123.04381	5.5
124.01520	2.2
125.02328	15.2
135.02890	2.8
135.04359	4.2
136.98756	2.5
137.02306	3.8
137.99477	3.2
139.00246	10.2
148.01573	3.2
150.03064	3.3
150.99352	1.8
151.00275	20.8
151.03889	3.6
152.01010	3.3
153.01866	8.7
153.05496	1.7
159.04309	2.1
161.02284	4.7
163.00327	2.4
163.03915	4.5
164.00920	2.2
165.01846	2.9
165.05421	3.0
165.98950	6.5
166.99803	10.9
168.00499	2.4
169.01328	15.7
169.12111	1.8
173.04384	1.6
174.03143	5.8
175.03854	4.9
177.01849	10.8
178.02246	3.1
178.99815	8.7
181.04948	6.4
183.02904	1.7
183.04411	1.8
185.00742	2.3
187.03903	7.3
189.01822	7.3
190.02371	2.0
193.01328	2.3
199.03911	2.9
201.01901	1.7
203.03358	3.0
209.04362	1.7
211.06013	8.7
215.03516	2.6
217.01317	4.4
217.05058	2.1
227.03404	3.6
227.09148	4.1
229.04915	2.3
231.02837	3.2
243.02795	8.2
255.02916	14.8
256.03296	2.7
271.02451	39.1
272.02954	6.8
284.03116	2.4
287.01920	10.8
288.02502	2.9
299.01978	25.5
299.99295	2.6
300.02689	48.6
300.99854	6.0
301.03409	23.4
302.03781	2.0
315.01437	2.6
316.02225	45.5
317.02835	16.1
323.05624	2.2
341.06396	5.0
342.06674	1.9
393.09473	2.2
435.10178	3.6
447.09500	2.5
452.10818	2.3
453.11716	11.8
454.11710	1.9
463.09097	29.8
464.09082	3.4
479.08350	18.9
480.08292	3.0
496.22260	2.1
560.93799	1.9
615.09723	100.0
615.22394	4.9
616.10284	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	614.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63477	0.1
59.01252	4.7
60.01587	0.4
61.01698	0.2
61.98702	100.0
62.98410	0.2
62.99135	0.2
65.37969	0.2
68.99673	0.2
71.01259	0.7
71.51832	0.2
73.02807	0.3
83.01321	0.2
85.02816	0.4
87.00780	0.3
89.02319	0.5
96.95965	0.2
101.02347	0.5
105.01842	0.2
109.02843	0.6
113.02341	0.3
119.03405	0.2
121.02847	0.2
121.10094	0.4
121.75868	0.2
123.00768	0.3
123.04448	0.3
125.02321	1.1
135.04431	0.3
137.02304	1.2
138.03157	0.4
147.19069	0.2
153.01813	0.2
153.05540	0.5
155.07050	0.2
161.02289	0.2
161.04485	0.2
163.00464	0.2
165.01843	1.5
165.09135	0.5
167.03488	0.2
168.04253	0.8
169.01219	0.4
169.04594	0.2
175.00284	0.3
175.03947	0.3
177.01767	0.4
179.05594	0.2
183.10184	1.9
184.10526	1.1
185.10704	0.3
189.02005	0.2
191.03430	0.4
192.04131	0.5
193.01390	0.6
193.04915	0.2
194.01642	0.3
195.06589	0.4
197.11836	0.3
198.12132	0.4
199.12231	0.2
201.11360	0.2
204.79921	0.2
207.06522	0.4
208.03795	0.6
209.04224	0.3
223.06033	1.3
224.06418	0.5
225.07657	0.2
225.11351	0.6
226.11655	0.4
227.11844	0.3
259.02768	0.2
271.02481	0.4
287.01978	0.6
296.13913	0.2
299.02209	0.3
299.99374	0.4
300.02747	0.4
300.99982	0.2
301.03552	0.2
311.55164	0.2
315.01596	0.3
316.02365	0.4
330.03946	0.5
331.04575	4.7
342.10577	0.2
344.12521	0.3
358.91852	0.2
360.15363	0.2
462.08951	0.2
463.08932	0.3
614.23621	1.0
614.32800	0.4
615.09454	1.3
615.31281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95827	3.1
61.98695	13.2
65.91335	2.6
71.50504	5.2
72.56144	3.0
78.95811	4.1
79.95601	3.6
80.96377	6.4
86.56919	2.9
94.35009	3.3
96.55563	2.7
105.06256	3.3
128.49884	3.3
159.04527	3.6
161.02386	14.6
164.03249	3.2
187.03922	100.0
187.05586	5.2
188.04227	8.6
261.05536	4.3
262.75565	3.4
289.05383	3.7
333.04080	8.9
340.89319	3.2
458.90344	3.8
469.33221	17.9
474.09729	3.3
532.09674	4.2
533.10266	11.7
534.10516	5.9
577.09192	13.5
595.10175	25.5
596.10486	8.3
613.12708	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	614.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.5
59.35063	0.2
59.51911	0.2
60.01575	0.5
61.01674	0.3
61.98701	100.0
65.00186	0.3
68.99696	0.3
71.01252	0.9
71.51926	0.2
73.02839	0.3
81.05648	0.2
83.01250	0.2
85.02826	0.3
87.00780	0.3
89.02332	0.6
93.03330	0.3
95.01289	0.2
96.95892	0.4
97.02885	0.2
97.86248	0.2
101.02315	0.7
107.01294	0.3
109.02858	0.8
113.02341	0.3
119.03375	0.4
121.10094	0.2
123.00780	0.3
123.04385	0.3
125.02343	0.8
135.04431	0.6
137.02335	1.5
137.05959	0.2
138.03090	0.4
141.57806	0.2
146.43039	0.2
149.02417	0.2
151.00270	0.7
153.01862	0.3
153.05525	0.7
154.02211	0.2
154.05864	0.2
161.02428	0.4
161.04451	0.3
163.03824	0.2
165.01825	2.0
165.09154	0.2
168.04243	0.9
169.01379	0.5
169.04546	0.2
173.02443	0.2
175.03941	0.2
176.01097	0.3
177.01793	0.4
180.04271	0.2
183.10207	2.5
184.10561	1.2
191.03448	0.5
192.04163	0.6
193.01340	0.9
193.04900	0.3
195.06624	0.3
197.11752	0.4
198.12123	0.3
199.12384	0.3
201.11365	0.2
207.06616	0.7
208.03853	0.5
208.06935	0.3
209.04181	0.3
209.11890	0.2
217.01344	0.3
223.06068	1.5
224.06508	1.1
225.11281	0.8
226.11696	0.7
227.11890	0.3
255.03000	0.2
271.02475	0.4
283.05954	0.2
287.02087	0.8
287.05630	0.6
289.07166	0.2
299.99380	0.4
300.02863	0.6
300.99918	0.4
301.03265	0.3
315.01541	0.4
316.02417	0.6
324.10037	0.2
330.03912	0.5
331.04608	3.9
335.03293	0.2
336.01712	0.2
345.12637	0.2
359.14679	0.2
360.15359	0.3
371.15039	0.3
446.64975	0.2
462.09485	0.2
463.09192	0.4
488.11188	0.3
544.52161	0.2
614.23785	1.0
614.32794	0.2
615.09558	1.4
615.31482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28328	0.6
57.03324	4.0
58.00433	0.7
59.01252	100.0
60.01596	1.2
60.99177	0.9
61.98703	17.1
69.03325	5.5
71.01253	11.1
71.04896	1.4
71.52027	0.9
72.99179	1.4
73.02814	3.0
73.41776	0.5
75.00757	2.4
78.91764	1.2
83.01276	1.2
85.02824	2.4
87.00730	0.7
87.04375	0.6
89.02324	11.7
93.03329	1.6
96.95904	1.5
101.02325	6.3
106.53051	0.6
107.01266	0.6
107.53166	0.6
109.02808	1.2
111.04533	0.7
111.08071	0.9
113.02337	5.3
113.05914	0.7
119.03400	6.3
119.04932	1.6
121.02794	0.7
123.00781	0.6
123.04442	1.2
123.08073	0.9
125.02319	2.7
127.07501	0.8
131.03421	0.7
133.02849	0.9
135.04408	1.2
137.02361	1.6
139.03949	0.7
139.11191	17.4
140.11554	1.3
143.03412	2.1
145.02856	0.8
149.02348	0.9
149.04509	0.5
149.06003	1.0
151.00317	2.3
151.03893	1.0
151.11122	0.9
152.01030	0.8
153.01901	0.7
161.02357	3.0
161.04462	3.5
163.11287	0.7
165.01852	5.5
165.04002	0.9
165.09148	1.3
167.03436	0.9
169.01332	1.7
174.03102	0.7
175.00424	0.7
175.03917	1.3
177.01860	2.4
178.02626	0.8
179.03419	0.9
179.05531	9.0
179.06999	0.9
180.04224	5.1
181.12300	2.3
183.10190	98.9
184.10559	5.0
185.11813	1.7
187.11259	0.7
189.01900	0.8
190.02631	0.7
191.05608	1.8
195.06564	10.9
197.11815	1.9
201.11292	1.7
201.59943	0.5
209.11674	0.8
225.11319	4.6
225.14964	1.7
243.08725	0.7
243.12323	1.3
271.06207	2.7
274.01074	0.8
275.02032	1.0
287.15024	1.2
300.99963	2.0
302.00436	0.7
323.05637	1.1
324.02859	1.2
325.03482	1.0
341.06467	0.8
343.10779	0.6
387.20129	4.5
415.23462	0.9
451.10196	0.8
487.10123	0.9
551.25024	1.4
553.30566	0.8
569.26001	0.7
595.31787	1.3
613.10669	1.1
613.32623	29.7
614.32880	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	613.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81457	0.2
57.03323	9.8
59.01250	100.0
60.01582	1.1
61.98706	3.4
71.01254	4.9
71.01633	0.5
71.04916	0.4
72.99171	0.5
73.02823	1.2
77.51009	0.2
83.01262	0.6
85.02824	2.0
87.00773	0.4
89.02305	2.0
95.01299	0.3
95.04920	0.2
96.95889	0.8
97.02856	0.5
98.20563	0.7
99.00748	0.6
101.02319	3.2
109.02837	0.7
113.02329	2.4
119.03372	0.4
123.04441	0.6
125.02309	1.3
125.05978	2.5
133.02823	0.3
135.04427	0.6
138.06749	2.3
139.11246	0.4
143.03369	0.3
145.02892	0.3
150.03078	0.3
153.01865	0.3
153.09119	5.7
159.02924	0.7
161.02370	0.4
161.04454	4.3
169.01357	1.1
177.01859	0.6
179.05432	0.5
180.04182	0.3
181.08644	1.8
183.10184	62.0
184.10527	3.0
189.01799	0.6
207.13849	0.6
213.05415	0.3
223.09839	0.3
225.14899	10.8
226.15219	0.5
245.14148	0.2
255.02838	0.3
341.06555	0.4
387.20218	10.9
388.20453	1.5
451.10342	0.5
553.30139	3.2
554.30292	0.4
613.10931	0.5
613.30206	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	613.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66644	0.3
55.01747	0.4
57.03316	2.2
58.93992	0.3
59.01250	55.9
60.01593	1.0
61.98700	7.7
69.03346	0.7
69.23431	4.0
71.01250	6.0
71.04881	0.6
72.99197	0.5
73.02817	3.1
74.35686	0.5
83.01253	1.1
83.04868	0.5
85.02814	2.3
87.04370	1.0
89.02320	2.5
93.03309	0.9
95.01253	0.4
95.04912	0.5
96.95882	0.6
98.20568	0.9
99.00819	0.6
101.02324	3.3
108.02087	0.8
109.02818	0.5
109.06499	0.4
111.04404	0.5
113.02312	1.9
113.96338	0.4
119.03384	0.9
125.02379	2.4
125.09607	0.5
127.01291	0.3
127.04021	0.4
135.04437	0.7
137.02359	0.6
137.09592	0.8
138.06789	2.6
139.03932	0.5
139.11179	24.5
140.11545	1.0
151.03886	0.5
153.09116	6.2
159.02888	0.4
161.02295	0.5
161.04486	1.0
163.11203	1.8
165.09099	1.5
167.10712	0.5
169.01305	1.9
169.12245	0.4
175.03947	0.8
179.10593	0.5
181.12262	7.4
183.10184	34.1
184.10542	1.5
185.11771	2.3
189.01900	0.6
191.05544	0.6
197.11790	0.5
199.13373	1.3
201.11182	0.8
207.02985	0.4
207.10173	0.5
207.13860	1.2
208.10780	0.4
209.11772	0.4
225.11339	5.9
225.14883	5.5
226.15279	0.5
227.03419	1.2
227.12730	0.8
243.12401	2.5
255.02971	1.3
272.53528	0.4
284.03391	1.3
285.04095	1.3
361.13208	0.4
387.20334	0.9
424.81766	0.4
461.06775	0.7
595.31287	3.6
596.31494	0.6
613.32263	100.0
614.32587	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	613.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03307	1.4
59.01249	35.8
61.98697	3.2
71.01250	9.0
72.99159	0.6
73.02806	2.4
79.05407	0.4
80.02531	1.9
82.44255	0.5
83.01254	1.0
85.02818	5.2
87.00739	0.8
89.02316	3.5
93.03325	1.1
95.04897	48.3
96.05232	1.5
99.00759	0.7
101.02325	5.2
108.02081	0.5
109.02829	0.5
113.02328	3.4
119.03390	1.5
119.08512	2.4
123.04404	2.2
125.02328	2.1
127.88356	0.4
135.04486	0.6
137.09586	1.1
143.03406	0.6
151.00375	0.6
155.10669	1.1
159.02937	0.5
161.04459	5.3
163.07553	1.9
169.01314	2.0
175.03922	0.6
179.05539	0.9
181.08612	100.0
182.08932	4.4
183.10132	0.9
199.09625	0.5
209.15390	1.1
271.06052	0.6
307.68326	0.4
319.22736	2.7
371.20743	4.3
570.24408	0.5
613.31635	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	613.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.1
59.01247	79.5
60.01571	0.9
61.98700	17.6
69.03305	1.7
69.19611	3.6
69.20028	6.1
71.01247	10.6
71.04892	1.7
72.99191	1.0
73.02826	4.5
75.00749	1.0
83.01280	1.4
83.04890	2.1
85.02828	3.1
87.00758	1.1
89.02312	5.5
92.52984	0.9
93.03323	1.1
95.04917	1.0
96.95924	2.1
98.20585	2.0
99.00791	1.0
101.02318	7.4
109.02807	1.6
109.06487	1.2
113.02335	4.6
119.01286	1.6
119.08508	1.3
121.02869	1.3
121.10114	17.0
122.24899	1.1
123.04397	1.0
123.08058	1.2
125.02351	4.4
135.04390	2.0
137.02362	1.3
138.06746	3.0
138.42992	0.8
139.11151	1.2
143.03387	1.7
147.00835	1.4
149.02327	4.3
150.03102	3.5
151.00319	1.1
153.09094	7.5
161.02469	1.1
161.04474	7.9
163.03923	1.0
164.04684	3.7
165.01830	2.5
165.05473	4.1
165.09117	7.0
169.01335	4.4
173.02574	0.9
175.00299	8.1
179.05443	1.2
179.06934	1.1
180.04250	1.3
183.10178	100.0
184.10536	5.0
185.11768	4.0
190.02646	30.4
191.03081	2.7
195.06554	4.1
197.11758	1.6
198.96452	0.9
199.13274	3.0
205.04990	25.7
206.05402	1.7
209.11769	2.1
215.03452	1.1
223.06081	3.7
225.07600	1.3
225.14877	17.5
225.16862	1.4
227.12825	1.4
301.00073	1.1
324.02579	1.2
329.02863	1.7
387.20181	15.2
388.20575	1.5
408.72247	0.9
490.82617	1.0
553.30963	1.2
565.20685	1.3
577.26483	46.6
578.26752	10.1
613.13684	1.6
613.32526	7.8
626.46893	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	613.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	1.7
61.98795	5.4
70.70352	0.4
71.00984	0.7
71.01357	1.5
71.50912	0.6
71.51308	0.9
78.95860	0.9
79.28880	0.5
85.02905	0.6
88.45450	0.5
96.96019	2.6
101.02435	1.1
105.09945	0.5
109.02988	0.6
111.88910	0.5
113.02466	0.8
125.02448	0.9
136.99136	0.7
137.02411	0.7
142.57741	0.5
151.00407	0.8
171.10327	2.1
175.04077	1.1
197.11787	3.4
207.09683	0.6
209.11813	0.7
223.13472	1.8
243.03075	0.9
255.03117	1.0
271.02451	5.1
285.05710	1.3
299.99429	1.1
300.02670	6.0
301.00055	0.8
301.03540	1.6
313.05136	4.2
314.05814	1.8
319.22827	1.6
337.08755	0.8
345.04050	0.9
349.08725	1.3
365.08118	2.1
366.09152	1.6
376.07504	0.7
377.08380	2.3
378.08759	0.8
393.07657	2.3
394.08371	1.0
395.09564	0.6
403.06091	0.7
404.06976	1.3
405.07568	4.3
406.08255	1.0
421.07214	1.9
422.07776	3.3
423.08554	1.7
431.05804	0.8
432.06290	4.6
433.07095	19.1
433.12988	1.0
434.07443	2.7
449.06790	3.6
450.07407	100.0
451.07971	31.5
452.08456	2.3
463.08881	2.4
504.36163	0.6
613.13220	52.6
613.31171	1.4
614.13544	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	613.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36027	0.4
57.99699	0.3
59.01250	3.1
61.98692	1.5
65.00197	0.9
69.18275	3.0
69.18686	0.8
70.67299	0.4
71.01241	0.8
72.99195	0.5
73.02818	0.6
83.01257	0.5
85.02845	0.4
89.02286	0.5
89.03847	0.5
89.84620	0.4
91.01762	0.6
93.03359	0.6
95.04902	1.1
96.95902	1.0
97.02818	0.5
98.19809	0.6
101.02348	0.4
107.01247	0.9
108.02061	0.7
109.02834	25.6
110.03201	0.8
114.65768	0.4
117.03323	0.9
119.04885	1.2
121.02853	1.1
122.03593	0.5
123.04406	14.5
123.05312	0.9
124.01608	0.4
124.04788	0.6
125.02361	2.1
133.02837	5.4
135.00760	0.6
135.02864	0.9
135.04413	1.1
137.02290	1.4
145.02789	2.0
147.04411	4.2
148.01544	0.4
149.02368	1.9
150.03094	1.7
151.00291	1.9
151.03917	6.4
152.01060	0.5
159.04436	1.4
161.02341	11.5
161.05922	0.4
162.02805	0.9
163.03900	1.2
163.10156	0.4
164.01064	0.5
165.01837	1.1
165.05376	0.5
169.01312	1.1
175.03970	1.0
175.07632	0.4
176.01013	0.7
177.01845	26.6
178.02191	1.3
178.99860	0.5
179.03470	0.9
181.05028	0.4
187.03857	1.9
188.04558	0.5
189.01849	60.1
190.02586	12.9
191.03415	12.8
191.05275	0.6
192.03773	0.6
195.06531	0.9
201.01793	1.1
203.03439	7.2
203.07224	0.5
204.03769	0.7
205.05037	0.5
216.00587	10.5
217.01360	46.7
218.01897	4.8
219.02936	17.8
219.05095	0.8
220.03288	0.8
225.07542	0.8
227.12544	0.5
229.01288	0.6
231.02934	13.0
232.03479	1.3
233.04485	1.7
241.04961	0.6
245.08127	1.0
271.02542	0.5
281.04514	1.8
282.05142	0.6
285.04068	0.4
287.05603	0.4
289.07156	7.0
289.21625	0.4
290.07489	0.5
293.90500	0.4
295.02408	0.4
297.07614	1.4
299.02325	0.6
299.05475	2.1
300.02695	1.1
300.99966	0.7
305.04425	0.6
314.04544	0.4
323.05573	2.6
327.04947	1.2
328.05313	0.6
329.06741	0.4
341.06631	98.3
342.06992	10.8
365.55124	0.4
403.14072	0.4
411.09253	0.3
415.71860	0.4
427.14093	0.5
437.08859	3.6
438.09119	0.4
449.09500	0.7
451.10318	100.0
452.10696	15.4
452.15698	0.4
495.13477	0.4
497.23325	0.4
503.11780	1.7
550.50452	0.4
613.15863	9.0
613.25098	1.1
614.15936	2.1
630.57770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03262	0.6
58.15920	0.6
59.01188	8.7
59.01506	0.7
59.75937	0.6
61.98637	21.1
61.98985	1.4
71.01183	2.6
72.99130	0.7
73.02757	1.0
75.00720	0.9
81.03294	0.6
83.01200	0.9
85.02779	1.5
88.98695	3.3
89.02239	1.9
92.73736	0.6
93.03255	1.6
95.04849	1.5
96.95824	1.0
101.02232	1.6
105.03251	0.7
107.01230	0.8
108.01948	2.3
109.02829	33.7
110.03093	1.1
111.00707	0.9
113.02261	1.2
116.92753	3.4
119.04855	0.9
121.02731	1.8
122.03545	0.8
123.00691	1.1
123.04402	13.9
125.02322	4.0
133.02849	5.3
134.03180	0.6
135.02768	0.9
135.04395	5.9
136.04665	0.9
137.02203	2.1
138.02914	0.6
143.04829	0.6
145.02760	2.1
147.04262	0.9
149.02281	1.6
150.03008	1.7
151.00172	2.3
151.03902	10.3
152.00763	0.7
159.04332	1.0
161.02348	23.2
161.04330	1.2
162.02650	5.3
163.03862	1.2
165.01720	2.4
165.05463	1.2
165.76736	0.6
166.02544	0.9
166.05717	0.7
169.01231	2.7
169.02608	1.0
171.04291	0.6
175.00095	0.6
175.03862	1.4
177.01825	9.9
178.99678	0.8
179.03302	1.8
180.04161	3.0
181.04863	0.9
181.08510	0.9
185.18806	0.6
187.03825	1.5
189.01852	15.8
189.05428	0.6
190.02571	3.1
191.03278	3.1
191.05232	1.0
195.02866	0.9
195.06616	3.7
197.02347	0.8
199.03862	0.6
201.01750	1.2
201.05289	0.6
202.02547	1.6
203.03418	4.2
210.05222	1.5
211.03865	0.7
213.01823	0.6
214.02649	3.0
215.03429	13.3
216.00443	2.1
216.03790	1.1
217.01358	14.1
218.01788	1.4
219.02917	4.4
225.01794	0.8
225.05754	0.7
225.07619	8.5
227.03365	1.4
227.12747	0.8
229.01456	3.6
229.04982	1.4
231.02951	4.3
232.43106	0.6
234.01529	1.7
239.03362	1.5
240.04111	0.9
241.01257	0.8
241.05011	1.0
242.02156	8.7
243.02933	8.4
245.04437	1.0
246.01660	0.9
255.03011	3.2
257.04291	1.5
259.02319	0.9
259.06110	0.6
265.05017	1.5
269.00903	6.9
270.01208	1.0
271.02396	4.8
272.02939	1.2
274.01199	8.0
281.04364	1.6
284.03241	4.5
285.03812	1.9
287.01749	2.5
293.04550	0.9
297.04086	1.3
299.02045	0.6
299.05386	0.9
299.98984	2.3
300.02557	1.9
300.99704	1.8
301.03201	2.3
302.03488	1.2
307.06027	1.9
309.04050	5.9
315.01349	2.6
316.02142	6.1
317.02640	1.4
320.93927	0.7
323.05493	6.0
324.06143	1.8
337.03412	1.0
339.04965	1.0
341.06628	35.1
342.06897	3.1
349.07004	1.0
351.05069	3.4
352.05725	1.5
365.06577	0.9
367.08313	2.9
375.05035	0.8
379.04480	4.4
393.06131	33.0
394.06592	5.5
439.68530	0.6
447.05765	1.2
449.09503	1.0
451.10205	10.3
454.07217	0.6
461.08731	4.4
503.09818	100.0
504.10144	15.7
549.23389	5.8
550.23706	11.1
551.24323	1.8
612.27350	0.8
613.13385	29.8
613.23755	1.7
613.29553	1.2
614.13757	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	613.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
59.01250	4.2
61.98701	9.5
63.02267	0.4
64.82382	0.3
65.00190	4.3
71.01260	3.5
73.02820	1.4
80.49947	0.4
80.96405	0.6
83.01266	1.2
83.02388	0.4
85.02806	1.3
86.89926	0.4
87.00742	0.9
87.04434	0.5
89.00184	1.0
89.02317	1.2
89.91350	0.4
91.01773	1.0
91.31420	0.4
93.03298	2.3
95.01248	1.0
95.04918	0.8
97.02824	4.1
97.15122	0.4
101.02310	2.3
107.01279	1.7
108.02020	0.5
109.02844	4.9
111.00764	1.4
113.02341	1.5
117.73470	0.4
121.02840	15.1
123.00782	1.6
123.04393	0.4
124.01577	1.3
125.02329	17.6
126.02646	0.5
126.14612	0.4
131.03415	1.4
136.98787	0.9
137.02367	0.9
139.00272	1.8
139.03889	1.4
140.01036	1.9
145.02817	0.7
149.02351	1.7
149.99480	1.6
150.03166	0.6
151.00276	2.4
151.03896	0.6
152.00827	0.4
153.01747	0.5
161.02332	0.8
161.04436	0.8
163.00253	1.1
165.01842	44.5
165.09082	0.5
166.02200	1.9
168.00601	2.5
169.01335	24.8
170.01651	1.1
174.03151	0.5
175.03928	1.9
177.01859	0.5
179.03375	1.0
181.08643	0.9
183.02946	0.7
183.10178	0.7
185.11765	1.6
191.03363	0.5
192.00658	0.5
193.01355	6.5
195.06621	0.4
199.04056	0.4
203.45010	0.4
207.02840	0.7
209.11723	2.0
215.03387	0.5
226.02632	2.4
227.03398	1.1
228.04294	1.4
243.02953	4.8
244.03656	0.9
254.02226	3.1
255.02937	4.1
256.03641	1.2
259.06094	1.1
269.04456	1.4
271.02475	22.4
272.03079	2.8
285.04132	0.8
287.05634	2.2
297.06265	9.1
299.02008	7.2
300.02704	15.9
301.03235	1.2
314.04251	7.3
315.05087	100.0
316.05453	8.2
327.06583	0.5
333.20581	0.6
335.00897	0.4
348.94257	0.4
405.07651	0.5
419.09698	0.6
422.07990	0.9
450.07440	1.7
451.08417	1.4
461.10883	5.6
481.31897	2.9
612.27100	0.7
613.11951	62.7
613.33087	2.7
614.12207	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	613.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01472	0.2
59.01250	2.2
61.04937	0.2
61.98699	4.7
63.02270	0.2
63.81631	0.2
65.00187	3.6
69.03298	0.2
69.21471	0.3
69.21876	2.0
71.01236	1.5
73.02825	0.7
74.99004	0.2
83.01276	0.4
85.02843	0.4
88.98685	0.4
89.00216	1.0
89.02315	0.5
91.01769	0.7
93.03326	1.7
95.01270	0.2
96.95910	0.3
97.02239	0.4
97.02814	3.0
101.02341	0.5
107.01262	0.6
109.02834	3.6
113.02348	0.5
119.01242	0.2
121.02840	14.0
122.03168	0.6
123.00779	0.5
124.01554	0.3
125.02374	1.0
135.04419	0.3
136.99034	0.3
137.02364	0.4
139.03894	0.8
148.01596	0.2
149.02354	1.4
149.99454	1.4
151.00278	1.3
151.03911	0.4
161.02301	0.6
161.04506	0.4
163.00290	1.4
164.00900	0.2
165.01839	37.6
165.09038	0.3
166.02167	1.8
169.01352	0.6
174.03215	0.5
174.93324	0.2
175.03912	1.6
177.01883	0.3
179.03331	0.3
183.02919	0.5
185.11761	0.8
189.01904	0.3
190.02728	0.5
190.99728	0.5
192.00546	0.5
193.01343	4.9
198.03040	0.3
199.03995	0.3
200.04649	0.3
205.05023	0.2
206.02130	0.2
207.02924	0.8
209.11786	0.9
226.02606	1.8
227.03433	1.0
228.04257	1.2
239.03641	0.3
241.05257	0.3
243.02937	3.6
244.03668	0.8
254.02144	1.9
255.02895	2.7
256.03662	0.9
259.06100	1.1
259.13397	0.3
269.04611	1.0
271.02472	14.5
272.03107	2.5
283.02545	0.3
285.04181	0.3
287.05600	2.2
297.03854	0.5
299.01974	0.6
300.02722	13.1
301.03064	1.2
303.12225	0.2
314.04373	0.5
315.05084	100.0
316.05423	9.5
319.22757	0.5
333.20721	0.3
359.28043	0.5
425.97250	0.2
461.11340	0.3
613.12115	5.5
613.22632	0.5
613.33368	1.9
614.12469	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	613.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.7
59.01242	6.9
60.99167	1.5
61.98699	14.1
62.06807	0.6
65.00214	1.0
67.01746	0.8
68.72290	0.6
69.03326	1.5
69.15115	5.5
69.15522	2.2
71.01246	7.3
72.99190	1.1
73.02779	1.0
75.00726	1.1
79.01746	0.9
83.01242	2.9
83.02397	0.8
85.02816	2.3
87.00771	1.3
88.98663	3.6
89.02309	1.8
91.05477	0.7
93.03284	1.2
95.01253	2.0
96.95882	3.1
97.02811	2.0
101.02306	3.1
107.01260	10.4
108.02056	1.2
109.02849	3.2
111.00755	2.8
113.02316	1.9
116.92747	2.3
117.03385	0.7
119.04868	1.1
121.02819	1.8
123.00790	6.4
123.04369	2.1
124.01583	1.9
125.02335	64.9
126.02657	2.3
133.02861	2.5
135.04407	3.1
136.01506	0.7
136.98700	1.0
137.02339	2.4
139.00270	3.9
139.03888	2.3
139.05362	0.8
140.01003	1.9
141.03363	0.7
142.20215	0.7
145.02882	1.3
149.02307	2.8
150.03090	1.9
151.00264	7.4
151.03876	2.8
152.00998	0.6
153.01810	2.5
159.04337	0.7
161.02367	5.9
162.02968	0.9
163.03891	1.8
163.07561	0.9
165.01826	3.1
165.05458	3.0
165.98946	1.3
167.03423	1.1
168.00598	3.3
169.01331	72.9
170.01637	2.1
173.04495	1.2
174.03117	1.2
175.00220	1.0
175.03891	2.0
177.01872	5.6
178.99825	2.0
179.03386	1.7
180.04178	1.5
181.01274	0.8
181.04959	1.4
183.02905	2.7
183.04431	1.4
184.04955	0.9
187.03958	1.0
189.01833	3.0
190.02577	1.8
191.03317	0.9
191.05518	1.8
195.06531	3.2
199.03896	2.0
205.01292	0.7
205.04964	1.7
211.04019	3.4
215.03307	0.8
217.01256	0.9
225.07562	2.9
227.03487	6.9
239.03452	18.7
240.03864	1.3
241.03374	3.2
243.02986	0.9
245.04352	0.9
255.00237	1.4
255.02956	28.9
256.03613	6.7
265.04852	0.7
267.02863	1.4
269.04462	0.9
271.02460	2.8
283.02499	11.5
284.03235	21.5
285.03964	10.8
286.04376	1.9
287.15216	0.7
297.03781	1.0
298.98096	0.9
299.05603	3.2
299.98953	1.9
300.02716	4.0
300.99902	1.6
301.03482	1.9
303.04984	1.2
304.05441	1.6
305.05539	1.9
313.05606	19.6
314.06070	1.0
315.01392	1.2
315.04736	0.9
341.06522	2.2
393.05930	1.7
431.15274	1.4
447.09714	1.0
451.10391	0.9
461.11020	1.3
487.10291	1.6
503.09811	2.0
549.23181	1.4
550.23621	2.8
553.10553	1.1
565.20758	1.1
577.29028	0.7
598.09467	1.5
613.11938	100.0
613.24750	4.4
614.12292	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	613.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68655	0.9
59.01263	4.1
60.99187	1.3
61.98700	1.4
65.00185	2.0
71.01250	1.9
78.08427	0.8
83.01267	1.2
85.02780	0.8
88.98681	9.2
94.42043	0.8
95.01257	1.0
96.95914	1.3
98.20634	1.8
107.01265	3.7
108.02094	1.8
109.02834	2.5
121.02854	2.7
123.00758	2.5
123.04408	1.2
124.01566	1.1
125.02328	3.1
135.00783	1.5
135.04410	2.6
148.01587	2.4
149.02397	0.9
151.00284	14.9
152.00780	1.5
153.01880	1.9
161.02315	1.3
163.00284	3.4
163.03883	1.3
164.01030	1.3
165.01906	0.9
166.02643	1.9
167.03087	1.0
168.00508	0.8
169.01315	3.8
177.01895	1.2
178.99776	6.4
179.03412	1.3
181.04961	5.5
182.05281	2.4
187.03905	0.9
189.01784	0.9
190.02635	1.2
190.99713	1.1
191.03114	1.1
199.04013	1.2
205.04982	1.2
211.03998	2.1
215.03491	1.3
226.02748	2.1
227.03436	3.6
229.01389	1.3
231.02805	1.0
243.02937	13.4
244.03448	2.1
254.02179	2.6
255.02983	33.5
256.03384	3.0
271.02466	70.3
272.02924	7.1
273.04135	1.1
297.06473	1.2
299.02130	4.3
300.02744	100.0
301.03403	36.6
302.03775	2.8
309.61517	0.9
315.05118	2.2
328.43228	0.9
404.70316	0.8
433.07736	1.7
463.08844	15.6
464.08984	1.1
481.07581	1.5
495.22635	0.8
523.21851	18.4
524.22229	2.4
533.09296	1.0
613.12000	67.5
613.24597	4.2
614.12323	14.3
614.22736	1.4
636.86072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70938	0.3
57.03327	0.3
59.01244	2.5
61.98701	73.7
71.01248	1.8
71.93890	0.3
75.00740	0.5
81.03360	0.4
81.11374	0.3
85.02817	0.6
87.00750	0.5
87.65685	0.3
88.98706	0.4
89.02328	0.8
95.01310	0.3
98.19858	0.9
101.02332	1.0
107.01266	0.6
109.02828	2.7
109.78749	0.3
113.02342	0.9
117.03352	1.2
121.02918	0.4
123.04401	1.2
125.02327	0.9
132.02058	1.0
133.02847	24.9
134.03439	0.7
135.04405	8.9
136.04704	0.4
137.02271	0.7
138.06735	0.9
139.03905	0.3
149.02307	0.5
150.53302	0.3
151.00276	1.4
151.03911	0.4
153.09106	1.7
161.02345	97.7
162.02684	4.7
165.01852	0.3
169.01346	0.6
173.58058	0.3
174.03236	0.3
174.45212	0.3
177.01817	0.8
177.05461	0.3
178.02744	0.3
178.99817	0.5
179.03421	5.9
180.00189	0.4
189.01903	1.1
202.59671	0.3
203.03429	0.6
215.03517	0.9
217.01419	0.9
221.04530	0.3
225.07552	0.3
225.14909	1.1
229.01389	0.4
231.02859	0.5
242.02136	0.8
243.02913	0.9
255.02945	0.6
271.02478	1.4
272.02884	1.0
274.01266	0.5
287.02011	0.9
297.04022	0.3
299.99094	1.0
300.02737	2.1
301.03271	3.5
302.03732	1.7
314.03970	0.4
316.02127	2.7
316.05423	0.5
329.54044	0.4
341.06638	2.4
393.06439	1.6
447.09552	0.9
448.09720	2.4
449.09689	0.4
451.10428	0.4
466.09210	0.4
503.09830	8.6
549.23383	100.0
550.23773	16.5
612.14313	1.8
613.12885	4.1
613.23425	0.4
613.26501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53125	0.8
57.03312	4.8
58.00463	1.3
59.01248	100.0
60.99138	1.1
61.98696	12.4
64.13459	0.8
71.01252	8.3
71.51577	0.9
72.99166	1.5
73.02814	2.0
75.00744	2.9
78.57538	0.8
83.01252	1.9
85.02819	2.4
88.98661	5.3
89.02308	5.9
93.03249	0.9
95.01279	1.2
96.95885	2.0
97.06515	1.7
101.02328	5.0
101.68871	0.8
105.01789	1.2
107.01276	1.1
109.02845	1.9
113.02336	4.9
116.92747	1.6
117.03371	0.9
119.03361	4.3
121.02863	1.3
121.06497	1.9
123.00774	0.9
123.04374	3.0
123.63279	0.8
125.02331	3.7
125.05938	2.1
133.01340	1.9
133.02815	2.6
134.03653	0.8
135.04419	12.3
137.02310	2.0
139.00218	0.8
139.07547	13.1
145.02846	1.8
147.04349	2.3
149.06023	0.9
151.00273	6.1
151.03944	1.2
159.04401	2.1
160.01529	1.5
161.02335	5.4
161.04449	2.3
163.03885	1.0
163.49365	0.8
165.01819	2.1
165.09102	1.0
167.03323	1.3
167.07059	13.5
169.01320	2.0
173.02379	0.9
175.03876	3.5
177.01865	2.0
179.03360	2.0
183.10184	39.9
184.10464	2.7
189.01836	1.4
190.02666	1.2
191.03415	1.0
193.01268	1.3
195.06635	1.1
197.04407	2.1
197.11771	14.6
203.03389	2.1
205.12186	0.9
217.01189	1.0
223.13326	6.9
225.05595	0.9
225.11272	27.1
226.11443	1.1
229.01367	3.2
231.02890	1.2
235.13264	1.7
237.11261	1.1
237.14890	2.5
243.06612	1.6
255.12318	7.2
257.00885	2.8
257.08044	2.5
258.01590	1.2
259.87442	0.9
265.14420	3.1
275.01999	10.6
285.13559	4.2
287.05637	1.7
300.99902	21.2
301.03186	1.2
302.00238	1.5
323.07608	2.0
330.99326	1.3
331.24863	3.3
346.01401	2.2
361.03821	3.1
413.21756	1.1
435.10733	1.3
449.10721	1.3
523.09088	2.1
567.24377	1.0
611.10950	8.9
611.29547	3.4
612.11084	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	611.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.9
58.00459	1.2
59.01249	100.0
60.16963	1.3
61.98707	8.1
62.68710	0.9
63.72152	0.9
69.03319	3.6
71.01256	7.6
73.02821	2.8
75.00759	1.8
78.95721	1.0
83.01255	2.0
83.04893	1.8
85.02829	2.7
87.00725	1.3
87.04394	1.9
89.02289	4.5
93.07011	1.3
95.01266	1.2
95.04890	1.2
96.95865	1.8
97.06438	1.5
101.02330	8.6
108.02016	1.5
109.06509	1.6
111.08028	1.1
113.02318	3.1
119.03419	4.9
121.06499	1.0
123.08064	1.4
125.02280	1.3
127.07574	6.9
135.04427	1.6
137.02345	1.2
137.05997	6.5
139.11169	9.6
149.05927	1.4
151.03889	1.0
155.07037	5.1
161.02342	2.4
161.04456	2.1
163.11079	1.2
165.09100	3.0
167.10854	1.0
169.01311	1.1
179.10640	1.6
181.12259	1.2
183.10185	65.8
184.10521	3.4
191.05472	1.1
197.11758	24.5
198.12048	2.1
205.05040	1.3
205.12138	1.0
205.90121	0.9
207.10272	4.5
223.13365	11.0
224.13690	1.2
225.11269	32.5
226.11624	2.1
229.67520	1.2
235.13358	2.6
237.11186	1.4
237.14958	2.8
243.12361	9.9
247.13309	2.6
255.12308	3.3
264.50711	1.0
265.14435	6.1
285.13391	6.3
315.14392	1.3
318.02850	1.2
345.15564	3.6
405.17813	5.0
464.95621	1.2
611.15887	1.6
611.30670	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	611.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27427	0.3
53.13220	0.4
57.03316	1.8
58.00472	1.7
59.01250	100.0
60.01581	0.9
60.75253	0.4
61.98716	1.2
69.03323	2.4
69.33376	3.7
71.01256	5.1
71.04908	1.1
72.99178	0.4
73.02834	1.1
75.00767	0.9
79.15645	0.4
81.06982	0.9
83.04896	0.4
85.02838	1.7
87.04415	1.3
89.02348	1.9
90.09451	0.4
93.06967	1.9
95.04920	0.7
97.06464	0.6
99.08038	0.6
101.02329	2.5
109.06492	2.4
111.08035	2.3
113.02318	2.3
119.03416	0.9
122.25851	0.3
123.04427	0.5
123.08088	1.6
125.02349	0.7
125.06004	1.3
127.07542	8.9
128.73799	0.4
133.10063	0.4
137.05988	7.4
139.11180	2.5
147.74190	0.3
151.11165	1.0
155.07056	7.3
161.02426	0.5
161.04497	1.2
163.11147	0.7
165.09164	2.6
167.10719	0.7
169.12283	0.6
179.10718	1.1
183.10188	37.2
184.10521	1.8
195.10168	0.5
197.11766	32.7
198.12091	1.8
207.10199	2.8
208.10739	0.5
217.02699	0.4
225.11273	44.1
226.11617	3.2
237.11360	1.0
242.89302	0.4
243.12506	0.8
255.12347	5.5
255.50862	0.4
279.12466	0.6
285.13416	4.3
307.24438	0.4
345.15552	1.0
405.17789	0.5
611.15649	0.4
611.30914	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	611.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77582	0.6
57.03315	2.6
58.00455	1.7
59.01249	93.3
60.01561	0.6
61.98701	5.0
69.03326	1.0
69.26955	6.7
71.01251	9.7
72.38131	0.6
73.02814	2.1
75.00735	2.0
81.06961	1.2
83.01247	1.0
83.04889	1.3
85.02817	2.4
87.04393	1.5
89.02326	2.2
90.32928	0.6
95.01224	0.8
96.95891	4.9
96.96806	0.6
97.02796	0.8
98.20512	1.4
101.02308	6.8
105.06974	0.7
107.04858	1.0
109.06519	0.8
113.02312	4.5
113.68131	0.6
119.03386	2.5
121.10108	4.6
123.04404	0.9
125.02337	1.9
133.10114	2.3
137.09637	0.7
139.11201	2.0
145.10100	1.7
149.09581	1.2
151.11188	3.4
153.09135	0.9
161.04417	2.7
161.09624	2.8
163.11214	4.1
165.09074	1.5
166.52431	0.7
167.10719	2.0
177.09114	1.8
179.10692	6.5
183.10181	100.0
184.10497	5.6
189.09081	1.8
197.11761	20.9
198.12047	1.2
205.12271	1.0
207.08359	1.3
207.10190	17.6
208.10481	1.1
223.13306	0.9
225.11270	41.5
226.11592	2.5
237.11299	7.7
243.12372	1.2
255.12355	6.0
256.12708	0.9
267.12360	0.9
279.12341	1.4
285.13443	2.7
300.99762	1.1
320.43069	0.7
345.15372	0.8
385.18350	1.0
607.35242	0.7
611.29913	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.6
58.00471	1.2
59.01249	100.0
60.01593	1.3
61.98702	3.4
69.75316	0.4
70.91393	0.5
70.91722	0.7
71.01254	6.5
72.99196	0.5
73.02818	2.2
75.00745	1.2
83.01271	1.2
85.02821	1.9
87.00755	0.7
89.02316	3.5
89.97382	0.4
95.01270	0.7
96.95895	0.5
101.02328	5.6
105.01775	0.6
111.07993	0.6
113.02329	3.5
119.03387	3.1
119.04839	0.4
120.78719	0.4
120.99534	1.3
121.02850	0.5
121.06478	1.0
125.02306	0.8
125.05995	2.0
133.02864	1.0
135.04402	1.9
137.02336	0.5
137.98639	0.3
138.98439	0.4
139.07541	11.1
140.07831	0.7
143.03412	1.1
143.04956	0.5
149.05919	0.6
151.00514	0.4
161.02341	4.4
161.04425	2.3
161.05632	0.4
165.01820	0.4
167.07048	7.7
177.01836	0.4
179.03375	1.1
181.12318	0.6
183.10188	28.3
184.10490	1.3
195.02255	0.4
197.11757	11.4
198.11946	0.4
207.13866	0.5
209.11757	0.9
223.13507	0.4
225.11269	26.5
225.14833	1.3
226.11603	1.9
227.12830	4.8
237.11169	0.5
255.12346	9.5
256.12576	0.8
269.13785	0.5
273.13229	0.5
285.13458	5.1
286.13885	0.5
287.14981	0.6
300.99860	0.7
301.19952	0.4
327.14514	0.6
345.15417	1.4
383.13116	0.6
438.09180	0.9
549.23315	3.7
593.25726	1.0
611.27020	16.6
612.27625	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	611.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.2
57.03318	4.8
59.01250	57.5
60.01601	1.3
61.98704	42.3
66.91940	0.7
69.03349	1.2
71.01252	14.1
71.04881	1.8
72.99201	1.9
73.02824	4.4
75.00751	2.2
78.95795	2.0
80.96395	0.8
81.03303	0.8
83.01285	2.8
83.04896	1.8
85.02825	5.3
87.00764	3.9
87.04406	1.0
88.98695	2.7
89.02311	5.9
93.03355	1.8
95.01276	1.9
95.04925	1.1
96.95898	4.1
97.06464	1.3
99.00772	1.3
99.04413	3.0
101.02319	9.1
107.01288	1.2
108.02087	0.9
109.02869	3.1
109.06516	1.0
111.00762	1.0
111.04383	1.1
111.36791	0.8
113.02331	5.5
119.03413	1.8
119.04939	1.5
119.08584	2.9
121.02849	2.1
121.06547	1.1
122.03711	0.7
123.00820	1.8
123.04408	4.8
123.08025	1.1
124.04746	1.2
125.02336	12.3
126.02663	1.7
133.02870	1.5
133.10161	1.1
134.03726	1.1
135.04422	4.9
135.08047	3.1
137.02377	2.5
137.09622	12.9
138.03075	0.7
138.06793	4.1
138.10008	0.8
139.03865	0.8
143.03441	0.8
145.02873	1.5
148.05289	0.9
149.02345	1.5
151.00305	3.6
151.03947	3.3
151.07536	4.9
152.01004	1.7
153.01843	1.0
153.09122	14.8
154.99847	0.8
159.04414	1.6
161.02357	4.9
161.04494	2.5
161.05734	0.7
161.09618	4.9
163.04021	0.9
163.07539	8.3
164.04678	1.1
165.01830	4.0
165.12851	0.9
166.02483	0.9
167.03400	8.8
168.03833	3.2
169.01363	2.0
171.10228	0.7
174.03191	0.8
175.00349	1.2
175.03990	2.8
176.01033	0.7
177.01932	2.3
179.03445	2.3
179.05695	0.9
179.07108	1.7
179.10712	5.3
180.04192	1.1
181.05026	2.3
181.08615	10.3
182.09062	1.1
183.10220	2.6
189.01831	1.3
190.02679	3.0
191.03491	0.9
191.05447	1.2
193.01460	1.4
195.02821	1.0
195.06590	3.1
197.11833	2.2
203.03429	0.8
204.99675	0.8
205.05025	3.5
207.10355	0.9
207.13875	1.8
209.11848	1.7
217.01311	0.8
223.06088	2.0
223.09711	4.6
225.11343	3.2
225.14932	13.7
226.15312	1.0
227.03508	1.0
227.12811	5.6
228.13213	1.3
229.01503	1.2
243.12410	2.8
269.13925	1.2
275.02057	1.3
287.14999	9.2
288.15375	2.6
289.15659	1.4
296.87045	0.8
297.11841	1.3
300.99976	4.3
301.03159	0.8
304.23093	0.7
313.07153	2.4
331.24988	3.4
341.06689	0.8
345.15634	2.0
361.03772	1.0
385.13022	3.5
386.13174	11.2
387.13632	1.5
387.20239	3.5
389.18359	2.5
405.17599	3.8
419.08020	1.3
435.03464	1.5
436.03806	0.9
449.20377	2.4
450.20901	1.7
451.20917	2.0
479.10083	3.1
521.27539	1.5
548.21875	1.0
549.24078	2.2
585.58386	0.8
593.29761	1.4
611.13898	5.8
611.30835	100.0
612.14978	1.5
612.31244	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	611.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41839	0.6
57.03319	0.9
58.93985	0.6
58.99482	1.5
59.01249	39.1
61.98713	3.1
67.21432	0.6
69.35900	5.1
71.01252	5.4
72.99208	0.8
73.02822	1.1
85.02801	2.4
88.98682	2.6
89.02312	2.1
93.03307	1.0
95.01291	0.9
96.95888	2.0
97.20315	0.7
99.04339	0.6
101.02325	2.7
102.98484	8.5
109.02814	1.0
109.27525	0.6
113.02308	2.1
119.01247	1.9
119.04901	0.8
121.02816	1.5
123.00753	4.2
123.04390	0.9
125.02318	1.9
133.02959	1.1
135.02850	0.7
135.04451	1.8
138.06755	2.2
147.00795	1.0
147.04497	0.7
149.02345	8.1
149.09616	1.7
151.00275	36.8
152.00632	0.9
153.01772	0.8
153.09122	4.3
161.02368	2.4
161.04492	0.7
163.00542	1.4
163.03929	1.9
164.04680	7.2
165.01848	2.9
166.02621	59.9
167.02966	2.1
167.10706	2.0
175.00270	10.1
175.03891	0.9
176.00853	0.7
177.01871	1.6
177.05435	0.7
179.03429	0.9
179.07016	1.6
179.45784	0.6
181.04977	100.0
182.05296	4.9
189.01965	0.8
190.02629	26.3
191.03148	1.8
205.04994	28.2
206.05518	2.2
208.03749	1.0
209.04402	1.5
221.08118	1.7
223.06084	11.2
225.14893	6.2
265.07117	4.5
271.02411	1.5
281.41266	0.7
299.01978	1.4
300.02863	1.0
301.03220	0.8
362.07959	0.8
367.05518	0.6
369.19058	2.9
373.03674	0.9
391.05298	0.7
418.03275	1.2
419.03958	2.5
429.21091	1.1
449.12772	0.9
479.05933	1.0
551.08173	3.3
593.26007	7.2
611.11517	2.9
611.27057	32.3
612.27411	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	611.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03317	2.1
59.01249	100.0
60.01548	1.2
60.31676	1.3
61.98692	1.1
69.38774	8.3
71.01255	24.3
72.99173	3.3
73.02834	6.9
75.00739	3.0
83.01257	7.1
85.02833	5.7
87.00716	2.8
88.98629	1.2
89.02315	17.8
93.03327	2.0
95.01271	3.1
96.95867	3.3
97.02831	1.9
99.04388	3.1
101.01704	1.6
101.02319	19.5
107.01260	1.2
109.02818	2.6
111.00790	1.2
113.02322	10.1
119.03397	5.8
119.04887	6.0
121.02816	1.4
123.04388	1.3
125.02305	3.4
131.03363	3.4
133.02812	1.0
135.02875	5.5
135.04346	2.2
135.98210	1.0
137.02333	1.1
143.03442	1.3
149.02301	3.4
149.04424	1.2
151.00264	4.1
151.03876	1.2
152.00949	1.0
155.03374	1.1
161.02296	2.1
161.04466	2.3
164.04552	1.3
165.01855	2.3
165.12756	1.0
167.10789	1.3
169.01265	2.2
175.00233	2.5
177.01758	1.6
179.03389	3.1
179.05504	3.4
187.03873	1.4
189.01860	1.6
190.02689	5.3
195.06654	2.0
199.56409	1.2
199.85811	1.1
205.05038	5.3
207.13817	6.5
209.11742	9.3
213.05597	1.1
217.01273	1.4
223.06042	3.4
225.14908	14.7
227.03442	1.2
227.12833	59.8
228.13083	4.3
243.02940	3.3
251.12781	1.6
254.02251	1.3
255.02950	2.5
269.04440	1.6
269.13931	14.4
271.02432	13.0
283.02286	1.6
287.14993	78.7
288.15341	6.3
293.14041	1.4
297.03940	2.8
299.01984	2.9
300.02713	16.7
301.00082	2.0
301.03406	12.1
302.03741	1.3
311.15155	2.0
326.04218	3.4
327.04990	3.4
329.15942	4.6
341.10876	7.1
359.17075	4.3
367.10516	2.0
389.06909	1.3
389.18167	15.6
413.17209	1.2
431.19049	3.1
447.09286	27.7
448.09641	3.7
449.20273	40.4
450.20667	5.1
463.25519	1.4
473.10944	5.8
495.22189	3.0
521.22565	4.6
551.23621	1.8
563.17493	2.9
581.24530	4.5
593.24701	3.0
611.14655	4.1
611.25427	54.8
612.25684	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	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88395	0.4
59.01249	100.0
60.01588	1.4
61.98708	0.9
69.56447	0.7
69.56842	2.8
71.01269	1.2
72.66981	0.4
73.02802	0.4
75.00749	0.8
85.02828	0.5
88.98701	0.6
89.02358	0.6
93.03362	0.5
96.95895	1.3
98.19801	0.6
100.27682	0.4
101.02319	0.7
107.51083	0.4
109.02824	0.8
113.02325	0.4
114.27304	0.4
115.00299	0.4
121.02935	0.5
123.04439	0.6
125.02358	1.0
135.02882	0.7
135.04486	0.8
137.02345	0.5
140.01038	0.5
149.02380	0.7
151.03851	0.5
161.04477	0.8
163.03937	0.7
164.04752	1.0
165.01793	0.5
169.01367	0.5
175.00319	0.4
175.03960	1.1
177.01915	1.3
190.02765	0.9
192.04128	0.6
198.05045	0.4
199.43979	0.4
205.05038	1.1
223.06201	0.7
270.09183	0.6
284.07114	0.4
285.11444	1.0
287.15234	0.4
299.09186	0.7
313.10806	0.4
314.08145	1.4
326.08279	0.7
329.10193	2.7
341.10312	2.7
344.12622	4.3
345.13077	0.6
356.12784	1.2
359.14987	13.4
360.15445	1.3
371.14981	8.0
372.15396	1.1
389.15894	0.4
435.07303	0.5
511.20377	0.5
611.24792	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01189	2.9
61.98639	3.9
63.02195	0.6
65.00139	1.1
69.23637	4.1
71.01253	2.0
73.02769	0.7
74.00522	0.9
78.95717	1.6
79.95598	3.6
80.96385	2.6
83.01197	1.5
83.04817	0.4
85.02776	0.7
89.02280	0.6
93.03261	0.4
94.97889	0.4
96.95885	11.3
96.96561	0.5
96.96780	0.8
101.02226	1.2
107.01266	2.7
108.02055	3.8
109.02856	2.4
113.02272	0.6
113.98484	0.4
121.02800	0.9
123.00704	0.4
125.02265	0.9
128.67889	0.4
133.67403	0.4
135.00717	0.7
135.04362	0.5
136.99033	0.5
148.01512	1.5
149.02206	0.4
150.99196	0.5
151.00276	8.4
151.03790	0.6
152.00941	1.7
152.99438	0.6
161.02370	0.5
163.00285	2.4
163.03828	0.6
164.01013	0.4
169.01285	0.9
171.10158	0.4
174.03036	1.1
175.03886	1.1
177.01790	0.4
178.99782	3.6
187.03819	0.6
189.01837	3.0
190.02565	0.8
190.99832	0.6
198.03140	0.8
199.03857	1.4
201.01761	0.4
209.11731	0.9
211.04022	1.1
215.03470	0.9
226.02650	5.4
227.03433	4.9
228.03990	0.6
229.01370	0.6
229.04799	0.5
243.02959	19.5
244.03354	1.6
245.04488	0.6
254.02158	5.2
255.02954	24.0
256.03354	1.7
271.02469	83.1
272.02951	7.1
273.03949	0.5
283.02524	0.8
298.98914	0.5
299.02020	2.2
300.02731	100.0
301.03415	33.2
302.03854	2.3
313.23907	0.6
343.04770	0.5
359.44876	0.5
445.07764	0.6
448.09836	0.8
449.09839	0.5
463.08820	10.2
464.09317	0.9
610.27386	0.5
611.18109	68.5
611.28369	4.1
611.34149	2.2
612.18481	12.6
612.28754	0.7
621.27185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	7.3
59.01244	21.4
61.98699	19.9
63.02263	0.9
65.00192	16.3
65.56706	0.7
69.18974	1.3
69.19373	8.1
70.87852	0.8
71.01252	10.8
72.99174	1.6
73.02824	3.1
74.05230	0.8
75.00742	2.3
83.01257	7.9
85.02817	3.7
87.00744	2.2
89.02312	5.3
90.47653	0.7
93.03324	1.4
95.01252	1.1
95.04877	1.0
96.95885	8.9
97.02815	1.6
99.00777	1.0
101.02307	5.5
105.03346	1.0
107.01262	23.2
109.02837	7.3
111.00776	1.5
111.72435	1.0
113.02325	3.8
117.03302	1.5
118.29506	0.8
119.03392	3.2
119.04899	2.6
121.02835	2.4
123.04398	1.7
123.07997	1.1
125.02329	44.1
126.02699	1.1
131.03442	0.8
133.02837	14.5
134.03615	1.9
135.04408	82.1
136.04756	3.1
137.02332	2.0
137.05917	2.3
139.07561	3.0
145.02852	2.7
145.08615	2.8
147.04471	1.5
149.02330	2.8
149.05972	1.9
150.03062	1.5
151.00267	100.0
151.03838	4.9
152.00717	2.5
153.09148	1.1
159.04382	1.0
161.02342	60.9
161.04501	2.3
162.02711	3.3
163.03857	1.2
165.01848	4.9
165.05457	1.2
167.06993	1.3
168.00600	0.9
169.01352	6.3
174.03156	0.9
175.00273	2.5
175.03859	2.6
177.01862	9.9
177.05460	3.9
178.02225	1.4
179.03421	13.6
179.05522	2.2
181.05017	2.7
183.10167	20.8
187.03876	1.3
190.02664	2.2
191.05496	1.2
193.01273	0.9
197.11719	1.9
201.05525	1.0
203.03458	1.8
203.74879	0.9
205.04993	2.6
205.12257	1.9
209.11623	0.9
214.98012	0.9
217.01308	1.1
221.04420	4.8
223.05980	0.9
225.11244	6.2
227.12770	1.3
241.04854	1.0
243.02888	1.5
255.03029	1.0
255.12349	1.8
256.03439	1.5
269.04611	2.5
271.02521	2.6
272.02908	1.0
273.03043	1.5
285.04068	1.7
287.05594	42.1
287.15073	1.2
288.05823	1.9
300.02765	2.8
301.00055	1.7
301.03323	4.6
301.20316	1.8
302.03485	2.0
311.55649	0.8
314.03909	0.8
315.05093	2.5
323.07675	48.9
324.02588	1.7
324.07983	3.5
325.03586	1.4
329.01129	1.2
339.10748	2.5
346.01450	1.4
361.03937	1.1
369.11569	1.4
385.18860	3.8
399.13089	3.3
449.10907	14.3
450.11026	2.4
459.13904	1.2
464.08960	1.3
465.09799	1.7
475.08817	3.1
489.01505	1.0
501.10101	3.1
523.09290	1.4
531.16296	2.2
549.23425	2.1
611.13910	75.9
611.26343	5.4
612.14172	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	611.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	7.3
59.01244	21.4
61.98699	19.9
63.02263	0.9
65.00192	16.3
65.56706	0.7
69.18974	1.3
69.19373	8.1
70.87852	0.8
71.01252	10.8
72.99174	1.6
73.02824	3.1
74.05230	0.8
75.00742	2.3
83.01257	7.9
85.02817	3.7
87.00744	2.2
89.02312	5.3
90.47653	0.7
93.03324	1.4
95.01252	1.1
95.04877	1.0
96.95885	8.9
97.02815	1.6
99.00777	1.0
101.02307	5.5
105.03346	1.0
107.01262	23.2
109.02837	7.3
111.00776	1.5
111.72435	1.0
113.02325	3.8
117.03302	1.5
118.29506	0.8
119.03392	3.2
119.04899	2.6
121.02835	2.4
123.04398	1.7
123.07997	1.1
125.02329	44.1
126.02699	1.1
131.03442	0.8
133.02837	14.5
134.03615	1.9
135.04408	82.1
136.04756	3.1
137.02332	2.0
137.05917	2.3
139.07561	3.0
145.02852	2.7
145.08615	2.8
147.04471	1.5
149.02330	2.8
149.05972	1.9
150.03062	1.5
151.00267	100.0
151.03838	4.9
152.00717	2.5
153.09148	1.1
159.04382	1.0
161.02342	60.9
161.04501	2.3
162.02711	3.3
163.03857	1.2
165.01848	4.9
165.05457	1.2
167.06993	1.3
168.00600	0.9
169.01352	6.3
174.03156	0.9
175.00273	2.5
175.03859	2.6
177.01862	9.9
177.05460	3.9
178.02225	1.4
179.03421	13.6
179.05522	2.2
181.05017	2.7
183.10167	20.8
187.03876	1.3
190.02664	2.2
191.05496	1.2
193.01273	0.9
197.11719	1.9
201.05525	1.0
203.03458	1.8
203.74879	0.9
205.04993	2.6
205.12257	1.9
209.11623	0.9
214.98012	0.9
217.01308	1.1
221.04420	4.8
223.05980	0.9
225.11244	6.2
227.12770	1.3
241.04854	1.0
243.02888	1.5
255.03029	1.0
255.12349	1.8
256.03439	1.5
269.04611	2.5
271.02521	2.6
272.02908	1.0
273.03043	1.5
285.04068	1.7
287.05594	42.1
287.15073	1.2
288.05823	1.9
300.02765	2.8
301.00055	1.7
301.03323	4.6
301.20316	1.8
302.03485	2.0
311.55649	0.8
314.03909	0.8
315.05093	2.5
323.07675	48.9
324.02588	1.7
324.07983	3.5
325.03586	1.4
329.01129	1.2
339.10748	2.5
346.01450	1.4
361.03937	1.1
369.11569	1.4
385.18860	3.8
399.13089	3.3
449.10907	14.3
450.11026	2.4
459.13904	1.2
464.08960	1.3
465.09799	1.7
475.08817	3.1
489.01505	1.0
501.10101	3.1
523.09290	1.4
531.16296	2.2
549.23425	2.1
611.13910	75.9
611.26343	5.4
612.14172	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	610.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
60.99166	0.2
61.98700	100.0
69.38673	0.2
69.38962	1.5
71.01252	0.5
75.00739	0.2
88.98680	1.3
96.95859	0.2
113.02333	0.2
121.02837	0.2
125.02332	0.4
134.66859	0.2
137.02377	0.4
150.03122	0.2
151.03784	0.2
160.01602	0.4
161.02431	0.2
167.03378	0.2
171.04083	0.2
173.04538	0.2
174.33310	0.2
175.03885	0.9
176.04314	0.2
177.01701	0.2
181.08632	0.3
194.01855	0.2
223.09767	0.3
270.17715	0.2
361.69260	0.2
540.36987	0.2
547.25690	0.4
575.43701	0.2
610.29095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.3
59.01248	17.2
60.99197	1.9
61.98696	4.9
65.00214	1.7
71.01253	6.7
71.06677	0.6
73.02837	1.0
75.00752	0.9
83.01279	1.1
85.02845	1.4
87.00761	1.2
88.98679	10.8
89.02324	7.6
93.03370	2.2
94.46162	0.6
95.01291	0.7
96.95886	0.9
97.02834	1.2
99.71307	0.7
101.02355	2.9
106.16227	0.6
107.01327	2.0
107.04949	1.5
108.02063	5.6
109.02879	1.6
113.02400	1.5
117.03345	1.3
119.03386	0.8
121.02846	10.3
123.04395	6.9
125.02341	8.9
131.03481	1.2
133.02872	2.5
135.00844	1.9
135.04410	27.0
136.04790	1.3
137.02382	2.5
139.07620	1.1
145.02876	0.8
149.02394	0.8
149.04431	1.0
150.98509	0.9
151.00281	10.3
151.03938	2.6
151.99274	1.6
153.09137	2.0
161.02354	11.6
161.04475	1.0
162.02649	0.7
163.03912	0.8
165.01819	4.7
169.01324	0.8
175.03966	1.8
176.45335	0.8
177.01834	2.6
178.98001	1.9
178.99777	2.1
179.03423	1.6
179.82248	0.7
179.98744	1.4
183.10164	7.3
189.01846	1.3
189.46956	0.7
190.02690	0.8
193.01350	1.5
193.05038	0.8
197.06165	0.9
205.04886	1.5
223.06134	0.8
225.05518	4.8
242.02116	1.8
243.02812	1.3
243.06693	1.2
256.03418	1.7
257.08170	29.6
258.08557	2.2
269.01077	1.5
269.04337	1.2
270.01697	1.5
271.02478	2.7
271.05276	0.9
274.99966	0.8
285.03986	2.1
285.07025	0.7
287.05566	2.9
293.08890	1.3
297.00494	0.7
298.01154	1.5
299.02084	1.0
300.02780	2.3
301.03586	1.6
302.03485	1.5
302.99689	17.4
303.99948	1.6
312.02637	0.7
313.03528	2.3
313.07028	0.9
313.98596	1.4
314.03986	0.7
317.01181	3.2
323.07697	2.5
328.00562	1.8
329.01160	7.2
330.99149	26.1
331.03113	1.5
331.24637	1.2
331.99533	2.0
341.06793	1.9
345.00681	2.3
346.01495	100.0
347.01837	11.3
360.03030	1.1
361.03848	84.6
362.04135	8.0
413.21683	4.4
435.10959	1.4
449.05441	29.9
449.11127	4.8
450.05743	3.4
465.09094	1.3
485.10953	8.3
486.11218	0.8
491.06754	4.0
508.06607	0.7
523.09119	16.5
524.09790	1.1
549.69800	0.7
610.24304	0.8
611.13428	8.7
611.27179	2.0
612.13965	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	609.2681
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
51.11427	0.6
53.62548	0.5
57.03313	0.8
59.01250	4.2
61.98699	18.2
69.03340	0.8
69.93230	3.1
71.01249	2.6
74.00581	0.7
75.00729	1.2
78.95770	69.6
79.95601	0.6
80.96394	1.0
85.02804	1.3
86.90916	0.5
87.00772	0.9
89.02309	0.9
96.95889	3.9
96.96835	13.1
97.06463	0.7
98.95441	2.7
101.02347	1.3
113.02338	0.8
116.92745	1.2
125.02293	1.0
135.04436	1.0
136.00594	0.6
137.02313	0.7
150.03123	2.4
152.99481	77.3
153.99817	1.1
161.02263	0.6
161.05917	0.6
165.05467	2.5
171.00546	2.1
174.03160	4.8
175.03874	2.2
179.14375	0.8
187.04047	0.7
190.02661	1.0
195.13841	11.9
196.14273	1.1
205.12357	1.1
205.15865	0.6
205.67432	0.6
209.11629	1.0
211.13431	1.3
223.00064	8.7
223.13350	6.9
224.13844	0.7
228.13637	1.1
241.01138	28.8
242.01578	1.1
259.02274	2.1
275.20020	3.5
276.20670	0.6
288.64719	0.5
289.32355	0.6
293.21213	44.4
294.21625	4.1
300.02634	1.1
301.03204	0.6
302.00522	0.7
315.04865	10.9
333.05911	1.6
343.28452	1.7
349.06427	0.6
349.43555	0.6
411.21570	0.7
429.11533	0.6
609.26794	100.0
610.27094	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	609.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.2
59.01250	40.7
61.98696	20.3
68.99657	2.5
71.01250	26.4
72.99162	3.0
73.02813	9.4
75.00729	2.6
78.95767	6.6
83.01247	7.6
85.02827	9.1
87.00742	7.4
88.98695	3.6
89.02333	9.9
91.01764	1.6
93.03333	4.7
95.01266	2.1
97.02810	2.2
99.00719	2.8
101.02309	10.0
107.04852	1.8
108.02047	5.7
109.02805	7.7
113.02329	7.0
115.05406	5.1
119.01292	3.6
119.03433	3.1
120.99507	3.2
121.02845	7.7
123.04392	5.4
125.02335	6.1
134.03633	2.4
135.00726	5.1
135.04417	6.5
137.02371	8.6
138.06775	9.6
139.00247	6.5
145.02823	1.7
147.00754	11.2
147.04434	1.8
149.02362	10.7
149.05960	3.8
149.99513	2.5
150.03191	2.6
151.00200	2.6
151.03905	4.4
152.01041	5.7
152.99529	4.0
153.09106	18.7
154.02641	4.2
159.03102	2.6
159.04405	15.7
160.01537	6.3
161.02306	4.6
161.04466	3.6
163.00294	21.6
163.11171	1.7
164.00664	2.2
164.04677	4.9
165.01808	4.8
165.05392	4.0
166.02632	2.3
167.03380	2.0
167.07120	11.6
169.04951	7.7
173.99362	2.0
174.03125	1.7
175.00279	4.4
175.03929	17.2
176.04471	1.8
177.01884	19.6
177.05489	56.1
178.02608	15.9
178.05844	2.6
178.99818	1.7
179.03329	6.6
179.07051	2.3
180.04004	2.4
181.04936	2.9
183.06561	4.2
189.01831	5.7
190.02676	10.3
190.99794	31.6
191.03426	1.8
192.00476	4.4
193.01329	2.3
193.04999	19.8
195.06573	4.2
197.04405	2.9
205.01254	4.0
205.05005	9.1
206.02145	65.9
207.02638	4.3
207.13809	4.0
209.04417	3.1
209.11736	5.3
211.05998	8.9
221.01007	3.5
221.04503	100.0
222.04817	7.3
223.06053	4.9
225.14932	20.4
225.19159	1.9
227.12875	10.1
239.05559	52.8
240.05923	4.1
245.70924	1.9
265.07144	3.6
269.13806	2.6
271.02386	2.6
287.14893	4.7
293.95853	1.9
299.01880	3.5
300.02734	6.3
300.99768	1.9
301.03436	3.8
314.04123	2.6
315.04868	3.4
329.23340	2.6
363.12509	1.9
375.26974	2.2
431.19263	3.4
433.04718	2.0
439.19666	2.2
452.67932	1.9
577.22455	2.0
594.23187	2.8
609.13580	8.1
609.25659	53.0
610.25348	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	609.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49948	0.6
57.03318	1.1
59.01250	71.6
60.01583	0.7
60.99164	0.6
61.98699	8.9
69.39893	5.3
71.01247	3.5
73.02813	5.3
75.00725	0.7
78.95770	2.3
79.27671	0.6
83.01250	3.9
85.02818	0.7
87.00781	1.2
88.98666	1.1
89.02320	1.8
95.01237	0.8
96.95878	0.9
99.04420	1.0
101.02332	4.2
113.02326	2.7
115.05421	8.0
123.04417	1.2
125.02345	3.0
131.03384	0.9
139.00233	0.7
145.02794	0.8
158.03645	1.5
159.04420	18.6
159.51764	0.6
160.01591	1.0
160.04747	0.7
161.02374	2.1
161.04448	0.7
165.12759	1.5
167.03401	2.5
167.10725	0.8
171.10197	0.7
175.03906	3.9
179.03456	0.7
190.02675	1.4
193.04948	1.1
207.13837	6.7
209.11790	7.7
225.14896	13.3
227.12839	46.2
228.13196	2.0
251.12930	2.1
269.13913	13.8
270.14407	0.8
273.70844	0.7
287.14996	100.0
288.15356	7.8
288.23682	0.6
293.13855	1.7
300.02563	0.9
301.00073	0.7
311.15039	1.5
329.15985	6.8
329.23010	0.6
359.17114	6.4
385.12906	2.9
389.18164	30.1
390.18521	2.2
431.19165	0.9
449.20251	80.1
450.20609	9.6
591.25824	0.9
609.11597	0.8
609.25653	6.6
610.26276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.5
59.01245	8.8
71.01251	13.4
71.12247	1.6
72.99161	2.0
75.00736	8.5
85.02816	12.7
87.00747	6.1
89.02313	4.9
95.01257	4.2
99.00748	4.2
101.78569	1.1
113.02328	24.4
115.00192	1.2
129.01772	1.5
135.02866	4.7
175.02420	1.3
215.62524	1.2
215.64784	1.1
249.06090	3.0
257.08099	1.1
267.07199	100.0
268.07455	5.5
270.35532	1.1
285.11102	1.3
537.95996	1.3
622.84247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41802	0.3
54.79395	0.3
59.01244	4.0
61.98698	5.5
65.00191	3.1
67.13487	0.3
69.03330	0.3
69.32568	1.9
69.32997	1.1
70.04115	0.3
70.50669	0.3
71.01253	4.3
72.99168	0.7
73.02818	0.9
74.98968	0.6
78.06113	0.3
83.01266	1.1
85.02825	1.3
87.00748	1.0
88.98675	1.2
89.00191	0.8
89.02320	2.5
91.01772	0.6
93.03342	1.7
96.27602	0.4
96.95870	1.0
97.02834	3.6
99.00745	0.6
101.02322	2.8
101.52840	0.3
107.01262	0.5
108.02058	0.5
109.02831	1.9
111.00723	0.4
111.16844	0.3
113.02318	1.5
117.03301	0.4
119.03316	0.6
119.04891	0.5
120.99522	0.9
121.02831	13.6
122.03072	0.4
123.00777	0.8
123.04430	0.8
124.01574	0.4
125.02331	1.6
131.03362	0.9
132.02023	0.4
133.02856	1.7
134.03606	0.4
135.02914	0.4
135.04411	3.2
137.02319	1.2
139.00220	0.6
139.03899	0.9
143.04874	0.4
145.02849	0.6
147.04440	0.8
149.02298	1.5
149.05963	1.6
149.99460	1.0
151.00273	3.9
151.03888	0.5
152.96446	0.4
153.01813	1.3
154.97945	0.5
159.02937	0.3
159.04420	0.7
160.64104	0.3
161.02333	3.3
161.04443	1.1
161.05818	0.5
163.00282	0.7
163.03922	0.5
164.04643	0.3
165.01833	39.6
166.02586	3.8
167.03291	0.7
168.99600	0.6
169.01234	0.8
173.02342	0.5
174.03136	0.4
175.00311	0.7
175.03920	1.9
177.01831	1.2
178.02504	0.4
179.03366	1.6
179.05569	0.6
180.95982	0.8
181.04961	8.5
183.02814	0.4
187.03857	1.0
190.02646	1.8
191.03419	0.4
192.00468	0.6
193.01352	6.4
193.04959	1.0
194.01749	0.5
195.98308	0.5
197.04530	0.6
199.03955	0.6
201.01811	0.5
203.03412	5.0
205.05009	1.3
206.02138	0.6
207.02971	0.9
211.00569	0.9
211.03761	0.5
211.13348	1.0
214.02583	0.5
215.03378	0.8
217.01619	0.3
217.04703	0.5
218.05800	2.8
221.04459	0.7
223.06079	0.5
226.02615	1.1
227.03362	2.6
228.04172	1.0
229.04984	0.7
233.08162	3.9
241.05045	0.5
242.02159	1.3
243.02975	2.3
244.03552	0.7
254.02164	1.3
255.02977	3.1
256.03622	1.2
257.04449	1.1
259.06177	0.7
267.03177	0.4
269.04498	1.5
270.01660	0.5
271.02454	20.8
272.02841	2.0
284.03210	1.5
285.03979	5.9
287.05502	1.7
293.04575	0.4
297.03870	0.5
299.01941	30.7
299.99216	0.5
300.02621	11.1
301.00079	0.5
301.03232	1.2
303.03140	0.6
304.03885	0.4
307.13382	0.5
313.03485	2.9
314.04282	28.4
315.05063	100.0
316.05383	7.4
319.06293	1.3
323.07623	1.3
325.14413	0.8
343.07562	0.4
415.13959	1.5
447.04230	1.4
447.09283	39.8
447.16125	2.5
447.22470	0.9
448.09653	5.2
477.10345	31.9
478.10687	3.6
481.11679	4.2
549.29669	0.7
609.13385	9.0
609.27753	2.5
610.13715	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48861	0.5
55.25949	0.6
57.03312	0.6
58.00444	0.8
59.01247	11.0
60.12612	0.5
61.98696	5.3
65.00191	1.7
69.45993	2.6
69.46399	1.1
71.01250	9.5
72.99174	0.9
73.02808	2.1
74.98967	0.7
83.01245	2.1
85.02807	2.4
87.00747	2.9
89.02318	6.7
93.03316	1.3
95.01231	1.1
96.95889	1.0
97.02817	1.3
97.06493	0.6
98.19846	1.0
99.96217	0.5
101.02319	5.5
104.06490	0.6
107.01287	0.7
108.02000	1.4
109.02818	3.8
111.00726	0.6
113.02344	2.9
115.00240	2.7
116.00555	0.6
119.03371	2.2
120.99578	0.8
121.02847	5.3
123.04414	1.0
124.01527	0.6
125.02321	4.2
131.03394	0.8
133.02837	1.2
134.03566	0.7
135.02863	0.8
135.04437	3.1
137.02357	1.3
139.03859	0.8
147.00711	0.8
149.02278	2.4
149.04541	0.9
149.05949	1.0
151.00252	2.0
151.03912	0.9
152.00761	0.5
153.01845	1.6
159.04286	0.7
160.01602	0.8
161.02307	1.7
161.04465	1.6
163.00192	0.9
163.03894	1.1
164.04663	1.6
165.01839	15.7
166.02226	0.5
167.03423	0.7
169.01280	1.9
171.04393	0.9
175.00261	1.6
175.02364	5.0
175.03905	2.1
176.00987	0.9
176.02751	1.5
177.01842	3.6
179.03439	1.3
179.05463	1.8
183.02971	0.8
187.03828	1.5
189.01939	0.8
190.02608	6.1
191.03400	0.8
191.05492	1.4
193.01389	3.6
195.02765	0.7
199.03900	1.5
203.03548	0.7
205.04974	4.8
211.03967	0.7
211.13254	0.8
213.02132	0.5
215.03500	1.7
217.01340	0.8
223.06055	2.8
226.02670	1.3
227.03403	3.1
228.04103	0.9
237.09776	0.8
242.02113	0.7
243.02966	5.6
245.00703	0.5
254.02220	1.6
255.02821	2.6
256.03531	0.9
261.04712	0.6
265.07214	1.1
269.04559	1.8
270.01678	1.0
271.02457	62.2
272.02853	5.8
285.03992	4.3
287.05591	1.3
290.07809	0.7
293.08942	0.8
295.02380	0.8
297.03989	0.7
299.01944	90.5
300.02496	16.9
300.99829	1.5
301.03207	1.3
314.04297	83.8
315.05026	50.2
316.05487	3.4
357.06232	1.5
417.24930	1.6
447.08469	0.8
447.14700	1.3
549.29108	1.2
609.14581	100.0
609.26135	8.4
610.14807	17.3
610.25470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1454
Annotation	Rutine
Peak:m/z	Relative Intensity
51.77371	0.3
59.01218	0.3
61.93813	0.3
63.02262	0.6
64.76838	0.2
65.00185	1.4
69.31072	2.4
71.01252	0.4
83.01252	1.0
89.02283	0.3
90.48795	0.3
93.03337	0.4
107.01265	3.3
108.02020	1.6
109.02835	1.9
113.02312	0.4
119.01228	0.2
120.02081	0.3
121.02839	2.1
125.02304	0.6
135.00754	0.9
137.02299	0.2
148.01534	1.3
149.02321	0.6
151.00269	13.7
152.00681	0.8
153.01843	0.3
161.02351	0.3
163.00258	3.5
163.03868	0.5
164.01094	0.5
165.01791	0.3
169.01338	0.7
171.04370	0.4
177.05331	0.3
178.99774	7.7
180.00069	0.5
183.04471	0.5
190.02757	0.3
190.99785	0.4
191.03470	0.3
192.00401	0.3
193.01199	0.4
199.03889	0.9
201.01958	0.3
201.05405	0.5
203.03384	0.3
210.03075	0.3
211.03966	1.4
215.03557	0.5
216.04124	0.5
226.02666	1.3
227.03439	3.0
229.04984	1.1
239.03452	0.5
243.02937	10.4
244.03459	1.1
245.04463	1.3
254.02194	2.2
255.02957	28.5
256.03308	2.2
257.04681	0.4
271.02460	60.3
272.02902	6.7
273.03986	1.6
283.02386	1.3
298.98856	0.3
299.01843	1.7
300.02719	100.0
301.03439	46.5
302.03928	3.3
307.06598	0.3
313.39136	0.3
343.04242	0.5
413.88602	0.3
454.63828	0.3
609.14569	92.5
610.14874	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	609.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01247	14.2
61.98692	5.7
63.02244	0.5
65.00179	2.2
69.39965	0.7
69.40366	3.3
71.01250	3.2
72.99171	0.9
73.02778	0.7
83.01248	1.8
83.04873	0.9
85.02809	1.1
87.00735	0.7
88.98657	0.7
89.02340	2.4
89.02808	0.5
91.01795	0.8
93.03316	1.4
95.01260	0.8
96.95861	0.9
97.02856	0.6
101.02289	2.8
102.98474	2.0
103.00241	0.5
104.54208	0.5
105.05370	0.5
107.01273	5.1
108.02026	1.9
109.02805	2.2
113.02328	1.2
117.03284	1.2
119.04890	1.0
121.02846	2.6
123.00715	0.7
123.04391	0.7
125.02323	1.6
131.05031	0.5
133.02803	0.5
134.03552	0.7
135.00761	1.5
135.04391	1.1
135.08006	0.6
137.02309	1.0
137.09502	0.6
145.02841	3.4
147.00751	0.5
148.01559	1.2
149.02333	1.5
149.05968	0.6
151.00275	15.0
151.01518	0.7
151.07533	0.8
159.04436	8.6
160.01527	1.9
161.02280	1.3
161.04431	0.7
161.05931	1.5
161.09686	0.7
163.00357	2.6
163.03938	1.1
164.01030	0.8
164.04654	1.2
165.01907	0.5
165.05307	0.6
169.01338	1.6
174.03157	0.6
175.00255	1.2
175.03922	3.3
177.01837	0.7
177.05438	1.9
177.09227	0.6
178.99780	7.9
179.03308	0.5
179.07072	0.9
181.08624	1.6
183.04399	0.5
187.03873	1.3
190.02614	3.0
190.99658	0.9
193.01369	0.6
193.04977	1.0
193.08588	1.0
197.04355	0.6
197.11824	2.5
198.03108	0.9
199.03929	1.2
203.03477	0.7
205.04973	3.5
211.03914	0.9
213.01695	0.7
215.03430	0.8
216.04187	0.8
221.04449	0.6
223.06032	1.6
223.09639	1.6
226.02667	1.8
226.04698	0.6
227.03464	4.1
227.12857	0.7
229.04938	0.8
241.10703	2.6
243.02953	13.8
244.03357	1.4
245.04384	1.0
253.10910	0.6
254.02271	2.4
255.02962	27.1
256.03381	2.1
257.04428	0.7
265.07086	2.0
271.02454	61.1
272.02966	6.8
273.04016	1.0
283.02490	1.6
283.11835	1.0
285.04047	1.7
287.14902	0.6
295.08179	0.8
299.01999	1.7
299.18521	1.4
300.02719	100.0
301.03433	52.5
302.03809	4.1
313.13071	0.7
315.05042	0.8
321.09671	0.7
325.09381	1.2
329.23221	0.8
339.10727	2.8
341.02927	2.4
343.13956	3.1
381.12003	1.6
403.16095	2.8
417.24710	1.0
463.08792	61.2
464.09097	7.3
564.83795	0.6
591.24261	0.5
609.12506	49.3
609.26758	7.7
610.12939	8.7
610.27002	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	607.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85143	0.3
56.94231	0.3
58.44601	0.3
59.01250	100.0
60.01586	1.3
61.98711	0.4
64.83272	0.3
65.98701	0.3
70.25175	0.4
70.98972	0.6
71.01273	1.1
72.99185	2.5
75.00747	2.3
78.95776	0.7
80.96404	0.8
103.00274	0.7
130.99757	2.7
131.03409	0.4
135.04410	0.5
181.04939	0.4
198.14293	0.3
199.53410	0.4
210.68188	0.4
397.12872	0.4
438.22876	0.4
607.29266	0.4
607.38434	1.9
608.38824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45791	0.1
53.34976	0.2
57.66673	0.2
59.01254	0.8
61.98699	100.0
63.48428	0.2
69.24827	1.1
69.25240	0.5
71.01263	0.3
78.95773	0.4
79.95588	0.2
83.01245	0.2
88.35391	0.2
89.02315	0.3
96.95902	0.2
101.37290	0.2
113.24300	0.2
124.89015	0.2
125.02370	0.2
141.91219	0.2
142.87126	0.2
209.11790	0.5
220.40955	0.2
239.99307	0.2
269.08121	0.2
339.01782	0.2
500.19897	0.2
512.03271	0.3
547.10706	0.3
581.14655	0.2
609.15344	0.2
609.25714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1245
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
50.49469	0.3
52.14495	0.3
52.43026	0.3
55.47853	0.3
57.03733	0.4
57.39819	0.3
59.01245	1.2
61.98701	5.4
63.02249	0.8
65.00197	1.5
69.45770	2.9
71.01248	1.0
73.02818	0.5
83.01260	0.9
89.02340	0.5
91.01755	0.4
93.03390	0.5
93.92558	0.4
107.01258	3.2
108.02042	1.9
109.02820	1.0
117.03320	0.7
119.01210	0.4
119.04906	0.8
121.02828	2.3
125.02286	0.7
135.00758	0.8
135.04414	1.2
145.02863	3.2
146.03241	0.4
147.00885	0.4
148.01563	1.4
151.00272	11.8
152.00682	0.5
159.04349	0.5
160.01521	0.5
161.02354	0.6
163.00273	3.0
163.03903	0.5
164.01024	1.0
165.01799	0.6
169.01379	0.8
175.03908	0.7
177.01793	0.5
177.05502	0.4
178.99779	5.8
179.03490	0.4
180.37080	0.3
187.03938	0.6
190.02544	0.5
190.99820	0.7
191.93358	0.3
192.00485	0.8
192.66646	0.4
198.03082	0.5
199.03952	1.2
201.01892	0.4
201.05475	0.5
203.03363	0.4
205.05098	0.5
206.02179	0.4
211.03995	1.7
215.03374	1.0
216.04184	0.4
221.04451	1.0
226.02644	2.1
227.03481	3.5
229.01366	0.4
229.04942	0.7
243.02965	12.2
244.03511	1.6
245.04657	0.8
254.02205	2.3
255.02966	29.2
256.03336	2.7
271.02472	62.4
272.02899	7.2
273.03912	1.1
281.06406	0.5
283.02539	0.7
284.02982	0.4
286.02933	0.4
299.02063	2.8
300.02737	100.0
301.03436	41.7
302.03830	3.3
315.05258	0.5
384.19949	0.4
425.68121	0.4
463.08817	61.0
464.09204	7.5
477.10068	0.4
609.12476	50.2
610.12769	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	607.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.1
57.03309	0.4
59.01248	8.7
60.01612	0.1
60.68958	0.1
61.98699	2.4
69.03318	0.2
69.34321	0.1
71.00896	0.2
71.01256	1.9
71.51739	0.2
72.99172	0.2
73.02434	0.2
73.02819	1.9
75.00737	0.5
78.95759	0.3
83.01252	2.2
83.04876	0.1
85.02817	0.5
87.00734	0.3
88.98670	0.2
89.02319	1.0
93.03324	0.2
95.01292	0.2
96.95868	0.2
97.06473	0.3
99.00761	0.2
99.04418	0.2
101.02324	1.7
101.03826	0.2
113.02328	1.0
117.03365	0.2
119.03440	0.1
119.04861	0.3
121.02815	0.1
125.02322	0.5
129.03362	0.2
130.04150	0.4
131.03421	0.3
131.04916	4.3
132.05206	0.2
133.02835	0.3
134.03610	0.3
135.04381	0.3
137.02327	0.2
137.31879	0.1
143.03491	0.1
145.02826	0.4
147.04431	1.1
149.04475	0.3
149.06015	0.4
150.03090	0.2
157.02835	0.5
158.03638	0.5
159.04384	0.3
160.01550	0.4
161.02322	0.4
161.04439	0.2
163.03906	0.2
165.05392	0.2
167.10634	0.6
173.02383	0.4
174.01550	0.3
174.03136	11.5
175.03914	100.0
176.00993	0.2
176.04260	5.0
177.01891	0.2
183.10184	0.4
187.03984	0.4
189.01781	0.2
190.02658	0.7
191.03496	0.2
191.05550	0.2
193.04987	0.4
195.06421	0.2
199.03998	0.2
200.04738	0.3
201.05405	0.2
205.04990	0.6
207.13823	0.4
209.11765	1.0
217.05061	0.4
219.06465	0.3
223.06140	0.2
225.14923	1.1
227.12825	4.6
229.05074	0.3
233.11754	0.4
251.12872	0.4
253.17976	0.1
269.13965	1.8
287.15002	7.0
288.15295	0.5
294.04642	0.2
311.14938	0.5
314.60303	0.1
327.21710	0.9
329.04395	0.2
329.16254	0.6
335.05356	0.1
338.38995	0.1
347.05597	0.4
348.06464	0.4
353.15994	0.2
359.16931	0.2
371.17020	0.5
373.26022	0.3
389.18213	0.9
415.23727	0.3
431.19180	4.5
432.19559	0.4
445.13098	0.7
449.20245	2.6
450.20972	0.2
456.04361	0.2
457.04700	0.4
547.27777	0.4
607.24713	2.7
607.33453	1.4
608.24811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
59.01249	22.3
61.98693	4.1
65.00224	1.3
66.32899	1.2
68.48409	1.2
68.99686	2.2
69.03323	2.4
71.01243	11.8
72.99184	2.1
73.02814	4.4
75.00754	2.2
78.23011	1.2
83.01251	2.5
83.04875	1.8
85.02809	6.1
87.00745	5.1
87.63741	1.0
88.98694	2.0
89.02312	8.2
93.03316	1.6
95.01257	2.9
96.95873	2.4
97.02852	1.5
98.19841	2.7
99.00735	3.6
99.04384	1.2
101.02324	5.5
109.02831	2.6
111.00749	4.0
111.04323	1.4
113.02319	7.6
113.99454	6.9
115.00288	8.0
119.03384	1.5
119.04995	1.6
123.00760	1.5
125.02314	5.3
127.00240	4.2
129.01775	2.2
131.03391	2.2
135.02867	2.7
135.04361	1.9
136.58736	1.7
136.98952	1.3
137.02335	2.9
139.00249	1.9
143.03432	1.7
149.04413	2.0
151.00252	1.8
156.00574	1.3
157.01318	6.4
161.04474	1.7
163.03848	1.2
169.01357	3.4
174.01622	9.0
175.02327	3.3
191.05498	2.2
193.01393	1.5
207.13864	2.2
209.11755	21.4
225.14830	1.9
227.12834	9.3
235.08197	1.7
269.13846	2.5
277.05573	7.1
287.14981	6.2
337.07678	2.9
397.13559	9.2
413.08685	2.2
415.14584	4.7
415.23227	2.0
542.04083	1.2
547.20258	5.4
547.27759	1.8
589.21173	1.9
607.22357	100.0
608.22668	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	607.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.5
59.01249	4.5
61.98700	28.1
71.01251	3.2
71.04868	0.5
71.51200	0.6
72.99151	0.8
73.02811	1.2
75.00727	0.9
78.95766	1.8
80.96371	0.4
83.01263	0.7
85.02814	1.5
89.02325	1.4
92.32701	0.4
96.95880	5.2
99.00714	0.4
101.02306	1.6
108.02027	0.5
109.02829	1.1
113.02320	1.0
121.02872	1.2
125.02351	0.5
127.32777	0.5
131.04900	0.6
135.04391	0.9
136.99063	0.5
137.02315	0.6
145.02805	0.8
149.02322	0.7
149.05829	0.6
152.00986	0.4
152.99484	1.1
159.04379	0.6
160.01588	1.0
161.02353	10.1
161.04463	0.5
163.03876	1.3
164.04729	0.5
165.01987	0.6
165.05495	0.8
173.02365	1.1
174.03131	3.9
175.00322	0.7
175.03960	4.5
176.04167	0.8
177.01840	1.3
178.02538	0.4
179.03435	0.5
183.04372	0.6
187.03906	1.3
189.01817	1.1
190.02559	1.4
191.03215	0.6
193.04884	0.6
200.04712	20.0
201.05081	1.2
201.12782	0.5
205.05014	1.3
209.11827	1.2
211.03937	31.2
212.04260	1.9
214.06311	0.5
215.07071	32.3
216.07323	2.2
217.01309	0.4
219.13936	0.4
224.04713	0.7
225.05638	0.5
229.05022	1.4
237.05525	0.5
250.06273	0.4
251.07132	0.8
252.07623	0.5
253.08807	0.8
265.08890	0.7
269.08081	0.7
275.07040	0.6
283.10388	0.5
285.05606	1.0
286.06311	0.5
289.07629	0.5
295.09836	1.9
301.05023	1.1
302.05704	1.0
303.06671	2.4
313.04968	0.5
314.05582	0.6
323.27777	0.4
327.25430	0.5
329.04514	13.5
330.05203	9.0
331.05966	2.9
332.06818	0.6
337.93674	0.4
341.26886	1.1
342.05261	0.9
343.05994	0.7
345.04068	1.4
346.04807	3.4
347.05539	15.8
348.06323	14.9
348.10703	0.6
349.06650	1.3
351.06610	1.2
354.05319	0.8
355.06070	0.8
357.04105	3.5
358.04785	5.3
359.05444	0.8
370.04770	7.2
371.05444	1.3
372.06064	0.6
379.06125	2.1
380.06873	6.0
381.07449	1.4
384.06387	0.5
389.23209	0.6
391.09756	0.7
398.07935	0.6
399.08606	4.1
400.09158	1.1
409.10678	3.9
410.11230	0.7
427.11819	100.0
428.12152	13.3
428.18018	0.7
445.12894	28.2
446.13031	2.9
497.09442	0.6
510.11655	1.0
589.17383	3.1
607.17596	1.6
607.30212	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	607.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01244	6.7
61.98701	39.2
62.39484	0.5
71.01246	3.5
72.99191	1.4
73.02820	1.2
74.98985	2.6
75.00761	2.0
78.95783	2.1
85.02798	1.3
89.02314	2.9
101.02364	2.9
109.02814	0.5
113.02361	1.8
117.03373	1.2
119.03382	0.9
121.02839	1.5
125.02350	1.4
131.03419	0.7
135.04391	0.9
136.99051	3.2
137.02332	1.1
145.02879	1.6
149.02353	2.0
150.03101	0.9
159.04440	0.9
160.01591	1.1
161.02354	20.6
161.04396	1.3
162.02664	0.9
163.03934	3.7
165.05479	1.3
166.02701	0.8
173.02347	3.2
174.03166	5.6
175.03925	7.5
177.01878	0.8
177.05440	0.7
179.05597	0.7
181.73065	0.6
183.04471	2.1
187.03951	3.0
189.01872	1.0
193.04965	1.2
197.11858	0.6
199.04082	0.7
199.78365	0.6
200.04718	21.7
201.01857	0.7
201.05194	1.2
209.11885	0.9
211.03940	29.6
212.04295	2.1
215.07079	30.0
216.07451	1.9
224.04631	1.2
225.05496	0.8
227.03423	1.3
229.04965	3.2
232.03709	1.8
233.04317	0.7
237.05623	0.9
237.08719	0.5
239.07106	1.1
251.07129	2.3
252.07736	0.7
253.08772	1.1
260.03357	2.0
265.08627	0.7
274.06381	0.9
275.07205	0.8
277.05109	0.7
277.08621	0.8
285.05591	2.3
285.22382	0.6
295.09793	6.6
296.10049	0.6
301.05066	3.0
302.05753	1.9
303.06567	4.5
308.17825	0.6
313.04913	0.7
314.05692	0.9
315.25403	0.6
318.05328	0.9
319.06046	1.5
327.25262	1.3
329.04532	38.3
330.05261	22.9
331.05978	8.5
332.06714	1.7
333.07452	1.0
342.05191	0.9
343.06030	0.8
345.04059	3.0
346.04733	8.4
347.05579	48.1
348.06314	43.9
348.10791	1.2
349.06781	3.9
351.06589	1.5
352.07050	0.6
355.05957	1.5
357.03967	3.1
358.04831	4.7
359.05301	1.1
370.04776	6.1
371.05356	1.5
379.05978	1.1
380.07001	5.8
381.07465	1.7
383.09207	1.3
398.07849	0.9
399.08508	4.2
401.10089	0.7
409.10843	4.0
426.32056	1.2
427.11838	88.9
428.12201	11.8
434.22006	0.6
444.12057	0.9
445.12888	100.0
446.13257	13.3
510.11368	2.1
547.30029	0.7
589.17139	2.1
590.17847	0.7
606.38037	1.8
607.18073	12.3
607.26434	0.6
607.38348	1.1
608.18884	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	606.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
58.00468	6.2
59.01248	100.0
61.98701	28.4
65.21056	0.8
70.02837	1.3
71.01252	64.4
72.01608	1.4
72.73601	1.0
72.99178	6.8
73.02813	3.9
74.98975	1.8
75.00741	11.7
78.95765	2.3
83.01241	4.0
83.04899	2.7
85.02824	14.2
85.06453	2.8
87.00745	4.9
88.03894	1.5
89.02313	63.2
93.03322	1.1
95.01257	3.9
96.95885	1.0
97.06430	0.9
99.00735	1.8
99.04440	1.3
101.02321	41.6
103.03880	1.4
108.08073	3.3
109.95670	0.9
113.02331	25.2
119.03389	31.2
119.04814	1.2
120.03694	1.8
121.02856	1.6
123.04420	1.3
124.07555	1.6
125.02303	3.4
126.09142	6.7
129.89226	1.0
131.03400	4.5
133.02840	2.1
134.03622	1.4
135.04405	2.9
137.02330	1.0
138.01965	1.0
138.09180	2.0
139.03912	2.2
143.03371	6.0
149.04430	2.4
149.06009	1.3
156.10175	1.9
158.03632	1.0
161.02339	6.9
161.04457	7.2
164.04640	1.0
165.01753	1.5
166.08620	2.9
169.01291	1.3
174.03098	4.9
175.00305	0.9
175.03912	12.6
176.04230	2.9
179.05553	14.5
180.37305	0.9
184.09779	0.9
187.03918	3.6
190.02576	3.0
191.03262	2.5
193.05013	1.2
197.19072	1.3
200.04662	6.3
201.05443	2.4
205.05014	3.5
206.05363	2.1
207.13773	1.2
209.11763	1.9
211.03958	3.8
215.07074	1.7
224.13689	2.1
225.18419	2.5
228.04259	1.6
229.05020	9.4
239.03426	2.9
239.20047	2.2
241.21718	10.5
251.07080	1.6
251.16422	1.5
253.08655	1.1
267.12512	1.2
268.03729	3.4
268.12741	1.6
269.13910	3.1
269.21286	1.0
271.22836	1.3
272.10110	1.2
273.10132	1.2
283.06064	5.1
286.23898	1.7
287.22256	7.8
302.05142	1.2
312.08725	1.9
312.25455	4.7
323.07697	5.8
328.24759	1.5
329.04462	1.7
330.05112	1.2
341.26358	1.8
345.04095	2.9
346.04657	4.8
347.05411	4.5
348.06198	1.2
357.26459	1.7
359.27936	2.9
396.31155	1.9
408.31287	5.8
426.32239	45.8
427.11850	1.2
427.32523	4.2
430.18085	2.5
431.19067	1.6
443.11609	1.1
444.11771	2.7
444.33298	19.9
445.12827	3.5
445.33661	1.3
509.10504	1.4
510.11618	1.6
546.29596	1.2
555.73840	1.2
606.17731	2.9
606.30341	4.3
606.38599	91.5
607.26807	3.2
607.39484	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	606.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.5
57.03307	4.2
58.00452	6.8
59.01250	100.0
60.00548	1.4
60.01587	2.2
61.98704	57.6
71.01254	85.6
72.99197	9.7
73.02809	5.3
75.00752	12.6
78.95766	4.8
79.30155	1.3
83.01264	4.0
83.04884	3.2
85.02815	14.8
85.06446	2.5
87.00743	3.5
88.03920	2.5
89.02319	75.5
90.02619	1.4
93.03377	1.6
93.48540	1.3
95.01258	6.3
98.02352	1.8
98.20513	3.4
99.00732	2.0
101.02323	48.6
102.02695	1.5
108.08070	5.6
109.02768	1.5
113.02331	27.8
119.03391	37.9
119.04840	1.8
121.02846	1.9
125.02354	4.5
126.09148	8.1
131.03400	3.6
133.02872	1.8
135.04379	1.9
137.02361	1.8
138.09186	2.3
143.03374	6.7
145.02858	2.8
149.04480	4.1
149.05893	1.7
150.03058	1.7
151.03908	2.0
152.01054	1.5
156.10179	2.9
159.04326	2.0
161.02359	9.0
161.04462	6.1
161.05727	1.9
163.03960	2.1
165.05461	1.8
165.09236	1.6
169.01237	1.5
173.02386	3.4
174.03146	6.0
175.03926	20.6
177.01860	2.3
179.03496	2.2
179.05527	18.4
184.09586	2.0
187.03973	2.5
190.02705	2.5
191.03342	2.6
191.05475	1.5
193.05023	2.9
200.04773	6.9
205.04927	4.2
209.11794	3.6
211.04068	7.4
211.20709	2.4
215.07077	9.7
224.04773	2.0
227.12891	1.8
229.05000	2.3
239.20097	3.3
241.21725	13.0
251.07169	4.6
253.08711	6.1
269.08142	7.1
283.10413	1.9
287.22238	7.3
295.09970	1.8
300.99908	2.3
301.05185	3.3
302.05399	2.2
303.06662	4.4
312.25381	4.9
327.25104	1.9
329.04520	29.4
330.05310	8.2
331.06015	2.5
335.05719	1.9
340.25571	3.4
341.27032	2.2
345.04132	4.2
346.04724	20.2
347.05579	41.0
348.06378	19.9
357.26154	1.9
370.04654	1.9
408.31189	4.9
426.32291	49.8
427.11877	25.1
427.32538	5.4
443.11185	2.5
444.11786	3.9
444.33246	23.1
445.12921	26.6
445.33572	2.9
449.19156	1.5
451.47552	1.7
509.10703	4.4
510.11716	19.8
606.17334	6.3
606.38599	92.0
607.17676	2.9
607.27185	8.0
607.39532	12.1
631.81079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
57.45520	0.6
59.01251	0.7
59.04204	0.5
69.78096	0.7
69.78404	3.7
73.90644	0.6
77.29643	0.6
78.95752	0.6
80.96351	0.7
87.32785	0.6
133.02861	1.0
145.02847	1.4
161.02321	1.7
165.96019	0.6
416.16428	1.3
429.17303	1.1
430.18124	0.9
457.20209	1.5
459.18179	2.0
471.18158	2.3
472.19110	0.8
473.19580	4.6
474.20279	1.7
485.19238	1.6
486.20746	4.1
487.21039	1.2
496.19333	0.8
499.17688	1.6
501.22626	2.5
503.21042	0.7
511.21310	2.0
513.19366	2.6
514.20148	8.6
515.20282	1.0
516.91003	0.6
518.19824	1.3
528.21460	0.7
529.22437	100.0
530.22791	19.3
532.21045	1.4
533.21954	2.5
561.25073	0.9
573.20911	0.6
605.23834	1.3
605.38281	3.8
606.39233	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	606.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01664	0.3
55.04001	0.2
55.73141	0.2
57.26692	0.2
59.01253	1.3
61.98701	100.0
69.79569	0.5
69.79980	0.8
71.01267	0.4
72.99203	0.2
75.00740	0.4
78.95776	1.1
85.02826	0.5
88.98713	0.4
89.02325	1.0
96.95911	0.5
101.02344	0.4
113.02261	0.3
119.03373	0.3
125.02328	0.4
136.98975	0.3
152.99496	0.5
154.22826	0.2
161.02330	0.3
173.02464	0.2
175.03952	0.8
209.11841	0.7
211.13393	0.3
345.04050	1.3
346.04477	2.0
347.05124	0.5
371.05615	0.9
372.06030	1.1
401.09958	0.4
443.11203	0.6
444.11569	1.1
509.10635	0.3
575.26764	0.3
606.38562	0.5
607.32343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.1
59.01242	10.8
61.98712	2.5
71.01253	5.5
71.51195	3.0
71.51552	2.8
71.95980	1.9
81.03339	3.5
83.01256	9.2
85.71540	1.8
89.02345	3.7
93.03331	14.9
95.01256	3.7
95.04893	2.3
95.77061	1.9
96.95901	8.1
97.02862	4.7
98.95426	2.5
101.02329	3.8
107.04967	2.5
109.02843	27.9
110.53180	2.1
111.00755	3.8
113.02396	2.1
117.03362	2.1
119.04913	22.7
120.05231	3.0
121.02824	3.5
123.00769	4.3
123.04402	14.2
125.02339	63.3
133.06509	4.2
135.02896	3.4
135.04420	6.8
136.83839	2.2
137.02344	28.1
143.04916	1.9
145.02808	10.6
146.03625	3.4
149.02341	8.2
149.06004	2.2
150.03096	3.4
151.03914	18.7
153.01907	1.9
159.04434	6.8
161.02332	5.4
161.05972	14.8
162.03156	2.4
163.03946	6.0
164.01105	2.4
165.01846	21.6
165.05528	2.1
166.02519	2.8
166.99734	3.4
167.03520	2.5
167.41228	2.3
169.01344	32.7
170.01668	3.3
173.04515	3.6
175.03873	2.7
179.03392	11.8
180.04196	8.2
185.06004	3.8
187.03928	8.7
188.04678	3.3
189.01917	2.3
190.02606	2.9
191.03474	3.1
191.05714	2.6
193.01373	3.8
195.06561	8.9
203.07072	28.9
205.04970	15.8
209.06041	2.2
217.01239	2.8
221.07977	3.2
225.07469	5.0
227.07129	4.8
227.12852	2.6
229.05077	4.1
231.03003	2.7
245.08141	22.4
247.06029	2.1
253.08609	2.1
271.06064	13.2
271.09738	3.2
287.14960	4.6
289.07169	100.0
290.07550	6.9
297.07742	10.1
301.07016	9.6
303.90732	2.4
315.08795	17.1
335.11389	4.3
341.06641	9.1
435.10770	20.1
441.08240	12.2
453.11890	91.5
454.12070	10.7
467.09384	2.7
513.17871	3.6
550.23761	2.4
605.12726	19.9
605.24628	7.6
606.13715	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
59.01244	64.0
60.99171	2.9
61.98695	17.8
63.48442	1.4
68.69724	1.2
69.22076	6.6
69.22511	7.3
71.01238	11.5
72.99174	1.7
73.02824	2.1
75.00744	5.4
78.95793	2.1
80.02509	2.0
81.03284	1.4
83.01271	2.9
83.04876	3.7
83.47017	1.5
85.02817	2.9
87.00759	8.1
87.89943	1.3
88.82082	1.5
88.98673	17.5
89.02305	12.5
95.01246	2.2
95.04883	2.4
97.02843	2.2
97.06448	2.5
101.02335	8.4
112.84811	1.5
113.02325	3.3
116.92775	2.1
119.03400	1.7
123.04370	2.5
123.08076	2.2
125.02335	3.1
125.09589	3.4
135.07997	2.4
137.05954	1.3
137.09584	1.6
142.68924	1.4
149.02327	1.7
153.12640	1.4
161.04419	3.9
163.11168	5.6
165.12769	2.6
171.10175	8.2
175.00249	1.6
175.03908	2.8
185.11720	4.4
191.10736	1.5
191.14360	3.5
205.04990	2.9
207.10251	2.0
209.11760	100.0
209.80606	1.4
210.12035	7.3
225.11215	2.3
227.12805	9.9
231.99953	3.4
237.11153	2.9
245.19135	10.6
247.02328	2.2
247.13403	1.9
253.09235	19.9
271.16724	1.4
289.18082	44.4
290.18335	6.2
307.19095	46.9
308.19412	5.6
309.20590	2.1
425.09125	1.7
441.09595	2.4
475.26443	1.7
543.27856	1.6
601.54144	1.6
603.29163	5.0
604.29938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.7
59.01248	69.2
60.99174	4.2
61.98698	25.0
66.96724	1.5
71.01249	17.6
71.98228	1.6
72.99172	2.8
73.02798	4.4
75.00742	6.3
77.03810	1.7
78.95767	3.0
80.02573	1.7
81.24716	1.6
83.01261	3.2
83.04898	5.8
84.87495	1.9
85.02804	5.8
87.00756	4.4
88.00285	1.9
88.98672	24.3
89.02316	16.9
95.04875	2.4
96.95868	2.5
97.02811	2.1
97.06440	4.2
101.02310	12.6
109.02852	1.7
109.06490	1.7
109.42411	1.6
111.08031	1.9
113.02323	5.8
116.92766	2.9
119.03384	3.8
123.04395	3.8
123.08044	2.6
125.02305	4.7
125.09597	5.7
125.87260	1.9
135.08002	2.5
137.02321	2.4
137.09613	5.0
139.99706	1.7
160.72591	1.8
161.02353	2.3
161.04495	5.2
163.11229	9.8
165.12738	1.9
171.10172	6.9
175.03935	3.9
179.05511	2.1
181.12372	3.0
185.11725	8.1
191.14346	8.5
192.42456	2.2
207.10283	2.9
209.11757	100.0
210.12115	5.9
212.74091	1.7
225.11241	2.7
227.12790	11.2
237.11287	2.8
245.19084	17.0
253.09280	31.3
254.09512	2.3
263.20081	4.3
271.17004	2.4
283.10272	2.4
289.18079	77.1
290.18604	8.7
307.19122	77.7
308.19449	10.0
312.29492	2.0
393.07855	1.8
441.09717	5.3
445.20688	2.3
471.34402	2.2
543.28009	3.1
556.66650	1.9
603.15155	2.8
603.25183	2.7
603.34900	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	603.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11993	0.6
54.48822	0.6
57.03337	0.6
59.01253	4.8
60.56434	0.5
61.98700	5.5
62.05833	0.5
67.01775	0.6
71.01263	2.2
71.51305	0.9
72.99196	0.9
75.00748	0.7
77.30280	0.5
81.03340	0.8
85.02840	1.3
87.00731	0.8
89.02343	1.2
93.03325	6.3
95.01265	1.4
95.04903	0.9
96.95885	3.2
101.02323	1.2
108.02041	1.7
109.02843	4.3
111.00793	0.8
113.02335	0.9
119.01297	1.2
119.04912	0.8
121.02840	22.9
122.03626	14.0
123.00769	1.3
123.04442	3.0
123.08075	0.6
124.01593	1.2
125.02325	6.1
133.02826	2.9
134.03656	1.7
135.00800	0.9
135.04428	3.2
136.01541	2.9
137.02333	5.2
139.00330	0.8
139.03932	1.0
145.02852	2.2
147.00806	0.8
147.04498	0.7
148.01628	0.7
149.02344	36.2
149.05986	2.4
150.03123	92.4
151.00241	1.3
151.03702	4.5
152.03448	0.6
153.05466	1.4
161.02336	1.8
161.05995	1.0
162.03003	0.6
163.03963	1.8
164.01068	1.6
164.04707	10.9
165.01837	16.4
165.05475	100.0
166.06259	61.9
167.06766	4.5
168.00583	0.7
169.01303	5.9
172.03558	0.6
173.02336	1.1
173.04465	1.5
174.03145	2.0
177.01845	4.7
177.05467	1.7
178.99809	0.7
179.03415	11.2
179.07019	1.7
180.04196	18.6
181.05109	4.4
181.08620	35.7
182.08917	2.2
189.01886	2.7
190.02524	0.7
191.05516	2.2
193.01389	0.7
193.04752	0.8
194.05766	4.5
195.06549	93.3
196.06889	5.2
205.05037	3.5
207.06557	0.8
210.05272	1.2
217.01399	1.9
219.03020	0.7
225.07637	7.7
249.11507	0.7
253.04984	1.0
271.02609	1.0
271.06134	0.9
281.04388	0.8
285.07681	1.1
297.07547	1.1
299.09283	1.8
300.10001	1.1
300.99890	0.9
301.10690	2.8
315.08698	1.0
323.05505	1.4
328.09564	0.8
329.06573	0.9
329.10284	12.3
330.10840	1.5
341.06693	2.8
343.11746	4.6
344.12604	11.0
345.12991	1.8
358.10474	1.1
359.14996	38.3
360.15259	3.5
373.12891	43.4
374.13232	5.4
403.14151	0.7
407.17102	3.7
421.15018	9.0
422.15308	1.1
451.10385	2.5
523.19867	0.8
555.22296	17.3
556.22626	2.5
603.14313	1.4
603.23798	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	603.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27312	0.5
59.01236	1.4
61.98703	3.1
73.38642	0.6
78.95762	1.1
85.02841	0.7
94.47051	0.6
98.19845	1.4
111.04436	0.8
117.03358	1.3
135.04419	0.7
137.43054	0.6
145.02840	1.3
147.04341	0.9
161.02348	16.5
162.02724	1.0
163.00333	0.7
173.04448	1.1
174.03035	1.0
175.03882	2.1
187.03957	1.5
189.01927	0.9
191.05713	0.7
211.03918	1.0
223.07471	0.5
224.04726	7.4
225.05228	0.9
237.05585	1.9
239.07079	18.9
240.07410	1.6
248.04944	0.7
249.05530	1.3
250.06285	1.4
251.07094	4.8
253.05011	0.9
261.05493	1.6
261.65485	0.5
265.05026	1.8
267.06567	4.4
277.08707	4.9
278.09100	0.8
279.06650	8.8
309.14697	0.6
311.07169	0.9
313.05026	0.7
318.80075	0.7
324.07907	0.6
327.06717	1.3
329.04608	1.1
332.07959	0.7
335.07043	1.5
336.07901	0.7
339.06546	1.7
340.07196	1.8
342.05417	1.9
343.05865	0.7
345.04016	15.3
346.04578	6.0
347.05237	1.5
349.08551	1.3
350.05563	1.2
351.06659	2.0
352.07257	1.7
353.08179	1.4
354.05209	1.3
355.06058	5.4
356.06699	1.4
357.03922	3.8
358.04739	2.3
359.05609	1.2
361.08719	0.7
362.05942	1.0
363.06519	2.4
364.07489	2.4
365.08276	1.1
366.05289	2.3
367.05954	2.9
368.06717	3.4
369.07440	1.0
369.11392	1.2
370.04803	1.4
371.05508	2.0
372.06311	1.3
377.08200	11.7
378.08783	3.0
379.05814	7.4
379.09943	1.9
380.06781	10.6
381.07413	3.3
383.05576	16.4
384.06195	4.9
385.06671	0.9
385.10938	1.3
386.03644	1.2
391.06012	0.7
393.07791	1.0
394.04074	0.9
394.08951	3.1
395.09326	14.4
396.09796	2.4
397.06302	6.1
397.11722	5.2
398.07831	16.2
398.12598	1.3
399.08417	2.7
404.06674	1.0
405.07516	3.8
406.08282	1.2
407.05460	0.8
408.06274	4.7
409.07019	4.1
411.08893	1.3
412.05115	1.5
412.10275	3.5
413.10452	5.0
422.07971	0.8
423.08704	24.9
424.09271	3.8
425.06122	1.1
426.07446	4.3
426.74173	0.7
429.09814	5.4
430.09949	1.4
440.08932	2.4
441.09766	100.0
442.10092	16.7
471.34784	6.2
559.16150	0.8
571.14130	0.8
603.16077	9.7
604.15729	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	603.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72801	0.6
59.01233	2.0
61.98708	3.8
71.01254	0.9
71.51935	0.9
78.95778	0.9
107.08466	0.5
113.02324	0.5
113.29556	0.5
117.03333	1.0
120.33852	0.5
120.99540	0.6
135.04387	0.8
145.02850	0.8
145.62300	0.5
157.08669	0.6
159.04402	0.6
161.02357	18.8
162.02615	0.6
163.00331	1.2
167.03387	0.6
174.03230	0.7
175.03932	2.4
187.03981	1.6
189.01846	1.1
201.05507	0.6
211.03902	0.7
221.05910	0.6
224.04735	7.5
225.05257	0.9
233.06088	0.8
237.05524	2.1
239.07098	22.1
240.07433	2.0
248.04726	0.9
249.05486	1.7
250.06332	1.0
251.07167	3.0
261.05569	1.2
262.06329	0.6
265.04974	1.3
267.06592	2.1
277.05618	0.8
277.08630	6.4
278.09015	0.6
279.06628	9.6
280.06958	0.9
301.05109	0.9
307.71866	0.5
311.07028	1.2
320.08267	0.6
323.07141	1.0
327.06482	1.2
329.04666	1.6
330.05490	0.6
333.09189	1.1
335.07047	1.7
336.07797	1.2
338.05939	0.6
339.06516	1.8
340.07382	1.5
342.05313	3.5
343.05829	0.8
345.04022	17.3
346.04660	6.5
347.05304	0.8
349.08734	1.7
350.05499	0.8
350.09421	0.8
351.06631	2.7
351.10342	0.5
352.07385	1.9
353.08130	2.1
354.05273	0.8
354.09003	0.7
355.06030	6.9
355.09796	0.8
356.06668	1.3
357.03729	3.2
358.04959	3.5
359.05630	1.4
362.05823	1.4
363.06491	3.4
364.07208	3.0
365.08212	1.2
366.05222	3.2
367.06018	4.0
368.06879	3.2
369.07416	1.7
369.11435	1.3
370.04684	2.6
370.08813	0.7
371.05566	1.9
372.06415	1.9
376.07281	1.1
377.08139	10.6
378.08923	3.0
379.06061	8.9
379.09933	1.9
380.06772	11.4
381.07672	5.2
382.08499	0.9
383.05554	18.4
384.06018	5.9
385.07141	1.4
391.05984	1.2
392.06656	0.5
393.07745	1.9
394.04095	0.7
394.08728	3.6
395.05310	1.7
395.09436	13.2
396.05933	1.5
396.09866	1.9
397.06931	7.9
397.10944	10.7
398.07700	16.9
399.08350	2.0
405.07764	3.9
406.07974	0.6
407.05746	1.2
408.06223	5.7
409.07068	3.7
410.08029	0.7
411.04541	0.8
411.09116	0.9
412.05667	3.0
412.09622	3.1
413.05734	0.7
413.10559	3.9
414.11069	0.7
422.08185	0.8
423.08734	26.8
424.09174	4.7
425.06396	1.3
426.07144	4.2
427.08002	0.9
427.13458	0.6
439.03961	1.0
440.04483	2.0
440.09634	2.9
441.09808	100.0
442.10156	15.5
471.34729	5.2
506.08545	0.5
508.10486	0.7
575.15540	0.6
603.14124	2.2
604.15637	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	603.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70845	1.2
59.01236	5.1
61.98700	13.7
64.19300	1.2
69.03333	1.6
70.42191	3.0
70.42590	3.2
71.01257	4.0
72.99174	2.8
77.38329	1.4
78.95765	2.5
85.02824	3.7
89.02293	1.4
90.52548	1.5
93.03329	3.6
94.27052	1.3
101.02286	1.4
117.03311	2.4
125.02329	2.0
145.02838	2.3
146.58099	1.2
161.02338	39.7
162.02716	1.5
169.05307	1.4
171.10159	1.7
174.03099	1.3
175.03891	1.8
176.04669	2.4
182.69652	1.3
187.03920	1.6
189.01834	1.7
190.02652	2.5
191.05544	9.3
205.04938	4.6
211.13300	2.3
224.04718	3.1
237.05522	1.7
239.07126	4.9
251.07120	2.9
265.05118	1.9
267.06467	2.4
277.08600	2.0
279.06531	2.5
300.99927	1.8
335.07169	1.4
336.08160	1.4
340.07498	1.6
341.04041	1.5
341.08044	1.6
345.03992	4.4
346.04718	3.9
348.07663	1.5
350.05893	1.8
351.06409	1.7
352.07275	2.2
353.08292	2.3
355.06003	5.6
357.04044	9.0
360.08014	1.4
363.06577	1.7
364.07437	1.9
366.05145	3.9
367.05750	2.7
368.06802	2.0
369.07657	2.7
370.04575	11.0
370.08609	2.3
371.05182	2.8
376.07272	2.4
377.08173	8.1
379.05902	9.3
379.09668	2.5
380.06711	6.9
381.07208	2.6
383.05502	36.2
383.09845	3.5
384.06110	7.0
385.10846	8.0
391.05859	1.8
394.08783	6.2
395.05896	3.0
395.09540	16.6
396.09692	2.2
397.07083	70.0
398.07861	100.0
399.08276	15.2
405.07495	2.9
408.06128	1.6
409.07214	1.8
411.08804	8.3
412.05093	3.4
412.09506	4.6
413.10159	4.8
423.08655	26.1
424.09070	2.8
429.09842	8.3
441.09775	49.3
442.10095	8.1
471.35065	2.2
487.34503	3.0
603.14990	13.2
603.28259	4.3
624.49762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73437	0.7
57.03319	0.8
59.01245	2.9
61.98705	1.1
69.03330	1.8
71.01244	1.1
71.51421	1.0
71.51783	0.7
73.02847	0.8
79.95596	0.7
83.01251	0.7
84.18794	0.7
89.03835	1.8
95.01239	1.0
95.04922	1.2
96.95883	5.1
97.02802	1.6
101.02317	1.2
106.36649	0.8
107.01268	0.8
108.02080	1.1
109.02831	25.4
113.02315	1.2
117.03327	0.9
119.04916	1.1
121.02853	1.4
123.00790	3.5
123.01616	0.7
123.04399	10.8
124.01556	1.3
125.02327	54.3
126.02668	2.2
133.02831	10.5
135.04417	1.6
137.02309	1.7
145.02864	12.7
147.04434	2.8
149.02393	1.6
151.03937	6.6
159.04448	2.1
161.02330	6.1
165.01854	1.6
165.05446	0.8
166.99742	1.4
169.01326	100.0
170.00415	0.7
170.01634	4.0
175.03923	2.0
176.01047	1.8
177.01842	86.6
178.02246	4.0
187.03940	4.2
189.01848	53.1
190.02554	11.4
191.03424	8.4
193.01337	8.3
201.01877	6.9
202.02614	0.9
203.03410	6.7
205.04955	0.7
216.00533	6.2
217.01358	41.0
218.01811	3.7
219.02907	12.7
220.03320	1.2
231.02921	11.5
232.03453	1.1
243.03151	0.9
245.08130	1.0
251.07021	1.3
253.04903	1.5
255.03011	4.7
271.06131	0.8
275.05563	1.2
281.04385	1.7
282.01627	1.1
287.05594	1.9
289.07187	1.7
297.04312	3.3
297.07184	0.8
299.05548	2.4
303.04956	1.5
305.04492	0.8
315.05035	1.2
323.05573	42.5
324.06055	4.1
324.13788	0.8
327.04935	1.1
339.04944	1.0
341.06604	67.0
342.06934	7.0
383.03952	1.9
391.69641	0.8
433.09195	11.8
434.09561	2.1
435.10757	1.3
449.09009	1.1
451.10303	61.4
452.10580	8.8
493.07697	8.1
494.07791	0.9
603.11304	33.1
603.25610	1.6
604.11774	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	602.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14909	1.6
61.98699	100.0
69.07589	1.4
213.34219	1.4
223.39238	1.4
233.45895	1.6
429.15723	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	603.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59380	0.6
59.01258	3.1
59.91434	0.6
61.98704	1.7
67.37261	0.6
69.03324	1.6
71.01241	1.4
76.44511	0.5
81.03316	1.1
89.02319	0.8
89.03857	1.7
95.01275	1.8
95.04939	0.9
96.95887	4.4
97.02845	2.0
98.19729	0.9
101.02351	0.8
107.01295	0.6
108.02081	0.7
109.02834	26.1
110.03134	1.0
112.52296	0.6
117.03332	0.7
119.04921	1.3
120.99625	0.7
121.02838	1.1
123.00784	3.2
123.04411	9.8
124.01519	0.9
124.04718	0.6
125.02339	56.3
126.02650	1.5
133.02850	8.1
135.00804	0.8
135.04417	2.7
137.02348	1.5
144.23802	0.6
145.02864	13.5
147.04391	2.8
149.02345	1.6
149.67636	0.6
150.03160	0.7
151.03929	7.2
159.04451	1.6
160.01704	0.6
161.02367	6.4
165.01865	2.0
166.99782	1.7
168.00616	1.0
169.01343	100.0
170.01682	4.0
173.02409	0.9
175.03912	1.8
176.01050	1.4
177.01852	80.2
178.02214	4.1
179.06763	0.6
187.03940	3.6
189.01862	53.0
190.02545	9.2
191.03435	9.0
192.03818	0.8
193.01344	7.4
201.01875	5.7
202.02438	0.9
203.03419	5.7
216.00606	5.6
217.01364	38.6
218.01883	3.0
219.02916	12.9
220.03287	0.9
231.02910	10.6
232.03523	2.0
233.04353	0.9
243.03102	0.9
245.04582	1.1
245.07704	0.6
251.07224	0.8
253.04858	0.9
253.20677	0.7
255.02985	5.0
259.06076	0.8
261.05438	0.7
271.06308	0.7
275.05533	1.2
281.04425	1.7
282.01584	1.0
287.05515	1.5
289.07056	1.6
296.06769	0.8
297.04016	3.1
297.07294	1.0
299.05524	2.4
303.05127	0.7
305.04398	1.2
323.05579	44.6
324.05853	3.2
327.05005	0.9
339.05112	1.8
341.06631	69.3
342.07013	6.3
383.03998	1.9
433.09259	11.9
434.09497	1.6
435.10800	1.6
438.10718	0.6
449.08450	1.4
451.10330	58.9
452.10641	6.0
459.11560	0.8
477.08224	1.1
493.07751	8.5
494.07925	1.1
603.11255	29.6
603.25867	1.5
604.11700	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	602.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.9
61.98699	100.0
71.01260	2.6
77.72082	0.3
78.95775	2.1
80.85201	0.3
87.00763	0.6
89.02318	2.6
95.01328	0.3
98.20602	0.5
101.02331	1.4
113.02322	1.2
119.03393	0.9
120.31577	0.3
129.01851	0.5
143.03409	0.4
152.99506	0.9
171.10220	0.9
179.05493	0.8
277.21738	2.6
278.22028	2.1
281.08243	0.5
293.21155	0.4
308.41486	0.3
323.09857	0.7
332.25665	0.3
341.10776	1.5
342.11282	0.3
345.04047	0.5
430.21042	0.5
441.10013	0.4
442.10605	2.1
539.17108	1.4
601.46375	0.4
602.31305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
59.01245	3.7
60.50256	0.4
60.74693	0.4
61.98699	5.5
69.37879	2.4
69.38313	1.4
71.01236	2.7
72.99174	0.5
79.01765	0.9
79.95609	2.2
83.01263	1.0
85.02805	1.2
87.00727	0.9
89.02303	0.9
93.03339	0.5
95.01258	1.7
95.04894	0.6
96.95889	6.3
97.02807	0.7
98.20517	1.0
98.95458	0.5
101.02325	1.9
107.01272	2.3
109.02835	1.2
111.00759	2.2
113.02337	1.3
115.30121	0.5
121.47076	0.6
123.00768	11.0
123.04403	0.8
124.01581	0.6
125.01460	0.9
125.02335	13.9
127.00253	0.6
135.02847	0.7
135.04420	1.0
136.98714	1.0
137.02332	1.1
139.00294	2.7
140.01042	1.4
141.01814	1.5
149.02332	0.7
151.00284	7.9
151.03783	0.6
153.01863	0.6
153.09120	2.1
161.02425	0.5
161.04408	0.5
163.03963	0.6
165.05453	0.5
165.61891	0.5
168.00587	2.3
169.01340	16.4
169.02811	0.9
175.03889	0.6
177.01878	0.5
179.03346	0.5
191.03467	0.8
191.05498	1.1
209.55182	0.5
211.02440	1.4
225.14830	0.9
271.04617	1.2
289.07239	0.5
300.02673	0.8
300.99850	1.1
301.03464	0.6
313.05780	1.7
384.72464	0.6
539.21295	100.0
540.21686	14.9
553.88721	0.5
602.14594	3.1
603.14392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07736	0.2
52.08421	0.1
55.58078	0.2
58.30438	0.2
59.01260	0.2
59.09858	0.1
61.98700	100.0
62.29432	0.2
68.36377	0.1
69.79782	0.4
69.80180	0.8
71.01260	0.2
78.95773	0.4
100.93991	0.2
103.79348	0.2
113.02357	0.3
115.03079	0.2
138.07510	0.2
145.02840	0.2
151.53189	0.2
152.99518	0.3
162.23215	0.2
239.06982	0.3
345.04095	0.5
399.08578	0.4
441.09845	0.5
442.10544	2.4
443.10910	0.4
539.17328	0.9
553.44855	0.2
629.44208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65516	0.4
57.03323	1.5
57.18804	0.3
59.01247	100.0
60.01594	1.2
61.98701	9.1
69.03336	0.5
69.22153	4.0
71.01252	10.9
72.99186	1.6
73.02821	2.7
75.00739	0.7
83.01257	1.3
83.89443	0.4
85.02802	3.9
87.00746	0.7
89.02319	6.1
89.19913	0.4
90.62571	0.4
93.03355	0.5
95.01273	1.2
95.04893	0.8
96.95874	0.9
97.02841	0.8
97.06482	0.7
98.20592	0.8
99.00774	0.6
99.04393	2.2
101.02320	6.5
101.02932	0.6
109.02840	0.7
109.06483	1.2
113.02338	4.2
119.03420	2.2
120.99545	0.4
121.06491	0.6
122.29468	0.4
123.00790	0.5
123.04405	0.7
124.01566	0.7
125.02340	2.6
131.03442	0.6
133.02861	0.5
133.26695	0.4
137.02321	0.5
139.00270	0.5
143.03450	0.6
143.04921	0.4
145.02887	0.6
151.00240	0.5
152.01038	1.0
153.05460	0.6
157.02719	0.4
161.02348	0.8
161.04500	1.3
163.03986	0.7
165.01811	0.5
165.12753	1.2
168.00533	0.5
169.01346	1.5
171.10236	0.8
173.02344	0.6
174.03120	0.6
175.03943	2.5
179.05493	0.5
183.10156	0.7
185.02402	0.5
187.03992	0.7
189.02080	0.5
189.12794	0.9
191.03409	0.4
191.05528	0.7
191.10789	0.4
201.01855	1.0
203.03496	0.7
205.53813	0.3
207.13847	2.5
209.11754	6.3
210.12082	0.7
214.02516	0.4
218.02177	1.1
225.14903	7.9
226.15298	0.5
227.12830	31.4
228.13187	2.2
229.01419	1.2
231.03046	0.5
238.06299	0.5
251.12923	0.6
253.08842	0.6
257.08170	0.4
259.02621	0.9
267.06659	0.7
269.13898	1.5
271.02621	0.6
271.06958	0.7
271.09744	6.7
272.10052	0.6
273.00336	0.5
274.01428	0.5
275.02020	2.0
287.15027	1.2
299.99133	0.9
300.02451	0.5
300.99872	4.8
301.03033	0.6
302.00314	0.5
323.05579	0.5
324.02792	0.6
331.17545	0.5
373.18744	0.8
381.08228	0.6
391.03500	1.3
421.09811	0.5
583.31281	7.8
584.31494	1.4
601.32281	86.4
602.32666	15.9
602.42523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53032	0.4
51.63689	0.3
52.41442	0.3
57.03323	2.1
58.00472	0.6
59.01248	100.0
60.01565	0.9
61.98699	10.8
69.03316	0.8
69.22875	4.0
71.01251	12.5
72.99178	1.3
73.02818	3.3
73.37605	0.4
83.01254	1.5
85.02817	3.7
87.00753	1.1
89.02314	5.9
93.03338	0.7
95.01270	1.5
95.04921	0.7
96.95907	1.2
97.02850	0.4
97.06534	0.7
98.19828	0.6
99.00735	0.8
99.04401	2.4
101.02319	7.5
109.02848	0.7
109.06442	0.7
111.00804	0.5
111.04381	0.4
113.02318	4.0
119.03379	2.4
119.04922	0.4
121.02879	0.7
121.06493	0.4
123.00736	0.5
123.04410	1.0
125.02347	2.9
133.02870	0.5
135.02893	0.4
135.04442	1.0
137.02347	1.0
143.03447	0.6
145.02864	0.7
147.04532	0.7
149.56720	0.3
152.01038	1.6
153.05516	0.5
159.04379	0.5
161.02350	1.1
161.04459	1.2
163.03868	0.5
165.01918	1.0
165.12724	0.8
167.10730	0.5
169.01338	1.7
171.10179	0.5
173.02499	0.4
174.03163	0.9
175.03854	2.6
179.05522	0.8
183.10266	0.5
189.01895	0.8
189.12820	0.6
190.02734	0.5
191.05501	0.8
201.01892	0.6
203.03423	0.6
205.05104	0.5
207.13844	2.7
209.04602	0.5
209.11760	6.5
210.12120	0.6
217.01294	0.4
218.02144	0.6
225.14917	6.5
225.17067	0.4
226.15353	0.5
227.12833	29.7
228.13205	1.8
229.01384	1.0
242.02243	0.4
251.12944	0.6
253.05017	0.6
253.08862	0.5
257.00946	0.7
257.08105	0.6
259.02515	0.7
267.06631	0.9
269.13919	1.7
269.17648	0.6
270.99203	0.4
271.02438	0.8
271.09741	8.1
272.10175	0.8
274.01089	0.5
275.02029	1.8
287.15073	0.9
287.86859	0.4
295.06155	0.6
296.06430	0.5
299.02017	0.4
299.99197	0.8
300.99835	5.8
301.03040	0.6
302.00186	0.6
314.04422	0.5
316.05255	0.6
318.87073	0.4
319.05896	0.4
331.17712	0.8
356.25003	0.4
373.18607	0.9
381.08365	1.1
391.03268	1.7
439.10709	0.4
449.09937	0.5
488.30020	0.4
552.28687	0.4
583.31256	7.5
584.31622	1.2
601.32294	82.6
602.32648	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	601.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92516	1.4
51.48910	1.3
52.33622	1.6
54.87883	1.5
57.03318	2.8
59.01250	77.2
61.98719	7.9
61.98964	1.5
71.01254	11.5
71.51336	1.5
73.02818	10.0
75.00747	2.1
83.01254	12.8
85.02808	8.0
87.00738	2.9
88.98666	1.9
89.02305	2.2
93.03331	3.1
95.01266	2.5
96.95871	7.8
99.04383	2.0
101.02304	8.5
101.04179	3.5
107.01270	5.5
108.02048	4.4
109.02816	4.3
109.99999	1.9
111.00764	13.3
113.02310	5.3
119.04914	2.0
120.16670	1.3
120.99518	2.5
121.02810	2.8
122.03619	1.8
123.00774	2.2
123.04383	4.8
124.01554	2.2
125.01486	1.6
125.02350	24.2
130.25142	1.4
133.02835	2.5
134.03636	2.5
135.04402	12.1
137.02356	6.9
137.99423	1.9
139.00270	73.4
139.03926	1.9
139.07489	1.4
140.01070	9.5
145.02774	1.6
149.02356	6.3
150.03133	17.4
151.00267	16.0
151.03874	3.7
152.00993	4.8
153.01843	37.5
153.05443	3.1
154.02618	75.4
155.03427	15.4
159.04457	1.9
161.02359	4.3
161.04454	2.6
163.03944	3.4
164.04742	2.5
165.01874	6.2
165.05493	24.7
166.02588	4.8
166.05798	2.3
167.03392	8.6
167.10681	3.1
168.00589	2.0
168.04196	13.1
169.01343	17.5
169.04988	61.5
170.05327	3.7
175.03947	2.3
175.07558	1.4
177.01845	5.8
178.02658	2.5
179.03401	4.0
180.04173	5.3
181.05022	11.8
183.10194	3.2
189.01842	2.4
190.02469	1.5
191.05534	2.0
192.47530	1.6
193.01331	2.3
193.04980	1.8
195.06555	18.5
203.05450	2.2
207.13855	3.1
209.11719	7.5
214.82739	1.5
216.03963	1.5
217.01447	2.0
225.07729	2.7
225.14825	10.4
227.12862	51.9
228.13168	4.0
251.12766	3.2
269.13992	8.6
270.98737	2.8
278.39633	1.5
287.05618	5.9
287.15018	11.3
288.15219	1.8
298.98337	4.7
299.07959	1.8
299.99048	5.8
300.99805	5.2
301.03561	2.0
312.99954	4.7
313.05695	6.8
313.09418	4.3
314.00684	3.9
315.01437	2.7
327.12244	2.2
328.07065	1.4
359.09976	2.1
369.09900	1.6
371.17099	1.6
373.11478	2.6
375.14813	2.2
407.07742	4.0
431.19360	4.1
439.08401	2.7
509.18741	2.0
583.23755	12.3
584.24554	3.3
601.12347	9.9
601.25037	100.0
602.12482	1.9
602.15729	2.1
602.25415	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	601.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19230	0.4
55.01744	0.6
57.03316	8.2
59.01245	11.1
61.98692	6.2
65.00196	0.8
69.03336	0.4
71.01257	4.1
71.05756	1.1
73.02821	1.4
78.95753	0.6
79.95611	1.2
81.03332	3.0
83.01254	6.2
83.89926	0.5
85.02824	1.2
89.02324	1.7
93.03332	2.0
95.01261	1.0
95.04901	2.2
96.95883	21.6
97.02814	3.5
99.04405	0.8
101.02309	1.6
105.03295	0.8
107.01239	0.5
107.04932	0.6
108.02085	0.7
109.02830	14.0
111.00739	0.8
111.04362	0.6
112.23753	0.4
113.02316	1.2
117.03363	0.8
119.04904	0.7
121.02828	3.1
122.03657	0.6
123.00790	1.1
123.04401	7.8
124.01556	5.1
125.02331	72.9
126.02692	2.4
133.02867	1.2
134.03600	0.8
135.04434	3.9
137.02338	33.8
138.02892	0.8
139.00296	0.6
139.03912	5.6
140.00941	0.5
145.02859	19.6
146.03654	2.4
147.04414	1.3
149.02330	13.3
150.03084	1.5
151.00227	0.9
151.03920	6.1
152.01059	23.4
153.01375	0.8
157.06493	0.9
159.04427	5.2
160.05217	0.7
161.02327	3.8
161.04536	1.1
161.05943	6.7
162.03021	1.1
163.03909	1.2
164.01031	2.8
165.01820	7.8
167.03404	2.2
167.10686	1.4
168.00555	0.5
169.01353	1.3
171.10172	2.7
172.10507	0.6
173.02396	1.0
173.06070	1.4
174.03065	1.3
175.03912	4.1
175.07581	1.1
177.01860	0.8
179.03383	6.6
183.04474	1.2
185.02357	0.7
185.06023	3.3
187.03944	7.6
188.04666	1.8
189.01810	1.4
189.05554	0.7
191.03348	0.9
196.35130	0.5
199.07587	0.9
201.05437	1.9
202.06206	1.8
203.03400	0.8
203.07076	10.6
205.04982	6.3
206.05331	0.5
209.05968	1.6
209.11772	2.5
210.12061	0.9
211.04031	0.6
211.13405	0.7
212.04762	0.7
217.05093	0.7
221.08133	1.5
225.05569	0.8
227.07057	3.9
227.12836	2.2
228.07372	0.7
229.01627	0.7
229.05005	1.7
230.02155	0.7
230.05814	0.8
231.03001	1.0
235.48512	0.5
241.05048	0.6
245.08136	16.7
246.08508	1.1
247.06064	3.0
253.04980	4.5
254.05453	0.7
256.07397	4.4
257.07858	0.7
259.13632	0.6
269.08359	0.6
270.05215	0.5
271.03690	1.4
271.06122	60.2
271.09741	64.6
272.06467	4.7
272.10101	6.8
275.01978	1.7
283.13309	1.0
289.07156	100.0
290.07523	6.3
295.06049	0.8
300.99884	3.1
301.14410	0.6
313.07074	1.7
331.17920	0.6
375.21924	0.5
395.18613	3.8
396.19202	0.5
403.15430	0.6
421.16595	3.2
433.11319	1.9
439.10709	3.2
439.17545	13.6
440.17834	1.8
451.12323	4.1
469.07294	0.7
491.16931	1.2
565.18939	3.4
566.19403	1.0
583.21759	1.7
601.13892	9.2
601.22729	1.7
601.31873	7.8
602.14569	1.6
602.32111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59551	1.1
57.03313	2.3
58.84340	1.2
59.01250	14.3
61.98706	8.0
65.00179	1.5
67.01753	1.9
69.03321	5.0
71.01246	6.0
72.99181	1.3
73.02814	2.7
74.98979	1.5
75.00748	2.0
78.95777	2.1
79.95593	5.8
81.03316	2.1
83.01244	4.0
85.02792	2.9
87.00740	1.9
88.98676	3.2
89.02322	2.2
93.03326	3.3
95.01247	2.3
95.04934	1.3
96.95896	28.4
97.02825	3.5
101.02334	3.5
107.01265	13.6
108.02069	5.2
109.02844	7.2
111.00752	2.0
113.02339	2.8
119.04905	2.3
120.99545	1.2
121.02831	2.4
123.00751	10.3
123.04410	4.4
124.01550	18.5
125.02339	100.0
126.02641	3.2
133.02832	1.2
134.03593	2.9
135.04439	11.5
137.02359	7.8
139.00203	1.5
145.02873	1.9
149.02373	2.8
149.99507	17.1
150.03133	7.2
151.00317	9.7
151.03928	2.7
152.01097	7.1
153.01855	2.6
159.04291	1.1
160.01608	1.3
161.02333	4.9
162.03128	1.3
163.03871	2.9
165.01825	11.1
165.05479	8.0
166.02591	1.5
167.03395	4.7
168.00549	55.5
169.01340	97.5
170.01627	3.8
174.03044	1.3
175.03885	3.2
177.01848	4.5
177.05524	1.3
178.02646	1.5
179.03348	5.2
180.04346	5.7
181.04935	2.7
189.01826	1.9
191.03378	1.3
191.05516	1.8
194.99257	10.9
195.06561	10.5
195.99660	1.2
196.07138	1.2
196.36740	1.1
210.05214	1.8
211.02220	1.3
211.05948	1.7
225.07643	4.6
225.14868	1.6
227.12843	4.2
229.01505	1.4
270.98801	4.0
271.02396	1.5
287.05402	1.8
287.15094	3.6
289.07196	2.5
297.97470	1.9
298.98349	8.3
299.01324	1.7
299.99106	6.7
300.02301	1.5
300.99829	6.9
301.07211	1.3
312.99808	5.0
313.05475	3.8
314.00644	5.8
315.01294	4.0
315.06989	1.3
331.06705	2.2
331.11819	2.1
337.12424	1.2
339.03577	4.5
345.13260	1.9
373.07687	1.9
407.07623	1.4
421.02167	2.9
431.18933	3.2
449.11169	3.4
475.08835	14.8
476.08896	2.2
479.17001	3.4
506.16013	1.7
509.18408	1.6
521.18182	3.9
539.21448	2.1
557.21796	2.3
583.21088	1.6
601.12927	21.8
601.21411	84.6
602.13293	4.9
602.21704	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	601.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.5
69.29681	0.4
69.75307	0.5
69.75653	2.8
71.01235	0.5
79.95607	14.9
95.95120	0.5
96.95887	100.0
108.02071	0.5
109.02814	2.9
110.97450	0.6
121.02829	0.7
125.02333	1.8
137.02275	0.7
163.13936	0.4
165.05537	0.6
169.01370	1.0
180.36823	0.5
211.02367	0.6
251.85568	0.5
281.08224	0.6
359.52399	0.6
378.90518	0.5
476.16769	1.1
479.16739	0.7
601.15509	51.7
602.15851	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	601.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96851	1.5
54.15515	1.5
57.03323	1.9
59.00960	3.2
59.01252	57.8
61.98701	10.0
67.01745	2.0
71.01247	6.8
71.51390	1.9
72.99179	1.9
73.02818	6.8
75.00737	7.6
78.95795	2.2
79.01778	1.6
83.01244	6.1
85.02837	2.3
87.42344	1.5
88.98695	1.6
95.01284	2.4
96.95889	35.3
96.96825	2.0
97.02840	1.6
99.04416	1.8
101.02316	4.1
107.01255	12.0
109.02816	4.5
113.02352	2.7
116.92744	1.8
120.99533	2.8
121.02878	1.9
122.03584	2.3
123.00801	10.9
123.04436	2.3
124.01571	1.6
125.02334	72.3
126.02673	2.0
129.38776	1.5
133.02779	1.9
134.03632	1.7
134.83893	1.5
135.02870	1.9
135.04398	2.9
137.02350	13.0
139.00208	2.1
140.01004	2.2
143.04944	2.1
149.02368	3.2
150.03195	8.5
151.00304	9.5
151.03831	2.4
152.01076	1.6
153.01826	1.8
161.02321	3.3
163.03908	2.3
164.01151	1.7
164.04610	1.8
165.01843	64.9
165.05450	6.8
166.02411	3.5
168.00508	4.6
169.01334	100.0
170.01657	4.4
170.14037	1.5
177.01834	2.2
178.99719	1.5
179.03400	12.7
179.06989	1.9
180.04201	34.7
180.07634	2.1
181.04938	6.0
191.05486	2.1
193.01360	1.7
194.05846	1.9
195.02940	1.5
195.06581	40.5
196.06972	1.7
203.03253	1.6
203.56265	1.4
207.13805	4.7
209.11766	7.3
210.05247	7.5
211.02383	16.0
212.02837	1.9
212.04703	2.6
225.07634	31.6
225.14937	9.9
226.02737	1.5
227.12820	38.4
228.13054	1.9
239.03291	1.7
251.12863	2.1
256.03531	2.5
269.08173	2.8
269.13943	11.9
270.14407	2.2
271.02136	2.0
271.04599	11.2
271.09671	2.4
287.14990	73.2
288.15369	5.0
297.07803	2.1
298.98514	3.3
299.98962	4.2
300.99814	6.0
301.99686	2.2
311.09125	3.4
311.14938	2.4
312.09924	2.4
312.99921	2.0
313.05579	8.1
314.00540	1.7
315.01495	2.2
315.08707	3.3
317.02914	1.8
327.08878	2.2
327.12387	2.3
329.10358	1.7
329.15945	6.1
330.10974	7.5
345.13409	33.2
346.13690	2.4
357.13354	14.0
359.17087	2.2
373.07568	4.0
375.14450	4.2
389.18246	19.8
407.07504	2.9
431.19138	5.0
439.15982	2.0
449.20285	70.6
450.20444	7.8
523.19885	3.9
541.18915	2.4
553.20715	22.0
554.21448	2.7
579.34766	1.5
583.20282	2.8
584.21045	1.9
601.21429	82.2
602.13678	2.4
602.22009	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	601.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60132	1.3
59.01228	5.9
61.98693	9.4
69.17262	16.3
71.01239	4.7
72.99176	1.4
79.95603	38.9
85.02783	2.1
93.03285	2.0
96.95890	40.8
98.20573	3.1
107.01253	4.5
108.02085	2.7
109.02834	52.1
113.02428	1.8
119.04930	2.2
123.00719	2.7
123.04357	4.1
125.02321	15.4
126.02672	3.7
136.98946	1.6
137.02361	2.9
138.03098	3.4
144.78868	1.4
149.02333	2.3
150.03148	3.6
151.00272	2.8
151.03893	2.9
161.02342	6.3
161.04465	1.4
162.03139	2.1
163.04010	1.7
165.01770	3.9
165.05452	2.8
166.02570	4.4
169.01282	11.1
170.76109	1.3
171.01811	2.8
175.03908	2.2
176.04576	1.3
177.05415	3.0
178.02571	3.2
179.03386	2.3
180.04152	4.0
181.05003	3.7
189.01834	4.0
193.04921	3.8
195.06502	4.5
200.00920	1.4
209.74460	1.2
211.06091	3.2
215.03398	2.1
225.07565	2.9
229.01112	1.5
253.08577	1.6
261.17538	1.6
270.98853	6.1
271.99081	4.2
272.99307	5.0
279.06613	1.7
283.04553	2.6
284.05106	2.3
285.05200	1.8
293.08063	2.8
298.98389	10.0
299.99042	66.9
300.99417	55.3
301.99631	55.6
302.99902	4.3
305.04352	1.3
309.07645	3.3
312.99911	7.5
314.00543	7.9
315.01385	56.1
316.01712	53.2
316.25388	1.5
317.01978	56.2
318.02261	2.6
321.04034	2.1
325.10736	2.4
339.08450	2.7
339.12234	2.8
354.10693	1.8
355.11844	2.3
379.07892	3.9
381.09567	1.6
421.01843	2.5
431.05078	4.0
439.10028	5.7
447.05667	15.4
448.06030	22.2
449.06186	63.6
449.12524	3.0
450.06342	4.0
479.17160	11.2
521.18097	12.6
601.14520	100.0
602.14600	19.3
602.23199	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
61.98696	6.2
70.99554	0.8
71.01250	4.9
71.51064	1.4
73.02817	1.4
77.72242	0.9
78.95768	1.4
83.01274	1.3
85.02806	2.4
89.02287	2.8
90.50198	0.8
96.70617	0.9
96.95856	1.3
99.00751	1.1
101.02307	3.3
113.02325	2.9
125.02310	2.9
161.04483	2.3
171.10165	9.8
175.03941	1.1
211.13300	9.6
212.13606	0.9
253.09227	1.5
281.08234	1.1
298.98029	1.0
299.98822	2.3
300.99802	2.5
339.06207	1.0
357.03964	1.5
365.04196	1.1
366.05200	1.9
367.05933	2.8
382.04767	7.3
383.05304	3.3
393.03879	3.8
394.04657	2.8
395.05603	16.5
396.05731	2.9
406.17267	0.9
407.93918	0.9
410.04221	27.9
411.04791	8.6
412.05762	1.0
421.03580	8.5
422.04019	1.8
427.52625	1.0
438.03769	42.9
439.04517	100.0
440.04837	15.5
469.31549	4.5
483.07059	2.4
493.84998	1.1
521.21704	1.1
583.09253	1.3
601.09784	40.0
601.35455	2.0
602.09912	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	601.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31264	0.5
52.59836	0.5
59.01247	2.0
61.30724	0.4
61.98711	4.5
71.01261	0.9
71.51056	0.7
72.99165	0.9
78.95782	1.2
96.95901	2.2
101.02338	0.6
106.32074	0.6
121.34938	0.5
125.02334	0.8
135.43831	0.5
149.02429	0.6
171.10133	2.6
182.53558	0.5
204.68202	0.5
211.13329	2.2
311.07062	0.8
326.06018	0.8
339.06668	1.1
351.06473	1.3
355.05969	1.3
365.04065	0.7
366.05313	1.2
367.06125	1.2
382.04593	2.5
383.05524	2.3
393.04047	3.3
394.04678	2.6
395.05508	17.5
396.05914	2.9
410.04233	16.9
410.09616	0.9
411.04837	7.6
421.03430	5.1
422.04037	0.7
438.03802	20.7
439.04514	100.0
440.04910	14.9
451.04559	0.9
452.05023	0.7
601.09814	25.4
602.10101	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	599.3431
Annotation	Nocardamine
Peak:m/z	Relative Intensity
55.01758	2.8
57.03321	2.6
58.00457	0.7
59.01251	14.6
61.98705	2.3
67.01776	0.2
68.99699	0.3
69.03336	1.1
70.66519	0.8
71.01252	39.2
72.01584	0.8
72.99182	1.8
73.02818	16.9
75.00751	1.4
76.90569	0.2
78.95792	0.4
81.03333	0.8
83.01257	6.5
84.02042	0.2
85.02821	18.0
85.99959	0.5
86.03157	0.2
87.00750	2.3
89.02316	7.5
92.38007	0.2
95.01264	2.7
96.95891	0.7
97.02836	2.1
97.06416	0.2
99.00758	8.4
99.04388	0.4
101.02322	30.5
102.02685	0.5
111.00754	0.9
113.02330	15.0
114.02603	0.3
115.03917	1.6
119.03397	0.4
123.04330	0.2
123.77645	0.2
125.02334	3.5
129.01799	0.8
131.03410	1.8
134.06126	0.2
135.02827	0.3
137.02377	0.4
143.03406	2.1
149.04471	1.2
151.03905	0.2
157.08580	0.3
159.02893	3.0
161.04465	16.8
162.04802	0.5
171.10158	1.5
191.05542	0.6
205.03474	0.7
209.11696	1.2
215.05589	0.3
233.06613	1.8
260.97763	0.2
267.68161	0.2
293.08923	1.2
299.99020	0.4
305.24765	0.4
315.01382	0.5
319.22440	0.3
447.05765	0.3
467.30130	18.3
468.30466	2.8
472.00967	0.2
511.29123	0.4
553.35522	0.3
571.21661	0.3
599.34363	100.0
600.34735	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	599.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62101	0.2
53.00203	0.2
55.01482	0.3
55.01755	6.1
57.03317	5.6
58.00469	1.6
58.02766	0.1
59.01249	33.8
60.01572	0.4
60.14709	0.2
60.86856	0.2
61.98698	0.9
66.13657	0.2
67.01739	0.4
68.99689	0.3
69.03324	1.1
69.79304	0.4
69.79721	0.7
70.20156	0.2
70.46973	0.2
71.01250	87.5
72.01577	1.2
72.99170	2.9
73.02815	29.8
74.03152	0.4
75.00738	1.4
81.03332	0.5
83.01252	13.6
84.02040	0.5
85.02818	44.2
85.99954	1.2
86.03149	0.7
86.92111	0.2
87.00744	3.4
89.02312	8.0
89.27771	0.2
95.01257	6.5
97.02822	2.6
98.20529	0.4
99.00753	13.1
99.04385	0.2
100.01073	0.2
101.02319	67.0
102.02648	1.2
103.03892	0.2
109.26114	0.2
111.00752	1.2
112.01573	0.2
113.02325	35.5
114.02648	0.9
115.03880	0.3
119.03382	0.2
125.02334	2.4
129.01840	1.9
131.03389	35.2
132.03731	1.2
134.81613	0.2
143.03383	4.2
149.04443	0.8
159.02888	9.1
160.03214	0.3
161.04456	71.0
162.04767	1.9
165.67621	0.2
171.10161	0.3
191.05484	0.6
205.03453	1.8
205.32741	0.2
297.11823	0.3
303.23297	0.7
347.25983	0.2
436.25717	0.2
443.49548	0.2
449.28824	0.2
467.30084	100.0
468.30417	14.6
509.31247	0.2
511.29028	2.1
512.29205	0.5
533.77081	0.2
599.34332	24.9
600.34668	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	599.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01244	10.0
61.98698	17.2
65.00202	0.7
69.16387	5.0
71.01257	3.3
71.02782	0.4
73.02802	2.1
81.03320	4.3
83.01254	6.2
84.37228	0.4
84.88229	0.4
85.02830	1.6
86.92679	0.4
89.02332	1.3
95.01276	0.7
95.04905	0.6
97.02827	0.7
98.20585	0.9
101.02303	3.0
107.01271	2.9
108.02067	0.6
109.02817	1.2
111.04410	0.5
112.15284	0.4
113.02361	1.4
115.67718	0.4
117.03343	0.9
119.03414	0.4
119.04904	0.5
120.99576	2.4
121.02829	0.6
123.00773	1.0
123.04404	30.9
124.04716	1.0
125.02335	17.2
126.02620	0.8
132.02054	6.7
133.02835	1.5
134.03625	16.5
135.04356	1.3
137.02364	0.9
138.06796	1.1
139.00259	0.8
148.96637	0.6
149.02374	1.0
149.05978	2.6
150.03133	0.8
151.00261	2.9
151.03922	0.8
153.09117	2.1
160.01567	43.7
161.02057	2.4
163.03941	0.5
165.01852	0.5
165.05457	0.9
167.03409	100.0
167.10739	0.7
168.03741	5.2
169.01328	7.5
171.10213	0.8
175.03918	56.9
176.04269	2.9
177.01765	0.7
178.02626	0.7
179.03442	1.0
183.10162	0.8
191.03456	0.9
191.07050	0.9
193.04984	16.4
194.05322	1.3
195.06624	0.6
203.07074	0.6
205.04839	0.6
209.04495	1.0
209.11752	1.3
219.02959	0.5
225.14915	1.7
227.12810	3.3
233.11967	0.4
235.06062	1.1
251.13000	0.6
269.13910	1.2
287.14981	3.5
288.15237	0.5
295.08371	0.5
299.99158	1.4
300.02487	0.6
309.07730	0.7
315.01428	1.0
371.09802	1.1
379.69522	0.4
390.92014	0.4
431.19162	3.5
447.05978	0.8
477.19351	1.0
484.35455	0.4
536.14905	0.7
563.24939	72.2
564.25244	12.8
599.07635	0.9
599.23260	21.8
600.23865	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	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
59.01249	25.0
60.01572	0.5
61.98705	8.6
62.22931	0.4
68.99707	0.5
69.03332	0.6
69.45212	3.7
71.01251	5.9
72.99175	0.9
73.02822	7.6
75.00735	1.0
78.37352	0.5
78.95760	0.5
81.03327	0.7
83.01257	10.4
83.69842	0.5
84.52618	0.5
85.02831	1.0
87.00735	0.7
88.98667	1.0
89.02335	1.3
93.03343	2.2
95.01266	0.8
95.04914	0.5
96.95899	1.9
97.02827	0.5
97.06438	0.6
98.20177	2.0
99.00785	0.9
99.04411	0.7
101.02325	5.6
108.02053	31.6
109.02900	2.9
109.06480	0.5
111.00745	0.5
113.02338	1.7
117.01807	0.5
117.03403	0.5
119.04931	1.4
121.02894	0.9
122.03695	0.6
123.00813	0.7
123.04413	17.2
125.02338	4.5
133.02861	0.9
135.02924	0.6
135.04428	1.1
136.01561	0.7
137.02333	1.3
139.00287	0.8
139.03963	0.7
145.02838	0.9
146.03679	0.5
147.08893	0.5
149.02330	1.2
150.03113	1.1
151.00235	1.4
151.03851	1.6
152.01057	64.5
153.01700	3.2
153.05463	0.5
155.03307	0.5
160.05161	0.5
161.02325	0.8
161.04436	0.8
162.03172	0.5
163.00320	0.4
163.03947	0.8
165.01825	0.8
165.05492	0.8
167.03409	100.0
167.10634	3.0
168.00526	0.9
168.03769	4.1
168.41663	0.6
169.01340	2.8
173.04539	0.6
175.03880	1.6
176.01100	0.6
177.01839	1.9
179.03407	0.7
181.04959	1.2
181.08687	0.6
183.10172	0.8
189.01813	2.0
189.05528	0.6
190.02637	0.8
191.05452	0.6
193.01427	0.6
195.06567	1.2
203.03403	0.8
205.04951	0.5
209.11784	1.2
211.06067	0.7
213.56480	0.5
215.03427	0.6
217.01418	0.8
223.09738	0.6
225.07510	0.6
225.14922	3.1
226.02905	0.6
227.12842	14.6
228.13196	0.6
233.11745	0.9
251.12761	1.6
255.02834	0.9
269.13959	5.1
271.02371	1.7
287.14999	12.9
288.15387	1.1
299.99323	1.2
300.02710	1.9
301.00037	1.0
301.03369	0.9
311.14944	1.4
315.01456	0.9
322.00906	0.8
329.15903	1.1
341.06448	2.2
367.08182	1.1
371.17032	2.2
393.06055	0.7
417.18228	0.5
431.19226	10.4
432.19287	0.9
435.10550	0.8
447.05200	0.7
463.07648	0.7
481.23514	0.7
487.10129	1.4
493.56076	0.5
581.14191	2.1
582.14441	0.9
599.08887	1.3
599.23413	16.0
600.23676	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.01249	9.0
60.12742	0.3
61.98700	14.1
65.00187	0.5
67.01774	0.3
68.99698	0.3
69.03294	0.4
69.26157	2.2
69.26568	0.4
71.01248	3.4
72.99195	0.3
73.02819	2.3
75.00738	0.5
80.02522	0.3
81.03326	4.9
83.01255	7.1
85.02833	1.2
87.00751	0.4
88.98695	0.3
89.02316	1.1
93.03362	0.9
95.01264	0.6
95.04903	1.0
96.95898	0.9
99.04394	0.7
101.02317	2.7
107.01265	3.4
107.04928	0.4
108.02041	0.4
109.02856	1.0
111.00781	0.4
111.04363	0.4
113.02321	1.0
117.03321	0.7
119.04915	0.4
120.99541	2.6
121.02824	0.5
123.00795	0.8
123.04406	32.1
124.04740	1.1
125.02332	17.4
126.02710	0.6
132.02051	2.7
133.02824	0.8
134.03625	6.2
135.04420	1.1
137.02332	1.1
138.06821	0.3
139.00363	0.3
139.03918	0.5
140.01035	0.3
145.02820	0.5
147.04364	0.3
149.02341	0.8
149.06000	0.7
150.03156	0.6
151.00270	2.3
151.03909	0.6
153.05424	0.3
153.09117	0.9
155.03314	0.3
160.01563	17.2
161.02336	1.3
161.04462	0.5
161.09642	0.3
163.03932	0.7
165.01834	0.7
165.05467	0.8
166.02655	0.3
167.03406	100.0
168.03738	4.8
169.01338	8.2
171.10193	0.6
173.02170	0.4
173.04504	0.3
174.03085	0.4
175.03920	20.9
176.04327	1.1
177.01927	0.7
177.05486	0.5
178.02518	0.4
179.03453	1.0
183.10164	1.6
187.03949	0.7
189.01888	0.3
190.02599	0.7
191.03476	0.8
191.05453	0.3
193.04988	5.7
194.05371	0.4
195.06599	0.4
205.05060	0.6
207.13864	0.5
209.04462	0.6
209.11742	1.3
217.01321	0.5
225.15022	1.3
227.12863	3.1
235.05988	0.3
243.63164	0.3
251.12793	0.5
269.13892	1.2
271.02530	0.4
271.09503	0.3
287.14944	3.3
288.15314	0.5
289.07159	0.5
298.37454	0.3
298.98685	0.3
299.99033	1.3
300.02463	0.5
300.99756	0.4
301.03235	0.3
309.07565	0.3
315.01501	1.8
316.01859	0.3
329.08878	0.3
329.16223	0.4
341.06772	0.5
358.05295	0.3
371.09763	1.1
371.16922	0.6
431.19244	4.1
432.19342	0.5
435.10538	0.4
437.01358	0.5
447.05634	0.9
477.19028	1.2
536.14508	0.4
539.34546	0.3
563.24921	23.5
564.25067	3.6
581.22583	1.0
599.07318	0.7
599.23303	23.4
600.23669	4.7
600.32709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80434	0.6
55.01744	1.2
57.03302	1.4
59.01247	17.1
61.98384	0.8
61.98700	14.5
63.75340	0.5
65.00179	2.2
67.01752	0.9
67.22773	0.6
68.99677	1.2
69.03319	2.8
71.01244	10.1
71.04899	0.7
71.51825	0.9
72.97938	0.6
72.99155	1.9
73.02805	2.2
75.00745	0.7
78.95782	0.7
79.01760	1.2
81.03316	1.1
83.01247	2.5
83.04895	2.0
85.02819	5.2
87.00734	1.9
88.00251	0.7
89.02306	3.8
93.03318	1.4
95.01254	4.0
95.04887	1.1
96.95893	1.9
97.02831	1.7
99.00761	1.1
99.04378	1.4
101.02319	6.3
107.01272	9.7
107.04853	0.7
108.02070	1.1
109.02820	2.2
109.06488	0.8
109.99978	9.9
111.00778	4.2
113.02325	4.4
119.03425	1.1
119.04913	1.2
121.02841	1.5
123.00772	13.2
123.04398	1.1
124.01546	3.2
125.02333	55.2
125.99474	1.4
126.02651	2.1
127.00259	1.6
133.02858	0.9
135.02864	0.8
135.04420	0.8
136.98701	6.2
137.02339	3.6
137.03239	0.7
137.99506	4.3
139.00266	7.5
139.03864	1.8
140.01064	7.7
141.01799	1.0
141.98885	0.7
143.03365	0.7
145.02797	1.0
149.02423	1.1
149.05972	0.8
151.00285	12.0
151.03870	0.8
152.01041	1.3
153.01817	1.1
153.05511	0.6
154.99701	0.8
155.03375	1.0
160.03947	1.2
161.02318	1.7
161.04474	1.8
163.11154	1.1
164.98155	1.2
165.01845	4.1
165.12767	0.7
165.98967	9.9
166.99690	1.1
168.00566	10.0
169.01337	73.2
170.01651	2.8
171.04382	1.5
171.10179	31.5
173.04427	0.9
174.03107	1.0
175.03941	3.8
177.01845	1.9
178.99777	1.1
179.03516	3.3
181.08647	1.0
183.02927	0.7
183.10188	3.1
189.01685	0.7
190.02496	1.0
191.03458	0.7
193.01411	1.2
197.05939	0.8
205.04961	1.1
209.11757	26.0
210.12157	1.0
211.02425	0.8
213.05487	1.5
223.02451	0.8
223.07642	0.7
225.87845	0.6
226.06322	0.7
231.08501	0.6
241.05043	7.7
241.08606	1.2
242.05608	1.3
243.06499	0.7
251.07121	1.1
251.16443	0.7
253.09216	1.1
255.06630	0.9
261.33615	0.7
267.06628	0.8
267.16110	0.8
269.04523	15.7
269.07626	1.3
270.05325	26.7
271.05930	6.1
271.09189	1.1
285.07690	29.2
285.11111	1.9
286.08072	2.4
299.99249	3.0
300.02435	1.1
300.99597	1.8
312.06393	0.9
313.05643	64.3
314.06012	5.1
315.01440	2.1
327.08597	1.0
357.25854	0.7
363.21732	1.1
447.06415	1.1
447.12830	6.9
556.21173	0.7
581.29755	1.8
584.12183	0.8
598.32715	0.7
599.14020	100.0
599.30298	6.8
600.14453	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	599.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13644	0.7
57.03281	0.9
59.01176	5.0
61.98627	32.9
61.98988	3.6
63.02198	2.1
65.00117	4.0
71.01162	2.6
71.01519	0.8
71.51858	1.1
73.02761	1.4
79.01702	0.7
79.95564	1.1
83.01182	2.6
85.02766	1.1
87.00631	1.0
89.02231	1.3
93.03249	2.1
95.01214	0.8
96.95889	4.6
97.02727	1.0
98.95423	1.1
101.02283	1.2
104.28712	0.7
107.01268	9.7
108.02058	1.3
109.02842	5.8
111.00670	2.0
113.02219	0.8
116.65887	0.9
119.04816	1.0
121.02832	9.5
123.00691	1.7
123.04338	1.9
124.01493	1.5
125.02335	21.7
127.00198	0.9
130.66847	0.7
133.02797	1.0
134.05774	0.7
135.00693	0.9
135.02826	0.7
135.04350	2.0
136.98535	0.7
137.02272	1.1
139.00194	1.6
139.03847	1.3
140.01006	1.6
145.02811	0.7
149.02240	2.2
151.00272	34.5
152.00722	1.8
153.01860	0.9
159.04401	1.0
161.02269	2.0
163.00281	5.0
163.03792	1.2
164.00876	1.0
165.01752	0.9
165.05363	0.8
167.03351	1.0
167.07056	0.8
168.00487	2.3
169.01344	30.7
170.01689	0.8
175.03938	3.6
177.01772	1.3
178.99788	17.5
179.03444	1.3
183.10179	1.0
187.03757	1.1
189.01759	1.0
190.99619	0.8
191.05357	1.1
191.06972	0.7
193.01314	0.9
193.04868	2.4
195.02750	0.9
199.19324	0.8
201.05431	1.2
203.03348	1.5
205.04892	0.9
211.03888	1.8
212.04614	0.7
215.03310	0.9
217.37633	0.7
227.03355	2.6
229.01245	0.8
229.04964	1.9
235.05968	1.0
243.02866	1.9
245.04454	3.2
255.02959	5.9
256.03516	1.1
257.04678	1.3
270.98773	2.0
271.02390	6.5
273.03976	3.5
275.01941	1.0
283.02286	2.1
283.04846	1.5
285.04050	0.8
287.01935	0.8
297.06030	5.6
298.98300	2.8
299.95590	1.4
299.99066	44.8
300.02686	12.1
300.99835	7.4
301.03491	100.0
302.03836	8.2
303.08701	0.8
314.00708	2.9
315.01459	49.8
316.01892	6.0
429.04639	3.0
447.05392	2.7
447.09845	2.8
599.10663	61.3
599.26367	3.6
600.11005	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.5
58.73094	0.4
59.01234	1.6
61.98701	9.2
63.02244	2.6
65.00196	4.0
69.45512	1.8
69.45940	1.4
71.01260	1.0
73.02816	0.6
75.53383	0.5
83.01253	3.2
85.02795	0.9
89.02305	0.6
91.01759	0.6
93.03321	1.6
95.01240	0.6
96.95876	1.1
98.19758	0.5
101.02330	0.8
107.01261	10.3
109.02850	4.3
111.00792	0.6
119.01237	0.6
121.02843	9.2
123.00742	0.8
125.02330	7.6
129.48868	0.5
132.02025	0.9
134.03625	1.1
135.00772	0.6
137.02357	0.7
139.00290	0.5
139.03903	0.9
149.02267	1.0
149.05977	0.9
151.00269	33.7
152.00645	0.8
159.04402	0.7
160.01566	4.3
161.02335	0.5
163.00259	4.3
163.03830	0.6
164.00897	0.5
165.01854	0.4
165.05440	0.5
167.03430	0.6
167.04924	0.7
168.99980	0.7
169.01337	9.3
170.01538	0.6
174.03223	0.6
175.00266	0.6
175.03920	5.7
178.99782	15.2
183.04436	1.0
185.06053	0.6
187.03951	1.2
191.03648	0.5
193.01251	0.8
193.04982	1.5
199.03851	0.7
201.05542	1.2
203.03416	1.4
205.05005	0.6
211.03909	1.7
216.00760	0.6
227.03423	2.4
229.04968	2.5
229.48177	0.5
231.02838	0.5
239.03465	0.6
243.02866	0.7
243.99979	0.9
245.04480	3.3
255.02948	4.2
256.03625	0.6
257.04395	1.1
270.98788	2.2
271.02499	1.5
271.99310	0.5
273.04022	2.8
283.02078	1.1
283.04919	2.4
298.98529	2.5
299.99112	45.4
301.03497	100.0
302.03876	7.6
312.99991	0.6
314.00610	2.1
315.01450	43.8
316.01797	3.6
335.26953	0.5
366.86240	0.5
429.04568	3.0
430.05054	0.6
447.05646	2.0
468.90918	0.5
563.24896	5.9
599.07697	11.2
599.23596	0.9
600.06445	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	599.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41284	0.4
52.78735	0.4
59.01257	0.6
61.98696	0.6
63.02268	0.4
64.55782	0.4
65.00197	1.3
67.04488	0.4
69.42595	2.5
71.01241	1.3
83.01234	0.9
96.95905	0.5
100.08071	0.4
101.02255	0.6
106.21980	0.4
107.01249	3.4
108.02052	1.5
109.02828	6.9
110.64738	0.4
113.02355	0.5
121.02844	1.4
123.00748	0.5
124.01586	0.5
125.02337	5.2
135.00774	0.9
136.53003	0.4
137.02264	0.7
148.01604	1.3
149.02376	0.4
151.00267	12.2
152.01019	0.9
153.01822	7.8
163.00311	2.2
164.01009	1.2
169.01321	7.2
171.04514	0.5
178.99754	6.1
183.04459	0.5
186.67891	0.5
187.03969	0.5
189.02034	0.5
190.99811	0.9
192.00638	0.5
195.02995	0.8
199.03970	0.7
201.05496	0.4
211.03983	0.7
216.04112	0.6
226.02652	1.2
227.03365	3.0
229.04979	0.8
231.03023	0.5
239.03450	0.5
243.02940	8.5
244.03561	0.5
245.04491	1.2
249.03976	0.7
254.02211	1.7
255.02954	25.4
256.03427	1.9
257.04556	0.6
271.02460	45.5
272.02921	4.2
273.03967	0.9
283.02435	2.7
284.03189	2.5
285.03989	3.1
297.06052	0.8
299.01993	1.5
300.02728	100.0
301.03445	34.6
302.03918	2.0
313.05649	1.3
316.02203	0.7
343.04486	0.6
353.16650	0.5
456.22565	0.4
463.08795	29.8
464.09109	3.0
599.10364	91.7
600.10669	12.6
628.91663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1043
Annotation	Orientin 2''-O-gallate
Peak:m/z	Relative Intensity
57.03313	1.5
59.01249	22.5
59.20979	0.6
61.67487	0.7
61.98701	13.4
65.00197	2.6
69.03324	1.3
71.01253	8.6
71.51945	0.9
72.99176	2.1
73.02810	2.5
75.00726	1.2
81.03327	2.1
83.01273	1.7
83.04887	1.0
85.02812	3.8
87.00741	2.1
87.01269	0.5
87.04380	1.0
88.75042	0.6
89.02330	3.8
93.03342	2.2
95.01275	1.5
95.04916	0.7
96.95882	2.4
97.02818	3.0
99.00755	1.0
101.02332	5.9
107.01262	10.3
107.04932	0.6
109.02847	3.9
111.00769	1.7
113.02320	3.8
119.03390	1.3
119.04910	0.7
121.02841	9.0
123.00772	5.1
123.04396	5.0
124.01566	0.9
125.02335	36.8
125.05883	0.8
126.02642	2.0
134.03616	0.7
135.02824	0.7
135.04402	1.6
135.72824	0.7
136.98747	1.2
137.02354	2.4
139.00261	2.9
139.11179	0.7
140.01050	2.2
149.02338	1.7
151.00284	6.6
151.03897	1.5
153.01901	0.7
160.47314	0.6
161.02357	1.2
161.04443	1.7
161.09615	1.0
163.00241	1.1
163.03941	1.1
165.01834	27.0
165.12839	1.0
166.02202	1.0
167.03419	15.8
167.04807	0.5
168.00555	2.7
169.01338	38.2
170.01701	1.6
171.04370	0.7
171.10167	11.7
174.03122	0.9
175.00238	0.7
175.03909	2.9
177.01817	1.0
178.99854	0.9
179.03502	0.9
183.02937	0.8
183.10214	3.9
185.02275	0.6
187.03958	0.8
187.11189	0.7
190.02576	1.0
191.03372	1.2
191.05402	0.7
193.01360	5.2
199.03926	2.1
205.05017	0.8
205.12288	1.0
209.11763	10.3
211.02336	1.1
215.03436	1.2
225.14938	1.3
226.02608	1.4
227.03439	3.7
227.12811	3.1
243.02939	6.3
254.02187	2.4
255.02888	2.9
256.03571	1.5
257.04361	1.0
269.04532	1.6
271.02460	52.5
272.02914	4.9
283.04556	15.4
284.04959	0.8
285.03961	2.7
287.05536	1.7
287.14948	1.7
299.01959	69.2
299.99097	2.0
300.02576	14.4
300.99622	1.4
301.02945	1.2
314.04306	65.5
315.01749	2.3
315.05042	59.2
316.05310	4.5
385.03586	1.2
386.03976	1.0
405.08264	2.1
447.09357	44.4
448.09653	5.0
513.52710	0.7
581.29883	1.6
598.28510	0.8
599.10394	100.0
599.22650	5.9
599.31342	15.7
600.10815	17.9
600.22388	1.4
600.31183	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	599.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.3
59.01248	29.7
60.01588	2.6
61.98701	1.0
63.02277	0.6
65.00214	0.7
67.01758	1.1
69.03321	1.6
71.01252	15.3
71.50916	0.6
72.01588	1.2
72.99181	1.6
73.02811	5.6
74.03123	0.6
75.00735	1.3
79.01759	0.8
83.01258	2.1
83.04887	0.7
85.02833	4.4
87.00748	1.4
87.37981	0.6
88.79157	0.5
89.02327	5.6
90.02663	1.2
90.53223	0.5
92.13859	0.7
93.03305	1.0
95.01269	2.2
96.95918	1.1
97.01699	0.6
97.02830	1.7
99.00734	1.0
99.04415	1.1
101.02328	8.4
102.02642	1.1
107.01259	8.3
107.04864	0.7
108.02043	0.9
108.64025	0.6
109.02855	1.8
111.00768	1.7
113.02344	4.4
116.92761	1.2
119.03394	2.1
119.04962	0.7
121.02814	0.8
123.00769	8.2
124.01569	0.9
125.02332	51.8
126.02686	1.3
131.03444	0.6
135.00858	0.6
135.04393	1.2
137.02324	1.1
139.00294	2.6
140.01041	1.6
141.01880	1.5
147.06567	1.2
149.02325	0.9
151.00273	11.1
151.03891	1.0
153.01778	1.2
159.04424	1.3
161.02293	1.0
161.04462	0.9
165.01813	1.2
165.07614	4.6
165.80132	0.6
166.07922	1.4
167.03497	0.9
167.28712	0.6
168.00551	2.7
169.01334	78.9
170.01720	3.3
177.01852	2.5
179.03444	0.8
179.05418	0.6
181.04898	0.9
183.04567	0.7
187.04016	1.0
189.07573	1.0
191.05586	1.7
193.01317	0.8
195.06519	0.7
203.03491	0.8
209.11842	0.8
211.02415	2.2
225.14903	1.6
226.15363	1.1
227.03450	8.3
227.12816	4.9
228.13156	5.0
229.05060	2.3
241.03427	4.5
249.03987	2.0
253.03616	0.8
255.02974	15.2
256.03656	3.7
257.04501	2.0
271.02322	1.2
283.02621	1.2
284.03259	25.0
285.03995	19.6
286.04306	1.8
287.15247	0.8
300.02402	1.1
301.03232	1.0
309.11942	1.9
310.12244	1.4
313.05649	20.8
314.05902	0.8
327.12964	1.7
328.13312	1.1
359.07895	1.2
369.14175	1.1
434.08014	1.0
435.08368	0.9
447.09235	2.7
448.09332	0.8
516.09503	0.7
523.04993	0.6
539.96265	0.7
580.26917	2.6
581.26904	1.7
598.27979	32.7
599.10388	100.0
599.27673	20.1
600.10773	17.2
600.26904	0.7
615.35187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.4
58.38092	0.3
59.01251	2.2
61.98700	9.2
63.02294	0.6
65.00249	1.8
69.62294	2.2
71.01239	1.6
72.99198	0.3
73.02859	0.5
78.95822	0.5
83.01322	1.1
83.02396	0.3
85.02846	0.7
89.02361	0.6
93.03391	0.9
95.01296	0.4
96.95962	0.6
96.96828	0.3
97.02858	0.4
98.20506	0.7
101.02368	0.7
103.04871	0.3
107.01257	6.5
109.02833	2.0
113.02419	0.5
119.03465	0.3
121.02847	3.4
123.00845	1.3
124.01591	0.4
125.02334	15.5
126.02709	0.5
132.02168	0.3
134.03702	0.7
135.00818	0.4
135.04425	0.3
139.00307	0.6
139.03847	0.3
140.01027	0.5
149.02426	1.1
150.03168	0.3
151.00267	14.8
151.03966	0.5
152.00758	0.5
153.12781	0.3
153.84959	0.3
160.01566	2.6
161.02461	0.5
163.00302	1.7
164.01051	0.5
165.01857	0.4
165.05469	0.3
168.00609	0.6
169.01334	14.8
170.01747	0.8
175.03941	3.6
176.01059	0.5
177.01953	0.5
178.99776	6.7
179.01291	0.5
179.03404	0.3
187.03970	0.6
191.05656	0.4
193.01266	0.4
193.05066	1.0
195.02994	0.3
200.01062	0.6
201.05501	0.5
203.03479	0.5
211.03966	1.0
216.00566	0.8
227.03455	0.7
229.04984	0.6
231.03020	0.6
242.99298	0.6
244.00128	1.1
245.04602	1.2
255.02963	1.9
270.98831	3.6
271.02359	0.6
271.99493	0.7
273.04019	0.9
283.04691	6.1
284.05099	0.4
285.00082	0.3
298.98340	5.2
299.01746	0.4
299.62045	0.3
299.99100	91.2
300.99539	8.5
301.03522	42.9
302.03818	3.8
312.99875	0.8
314.00638	4.5
315.01447	100.0
316.01785	8.3
343.11917	0.4
403.14053	0.4
429.04593	8.4
430.04767	0.9
447.05206	2.2
480.22141	0.4
563.24799	4.1
564.25177	0.4
599.06555	24.8
599.24005	1.0
600.06927	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	599.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.8
61.98696	2.3
68.97639	0.3
69.33990	1.3
69.34413	1.1
71.01260	0.4
73.02834	0.4
83.01277	0.5
85.02868	0.7
87.00765	0.3
89.02331	0.3
93.03355	0.7
95.01215	0.4
96.95907	0.8
98.19855	0.6
107.01270	1.7
109.02854	0.6
111.00756	0.4
119.08692	0.3
121.02865	0.5
123.00771	1.0
123.04428	1.0
125.02326	5.8
132.18150	0.2
139.00261	0.5
150.03175	0.3
150.83325	0.3
151.00238	0.9
151.03880	0.4
153.01759	0.3
158.78818	0.3
161.02396	0.4
168.00629	0.4
169.01331	4.1
175.03928	0.4
177.01869	0.3
181.08623	0.5
181.57854	0.3
189.01869	0.7
193.05029	1.0
195.06584	0.5
216.00597	0.6
217.01352	0.5
242.99260	0.6
243.03084	0.4
244.00015	0.8
255.02916	0.4
270.98813	10.2
271.01868	0.3
271.99316	1.0
283.04550	0.9
284.05045	0.4
285.00058	0.3
298.98318	19.8
299.99094	95.4
300.99509	8.4
301.03391	1.1
312.99988	0.5
314.00641	11.7
315.01440	78.2
316.01755	6.8
328.99088	0.4
334.21494	0.3
341.06717	0.9
342.07138	0.4
407.85309	0.3
435.10953	0.5
447.05609	100.0
448.05981	10.6
448.10672	0.3
487.10004	0.4
581.13739	0.4
599.06683	14.3
599.23401	1.2
600.06915	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	599.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.8
61.98706	1.7
69.03329	0.3
69.23904	1.3
69.24331	1.3
69.65092	0.2
71.01268	0.6
73.02787	0.5
75.00745	1.1
85.02816	0.5
88.98688	0.3
96.95953	0.4
97.02824	0.5
98.19839	0.5
107.01270	2.8
108.02087	0.4
123.00776	0.8
124.01512	0.3
124.56110	0.3
125.02332	11.4
126.02663	0.6
127.25050	0.3
131.94081	0.3
135.04402	0.4
137.02370	0.5
139.00328	0.5
140.01027	0.4
149.02325	0.3
151.00255	1.2
163.42014	0.3
167.03450	0.5
167.07114	0.3
168.00563	0.4
169.01343	9.6
169.02802	0.5
172.01567	0.4
175.03838	0.3
189.01804	0.3
195.02840	0.3
200.01068	0.4
216.00592	0.9
223.06050	0.4
228.72310	0.3
242.99353	1.0
244.00134	0.9
270.98822	8.5
271.99420	0.8
283.04562	3.7
284.39349	0.3
287.79974	0.3
298.98315	12.0
299.99091	100.0
300.99460	7.9
311.32684	0.3
312.82138	0.3
312.99893	0.8
314.00677	7.8
315.01443	95.0
316.01755	8.4
354.12885	0.3
370.85223	0.3
381.09766	0.5
423.76440	0.3
429.04587	4.8
430.04962	0.6
432.03552	0.3
447.05652	59.0
448.05975	6.6
518.67517	0.2
548.59943	0.3
599.06726	23.3
600.07043	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	597.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55754	0.2
57.03315	2.2
59.01249	100.0
60.01595	1.1
61.69689	0.2
61.98700	6.9
63.99147	0.2
69.84149	0.1
71.01248	2.8
71.52107	0.3
72.99210	0.2
73.02808	0.9
74.98975	0.2
75.00726	0.3
78.91756	0.2
79.95612	0.2
83.01287	0.2
85.02805	1.1
87.00764	0.2
88.98684	0.5
89.02320	1.1
95.01278	0.2
96.95910	0.6
98.37115	0.2
98.68758	0.2
99.00784	0.5
101.02312	1.9
108.02097	0.2
109.02831	0.3
113.02338	1.5
116.92731	0.2
119.03423	0.4
121.02866	0.2
123.04428	0.4
125.02349	0.6
125.05983	0.5
133.02785	0.2
134.03645	0.2
135.04459	0.3
137.02321	0.3
139.00298	0.2
145.02907	0.2
151.03949	0.2
160.01591	0.2
161.02383	0.4
161.04457	1.8
161.05704	0.2
163.03996	0.3
165.01891	0.2
165.05547	0.3
169.01331	0.4
174.03210	0.3
175.03920	0.8
177.01910	0.2
179.03392	0.2
179.05728	0.3
181.04991	0.3
183.10187	12.8
184.10576	0.6
185.11858	0.2
189.01904	0.3
190.02612	0.4
195.06680	0.2
205.05048	0.3
209.11859	0.3
209.15562	0.3
211.03937	0.3
217.01642	0.2
223.06093	0.2
227.12930	0.4
239.03459	0.4
240.15253	0.2
268.03830	0.4
283.06265	0.5
299.99008	0.2
300.99802	0.2
301.03241	0.2
331.19327	0.3
371.20706	3.3
372.21207	0.3
537.30847	0.3
597.19806	0.2
597.29871	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	597.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55346	0.4
57.03324	1.7
58.00447	0.6
59.01250	60.1
59.54757	0.4
60.01582	1.1
63.73666	0.5
68.44801	0.4
69.03313	0.7
69.36243	0.8
69.36646	3.1
71.01253	18.2
72.99191	1.4
73.02816	10.6
75.00762	0.9
75.98769	0.4
83.01280	2.8
83.04874	0.8
85.02821	7.1
87.00777	1.5
87.04399	0.8
89.02316	13.3
93.03371	0.6
95.01250	0.9
96.95892	0.5
97.02824	0.7
98.20515	0.7
99.00773	0.9
99.04407	1.4
100.91007	0.4
101.02322	12.6
102.40707	0.4
103.03898	0.9
109.02845	0.8
111.04463	0.5
113.02323	5.0
115.00272	1.0
115.92801	0.4
119.03395	4.4
119.04860	0.6
123.04404	0.5
124.01572	0.5
125.02333	1.6
131.03380	0.6
133.01321	2.5
135.02861	0.5
135.04393	0.6
143.03419	1.2
145.04996	0.9
147.04466	0.4
147.06532	2.8
147.72868	0.4
149.02374	0.5
151.00291	0.5
151.03885	0.4
161.04521	1.6
165.05524	0.5
165.07602	11.6
166.07947	0.5
169.01337	0.6
177.01837	0.5
179.05511	1.2
189.01897	0.8
189.05815	0.5
189.07648	1.9
190.02849	0.5
191.03448	0.6
191.05518	0.5
207.13873	1.2
209.11777	3.5
217.01295	0.7
225.14923	5.1
227.12834	21.6
228.13222	1.2
248.61398	0.4
251.12967	0.5
269.14011	1.3
271.02435	1.3
283.02441	0.5
287.15054	1.9
299.02106	0.5
300.02811	1.9
301.03455	0.8
309.11920	5.9
327.12933	5.5
328.13635	0.5
341.06595	1.8
361.14838	0.5
369.14084	2.2
433.07663	2.6
435.10852	1.8
459.09393	0.6
561.25610	0.7
579.26520	6.3
580.26953	0.9
597.27618	100.0
598.13245	0.7
598.27991	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	597.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.8
59.29554	0.6
61.98711	0.9
69.03239	0.6
69.73161	0.6
71.01242	1.7
72.99193	0.7
73.02824	0.9
75.00736	2.4
78.65391	0.5
81.03312	0.6
83.01218	0.8
89.02319	1.1
93.03327	5.5
95.04929	1.5
96.95879	2.3
99.00730	0.6
105.03337	0.8
108.02048	0.8
109.02834	13.5
110.03181	1.1
116.92731	1.3
117.03403	0.8
119.04899	2.7
121.02867	2.9
122.03623	1.2
123.04415	12.5
125.02328	2.5
133.02834	2.6
134.03696	0.8
135.02887	6.0
135.04399	1.6
137.02341	1.8
139.03954	0.7
145.02847	6.7
147.04405	2.5
149.02315	2.4
149.34436	0.6
150.03104	2.8
151.00288	0.8
151.03905	10.4
159.04436	1.4
161.02316	2.4
161.05972	1.6
162.02946	0.6
163.03886	8.0
165.01801	1.3
168.46516	0.6
169.01198	0.8
173.02345	0.8
175.03900	1.5
176.01047	1.0
177.01846	24.6
178.02185	1.4
179.03351	0.9
180.50107	0.6
183.04433	0.7
187.03885	3.8
188.04756	3.4
189.01854	27.6
189.05473	1.3
190.02602	8.2
191.03401	5.0
191.05516	1.4
193.30194	0.7
201.01837	0.7
203.03464	2.4
203.07076	1.4
205.05040	1.1
211.03918	0.8
213.05464	0.8
213.09085	1.1
216.00551	6.7
217.01353	18.5
218.02132	3.1
219.02924	8.7
222.01678	0.6
227.07086	2.8
227.12776	1.5
229.05017	3.6
229.08652	2.5
231.02975	7.6
232.03760	1.2
233.04453	0.7
235.07686	0.7
238.06512	0.8
239.07118	2.7
241.04951	2.5
243.06755	1.1
253.05031	1.2
253.08585	0.7
255.06633	2.9
268.03790	1.4
269.04700	1.1
269.08105	1.1
269.13950	0.9
271.03040	0.8
271.06128	15.1
272.06552	1.1
279.06662	0.6
281.04565	9.1
282.05136	1.4
283.06113	28.4
284.06516	4.2
287.14941	1.4
289.07150	5.1
297.07703	6.3
299.09161	1.3
300.02747	1.4
301.00037	0.8
301.03253	1.1
302.03500	1.1
311.05414	3.8
323.05780	1.9
325.07144	1.0
341.06631	100.0
342.06952	9.0
435.10822	77.7
436.11121	9.2
449.20062	0.7
461.10840	1.4
479.12167	1.0
503.11823	0.8
597.14301	3.1
597.24060	2.1
617.76617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.6
61.98707	6.5
65.00186	1.2
69.29504	6.1
69.29929	2.9
71.01234	3.1
75.00756	1.4
75.57961	1.0
81.04987	0.9
82.37336	0.9
83.01244	1.3
85.02795	0.9
87.00716	1.1
89.02304	2.0
89.03828	1.3
89.68723	1.0
91.07313	0.9
93.03336	9.3
95.01259	1.1
95.04893	1.9
96.95881	3.0
99.67562	0.9
101.02312	2.0
108.02038	1.4
109.02836	11.1
113.02328	1.2
117.03326	1.5
119.04909	2.5
121.02853	1.8
123.04409	9.3
125.02317	5.2
133.02837	9.0
135.00745	1.1
135.04373	2.2
137.02321	2.6
145.01682	1.5
145.02852	29.2
146.03142	1.5
149.02341	2.2
150.03136	2.9
151.00232	2.6
151.03926	10.0
152.01074	1.3
153.05457	1.6
159.04446	2.1
161.02315	2.7
161.05974	2.5
163.00343	1.8
163.03905	2.4
165.01865	1.0
165.05406	1.2
167.03380	1.3
169.01340	2.4
173.05957	1.4
173.87341	1.0
175.03906	2.4
176.01012	1.3
177.01849	100.0
178.02182	5.7
181.04811	1.2
185.05940	1.5
187.03940	5.6
189.01840	20.0
190.02657	6.0
191.03381	4.1
191.05447	1.9
193.05063	1.0
201.01921	7.8
201.05508	1.2
203.03421	2.7
205.04945	1.1
213.05525	1.3
216.00520	2.6
217.01389	14.6
218.02037	1.7
219.02846	6.5
227.07043	2.1
229.05013	7.4
230.75453	1.1
231.03027	4.8
239.03380	0.9
241.05008	12.4
242.05206	1.1
243.03047	1.8
243.06430	2.2
251.16862	0.9
253.05016	3.3
255.02898	2.3
255.06483	1.7
256.03754	1.2
256.07309	1.3
266.05609	1.2
271.02545	4.8
271.06110	38.9
272.03107	1.2
272.06366	2.2
279.06625	2.2
281.04370	1.9
283.06125	30.4
284.06448	3.1
289.07071	3.4
295.06165	1.6
300.02637	5.2
301.00046	1.3
301.03418	2.5
305.04657	2.5
311.05579	3.9
312.06210	1.5
315.01389	2.1
323.05594	72.8
324.05933	11.3
341.06638	34.1
342.07001	2.9
374.34320	1.1
375.08575	3.2
417.09784	66.3
418.10092	8.4
419.83606	1.1
435.10788	34.5
436.11295	5.4
475.12506	3.0
489.38626	1.2
503.11816	2.0
597.14508	6.6
598.15747	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	597.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04449	0.5
57.03326	0.6
59.01246	4.8
61.98708	3.2
69.22060	6.0
71.01243	2.8
72.99165	0.6
73.02808	0.9
73.68024	0.5
74.16280	0.7
75.00743	1.2
83.01260	0.6
85.02803	1.0
86.72210	0.6
87.00764	0.8
89.02331	1.7
93.03326	8.7
95.01260	1.0
95.04903	1.7
95.95306	0.6
101.02310	1.8
107.01248	1.0
108.02082	1.0
109.02829	14.8
110.03189	0.6
117.03356	2.6
118.94173	0.6
119.04941	3.1
121.02834	2.3
122.03642	1.3
123.00868	0.9
123.04414	14.1
125.02325	4.5
133.02834	4.0
133.06509	0.6
135.00764	0.6
135.02899	0.9
135.04410	2.0
137.02341	4.0
139.99280	1.3
145.02850	15.9
147.04446	3.5
149.02382	3.0
149.06023	0.7
150.03134	4.0
151.00264	2.1
151.03918	12.7
152.04150	0.7
159.04416	2.4
160.01512	0.7
161.02338	2.7
161.05994	2.8
163.00262	0.8
163.03940	3.7
165.01808	1.1
167.03377	0.6
169.01305	1.7
173.02325	1.0
173.05939	0.6
175.03926	1.6
176.01086	3.6
177.01854	38.6
178.02246	1.7
179.03523	0.8
185.06042	1.3
187.03938	3.6
188.04613	1.0
189.01862	46.5
190.02594	9.4
191.03444	12.1
191.05420	1.3
196.73817	0.6
197.04430	0.7
201.01875	2.0
201.05475	1.0
203.03418	4.7
203.07121	0.9
205.05049	1.3
209.06042	0.7
211.04074	0.7
211.07671	0.9
213.05426	1.2
216.00577	7.5
217.01376	33.9
218.02014	3.0
219.02942	13.4
220.03357	1.0
227.03561	0.7
227.07208	1.3
229.01523	1.1
229.05019	12.2
229.08618	0.7
230.05368	0.9
231.02939	10.8
232.03598	1.3
233.04504	1.1
239.07195	1.2
241.05038	5.2
242.05447	0.6
243.06500	1.4
245.08203	1.1
253.05031	1.4
255.06631	1.8
261.05499	0.7
267.06784	1.7
268.03793	1.2
269.04538	2.1
269.07898	0.6
271.06122	40.6
272.06467	3.4
275.01764	0.7
279.06540	0.9
281.04462	3.0
283.06122	34.3
284.06543	2.7
285.03998	0.6
285.07404	0.6
289.07172	5.7
290.07791	0.7
291.97870	0.5
295.06253	2.7
297.07645	2.4
298.98492	0.7
299.99094	0.7
300.99966	1.9
311.05624	7.2
312.06012	1.5
323.05591	16.6
324.05893	1.8
341.06641	87.1
342.06992	7.3
376.05771	1.0
417.09781	17.0
417.57730	0.6
418.10196	1.9
435.10818	100.0
436.11145	14.6
479.09763	0.9
479.22556	0.8
480.24234	0.9
503.12024	2.6
509.11249	3.6
597.15735	2.5
597.24127	1.2
597.32416	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	597.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	7.1
61.98689	2.0
65.00206	1.7
69.17935	14.2
71.01241	4.9
75.00755	2.2
83.01258	1.5
87.00749	2.1
89.02306	1.8
89.03852	1.8
93.03333	8.7
96.95902	3.3
98.62717	1.3
99.57504	1.6
100.13609	1.3
101.02331	2.2
108.02031	1.8
109.02833	11.5
113.02302	2.0
114.87780	1.4
117.03331	2.8
119.04874	3.8
121.02793	2.0
122.98643	1.5
123.04395	10.8
125.02304	3.2
133.02832	6.6
134.03577	2.2
135.02850	1.6
135.04431	3.0
137.02318	2.1
145.02852	17.7
149.02284	1.8
150.03111	6.9
151.00281	4.5
151.03912	20.2
159.04428	3.0
161.02325	2.6
161.05977	7.0
163.03893	4.9
165.01819	2.0
169.06396	1.5
173.02307	2.8
175.03902	1.7
177.01851	45.6
178.02393	2.3
179.07104	2.6
185.06013	2.6
187.03975	3.3
189.01868	25.4
190.02505	4.6
191.03368	3.8
195.06496	1.7
201.01816	4.4
201.05446	1.6
203.03459	2.2
203.06999	1.2
209.08730	1.3
211.07626	1.8
216.00554	1.9
217.01334	13.2
219.02922	6.9
227.06909	2.3
229.05002	27.5
229.07025	2.8
231.02896	3.1
239.06996	2.7
241.05031	8.6
243.06424	3.3
253.05016	4.9
254.04987	1.7
255.06557	4.8
267.06589	2.6
268.03812	4.6
269.04434	1.8
271.06097	100.0
272.06485	7.8
281.04486	3.9
283.06104	76.6
284.06372	5.6
295.06058	4.8
311.05594	4.4
312.06146	1.8
313.09143	2.5
323.01968	2.8
323.05579	34.8
323.09338	2.5
324.05780	3.4
341.06613	33.3
342.07159	1.8
417.09766	44.2
418.09991	5.3
435.10785	36.3
436.11017	4.4
475.12418	2.4
503.11911	5.7
597.15997	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	597.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.4
59.01252	11.3
61.98701	87.7
62.98401	0.9
65.00198	1.4
69.26440	7.8
71.01252	5.8
72.99177	1.2
73.02821	5.1
75.00763	1.1
83.01236	2.0
83.04890	0.8
85.02814	4.2
87.00742	1.2
88.98666	1.7
89.02315	3.9
93.03348	7.2
95.01260	1.2
95.04896	2.3
96.95889	3.7
97.02823	1.3
98.19716	1.5
99.00752	1.0
99.04380	1.0
101.02314	5.1
107.01241	1.9
107.04906	0.9
108.02042	3.4
109.02148	1.4
109.02839	21.3
111.00744	1.3
113.02339	1.8
116.92804	0.8
117.03334	1.7
119.04913	2.7
120.99547	1.0
121.02839	2.2
122.03644	1.1
123.00750	1.6
123.04404	23.0
124.01564	2.2
124.04693	0.8
125.02361	5.9
131.03314	0.8
131.04918	1.7
133.02859	10.9
134.03230	3.3
135.02861	2.7
135.04424	9.6
136.04759	2.2
137.02335	2.9
138.03085	0.8
139.03947	1.2
143.03366	0.9
145.02829	3.0
147.04395	2.0
149.02306	3.8
150.03157	1.5
151.00270	5.3
151.03911	16.2
152.00752	2.6
153.01799	1.3
161.02351	46.5
162.02679	15.1
163.03883	2.9
164.04628	2.5
165.01837	1.6
165.05498	1.3
166.00732	1.1
167.01222	0.8
167.03357	2.6
168.00504	1.1
168.04239	0.8
169.01337	3.7
169.04967	1.4
171.04376	1.0
173.02345	1.1
173.04411	1.6
174.03125	5.6
175.00209	2.1
175.03915	26.4
176.04353	1.6
177.01822	4.5
179.03362	3.3
180.03937	0.8
181.08601	1.8
183.02951	1.9
183.06506	0.9
183.10194	1.8
187.03922	2.0
189.01849	6.6
190.02670	5.9
191.03384	2.7
191.05179	0.7
193.04976	6.9
203.03394	1.1
205.01428	1.0
205.05026	4.7
206.05730	2.5
208.03616	1.0
209.04288	1.0
213.05417	0.9
214.02632	1.0
215.03438	6.3
216.04065	1.2
217.01375	5.1
219.02870	1.3
221.08171	2.7
221.15617	0.9
223.06039	6.7
229.04910	1.3
231.03006	1.3
234.01639	1.0
242.02151	3.0
243.02934	4.4
255.02953	1.7
265.04858	0.8
265.07205	7.7
269.00912	2.8
269.07861	0.8
271.02313	1.1
271.04883	1.1
274.01163	3.7
281.04501	4.2
283.05865	1.4
283.15302	1.4
284.03162	2.9
287.05652	2.1
288.06079	1.3
289.06256	1.7
291.06659	1.8
293.04617	5.0
295.06042	3.4
295.08694	1.7
299.05576	1.7
300.99966	1.1
301.03265	1.2
307.06061	9.8
308.03610	0.8
308.06714	5.4
309.07455	1.6
317.04630	0.9
321.04111	1.7
322.04758	1.8
323.05496	8.3
325.09314	4.2
333.07608	6.4
335.05585	3.0
336.06387	1.1
341.06601	13.3
342.06894	2.5
349.06940	2.2
363.05081	13.0
364.05307	1.3
366.07278	1.1
377.06619	1.4
378.07327	1.0
385.11356	5.8
393.06094	10.9
394.06534	1.8
435.10648	1.6
445.09296	3.2
445.20395	1.7
451.10263	1.0
487.10312	100.0
488.10678	16.6
503.09723	9.3
504.10132	2.0
525.13824	3.3
533.23871	7.9
534.24237	32.6
535.24908	4.8
597.13885	25.9
597.24811	5.1
597.28552	4.8
598.15112	5.4
598.23492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94012	0.4
55.01786	0.4
57.03323	0.4
59.01249	6.3
61.40253	0.5
61.68587	0.4
61.98700	67.9
63.99113	0.6
65.00195	0.6
66.72317	0.4
69.03326	0.5
69.21509	5.6
71.01252	3.1
72.99179	0.7
73.02818	1.5
74.54501	0.5
83.01271	0.8
85.02811	0.9
87.00737	0.8
88.98677	0.7
89.02327	1.0
91.01775	0.7
93.03333	7.2
94.03664	0.5
95.01244	0.6
95.04892	2.3
96.95930	0.8
97.02805	0.6
100.35963	0.5
101.02339	1.8
103.83797	0.6
108.02076	0.9
109.02833	16.1
111.04443	0.7
113.02346	0.9
116.92741	1.6
117.92784	1.1
118.92538	1.0
119.01281	2.3
119.04900	1.9
120.01595	0.7
121.02835	2.1
122.03610	1.1
123.04407	19.6
124.01509	0.6
124.04750	0.6
125.02329	2.0
133.02913	0.7
134.03615	1.8
135.04385	1.2
137.02342	1.8
145.02856	1.1
147.04396	1.0
149.02344	3.2
150.02895	1.9
151.03908	14.3
153.01825	1.5
153.05493	0.9
153.09103	1.2
154.09390	0.5
159.04431	0.5
160.01590	3.9
161.02338	3.9
162.02631	0.7
163.03925	1.4
164.04695	2.8
165.01822	0.9
165.05197	1.6
167.03395	1.7
168.00560	0.7
169.01294	0.6
170.02058	0.5
175.00288	3.0
175.03926	4.6
176.00661	2.8
177.00542	1.0
177.02049	2.9
179.03400	0.6
179.07060	0.9
183.06465	0.5
187.03899	0.8
189.01828	4.4
190.02632	7.6
191.03023	7.4
191.07077	0.8
192.03107	4.1
193.03429	1.5
193.05014	1.8
195.02983	0.7
195.10121	0.5
199.03891	0.6
201.01839	0.6
202.02654	1.2
203.03384	0.8
205.05028	7.1
206.05321	6.9
207.02667	0.5
207.05501	5.0
208.03902	0.7
208.05798	2.2
209.04414	1.7
209.06198	0.6
213.05457	0.6
214.02716	0.5
215.03459	4.6
216.00543	1.0
216.03848	0.5
217.01320	4.0
218.01967	0.7
219.02859	1.2
221.19113	0.8
223.06178	2.4
224.06381	2.0
225.06583	1.8
225.14874	0.9
226.06711	0.7
227.05531	1.6
227.12802	0.8
229.01382	1.6
230.01729	0.5
231.02965	1.6
239.03362	0.6
241.05049	1.1
242.02161	2.9
243.02969	3.1
246.01703	0.8
255.02989	1.0
269.00922	2.0
270.98853	0.8
271.02460	1.8
274.01160	2.1
277.04959	0.6
279.06613	0.8
281.04480	2.6
283.06192	1.2
284.03253	1.1
287.14896	1.1
291.06461	1.0
293.04526	3.4
294.05347	0.8
295.06067	2.6
296.06665	0.5
298.98227	1.1
299.99091	0.8
300.02673	1.5
300.99780	2.2
301.03146	0.7
301.20322	1.4
307.06085	7.0
308.06839	4.6
309.04306	0.6
317.58878	0.5
319.06134	0.8
321.03912	1.5
323.05624	6.4
333.07693	5.6
334.08142	0.7
335.05661	2.6
336.06186	1.3
337.07129	1.6
341.06604	11.7
342.06970	0.9
349.07050	1.7
363.05066	8.5
364.05304	1.4
367.08057	0.7
368.05273	0.7
377.06555	0.8
378.07260	1.0
389.18433	0.7
393.06134	9.6
394.06580	1.5
433.07828	0.8
435.10724	1.2
445.09052	2.9
446.09442	0.7
473.07785	0.8
487.10312	100.0
488.10669	15.6
494.12204	0.6
503.09894	3.9
561.23346	6.2
562.23492	0.7
596.26904	11.9
597.13812	22.9
597.27063	17.1
598.14404	4.6
598.26563	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	597.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73848	0.6
59.01247	4.4
61.98382	1.3
61.98703	24.3
63.02262	1.1
64.02943	0.5
65.00191	1.6
66.91267	0.6
71.01283	1.4
73.02816	1.0
83.01269	1.1
85.02817	0.7
87.00733	0.8
93.03352	1.0
95.01251	0.7
96.95872	1.4
101.02321	1.2
107.01272	2.1
108.02039	2.3
109.02837	5.0
119.04916	1.5
121.02853	2.3
123.00813	0.8
123.04400	1.3
124.01541	0.6
125.02330	4.7
133.02867	1.2
135.00722	0.8
135.04414	1.0
137.02313	1.8
145.02782	0.8
147.00742	0.8
148.01569	1.1
151.00279	6.7
151.03938	1.4
152.01057	0.8
153.01845	1.1
161.02359	2.5
163.00349	3.0
163.03877	1.3
164.01048	0.7
165.01799	0.8
169.01357	5.0
174.03111	1.1
175.03934	1.8
177.01891	1.4
178.99785	3.9
183.10115	0.7
187.03830	0.7
188.04704	1.4
189.01921	1.9
190.02556	1.4
191.03334	0.8
195.06425	0.7
198.03091	1.6
199.03905	2.4
201.01840	1.9
203.03419	0.6
205.05002	2.0
211.04012	0.8
214.02618	0.6
215.03488	1.6
216.04210	1.5
217.01379	1.1
219.03040	0.6
226.02635	9.1
227.03442	7.5
229.01407	4.3
229.04797	0.8
243.02962	25.8
244.03299	2.2
253.99661	1.1
254.02155	9.2
255.02959	15.7
256.03476	1.1
271.02478	99.9
272.02960	9.9
283.02530	0.9
284.03387	0.9
299.01996	2.2
300.02744	76.7
301.00046	0.8
301.03427	20.5
302.03845	1.3
305.16397	0.7
323.05283	0.7
341.06702	2.0
347.09460	0.7
357.06149	0.6
393.06311	1.8
394.60379	0.6
435.10861	1.4
445.07748	0.7
487.10309	2.2
488.11487	0.8
503.09869	3.4
553.23010	0.8
596.27460	1.6
597.12549	100.0
598.12805	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	597.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.4
59.01252	11.3
61.98701	87.7
62.98401	0.9
65.00198	1.4
69.26440	7.8
71.01252	5.8
72.99177	1.2
73.02821	5.1
75.00763	1.1
83.01236	2.0
83.04890	0.8
85.02814	4.2
87.00742	1.2
88.98666	1.7
89.02315	3.9
93.03348	7.2
95.01260	1.2
95.04896	2.3
96.95889	3.7
97.02823	1.3
98.19716	1.5
99.00752	1.0
99.04380	1.0
101.02314	5.1
107.01241	1.9
107.04906	0.9
108.02042	3.4
109.02148	1.4
109.02839	21.3
111.00744	1.3
113.02339	1.8
116.92804	0.8
117.03334	1.7
119.04913	2.7
120.99547	1.0
121.02839	2.2
122.03644	1.1
123.00750	1.6
123.04404	23.0
124.01564	2.2
124.04693	0.8
125.02361	5.9
131.03314	0.8
131.04918	1.7
133.02859	10.9
134.03230	3.3
135.02861	2.7
135.04424	9.6
136.04759	2.2
137.02335	2.9
138.03085	0.8
139.03947	1.2
143.03366	0.9
145.02829	3.0
147.04395	2.0
149.02306	3.8
150.03157	1.5
151.00270	5.3
151.03911	16.2
152.00752	2.6
153.01799	1.3
161.02351	46.5
162.02679	15.1
163.03883	2.9
164.04628	2.5
165.01837	1.6
165.05498	1.3
166.00732	1.1
167.01222	0.8
167.03357	2.6
168.00504	1.1
168.04239	0.8
169.01337	3.7
169.04967	1.4
171.04376	1.0
173.02345	1.1
173.04411	1.6
174.03125	5.6
175.00209	2.1
175.03915	26.4
176.04353	1.6
177.01822	4.5
179.03362	3.3
180.03937	0.8
181.08601	1.8
183.02951	1.9
183.06506	0.9
183.10194	1.8
187.03922	2.0
189.01849	6.6
190.02670	5.9
191.03384	2.7
191.05179	0.7
193.04976	6.9
203.03394	1.1
205.01428	1.0
205.05026	4.7
206.05730	2.5
208.03616	1.0
209.04288	1.0
213.05417	0.9
214.02632	1.0
215.03438	6.3
216.04065	1.2
217.01375	5.1
219.02870	1.3
221.08171	2.7
221.15617	0.9
223.06039	6.7
229.04910	1.3
231.03006	1.3
234.01639	1.0
242.02151	3.0
243.02934	4.4
255.02953	1.7
265.04858	0.8
265.07205	7.7
269.00912	2.8
269.07861	0.8
271.02313	1.1
271.04883	1.1
274.01163	3.7
281.04501	4.2
283.05865	1.4
283.15302	1.4
284.03162	2.9
287.05652	2.1
288.06079	1.3
289.06256	1.7
291.06659	1.8
293.04617	5.0
295.06042	3.4
295.08694	1.7
299.05576	1.7
300.99966	1.1
301.03265	1.2
307.06061	9.8
308.03610	0.8
308.06714	5.4
309.07455	1.6
317.04630	0.9
321.04111	1.7
322.04758	1.8
323.05496	8.3
325.09314	4.2
333.07608	6.4
335.05585	3.0
336.06387	1.1
341.06601	13.3
342.06894	2.5
349.06940	2.2
363.05081	13.0
364.05307	1.3
366.07278	1.1
377.06619	1.4
378.07327	1.0
385.11356	5.8
393.06094	10.9
394.06534	1.8
435.10648	1.6
445.09296	3.2
445.20395	1.7
451.10263	1.0
487.10312	100.0
488.10678	16.6
503.09723	9.3
504.10132	2.0
525.13824	3.3
533.23871	7.9
534.24237	32.6
535.24908	4.8
597.13885	25.9
597.24811	5.1
597.28552	4.8
598.15112	5.4
598.23492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.85006	0.5
59.01247	2.7
61.98688	2.3
71.98183	0.5
74.77168	0.5
75.00754	0.9
78.95770	72.5
83.04868	1.0
88.14680	0.5
96.96835	13.0
116.81832	0.5
125.09608	0.6
150.97906	1.0
152.99481	100.0
153.99802	2.1
171.00519	3.0
171.31058	0.6
209.11765	10.7
211.13339	1.1
219.86737	0.6
223.00063	10.4
227.12891	0.8
241.01131	27.1
242.01418	0.8
259.02191	2.3
279.23276	67.1
280.23651	6.4
293.21167	0.7
311.22220	3.0
315.04849	19.6
316.05115	0.9
333.05838	1.2
560.56421	0.6
595.28839	85.2
596.19781	1.2
596.29108	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	596.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01250	3.5
61.98702	92.2
65.00194	1.2
66.00522	0.3
67.05911	0.3
68.43459	0.3
69.20505	3.2
69.79501	0.3
71.01255	2.7
71.40102	0.3
73.02831	1.1
73.08604	0.3
75.00732	0.3
83.01250	1.0
85.02827	1.0
89.02340	0.6
93.03358	0.7
93.58888	0.3
99.00771	0.4
101.02335	1.1
105.03378	0.5
107.01254	1.8
108.01566	0.4
109.02844	1.4
113.02327	1.1
117.03327	1.6
119.04986	0.4
121.02843	0.6
123.04420	2.0
125.02329	1.3
132.02060	0.9
133.02852	24.8
134.03590	0.7
135.04413	12.4
136.04788	1.6
137.02345	0.5
145.02873	0.6
149.02304	0.6
151.00276	7.5
151.03922	1.0
152.00577	2.5
154.20522	0.3
161.02350	100.0
162.02693	5.7
163.03897	0.7
164.04700	0.5
169.01340	0.8
174.03064	0.4
175.00281	1.1
175.03918	2.4
176.00781	0.3
177.01840	0.4
179.03415	4.5
187.03961	0.6
189.01799	0.4
190.02596	2.0
191.03085	0.7
205.05006	1.6
206.05414	0.6
209.15395	0.5
217.01450	0.3
217.12067	0.4
221.04449	0.4
223.06178	0.6
265.07230	0.6
287.05576	4.0
288.05914	3.2
299.05539	0.3
307.05841	0.3
308.08701	0.5
341.06818	0.8
363.05392	0.6
372.85233	0.3
393.06049	0.7
474.29010	0.3
475.08575	0.3
487.10480	4.9
533.23907	76.1
534.16052	0.7
534.24237	12.7
596.16077	1.5
596.25818	1.8
597.13617	1.1
597.28174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15580	0.9
55.01730	1.0
57.03326	2.0
57.81348	0.9
59.01248	32.7
61.98700	100.0
62.26187	0.8
65.00181	1.6
67.01753	0.9
68.99699	1.0
69.03324	1.5
69.21045	2.3
69.21453	6.4
71.01254	17.0
71.04871	0.9
72.99188	5.3
73.02821	4.8
74.02343	1.4
75.00738	6.6
78.95786	1.0
81.03329	2.1
81.62971	0.8
83.01253	5.0
83.04885	0.9
85.02820	8.4
87.00748	8.4
88.98669	1.7
89.02328	4.9
91.01756	2.2
93.03333	3.9
95.01254	2.4
96.95892	4.4
97.02876	1.2
97.06477	0.9
99.00757	2.0
101.02314	10.7
105.03328	2.7
106.84329	0.9
107.01269	3.5
107.04887	1.1
108.02037	3.1
109.02840	5.0
109.06430	0.9
111.00751	2.6
111.04403	0.8
113.02336	6.8
113.06005	1.2
116.92732	1.1
117.03329	1.9
119.01266	2.6
119.03390	1.9
119.04897	8.0
120.99538	1.6
121.02842	7.7
121.06441	1.1
122.03615	1.0
123.00751	5.1
123.04406	9.4
124.01572	5.2
125.02328	12.8
125.09576	1.4
131.03383	1.7
132.02003	1.1
133.02856	7.1
134.03621	2.3
135.02916	1.3
135.04427	8.4
136.01547	1.5
136.99040	1.1
137.02354	6.5
137.05960	1.0
137.09598	0.9
138.03081	2.5
138.06717	2.3
139.00244	1.8
139.03889	6.3
143.03322	1.0
143.04901	3.3
145.02876	5.0
147.00752	7.5
147.04422	2.1
148.01544	4.6
149.02350	10.1
149.05997	1.6
150.03000	1.1
151.00262	10.3
151.03897	6.2
152.00954	1.8
152.04335	0.8
153.01781	1.2
153.05507	4.5
153.09138	4.9
153.51579	0.8
155.03436	0.9
160.01625	1.9
161.02348	24.6
161.04349	4.0
161.05774	0.9
162.02759	2.3
163.00221	1.2
163.03914	12.8
163.07553	1.0
164.01073	8.1
164.04662	7.0
165.01805	6.3
165.05450	3.9
166.02629	8.4
166.06174	1.8
166.99692	1.5
167.03406	5.4
168.00525	1.7
169.01352	8.1
173.04454	3.2
174.03137	1.3
175.00357	6.9
175.03935	7.8
176.00859	1.8
177.01857	2.8
177.05548	1.6
179.03409	13.7
179.05052	1.2
179.07036	0.8
180.04167	4.9
181.04971	17.6
182.05330	1.6
183.02873	3.5
183.06473	1.4
185.06020	1.7
189.01851	1.6
190.02634	8.1
190.99791	1.1
191.03241	2.6
191.05519	2.2
192.00587	9.3
193.01248	3.3
193.05051	1.9
195.06619	4.2
197.04472	3.2
197.06097	1.5
201.11418	0.9
205.05003	6.9
206.05298	1.1
207.02904	31.8
207.06516	1.8
207.13835	2.0
208.03435	2.6
209.04523	2.6
209.11758	1.9
215.03307	1.3
221.04460	1.3
223.06042	8.3
225.04062	6.0
225.07652	16.5
225.14853	7.5
227.07112	3.0
227.12831	5.3
235.06017	1.9
237.05867	1.0
237.09824	5.8
241.07040	25.5
265.07111	1.8
269.13934	2.5
271.06183	5.6
275.01874	2.9
280.03699	7.1
281.04440	11.9
282.04861	1.7
287.14957	7.3
300.02524	1.2
300.99811	3.5
301.03101	0.9
301.20154	4.7
313.05588	2.7
323.07788	3.9
329.23407	2.1
361.02927	0.9
375.27509	10.8
389.18283	1.4
391.02850	0.9
391.27887	0.9
431.18771	1.0
433.11572	0.9
449.20224	2.7
455.19366	1.4
577.23389	1.2
595.12909	12.6
595.24811	26.6
596.14258	2.5
596.24750	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	595.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78997	0.7
58.02018	0.8
59.01258	4.2
59.67143	0.7
69.19454	8.6
71.01247	4.0
72.99171	2.5
75.00741	33.2
78.18437	0.8
82.56846	0.8
84.03596	0.8
85.02807	1.0
87.00729	1.4
89.02306	5.5
108.02035	2.6
109.02837	9.1
115.00234	1.8
117.01833	2.1
121.02828	1.4
133.02805	1.9
135.02861	100.0
135.04396	30.9
136.03194	3.1
136.04724	1.1
145.02885	0.9
147.04410	1.2
148.05150	1.1
149.05986	9.8
150.06352	0.9
161.01164	1.3
161.02332	6.5
161.05942	5.5
179.03419	16.6
180.03833	0.9
187.04028	1.1
202.35388	0.8
202.43770	0.8
241.04980	1.1
242.05820	7.7
243.06564	7.8
253.08249	0.8
255.06567	2.9
269.08203	1.3
271.09753	9.5
297.05927	8.9
300.99783	1.5
315.08774	1.6
341.06564	3.3
359.07556	5.9
371.07715	1.2
433.11127	1.2
477.10327	11.6
478.10510	1.3
595.12903	26.4
596.13470	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	594.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.2
55.47311	0.1
59.01246	1.9
61.98701	100.0
62.98394	0.2
63.99120	0.2
70.80658	0.4
71.01260	1.0
72.99181	0.3
73.02822	0.3
75.00753	0.2
78.95777	0.5
83.01254	0.2
85.02834	0.4
89.02303	0.3
99.00748	0.2
101.02345	0.7
112.29156	0.2
113.02346	0.3
123.04363	0.2
125.02325	0.6
129.16394	0.2
135.04454	0.9
137.02374	0.3
160.01566	0.3
161.02371	0.2
167.03517	0.2
172.33321	0.2
175.03964	0.6
176.04260	0.2
179.03412	1.0
181.12331	0.3
186.09552	0.2
190.02553	0.2
197.04478	0.3
205.05156	0.2
249.15314	0.2
269.25342	0.2
271.09680	0.3
286.18619	0.2
300.99936	0.3
313.23944	0.2
321.39566	0.2
365.00232	0.2
420.44730	0.2
433.26602	0.2
436.22620	0.2
534.29254	0.3
576.26453	0.2
594.28900	0.6
595.31586	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	594.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15858	0.3
57.03318	0.5
59.01252	3.4
59.07275	0.3
61.98703	100.0
69.03309	0.3
71.01254	2.4
72.25120	0.2
72.99188	0.5
73.02805	0.6
75.00739	0.4
76.07953	0.2
79.71826	0.2
83.01255	0.5
85.02835	0.9
87.00778	0.4
87.04411	0.4
88.98668	0.5
89.02312	1.1
93.03355	0.4
96.95918	0.5
97.02898	0.3
98.20295	1.4
99.00748	0.3
101.02340	1.0
108.02041	0.3
109.02835	16.0
110.03188	0.5
113.02342	1.3
114.19539	0.2
117.03380	0.4
119.03400	0.4
119.04902	0.6
121.02752	0.5
123.04463	0.5
124.01598	0.3
125.02353	1.6
126.02589	0.3
132.02109	0.5
133.01367	0.2
133.02870	0.5
134.03645	0.8
135.02913	0.6
135.04385	0.6
137.02379	0.6
138.66002	0.3
145.02847	0.3
149.02394	0.4
150.02969	0.4
151.03909	0.5
152.01100	0.3
153.01814	0.3
154.02069	0.3
160.01521	1.9
161.02315	1.3
161.04446	0.5
163.03917	0.6
166.06261	0.3
169.01329	0.4
173.02380	0.4
174.03262	0.4
175.00317	0.3
175.03894	2.2
176.04474	0.5
177.01863	1.0
179.03362	0.7
179.05515	0.3
183.04469	4.3
184.04723	0.5
187.04002	0.6
190.02600	1.1
191.03319	0.4
191.05550	0.4
193.04979	1.0
199.03970	1.6
200.04742	6.7
201.05276	0.4
205.04985	1.1
209.02502	0.3
214.18706	0.3
223.06041	0.4
227.03453	6.4
228.03720	0.6
259.06094	23.4
260.06406	1.7
269.13867	0.3
295.06088	1.8
300.89236	0.3
349.18686	0.4
369.09769	44.3
370.10065	4.2
401.24478	0.7
426.09494	0.3
479.23090	1.0
531.15350	0.4
533.28351	0.3
593.22540	0.4
594.14771	0.4
594.22321	1.5
595.27667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50998	0.3
59.01254	3.5
60.44500	0.3
61.98700	100.0
71.01250	2.1
72.99183	0.3
73.02829	0.7
74.14619	0.3
75.00739	0.4
83.01275	0.5
85.02813	0.5
87.00758	0.3
88.98679	0.5
89.02329	1.5
93.03333	0.5
96.95888	0.5
98.19824	0.6
101.02317	1.8
102.02721	0.3
108.02069	0.6
109.02832	17.9
110.03186	0.8
113.02336	0.7
119.03442	0.5
119.04933	0.3
121.02882	0.7
125.02351	1.4
132.02095	1.0
133.02847	0.9
134.03641	0.9
135.04359	0.6
137.02332	0.7
149.02354	0.6
149.06165	0.4
160.01569	2.3
161.02269	1.4
161.04498	0.8
163.03838	0.6
165.01848	0.4
166.06317	0.5
169.01343	0.5
171.04451	0.4
174.03056	0.4
175.03908	2.7
176.04300	1.0
177.01878	1.1
178.74527	0.3
179.03317	0.6
183.04416	5.0
184.04706	0.3
190.02647	0.6
191.05664	0.4
193.05086	0.6
199.03987	1.2
200.04721	7.1
200.06546	0.4
201.05170	0.4
201.11288	0.6
202.21416	0.3
205.05037	0.8
209.02609	0.6
209.04373	0.4
216.41307	0.3
223.05977	0.4
227.03445	6.3
228.03889	0.7
258.05396	0.5
259.06091	25.7
260.06577	1.3
289.07346	0.6
295.05948	2.3
300.99936	0.7
349.18851	1.1
369.09766	40.6
370.10129	4.8
400.24475	0.7
401.24527	0.7
480.52182	0.4
531.14758	0.4
534.29010	0.4
543.52911	0.4
593.22278	0.5
594.22949	1.7
595.27545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47284	0.9
54.41412	0.7
55.01744	2.9
57.03321	2.7
58.00468	1.0
59.01250	46.6
61.21845	0.6
61.98698	4.7
71.01254	28.3
71.51508	1.1
72.99168	1.2
73.02812	11.3
74.82580	0.6
75.00743	1.7
78.95760	1.4
81.03307	0.7
81.18056	0.7
83.01265	6.7
85.02347	1.2
85.02824	13.4
85.99966	0.9
87.00748	2.0
89.02317	9.2
95.01238	2.6
97.02852	1.4
99.00771	4.6
100.53534	0.7
101.02322	27.8
109.02850	1.1
111.00745	3.1
113.02331	12.5
119.03413	1.7
121.02891	0.9
125.02374	3.5
129.01819	0.6
131.03394	4.7
133.02809	1.2
134.89597	0.7
135.04417	1.8
137.05992	1.4
141.51999	0.7
143.03391	1.3
149.04434	0.8
154.72725	0.7
159.02919	1.6
160.44977	0.7
161.02316	2.5
161.04466	8.4
165.01830	2.0
175.00241	1.1
175.03894	1.7
179.03419	0.8
179.05504	1.0
181.05074	3.8
190.02641	3.3
195.03049	0.8
205.04948	2.6
219.06610	2.4
223.06049	0.9
249.43530	0.8
253.18034	1.1
266.26129	0.8
271.02469	1.4
285.04083	0.8
293.08334	0.7
299.01984	2.3
300.02740	1.0
314.04230	1.5
315.05115	4.0
333.04062	0.7
343.10132	1.0
401.25409	100.0
402.25742	12.3
461.10718	1.0
533.29816	15.3
534.30084	4.1
593.15088	2.7
593.25024	3.7
594.15894	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71478	0.4
54.48878	0.4
59.01245	2.4
60.99168	1.5
61.98710	1.0
71.01260	0.6
71.51249	0.5
75.87479	0.4
78.95773	67.5
83.04887	0.4
88.98672	11.0
88.99184	0.9
89.02308	1.5
96.96839	12.1
121.02839	1.1
123.80718	0.5
129.50443	0.5
149.65164	0.6
150.97905	1.0
152.99484	100.0
153.99814	2.0
156.09990	0.5
171.00594	3.0
209.11743	0.8
223.00072	10.3
227.12733	0.7
241.01151	25.1
242.01682	0.6
244.96382	0.6
248.75735	0.5
259.02234	1.4
275.20233	0.9
277.21713	46.6
278.22025	5.7
315.04868	16.7
316.05133	0.9
333.06128	0.7
482.19714	0.5
593.27277	78.7
594.27551	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.1
60.99178	2.5
61.98684	0.8
62.96285	0.5
65.35722	0.4
65.79855	0.4
69.25670	2.0
69.26094	1.8
71.01245	0.6
73.75185	0.4
78.95773	70.8
87.00735	0.5
88.98676	19.6
89.02316	4.2
96.96838	12.2
98.20721	0.6
121.02859	0.4
125.02407	0.5
150.97971	0.8
152.99486	100.0
153.99831	1.3
171.00537	2.6
189.18796	0.4
209.11758	0.6
223.00073	9.8
223.02136	0.8
241.01141	24.9
242.01616	0.8
259.02213	1.7
275.20026	0.7
277.21710	45.9
278.22101	3.8
285.03815	0.5
311.58310	0.4
315.04840	16.2
316.05118	0.9
333.05869	1.2
339.25601	0.5
385.15915	0.4
489.12994	0.4
593.27289	73.8
594.27649	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	593.2633
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
50.79122	0.4
53.91409	0.4
57.03321	0.7
59.01250	5.9
61.98700	14.8
63.96101	0.9
69.03346	0.6
69.20618	1.0
69.21024	4.3
71.01252	7.4
72.99173	0.9
73.02818	1.3
75.00757	1.1
75.26193	0.4
78.95774	1.6
78.98468	4.8
79.95117	1.0
79.95606	36.4
80.96390	60.4
83.01253	0.5
85.02817	2.6
87.00742	2.4
88.98677	0.5
89.02327	0.8
91.03905	0.5
94.97960	13.9
95.01266	0.8
96.95898	2.2
97.02835	1.6
98.20547	1.1
99.00768	0.8
101.02315	3.3
106.97950	2.9
113.02320	0.8
122.97487	3.0
123.09465	0.5
125.02338	3.1
127.03889	1.2
134.97475	3.9
136.99013	1.5
148.99031	4.4
149.68468	0.5
152.98558	5.7
161.04466	1.2
164.98544	10.1
195.13869	3.4
206.99687	3.0
225.00697	14.2
241.00108	2.6
277.21677	2.2
293.21100	0.7
295.22775	13.7
298.28680	0.4
299.04453	3.0
315.03769	1.0
341.05478	0.8
343.28610	0.5
371.06641	2.5
385.07968	1.4
399.09650	1.8
413.11240	1.7
441.14429	1.0
455.15878	2.1
481.17575	0.8
495.18994	2.5
520.30450	9.4
523.18408	1.3
524.19354	0.7
575.56195	0.5
593.26300	100.0
594.26636	18.7
594.36127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.16509	0.3
57.03338	0.5
59.01251	3.6
61.98702	9.6
63.96105	0.9
69.03305	0.5
71.01257	6.0
72.99168	0.9
73.02838	2.2
75.00735	0.5
75.25716	0.3
75.94411	0.4
78.91768	0.4
78.95766	1.1
78.98458	4.8
79.95606	35.1
80.96389	54.5
81.03326	0.8
83.01225	0.7
83.04900	0.5
85.02808	2.5
86.39318	0.4
87.00743	2.5
88.98685	0.5
94.97963	13.8
95.01266	0.6
96.95888	1.3
97.02843	1.8
98.19767	0.9
99.00753	0.7
101.02316	2.8
106.97957	3.1
109.02911	0.4
113.02325	0.9
115.05412	0.9
122.97488	4.6
125.02319	3.8
127.03860	0.7
134.97502	3.8
136.99014	1.7
137.02283	0.4
148.99057	4.7
152.97290	0.4
152.98529	6.8
155.00201	0.4
159.04451	3.3
161.02293	0.7
161.04498	1.0
164.98544	9.4
175.03929	0.9
179.00125	0.7
182.99661	2.6
186.12192	0.5
189.01926	0.4
197.01111	0.5
205.04871	0.4
206.99649	3.3
209.11674	0.5
209.15378	1.6
211.94582	0.4
225.00685	16.7
226.00928	0.6
227.16461	1.4
241.00185	1.6
243.01611	2.2
251.16547	0.4
269.17572	0.5
293.21298	0.9
299.04419	4.0
300.99759	0.5
308.69803	0.4
315.03708	1.0
341.05530	0.4
347.17618	0.4
371.06320	1.6
381.52582	0.5
385.07959	0.7
399.09741	1.3
413.11243	1.6
434.91241	0.4
441.14130	1.1
455.15717	2.2
495.18991	1.5
523.18701	0.7
524.19293	0.7
593.26331	100.0
594.26648	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	593.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
55.12873	0.8
57.03297	1.9
58.00462	1.3
59.00957	1.9
59.01250	39.9
61.98703	88.8
65.00195	2.3
71.01250	18.8
72.99168	2.3
73.02832	5.9
73.28790	0.9
78.95779	3.6
81.03319	1.0
83.01257	3.4
85.02831	7.7
87.00767	2.3
89.02316	11.8
91.01775	1.0
93.03333	1.9
95.01257	2.0
96.95882	2.8
97.02812	1.5
99.00723	2.0
101.02315	13.8
107.01250	2.5
107.04879	1.6
107.90534	1.0
108.02069	1.7
109.02806	3.3
111.00757	1.0
111.57606	0.8
111.99561	0.9
113.02316	9.1
119.01262	1.4
119.03396	4.1
119.04876	2.3
121.02832	1.8
123.04398	1.8
125.02318	3.6
131.03357	2.4
131.04956	1.1
133.02771	1.3
134.03627	2.2
135.00745	2.2
135.04399	5.8
136.99106	0.9
137.02316	3.6
137.05969	1.0
139.00327	0.9
143.03322	1.0
145.02759	1.4
147.00766	2.7
147.04417	8.9
148.01572	1.6
149.02330	8.4
149.04399	1.7
149.05977	1.5
151.00276	8.9
151.03854	1.4
152.01059	2.3
159.02905	1.0
159.04280	1.0
160.01515	2.0
161.02328	6.9
161.04420	3.9
161.05688	1.1
163.00304	6.1
163.03856	2.7
164.04691	8.1
165.01778	2.0
165.05333	1.2
165.12785	1.2
169.01305	2.5
169.04973	1.1
173.02347	1.1
174.03102	2.0
175.00310	5.2
175.03914	6.9
176.04361	1.0
176.40079	1.1
177.01816	2.5
178.02640	1.4
178.99779	4.8
179.03406	3.7
179.05597	1.6
179.07050	3.2
179.10686	3.1
181.04959	2.5
188.04745	1.2
189.01930	1.4
190.02634	19.3
190.99760	3.4
191.03354	4.1
191.05339	1.3
193.04929	2.9
198.03056	1.6
199.03856	1.5
201.02031	1.2
203.03413	1.1
205.04997	18.4
206.02153	5.3
206.05704	4.8
207.02844	2.7
208.03680	2.4
209.11742	2.4
221.04579	10.7
221.08110	6.6
223.06082	15.5
224.06401	1.2
226.02672	8.9
227.03357	5.8
237.07704	2.5
237.09782	1.4
239.05562	3.6
243.02969	20.4
244.03378	2.8
247.06087	1.4
250.04828	1.7
253.09164	2.5
253.18051	3.3
254.02127	7.3
255.02930	15.7
256.03430	1.6
265.07217	21.5
269.17413	1.1
271.02472	100.0
272.02933	10.3
275.01944	1.9
295.08246	11.3
299.02066	2.3
299.18643	2.8
300.02737	78.6
301.00055	1.6
301.03418	29.0
302.03674	1.6
325.09290	17.2
326.09521	1.2
327.15598	1.2
343.04822	1.3
343.13629	1.1
349.19464	1.0
363.50061	1.0
373.26025	1.1
377.10291	1.2
385.11298	4.2
385.18323	1.6
401.20523	1.7
401.25433	21.0
402.25662	2.1
428.61868	0.9
472.20358	1.6
473.20743	3.9
491.22119	1.2
503.13467	2.1
531.13702	1.0
533.29480	9.0
534.29877	1.2
575.24524	1.2
589.35510	1.1
593.12897	93.5
593.26147	18.1
594.13220	21.2
594.26392	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	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03320	1.8
59.01248	7.2
59.27476	0.4
61.98704	5.3
62.56905	0.4
63.45788	0.4
69.32213	0.9
69.32618	3.2
69.53795	0.4
71.01254	5.1
72.99192	0.4
73.02819	1.3
76.16511	0.4
83.01250	1.4
85.02806	2.6
87.00736	0.8
89.02341	2.2
91.01781	1.5
93.03343	1.2
95.04913	0.5
99.00776	0.7
101.02309	3.0
107.04941	0.6
109.02813	0.5
111.04410	0.6
113.02318	1.7
117.03310	0.5
119.01260	6.5
119.03397	0.7
119.04944	0.8
121.02814	2.9
125.02337	2.7
133.02814	0.8
134.03592	1.2
134.41714	0.3
135.04407	5.1
137.02351	1.5
138.06735	2.6
146.67155	0.4
147.00795	4.6
147.04402	1.4
148.01526	0.4
149.02342	20.1
150.02998	1.4
151.03882	0.6
152.01060	0.9
153.09131	6.2
158.72032	0.4
161.02333	3.4
161.04445	0.6
162.03111	0.6
163.03906	3.4
164.04701	18.5
165.01816	2.0
165.05051	1.1
166.02612	0.9
167.03371	0.4
175.00278	35.9
175.03630	0.8
176.00661	1.9
177.01808	0.5
177.05531	0.7
178.02638	0.4
179.03398	1.1
179.06996	2.6
181.04961	0.4
189.01831	1.1
190.02641	94.7
191.03099	5.5
192.04280	0.6
193.01480	0.5
194.02098	0.7
205.05003	85.7
206.05345	4.6
207.02818	0.6
207.06613	0.5
208.03664	1.2
209.04469	2.2
216.41406	0.4
223.06068	30.1
224.06392	1.6
225.14914	3.0
227.03618	0.4
237.09720	1.0
251.05655	0.8
265.07166	1.3
269.04468	0.9
271.02429	0.5
281.06686	0.7
287.05496	0.7
293.13840	0.8
311.07687	0.8
314.04199	0.5
327.21619	0.5
331.76978	0.4
373.25735	1.3
433.13776	0.4
449.11099	0.6
455.18933	1.0
485.81210	0.4
549.23322	0.5
563.21936	0.5
578.23779	1.4
593.25964	100.0
594.26245	17.1
594.40552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01249	11.0
61.98698	12.7
71.01250	9.4
71.08737	1.2
71.10760	0.5
72.99158	1.4
73.02818	3.1
75.00741	1.2
81.50662	0.6
83.01250	1.2
85.02831	3.8
87.00772	1.6
89.02322	3.3
91.01760	1.4
92.42113	0.6
93.03334	2.4
95.01260	0.6
95.04903	0.9
96.95896	1.7
99.00762	1.1
101.02303	3.4
107.04903	0.9
109.02818	1.4
110.27852	0.6
112.60887	0.6
113.02349	2.2
119.01270	5.0
119.04892	1.7
121.02840	4.2
123.00783	1.0
123.04446	1.2
125.02331	5.4
131.03413	0.7
133.02861	1.4
134.03633	2.2
135.02916	0.9
135.04419	4.2
135.37973	0.6
137.02347	1.2
137.09630	1.0
145.02835	1.3
147.00780	5.4
147.04407	1.9
149.02345	16.0
149.04405	1.6
150.02841	1.1
151.00259	1.3
151.03908	1.5
152.01030	2.2
153.05455	0.6
160.01572	1.3
161.02299	4.4
161.04413	0.7
161.08154	1.2
162.03059	0.8
163.03876	3.9
164.04697	14.7
165.01845	2.0
165.05344	0.6
167.03357	0.9
173.04482	0.9
175.00276	34.6
175.03899	2.6
176.00708	2.2
177.01984	1.3
178.02626	0.7
179.03441	1.7
179.07018	1.9
180.04210	1.7
181.04971	1.3
181.08595	1.5
189.01839	1.2
190.02632	83.9
191.03084	5.8
191.05415	0.7
192.00543	0.7
193.01379	0.6
195.13757	0.9
205.04993	80.7
206.05344	5.6
207.02914	1.8
207.06528	0.7
208.03691	1.4
209.04492	2.5
221.08159	0.9
223.06055	26.6
224.06369	1.9
225.03951	1.4
225.14844	1.7
251.05649	0.6
255.02983	1.6
265.07126	3.1
284.03326	0.9
285.04083	2.9
287.05624	0.7
299.99203	0.8
300.99948	1.0
367.10043	1.1
371.15048	1.4
533.29449	1.4
578.23468	1.8
593.25928	100.0
594.26288	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
58.52458	0.2
58.60835	0.3
59.01250	3.5
59.84161	0.3
61.98695	0.5
63.02278	0.7
65.00185	0.6
68.28411	0.3
69.71370	0.8
69.71803	0.8
72.99174	0.8
73.02826	0.6
75.00748	0.9
83.01250	0.8
85.02790	1.3
87.04390	0.3
89.02322	1.4
93.03328	1.3
95.01256	0.5
96.95895	0.6
97.06423	0.2
99.00753	0.5
101.02322	1.7
107.01262	1.8
109.02824	1.6
111.00749	0.5
113.02289	1.3
115.00284	0.3
117.03369	0.8
119.03363	0.5
119.04900	0.5
121.02802	0.5
123.04418	0.5
125.02315	1.7
131.03374	0.4
132.02057	0.6
134.03616	0.3
135.00795	1.3
135.02872	0.9
135.04445	0.7
137.02345	0.7
137.06038	0.5
139.67123	0.3
140.51360	0.2
141.06960	0.3
143.04948	1.2
145.02838	0.3
149.02362	0.4
149.05977	0.3
151.00270	2.9
151.03909	0.5
153.01817	0.7
157.06464	1.0
159.04401	1.2
161.02350	0.8
161.04503	1.2
163.00279	2.5
163.03868	0.3
164.00954	0.6
165.01836	0.8
165.05438	0.5
167.03456	0.3
167.04907	0.7
169.01350	1.2
169.06487	0.7
171.04430	1.1
173.02335	0.3
174.03227	0.3
175.03873	0.3
177.01886	0.7
178.99733	0.6
179.03497	0.6
179.05504	0.7
181.05031	1.2
181.08649	0.4
183.04428	0.8
185.06006	2.7
187.03929	3.1
189.01918	0.3
189.05482	0.8
190.02632	0.4
191.03375	0.3
191.05452	0.4
195.04449	0.7
197.05943	0.8
199.03940	0.9
200.04608	0.4
201.05496	0.8
201.11284	0.6
205.05017	0.6
211.03951	3.0
212.04616	0.4
213.05495	2.2
214.02690	0.3
223.04071	0.4
227.03447	31.4
228.03777	1.8
229.05022	10.6
230.05273	0.7
239.03470	2.4
240.04161	1.0
241.05038	1.9
243.02901	0.6
255.02962	54.6
256.03497	6.7
257.04544	7.3
258.04950	0.7
258.38345	0.3
267.02991	1.0
283.02478	0.9
284.03250	60.2
285.04007	91.4
286.04391	6.6
289.07159	0.3
297.03986	0.3
301.00037	0.3
327.05035	1.2
349.18481	0.9
367.10120	0.3
533.25934	1.8
593.15082	100.0
594.15405	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
59.01246	3.7
59.60051	0.3
61.98697	1.0
62.42252	0.3
71.01244	2.9
71.50066	0.5
72.29797	0.3
72.99176	3.1
75.00744	27.4
86.55587	0.3
87.00761	1.1
88.98684	0.8
89.02314	5.6
93.03327	0.6
95.01242	0.4
96.95889	1.4
101.02316	0.6
108.02034	0.3
109.02832	0.6
117.01838	1.7
117.03376	0.6
119.04906	6.9
121.02848	0.7
123.04435	0.7
125.02331	1.5
134.03615	8.0
135.02885	100.0
136.03209	2.4
137.02359	0.8
145.02864	0.7
146.03580	0.5
147.04408	0.8
148.05180	0.7
149.04568	0.4
149.06001	1.3
161.00900	0.3
161.02386	0.4
161.06079	0.4
163.03870	5.2
163.05013	0.5
167.03401	0.5
169.01381	0.3
177.01958	0.4
178.02599	0.9
193.04970	3.5
226.06277	1.1
241.08653	2.1
243.02998	0.3
251.07062	1.2
252.07967	0.9
253.08676	1.4
254.09508	1.3
255.10085	0.9
269.08350	0.4
271.02548	0.4
279.06458	0.4
280.07428	0.9
289.07095	0.5
295.09702	1.0
313.10794	2.4
314.28549	0.3
324.06256	0.4
343.08337	0.7
357.09769	18.1
358.09958	2.3
369.06039	0.7
423.07343	0.6
425.98270	0.4
437.49109	0.4
443.44302	0.3
457.11456	0.5
475.12421	3.5
476.12338	0.5
593.14832	6.8
594.15271	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03309	1.7
58.00452	0.8
59.01248	32.1
60.01575	0.8
60.99170	0.4
61.98699	46.9
63.02263	0.7
65.00201	1.1
71.01250	18.3
71.06937	1.0
72.99180	2.2
73.02817	4.8
78.95765	3.4
81.03288	0.7
83.01251	3.6
85.02811	6.0
87.00749	2.1
88.98666	0.6
89.02315	15.7
93.03338	1.2
95.01259	1.8
96.95877	0.9
96.96776	0.5
97.02813	0.6
99.00744	1.9
99.04357	0.5
101.02318	11.9
107.01266	2.4
107.04880	0.6
108.02076	1.0
109.02827	1.8
111.00745	0.7
113.02328	7.7
119.01270	0.6
119.03391	5.6
121.02826	2.3
123.00751	0.9
123.04393	0.8
124.01488	0.5
125.02355	3.3
131.03397	4.4
132.03712	0.6
133.02805	1.2
134.03603	0.9
135.00786	0.8
135.02901	0.6
135.04408	10.3
137.02345	1.2
139.03954	0.6
143.03412	2.1
145.02855	0.8
147.04460	3.0
148.01575	0.7
149.02380	2.8
149.04436	2.3
149.05945	1.0
151.00272	8.4
151.03903	0.7
152.00879	0.6
152.99432	1.4
153.01813	1.0
159.02931	0.5
159.04416	1.0
160.01576	1.8
161.02390	3.3
161.04449	3.9
161.05768	0.7
163.00275	3.3
163.03926	1.5
163.11162	0.5
164.01065	0.5
164.04648	1.7
165.01828	0.9
165.12706	1.0
167.03333	0.6
169.01318	2.1
172.05191	0.5
174.03123	1.1
175.00272	2.5
175.03889	3.9
177.01848	0.8
178.02380	0.6
178.99751	4.1
179.03459	2.7
179.05545	3.7
179.06995	0.7
179.10654	1.5
181.04980	1.9
183.04366	0.4
184.04607	0.4
187.03882	0.6
189.01860	1.3
189.05508	0.5
190.02618	7.5
190.99742	1.4
191.03363	1.1
191.05536	1.6
192.05898	0.7
193.01231	1.2
193.04991	1.1
198.03113	1.4
199.03894	1.7
200.04576	0.5
201.01920	0.8
203.03503	0.6
205.05008	6.2
206.02232	0.5
206.05716	1.5
207.02988	0.6
208.03630	0.5
209.11775	3.4
210.11996	1.0
211.04008	1.2
215.03452	0.8
216.04192	0.8
221.04474	1.4
221.08199	1.2
223.06102	4.0
226.02661	8.6
227.03453	6.6
229.04871	0.7
230.02162	0.5
237.09714	0.8
239.05608	0.7
243.02953	23.7
244.03352	2.3
245.04387	0.6
253.18054	1.5
254.02197	8.0
255.02946	16.3
255.10220	0.5
256.03381	2.1
265.07169	4.2
271.02454	100.0
272.02933	10.6
273.03949	1.1
283.02454	1.0
295.08075	2.2
299.01910	1.1
299.18521	0.8
300.02719	79.9
301.03397	29.6
302.03870	1.6
325.09265	3.0
337.09369	0.6
343.04633	1.3
357.22672	0.5
363.12668	0.5
372.06592	0.6
383.24435	0.8
385.11404	0.5
389.31253	0.4
400.23911	0.5
401.25403	30.8
402.25763	1.4
445.07761	1.0
462.09369	0.6
503.12839	0.7
532.28210	0.8
533.29669	7.4
592.27673	0.8
593.12976	97.8
593.25928	10.6
594.13257	16.9
594.27423	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	592.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25093	0.6
57.03321	1.0
59.01246	31.8
60.01585	0.7
61.98697	100.0
63.99126	2.2
66.21306	0.7
68.70512	0.8
69.03326	0.9
71.01253	2.3
71.50260	1.3
75.00750	1.1
78.95767	14.8
80.96410	0.9
83.04892	1.0
85.02842	0.8
87.00730	0.9
88.98683	2.2
89.02333	2.0
89.76896	0.7
96.95888	0.8
101.02344	1.0
107.89110	0.6
113.02324	0.9
118.49814	0.7
125.02358	1.1
137.02327	1.1
150.03200	0.8
152.99475	3.5
154.88480	0.6
159.04446	2.0
161.04475	0.8
163.07440	0.7
165.09079	0.9
167.10701	0.8
168.04216	3.0
175.03879	1.9
179.14340	1.4
191.05463	0.9
195.13824	13.3
196.14555	1.7
205.12263	1.6
205.15857	0.9
211.13303	0.8
223.13336	11.0
224.06926	1.9
228.13686	1.6
242.07983	5.9
251.16547	0.8
255.06656	0.8
256.13141	1.4
265.21561	1.0
275.20132	5.8
293.21204	95.7
294.21521	9.9
307.22934	1.2
447.21625	2.3
505.16745	1.0
518.28833	88.2
519.29169	13.2
557.16882	0.8
593.26910	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	593.1303
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
59.01255	5.4
61.98701	17.4
63.02253	1.0
65.00199	1.5
66.61143	0.3
66.91935	0.3
71.00605	0.4
71.00881	0.4
71.01263	2.7
72.99186	0.6
73.02815	0.7
77.60168	0.3
78.95755	0.9
82.64832	0.3
83.01259	0.9
83.04908	0.5
85.02829	1.0
87.00750	0.4
87.04402	0.8
89.02312	2.0
91.01767	0.3
93.03335	0.4
93.90914	0.3
96.95882	0.4
97.02845	0.3
98.60095	0.3
99.00712	0.3
101.02333	2.0
107.01276	3.2
108.02047	1.4
109.02844	1.5
111.00784	0.4
113.02332	0.8
119.01264	0.6
119.03414	0.6
120.99498	0.7
121.02838	1.0
124.01527	0.4
125.02354	2.0
131.03372	0.4
132.02065	0.5
135.00771	1.4
135.04388	1.6
137.02342	0.7
139.03964	0.4
143.03300	0.4
145.02861	0.4
147.04405	0.5
148.01570	1.6
149.02390	0.5
151.00269	9.8
152.99513	0.3
153.01859	0.8
159.04402	0.5
160.01532	0.7
161.02295	0.7
161.04459	0.8
163.00262	3.0
163.03911	0.7
164.01027	0.4
165.01762	0.5
169.01353	1.3
172.05067	0.4
173.02371	0.4
174.03102	0.8
175.00317	0.5
175.03944	2.0
176.04134	0.3
177.01797	0.5
178.99803	4.6
179.03346	0.6
181.04994	0.6
183.04495	0.5
187.03850	0.6
188.04646	0.4
189.01920	0.4
190.02605	1.9
191.03418	0.5
191.05527	0.4
193.01358	0.5
198.03145	1.2
199.03871	2.0
200.04181	0.3
201.01814	0.9
201.05389	0.4
203.03394	0.6
205.05029	1.5
209.11769	0.9
211.03920	1.4
211.13229	0.5
213.01822	0.4
215.03438	1.2
216.04198	0.6
226.02660	6.7
227.03448	5.6
228.04045	0.6
229.01245	0.5
243.02966	23.0
244.03409	2.1
245.04436	0.7
254.02202	7.3
255.02954	25.7
256.03427	2.2
265.07245	0.4
269.17551	0.7
271.02472	97.7
272.02887	10.4
273.04047	0.8
283.02377	0.7
285.03961	0.4
299.02048	2.0
300.02731	100.0
301.03391	30.5
302.03912	1.8
313.23785	0.6
343.04468	1.0
400.24191	1.1
401.25153	1.4
445.07779	0.7
480.04501	0.3
532.28857	0.4
557.25897	0.6
593.12988	82.8
594.13391	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	592.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	0.2
59.01247	4.8
60.01612	0.2
61.98700	100.0
71.01250	3.0
71.92696	0.2
72.01580	0.4
73.02817	0.8
78.95779	0.6
83.01262	0.3
83.46992	0.2
85.02834	0.9
85.54236	0.2
89.02310	1.9
90.57524	0.2
96.95922	0.3
99.00743	0.3
101.02294	2.4
101.02800	0.2
109.02887	0.2
113.02323	1.0
115.05412	0.2
119.03416	0.4
125.02306	0.5
131.03415	1.1
132.02075	0.3
132.03755	0.3
135.04422	0.7
137.02412	0.2
139.57707	0.2
147.04485	0.2
149.04428	1.3
149.06050	0.2
150.04785	0.4
152.01140	0.2
153.05524	0.2
159.04457	0.6
160.01567	0.7
160.04756	0.3
161.02267	0.4
161.04477	0.6
175.00352	0.3
175.03908	1.4
179.03362	0.3
181.12323	0.3
190.02658	0.7
191.05537	0.7
205.05051	0.4
209.11765	0.5
218.42223	0.2
225.11270	0.9
270.14343	0.3
293.08594	0.2
307.56793	0.2
313.23892	0.4
362.93649	0.2
371.24609	0.2
398.22443	0.3
399.23511	0.8
400.24225	1.1
401.25391	0.9
454.19534	0.2
531.27643	0.4
532.28033	1.3
533.29523	0.3
592.27942	0.6
592.47137	0.2
593.12982	0.4
593.26038	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28675	0.2
59.01241	0.2
61.98700	100.0
62.98405	0.3
69.79584	0.8
69.80000	0.3
78.95779	0.2
80.96419	0.2
94.44664	0.2
110.51846	0.2
158.73706	0.1
175.03967	0.2
209.11717	0.3
345.92102	0.2
593.26245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70787	0.2
56.49829	0.2
58.05820	0.2
59.01236	0.6
60.99176	0.6
61.27115	0.2
61.98700	100.0
62.98408	0.2
65.87947	0.2
71.01279	0.3
71.17041	0.2
71.50352	0.4
78.95757	0.2
80.96396	0.5
83.04884	0.2
87.00751	1.9
87.07098	0.2
88.00268	2.8
88.98676	3.5
89.02310	3.2
101.02383	0.3
115.05429	0.3
125.02323	0.4
135.86324	0.2
159.04449	0.9
171.10133	0.3
174.03128	1.7
175.04047	0.3
177.01965	0.3
197.35040	0.2
201.11055	0.2
209.11752	1.8
209.15472	0.5
227.16411	0.3
322.93738	0.2
342.90060	0.3
593.26031	0.5
593.35327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78265	0.1
59.01249	0.3
61.98701	100.0
62.98400	0.2
70.84899	0.3
70.85278	0.2
71.01248	0.2
73.90377	0.1
78.95815	0.2
80.39005	0.1
80.96378	0.3
89.02323	0.2
94.97997	0.1
108.45010	0.1
121.02860	0.2
131.04982	0.1
174.03157	0.3
175.03914	2.0
176.04279	1.2
198.20494	0.1
209.04601	0.2
227.16313	0.1
430.09100	0.2
593.26685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03308	0.6
58.00470	0.4
59.01248	9.6
60.01564	0.5
61.01683	0.3
61.98697	100.0
69.24991	2.2
71.01253	6.1
72.01599	0.6
72.99178	0.6
73.02811	1.9
75.00749	0.3
78.95776	0.4
83.01269	0.7
85.02815	2.0
87.00751	0.4
89.02316	3.9
91.02711	0.3
93.03350	0.3
97.02826	0.4
98.19813	0.5
99.00755	0.8
101.02311	4.6
102.02656	0.5
109.02864	0.3
113.02312	2.0
114.02663	0.3
119.03422	0.5
125.02327	0.9
131.03421	1.2
131.04897	0.3
132.03708	0.4
134.03659	0.5
135.04414	0.9
135.18556	0.3
137.02345	0.3
143.03423	0.7
149.04448	1.3
150.04814	0.3
151.04921	0.3
152.99457	0.2
159.02940	0.4
159.04391	0.3
160.01590	1.8
161.02254	0.7
161.04445	1.6
175.03899	2.9
176.04301	0.7
179.03363	0.3
179.10692	0.6
191.05568	0.8
193.05000	0.7
194.05206	0.2
197.04445	0.2
197.11819	0.2
205.04941	0.3
209.11787	0.4
217.01624	0.2
225.11298	1.0
280.58450	0.2
293.08749	0.3
313.23883	0.8
359.28085	0.3
399.23822	3.2
400.24149	7.4
401.24829	1.2
531.27930	0.7
532.28375	4.8
533.29291	0.8
563.54663	0.2
574.17780	0.3
592.28412	1.8
592.36487	0.3
593.14771	0.3
593.28571	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14676	1.0
57.03310	2.6
57.34950	1.0
59.01254	2.4
67.01735	1.4
69.03324	8.8
69.44335	9.4
71.01246	3.0
71.04892	3.1
80.96397	2.2
83.04914	1.5
93.03346	1.7
95.04911	1.3
96.95887	2.5
97.02837	1.2
97.06445	1.7
99.00756	1.6
123.08025	3.0
125.09615	4.2
130.81586	1.3
137.09576	1.5
145.02771	1.8
151.11209	6.3
153.12837	1.8
161.09642	14.3
162.10020	1.4
179.10683	30.4
195.13884	6.3
197.11752	90.7
198.12125	4.8
209.11723	2.5
211.13538	1.3
223.09740	3.1
223.13268	6.1
241.10776	12.5
275.20224	3.3
293.21207	34.9
294.21567	2.6
297.13416	7.9
315.14432	17.0
366.82111	1.3
422.66608	1.3
591.35419	100.0
592.36188	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	592.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13420	0.1
59.01246	0.6
61.98701	100.0
62.98407	0.1
70.02848	0.2
70.03239	0.2
70.21607	0.1
71.01265	0.3
72.33200	0.1
78.95770	0.2
89.02295	0.3
98.20572	0.1
101.02361	0.2
121.02856	1.7
121.03688	0.2
125.02360	0.2
165.01923	0.1
206.85483	0.1
209.04501	1.4
235.16917	0.5
236.17361	0.5
237.17720	0.3
293.21295	0.2
357.06375	0.1
518.29248	0.3
588.72668	0.1
593.13617	0.1
593.25696	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	591.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63012	0.7
51.59372	0.7
55.01753	2.7
57.03315	3.5
57.42828	0.7
58.00473	1.6
59.01249	64.0
61.98698	4.0
69.03327	1.0
71.01251	54.3
71.51653	1.2
72.99171	2.8
73.02399	1.1
73.02813	20.3
73.03205	1.5
75.00746	2.0
83.01261	8.7
85.02824	26.0
86.03214	0.8
87.00737	2.6
87.98853	0.7
89.02319	10.6
95.01263	4.7
95.04891	1.1
96.95885	2.8
97.02806	2.1
99.00754	9.2
101.02317	45.1
102.02637	1.1
102.84769	0.7
109.02834	1.3
113.02324	23.7
119.03397	1.6
121.02840	0.9
122.03685	0.8
123.04420	0.9
125.02333	3.8
128.62617	0.8
131.03392	32.1
133.02924	0.9
135.02888	2.0
135.04416	2.8
143.03465	3.6
149.02312	1.4
149.06042	0.9
159.02892	5.0
159.04222	1.1
161.02322	2.2
161.04462	30.4
161.05719	1.1
162.04796	1.4
163.03902	1.2
165.05495	0.9
167.03337	1.1
169.01352	1.0
175.03893	1.5
177.01868	1.0
179.03426	2.0
181.08694	1.2
190.02638	2.5
191.03223	0.7
191.05579	1.0
201.11150	0.8
205.05045	1.6
223.05956	1.5
260.27536	0.9
267.15860	0.8
269.08221	0.9
299.99063	1.0
341.10983	1.2
353.08755	1.4
399.23853	100.0
400.24213	11.7
443.22809	2.7
494.65677	0.8
501.59647	0.9
531.28137	29.6
532.28278	4.6
555.25391	1.1
556.25238	0.9
591.15131	1.1
591.24121	2.3
593.24188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03327	5.8
58.00458	1.9
59.01249	60.8
60.01574	1.4
61.98383	1.4
61.98700	22.7
64.08053	0.7
70.17182	1.2
70.17480	3.7
71.01253	28.3
71.04882	1.1
72.99176	3.2
73.02816	5.6
75.00706	1.5
78.58302	0.7
78.95776	3.4
83.01238	3.0
83.04907	4.2
85.02816	8.8
87.00746	8.3
89.02313	23.0
93.03324	1.4
95.01265	1.8
95.04881	2.0
96.95882	2.4
97.02827	1.0
97.06452	1.8
99.00745	1.4
99.04393	0.8
101.02323	16.9
105.06954	1.1
106.46584	0.8
107.04928	6.2
110.43930	0.7
113.02326	9.9
113.05952	1.3
114.02613	0.9
118.05444	0.8
119.03413	6.1
120.05682	4.5
121.02833	1.0
121.10087	0.9
125.02352	2.2
131.03410	5.7
132.02075	1.1
133.02803	1.0
133.06482	1.2
134.03604	1.7
135.04431	7.2
135.07974	0.9
143.03343	1.0
145.10159	1.2
147.00775	0.9
147.04413	1.8
149.02333	3.5
149.04482	3.9
149.05806	0.9
152.04668	1.3
152.99452	1.7
159.02837	1.0
159.04414	0.9
159.08073	0.9
159.11615	0.9
160.01547	4.2
161.02264	1.3
161.04485	4.5
161.05789	1.0
161.09631	21.3
161.13249	9.6
162.09857	0.8
162.13503	1.0
163.11179	3.5
164.04649	2.5
169.10106	1.2
171.10170	2.6
174.03152	0.8
175.00357	3.7
175.03911	6.8
177.01854	2.0
179.03398	2.1
179.05498	2.9
179.10687	2.1
185.09515	0.7
187.11191	25.5
188.11545	1.9
189.09145	15.5
190.02618	10.9
191.05466	2.0
193.04939	2.1
201.11200	1.5
203.10649	2.4
205.05042	8.4
205.12250	11.1
207.10223	6.8
209.04454	0.8
209.11771	3.3
221.08235	1.6
223.06042	3.7
223.13214	1.8
227.12823	1.2
231.10097	1.7
237.15013	1.8
249.11305	12.1
251.16458	2.5
265.07132	1.4
267.12375	7.2
297.11722	1.1
325.09128	1.4
341.12262	3.5
342.12347	1.0
363.11966	1.5
399.23801	10.9
400.24380	1.0
447.16879	1.2
514.87720	0.9
531.28210	10.4
532.28442	1.8
573.23529	1.2
591.24414	100.0
592.24768	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	591.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.4
57.03312	2.8
59.01252	39.3
61.98706	8.6
64.14636	1.1
70.14787	1.2
71.01251	25.9
71.51771	1.3
72.99142	2.7
73.02808	9.3
75.00729	3.0
78.68888	1.0
83.01242	4.5
85.02835	12.1
87.00735	2.7
89.02313	10.4
91.01761	2.8
93.03340	3.6
96.95913	2.0
99.00732	3.4
101.02326	19.0
106.57286	1.4
109.02817	3.5
111.00742	1.7
113.02334	13.5
119.01271	6.3
119.03384	2.6
119.04871	1.9
120.68542	1.2
121.02847	6.0
123.04396	2.0
125.02291	4.1
131.03406	9.5
133.02890	2.5
134.03658	1.6
135.02861	3.8
135.04422	8.2
137.02281	1.5
143.03380	1.5
146.20100	1.4
147.00761	5.1
147.04433	1.5
149.01254	1.6
149.02344	25.8
149.04362	1.8
150.02917	1.4
152.00980	1.6
152.60902	1.2
153.05569	1.2
159.02895	2.3
159.04413	1.3
161.02324	1.8
161.04472	9.2
163.03860	3.3
164.04698	27.4
165.01811	2.1
165.05360	1.6
173.02293	1.5
174.03142	2.2
175.00285	39.8
175.03879	7.5
176.00868	2.2
177.01765	2.8
177.05496	2.1
179.03351	2.3
179.05565	2.8
179.07037	5.7
181.08656	2.8
182.72949	1.1
189.01671	1.6
190.02652	100.0
191.03117	7.1
191.05429	1.8
192.03958	1.4
193.01340	2.2
194.02090	1.2
203.07056	1.5
205.05014	90.2
206.05609	9.3
207.02878	3.0
208.03677	3.2
209.04451	2.3
217.31360	1.3
221.08119	11.4
222.05147	1.7
223.06085	50.8
224.06351	3.1
237.07596	3.0
247.06023	3.7
250.04787	1.4
251.05600	3.3
265.04395	2.6
265.07166	47.7
266.07492	3.0
269.08185	1.9
295.05139	1.7
295.08221	26.0
296.08493	1.8
311.07761	2.0
325.05536	2.4
325.09259	33.0
326.09543	3.3
367.10083	1.7
385.11514	10.1
397.96863	1.5
399.23886	31.7
400.24185	2.9
446.10120	1.2
531.28156	12.5
532.28717	1.5
572.13031	1.3
591.24402	55.2
592.24622	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	591.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
59.01253	13.8
61.98694	6.6
69.25783	0.7
69.31786	0.7
71.01251	8.4
71.51884	1.2
73.02827	2.3
75.00755	0.8
77.32689	0.7
78.79733	0.7
81.96082	0.6
83.01261	1.1
85.02833	2.9
87.00757	3.1
89.02316	3.4
91.01759	1.3
93.03355	0.8
95.04910	1.2
96.95866	1.9
99.00771	1.0
100.42726	0.6
101.02322	4.2
104.20399	0.8
107.04922	0.8
109.02832	0.9
113.02328	3.6
119.01261	5.8
119.03401	1.1
119.04924	1.5
121.02832	2.9
125.02332	1.8
131.03450	0.9
134.03612	2.0
135.02858	1.0
135.04408	11.7
136.05157	1.0
137.02298	1.3
138.06738	1.3
145.02827	1.3
147.00764	5.1
147.04407	2.0
149.02345	24.4
150.02948	1.4
151.03902	1.4
151.07573	0.8
152.01056	1.4
152.08301	2.0
153.09117	4.4
161.02351	2.0
161.04482	0.9
161.09682	0.8
163.03915	2.9
163.11162	1.7
164.04689	22.9
165.01822	3.1
165.05453	1.7
169.01340	1.1
169.05008	1.0
175.00279	35.2
175.03928	2.1
176.00725	2.4
177.01837	1.7
177.05511	1.2
179.03439	1.8
179.07008	3.7
180.04088	1.5
187.11234	0.8
189.01849	1.6
190.02637	95.9
191.03116	6.2
191.05402	0.7
195.06549	3.0
205.04996	93.5
205.12271	5.0
206.05434	7.0
207.02977	1.5
208.03662	1.9
209.04532	3.3
221.08115	2.8
222.08566	0.9
223.06062	41.4
223.13293	1.1
224.06383	1.7
237.14903	1.2
249.77789	0.8
250.04762	1.0
251.05518	1.3
265.07172	7.9
269.08334	0.8
295.08194	2.0
300.02307	0.8
325.09259	2.3
362.51559	0.8
367.10425	3.9
389.15298	0.8
399.23663	2.1
413.48984	0.7
477.69217	0.7
531.28430	1.5
547.22034	1.0
591.24390	100.0
592.24689	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	590.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.0
61.98702	100.0
71.01258	1.6
73.02810	0.4
75.00774	0.4
78.95772	0.2
85.02831	0.6
89.02319	1.4
96.95899	0.2
98.19841	0.6
98.61855	0.2
99.00760	0.3
101.02329	0.8
102.02690	0.3
125.02358	0.6
131.03413	1.1
137.02356	0.3
149.04469	0.8
149.06015	0.7
151.03929	0.2
152.99544	0.2
160.01628	0.3
165.71777	0.2
175.03915	1.3
176.04233	0.3
191.05583	0.5
193.04993	0.5
233.15501	0.8
234.15802	1.1
235.17050	4.6
236.17368	3.8
291.47241	0.3
293.08939	0.4
358.82565	0.2
429.10004	0.5
504.31955	0.2
530.26703	0.4
590.33398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
58.00450	1.2
59.01249	17.2
61.98698	3.0
62.26095	0.6
63.14574	0.6
65.00220	0.8
71.01252	12.5
72.70229	0.6
72.99181	1.1
73.02821	1.4
75.00742	1.8
83.01263	1.4
85.02812	4.5
87.00739	1.2
87.04435	0.6
89.02303	6.9
91.01759	1.4
93.03325	1.6
95.01247	0.6
96.95879	1.2
98.19718	1.0
99.00749	1.8
101.02318	5.8
104.11363	0.7
107.04885	0.8
109.02790	0.7
111.00784	0.9
113.02315	4.4
119.01281	3.3
119.04957	0.7
121.02862	4.7
125.02305	1.4
129.01863	1.0
134.03630	1.9
135.02901	1.6
135.04384	4.5
145.02858	0.9
147.00786	3.5
147.04428	1.4
149.02341	32.8
150.02661	0.7
152.01045	2.1
161.02338	1.5
161.04477	1.0
162.03146	1.1
163.03915	9.4
164.04700	38.3
165.01898	1.4
165.05193	3.0
166.02676	1.1
167.03423	0.7
169.04951	0.7
174.03189	0.7
175.00285	27.2
175.03926	0.9
176.00670	0.8
177.01799	0.9
177.04092	1.2
177.05498	2.8
178.06161	1.6
179.03400	1.0
179.07047	13.0
187.11208	0.6
188.04671	1.0
189.01837	1.1
190.02640	76.7
191.03271	10.6
191.05319	1.6
193.01352	4.0
193.04965	0.9
203.07089	2.2
205.04999	68.1
206.05754	21.6
207.02878	6.4
207.06195	1.5
208.03700	9.7
209.04343	2.2
221.08139	25.6
222.05153	1.6
222.08432	2.5
223.06061	81.3
224.06401	5.4
232.03806	1.6
235.02426	2.3
237.07645	7.2
247.06061	7.3
248.06651	1.0
250.04756	7.0
251.05379	1.4
251.09161	1.1
265.07153	93.6
266.07492	6.7
268.33847	0.7
277.07166	1.5
289.07239	1.2
295.08197	66.9
296.08572	6.2
310.07028	1.0
311.07364	0.7
325.09262	100.0
326.09604	10.4
355.10260	0.9
357.95636	0.8
367.10321	2.2
385.11362	16.4
386.11780	1.9
399.23819	1.3
531.27795	3.0
555.24963	0.9
591.24335	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	589.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.0
58.00467	2.7
59.01249	100.0
61.98703	16.6
70.58627	4.6
71.01252	67.5
71.22842	1.5
72.99186	4.0
73.02817	11.9
78.95771	4.4
83.01274	4.9
85.02828	14.1
87.00757	5.0
88.98630	1.6
89.02315	81.5
93.03326	1.7
95.01278	3.7
96.95899	6.9
96.96865	1.4
97.02818	3.8
99.00751	10.0
101.02320	52.1
113.02333	20.1
119.03392	14.9
124.12867	1.6
125.02340	8.5
129.01857	2.3
131.03401	34.4
131.04907	2.6
135.04301	1.4
143.03413	6.4
149.04462	54.4
151.00201	1.6
156.84984	1.6
159.02994	1.7
161.04477	9.5
174.03142	13.2
175.03920	67.1
176.04277	5.4
179.05507	6.1
191.05537	27.6
207.10086	2.0
209.11653	3.0
221.06677	1.6
229.05078	1.7
233.06580	2.1
251.07626	5.4
269.17575	2.1
293.08798	7.6
311.09702	4.1
311.18646	2.9
397.22296	74.2
398.22580	9.1
457.05640	2.2
526.23145	1.9
529.26532	42.5
530.26953	6.4
589.25513	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	589.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03334	6.8
57.43648	0.8
58.00470	3.0
58.20475	0.8
59.01249	100.0
60.01593	0.8
61.35009	0.9
61.98693	4.3
69.03339	1.9
70.11664	1.0
71.01253	68.8
71.31001	1.1
71.31342	1.0
72.01582	1.1
72.99182	2.5
73.02818	10.2
75.00728	1.0
78.20544	0.8
83.01268	4.3
85.02824	14.6
87.00744	2.5
89.02316	72.2
90.02686	1.1
94.52925	0.8
94.64784	1.0
95.01279	2.9
97.02837	3.4
99.00768	5.9
99.56719	0.8
101.02319	39.5
107.08545	1.2
111.00748	0.9
113.02327	15.7
119.03398	9.5
125.02328	9.7
126.02650	1.1
129.01852	2.6
131.03397	41.5
131.04950	2.2
132.03766	1.6
141.01944	0.9
143.03381	4.2
147.04378	1.2
149.04459	70.9
150.04878	1.6
152.99420	1.2
159.02866	1.9
159.04350	1.0
159.93475	0.9
161.04463	10.1
174.03152	7.4
175.03920	68.2
176.04259	6.3
177.04527	1.5
177.12697	5.2
179.05565	8.0
191.05539	31.3
192.05930	1.8
207.13867	0.9
209.11758	1.8
221.06532	4.3
233.06636	2.2
233.11742	1.1
251.07666	4.0
269.13934	2.3
281.08707	1.4
293.08765	3.7
311.09805	7.1
397.22287	20.2
398.22754	2.6
413.18063	3.1
431.19223	1.1
474.86240	0.9
529.26630	8.8
530.27057	1.4
589.22693	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	589.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.4
55.78974	1.3
57.03309	3.8
58.00470	3.2
59.01247	100.0
61.98695	3.9
63.62529	1.3
71.01250	61.8
72.99171	2.8
73.02816	8.2
83.01260	5.8
85.02819	15.7
87.00751	3.5
89.02315	79.3
95.01252	2.4
97.02826	1.5
98.19788	3.1
99.00744	8.8
101.02320	43.4
113.02331	19.9
119.03378	17.6
125.02353	3.0
129.01813	2.1
131.03397	40.7
131.92923	1.1
138.07059	1.3
143.03401	5.2
149.04448	39.3
159.04390	2.0
161.04459	4.5
173.04373	1.7
174.03163	3.0
175.03952	13.6
179.05513	7.9
191.05530	26.0
221.06650	2.7
233.06624	1.2
238.61671	1.2
244.91977	1.1
251.07668	3.6
258.50482	1.1
260.74298	1.1
285.39908	1.3
311.09872	1.2
336.98837	1.2
397.22272	68.1
398.22647	7.1
403.36340	1.5
494.58139	1.3
529.26593	27.9
530.26227	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	589.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.7
57.03318	4.0
58.00462	2.2
59.01249	57.3
61.98697	11.7
63.95238	1.1
65.04810	1.0
69.10065	0.9
71.01251	53.8
72.01555	1.2
72.99171	2.5
73.02817	14.9
74.03123	0.9
75.00745	2.3
83.01268	5.4
85.02817	18.3
86.63790	1.0
87.00753	3.2
88.98700	1.0
89.02316	42.0
95.01261	3.6
97.02840	2.3
98.19771	2.0
99.00750	9.5
101.02316	45.4
111.00761	1.1
111.04404	1.2
113.02330	18.7
119.03368	6.9
125.02335	5.3
131.03401	18.7
131.04945	1.5
134.03638	1.5
137.02385	2.3
143.03413	5.9
149.04463	24.4
149.05693	2.0
159.02913	2.8
159.04353	1.4
160.01555	4.1
161.02379	1.1
161.04451	12.1
166.32164	1.1
173.04485	1.8
174.03133	3.8
175.03926	24.8
176.04320	2.3
177.01874	1.5
179.05482	4.8
187.03886	1.0
191.05540	11.3
193.04950	1.6
209.11766	1.6
229.72807	1.2
233.06631	2.1
251.07780	1.5
293.08823	2.7
357.26782	1.2
397.22281	100.0
398.22656	12.4
427.21201	1.7
529.26526	42.2
530.26593	7.5
587.81506	1.3
589.25854	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	589.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
56.43717	0.3
57.03317	0.5
58.00458	1.4
59.01250	44.6
59.98401	2.1
60.35431	0.4
61.98682	0.9
66.90163	0.4
69.03326	1.1
69.19946	4.1
71.01252	24.1
72.99169	1.2
73.02814	2.6
75.00744	0.4
81.03315	0.9
83.01267	0.9
85.02820	3.0
87.00783	0.6
89.02316	33.6
90.02637	0.5
97.02835	2.4
98.03622	0.4
99.00764	1.5
99.04391	2.9
101.01705	0.8
101.02322	10.2
113.02336	4.4
119.03384	1.4
120.20268	0.4
125.02339	12.0
125.03260	0.7
126.02760	0.4
131.03403	13.0
131.04416	0.6
132.03740	0.4
136.75105	0.4
143.03406	1.2
143.10640	0.6
149.04460	15.1
150.04825	0.6
161.04474	0.9
191.05548	7.4
209.11768	1.0
222.17735	0.4
226.39142	0.4
233.06604	0.8
235.16995	100.0
236.17334	8.2
259.17020	0.5
277.18179	0.5
293.08786	11.0
294.09106	1.0
311.09827	0.5
529.25867	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	589.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28170	1.2
51.78416	1.4
55.01744	5.3
57.03308	5.9
58.00462	3.5
59.01249	98.6
60.01571	1.7
61.98701	15.2
69.25575	10.6
69.25987	4.2
71.01253	79.9
72.01598	2.0
72.99166	4.3
73.02816	17.8
75.00748	3.9
78.95760	3.8
79.96249	1.7
83.00825	1.7
83.01245	9.6
85.02815	26.8
87.00748	3.8
89.02312	73.8
90.02602	1.5
95.01230	4.3
97.02821	2.0
98.20574	3.2
99.00761	12.0
101.02319	71.0
102.02683	1.6
111.00761	3.2
113.02328	25.7
115.03873	1.5
119.03389	10.4
123.04376	1.9
125.02319	7.3
129.01811	3.1
131.03391	56.1
135.04356	2.1
143.03384	6.5
149.04460	79.1
150.04791	1.6
152.99513	1.8
159.02974	2.2
159.04373	3.6
160.01555	4.1
161.04442	10.1
174.03024	3.1
175.03926	22.7
176.04276	6.5
177.01846	1.9
177.04420	2.0
179.05583	2.1
191.03793	2.4
191.05534	45.9
192.05812	2.0
198.64728	1.4
199.09531	1.3
200.18434	1.2
221.06578	4.3
224.98003	1.3
233.06467	1.8
251.07726	7.3
258.15933	1.4
311.09772	5.6
397.22275	100.0
398.22635	10.3
435.49457	1.4
492.12454	2.4
529.26624	36.4
530.26831	5.4
589.25653	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	589.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.00967	0.5
59.01252	8.4
61.98698	5.0
69.03320	0.9
69.35065	1.5
69.35487	1.8
71.01250	4.9
72.68256	0.4
72.99178	1.5
73.02803	2.2
74.62164	0.4
75.00740	0.9
77.03822	0.5
83.01257	1.1
83.04885	0.8
85.02823	2.2
87.00751	1.2
88.98675	1.2
89.02321	2.6
89.03793	0.6
93.03335	3.1
95.04896	2.2
96.95892	0.6
97.02834	0.7
101.02325	2.8
105.03347	5.7
107.01279	0.5
109.02848	1.9
111.00768	1.2
111.04408	2.5
113.02329	1.6
115.00195	0.7
117.03391	0.5
119.03403	0.8
119.04912	1.4
121.02829	1.5
123.00756	0.6
123.04395	1.4
123.62334	0.4
125.02332	3.8
126.02687	0.5
127.02790	0.4
129.01735	0.5
131.03391	0.5
131.04918	5.2
131.40240	0.4
133.02847	30.3
134.03542	1.3
135.02884	0.7
135.04428	3.9
137.02359	2.2
139.03914	0.6
145.01784	0.4
145.02867	2.1
147.04446	1.7
149.02318	0.6
149.04494	0.5
151.00261	1.2
151.03880	0.7
155.03384	1.8
157.02808	1.0
158.03658	0.6
159.04443	0.4
160.01526	0.7
161.02365	2.6
161.04477	1.2
163.00281	0.6
163.03932	1.0
165.01837	1.2
169.01337	2.3
170.01744	0.8
173.02354	1.0
173.04462	5.9
174.03136	12.2
175.03917	100.0
176.04265	5.0
177.01842	26.5
178.02571	3.1
178.99835	0.5
179.03416	2.5
181.08626	1.3
182.02115	0.5
187.07396	0.5
189.01904	1.9
190.02617	1.0
191.03574	0.6
191.05487	2.1
191.06966	0.4
195.06541	0.6
199.03912	0.5
201.01778	0.5
205.04919	0.6
207.02942	7.2
208.03357	0.5
209.08101	1.1
213.02072	0.4
215.03465	0.7
217.01291	0.9
217.04962	0.7
221.04457	0.5
222.03143	0.5
222.05278	7.5
223.05878	1.3
224.04543	0.4
227.03386	0.7
237.05315	0.6
237.07619	8.2
241.04993	0.5
241.17853	0.4
243.03000	0.7
269.10321	1.5
271.02448	0.6
281.04675	0.4
287.01990	0.6
295.02396	0.5
296.03558	0.5
300.02707	1.0
309.04123	0.6
311.05804	0.5
311.11264	0.7
315.01364	1.1
325.03458	0.6
330.05176	0.5
337.07083	0.9
353.10034	0.9
355.04361	2.1
367.10211	0.7
371.11624	0.6
383.07541	3.3
387.07315	0.9
397.22348	1.1
413.08856	2.5
414.08679	0.5
415.10364	4.8
427.11710	0.7
437.05615	0.8
454.46445	0.5
473.14154	0.5
529.24872	1.2
589.14838	2.3
589.26123	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	587.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34523	0.7
55.01763	0.9
57.03329	1.7
58.00467	3.6
59.01249	100.0
60.01583	1.3
61.98702	3.6
69.29079	6.7
71.01253	61.1
72.99179	4.1
73.02818	6.8
76.80708	0.7
77.82900	0.6
78.02271	0.7
82.75955	0.7
83.01273	3.0
85.02825	9.6
85.78307	0.7
87.00750	2.1
89.02315	88.5
90.02687	1.5
93.03335	1.7
96.95888	1.4
97.02851	1.2
99.00756	6.7
99.04439	0.9
101.02321	39.1
102.02692	1.3
111.00789	1.1
111.04396	0.8
113.02327	10.6
119.03390	6.8
119.04895	1.2
125.02321	4.6
129.01840	3.3
131.03394	63.0
132.03711	1.2
134.03696	0.8
135.02852	1.0
135.04462	1.2
137.02441	0.7
140.24380	0.7
142.84633	0.8
143.03412	0.9
149.04456	70.5
150.04836	2.2
159.04489	0.7
160.01602	0.9
161.02382	1.8
161.04462	1.0
169.01334	2.0
173.04500	2.7
174.03120	1.0
175.03899	3.5
177.01866	1.1
178.90477	0.7
179.03271	0.8
190.02699	0.9
191.05550	39.1
192.05888	1.6
203.77708	0.6
221.06653	2.6
245.62553	0.8
247.14389	0.6
251.07730	2.1
287.61316	0.8
293.08514	1.0
301.00095	0.9
311.09879	2.4
312.10028	0.7
324.02988	0.8
341.06891	1.0
424.87393	0.8
435.10968	1.2
479.45569	0.8
587.27179	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	587.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.6
58.00467	0.7
59.01252	34.6
60.01582	0.9
61.98701	10.0
69.03319	1.3
71.01254	20.4
71.50806	1.0
72.99171	2.0
73.02822	2.1
76.48118	0.7
78.95778	42.3
81.03345	0.9
83.01246	1.6
83.04901	1.6
85.02823	3.4
87.00764	1.4
89.02318	28.1
95.01256	0.9
95.04845	0.7
96.96840	4.7
97.02834	2.0
99.00744	2.5
99.04433	1.3
101.02326	8.1
103.22394	0.8
113.02336	4.2
119.03395	2.3
125.02341	11.7
131.03395	12.0
133.35527	0.8
143.03407	1.5
145.02831	1.1
149.04469	13.6
149.05692	1.2
152.99496	28.4
161.04526	0.8
163.05939	1.1
163.11139	1.1
165.12660	0.9
171.10181	9.6
174.03142	2.1
175.03978	5.3
182.11491	0.8
191.05544	5.8
195.13867	2.2
197.11787	8.4
205.12247	1.5
206.06970	0.8
209.11777	25.6
210.12103	1.8
223.13353	14.0
224.13718	0.8
227.12886	4.6
233.06607	2.4
233.15428	100.0
234.15744	8.1
261.14911	1.4
293.08789	9.6
298.98328	1.1
299.99158	2.5
300.99777	1.2
359.12567	7.0
363.12177	14.1
364.12286	1.1
377.13803	2.9
381.13361	4.3
417.01767	0.9
425.19528	1.7
487.33902	1.0
527.25000	1.4
587.25873	14.8
588.26764	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	587.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.7
59.01250	18.6
60.01575	0.3
61.98701	1.9
69.03310	0.3
69.98898	1.3
71.01254	11.6
72.99172	0.6
73.02816	1.6
78.95770	0.7
83.01251	0.8
85.02831	1.9
87.00742	0.6
89.02316	14.8
90.02656	0.5
95.01254	0.3
96.95855	0.5
97.02824	1.9
99.00750	0.9
101.02323	5.8
113.02343	2.0
119.03365	0.9
124.01542	0.3
125.02328	4.2
129.01816	0.4
131.03395	9.3
134.03716	0.3
134.74458	0.3
143.03415	0.4
147.83533	0.3
149.04468	5.6
149.05704	0.5
160.52713	0.3
161.04539	0.5
165.12712	0.4
171.10249	0.5
173.04416	0.4
174.03149	0.4
175.03882	1.5
191.05536	3.8
197.11617	0.4
233.15422	100.0
234.15749	9.0
253.09271	0.8
271.22739	0.6
275.16425	0.3
278.23825	0.3
291.19675	3.9
293.08780	6.6
294.08975	0.4
305.40076	0.3
334.04810	0.5
355.47299	0.2
377.14288	0.3
527.24829	2.9
528.25317	0.8
587.15424	1.1
587.30585	5.6
588.30829	0.7
608.95795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33271	0.5
59.00964	0.6
59.01246	6.4
61.68174	0.4
61.97578	0.4
61.98705	4.6
65.00178	0.5
69.03322	0.8
71.01241	2.3
71.52055	0.6
72.99190	0.8
73.02810	1.2
75.00717	0.9
83.01252	0.8
85.02816	1.3
87.00723	0.7
89.02335	2.2
93.03334	3.6
95.01254	0.9
95.04866	0.8
96.95911	0.8
97.02835	0.9
99.00761	0.7
99.04359	0.6
101.02306	2.0
108.02026	0.5
109.02837	4.6
111.00734	0.6
111.04388	0.6
113.02309	1.4
117.03350	1.3
119.04895	1.1
120.99485	0.6
121.02812	0.9
123.00739	2.2
123.04414	3.6
124.01549	0.8
125.02338	21.2
126.02629	0.8
131.03372	0.6
131.04817	0.6
131.45506	0.5
133.02831	1.5
134.03624	0.8
135.02867	0.9
135.04448	1.2
137.02333	0.9
139.00272	0.7
141.01819	0.6
143.05035	0.6
145.02861	5.1
146.03203	0.5
147.04384	1.4
149.02336	1.6
149.04431	1.2
151.00241	1.3
151.03903	3.1
159.04404	1.5
160.01576	1.1
161.02348	1.2
161.04506	1.0
161.05878	1.1
163.03932	3.8
164.04745	0.8
165.01949	0.5
166.99738	1.3
167.03352	0.5
168.00568	0.8
169.01337	38.9
170.01656	1.3
171.04457	0.5
173.02333	4.2
173.04408	0.7
174.03139	56.6
175.03879	10.0
177.01849	10.1
177.48259	0.5
179.03468	0.7
183.04471	0.5
183.10162	0.6
185.02313	0.5
185.05977	0.6
187.03937	3.1
188.01071	2.0
188.04521	0.9
189.01854	8.0
189.05548	0.6
190.02591	2.3
191.01817	0.8
191.03430	2.4
191.05426	0.8
193.01358	3.1
193.05008	0.6
201.01901	3.3
201.05467	0.7
202.02530	1.1
203.03372	1.3
205.05020	1.1
216.00539	1.7
217.01378	8.0
217.04947	3.5
218.02150	100.0
219.02734	11.0
223.06061	1.3
225.11266	0.7
225.59973	0.5
227.07233	0.6
229.01462	0.5
229.05003	5.5
231.02979	3.0
231.88033	0.5
232.03621	0.6
233.04509	0.9
241.05171	1.0
243.03090	1.1
247.06079	1.8
261.04019	1.3
269.04459	0.5
271.06097	5.1
275.05585	0.8
279.06305	0.6
281.04562	2.1
283.06116	1.5
289.07260	0.9
291.05164	1.1
295.08429	0.7
297.07797	1.2
300.99600	0.8
303.05029	1.4
311.05643	1.6
323.05621	2.7
337.09195	0.8
339.05133	0.5
341.06647	21.1
342.06903	2.1
381.08154	0.9
402.60101	0.6
417.09659	2.4
435.10858	18.0
436.11301	2.5
477.08325	1.0
569.12592	0.6
587.14020	17.9
587.27704	2.5
588.14392	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	587.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00804	0.5
59.01250	3.4
61.31751	0.5
61.98698	1.9
64.59475	0.5
65.00178	0.5
67.01748	0.6
69.03328	1.5
69.32624	4.2
71.01253	1.7
81.03358	0.7
83.01266	0.6
85.02780	0.9
89.02307	1.5
91.01756	0.6
92.89584	0.6
93.03332	8.9
93.94299	0.5
95.01268	1.5
95.04902	0.7
95.49459	0.5
97.02827	1.7
98.19816	1.1
107.01277	0.9
109.02835	12.8
111.00781	0.7
113.02422	0.5
117.03341	1.3
119.03504	0.6
119.04919	2.5
120.99539	2.2
121.02818	1.7
122.03616	1.3
123.00777	3.5
123.04420	9.0
125.02338	51.9
126.02674	1.9
131.03413	0.7
133.02884	3.6
135.00743	0.7
135.02800	0.7
135.04402	1.1
137.02344	1.0
145.02850	15.7
146.03207	0.8
147.04431	2.4
149.02361	2.9
150.03165	4.1
151.03934	4.3
151.94276	0.5
159.04388	1.7
161.02357	1.7
161.05998	1.4
163.00351	0.9
163.03918	1.0
165.05463	4.3
166.05981	0.8
166.76160	0.6
166.99770	4.1
168.00496	0.7
169.01335	100.0
170.01663	4.3
173.02415	0.7
175.03886	1.7
176.00992	1.2
177.01849	46.7
178.02211	2.0
181.08615	0.8
187.03941	2.6
189.01854	34.7
190.00818	2.1
190.02579	7.5
191.01634	3.5
191.03397	7.9
193.01323	4.7
195.06511	3.7
201.01886	3.0
203.03378	3.7
205.05013	1.8
208.99135	0.5
211.09566	0.6
216.00597	6.0
217.01355	29.7
218.01962	2.8
219.02930	10.6
219.13695	0.8
220.03201	0.8
227.07004	0.8
229.05014	2.1
231.02919	9.3
232.03371	1.4
233.04424	1.1
241.05040	2.9
243.06654	0.8
245.08165	0.7
251.07211	0.7
253.05032	0.6
259.06155	0.6
269.04523	1.2
271.06131	10.7
275.05676	2.2
279.06766	0.6
281.04486	2.4
283.06110	6.5
289.07126	2.8
295.06079	0.7
297.07605	1.6
306.14343	0.6
307.08054	0.8
311.05518	6.5
312.05914	1.0
323.05597	23.9
323.09460	1.3
324.02649	1.2
324.05960	2.8
325.03540	1.7
341.06635	64.7
342.06906	6.0
353.07257	0.6
417.09756	13.2
418.10190	2.1
419.11456	0.7
433.09381	1.5
435.10818	91.7
436.11121	13.0
437.08826	1.3
449.09290	0.6
461.08707	0.7
477.08453	3.8
478.09033	1.4
484.07703	0.7
499.10760	1.7
543.13348	0.6
587.12012	21.0
587.26135	1.1
587.30548	0.7
588.11963	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	587.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.0
60.53437	0.4
61.98697	2.5
67.01771	0.6
67.67439	0.4
68.30908	0.4
68.99707	0.5
69.03321	2.1
71.01256	3.1
72.99169	0.9
75.00784	0.4
76.91225	0.4
79.01771	0.8
79.95609	0.6
81.03317	0.8
81.95193	0.6
83.01260	0.7
85.02833	0.8
87.00771	1.3
89.02313	1.5
89.90409	0.5
93.03345	1.0
95.01282	1.3
96.95892	2.0
97.02827	2.3
98.20576	1.1
98.95473	1.0
101.02317	1.9
107.01269	11.9
107.04874	0.6
109.02846	1.4
111.00761	1.9
113.02333	1.1
114.18518	0.4
119.04906	0.8
121.02842	18.1
122.03111	0.7
123.00770	5.5
123.04423	1.1
124.01581	1.3
125.02336	79.6
126.02668	2.2
128.66852	0.5
128.97218	0.5
133.06488	0.5
135.04422	2.5
136.98727	0.8
137.02345	1.3
139.00264	2.6
139.03912	1.1
140.01080	2.2
141.01784	0.7
149.02342	1.1
149.04446	0.5
150.03107	0.8
151.00276	4.4
151.03915	1.0
152.00940	0.5
153.01840	0.5
155.01614	2.2
161.02347	0.8
161.05902	0.5
165.01895	1.1
165.05446	0.5
166.06247	2.0
167.03432	1.2
168.00592	2.7
169.01338	100.0
170.01683	3.8
175.03909	0.7
177.01810	1.8
179.03403	0.9
179.05649	0.5
181.08603	1.2
187.03964	0.6
187.11209	0.4
189.01868	2.2
189.05463	0.8
189.13550	0.4
190.02728	0.5
191.03474	0.8
191.05528	0.5
193.01363	1.3
205.04939	0.5
205.60870	0.5
211.02373	1.8
217.01357	1.2
221.98630	0.4
223.02367	0.7
255.06583	1.0
295.04678	0.6
300.99988	0.7
313.05557	1.2
324.02768	1.7
325.03436	0.7
341.06680	3.2
375.06970	1.1
417.08249	19.7
418.08649	2.4
435.09830	4.8
436.10425	0.5
487.08655	1.4
499.16037	0.4
525.28540	0.6
587.10266	40.4
587.25452	1.3
588.10681	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	586.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90082	0.6
56.11885	0.6
57.03309	0.7
59.01249	5.1
61.98702	6.6
63.30551	0.6
65.00205	0.8
67.01773	1.0
71.01260	3.2
72.99146	0.7
73.02814	1.9
74.27524	0.7
76.90108	0.6
79.01749	0.8
83.01234	1.5
85.02819	1.4
89.02316	0.8
93.03333	0.8
95.01255	1.4
95.60442	0.6
96.95914	1.5
97.02798	1.1
98.20520	1.3
101.02337	1.5
107.01275	4.0
108.02107	1.5
109.02816	0.7
111.00750	1.9
113.02326	1.3
121.02838	0.8
122.99925	0.9
123.00764	12.6
125.02330	18.2
126.02657	0.8
127.00250	0.8
135.04395	1.4
136.98727	1.2
137.02370	1.1
139.00298	4.6
140.01115	2.9
141.01797	2.1
150.03180	0.7
151.00279	10.6
151.03918	0.8
151.15149	0.6
152.00797	1.4
153.01781	1.4
168.00627	3.1
169.01340	20.2
170.01631	1.2
177.01912	0.8
178.99809	1.4
179.03334	0.7
180.00053	0.6
181.04869	0.8
194.63556	0.6
211.02411	0.8
227.03337	0.6
243.03027	1.2
244.03311	1.3
255.02972	2.4
256.03323	2.6
257.03537	0.9
271.02255	4.2
271.04950	1.0
272.02768	5.4
273.02982	3.2
274.03543	1.7
299.99347	1.2
300.02646	5.8
300.99756	3.0
301.03183	10.3
302.00168	2.1
302.03528	6.7
303.03635	4.8
313.05646	1.2
434.08298	1.3
465.09125	1.1
466.09573	1.4
501.79932	0.7
523.21802	100.0
524.22156	19.7
528.67377	0.7
586.10449	13.8
586.24023	2.0
587.10382	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	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03319	1.5
58.00452	0.5
59.01248	26.7
61.98704	4.5
69.03323	0.5
69.54900	3.1
71.01251	3.1
72.99170	0.5
73.02814	4.8
79.68331	0.4
81.64366	0.4
83.01257	5.8
85.02824	1.2
88.98678	0.7
89.02316	1.4
93.03330	1.8
95.01277	0.8
95.04918	1.4
96.95887	2.0
97.02827	0.8
97.06460	0.9
99.04387	0.6
101.02324	3.5
107.01249	0.8
108.02065	0.6
109.02841	0.6
109.06447	0.7
111.04308	0.5
113.02320	1.4
117.03346	0.8
119.04949	0.9
119.74416	0.5
121.02833	3.0
122.03673	0.8
123.04406	81.1
124.01545	0.5
124.04726	2.4
125.02309	4.1
133.02829	1.4
135.04428	1.6
137.02327	2.6
137.05983	0.6
145.02785	0.8
149.02359	0.5
150.03065	0.8
151.00317	1.0
151.03911	1.8
152.04686	1.4
153.05473	100.0
154.02585	0.5
154.05818	4.1
155.03369	0.7
159.04416	0.7
161.02356	6.6
161.04475	0.5
163.03906	0.6
165.01828	9.9
165.05466	0.6
166.02299	0.7
167.10658	1.2
169.01350	3.7
173.02350	0.5
174.02998	0.5
175.03911	1.1
177.01865	0.9
179.03403	2.4
180.04173	5.0
181.04912	0.7
181.08588	0.7
185.02379	0.7
190.02617	0.5
191.03418	0.7
191.05420	0.5
193.04945	0.7
194.05696	0.5
195.06567	8.8
196.07260	0.6
197.08073	0.7
201.01888	0.8
203.03380	1.2
207.13795	1.3
209.11812	1.8
210.05336	1.4
213.01947	0.5
219.06609	0.6
225.07625	6.2
225.14908	2.8
227.12828	12.0
228.13211	0.5
229.01305	2.4
231.02893	0.7
233.11720	1.1
239.24370	0.6
249.03986	0.9
249.45488	0.5
251.12848	0.9
253.36584	0.5
257.00922	1.8
269.14032	2.6
271.06036	0.6
275.01962	5.8
276.02301	1.0
283.99579	0.7
287.14938	5.8
288.15369	0.6
297.09625	2.6
299.99106	2.9
300.99893	24.9
301.03195	1.0
302.00183	1.8
311.15121	0.6
313.05624	0.9
315.10861	4.9
329.13626	0.7
357.11899	5.0
358.12180	0.7
371.17181	0.8
413.18246	0.7
430.01642	0.6
431.19315	2.7
433.03992	3.3
537.20941	0.8
549.23413	3.4
550.23926	0.5
567.24310	3.8
568.23828	0.6
585.09674	5.0
585.25458	54.8
586.09283	1.0
586.25793	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	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48424	0.2
57.03331	0.5
58.00492	0.2
59.01251	5.6
61.98702	7.0
62.65769	0.2
67.01775	0.3
67.69377	0.2
69.03331	0.5
70.91569	0.5
71.01260	3.8
72.99191	0.6
73.02818	0.8
75.00735	0.5
78.95763	0.2
81.03333	0.5
83.01262	0.7
83.04892	0.8
85.02820	1.5
87.00749	1.0
89.02328	2.1
93.03335	5.0
95.01272	0.8
95.04901	0.7
96.95908	1.0
97.02839	0.3
99.00731	0.3
99.04391	0.3
101.02319	2.2
104.02921	0.2
105.03339	0.5
107.01290	0.6
107.04922	0.4
108.02053	0.6
109.02837	1.0
109.06404	0.3
111.00794	0.3
111.04408	1.0
113.02311	1.3
113.78433	0.2
114.75864	0.2
119.03367	0.4
120.99548	0.4
121.02834	5.3
122.03628	13.5
122.60921	0.2
123.00820	0.5
123.04493	1.7
124.01556	0.9
125.02328	3.6
126.02683	0.3
129.01790	0.2
131.03450	0.2
132.02048	0.5
133.02846	1.8
134.03661	0.5
135.04436	1.0
136.01599	1.2
137.02359	1.8
137.05988	0.2
139.00284	0.4
143.03377	0.4
147.04378	0.3
149.02351	20.6
149.05972	1.6
150.03128	92.9
151.00264	0.9
151.03455	4.1
153.01820	0.8
153.05463	0.4
155.03400	0.7
155.10660	0.3
159.04471	0.4
160.01588	0.7
160.05232	0.3
161.02351	0.7
161.04460	0.4
162.03114	0.2
163.03947	0.3
163.11200	0.3
164.04715	3.8
165.05481	100.0
166.02670	0.2
166.05832	5.5
167.03394	1.7
168.00510	0.3
169.01366	1.5
171.04442	0.3
172.05208	1.0
173.04451	1.3
173.05925	0.4
173.69275	0.2
174.03149	0.5
175.03944	1.2
177.01830	0.4
179.03290	0.4
180.04201	6.3
181.04971	0.3
181.08624	0.9
185.02310	0.2
185.05986	0.5
187.03951	0.6
191.03474	0.2
191.05565	1.7
193.04930	0.4
195.06555	70.9
196.06897	4.5
197.06033	0.3
199.04034	0.3
201.01826	0.4
201.05585	0.5
202.06267	0.6
203.03310	0.4
204.04112	0.3
209.09901	0.4
209.11775	5.1
210.11996	0.6
211.03995	0.3
213.02007	0.2
213.05562	0.3
223.09688	0.6
225.15068	0.3
227.03384	0.4
227.07103	0.4
227.12830	0.5
228.08046	0.2
230.09560	0.2
241.05084	0.3
242.09464	0.8
255.02888	0.2
255.06580	2.2
256.06964	0.3
257.01071	0.3
257.11798	0.3
267.06519	0.3
268.07178	0.2
269.04678	0.2
269.08078	0.5
270.06250	0.3
270.08960	1.9
271.06259	0.3
271.09256	0.5
271.99524	0.3
274.99115	0.2
275.01974	0.5
282.09058	0.4
283.13364	6.6
283.99692	0.3
284.06799	0.4
284.13721	1.0
285.04019	0.5
285.08054	0.5
285.11279	1.7
286.08469	0.4
287.08810	0.3
295.09705	0.3
298.08524	1.3
298.98489	0.3
299.09216	1.7
299.99179	2.0
300.02298	0.3
300.09668	0.3
300.99890	9.8
301.11060	0.5
301.14398	1.7
302.00079	0.9
309.14862	0.4
310.08423	0.4
311.09097	0.9
311.12543	0.3
313.07077	0.2
313.10773	0.9
314.08038	1.7
324.09933	0.4
325.10693	0.7
326.07880	1.1
326.11615	0.5
327.12225	0.6
327.15976	1.4
328.12918	0.4
329.10278	5.2
330.10617	0.7
341.10257	6.2
341.14297	0.4
342.10580	0.8
344.12613	5.9
345.13101	0.7
345.17053	0.9
356.12592	2.2
357.12897	0.4
359.14966	19.3
360.15305	2.6
371.14966	14.5
372.15378	2.0
383.11401	0.3
385.13037	1.7
393.14713	0.8
393.64911	0.3
393.69647	0.2
395.05627	0.2
397.13480	0.5
403.19440	0.3
433.04105	2.8
434.04285	0.4
480.17401	0.5
507.20279	0.7
537.21112	1.6
549.15863	1.3
585.04858	1.4
585.13800	0.3
585.22803	3.3
585.73627	0.6
586.06146	0.3
586.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73879	0.4
59.01263	1.0
61.98702	6.9
69.33634	3.0
70.13696	0.3
71.01281	0.5
79.95602	3.8
93.03333	3.6
95.01281	1.1
96.95879	3.1
105.03301	0.5
108.02027	0.5
109.02853	0.8
121.02848	7.2
122.03642	15.9
123.00787	0.5
123.04472	0.7
124.01614	0.6
132.02046	0.4
133.02847	2.1
135.04451	0.7
136.01576	2.0
137.02368	1.0
137.06122	0.4
141.95741	0.4
149.02345	39.5
150.03130	100.0
151.03468	4.2
153.05452	0.9
160.01524	0.9
163.03883	0.4
164.04710	6.7
165.05478	97.6
166.05833	4.7
179.07030	1.5
180.04192	5.7
181.04584	0.6
195.06555	67.5
196.06897	3.7
197.69579	0.4
211.03947	0.4
223.09689	0.7
242.09259	0.7
257.11945	0.5
269.08182	1.1
270.09042	2.1
271.09341	0.6
273.11295	0.4
280.07416	0.7
282.08832	0.7
283.09717	1.5
284.06937	0.5
285.08270	0.5
285.11322	1.7
286.08585	0.5
295.09842	0.5
297.07654	0.7
297.11075	0.8
298.08362	1.2
298.11887	0.7
299.09195	1.5
299.12732	1.5
299.99136	0.7
300.99893	2.7
301.10876	0.8
310.08496	0.6
311.09131	1.1
313.10733	1.4
313.14072	0.5
314.07944	2.2
315.08505	0.4
324.09802	0.8
325.10657	1.0
326.07852	0.8
326.11349	0.8
327.08795	0.6
327.12326	4.1
328.09503	0.6
328.13113	7.9
329.10254	5.4
329.13773	0.7
330.10751	1.0
332.82272	0.5
341.10263	7.3
341.14178	0.7
342.10532	1.0
343.15414	1.3
344.12546	6.2
345.13126	1.8
355.11853	0.4
356.12646	2.4
357.13284	0.8
359.14984	23.7
360.15213	3.2
371.14969	16.6
372.15366	2.1
384.56509	0.5
414.84970	0.5
433.04028	1.0
461.15927	1.5
462.16589	0.5
463.17346	1.2
492.17828	1.3
507.13422	0.6
507.20248	8.8
508.20416	1.2
519.20142	1.4
522.18726	0.7
537.21265	49.9
538.21594	9.5
585.13971	1.8
585.23285	3.6
586.14404	0.6
586.23590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01852	1.1
51.92371	1.2
52.39688	1.3
59.01254	24.6
61.98677	6.1
71.00512	3.3
71.01241	12.0
72.99134	1.4
73.02818	2.0
83.01219	2.5
85.02793	6.7
89.02283	3.8
93.03317	3.6
95.01243	5.1
96.95881	23.3
98.20011	1.5
99.00712	1.6
100.25605	1.2
101.02296	5.1
101.43507	1.3
107.01254	2.8
108.02056	52.2
109.02843	39.5
111.00755	2.2
113.02305	5.0
113.50704	1.4
119.03358	1.8
121.02798	5.0
122.03565	1.8
123.00700	4.9
123.04369	3.0
125.02351	9.3
128.47305	1.3
133.02820	2.6
135.04398	6.3
136.01396	1.3
136.04723	1.4
137.02301	2.6
145.02866	2.9
147.04361	1.4
149.02344	6.9
150.03127	14.5
151.00278	2.3
151.03806	1.9
152.01057	59.2
153.01842	26.2
153.05450	1.8
159.04309	1.3
160.01537	1.3
161.02266	5.6
161.04472	2.0
163.03876	4.3
164.04729	1.9
165.01823	2.9
165.05489	15.8
169.01349	10.0
175.03891	2.6
177.01772	2.2
179.03313	4.4
181.08562	1.6
185.02335	1.8
190.02582	2.2
191.03345	2.3
195.06560	9.7
201.01965	3.3
203.03316	1.9
205.04926	2.1
222.00467	1.2
227.12781	3.8
229.01306	8.2
231.02885	1.3
243.02878	1.7
245.00899	2.2
251.05566	1.5
254.23019	1.5
255.02731	2.3
257.00882	4.0
258.01437	1.6
271.02344	3.7
275.01978	13.7
283.99628	2.0
299.98965	14.9
300.02585	7.0
300.99924	90.0
301.03305	7.8
302.00391	8.8
302.03336	2.7
315.07339	7.5
324.02429	1.8
325.03394	2.8
329.10144	3.5
341.08865	2.4
343.11694	3.0
357.08417	6.8
379.15656	1.8
389.16061	10.1
433.03427	14.4
434.04132	2.3
487.08362	3.6
525.19147	1.7
537.21228	7.4
541.22534	4.3
567.20679	2.9
568.22363	1.5
585.07904	15.3
585.21674	100.0
586.05927	2.8
586.21997	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	585.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03323	1.3
59.01247	2.4
61.98708	3.9
67.01765	1.0
68.99693	0.6
69.03329	1.2
71.01252	5.7
72.99176	0.8
73.02825	0.6
79.01761	0.7
79.98957	0.3
81.03333	2.2
83.01254	1.8
85.02827	1.4
87.00777	0.8
89.02319	1.1
95.01264	2.2
96.95890	1.1
97.02818	2.1
97.12930	0.3
99.00782	0.5
101.02325	2.9
102.95872	0.4
107.01268	10.3
109.02847	0.8
111.00754	1.7
113.02329	1.9
113.94813	0.3
121.02847	1.5
122.03629	1.6
123.00770	9.6
123.04395	1.0
124.01556	14.7
125.02335	64.3
126.02666	2.9
127.00291	0.6
136.98714	1.3
137.02348	1.6
138.03064	0.4
139.00288	3.2
139.03914	8.0
140.01067	2.3
140.04309	0.3
141.01826	1.3
145.02795	0.5
149.02353	1.2
149.99446	0.7
150.03168	0.4
151.00258	6.9
151.03905	1.1
152.01056	38.9
153.01527	1.6
153.05560	0.6
156.05724	0.4
161.02292	0.4
161.04457	0.5
163.03918	0.4
165.01860	3.8
166.02631	0.6
166.99849	0.7
167.03421	1.0
168.00543	3.2
169.01335	64.0
170.01682	3.1
171.08070	1.2
173.04584	0.5
173.05975	1.7
174.03064	0.7
175.03894	1.9
177.01799	0.3
179.03392	0.7
182.01967	0.4
183.02905	5.2
184.03084	0.4
195.08142	0.8
205.04930	0.4
210.01535	0.6
211.02399	2.5
213.09163	10.3
214.09421	0.6
218.84343	0.4
225.03915	2.1
231.14001	0.6
239.07161	1.3
241.03494	1.0
253.03519	0.6
253.08742	0.5
256.07370	5.4
257.08167	33.6
258.08563	2.6
269.08188	0.6
271.09732	37.9
272.10110	3.9
281.08163	5.2
282.08804	0.5
285.06088	1.9
299.09222	1.9
299.99075	1.1
300.99905	4.9
302.00269	0.5
312.04922	0.5
313.05637	53.3
314.05997	3.4
323.09103	0.7
327.07178	3.9
433.04160	1.0
453.10379	2.9
585.16095	100.0
586.16425	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	585.0882
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
51.27946	0.3
56.48722	0.3
56.58815	0.3
57.03321	0.5
59.01244	8.7
60.99174	0.7
61.98700	5.8
63.02272	2.4
65.00188	5.4
67.01744	0.5
71.01245	4.4
71.51536	0.6
72.99175	0.8
73.02811	1.3
74.98959	0.5
75.00761	0.4
75.56802	0.3
78.42225	0.3
81.03340	0.4
83.01250	4.6
85.02810	1.3
87.00728	0.6
87.04398	0.8
88.98679	6.1
89.02311	3.0
93.03314	2.1
95.01250	0.8
95.04872	0.7
96.04420	0.4
96.95882	4.5
97.02891	0.4
101.02322	2.5
107.01263	11.3
107.04885	0.6
108.02101	0.5
108.99124	0.4
109.02258	0.4
109.02848	4.3
111.00735	0.9
113.02317	1.4
119.01258	0.6
119.03364	1.3
119.04901	0.4
121.02838	10.1
122.05967	0.4
123.00742	1.0
123.04404	1.5
125.02340	5.6
126.02702	0.4
133.02855	0.9
134.03635	0.3
135.00816	0.5
135.02853	0.4
135.04395	4.8
136.01524	0.6
137.02335	2.5
138.03119	0.3
139.00192	0.4
139.03915	1.0
145.02823	0.6
146.03511	0.4
147.00735	0.7
147.04472	0.8
148.01523	0.5
149.02325	2.7
150.03140	2.2
151.00266	38.8
152.00748	1.1
152.07014	0.9
153.01805	0.8
153.05460	0.6
155.10651	0.4
159.04433	0.7
161.02382	1.9
161.04468	0.4
163.00250	2.9
163.03831	0.9
164.01024	1.4
164.04697	0.8
165.01837	11.9
165.05460	1.9
166.02151	0.4
166.05849	0.4
168.00612	0.3
169.01331	6.4
170.01668	0.5
173.04366	0.4
173.05832	0.6
175.00275	0.8
175.03883	1.1
177.01770	0.7
177.05429	0.5
178.99779	16.6
179.03383	6.2
179.05066	0.4
179.05621	0.5
179.06998	0.8
180.00137	0.7
180.04199	6.7
181.04935	0.8
181.08585	0.6
183.04427	0.6
183.10168	0.4
185.02425	0.5
186.11839	0.4
187.03842	0.8
189.01796	0.4
190.02682	1.9
190.99690	0.5
191.03265	0.4
192.00478	0.4
193.01324	1.2
193.05008	0.4
194.05786	0.9
195.06529	9.0
196.06873	0.9
199.03889	0.5
201.01840	0.7
201.05490	1.2
203.03436	0.8
205.05013	2.5
210.05232	1.1
211.03972	1.4
213.01958	0.5
215.03468	0.4
217.05008	0.4
223.06085	0.8
225.07649	5.9
225.14879	0.7
227.03398	1.4
227.12772	1.7
228.03941	0.5
229.01282	1.0
229.04933	1.6
239.03383	0.9
240.04247	0.6
243.03026	0.4
245.04530	3.1
255.02971	2.9
256.03555	0.7
257.00784	0.7
257.04413	0.5
265.06931	0.5
266.02066	0.4
269.08127	0.6
271.02402	1.3
271.99698	0.5
273.04019	2.5
275.01868	1.7
283.02313	1.1
283.04935	0.7
283.99554	0.8
287.14981	0.8
289.07211	0.4
297.10471	0.6
299.09186	0.6
299.99057	4.9
300.02689	1.6
300.99866	22.5
301.03488	100.0
302.00223	2.2
302.03812	8.8
311.09103	0.7
314.11493	0.9
315.10675	2.0
327.12070	0.4
329.13770	1.7
341.13785	1.2
357.12070	0.7
433.03943	5.2
434.04364	0.6
435.40430	0.4
436.35791	0.4
463.17484	0.6
492.17941	0.4
507.21066	2.1
508.19046	0.4
522.19757	0.6
537.21259	11.6
538.21741	1.2
541.24414	1.2
547.18176	2.4
555.22308	0.4
567.24011	1.0
584.23865	0.5
585.08490	6.4
585.25092	10.4
586.09009	1.3
586.25250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62422	0.6
59.01249	26.1
60.01588	1.3
60.99168	2.9
61.98701	52.9
63.02267	3.6
65.00186	5.5
69.03317	0.9
69.18427	2.0
69.18832	5.7
71.01252	12.2
72.01580	1.3
72.64606	0.7
72.99175	1.6
73.02819	2.7
75.00755	1.2
79.95595	1.2
83.01270	4.7
85.02825	4.3
87.00765	1.3
87.04388	2.2
88.52360	0.8
88.98677	22.4
89.02316	11.3
90.02654	1.2
93.03325	3.6
95.01269	2.0
95.04903	11.5
96.05244	2.5
96.95874	8.4
98.19853	1.7
99.00738	0.7
99.04428	0.8
101.02307	7.3
103.03856	0.8
107.01268	10.0
107.04917	2.0
108.02084	1.4
109.02836	6.6
111.00783	1.1
113.02344	4.8
114.02677	1.0
119.01290	1.4
119.03362	4.2
121.02839	11.5
122.03625	1.7
123.00774	2.4
123.04419	2.8
125.02325	9.5
133.02832	4.6
135.00830	1.0
135.02867	1.2
135.04420	8.1
136.01579	1.2
137.02367	6.5
139.00247	1.4
139.07597	0.8
143.03310	0.8
145.02847	1.8
147.04451	0.9
148.01515	0.9
149.02338	4.9
150.03143	4.7
151.00278	39.4
151.03952	3.4
152.01024	1.5
153.01842	1.5
153.05521	0.8
155.10683	1.5
159.04410	1.6
160.01604	0.8
161.02357	18.2
161.04448	1.2
161.05925	0.9
162.02815	0.8
163.00272	3.0
163.03886	2.3
164.01038	1.9
164.04672	2.4
165.01848	21.2
165.05484	4.7
166.02240	0.7
167.03386	1.0
169.01338	9.5
170.01653	1.4
173.02370	1.1
174.03178	1.3
175.00278	1.5
175.03903	2.1
177.01817	1.0
177.05560	0.9
178.99800	18.4
179.03409	11.5
179.05473	2.0
180.04210	12.9
181.04973	1.7
181.08636	15.9
182.08969	7.8
183.09052	2.0
185.02386	1.4
187.03964	1.3
189.01868	1.0
190.02802	3.6
191.05424	1.3
193.01326	1.0
193.05130	1.2
194.05774	2.1
195.02867	1.0
195.06561	18.5
196.06862	0.9
199.09674	1.0
199.80711	0.8
201.01833	1.3
201.05455	1.8
203.03435	2.5
205.04985	5.1
206.05589	0.8
207.02870	1.1
209.11833	1.0
210.05275	3.2
211.03969	1.8
223.06075	2.0
225.07608	11.2
225.14908	1.0
227.03413	1.7
227.12776	2.8
229.01340	2.8
229.05054	1.7
239.03348	0.9
243.02892	1.3
245.00749	1.1
245.04495	3.0
255.02924	3.0
257.00897	2.6
257.04633	0.8
265.07123	0.8
268.95654	0.7
269.04480	0.7
269.08105	0.8
269.14105	0.8
271.02399	0.9
271.05295	1.0
272.02841	0.7
273.04004	2.5
275.01987	7.1
283.02164	0.8
283.09705	1.1
283.99652	1.7
287.14957	4.5
299.02048	0.7
299.09314	0.9
299.99103	11.9
300.02402	0.8
300.10062	1.1
300.99869	60.7
301.03522	100.0
302.00266	5.9
302.03854	9.2
315.10703	1.2
324.95276	0.8
329.13809	5.4
341.12943	1.3
342.12589	1.1
371.11118	0.8
415.03308	1.5
433.03928	11.2
434.04376	1.5
449.20123	1.4
461.15866	1.1
507.20135	2.6
522.19409	1.1
537.21222	27.9
538.21802	3.6
547.18073	2.0
549.23547	10.3
550.23407	1.2
567.23914	1.1
584.24194	2.1
585.08630	11.2
585.24719	12.5
586.07953	1.7
586.24744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.5
61.98705	0.6
67.01749	0.6
69.38815	3.4
85.02803	0.4
96.95861	0.6
107.01268	1.0
110.75115	0.4
125.02329	4.0
145.02800	0.4
151.00255	0.7
162.98125	0.4
169.01393	2.7
172.01584	0.9
179.03503	0.5
185.02400	1.2
200.01102	1.0
201.01862	1.0
216.00613	0.6
228.00635	1.1
229.01414	2.5
230.01649	0.4
244.00093	1.6
245.00726	0.9
257.00912	1.5
270.98840	0.6
271.99554	2.0
282.98837	1.9
283.04684	0.7
283.99670	1.6
298.98419	0.7
299.99100	30.0
300.99875	100.0
302.00171	8.4
340.04611	0.5
433.04092	59.8
434.04413	7.3
585.05212	14.7
585.12238	0.4
585.25293	0.9
586.05737	2.8
612.21368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10721	0.1
53.27190	0.1
58.73665	0.1
59.01252	0.7
61.98692	1.0
63.65681	0.1
69.03306	0.2
71.01248	0.4
71.51393	0.2
72.99169	0.2
73.02816	0.2
77.64986	0.1
80.91544	0.5
81.03341	0.1
85.02830	0.4
89.02295	0.2
93.03323	0.2
95.01300	0.2
96.95884	0.2
97.02794	0.2
98.67776	0.1
101.02287	0.2
107.01273	2.0
109.02821	0.3
111.00729	0.3
113.02327	0.2
117.03344	0.2
119.04940	0.1
121.02808	0.1
123.00761	0.6
123.04370	0.2
124.01580	0.1
125.02335	9.2
126.02689	0.3
132.02089	0.2
133.02867	0.3
135.02904	0.2
135.04398	0.4
137.02368	0.4
139.00269	0.3
140.01021	0.2
143.38255	0.1
145.02850	0.5
147.04434	0.3
149.02356	0.4
149.05760	0.2
151.00249	0.8
151.03932	0.2
152.01006	0.2
152.09674	0.2
157.02849	0.4
160.01547	0.2
161.02356	0.7
163.03871	0.4
164.04610	0.1
165.01830	0.5
167.03336	0.2
168.00533	0.2
169.01338	7.1
170.01680	0.3
172.01579	0.5
173.02327	0.8
177.01866	0.2
179.03377	0.3
180.04175	0.2
185.02359	1.9
188.01169	0.3
189.01831	0.3
190.02617	0.2
191.05510	0.2
195.02904	0.5
195.06505	0.5
200.01125	0.7
201.01874	1.6
205.05028	0.2
213.01859	0.2
216.00577	0.9
217.01376	0.3
225.07669	0.3
226.99760	0.5
228.00606	0.7
229.01375	3.3
230.01498	0.2
242.99326	0.4
244.00102	1.2
245.00827	1.2
254.99243	0.2
257.00891	1.5
258.01227	0.2
270.98874	0.6
271.99554	0.7
273.00348	0.4
282.98810	0.5
283.04587	2.5
283.99646	2.3
284.04626	0.2
285.00122	0.2
298.98529	0.7
299.99103	18.1
300.99866	100.0
302.00229	8.2
415.03003	4.6
416.03241	0.4
433.04092	10.7
434.04486	1.0
434.09454	0.2
537.20953	0.2
585.05176	24.6
586.05499	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	583.2604
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
53.83564	0.4
55.01786	0.4
56.91130	0.4
57.03339	0.9
59.01250	53.4
69.03284	0.4
71.01252	16.7
71.48101	0.4
71.50630	0.6
72.01607	0.4
72.99186	0.7
73.02817	11.5
75.00789	0.3
83.01262	3.3
85.02820	4.2
85.03217	0.4
87.00778	0.8
87.04409	0.4
89.02319	12.8
95.01270	1.0
97.02818	0.8
97.20671	0.4
99.00774	1.4
99.04420	1.2
101.02322	13.6
103.03927	0.5
111.60630	0.4
113.02331	7.2
115.03970	0.8
118.21358	0.4
119.03397	4.8
125.02342	1.3
125.74130	0.4
131.03474	0.7
133.04976	3.4
137.99625	0.5
143.03464	1.0
149.04422	0.9
151.06021	8.6
156.47969	0.4
161.04475	1.8
165.12788	1.0
169.01228	0.4
175.06055	2.7
179.05554	1.8
205.07176	0.9
207.13734	0.9
209.11755	3.2
225.14888	4.6
227.12836	20.6
228.13245	1.0
233.11832	1.0
251.12906	1.0
269.13965	1.7
286.85196	0.4
287.14917	2.3
295.10349	5.9
296.10727	0.6
313.11331	4.1
347.75879	0.4
355.12408	2.3
421.17587	0.5
565.25024	5.4
566.25732	0.6
583.26062	100.0
584.26385	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	583.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79729	1.5
64.32493	1.5
70.83366	3.2
70.83700	3.5
71.01269	7.7
73.02795	1.7
78.98456	8.6
79.95598	12.5
80.96388	79.2
85.02793	4.4
87.00753	3.8
94.97957	22.2
101.02309	3.3
106.97989	2.7
112.03495	1.5
122.97446	5.7
125.02330	3.5
128.60887	1.7
134.97435	4.5
148.99022	8.3
152.98529	6.5
164.98558	14.1
184.24335	1.5
215.28008	1.5
225.00676	21.8
237.54135	1.6
299.04498	4.6
325.01486	1.7
350.87833	1.8
472.08289	1.9
583.31506	100.0
584.31897	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	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62516	0.1
59.01252	0.9
59.15298	0.1
61.11196	0.1
61.98700	100.0
71.01261	0.4
71.51553	0.1
71.51910	0.2
73.02830	0.2
78.91763	0.2
79.95607	0.9
80.91574	0.1
83.01237	0.2
85.02837	0.2
87.00762	0.2
89.02305	0.1
93.03339	0.2
96.95895	0.8
99.00763	0.2
101.02330	0.5
108.02027	0.2
109.02811	0.3
113.02313	0.3
121.02851	0.2
123.00739	0.2
123.04443	0.4
125.02312	0.9
135.02930	0.1
135.04442	0.2
137.02367	0.2
150.03142	0.1
151.00304	0.3
151.03955	0.2
153.01845	0.3
153.05518	0.4
153.09062	0.2
159.04405	0.2
161.02412	0.2
165.05544	0.2
166.05807	0.2
169.01318	0.8
170.01707	0.3
174.03168	0.3
175.03914	3.3
176.04295	0.2
179.03554	0.2
181.08672	0.1
225.11385	0.1
242.55862	0.1
299.98981	0.3
300.99890	1.5
301.03052	0.2
330.11215	0.2
345.13565	0.5
357.13766	0.2
359.15048	0.1
433.04358	0.2
452.53934	0.1
499.55222	0.2
521.20947	0.2
555.22534	0.1
584.24194	0.7
585.05469	0.4
585.14502	0.5
585.22754	0.2
608.75525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39567	3.4
59.01233	4.2
61.98697	11.0
78.95777	3.7
81.65570	3.0
82.35515	3.0
83.02174	3.1
84.09425	3.2
95.01273	8.5
108.02070	5.1
109.02812	9.2
116.20513	3.3
117.11444	4.3
137.02309	5.6
138.03130	100.0
153.05479	97.4
165.06981	3.7
195.08066	4.1
293.09595	4.9
307.11377	6.7
309.09268	4.4
321.09210	14.9
322.09732	11.9
337.08749	28.1
338.09119	4.8
381.07504	8.8
383.12833	5.1
385.14288	8.2
398.09396	41.2
399.09677	6.5
411.12460	69.5
412.12424	12.0
427.09497	10.0
441.11313	77.9
442.11716	14.5
456.13754	33.4
471.15900	10.6
473.13956	50.9
474.14322	7.8
485.32745	4.3
488.16251	48.2
489.16660	10.4
503.18536	12.0
515.14899	5.5
519.18408	5.5
529.48651	4.0
547.17511	9.3
565.17981	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	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57193	0.2
57.03319	0.5
59.01250	5.2
61.98702	33.6
62.98413	0.3
63.99126	0.4
66.39108	0.2
71.01254	2.2
73.02815	0.6
75.00767	0.5
78.86333	0.2
78.95775	0.3
79.47044	0.2
83.01261	0.4
83.04890	0.3
85.02831	0.9
87.00755	0.7
89.02314	0.7
93.03349	0.5
95.01251	0.3
95.04916	0.3
96.95867	0.4
97.02824	0.4
97.81925	0.2
98.19750	0.5
99.00796	0.2
99.04485	0.2
101.02315	1.3
101.28992	0.2
107.04894	0.4
108.02098	0.2
108.21467	0.2
109.02842	0.9
111.04410	0.4
113.02332	0.7
119.03394	0.3
121.06492	0.2
122.03632	0.3
123.00796	0.2
123.04443	0.7
125.02330	0.7
125.05962	1.4
129.03355	0.2
130.04126	0.2
131.03418	0.2
131.04918	3.6
132.05290	0.3
133.02808	0.4
135.02882	0.7
135.04416	0.9
136.05171	0.5
136.13693	0.2
137.02364	0.3
139.03932	0.3
139.07541	0.6
139.11166	0.3
141.26498	0.2
145.02850	0.6
145.06549	0.3
147.04436	0.9
148.05194	0.2
149.02325	0.3
149.05901	0.3
151.03940	0.5
151.07564	1.1
153.01740	0.2
153.05542	0.4
153.09129	0.3
157.02820	0.3
158.03668	0.4
159.04446	1.0
161.02359	0.4
161.04465	0.7
161.09615	0.4
163.07498	0.3
165.01845	0.6
165.09169	0.4
167.03365	0.2
169.01413	0.5
173.02348	4.0
173.04549	0.2
173.05911	0.2
174.01540	0.5
174.03140	30.5
175.03918	100.0
176.04265	5.3
177.01939	0.3
179.03374	0.2
183.04509	0.3
183.10179	2.3
185.06042	0.2
187.03951	3.8
187.07605	0.3
187.11307	0.2
189.05478	1.2
189.09172	0.3
191.03372	0.2
199.03938	1.2
200.04736	2.0
201.05434	1.0
201.12782	1.8
202.13055	0.3
203.10669	0.8
204.11464	1.5
209.06168	0.2
209.11783	0.5
209.15417	0.3
211.03964	0.3
217.05002	12.2
218.05386	0.7
219.13838	2.1
221.76897	0.2
227.16519	0.7
228.11589	0.7
229.05009	6.0
230.05498	0.4
230.09457	0.3
243.13875	1.4
245.11790	2.5
247.06104	0.3
263.12863	5.0
264.13245	0.5
269.08301	0.3
269.17651	0.2
271.02429	0.4
272.10553	0.3
277.14404	0.3
280.29572	0.2
287.12863	2.9
288.13129	0.2
300.02979	0.3
300.99918	0.3
301.03430	0.3
305.13962	4.2
306.14291	0.4
319.08450	0.3
323.02173	0.3
324.02615	0.5
346.04865	0.2
349.03641	0.3
357.15546	0.3
358.85901	0.2
377.02640	0.4
420.08585	0.8
421.08875	1.3
437.05023	0.3
447.77759	0.2
583.13647	0.8
583.22363	1.4
583.29907	0.8
584.22327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1092
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
57.98269	0.3
59.01254	2.0
61.98378	0.4
61.98699	5.7
63.02245	0.7
65.00188	2.0
68.99690	2.3
69.25653	1.1
69.26072	2.3
71.01253	0.8
83.01251	1.1
89.02318	0.6
93.02772	0.6
93.03333	10.0
96.95901	0.5
98.20520	0.7
101.02296	0.4
107.01258	3.4
107.61587	0.4
108.01395	0.4
108.02060	5.4
109.02857	2.7
111.00787	0.4
121.02839	2.8
122.03600	0.6
123.00781	2.1
123.04442	3.0
124.01493	0.7
125.02374	2.2
133.02905	0.5
135.00708	0.9
135.04425	0.5
136.01398	0.3
137.02341	16.6
138.03160	3.5
139.00285	0.6
143.90195	0.3
145.02875	0.5
148.01535	2.4
149.02303	1.2
149.99522	0.4
150.03127	2.0
151.00264	14.4
152.00902	0.4
153.01921	0.4
154.02600	0.5
159.04398	1.0
160.01541	0.4
161.02390	2.1
162.03111	3.6
163.00249	2.8
163.03949	1.3
164.01039	1.1
165.05424	0.5
168.00583	0.5
169.01373	2.1
169.04881	0.5
171.04349	0.6
175.03909	0.8
177.05498	4.3
178.02635	4.1
178.99765	5.5
179.03348	1.1
183.04449	0.6
187.03868	0.7
190.02527	0.5
190.99734	0.5
191.05432	0.4
192.00592	0.6
193.04994	10.4
194.05557	0.8
198.03108	0.4
199.03926	1.4
200.04706	0.4
201.02077	0.4
201.05681	0.4
203.03368	0.6
205.04971	0.4
209.08159	0.4
211.03947	1.2
213.01802	0.4
213.05394	0.5
215.03496	1.0
216.04221	0.9
221.73543	0.4
223.47409	0.3
226.02637	1.6
227.03426	4.9
228.03984	0.6
229.01372	0.5
229.04996	0.8
239.03337	0.3
243.02954	12.6
244.03506	1.6
245.04517	1.1
254.02151	2.6
255.02953	30.1
256.03333	2.2
271.02466	62.8
272.02887	7.4
273.04037	1.5
283.02414	2.2
284.03152	0.7
299.01950	7.2
300.02725	100.0
301.03439	47.0
302.03857	4.2
307.18726	0.4
329.10294	0.5
341.10287	1.3
344.12634	1.2
347.05597	1.0
359.15067	1.4
365.06604	0.5
371.14972	0.9
420.08185	0.4
445.01480	0.8
445.07742	15.0
446.08063	2.1
463.08817	23.7
464.09201	3.5
583.10974	45.1
583.21851	4.3
584.11346	8.9
584.21863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
61.98703	7.4
63.02249	0.7
65.00188	1.7
68.99686	1.0
71.01255	1.6
71.51805	0.5
73.02805	0.3
79.04101	0.3
83.01241	1.6
85.02814	0.5
87.00752	0.3
89.02310	0.6
91.51463	0.3
93.03336	8.7
95.01282	0.6
95.39639	0.4
96.95885	0.5
101.02312	0.7
107.01283	3.9
108.02064	2.9
109.02821	1.6
113.02357	0.7
119.03432	0.3
119.09444	0.3
120.02081	0.4
121.02865	3.0
123.00753	0.8
123.04391	1.8
124.01529	0.6
125.02354	1.8
128.76035	0.3
130.64272	0.3
135.00764	1.1
135.02843	0.6
135.04431	0.5
137.02344	15.7
138.03163	1.5
139.00266	0.5
145.02829	0.4
148.01593	2.2
149.02367	0.6
149.99480	0.4
150.03113	0.9
151.00276	13.7
151.03880	0.7
152.00891	0.4
153.01852	0.6
159.04417	0.9
160.01518	0.3
161.02356	1.5
162.03094	1.1
163.00287	2.5
163.03868	1.0
164.00999	1.3
165.01831	0.3
167.03386	0.5
168.00540	0.6
169.01341	2.2
169.04883	0.4
174.03160	0.3
175.03888	1.3
176.04565	0.3
177.01958	0.3
177.05502	2.0
178.02657	1.7
178.99770	6.2
179.03331	0.9
182.96423	0.3
183.04402	0.7
187.03951	1.1
188.04611	0.3
189.01805	0.4
190.99800	0.4
191.05498	0.4
192.00572	0.6
193.01225	0.3
193.05017	3.5
194.05835	0.4
195.06380	0.3
197.11836	0.7
199.03925	1.3
200.04460	0.5
201.01924	0.5
201.05424	0.7
202.75006	0.3
203.03394	0.5
205.05013	0.7
209.08044	0.3
209.11655	0.3
211.03979	1.6
213.01910	0.5
214.02617	0.4
215.03522	0.9
216.04277	0.9
226.02614	1.7
227.03467	3.8
229.01407	0.6
229.04967	0.9
239.03505	0.6
243.02956	12.2
244.03218	1.5
245.04495	1.2
254.02222	2.5
255.02969	29.6
256.03400	2.8
271.02472	63.7
272.02951	7.0
273.03906	1.5
283.02484	1.7
284.03137	0.3
299.01993	6.2
300.02737	100.0
301.03448	46.7
302.03888	3.4
305.05402	0.3
341.10272	0.4
343.04346	0.4
347.05563	1.1
349.03632	0.9
350.03796	0.3
373.03641	0.4
445.01514	0.7
445.07739	14.1
446.07742	1.6
463.08832	23.3
464.09018	3.3
583.10962	43.2
583.22394	3.0
584.11316	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	582.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
61.98701	100.0
71.49582	0.7
80.96385	2.2
94.98036	0.5
143.91975	0.4
160.04204	0.4
191.75624	0.4
194.88263	0.4
216.40144	0.4
582.30341	2.3
583.31134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75673	0.5
56.62419	0.5
59.01239	0.5
61.98705	5.6
63.02255	0.6
65.00198	0.9
65.65983	0.5
69.63046	2.7
83.01260	0.9
87.03440	0.5
93.03315	0.8
107.01266	2.4
108.02058	2.3
109.02843	1.2
118.04460	0.6
121.02831	1.3
125.02316	0.8
135.00768	0.8
137.02382	0.6
148.01555	1.1
151.00267	10.2
151.01390	1.0
153.01820	0.7
163.00272	2.4
164.01030	1.3
165.01875	0.7
178.99794	4.6
190.99751	1.2
205.05345	0.6
211.03864	0.9
215.03317	1.0
216.04297	0.6
222.24702	0.5
226.02681	1.3
227.03456	3.3
228.04030	0.6
243.02930	11.0
244.03453	0.9
245.04535	0.7
254.02153	1.6
255.02965	25.0
256.03384	1.9
271.02460	56.4
272.02936	7.0
273.03787	1.1
283.02551	0.9
292.36176	0.6
299.01938	1.8
300.02728	100.0
301.03421	34.5
302.03729	2.5
335.33493	0.7
445.07870	0.9
463.08737	21.9
464.09033	3.1
583.10901	66.8
584.11292	12.7
584.20166	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	582.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26119	0.1
57.03333	0.2
59.01252	2.2
61.98702	100.0
62.98410	0.1
69.89771	0.1
71.01252	1.0
71.51830	0.2
73.02821	0.2
75.00746	0.4
83.01266	0.3
85.02834	0.4
85.85473	0.1
86.13689	0.1
87.00783	0.2
87.04394	0.1
89.02332	0.3
89.20576	0.1
93.03359	0.4
96.95893	0.5
99.04416	0.2
101.02341	0.4
107.01250	0.1
107.04935	0.1
108.02077	0.2
109.02856	0.2
113.02290	0.2
123.00819	0.1
123.04433	0.6
125.02311	0.8
132.02072	0.5
133.02916	0.3
134.03647	0.6
135.02899	0.2
135.04434	0.4
137.02306	0.3
139.11247	0.4
143.69902	0.1
144.57169	0.1
145.02902	0.1
149.02324	0.2
149.06078	0.1
150.03152	0.6
151.00291	0.2
151.03900	0.2
160.01559	3.0
161.02351	0.5
161.04477	0.2
165.05513	0.6
167.03401	0.7
168.03795	0.2
169.01314	0.4
173.04472	0.2
174.03140	0.2
175.03920	4.6
177.05505	0.2
179.03378	0.2
183.10176	0.5
187.04022	0.1
190.02640	0.3
191.05524	0.2
191.63348	0.1
193.04999	0.7
195.06570	0.3
198.27789	0.1
205.05040	0.2
209.11798	0.3
211.07550	0.2
225.11337	0.2
227.16391	0.2
272.06818	0.2
274.08047	0.2
299.09113	0.2
299.99252	0.1
300.02737	0.3
300.99792	0.3
315.25775	0.2
316.25861	0.2
327.09012	0.2
334.05081	0.2
335.05560	0.4
341.07361	0.1
357.09930	0.2
379.22830	0.1
385.13040	0.2
387.14511	0.4
401.12097	0.1
409.05917	0.2
419.57446	0.1
420.08115	0.2
421.09064	0.2
427.92908	0.1
452.40448	0.1
486.07913	0.2
536.02032	0.2
547.25500	5.3
564.24213	0.1
582.28876	0.2
583.11243	0.2
583.27692	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10710	2.6
57.03304	5.2
58.00456	4.0
58.99475	22.4
59.01251	63.2
61.98698	20.7
64.36353	2.9
69.26118	24.9
71.01257	44.2
72.99185	9.8
73.02826	4.9
74.98948	5.1
75.00750	5.9
83.01262	6.4
85.02832	9.2
87.00759	4.8
89.02318	40.8
90.67982	3.4
93.03357	4.3
95.01231	6.0
96.95867	14.6
98.20561	5.6
101.02313	17.4
102.98471	100.0
108.02059	16.6
109.02837	12.4
111.00845	2.6
113.02342	16.4
116.92745	2.8
119.03389	17.1
120.99564	7.1
121.02872	5.0
123.04398	6.7
125.02361	16.2
131.03394	4.2
132.02039	4.2
133.02638	3.1
134.03632	17.7
135.02869	3.4
135.04465	7.5
135.09402	3.5
136.01538	7.1
137.02315	9.7
143.03426	3.8
145.02812	3.0
147.99651	3.0
149.02400	6.8
149.05931	4.1
149.09593	4.9
150.03098	7.9
151.00270	7.4
151.03883	10.3
152.01056	15.0
153.01826	8.2
153.05444	3.0
160.01558	19.2
161.02322	5.9
161.04500	6.7
163.00504	6.6
163.03883	4.2
165.01875	6.0
165.05467	7.8
167.03406	4.1
169.01285	12.0
175.03914	21.6
176.04707	6.9
177.01799	7.2
178.02541	3.2
179.05482	9.7
179.06940	3.4
189.01828	4.4
190.02831	4.2
191.03340	6.7
191.05449	5.1
191.07042	4.6
193.05017	19.2
197.91240	2.8
198.05348	5.5
205.05035	7.4
211.04280	5.0
211.06044	19.1
223.06209	4.2
235.06117	9.4
265.07162	4.2
283.09766	12.8
285.04086	3.3
300.99805	5.2
311.09192	29.9
312.09698	3.6
315.07220	8.6
325.10953	4.1
326.11694	14.8
334.24234	3.2
341.13925	23.6
429.08322	30.4
430.08148	4.5
521.12872	5.4
532.37115	3.3
557.86658	3.1
581.17310	4.2
581.26630	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	581.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75903	1.4
55.01731	2.1
55.17595	1.5
57.03314	1.8
58.00455	6.0
59.01248	100.0
61.98698	24.8
67.79554	1.4
71.01250	64.1
71.50564	1.6
72.01568	1.6
72.99169	5.9
73.02818	3.6
75.00736	3.2
75.92670	1.3
83.01247	3.3
85.02824	11.6
87.00745	3.9
89.02314	81.0
95.01258	6.0
96.95879	2.6
101.02319	33.4
102.98425	2.2
108.02084	1.6
109.02822	3.3
113.02335	25.0
117.03429	1.9
119.01266	4.7
119.03384	33.7
119.04826	2.4
120.03552	1.4
121.02837	5.7
123.00731	2.1
123.04384	3.6
124.01517	1.8
125.02333	4.5
131.03380	4.4
134.03613	3.2
135.02885	3.7
135.04404	3.3
136.01550	1.8
136.99046	1.8
137.02348	3.4
137.99493	1.7
138.03098	2.3
139.00294	2.3
139.03935	1.8
143.03372	6.1
145.02856	3.6
147.00751	3.5
149.02339	20.8
149.04471	3.2
149.06024	1.4
150.03136	20.4
151.03848	4.8
152.01086	1.8
153.05484	1.4
160.01537	5.1
161.02303	4.6
161.04437	4.6
162.03114	4.3
163.03906	3.3
164.04700	14.0
165.01855	2.2
165.05515	12.0
167.03360	1.9
169.01219	2.1
173.04411	1.8
175.00291	22.5
175.03912	14.2
176.00925	2.6
177.05507	2.8
179.03491	2.1
179.05496	13.0
179.06987	3.3
180.04166	2.9
181.04959	1.6
187.03922	6.4
188.04678	3.2
189.05496	3.2
190.02625	63.4
190.06223	2.3
191.03307	7.1
191.07001	1.9
193.01395	2.0
193.05026	4.3
195.06534	13.6
203.07101	1.7
205.04997	64.0
206.05501	5.0
208.03639	1.9
209.04491	2.0
210.60863	1.7
220.07321	5.7
221.08025	2.0
223.05998	9.8
227.12794	2.0
235.09676	4.5
265.07080	3.5
286.34146	1.7
287.14990	2.3
337.09204	2.9
341.10168	4.8
353.08752	3.0
356.12650	3.3
357.13364	2.2
358.13522	2.1
359.14014	2.0
364.70248	1.9
367.10352	31.3
371.14917	2.5
389.15918	2.3
401.16037	38.3
402.16223	4.3
521.19824	3.7
533.16608	46.8
534.17175	8.1
551.55206	1.8
563.17566	4.5
581.18231	2.4
581.23615	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13382	0.5
59.01249	100.0
59.12607	0.5
60.01585	0.8
69.35567	2.9
69.35977	1.3
71.01274	1.7
73.02831	1.0
89.02323	0.6
92.37254	0.5
96.95898	0.7
101.02339	1.2
116.92747	2.2
119.01237	0.9
121.02868	1.6
132.99649	0.5
135.02876	1.1
135.04422	0.6
145.02882	1.7
147.04433	1.3
149.02303	2.7
152.01137	0.7
160.01575	0.8
161.02390	2.0
161.04449	0.8
162.03139	2.5
163.03990	1.2
164.04756	1.9
165.05397	0.6
175.00325	1.9
175.03902	0.7
177.05522	1.2
190.02562	3.7
205.04961	4.2
223.06044	3.2
225.15054	1.0
227.12898	2.2
235.82840	0.5
240.04153	0.6
265.07031	3.1
269.08167	7.9
270.08676	0.7
281.08228	1.3
283.09750	3.4
287.14960	3.9
295.08420	1.0
299.09225	5.7
300.09787	0.7
311.09177	7.2
311.12415	0.7
312.09787	1.0
314.11588	12.8
315.12012	1.1
325.09686	1.3
326.11563	7.5
329.13925	43.3
330.14258	4.4
337.36960	0.6
341.13922	21.5
342.14377	2.3
406.96405	0.5
449.20541	1.4
524.18085	0.6
539.83472	0.6
542.05420	0.5
563.17969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2233
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01754	3.5
57.40229	1.5
58.00462	1.6
59.01248	47.8
70.79218	3.2
70.79576	3.4
71.01245	27.4
72.99181	3.5
73.02818	5.3
75.00735	2.0
83.01266	5.6
85.02810	7.4
85.99958	1.7
87.00765	3.8
89.02318	17.1
95.01246	3.0
96.33192	1.5
99.00777	3.5
101.02323	20.8
103.11402	1.7
113.02322	6.6
115.03898	2.8
119.03410	11.4
123.00764	11.8
124.01553	3.4
125.84157	1.8
135.02872	3.0
138.03108	23.4
139.00351	1.6
139.03918	4.3
143.03371	3.0
153.05479	20.7
154.05846	2.1
165.05553	2.2
175.03964	2.1
186.03246	1.8
187.03952	5.4
189.05495	2.9
202.06331	5.6
203.07069	5.3
221.08179	3.3
233.08147	14.1
247.09668	2.3
309.07275	1.8
313.07068	4.6
325.07043	3.9
327.08624	4.1
329.06662	2.4
340.09308	3.6
340.89835	1.8
341.10254	3.6
344.08786	5.5
355.11942	4.3
358.10614	10.5
359.11160	13.5
367.10187	3.3
371.11310	11.5
373.12967	17.5
374.12930	2.4
386.13785	3.0
389.12497	6.0
390.12921	2.4
401.16235	8.2
404.14755	9.9
405.15573	4.3
414.01590	1.7
419.17133	44.1
420.17355	3.4
566.20044	6.4
581.22412	100.0
582.22675	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45034	1.7
55.01750	2.9
56.74685	1.7
57.03352	2.1
58.00460	6.2
59.01246	100.0
59.20342	1.6
60.74208	1.9
61.98701	21.5
69.33016	15.3
71.01251	60.5
72.99178	4.3
73.02808	3.2
75.00734	3.4
83.01253	3.3
85.02817	9.8
87.00743	6.9
89.02314	85.3
93.03304	2.4
95.01249	3.8
96.95905	1.9
98.19753	3.5
101.02317	40.3
106.35204	1.7
108.02026	2.9
109.02843	3.5
113.02322	28.4
119.01265	6.8
119.02581	3.5
119.03385	45.0
119.04896	2.3
121.02825	7.0
123.04406	4.5
125.02328	2.1
131.03400	5.5
134.03685	3.6
135.02904	3.1
135.04381	3.0
137.02330	6.5
137.99452	2.4
138.03120	2.8
143.03392	5.4
145.02875	3.6
147.00729	3.6
149.02339	24.9
149.04404	4.9
150.03133	24.6
151.03860	5.5
160.01570	5.6
161.02396	4.5
161.04510	6.0
162.03142	5.5
163.03836	5.0
164.04698	23.4
165.01797	3.5
165.05467	22.3
169.01242	2.4
174.03238	2.3
175.00272	28.8
175.03870	11.0
176.00951	4.4
176.04552	2.0
177.01840	2.7
177.05542	5.8
179.03400	4.1
179.05501	15.6
179.07037	4.5
180.04207	3.5
181.04915	2.2
187.03929	5.2
188.04578	2.7
190.02637	83.4
190.04373	4.3
190.06258	3.5
191.03200	8.4
191.05519	2.3
193.04895	3.7
195.06549	12.5
205.04991	85.0
206.05374	6.5
209.04582	2.3
219.06461	1.9
220.07326	5.1
223.06053	23.8
227.12701	2.3
235.09799	4.2
243.87538	2.1
251.05435	2.1
265.07153	5.0
287.14764	2.3
295.08289	1.8
309.03851	2.0
337.09348	4.2
341.10168	6.1
353.08859	2.1
359.14456	3.2
367.10339	43.7
368.10620	3.6
371.15109	3.2
401.16031	53.6
402.16400	7.3
521.20447	5.6
533.16602	79.1
534.16907	13.5
562.17603	1.9
563.17401	6.7
581.16968	10.9
581.26013	3.0
582.19177	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	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67876	0.9
58.00463	3.6
59.01249	15.9
61.98692	2.2
62.26657	1.0
62.47763	1.0
71.01251	4.5
74.98968	1.5
75.00759	4.8
83.01292	1.1
83.02655	1.0
85.02826	1.9
87.00750	3.6
87.22727	1.1
89.02299	1.9
91.01781	1.3
93.03361	1.9
96.95883	1.7
97.31609	1.0
101.02311	1.9
109.51317	1.0
113.02369	2.2
119.01305	5.7
121.02841	4.6
122.03534	1.6
123.04449	0.9
125.02344	1.2
132.02039	2.6
134.03616	3.8
135.02892	10.0
135.04417	3.6
136.01578	1.3
136.99051	1.8
137.02332	2.1
145.02840	3.3
147.00755	3.2
148.89983	1.0
149.02342	24.6
150.03128	36.7
151.03603	1.7
152.01028	1.7
160.01561	10.0
161.02361	4.5
162.03181	5.5
163.03900	3.8
164.04700	22.9
165.01823	2.6
165.05484	21.1
166.05757	1.1
169.93060	1.1
175.00284	29.0
175.03925	11.3
176.01021	4.5
177.01903	2.1
177.05508	2.4
179.03389	3.7
179.07066	3.1
180.04236	5.3
189.01886	1.5
190.02635	96.2
191.03204	8.6
191.05307	1.3
193.01346	1.9
193.05020	4.0
195.06546	20.5
195.08191	0.9
196.06728	1.1
197.09648	1.5
205.04994	100.0
206.05315	6.0
207.03018	1.3
208.03772	2.5
209.04497	2.6
223.06082	19.3
225.07565	1.7
227.12749	1.7
238.36479	1.1
239.10686	1.4
265.07230	1.3
269.10648	1.2
283.09943	1.6
295.08234	1.4
329.14053	1.5
337.09152	6.2
367.10294	56.3
368.10645	5.0
445.11612	1.9
463.11578	1.4
521.34851	2.1
533.16632	96.6
534.16956	15.6
545.16229	2.0
563.17468	7.9
581.16870	4.2
589.13177	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	581.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.5
57.03311	0.6
57.07170	0.4
59.01258	4.8
59.43987	0.4
61.98701	27.9
63.02245	0.7
65.00196	1.7
69.39430	1.0
69.39829	3.0
71.01240	2.6
72.99179	0.4
73.02809	1.3
83.01247	1.3
85.02810	2.3
87.00735	0.5
88.98678	0.7
89.02302	1.4
93.03318	1.6
95.01267	0.6
96.95947	0.5
97.02836	0.6
99.00726	0.5
101.01681	0.4
101.02321	1.9
107.01268	3.1
108.02051	1.7
109.02809	1.9
113.02320	1.2
119.01276	1.1
119.04929	0.5
120.99545	0.7
121.02837	1.2
123.04398	3.1
124.01573	0.7
125.02325	1.8
133.02831	1.1
135.00835	1.0
135.04387	1.4
137.02306	1.2
145.02858	0.7
147.04280	0.4
148.01540	0.9
149.02344	1.3
150.02867	0.6
151.00285	8.4
151.03951	0.9
152.00955	0.6
153.01828	1.0
153.05432	1.6
159.04410	0.5
160.01579	0.5
161.02335	1.6
163.00264	2.6
163.03897	1.3
165.01851	0.9
165.05252	0.5
167.03380	1.7
169.01337	1.3
173.04436	0.9
174.03123	1.4
175.00302	1.4
175.03957	3.4
176.00636	1.5
176.04347	0.6
177.00644	0.7
178.99774	4.9
183.04427	0.6
183.10220	0.9
187.03879	0.6
188.04695	0.7
189.01881	0.6
190.02614	4.5
191.03008	3.1
191.05518	2.7
192.03157	2.5
193.03456	0.8
198.03117	0.7
199.03923	2.6
201.01883	0.7
203.03430	0.5
205.05072	3.4
206.05399	2.5
207.05530	2.7
208.05731	0.9
211.03802	1.1
215.03416	0.9
216.04265	1.1
223.06206	0.7
225.06525	0.6
226.02649	7.7
227.03473	5.5
228.03842	0.8
229.01208	0.7
242.02281	0.5
243.02957	25.3
244.03265	2.4
254.02190	8.5
255.02968	18.0
256.03293	1.7
271.02472	100.0
272.02914	11.1
283.02454	0.7
297.03513	0.6
298.98453	0.7
299.01718	0.9
300.02731	92.8
301.03397	27.7
302.03833	1.4
311.06467	2.2
343.04462	1.2
389.25247	0.5
445.07990	1.0
446.22134	0.6
487.10104	2.1
535.01312	1.2
572.36182	0.5
580.27167	6.1
581.13025	98.0
581.26617	8.0
582.13379	16.7
582.21411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.3
60.01588	1.3
61.01675	0.5
61.98702	100.0
69.39890	0.5
69.40305	1.3
71.01254	0.6
75.00777	0.2
85.02872	0.3
89.02306	0.3
98.20538	0.4
101.02332	0.3
101.30235	0.2
123.04402	0.3
125.02348	0.5
132.88246	0.2
135.04466	0.3
137.02394	0.4
138.08351	0.2
139.11198	0.3
151.03978	0.3
161.02330	0.4
167.03426	0.7
175.03928	0.5
179.06987	0.2
183.10341	0.3
225.11281	0.3
243.12267	1.2
273.07718	0.8
283.09879	0.2
285.13544	0.3
341.13715	0.9
342.14331	2.2
343.14902	2.7
345.15643	0.5
355.15527	0.8
356.15790	2.0
357.16870	4.5
358.17325	8.6
359.17734	0.6
393.56876	0.2
405.17871	0.6
543.05292	0.3
580.27686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31483	1.2
55.68793	1.0
58.00459	4.8
59.01249	100.0
61.12320	1.0
61.98711	1.7
64.66963	1.0
70.68259	1.1
71.01254	15.7
71.30399	2.3
71.85860	1.0
72.99172	5.7
73.02821	7.7
85.02827	13.9
89.02313	24.7
96.19146	1.1
101.02310	16.2
103.03890	23.2
114.70196	1.0
119.03379	11.8
127.03902	1.9
145.04968	4.0
163.04691	2.4
163.06020	38.0
211.13330	2.5
220.08476	1.1
221.88910	1.2
298.40814	1.2
471.50201	1.1
572.30042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81892	0.6
57.03318	1.8
59.01250	79.4
60.01586	1.0
61.98703	16.7
69.28849	5.2
71.01250	8.8
72.99197	0.9
73.02826	2.7
75.00753	1.6
83.01250	1.5
83.04900	1.2
85.02820	4.4
87.00746	1.7
87.52460	0.6
89.02317	4.1
93.03333	1.2
95.01292	1.7
96.95875	0.9
97.06473	0.6
98.20603	1.3
99.00777	1.2
99.04395	0.6
101.02312	5.2
108.02074	2.7
109.02843	3.2
109.06489	0.8
109.99989	2.0
111.00776	1.6
113.02318	2.9
115.00289	0.6
117.03365	2.4
119.03411	0.7
119.04929	2.1
121.02840	2.0
122.03651	1.7
123.04408	6.9
124.01564	1.5
125.02346	2.5
131.03391	0.8
132.02074	1.9
133.02879	1.6
134.03630	1.8
135.04431	1.6
136.98701	1.4
137.02364	1.7
137.05984	1.5
137.99510	0.9
138.06773	0.7
139.00261	0.9
139.03931	1.7
145.02856	7.6
147.00780	0.6
147.04419	1.6
148.01553	3.7
149.02295	2.3
149.05959	1.5
150.03107	2.2
151.00302	0.8
151.03911	1.4
152.01082	3.4
153.01848	0.9
153.05515	3.5
153.09079	1.2
159.00806	1.4
159.04373	0.6
160.01538	3.2
161.02405	3.0
161.04471	1.8
161.09674	1.2
162.02843	0.8
163.03920	4.9
165.01891	1.0
165.05486	1.9
165.99011	1.5
167.03421	6.4
167.07158	0.9
169.01353	2.2
173.05949	0.6
174.03148	0.8
175.03944	5.9
176.01057	10.6
176.04617	0.8
177.01796	3.3
179.03387	1.7
181.05003	2.1
189.01849	2.2
190.02557	1.5
191.03427	18.7
192.00574	1.2
192.03665	1.0
192.39911	0.6
193.04970	2.5
205.04979	0.9
207.02931	1.2
209.04521	10.0
209.11757	1.0
217.01428	1.5
219.02950	1.1
225.14934	2.3
227.12875	0.9
231.03011	0.8
235.06113	0.7
241.05023	2.4
267.15976	1.3
269.04596	4.2
270.05292	6.5
271.02484	0.7
285.07675	13.0
286.08078	1.4
299.02008	1.0
300.99969	1.2
314.04355	0.9
329.23431	0.6
341.06610	4.4
357.24463	0.7
358.95700	0.6
359.25858	4.3
371.25958	1.1
373.25610	1.3
389.26901	6.6
395.25607	0.9
397.27554	2.5
411.29214	1.5
413.27029	1.1
415.28439	1.8
419.28021	16.5
420.28522	2.3
425.26251	1.2
425.30896	2.2
427.28397	1.0
429.26767	0.7
435.07230	0.7
441.30057	1.8
443.27838	2.0
445.29611	1.9
453.29794	1.3
455.27393	0.8
457.33466	0.6
459.30420	1.3
469.28995	0.9
471.31027	3.2
473.29074	7.1
474.29596	1.5
483.31149	1.0
489.32315	2.9
501.31461	2.5
519.33252	100.0
520.33557	18.4
535.21881	0.9
564.14618	1.1
579.23309	10.6
580.24207	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	579.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33109	0.3
57.03327	0.5
59.01250	82.9
60.01580	1.0
61.98698	2.7
69.17739	1.6
69.18169	1.9
71.01259	2.4
73.02821	1.1
75.00754	0.5
78.95758	0.3
83.01267	0.5
83.04884	0.3
85.02823	1.2
87.00754	0.4
89.02324	0.9
93.03331	0.5
95.01288	0.6
95.04903	0.4
96.95879	0.8
99.04386	0.7
101.02338	1.3
105.67941	0.3
108.02059	0.4
109.02847	0.6
113.02406	0.4
119.01295	0.4
121.02869	0.6
123.04414	1.1
123.07891	0.3
124.01544	0.7
125.02344	1.0
132.02104	0.8
134.03630	1.1
135.02904	0.4
135.04404	0.8
135.07996	0.4
137.02324	0.9
139.03889	0.4
145.02861	0.4
149.02345	0.9
149.06033	0.7
150.03125	0.3
151.03944	0.5
152.01083	0.7
152.57425	0.3
160.01575	2.8
161.02338	0.9
161.04390	0.6
161.09671	0.9
163.00323	0.6
165.01837	0.6
165.05357	0.5
167.03423	2.5
168.00536	0.3
169.01315	0.8
173.02344	0.7
175.00272	1.0
175.03918	2.8
176.01080	2.1
177.01793	0.6
179.03554	0.4
179.10529	0.3
181.04900	0.5
183.70996	0.3
187.03645	0.3
187.11246	0.4
189.01822	0.5
190.02635	1.0
190.99887	0.9
191.03398	2.5
191.05055	0.4
192.00562	0.4
193.01396	0.6
193.04924	1.7
196.07114	0.4
205.04961	1.6
209.04395	0.4
219.13797	0.4
223.06165	0.4
286.84265	0.3
313.21695	0.4
343.26471	0.4
357.24286	0.6
359.26053	2.9
367.10175	1.5
371.25830	1.0
385.27652	0.5
387.25403	0.4
389.27014	4.7
397.27338	1.9
401.26813	0.7
405.27902	0.5
407.29996	0.6
409.27420	0.3
411.29089	1.5
413.26776	1.3
413.31335	0.5
415.28754	1.4
419.28040	15.1
420.28482	2.1
423.28925	1.2
425.25928	0.6
425.31488	2.3
427.28409	1.2
431.31726	0.4
435.28918	0.8
441.29861	1.5
443.27374	1.0
443.32025	1.1
445.29492	2.5
446.29877	0.3
453.30399	2.1
455.27951	0.6
459.31644	0.8
469.29459	0.9
471.31033	2.4
472.31421	0.4
473.29053	5.4
474.29376	0.7
489.32184	2.4
490.32687	0.4
491.33575	0.4
499.30859	1.2
501.32056	1.2
503.30325	0.5
517.27570	0.5
519.33240	100.0
520.33582	19.9
579.24158	5.1
579.35345	5.0
580.25604	0.6
580.35468	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	579.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03315	1.6
59.00955	0.8
59.01250	13.9
61.98699	22.7
63.99103	0.7
65.00181	0.5
67.01759	0.6
71.01259	7.2
72.99178	1.4
73.02823	3.1
75.00734	2.0
78.95795	0.6
83.01263	1.2
85.02821	3.3
87.00747	1.3
89.02300	3.0
91.01758	1.1
93.03336	1.6
95.01253	0.7
96.95925	0.8
99.00745	0.8
101.02316	4.2
107.04902	0.8
108.02045	1.7
109.02819	1.6
113.02332	2.6
116.92719	0.5
117.01800	0.5
117.03339	1.3
119.01274	3.8
119.03421	0.6
119.04925	1.4
121.02803	2.8
123.04377	2.5
125.02345	2.3
125.05927	0.6
126.24163	0.5
131.73410	0.4
133.02841	5.8
134.03728	2.2
135.04424	3.6
137.02330	1.7
137.09544	0.6
145.02863	4.3
147.00798	5.4
147.04416	2.2
149.02344	7.4
149.04379	0.5
149.05957	0.6
150.03035	0.7
151.00208	0.7
151.03847	1.1
152.01079	4.0
153.01767	0.9
159.04398	0.6
160.01587	1.3
161.02348	17.9
161.04483	1.2
162.02672	2.2
163.03926	3.7
164.04706	7.1
165.01805	1.7
165.05406	1.1
166.02612	0.8
167.03426	4.9
167.06969	0.7
169.01326	1.4
169.05003	0.7
174.03133	1.3
175.00278	22.7
175.03905	6.7
176.00760	1.6
177.01804	1.2
179.03465	2.9
179.06987	1.3
181.04956	1.0
189.01868	1.5
190.02631	56.2
191.03186	4.1
193.01256	0.6
193.05014	1.0
205.04993	58.5
206.05292	3.6
207.02904	1.7
208.03691	1.0
209.04465	2.7
209.11761	0.9
223.06087	5.8
251.05365	0.7
253.18056	1.5
254.18224	0.6
267.15985	0.5
271.02444	0.6
271.05905	0.6
297.11807	0.6
299.18756	0.7
300.02484	0.6
300.99973	0.8
301.20093	1.7
310.43985	0.5
311.07877	0.5
329.23413	0.7
341.06796	0.6
343.17432	0.5
357.26382	2.5
387.23514	0.7
417.15436	1.1
475.17178	0.8
549.23370	2.2
564.25562	1.9
579.28101	100.0
580.28339	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	579.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03309	0.9
59.01245	6.7
61.98426	0.5
61.98704	6.0
66.17442	0.3
69.27514	1.3
69.27933	2.0
71.01249	4.6
72.99167	0.9
73.02807	1.3
75.00713	0.5
79.34900	0.3
83.01250	1.2
85.02813	2.6
87.00768	0.7
89.02311	1.5
91.01771	1.1
93.03333	1.2
95.01268	0.8
97.02846	0.5
99.00784	0.4
101.02313	2.6
104.25173	0.4
107.04910	0.5
113.02349	1.8
118.97768	0.4
119.01250	4.3
121.02856	3.5
123.04417	1.3
125.02322	0.9
133.02870	0.4
134.03624	1.7
135.04419	2.6
136.99060	0.4
137.02332	1.1
139.03929	0.4
145.02795	0.5
147.00772	6.2
147.04317	0.4
148.01497	0.6
149.02348	9.2
150.03041	1.1
151.03857	0.6
152.01064	1.6
160.01585	0.8
161.02374	1.7
161.04437	0.5
162.03107	0.5
163.03917	3.1
164.04703	6.7
165.01837	1.4
165.05196	0.5
167.03444	1.1
169.01385	0.5
169.04865	0.5
175.00282	27.9
175.03859	1.2
176.00906	2.3
177.01843	1.1
179.07053	1.4
183.10188	0.5
189.01956	0.9
190.02635	70.2
191.03072	4.7
192.04047	0.8
193.01367	0.6
193.05054	0.5
205.04999	67.1
206.05338	3.8
207.02925	0.7
207.06532	0.7
208.03638	0.8
209.04491	2.5
223.03879	0.4
223.06071	8.0
224.06209	0.4
251.05591	0.8
267.15955	0.8
329.13168	0.4
336.87338	0.4
519.32825	0.5
549.23450	1.2
564.25403	1.8
579.28113	100.0
580.28442	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	579.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34223	1.2
55.01756	1.8
57.03322	4.7
59.00959	2.8
59.01250	54.8
59.77240	1.4
61.98700	8.2
66.41923	1.3
67.01750	1.3
67.53107	1.3
69.36952	10.9
71.01252	24.1
72.96411	1.1
72.99171	3.1
73.02800	7.5
73.59456	1.5
75.00733	3.6
77.05524	1.2
79.95615	1.3
83.01239	3.4
83.04887	2.5
85.02811	10.7
87.00745	3.3
87.04375	1.3
89.02324	21.9
93.03343	1.7
95.01269	2.9
96.95891	5.0
97.06497	1.3
98.20600	2.7
99.00794	2.0
99.04393	3.8
101.02326	20.1
103.03850	1.9
107.04889	2.5
109.02829	3.6
111.00748	2.7
111.04391	1.7
113.02322	10.3
118.07439	1.3
119.03393	8.9
119.04924	1.9
121.02869	2.1
123.00767	2.5
123.04416	4.0
125.02337	5.8
131.03409	2.1
133.02899	1.8
134.03586	3.5
135.02907	3.3
135.04420	3.7
136.01558	2.8
137.02380	6.1
143.03363	2.6
144.75960	1.4
147.04489	1.9
147.06488	7.9
149.02348	4.0
149.04428	1.4
151.03870	8.8
152.01019	2.5
153.01811	2.5
160.01582	4.8
161.02333	5.2
161.04512	4.1
161.05942	1.9
163.03906	1.8
165.01819	2.5
165.05467	4.4
165.07588	13.8
165.12737	2.0
166.99835	1.4
167.03383	2.7
169.01407	2.0
173.04477	2.0
175.03899	6.8
176.04594	1.3
177.01830	3.9
179.03441	3.3
179.05518	5.3
181.04974	1.7
189.12785	2.2
190.02644	2.9
191.03401	2.1
191.05435	1.4
191.10846	1.8
193.01349	2.7
193.04968	3.0
201.01689	1.3
205.05022	2.1
207.02963	2.0
207.13818	9.0
209.11790	6.1
211.06047	3.5
227.12865	1.9
233.11823	2.2
243.03009	1.8
251.12987	1.9
258.36786	1.4
269.13901	2.8
269.17545	1.9
271.05249	1.6
287.14954	1.8
301.03323	1.5
309.11951	2.1
327.12897	11.8
334.99228	1.4
337.09314	1.7
357.13538	3.2
369.10739	1.7
387.10980	1.9
417.15491	9.6
417.25079	2.9
484.22110	1.3
489.09647	1.5
519.24524	3.6
561.25507	2.4
579.26605	100.0
580.26813	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	579.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
58.32165	0.4
58.86356	0.4
59.01247	6.4
61.98429	0.3
61.98700	2.6
61.98969	0.4
65.38909	0.4
69.33574	1.4
69.33994	2.0
70.89944	0.4
71.01252	5.1
73.02820	1.9
75.00759	0.8
83.01266	0.7
85.02818	2.3
87.00752	1.4
87.04393	0.9
89.02303	2.9
93.03344	1.3
96.95901	0.6
97.02883	0.4
99.00753	0.6
101.02315	2.6
109.02767	0.6
113.02328	1.4
117.03372	0.9
119.03387	0.8
121.02830	1.6
123.04404	1.0
124.01526	0.4
125.02351	0.8
132.02052	2.3
133.02861	0.7
134.03638	7.5
135.04382	1.1
137.02332	0.7
138.03181	0.4
138.06747	1.3
139.07545	0.5
141.68526	0.4
148.01559	5.2
149.02341	3.7
149.05927	1.0
150.03128	7.4
151.03856	1.6
152.01038	0.7
153.01860	1.5
153.05539	0.6
153.09111	2.5
160.01570	13.5
161.02209	0.9
161.04459	0.8
163.03905	0.6
164.04749	0.4
165.05484	1.6
167.03404	1.5
169.01363	0.5
173.02339	1.3
175.00278	0.4
175.02779	0.4
175.03909	15.4
176.01065	52.5
177.01611	3.6
178.02652	0.7
179.05515	0.5
189.01852	0.6
190.02698	0.7
191.03415	52.7
192.03766	2.7
193.01239	0.5
193.04985	10.6
194.02109	2.3
194.05302	0.5
195.02998	1.9
205.05028	0.5
207.06465	0.5
209.04489	3.4
211.06073	0.9
225.14897	0.8
235.06039	1.5
237.04039	1.0
269.17554	1.9
297.05966	0.9
327.12936	1.1
337.09277	0.6
341.06396	0.7
353.08246	0.4
356.93445	0.4
364.91223	0.4
374.48697	0.5
417.24640	0.4
433.05469	0.5
504.05893	0.4
564.22156	1.2
579.24426	100.0
580.24811	15.5
601.89569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.03328	7.9
58.00462	2.2
58.97113	1.7
59.01249	68.8
60.98074	1.4
61.98695	10.2
67.60314	1.5
67.78387	1.6
69.03315	2.6
71.01248	75.4
71.04893	2.2
71.27189	3.2
72.99168	5.9
73.02812	14.4
75.00749	5.5
78.95831	1.6
81.03315	5.0
83.01250	8.9
85.02818	20.4
87.00753	4.7
89.02314	50.1
93.03345	2.8
95.01270	4.9
95.04881	2.6
96.95878	3.4
97.02833	5.5
99.00748	8.0
99.04382	4.5
101.02319	42.1
101.96109	1.6
107.04875	1.9
108.02074	1.7
109.02823	10.3
111.00739	3.7
113.02324	25.0
115.00236	2.6
119.03372	10.0
121.02838	4.4
123.04400	4.1
125.02329	35.1
126.02667	5.2
127.02832	2.8
129.01801	1.9
131.03397	17.1
133.01233	3.3
135.02887	16.9
135.04393	3.4
136.01485	1.7
137.02322	6.3
138.02711	1.6
138.06750	15.2
139.02798	2.0
143.03372	6.2
147.04419	1.7
149.04420	9.7
151.03906	2.9
151.46927	1.4
153.09114	56.3
159.02892	5.5
161.02338	4.9
161.04446	29.4
161.05779	1.8
163.03894	4.5
169.01349	1.9
173.04306	2.0
175.02409	2.4
175.03873	3.3
177.01781	2.9
178.02325	1.6
179.03459	4.5
179.05507	5.2
187.03993	2.5
189.05406	2.3
191.05513	6.4
203.03474	1.5
205.05005	3.1
207.13788	5.9
225.05370	2.6
225.14905	89.4
226.06149	3.0
226.15314	8.3
243.03250	1.6
246.08377	2.1
255.10355	7.3
289.07230	18.8
290.07431	7.0
291.07663	7.5
293.08780	5.9
300.99594	2.7
333.31216	1.6
343.08142	3.4
357.13345	15.6
358.13846	1.9
387.20209	99.9
388.20441	10.9
399.06598	2.2
408.08054	6.1
409.08292	5.7
417.11874	2.4
427.09540	2.4
431.19189	3.8
452.11084	1.6
453.10947	2.0
456.97214	1.8
463.12894	1.9
469.11292	1.9
519.24432	100.0
520.24664	15.2
579.14288	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	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64046	0.2
52.96320	0.2
55.10880	0.1
56.04716	0.2
59.01247	1.9
59.21886	0.1
61.98699	3.2
64.64294	0.1
65.00196	1.3
69.79286	0.3
69.79694	0.6
71.01231	0.8
73.02811	0.3
75.00756	0.3
81.03345	0.2
85.02829	0.3
89.00208	0.2
89.02322	0.4
90.39579	0.2
91.01797	0.1
93.03332	0.2
95.01276	0.7
97.02824	0.9
98.20483	0.2
101.02320	0.5
108.02083	0.2
109.02877	0.2
109.21355	0.2
111.00801	0.2
113.02301	0.5
119.04932	0.4
121.02831	0.6
123.00753	1.0
123.04399	1.7
124.01542	13.0
125.02312	0.6
133.02812	0.2
133.76736	0.2
137.02335	0.6
139.00272	0.5
139.03906	5.9
140.04259	0.4
149.02371	0.2
149.99480	0.5
151.00244	0.4
152.01045	41.1
153.01395	1.9
161.02332	1.1
161.04459	0.2
165.01828	4.1
167.03397	4.9
168.03737	0.2
169.01376	0.2
175.00285	0.2
175.03938	0.9
176.00966	0.2
179.03404	0.2
183.02908	0.2
183.99982	0.3
190.02617	0.3
191.03394	0.2
192.40353	0.1
195.08066	0.5
198.97061	0.1
205.05045	0.3
210.06830	0.1
227.10727	0.2
237.09615	0.2
239.07095	0.5
255.10388	0.2
256.07358	7.2
257.07803	0.5
266.02222	0.2
269.07977	0.2
271.09723	100.0
272.10065	9.8
288.06131	0.2
300.99750	0.1
313.10889	0.3
357.26453	0.2
367.10370	0.2
579.20166	0.2
579.28119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03301	3.6
59.01248	94.6
61.98702	29.4
65.00169	1.6
68.99670	1.8
69.03321	1.2
71.01248	18.2
71.04900	1.2
72.99149	2.9
73.02808	6.2
75.00718	3.9
78.95750	1.3
81.03291	1.5
83.01220	4.1
83.04861	2.0
85.02825	8.8
87.00760	5.6
88.98663	1.5
89.02314	8.9
93.03304	2.5
95.01232	2.6
95.04880	1.5
96.95840	2.6
97.02775	1.1
99.00703	2.5
99.04359	2.0
101.02322	10.3
102.85146	1.1
104.02520	1.2
105.03315	1.0
107.04857	3.1
108.02035	8.0
109.02825	5.5
109.99982	7.0
111.00735	2.6
113.02315	8.5
117.03282	4.7
119.01221	1.4
119.03397	2.3
119.04863	4.0
120.02049	1.1
121.02798	5.0
122.03555	4.7
123.00737	2.4
123.04414	22.9
124.01565	6.6
125.02343	8.1
131.01210	2.1
131.03339	2.2
132.02066	7.9
133.02766	3.6
134.03658	5.7
135.04323	4.1
136.01477	3.1
136.98645	1.6
137.02266	4.0
137.05891	4.8
137.99435	3.1
138.06656	3.9
139.00188	1.3
139.03822	5.0
145.02884	7.7
147.00711	3.7
147.04347	3.3
148.01576	12.6
149.02228	4.8
149.05936	2.1
150.03017	4.8
151.00215	2.0
151.03822	4.3
152.01097	8.4
153.01750	3.0
153.04485	1.3
153.05463	16.3
153.09079	9.2
154.05704	1.3
159.00705	4.3
160.01579	6.9
161.02386	5.2
161.04449	5.2
161.09540	1.5
163.00221	1.5
163.03915	12.9
163.11035	1.2
164.04234	1.3
165.01794	1.5
165.05367	4.3
165.98935	6.4
167.03423	15.7
167.07047	1.5
169.01248	2.3
174.03046	1.8
175.03912	9.7
176.01065	51.1
177.01727	6.8
179.03302	3.8
181.04959	9.6
187.03897	1.6
189.01797	4.3
190.02498	2.4
191.03416	66.3
192.03661	3.4
193.04955	6.0
205.04984	2.5
207.13797	2.2
209.04489	36.6
209.11665	3.2
210.04736	2.2
217.01262	2.2
219.02779	1.2
223.08058	1.6
225.14836	8.1
226.15067	1.3
227.12782	2.2
241.05028	6.9
267.15955	2.3
269.04507	8.7
270.05304	18.8
271.05737	2.1
285.07666	34.0
286.07776	3.5
289.06900	1.9
299.01804	1.8
300.99832	2.6
314.04349	1.9
315.04413	1.1
341.06534	8.1
359.25806	1.6
373.25626	2.6
381.09177	1.5
389.26971	5.2
397.27158	1.7
411.28400	1.6
419.28030	16.8
420.27951	1.2
423.28775	1.6
427.28265	1.7
429.25800	1.2
439.19458	1.2
441.29913	1.3
443.27261	1.4
445.29153	2.9
453.29935	1.6
471.30798	3.3
473.28812	6.6
489.31958	5.1
491.33389	1.9
501.31476	1.4
519.33228	100.0
520.33710	9.8
579.23840	43.6
580.24329	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	579.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
57.27974	0.6
59.00960	1.0
59.01250	18.5
59.84203	0.5
61.98700	1.9
62.01750	0.5
62.06939	0.5
62.69782	0.5
65.52834	0.5
69.42568	0.5
71.01250	4.2
71.51398	0.6
72.99170	1.5
73.02809	1.9
75.00743	1.4
83.01229	1.0
83.04884	0.5
85.02807	1.6
87.00743	0.9
88.48238	0.5
89.02309	2.7
93.03307	0.6
95.01291	0.9
96.95892	1.2
99.00738	1.1
101.02335	3.4
108.02033	1.7
109.02805	1.9
113.02324	1.9
119.03395	0.7
119.04879	0.9
121.02825	3.4
123.00790	3.6
123.04405	0.9
124.01542	2.5
125.02318	2.1
135.04416	2.1
136.01564	15.3
137.02342	5.8
139.00311	0.8
143.03288	0.6
147.04416	0.5
148.01569	0.8
149.02345	1.8
149.06049	0.7
149.99434	0.6
150.03140	3.9
151.00273	14.7
151.03914	20.7
152.01021	1.4
152.04227	0.9
153.01869	2.7
160.01588	0.7
161.02301	1.1
161.04495	1.4
162.03119	0.8
163.03889	2.2
165.01840	1.8
165.05515	1.6
166.02669	1.4
167.03430	0.7
168.00490	0.6
169.01337	1.2
173.04507	0.6
175.03879	1.3
175.07597	0.6
176.01059	5.8
176.04826	0.6
177.01749	1.0
177.05574	1.3
179.03372	2.1
181.04945	1.3
187.03981	0.6
189.01814	0.7
189.05518	0.7
190.02576	0.8
191.03423	7.6
193.04907	1.5
195.02753	0.6
205.05113	0.9
206.86821	0.6
209.00987	0.5
209.04494	1.8
210.04816	0.8
211.06017	1.4
227.12817	0.7
228.04248	0.8
243.06493	1.1
257.04480	1.7
262.34723	0.5
271.02795	0.5
271.06174	3.7
286.08557	0.6
299.02011	0.6
313.10916	0.7
340.09518	1.0
341.06662	0.9
342.11053	16.0
343.11307	1.7
355.11829	4.3
357.13416	100.0
358.13766	14.9
373.11343	0.9
387.10651	0.6
389.25424	0.5
417.15637	2.0
417.24750	0.7
431.19016	0.6
497.93399	0.6
579.15662	0.7
579.24323	13.2
580.25452	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	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40524	0.3
59.01243	4.0
60.99150	0.4
61.98707	1.1
67.01730	0.5
69.03347	0.5
71.01248	3.4
73.02820	1.0
74.18723	0.3
75.00745	0.8
83.01257	0.4
84.02048	0.4
85.02821	1.5
87.00745	0.5
88.98674	1.2
89.02316	1.5
93.03345	0.7
95.01254	0.7
96.95890	0.3
101.02328	2.2
104.24619	0.3
108.02029	0.4
109.02846	2.4
111.00758	0.9
113.02328	1.4
119.03409	0.5
119.04923	1.2
121.02853	1.1
122.03619	0.4
123.00771	2.3
123.04379	0.7
125.02301	2.6
129.05467	0.7
133.02870	0.6
134.03609	0.9
135.02895	0.9
135.04384	1.0
136.01543	0.4
137.02345	8.4
138.03111	0.8
139.00244	0.8
139.03879	1.2
149.02304	1.6
149.06010	0.9
150.03131	1.2
151.00267	15.4
151.03868	1.6
152.01054	1.6
152.04712	2.0
153.01814	0.5
160.01555	1.2
161.02335	1.5
161.04419	1.1
163.03886	1.4
164.04659	0.8
165.01863	1.2
165.04034	0.3
166.02621	49.4
167.03217	3.7
168.98294	0.3
169.01353	1.6
173.02438	0.7
174.03113	2.1
175.03923	3.6
176.01042	0.7
177.01897	2.6
177.05469	0.7
178.02477	0.6
179.03375	0.9
179.05513	0.6
179.07013	0.5
181.04976	63.5
182.05324	3.3
184.03741	0.5
187.03918	0.5
189.01747	0.4
189.05469	0.8
190.02606	0.9
190.06314	0.8
191.03423	1.4
191.06972	0.4
192.04182	1.0
193.01413	0.5
193.04967	2.4
195.02873	0.9
205.04982	1.4
205.08644	1.2
207.02927	0.3
207.06573	1.5
209.04376	0.6
211.02333	0.4
217.05081	0.6
223.06094	1.1
227.12833	0.5
229.05035	0.4
229.40637	0.5
255.02882	0.6
269.14020	0.4
271.02161	0.5
271.04672	0.9
287.15149	0.4
291.10959	0.4
300.02664	1.0
301.03442	0.6
301.06921	0.5
309.11832	1.9
313.05670	0.9
316.09454	0.4
337.09439	0.6
351.12799	0.4
359.11197	1.9
371.14963	0.8
373.11389	0.5
387.10834	13.1
388.11224	1.4
389.25323	0.4
402.13150	6.8
403.13531	0.8
417.15518	100.0
418.15869	13.1
418.21573	0.5
453.61029	0.4
489.10410	4.3
507.28595	0.4
512.28351	0.4
549.16193	2.1
550.16315	0.4
561.16180	0.7
579.13745	0.3
579.26788	5.1
580.26733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08947	1.1
57.03318	4.4
57.61319	1.3
58.00439	2.1
59.01247	100.0
61.98696	5.0
69.03299	2.6
71.01249	40.5
71.04877	4.3
71.30457	2.9
72.99171	3.1
73.02815	10.1
75.00750	6.5
81.03325	14.2
83.01250	6.0
85.02830	12.3
87.00751	3.7
89.02316	28.6
93.03308	4.3
95.01251	4.6
96.95870	2.9
97.02806	1.4
97.06461	2.1
99.00751	6.7
99.04397	21.5
101.02318	30.8
105.04448	1.2
107.79302	1.3
108.02020	2.4
109.02845	4.2
113.02324	18.3
115.00230	2.7
119.03397	11.7
121.02843	28.6
122.03608	2.7
123.04352	2.4
125.02310	5.4
129.01796	1.6
131.03381	5.3
133.01277	2.9
134.03659	12.0
135.02881	13.9
135.04370	7.5
136.01558	16.8
137.02350	2.5
143.03369	3.5
147.04469	2.8
148.01517	1.3
149.02344	3.3
149.04515	2.5
149.05975	8.8
150.03078	1.7
151.00349	1.8
151.03912	16.5
152.01036	1.7
159.02927	2.2
161.02333	5.9
161.04457	9.5
162.03149	9.7
163.03867	2.2
164.04579	2.1
167.07008	5.3
168.00534	1.5
175.00224	2.9
176.00996	4.4
176.04688	1.7
177.05441	4.9
177.09145	2.0
179.03448	3.2
179.05527	5.7
190.02605	8.7
191.03358	6.0
191.05318	1.8
193.04915	1.5
197.06061	2.1
205.05031	7.1
207.02809	2.1
207.13808	3.3
209.11737	2.9
211.06058	5.7
221.08119	23.7
225.05650	6.9
225.14821	5.5
227.10797	2.4
227.12836	24.7
243.02982	2.3
255.02823	2.4
255.10107	1.7
269.08173	3.6
269.13867	6.9
271.02444	3.7
271.05853	1.7
287.14984	25.7
299.99295	1.4
300.02649	3.6
301.03488	2.5
301.10507	1.6
303.49210	1.5
307.09720	3.7
329.16028	2.1
339.12259	14.2
353.08749	5.0
357.13422	69.8
358.13846	7.8
367.10275	6.7
370.08932	2.2
389.18140	3.9
431.18158	1.5
449.19891	6.7
463.12390	5.0
519.18585	21.1
519.25366	2.4
520.19208	3.2
579.23328	42.2
580.22974	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	579.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.4
57.54773	0.3
59.01250	5.5
61.98707	3.5
63.97743	0.3
69.99155	1.6
71.01247	2.3
72.13383	0.3
73.02811	0.5
76.95020	0.3
77.44476	0.3
81.03316	0.4
83.01265	0.6
85.02817	0.5
85.08553	0.3
85.09187	0.3
87.00777	0.4
89.02299	2.2
90.40308	0.3
90.82977	0.3
95.04913	0.3
99.92451	9.7
100.92453	0.6
101.02309	1.4
102.02645	0.3
108.02030	0.3
109.02831	1.1
113.02338	0.7
114.93252	0.4
116.92742	100.0
117.03301	0.5
117.92753	5.2
119.03403	0.7
119.04921	0.6
123.04408	0.9
125.02345	2.0
126.02675	0.4
131.03439	0.5
133.02872	0.4
135.04443	0.4
137.02332	1.2
145.02844	1.1
149.06059	0.3
151.03893	0.3
152.01009	0.3
153.05507	0.4
161.02310	1.2
161.04465	0.4
163.03943	1.0
165.01819	0.6
165.05455	0.5
167.03395	1.6
169.01260	0.4
175.03906	0.9
177.01915	0.4
189.01863	0.7
191.03349	0.7
205.05034	0.4
253.18130	1.0
254.18422	0.8
271.06140	1.1
272.06448	0.9
285.11520	0.5
289.07230	0.8
290.07547	1.1
299.01941	0.5
315.04953	0.6
341.06583	0.3
357.26587	0.4
372.04623	1.9
396.96506	0.4
401.25385	0.6
416.17972	0.5
461.10831	0.8
561.03265	0.8
578.26465	0.4
579.09857	0.4
579.29688	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81948	0.5
59.01250	3.1
69.79916	3.0
71.01246	3.4
72.99169	2.1
73.02814	0.6
75.00743	28.7
85.02818	1.3
87.00746	7.7
89.02315	5.7
93.03333	1.9
96.95892	3.7
108.02037	1.7
109.02837	8.7
112.82844	0.5
115.00234	1.9
117.01845	3.0
119.04911	9.0
121.02856	0.6
122.03626	1.9
125.02351	1.2
129.01836	0.8
133.02885	1.2
133.06465	0.9
135.02870	100.0
135.04401	31.8
136.03198	2.3
136.04732	1.6
137.03290	0.7
141.47215	0.5
145.06485	0.7
149.05978	0.7
161.02322	5.0
161.05942	0.9
163.03926	11.1
179.03416	23.6
180.03732	1.5
191.05492	0.5
226.06296	2.1
227.07057	7.0
228.07462	0.7
237.06100	3.0
239.07008	3.1
253.08679	1.0
255.10240	30.3
256.10638	3.2
281.08459	1.3
297.06198	7.7
299.09256	2.7
325.07019	1.6
343.08203	7.5
344.08548	0.8
417.11646	1.2
443.09857	0.8
461.10907	10.8
462.11234	1.1
482.91232	0.6
579.13556	13.2
580.13641	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89393	0.2
52.91350	0.2
57.03345	0.4
57.77703	0.3
59.01249	3.3
61.98702	0.5
70.83888	0.5
71.01250	2.9
72.99174	1.9
73.02832	0.3
75.00742	24.9
76.01072	0.5
83.10936	0.2
85.02833	0.4
87.00745	0.7
89.02311	4.5
93.03334	0.8
93.10831	0.2
96.95886	4.0
96.96835	0.4
99.00828	0.3
100.74885	0.2
108.02029	1.5
109.02833	3.8
115.00255	2.0
117.01826	1.8
119.04914	3.3
120.05212	0.3
120.14822	0.3
121.02857	0.8
122.03615	1.2
123.04420	0.6
125.02328	0.7
133.06482	0.3
134.03584	0.3
134.13249	0.3
135.02884	100.0
135.04343	5.8
136.03235	2.6
137.02269	0.5
163.03947	2.9
179.03426	3.0
189.03966	0.3
195.06546	0.4
206.24550	0.3
210.06830	0.4
225.05534	0.4
226.06293	2.9
227.07082	18.7
228.07472	1.5
253.08629	0.6
255.10240	12.0
256.10675	1.4
279.06607	0.4
281.08322	0.5
299.09183	0.9
325.07132	0.7
343.08173	8.4
344.08569	0.9
398.20288	0.3
417.11478	0.3
443.09723	0.3
461.10666	4.3
461.15836	0.3
462.11145	0.7
579.13495	9.0
580.13788	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30899	0.3
53.99702	0.4
54.97639	0.3
57.57985	0.4
59.01247	24.0
60.01576	0.5
61.98690	1.5
67.67342	0.3
71.01228	0.4
78.95771	22.8
83.04933	0.4
96.96864	0.4
98.20576	0.7
122.98432	0.5
126.62720	0.3
152.99490	3.4
168.04201	3.4
169.12247	0.4
179.74474	0.3
184.84851	0.3
209.11734	1.7
210.12071	0.7
224.06862	9.7
225.07240	0.5
229.60440	0.4
242.07996	2.6
245.51880	0.4
261.22333	0.6
279.23270	100.0
280.23587	10.6
311.22324	0.5
504.30945	58.8
505.31241	9.4
578.15662	0.4
579.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28088	0.2
59.01249	17.9
61.98689	0.8
70.24291	1.0
71.01243	0.3
78.95770	6.4
79.95566	0.3
80.96386	2.1
103.36990	0.2
103.88316	0.2
104.45010	0.3
117.22158	0.2
140.88051	0.2
141.12181	0.2
152.99484	1.5
164.98538	0.3
168.04210	1.7
204.98799	0.2
209.11827	0.5
210.12071	0.3
224.06836	1.0
242.07954	2.9
279.23273	100.0
280.23621	11.9
280.26785	0.4
485.32535	0.5
504.30939	30.5
505.31226	5.2
578.27203	3.9
579.27039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.4
59.31886	0.1
60.05976	0.1
61.98699	100.0
69.40522	1.0
71.01253	0.5
73.02818	0.2
75.00756	0.2
85.02825	0.4
85.62438	0.1
87.00750	0.2
89.02322	0.4
93.03339	0.4
96.95927	0.1
101.02339	0.4
107.04877	0.2
108.02055	0.5
109.02848	0.8
113.02298	0.3
119.03409	0.1
119.04872	0.2
121.02838	0.3
122.03667	0.2
123.04414	0.7
125.02383	0.2
134.03687	0.2
135.02869	0.2
135.04410	0.4
137.02367	0.2
145.02864	0.2
147.04398	0.2
149.02344	0.1
161.02383	0.3
161.04485	0.3
161.09641	0.3
165.01790	0.1
165.05493	1.2
166.05862	0.4
167.03409	0.3
169.01338	0.3
174.03171	0.2
175.03902	0.6
183.04486	0.2
190.02708	0.2
191.03426	0.3
196.07411	0.4
200.04744	0.2
205.05034	0.3
209.04456	1.4
210.04839	0.6
211.09735	0.4
223.06036	0.2
259.06104	0.5
271.02524	0.2
279.06500	0.7
280.06992	0.2
301.03214	0.2
311.73529	0.1
330.74014	0.1
341.06729	0.1
352.09692	0.2
353.10355	1.7
354.10568	0.2
367.10373	0.3
389.27109	0.2
407.01953	0.1
419.28204	0.4
519.33240	2.3
535.21753	0.2
578.15289	0.7
579.21167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.0
61.98702	2.6
66.78577	0.2
68.40990	0.2
69.97552	1.2
71.01237	0.4
72.99181	1.5
73.02813	0.7
74.02354	0.3
75.00742	100.0
76.01070	1.0
78.95801	0.4
101.02383	0.3
130.65283	0.2
135.05951	0.2
161.02266	0.3
199.11186	0.2
243.80020	0.2
331.90823	0.2
346.04764	0.5
410.80945	0.3
441.27170	0.2
454.52423	0.3
492.28229	0.3
517.31390	0.4
577.33966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36993	0.3
54.39198	0.2
55.01771	0.4
55.33620	0.2
57.03334	0.3
58.02842	0.3
59.01248	4.5
59.90809	0.2
61.98702	100.0
62.98411	0.2
65.91949	0.2
69.03328	0.2
71.01254	1.8
72.99175	0.5
73.02827	0.7
74.98977	0.3
75.00748	0.7
83.01280	0.4
85.02824	0.9
87.00751	0.4
89.02319	1.0
89.84336	0.2
93.03341	0.6
95.01266	0.6
96.95903	0.7
98.02344	0.4
99.00787	0.6
101.02340	1.1
108.02097	0.4
109.02851	0.4
113.02356	0.7
117.03410	0.3
119.03402	0.4
119.04922	0.4
120.23549	0.2
121.02856	0.5
122.03671	0.3
123.00792	0.6
123.04430	1.0
125.02325	0.8
129.05406	0.3
130.05034	0.5
131.03400	0.7
132.02083	0.4
134.03645	1.2
135.02863	0.3
135.04430	1.0
137.02364	0.4
145.02873	0.5
147.04417	0.4
149.02307	0.4
149.06015	1.0
150.03088	0.4
151.03954	0.5
152.01088	0.5
160.01625	1.2
161.02374	1.0
161.04486	0.6
163.03987	0.5
165.05533	0.4
167.03453	0.8
169.01328	0.3
174.03107	0.3
175.03909	2.7
176.01128	0.8
177.01891	0.3
188.10289	0.3
189.01923	0.4
190.02660	0.7
191.03426	1.0
191.05550	0.4
193.05028	1.1
200.04688	0.3
201.11263	0.4
205.05112	0.8
209.04623	0.5
211.09769	0.3
226.95184	0.3
235.06113	0.4
257.33401	0.3
259.06091	0.5
260.06543	0.3
279.06641	1.0
300.99896	0.4
303.06580	0.3
341.06183	0.3
353.10260	1.8
367.10495	0.4
519.25134	0.2
519.32886	1.2
560.14825	0.3
578.16870	0.3
578.27356	0.9
579.24030	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01256	1.8
61.31764	0.3
61.98714	0.6
63.96099	1.1
69.03342	0.6
71.01251	7.7
72.99201	0.3
73.02814	1.9
76.90167	0.3
78.95762	0.3
78.98466	6.2
79.95602	11.1
80.96386	72.5
81.03326	0.9
81.96326	0.4
85.02827	3.3
87.00748	2.4
94.97956	18.0
95.01250	0.7
96.95888	1.2
97.02829	2.0
99.00780	0.9
101.02332	3.1
106.97964	3.2
110.49265	0.4
113.02323	0.6
120.99494	0.4
122.97460	6.4
125.02328	3.9
127.03893	1.0
134.97490	4.5
136.99039	1.3
146.97479	0.5
148.99051	6.2
152.98532	6.7
157.00626	0.3
164.98540	11.8
166.32930	0.3
167.00107	0.5
182.99561	2.5
206.99619	2.7
209.11792	1.8
209.13530	0.3
216.86406	0.3
225.00674	16.6
226.00941	0.5
229.45087	0.4
242.99442	0.3
243.01697	2.1
277.21750	2.5
293.21194	0.7
299.04382	2.6
436.94473	0.3
471.62131	0.4
577.26837	100.0
578.27112	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.7
60.99187	0.6
61.98700	2.3
63.96107	1.3
69.03310	0.5
69.79611	2.0
71.01250	8.8
72.99170	0.7
73.02821	1.7
78.98460	7.4
79.95609	11.8
80.96387	84.4
81.03332	0.7
85.02822	3.2
87.00747	4.7
88.00285	2.4
88.98676	2.9
89.02316	14.9
93.45511	0.4
94.97959	20.2
95.01270	0.7
96.95871	1.2
97.02811	1.6
99.00748	0.7
101.02320	3.1
106.97969	4.2
113.02319	0.7
118.83508	0.4
121.19610	0.3
122.97470	3.7
125.02322	2.8
127.03889	0.6
134.96547	0.7
134.97470	5.6
136.99031	1.5
146.97437	0.7
148.99040	7.1
152.98535	7.1
164.97145	0.6
164.98541	13.1
169.93117	0.4
188.98570	0.6
206.99631	2.2
209.11815	0.7
225.00682	14.1
225.11220	0.4
273.24606	0.5
277.21735	1.3
293.21085	0.7
295.22717	0.7
299.04523	2.5
379.28244	0.4
380.28915	1.4
438.13855	0.5
577.26843	100.0
578.27148	16.1
578.36322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01251	100.0
60.01583	1.2
61.98702	21.8
63.99157	0.5
69.03334	0.4
70.27831	1.5
71.01260	3.4
72.99187	0.4
73.02825	1.1
75.00735	1.0
78.95773	4.7
85.02821	1.7
87.00738	0.4
89.02325	1.7
92.49371	0.4
93.03362	0.8
95.01225	0.4
96.95922	0.7
99.00790	0.4
99.30123	0.4
101.02329	1.4
108.02034	0.4
109.02839	0.9
113.02337	0.9
117.03373	1.1
119.04924	2.4
123.00790	0.4
123.04403	0.8
125.02332	1.4
133.02879	1.0
134.03635	0.5
135.04411	2.2
137.02339	0.6
138.06749	0.7
145.02885	2.2
147.04428	90.3
148.04747	4.7
151.00276	0.5
152.73778	0.4
152.99515	1.4
153.09132	1.6
161.02339	2.8
161.04498	0.7
161.06021	1.1
163.00264	0.5
163.03954	1.4
165.02008	0.4
165.05510	0.4
167.03426	0.7
169.01282	0.5
173.04547	0.4
173.07886	0.4
174.03053	0.6
175.03938	2.3
179.03427	1.3
181.05023	0.5
190.02704	0.7
199.03954	0.4
203.03447	0.4
205.05067	0.6
209.11819	0.7
225.14919	2.4
227.03488	2.6
229.04982	0.8
251.16566	2.7
252.16928	0.6
255.02977	4.0
256.03592	0.6
257.04526	0.6
269.04575	0.7
284.03256	4.2
285.04019	10.5
286.04407	1.0
289.07401	0.6
291.08731	0.4
326.05865	0.7
326.80048	0.4
357.26260	0.6
363.67081	0.4
397.10770	1.2
399.23941	0.7
517.24396	0.9
531.27991	0.5
533.23706	0.5
560.09900	0.4
577.14136	5.0
577.26666	2.8
578.14917	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	577.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78212	0.6
55.01744	0.5
57.03321	1.8
59.01247	7.5
61.98694	3.4
65.00205	0.6
66.12804	0.5
71.01253	6.2
72.56963	0.5
72.99172	0.5
73.02808	1.8
75.00746	0.7
78.95766	0.9
83.01258	1.3
85.02821	3.1
87.00772	0.7
89.02317	1.2
90.67439	0.6
91.01767	1.7
91.05441	0.7
93.03334	1.1
99.00715	0.5
101.02325	2.6
113.02319	1.6
119.01261	6.0
119.04890	2.0
121.02833	3.2
121.51334	0.5
125.02324	1.1
125.99320	0.5
133.02864	5.0
134.03654	1.2
135.04417	4.5
137.02333	1.0
143.21574	0.6
147.00772	5.9
149.02350	11.0
150.03081	1.2
151.03864	0.7
152.01077	1.4
152.99493	0.8
161.02336	14.5
161.04382	0.7
163.03897	3.3
164.04680	10.1
165.01843	1.8
165.05338	0.6
167.03352	0.8
169.04993	0.8
175.00275	33.4
176.00696	1.5
177.01799	0.6
179.07054	1.1
189.01851	0.8
190.02635	84.0
191.03027	4.4
195.03015	0.5
205.04991	79.7
206.05327	3.9
207.02838	0.7
207.06616	0.8
208.03720	1.3
209.04510	2.4
209.15381	0.6
223.06059	10.3
224.06503	0.6
251.05592	0.7
355.25012	1.0
477.16434	0.6
562.24164	1.5
577.26471	100.0
578.26825	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	577.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11100	0.3
55.01739	0.7
57.03322	1.4
58.00470	0.3
58.89405	0.3
59.01244	4.3
61.98690	1.1
63.44415	0.3
65.00178	0.4
71.01247	5.2
72.99159	0.4
73.02805	1.0
83.01263	0.9
85.02827	2.8
87.00737	0.6
89.02308	0.8
91.01783	1.6
93.03340	1.9
95.01257	0.4
99.00738	0.8
99.21243	0.4
100.60515	0.3
101.02341	2.6
107.04919	0.6
113.02329	1.2
119.01261	5.5
119.04955	0.4
120.01650	0.4
121.02856	3.4
125.02281	0.4
134.03645	1.4
135.04433	2.0
137.02377	0.6
147.00795	6.8
147.04417	0.8
148.01584	0.5
149.02342	11.2
150.03076	1.0
151.03886	0.5
152.01056	1.4
161.02316	1.3
162.03165	0.9
163.03934	3.0
164.04701	11.5
165.01862	1.5
165.05220	0.6
167.03398	0.4
169.05000	0.8
175.00282	38.2
176.00664	1.9
177.01854	0.4
179.07028	1.7
189.01895	1.0
190.02640	97.3
191.03011	5.6
193.01416	0.4
194.02136	0.6
205.04996	90.9
206.05325	5.1
207.03004	1.0
207.06633	0.4
208.03702	1.7
209.04503	2.7
209.15417	0.7
223.06062	11.6
224.06412	0.4
236.61504	0.3
244.82190	0.3
251.05603	0.6
317.87448	0.4
355.15002	0.4
358.27530	0.4
490.54755	0.4
547.21973	1.3
562.24127	2.1
577.26526	100.0
578.26868	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	577.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68571	0.7
57.03320	6.6
57.25152	0.8
59.00994	1.0
59.01252	11.3
59.44260	0.7
60.01567	0.7
61.98703	18.4
69.03326	1.6
71.01253	6.0
71.07285	1.1
71.07594	0.8
72.99164	1.0
73.02833	1.3
74.70322	0.7
75.00711	1.2
78.95776	2.5
80.18762	0.8
81.03325	3.1
83.01255	8.2
85.02823	2.7
87.00764	1.0
89.02313	2.5
93.03320	3.4
95.01270	1.2
95.04903	3.5
96.95885	1.2
97.02823	4.9
98.03619	1.4
100.38911	0.8
101.02326	4.0
102.81123	0.7
105.03338	1.1
107.01292	1.0
109.02834	15.9
110.03096	0.9
111.00787	1.6
113.02323	2.0
114.49708	0.7
117.03326	2.1
119.03416	0.7
119.04891	2.3
121.02850	5.4
122.03622	1.3
123.04404	9.6
125.02333	52.3
126.02660	1.5
133.02863	6.4
134.03661	5.9
135.04425	4.1
137.02342	100.0
138.02611	3.6
139.03877	3.0
143.10719	2.5
145.02856	12.9
146.03625	1.7
147.04405	2.2
149.02345	36.4
150.03137	16.2
151.03911	10.0
151.18642	0.9
152.01012	1.8
152.99522	1.2
157.06454	1.0
159.04401	4.3
160.05225	2.0
161.01080	1.3
161.02351	18.1
161.04457	1.7
161.05972	7.0
162.03012	1.7
163.03915	4.2
164.01056	1.9
164.04665	2.8
165.01825	4.6
165.05453	0.9
167.03412	2.1
173.05984	1.3
174.03117	1.8
175.00266	1.2
175.03941	6.2
175.07520	0.8
179.03423	5.3
179.14317	2.0
181.12228	1.4
183.04539	1.5
185.06026	5.6
187.03880	4.6
188.04660	2.3
189.01923	0.8
190.02744	2.1
191.03336	1.2
191.05470	0.9
197.15434	4.9
199.07523	1.0
201.05452	2.2
202.06313	1.0
203.07053	13.4
204.07385	1.1
205.05000	5.6
206.05463	1.0
207.14027	0.9
208.03720	0.9
208.43254	0.8
209.05978	2.2
209.11731	1.0
221.08092	2.3
221.10191	1.0
221.15514	1.0
223.06081	11.0
225.05391	0.9
226.06168	1.1
227.07068	3.3
229.04802	1.5
235.51535	0.8
243.06552	0.9
245.08173	13.7
246.08376	1.4
247.05951	0.9
249.14932	1.1
253.04993	4.5
256.03757	1.9
265.14413	19.0
266.14862	1.4
270.05240	1.3
271.06113	45.3
272.06430	3.6
277.11542	1.5
277.14456	27.3
278.14706	1.5
288.06198	1.0
289.07175	52.2
290.07434	3.8
303.77618	0.9
313.09143	1.2
327.10678	2.1
330.51431	0.8
341.23340	1.0
355.15387	1.3
355.24890	5.4
357.26740	1.2
371.18506	6.4
372.18945	1.2
373.26260	1.2
385.22122	1.4
415.17657	13.7
416.17862	1.0
433.11423	13.3
434.11359	1.0
439.19751	7.1
440.20078	1.4
451.12430	23.5
452.12622	2.7
528.17444	1.1
533.24396	0.9
577.25720	16.1
578.26471	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	577.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74789	0.2
59.01248	72.9
60.01591	1.0
61.98693	0.5
66.25841	0.2
82.41891	0.2
82.80164	0.2
83.11997	0.2
89.02332	0.3
95.90234	0.3
105.27253	0.2
107.04840	0.2
109.02831	0.8
119.04907	0.7
121.02869	0.8
133.02876	0.3
135.04405	0.7
137.02371	3.0
138.03117	0.7
145.20168	0.2
151.03896	1.7
161.02368	0.8
161.04507	0.4
161.05983	0.4
163.03912	1.0
164.04633	0.3
175.00215	0.3
175.03922	0.3
177.05426	0.3
179.07063	0.3
190.02623	1.0
205.05045	1.0
219.06787	0.3
239.07054	1.0
251.07118	0.4
269.08270	0.3
271.09671	1.9
283.09848	1.4
307.36075	0.2
309.11472	1.2
310.11261	0.3
325.10864	0.5
339.12335	0.4
340.13126	37.2
340.50787	0.3
341.13467	5.4
341.23132	0.3
355.15475	100.0
356.15823	12.9
356.20349	0.4
398.06363	0.4
415.07007	0.8
548.68500	0.2
577.26617	1.3
578.26532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52032	0.8
55.76381	0.7
57.03317	11.4
59.00955	1.5
59.01247	26.6
61.98699	4.1
69.03332	1.6
71.01252	15.9
72.99194	1.4
73.02817	2.8
75.00758	1.1
78.95783	1.1
81.03326	4.4
83.01254	7.5
83.04907	1.1
85.02828	4.6
87.00765	1.9
89.02315	13.2
93.03349	2.4
95.01273	1.7
95.04922	2.0
96.95833	1.0
97.02845	4.0
97.93061	1.3
99.04401	1.3
101.02314	12.3
109.02845	13.9
111.00740	1.2
113.02345	4.6
114.93292	19.5
115.00272	1.7
115.74937	0.8
117.03339	1.6
119.03391	7.5
119.04920	3.0
121.02841	2.3
123.04401	6.7
125.02332	100.0
126.02657	2.5
131.03391	2.2
133.02831	3.0
134.03644	1.3
135.04411	5.3
137.01268	2.0
137.02336	37.1
138.02780	0.8
139.03889	2.8
143.03403	1.5
143.10670	4.4
145.02849	29.0
146.03545	2.9
149.02341	15.6
150.03065	1.3
151.03925	3.8
159.03233	0.9
159.04408	6.4
160.01576	2.8
160.05067	1.0
161.02350	9.8
161.04460	3.6
161.05980	6.3
162.03107	1.6
163.03897	3.3
164.01091	1.7
165.01862	6.0
165.05478	3.5
167.03397	2.3
171.10167	0.8
174.03137	1.6
174.09888	0.8
175.03914	7.6
175.07567	0.9
176.36786	0.8
177.05443	0.9
179.03423	5.1
179.05537	3.5
183.04468	1.2
184.05151	0.9
185.06010	5.7
187.03917	7.0
188.04652	1.8
189.01880	1.1
190.02654	1.7
191.03374	1.0
193.04996	0.9
198.54990	0.9
201.05507	2.7
202.06207	0.8
203.07059	10.4
204.04138	0.8
205.05005	4.8
209.06030	1.4
209.11641	1.0
209.18970	0.8
211.03918	1.1
212.04625	1.2
219.06578	1.4
221.06615	2.9
225.05487	1.0
227.07042	4.9
229.04944	1.7
229.69609	0.9
235.13300	1.5
238.06375	5.5
245.08194	13.7
251.16635	1.1
253.05064	5.9
253.18060	32.1
254.18399	2.4
265.14569	4.0
270.05063	1.1
271.06113	92.2
272.06427	7.8
277.14435	2.2
289.07178	71.2
290.07471	5.5
293.08847	0.9
295.06107	1.7
315.97223	0.9
323.09918	3.7
341.23291	2.1
371.18582	6.0
385.22351	1.5
389.28476	0.8
397.16760	1.7
415.06073	1.3
415.17624	17.1
416.17926	2.9
433.11353	4.3
451.12546	2.9
461.11096	1.3
517.30011	1.1
559.21625	1.6
577.25250	6.1
578.22772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1358
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03323	12.5
59.01255	1.8
65.03828	1.2
69.62514	2.5
69.62921	5.2
71.01259	2.2
75.00745	3.3
81.03318	2.4
83.01259	3.2
85.12757	1.0
93.03329	3.8
95.04914	1.8
97.02802	2.8
108.01988	1.3
109.02837	22.7
113.40356	1.3
115.00316	2.3
119.04916	3.1
121.02857	3.9
122.03603	1.5
123.04397	9.6
125.02332	100.0
126.02661	1.9
133.02864	3.3
135.02881	18.6
135.04407	8.7
137.02344	15.3
139.03854	3.1
145.02852	2.0
149.02318	5.7
149.55176	1.4
150.03154	2.4
151.03922	11.7
158.29634	1.1
159.04414	5.0
160.05289	1.5
161.01085	2.0
161.02354	26.8
161.06003	3.3
162.03123	2.7
163.00275	2.4
163.03900	4.5
164.01022	2.2
165.01852	3.3
167.03416	1.6
173.05946	1.4
175.03912	9.8
175.07509	1.8
177.01845	5.4
177.05470	2.4
179.03430	13.3
185.05965	1.5
187.03885	6.9
188.04587	2.3
201.05568	2.1
203.03542	1.9
203.07060	7.9
204.07332	1.3
205.04959	5.8
211.03970	1.5
221.08177	1.5
225.05356	1.8
227.03519	1.3
227.07117	2.9
228.04243	1.6
229.05016	2.7
231.03021	1.4
231.06641	1.6
243.02937	3.1
245.04483	5.1
245.08119	9.5
247.06061	1.6
255.02959	7.0
255.10287	7.7
256.03693	4.0
257.04514	3.0
269.04538	1.5
273.04022	6.2
281.04553	3.6
285.04044	1.8
287.05603	9.0
289.07166	76.2
290.07547	5.9
299.05594	8.2
299.08948	2.2
299.90073	1.2
329.06345	2.4
339.08734	3.5
343.08139	4.6
381.09772	4.4
407.07684	73.0
408.08069	7.1
425.08786	25.1
426.09106	3.4
451.10315	13.4
452.10669	1.9
461.10764	6.5
502.74289	1.3
559.12585	2.7
577.13336	9.3
578.13818	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	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	12.3
58.03632	0.4
59.01245	2.7
61.98688	0.7
62.25250	0.4
69.03326	0.8
71.01258	1.6
72.99181	0.7
75.00752	1.2
81.03336	1.5
82.08981	0.4
83.01266	3.4
83.04877	0.5
85.02810	1.0
87.00736	0.9
87.41464	0.5
89.02315	1.6
93.03333	2.0
95.01289	1.0
95.04903	2.0
96.95892	2.4
97.02821	3.5
101.02311	0.8
107.04909	0.8
108.02023	0.9
109.02837	15.6
111.00772	0.9
113.02364	0.7
115.00249	0.5
117.03326	0.9
119.04934	0.6
121.02844	3.5
122.03680	0.9
123.00779	0.5
123.04408	10.7
124.01601	0.5
124.04752	0.6
125.02332	100.0
126.02663	3.1
131.03384	0.5
133.02843	3.1
135.02892	2.7
135.04408	2.5
137.02344	18.7
138.02834	0.7
139.03931	2.4
143.49403	0.5
145.02892	0.8
146.03630	1.2
147.04433	1.0
149.02350	4.6
149.04384	0.8
150.03120	1.5
151.03906	10.9
159.04419	2.9
160.05186	0.7
161.02347	23.6
161.04518	1.0
161.05927	3.1
162.03047	2.1
163.00287	1.5
163.03912	2.5
164.01065	4.5
165.01852	3.7
167.03397	1.4
173.04562	0.5
173.06021	1.1
174.03204	0.4
175.03909	7.2
175.07567	1.2
176.04245	0.5
177.01868	4.6
177.05498	1.3
179.03416	5.0
179.05070	0.4
179.05574	0.4
185.05989	1.0
187.03929	5.5
188.04689	2.1
189.01843	0.9
189.05324	0.8
190.02641	0.6
191.03423	0.5
191.05473	0.9
193.05089	0.5
199.03998	0.4
199.07617	0.7
201.05557	1.1
202.06219	1.2
203.03407	1.1
203.07069	7.0
205.01361	1.8
205.04997	5.3
211.04001	0.7
212.04692	0.8
213.05496	1.1
213.32089	0.4
214.02670	0.9
215.03423	1.0
216.04002	0.6
217.04968	1.1
217.08669	0.5
219.02940	0.4
219.06560	0.5
221.08107	1.0
225.05470	0.7
226.06303	0.4
227.03413	1.1
227.07101	1.4
228.04222	0.7
229.01401	0.6
229.05017	2.3
230.05746	0.9
231.02980	1.0
243.02925	2.3
243.06589	1.1
244.03445	0.5
245.01027	0.5
245.04504	3.5
245.08145	8.7
246.04863	0.5
246.08528	0.9
247.06081	0.8
253.05037	1.1
253.08797	0.5
255.02948	5.3
255.05679	0.5
255.10258	0.6
256.03690	3.6
257.04492	1.2
269.04562	1.8
270.98901	0.8
271.06076	0.9
273.00571	1.3
273.04044	5.6
274.01257	0.9
274.04462	0.5
279.06583	0.6
281.04691	2.3
283.02368	1.0
284.03171	0.7
285.04028	1.9
287.05655	8.2
288.05878	0.6
289.07169	59.4
290.07498	4.8
297.04224	0.6
297.07669	0.6
298.98309	0.7
299.05560	6.4
299.99063	1.5
300.05838	0.7
300.99930	1.0
329.06723	0.8
330.69467	0.5
331.08127	0.6
339.08792	3.3
343.08176	0.6
369.09674	0.4
381.09637	1.9
397.05643	3.3
407.07678	45.2
408.08038	5.9
425.08722	16.5
426.08932	1.9
451.10309	9.7
452.10785	0.9
480.05420	1.0
559.12201	0.9
577.13135	6.8
577.21289	0.8
578.13928	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	577.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	15.4
58.03642	0.5
59.01244	1.5
61.98693	1.2
71.01253	2.4
71.50469	0.8
71.72505	0.5
72.64323	0.6
72.99183	0.7
75.00742	3.6
78.95757	0.5
81.03336	1.0
83.01254	4.1
83.17966	0.7
85.02821	0.9
86.49814	0.5
88.98663	1.7
89.02322	1.2
89.74072	0.6
93.03345	2.7
95.01263	0.7
95.04908	1.9
96.95885	2.1
97.02831	3.0
101.02319	1.0
105.03392	0.7
107.04919	1.1
108.02058	1.2
109.02834	15.8
115.00251	2.0
117.03360	1.0
119.04887	3.8
121.02825	2.7
122.03616	1.1
123.04398	9.1
125.02330	100.0
126.02657	2.7
133.02823	4.2
134.03416	0.6
135.02901	8.4
135.04411	11.2
136.04738	1.0
137.02335	19.1
138.02763	0.7
139.03905	2.5
143.04895	0.9
145.02805	0.9
145.25221	0.6
146.03529	0.6
147.04388	1.5
149.02390	5.1
149.04443	1.3
150.03088	1.2
151.03912	11.2
159.04402	2.4
160.05130	1.2
161.02348	21.8
161.05965	3.0
162.02930	1.4
163.00287	1.7
163.03914	4.7
164.01065	3.6
164.04590	0.6
165.01854	3.9
167.03378	1.3
167.88347	0.7
173.05919	0.7
174.02989	0.8
175.03912	7.5
176.01140	0.6
177.01846	4.7
177.05510	0.9
179.03406	9.2
180.03534	0.6
185.02263	0.7
185.06020	0.9
187.03923	6.6
188.04694	2.4
189.01833	0.8
189.05469	0.9
190.02615	1.1
201.05583	1.0
202.06187	1.4
203.03448	1.1
203.07057	7.8
205.01358	2.7
205.05031	5.1
211.03951	0.7
213.05557	1.4
214.02759	1.0
215.03378	1.3
217.05000	1.7
219.06656	0.7
221.08258	1.4
225.05554	0.8
226.06213	0.7
227.03455	0.7
227.07108	1.5
228.04175	0.7
229.01424	0.9
229.05057	2.2
231.02992	1.3
243.02991	2.4
244.03601	1.0
245.00774	0.9
245.04584	3.6
245.08131	8.3
247.06053	1.3
253.08727	1.1
255.02965	4.7
255.10222	8.2
256.03680	2.4
257.04562	1.1
269.04523	1.6
270.98752	1.7
273.00427	1.2
273.04025	3.6
274.01163	1.7
275.02014	1.4
279.06769	1.0
281.04526	2.5
283.02380	1.3
285.04065	1.2
287.05582	6.8
289.07156	47.0
290.07608	3.2
297.03891	0.9
297.07581	1.0
298.98480	1.1
299.05554	5.6
299.08942	1.3
299.99106	2.4
300.99832	3.2
327.08755	1.4
329.06699	1.0
331.08350	0.8
339.08527	2.8
343.08112	1.7
381.09857	2.0
397.05728	3.3
407.07669	35.1
408.08145	4.4
425.08762	15.2
426.08981	1.5
451.10321	8.3
452.10782	1.4
461.10849	6.9
462.11188	1.1
480.05487	4.3
555.69513	0.7
559.13153	0.6
577.13208	7.7
578.13617	0.9
601.09766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60648	0.3
59.01247	20.2
61.98669	0.3
64.51952	0.2
71.01250	0.5
71.57916	0.2
78.60239	0.3
78.95771	6.8
98.20673	0.5
100.68303	0.3
103.81196	0.3
128.59840	0.2
136.23160	0.3
150.53722	0.3
152.24831	0.3
152.99495	1.4
165.05890	0.2
168.04256	1.7
197.33578	0.3
224.06868	0.9
242.07974	3.1
267.40381	0.3
267.91983	0.3
275.20154	0.4
277.21704	100.0
278.22046	10.2
316.50687	0.3
325.05930	0.3
447.36023	0.3
502.29355	29.9
503.29648	5.7
515.82373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	12.2
66.66019	0.9
70.01780	4.2
74.88926	0.8
75.00758	1.4
81.03318	2.0
82.46248	0.9
83.01260	3.6
84.75346	0.7
88.55760	0.9
93.03350	2.2
95.04889	1.3
96.52945	0.9
97.02827	3.4
107.04874	1.1
109.02137	1.7
109.02829	17.9
111.25311	0.9
114.96175	0.9
118.48685	0.9
120.17738	1.1
121.01813	0.7
121.02825	3.0
123.04390	13.4
125.02327	100.0
126.02669	3.2
133.02855	3.6
135.02913	4.3
135.04416	4.1
137.02341	19.0
139.03873	2.7
145.02791	1.7
146.03636	0.9
147.04445	1.2
149.02380	4.8
150.03102	1.7
151.03886	12.3
159.04396	2.6
160.05113	1.1
161.02348	26.2
161.05936	3.5
162.03064	2.0
163.00250	2.5
163.03934	4.6
164.01036	4.0
165.01852	5.3
167.03433	1.7
174.03183	1.0
175.03920	9.5
175.07442	1.3
177.01782	5.2
177.05515	1.4
179.03421	7.2
185.05960	1.0
186.47748	0.9
187.03914	6.4
188.04646	3.0
189.05534	1.1
199.03838	1.2
200.04749	1.2
201.05501	2.1
202.06180	0.9
203.03476	2.0
203.07059	9.1
205.01364	1.9
205.04977	7.3
212.04898	1.0
213.05481	2.0
214.02722	1.1
215.03438	1.6
215.07086	1.3
217.04988	1.8
219.06432	0.9
221.08142	2.7
227.03477	1.4
227.07121	2.5
229.04961	2.9
231.06509	0.9
243.02953	3.9
243.06551	1.2
245.04503	5.1
245.08099	12.2
247.06154	1.3
253.05023	1.0
255.02942	8.8
255.10266	2.6
256.03653	5.2
257.04428	2.6
265.77185	1.0
269.04614	2.4
273.04019	5.0
281.04404	4.1
283.02460	2.0
285.04065	3.1
287.05554	7.3
288.02655	1.1
289.07156	64.9
290.07574	5.3
297.04199	1.4
299.05685	7.7
300.06009	1.2
329.06683	1.9
339.08691	3.6
381.09766	2.5
389.06561	1.0
407.07672	61.4
408.07986	8.4
425.08759	21.4
426.08813	2.2
451.10266	10.7
452.10635	1.8
558.32587	0.9
559.12311	1.1
577.13391	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57853	0.4
57.53816	0.4
59.01248	30.4
61.98691	0.6
70.06992	1.9
71.01248	0.8
72.99197	0.6
75.00744	0.8
78.95775	27.8
80.96371	0.8
96.96819	0.7
98.19777	0.5
101.02378	0.6
110.80276	0.5
134.75763	0.4
152.99503	4.8
168.04219	4.1
224.06871	11.7
225.07265	0.5
233.22809	0.5
242.07956	3.0
277.21704	100.0
278.22037	9.0
328.09030	0.6
341.98218	0.5
502.29382	70.9
503.29779	9.2
577.26154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
61.98700	100.0
69.48410	2.5
80.96367	0.4
85.70691	0.3
92.37069	0.3
180.65594	0.4
192.52583	0.4
209.11845	1.1
278.22495	0.4
576.36053	0.4
577.27338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.7
60.10708	0.1
61.98702	100.0
62.98409	0.3
71.01256	0.4
78.95763	0.2
79.95615	0.3
80.96389	2.3
85.02911	0.2
87.00738	0.8
88.00290	0.5
88.98678	0.6
89.02311	0.9
90.21798	0.2
92.24638	0.2
94.97967	0.5
105.50652	0.1
117.49646	0.1
125.02321	0.1
134.97536	0.1
142.96707	0.2
148.99094	0.2
152.98528	0.2
164.98540	0.3
168.00569	0.1
178.86557	0.1
187.46478	0.1
209.11723	0.6
225.00691	0.4
227.12921	0.1
277.21619	0.7
278.22122	0.9
278.78445	0.1
279.22455	0.5
280.22751	0.3
293.21201	0.1
381.57019	0.1
442.10538	0.2
443.10815	0.2
551.87701	0.2
577.26855	3.2
577.33612	0.2
591.30225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.3
57.03316	1.7
58.00487	0.6
59.01250	40.1
60.01576	1.0
61.56833	0.6
61.98701	100.0
62.71413	0.7
62.98402	0.6
69.03326	0.6
69.21886	4.5
69.22296	1.1
70.01473	0.6
71.01254	28.3
72.08978	0.6
72.99190	1.9
73.02820	8.6
75.00770	0.7
78.95776	4.8
83.01250	4.5
85.02820	14.0
87.00761	0.9
88.98682	1.7
89.02319	6.2
95.01265	2.1
97.02828	1.0
97.03801	0.5
98.20604	1.1
99.00759	4.5
101.02322	25.9
102.02633	0.9
111.00805	0.9
111.04478	0.6
113.02333	10.8
113.03091	1.0
117.46518	0.5
118.21456	0.6
119.03417	1.4
120.06820	0.5
121.71539	0.7
125.02380	1.6
131.03389	22.4
135.04483	0.8
143.03378	1.6
143.56322	0.6
149.04517	0.8
152.99538	2.2
159.02939	3.5
159.04056	0.6
161.02385	0.7
161.04472	12.1
175.03963	1.1
179.03365	1.0
209.11897	1.8
211.13412	2.5
251.16510	0.7
287.63293	0.6
383.24365	51.9
384.24692	5.9
395.08969	0.7
427.23599	1.6
515.28552	18.5
516.29047	2.9
575.27356	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	576.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
59.01252	3.0
61.98701	100.0
62.98389	0.1
71.01254	1.6
72.99198	0.2
73.02814	0.6
75.00744	0.2
83.01257	0.2
85.02834	0.6
87.00745	0.3
87.04424	0.1
89.02314	0.8
91.01778	0.1
93.03448	0.1
93.21499	0.1
94.37609	0.1
94.74837	0.1
95.01276	0.1
96.95913	0.1
97.02822	0.2
99.00796	0.2
99.04453	0.1
101.02319	1.0
109.02834	0.2
113.02341	0.4
117.03333	0.1
119.03444	0.3
119.04903	0.5
121.02865	0.2
123.04400	0.2
125.02334	0.7
131.03421	0.1
133.02849	1.2
134.03625	0.2
135.02904	0.2
135.04419	0.5
137.02350	0.2
139.11229	0.1
145.02853	0.2
147.04378	0.1
149.02411	0.5
149.04482	0.2
151.00319	0.1
151.03844	0.2
160.01579	0.2
161.02350	3.5
161.04506	0.3
162.02745	0.1
163.03914	0.7
164.04646	0.4
165.01863	0.2
166.02390	0.1
169.01390	0.2
174.03162	0.7
174.04507	0.1
175.00301	0.4
175.03923	4.0
176.04259	0.3
177.01810	0.2
177.84013	0.1
179.03476	0.3
179.05623	0.2
181.04849	0.1
183.10162	0.5
187.03976	0.2
189.01886	0.3
190.02615	1.1
191.03177	0.4
191.05508	0.1
193.05025	0.1
202.76607	0.1
205.04993	1.1
206.05537	0.5
208.03621	0.1
209.11888	0.2
221.08212	0.2
221.15472	0.1
223.06027	0.8
224.06569	0.3
227.03459	0.1
227.12961	0.1
229.05174	0.1
235.06152	0.1
237.07678	0.1
241.04764	0.1
244.33006	0.1
247.06090	0.1
251.16510	0.5
252.16824	0.2
253.18143	0.2
262.00284	0.1
265.07153	0.9
266.07599	0.4
271.15704	0.1
289.07330	0.2
295.08316	0.7
296.08792	0.2
301.00037	0.2
325.09259	0.7
326.09735	0.4
337.09332	0.1
341.10678	0.1
349.41769	0.1
461.08313	0.3
490.22614	0.1
512.76001	0.1
575.30432	0.4
576.26062	0.4
576.31580	0.2
577.26727	3.0
597.46741	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31328	0.6
55.01736	1.0
57.03311	2.0
58.00455	1.6
59.01250	63.2
59.98391	0.6
61.98700	14.8
64.60847	0.7
65.00180	1.0
68.27965	0.6
69.03322	2.7
69.55315	2.5
69.55724	1.7
71.01251	39.1
71.04879	2.3
72.99188	3.5
73.02814	7.8
75.00764	3.5
81.03310	1.3
81.06949	1.1
83.01273	3.9
83.04890	0.9
85.02820	8.4
87.00745	4.7
88.98672	0.9
89.02313	39.6
93.03329	1.3
95.01250	2.6
95.04882	1.4
96.95881	2.4
97.02841	4.3
97.06485	0.6
98.20528	1.4
99.00735	2.7
99.04391	4.7
101.02321	26.6
102.02640	0.9
108.02037	1.2
109.02855	1.0
111.00730	1.9
113.02330	17.6
114.02684	0.8
117.01824	0.6
119.03390	20.5
119.04858	7.1
121.02858	3.9
121.06483	0.6
121.10105	1.7
123.04446	0.9
124.01532	0.7
125.02327	18.5
126.02650	0.7
126.90253	1.3
131.03391	3.7
133.02844	1.5
134.03596	0.8
135.02859	2.6
135.04434	3.7
137.02298	1.9
137.05959	0.6
137.09570	1.4
139.00150	0.7
139.03882	1.6
139.11169	1.8
140.07037	0.6
143.03391	5.2
145.02849	1.7
147.04324	0.8
149.02289	1.1
149.04419	3.0
152.01033	0.9
153.05486	0.9
159.02888	0.9
161.02380	4.5
161.04453	8.9
161.05719	1.1
163.03964	4.5
165.01840	10.9
166.11601	0.6
167.03473	1.2
169.01398	1.0
173.04411	0.8
174.03075	1.0
175.00526	0.6
175.02585	0.7
175.03906	5.1
177.05464	0.7
179.03275	1.0
179.03764	0.8
179.05528	12.9
181.08589	2.9
183.10211	5.0
185.11681	1.0
187.09689	1.5
189.16342	6.9
190.02557	1.1
191.05531	0.8
193.01401	1.2
193.04971	1.2
205.05003	1.8
207.17490	1.3
209.11769	1.5
220.53799	0.6
221.06593	9.9
225.14786	0.8
227.12846	3.3
233.00888	0.7
245.06689	1.4
249.14981	0.7
251.16496	100.0
251.99675	0.6
252.16840	8.0
253.08679	0.9
263.07675	3.3
275.16660	1.2
289.07126	1.4
295.02438	1.7
299.99304	0.7
300.02719	1.4
308.03244	0.8
309.03870	0.9
315.01443	0.9
315.05109	13.9
316.05545	1.3
323.09796	15.1
324.10095	1.3
331.17563	1.4
341.10849	7.0
349.18646	1.8
353.23270	1.9
356.89398	0.6
368.49194	0.7
423.00128	1.5
457.15063	0.7
460.07831	3.8
495.09329	7.2
496.09534	1.6
503.13388	1.2
512.13110	1.0
557.28894	1.1
575.05737	1.3
575.30469	9.5
576.31238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
55.61057	0.6
57.03307	1.6
59.01249	31.4
60.01585	0.9
61.45321	0.7
61.98706	9.2
71.01254	16.0
72.99190	1.5
73.02815	3.2
75.00732	1.7
83.01239	1.4
85.02816	5.2
86.58193	0.7
87.00756	1.8
87.04359	0.8
89.02323	8.2
91.01759	1.1
93.03322	2.3
95.01250	0.9
96.95896	1.7
97.02841	0.8
99.00737	1.3
101.02324	8.9
107.04903	0.9
113.02326	6.3
117.03297	0.7
119.01286	7.0
119.03395	2.8
119.04914	5.6
121.02845	5.0
121.06430	1.3
123.04393	1.6
125.02343	3.9
131.03380	0.9
133.02821	1.4
134.03612	2.2
135.02884	1.8
135.04443	3.8
135.52635	0.7
137.02325	2.3
137.09621	5.7
138.71796	0.7
143.03365	1.4
145.02890	1.0
147.00763	6.2
147.04390	1.3
148.01465	1.0
149.02341	19.7
149.04277	0.8
150.03098	1.4
151.03931	1.4
152.01082	1.2
153.01883	0.7
158.11772	1.3
161.02379	5.2
161.04474	3.9
161.05736	0.7
163.03932	7.9
164.04709	17.3
165.01822	2.5
165.05368	1.1
167.03394	1.2
169.01196	0.9
174.03104	1.9
175.00287	38.6
175.03830	3.4
176.00739	2.8
177.01929	1.3
177.05493	1.1
179.05586	1.2
179.07042	4.3
183.02957	0.7
183.10175	2.9
189.01776	1.7
190.02638	100.0
191.03065	6.5
193.01370	2.2
194.02162	0.8
197.11787	1.0
203.03642	1.0
203.07135	1.9
205.05003	82.2
206.05499	6.9
206.55278	0.7
207.02852	1.0
207.06569	0.8
208.03656	3.1
209.04474	2.8
209.11789	1.4
221.08090	3.4
223.06075	33.4
224.06410	1.9
229.76151	0.8
233.00873	2.7
237.07675	2.2
247.06096	1.9
251.05627	2.3
251.16534	2.2
265.07147	36.3
266.07477	2.4
295.02637	1.1
295.05042	1.5
295.08221	21.7
296.08588	2.0
311.07935	1.0
322.04816	1.1
325.09277	32.7
326.09613	2.3
331.17575	2.9
334.04587	0.9
341.10831	1.8
367.10309	1.8
377.10211	2.3
381.61157	0.8
385.11386	9.2
386.11621	1.6
413.16031	0.9
460.07904	2.8
461.08237	1.2
462.09726	0.9
503.13510	2.6
513.09387	0.8
574.32080	1.6
575.24896	39.5
575.32404	8.5
576.24933	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	575.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62641	0.3
55.01756	0.6
57.03325	0.8
58.00456	0.5
59.01247	100.0
60.01593	1.1
61.98698	9.5
69.20554	0.7
69.20953	3.7
71.01248	8.1
71.04893	0.7
72.99176	0.8
73.02812	6.3
75.00743	1.1
77.42268	0.4
78.95779	5.3
81.03318	0.4
81.38504	0.3
83.01266	0.7
85.02815	2.3
87.00772	0.7
87.04389	0.7
88.98697	0.6
89.02316	4.5
95.01234	0.6
96.95910	1.3
96.96854	0.5
97.02819	0.8
98.19810	0.7
98.95469	0.4
99.00787	0.7
101.02313	4.9
109.02837	0.8
111.04411	0.3
111.91544	0.4
113.02322	5.0
115.05447	1.4
117.03357	0.7
117.21949	0.3
119.03397	2.5
119.04948	1.4
121.02866	0.4
125.02319	1.7
131.03481	0.4
131.04910	3.5
133.02867	1.4
133.06487	2.0
135.02895	0.9
135.04442	1.9
139.11182	0.4
143.03401	0.4
143.04919	0.4
145.02898	0.8
145.06531	1.1
147.04411	35.3
148.04729	1.8
149.02402	1.0
150.03154	0.4
151.03938	0.4
152.99495	6.1
159.04408	0.5
160.01518	0.4
161.02365	3.9
161.04572	3.1
161.05972	34.3
162.06288	1.8
163.03885	0.9
164.04723	0.9
165.01810	0.5
167.03304	0.3
173.05956	0.6
174.03073	0.4
175.00337	1.1
175.03902	3.1
175.07509	0.5
177.01817	0.4
179.03406	0.9
181.05055	0.7
183.10269	0.4
186.64761	0.4
187.07707	0.5
187.09731	1.8
189.03772	0.8
189.05487	16.6
190.02617	2.6
190.05870	1.2
201.11285	0.7
205.05058	2.4
209.11876	1.1
211.13370	0.6
212.04501	0.4
213.09116	0.6
219.06627	1.3
223.06079	1.0
237.07704	0.6
237.09801	0.6
243.06467	0.4
249.07671	1.9
251.16658	0.5
265.07275	0.9
308.03387	0.8
315.59476	0.4
325.09546	0.4
331.17517	0.7
343.11151	0.4
345.04257	0.7
353.23557	1.3
355.24789	0.5
401.78317	0.4
413.21518	0.6
460.08154	0.7
537.23712	0.5
575.24982	2.8
575.32788	3.8
576.29987	5.0
604.35321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.07
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01250	8.9
61.98703	2.4
65.00177	0.2
66.91318	0.2
69.19740	1.3
69.20150	0.3
71.01250	3.0
72.99176	0.4
73.02818	1.2
75.00745	0.7
79.95606	2.5
81.03371	0.1
83.01253	0.4
83.04881	0.2
85.02817	1.2
87.00741	0.7
87.04373	0.5
89.02313	2.8
93.03330	0.3
95.01262	0.2
95.04887	0.2
96.95885	100.0
97.02823	0.3
97.95824	0.4
99.00756	0.3
99.04396	0.3
101.02318	2.3
108.02023	0.6
109.02838	0.5
113.02331	1.2
119.03407	1.3
119.04909	2.6
119.95246	0.1
121.02875	0.3
122.03613	0.2
123.00777	0.2
123.04409	0.3
124.01516	0.2
125.02349	0.8
129.57628	0.1
131.03410	0.3
133.02859	0.2
134.03629	0.2
135.02896	0.8
135.04385	0.4
139.11227	0.2
142.71118	0.1
143.03456	0.4
145.02852	0.1
147.04411	0.2
149.05930	0.2
151.00253	0.3
152.01089	0.6
153.01811	0.3
161.02432	0.6
161.04478	0.8
161.09586	0.1
163.03902	1.9
163.07539	0.5
165.01830	0.4
165.05492	0.1
167.03438	0.4
167.07022	0.2
169.01285	0.3
174.01692	0.2
174.03215	0.1
175.03925	0.4
177.01855	0.2
178.02589	0.2
179.03459	0.2
179.05560	0.7
181.04947	0.2
183.10170	0.9
189.01846	0.2
190.02675	0.3
193.01358	0.2
201.11258	0.4
205.05057	0.4
207.06595	0.3
207.13644	0.2
209.11844	0.3
221.15332	0.3
227.12860	0.6
235.06032	0.2
249.15031	0.2
251.12659	0.1
251.16554	0.7
265.14383	0.6
271.02496	0.6
285.00458	0.2
287.14987	0.3
293.04514	0.2
295.02615	0.2
299.01855	0.8
300.02435	0.2
301.03513	0.4
314.04361	1.2
315.05139	0.6
324.99823	0.2
330.03928	0.2
331.17661	1.0
348.06525	0.6
349.18616	0.3
353.23260	0.2
363.08798	0.3
367.10461	0.3
369.11859	0.2
382.10443	0.2
395.11389	0.3
399.10818	0.5
404.99008	0.2
411.09470	0.4
413.21747	0.9
422.99832	1.3
457.15076	0.5
477.10333	1.6
574.30750	0.2
575.13348	0.2
575.29828	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	574.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53659	0.2
59.01253	4.2
60.01588	0.3
61.98703	100.0
62.79547	0.2
71.00050	0.5
71.01256	2.5
72.01528	0.2
73.02834	0.7
78.95779	0.3
79.58028	0.2
83.01285	0.3
85.02810	1.0
89.02308	1.8
95.65487	0.2
99.00751	0.4
101.02319	2.0
105.21114	0.2
113.02316	1.2
119.03410	0.6
131.03397	1.6
132.03758	0.3
149.04549	0.5
161.04504	0.9
175.03915	0.3
179.05577	0.4
185.32919	0.2
191.05669	0.3
206.43451	0.2
209.11844	0.2
225.03462	0.2
292.49509	0.2
338.04712	0.2
363.12488	0.3
381.22708	0.6
382.23123	1.4
383.24231	1.5
413.10489	0.4
419.44223	0.2
514.27625	0.7
515.28729	0.9
553.94763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35574	0.4
53.92269	0.3
54.90549	0.4
59.01247	16.2
59.60862	0.4
61.98692	1.5
70.30367	1.6
71.01257	3.5
73.02817	1.3
75.00729	0.8
75.34055	0.4
78.95775	0.4
85.02831	0.6
87.00762	0.5
88.28441	0.4
89.02322	3.3
94.18163	0.4
101.02326	3.2
108.53806	0.3
113.02312	1.6
119.03322	0.7
125.37713	0.4
161.04468	1.5
235.08116	2.0
253.09251	16.0
254.09738	0.9
275.19894	0.4
277.21710	100.0
278.22043	10.0
331.30798	0.5
455.41089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2916
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
50.62181	0.8
51.93567	1.0
55.01757	2.8
57.03317	3.4
58.00458	2.6
59.01251	100.0
61.98703	33.1
62.27820	1.0
62.64238	0.7
69.03323	1.0
70.53507	2.8
71.01254	58.0
72.01582	1.3
72.99193	4.2
73.02814	8.0
75.00734	0.9
78.95757	1.3
83.01257	4.9
85.02822	17.4
87.00764	4.4
87.30090	0.8
89.02319	67.4
90.02664	1.7
95.01262	2.8
97.02825	1.6
99.00752	5.4
101.02324	39.5
102.02681	1.0
113.02329	23.2
119.03392	30.6
119.04261	1.7
122.98850	1.0
125.02327	3.6
131.03395	37.7
143.03407	7.9
148.82085	0.9
149.04451	14.5
159.03017	1.0
159.04433	3.2
161.04478	14.7
174.03102	3.0
175.03935	2.6
177.01817	2.2
179.05539	16.8
179.07039	1.7
191.05574	6.9
208.39854	1.0
209.11919	1.1
215.37445	1.0
216.14758	1.0
262.22681	1.1
293.08884	1.5
299.99185	1.3
381.22797	35.7
382.23096	4.1
453.60312	0.9
513.19855	1.8
513.27002	25.1
514.27380	4.6
573.05005	1.5
573.25708	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	573.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
55.29176	0.3
58.00469	0.6
59.01248	26.6
61.98701	100.0
67.17151	0.3
69.03332	0.6
69.32909	0.3
70.53358	0.6
71.01251	17.9
72.99185	1.2
73.02821	4.6
75.00739	0.6
78.95753	0.3
83.01257	2.7
85.02821	7.6
87.00764	1.5
88.98691	2.4
89.01759	0.7
89.02314	13.2
95.01272	1.0
96.95877	0.6
97.02860	0.8
98.27967	0.3
99.00751	2.8
101.02322	12.6
101.68990	0.4
111.00803	0.4
113.02326	6.8
115.03941	0.5
119.03375	3.7
125.02355	1.3
129.01859	0.4
131.03386	10.4
133.28046	0.3
135.04443	0.4
143.03418	1.2
145.59454	0.3
149.04469	3.2
152.99504	0.4
159.02979	0.7
159.84497	0.3
161.02390	0.5
161.04463	6.1
162.04890	0.4
169.01335	0.3
173.04457	0.5
174.03185	1.5
175.03928	1.8
177.01903	1.1
179.03973	0.5
179.05507	2.8
191.05525	1.7
203.06905	0.4
209.11833	0.8
210.12305	0.3
217.05000	0.4
233.15443	0.6
293.08771	0.7
313.03635	0.4
329.03195	1.3
330.03909	0.6
381.22794	19.7
382.23367	2.0
425.22089	0.6
427.10440	0.5
467.11636	0.3
476.09863	1.2
513.27014	15.7
514.27209	2.3
573.27588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
56.76344	0.8
57.03312	2.6
58.00454	3.2
59.01247	100.0
61.98386	1.0
61.98700	17.8
69.03320	1.2
71.01250	54.0
71.07757	0.7
71.50868	1.5
72.01608	1.1
72.99166	3.7
73.02828	7.2
78.95765	3.0
83.01243	2.2
85.02820	12.7
87.00750	2.7
89.02316	79.9
90.02666	1.3
95.01241	1.4
96.95853	0.8
99.00733	6.5
101.02319	38.5
102.02688	1.3
113.02321	13.9
115.05411	1.4
119.03406	8.7
123.39824	0.9
125.02330	4.7
129.01816	3.6
129.99376	0.9
131.03394	54.0
132.03729	1.8
143.03345	2.3
149.04457	62.5
150.04726	1.9
159.04437	6.6
161.02284	1.1
161.04422	3.1
173.04465	1.8
174.03130	1.9
175.03915	3.1
179.05498	2.9
191.05531	45.0
192.05913	2.1
192.07707	0.9
207.10191	1.4
219.17197	0.9
251.07651	4.1
293.08548	2.3
321.42285	0.9
406.07236	1.0
513.26971	2.7
573.25403	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	571.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03346	1.3
58.00470	3.1
59.01249	100.0
60.01578	0.8
61.98702	41.8
71.01252	50.4
72.99173	4.0
73.02811	5.7
75.00747	0.9
78.95757	1.2
83.01270	4.5
85.02821	13.8
87.00748	6.8
89.02316	61.2
90.02678	0.8
95.01277	3.1
96.95886	1.4
97.02824	1.0
98.19798	2.2
99.00743	4.1
101.02321	35.6
102.02648	0.8
111.00771	1.0
113.02334	22.6
114.02716	0.9
119.03387	27.0
125.02363	2.9
131.03397	37.8
132.03793	1.0
135.04497	0.9
137.02379	1.5
143.03413	7.2
149.04488	7.8
159.04401	1.3
161.02382	1.3
161.04482	11.4
162.04834	1.1
169.01355	0.9
173.04521	0.9
174.03168	2.1
175.03943	4.4
176.89090	0.7
177.01924	1.6
179.05531	15.5
180.05994	0.7
191.05563	6.7
209.11664	0.8
233.06419	1.0
293.08731	1.0
301.05179	1.1
329.04636	3.6
347.05545	5.0
379.21240	31.9
380.21442	4.8
509.11169	2.5
511.25464	9.9
512.26190	2.0
571.25433	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	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.35095	0.4
50.47694	0.4
62.96290	0.5
69.79694	2.8
78.95776	62.9
96.96845	14.4
99.00751	0.9
107.27663	0.4
110.57571	0.4
134.98427	0.6
150.97963	1.1
152.99489	61.8
153.99808	1.3
223.00015	2.4
241.01147	35.8
242.01465	1.2
255.23267	76.2
256.23645	6.6
315.04895	10.1
330.53073	0.5
391.22519	6.2
392.22687	0.9
471.34610	1.2
562.13501	0.5
571.28864	100.0
572.29236	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	573.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.8
60.70524	0.6
61.98714	2.5
67.01748	0.6
69.45760	1.7
69.46183	2.5
71.01279	0.9
75.00768	1.7
85.02853	0.8
89.02338	1.3
93.03322	4.6
95.04888	0.9
96.95914	1.4
101.02349	1.0
105.03340	0.7
108.02056	0.7
109.02854	2.5
113.02363	0.9
121.02848	13.8
122.03637	12.6
123.04414	2.0
124.01547	1.1
125.02343	2.1
129.35547	0.6
132.02042	0.7
133.02855	2.0
134.03595	1.1
135.02899	3.3
135.04443	3.2
136.01582	1.7
137.02353	1.1
139.03900	0.6
147.04433	1.3
148.01492	1.0
149.02344	49.6
149.06012	1.1
150.03134	83.3
151.00406	0.6
151.03566	4.3
152.00970	0.6
153.05438	0.7
157.88968	0.6
161.02339	1.2
163.03920	0.9
164.04704	13.6
165.05486	100.0
166.06268	35.6
167.03503	0.8
167.07021	4.1
169.01416	1.5
175.03900	3.6
179.03430	1.3
180.04179	6.0
181.05040	1.6
181.08630	23.5
182.09006	1.6
183.02933	0.7
191.05559	1.5
192.12120	0.6
195.06560	68.7
196.06905	4.2
205.05014	0.7
225.05363	0.7
237.05460	0.9
242.05672	0.8
253.05028	0.8
266.05786	0.8
267.06558	1.9
269.08130	2.2
270.05383	0.6
270.08792	1.4
271.09698	0.7
285.07516	3.0
287.14893	0.7
298.08325	1.2
299.09247	2.0
300.02612	0.9
313.10825	4.1
314.11505	5.7
328.09525	1.4
329.10199	3.1
329.13889	23.1
330.14313	3.5
343.11844	32.0
344.12152	3.6
377.15985	2.4
391.14087	2.9
437.12073	0.8
525.21326	30.6
526.21674	5.9
543.02234	0.7
573.23041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91811	1.0
55.01750	2.0
57.03313	2.3
58.00465	2.8
59.01249	100.0
61.98700	47.9
71.01249	48.2
72.01592	1.2
72.99171	2.7
73.02815	6.6
75.00714	1.0
78.51440	1.0
83.01255	4.6
85.02827	11.4
87.00760	8.8
89.02313	67.3
90.02648	1.1
95.01266	2.2
96.95908	1.0
97.02811	1.1
99.00764	4.7
101.02316	35.2
113.02333	21.9
119.03378	25.5
125.02331	2.3
131.03395	33.0
137.02322	1.2
143.03389	7.0
149.04462	8.2
161.04456	10.9
174.03075	1.9
175.03944	4.4
179.05528	13.1
191.05432	5.4
229.92923	1.3
244.31337	1.0
254.94803	1.0
280.72086	1.2
301.04828	1.4
329.04605	6.4
347.05453	7.6
379.21188	32.0
380.21588	3.1
434.92099	1.3
509.10797	4.7
511.25555	10.8
512.25671	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	571.2728
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
51.10543	0.6
54.65178	0.6
61.98703	18.0
71.50500	0.8
73.00439	0.6
73.22851	0.6
75.20190	0.7
78.95782	0.8
86.24532	0.6
90.21116	0.7
99.00792	0.7
99.92464	9.5
100.92670	0.7
100.93255	3.0
115.91959	100.0
116.91972	4.7
116.92752	5.2
132.92236	1.3
139.03905	1.1
152.99451	1.0
214.11049	0.6
219.38705	0.6
235.82823	0.6
276.29025	0.7
293.20074	0.8
321.14932	0.7
471.34778	5.8
472.35025	0.7
473.35104	2.0
553.25708	0.8
571.27283	57.2
572.27740	16.4
585.25146	7.3
586.25269	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	571.2726
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
50.01959	0.4
61.70449	0.5
61.98695	0.5
65.98204	0.4
69.26722	4.9
95.15923	0.5
99.92455	29.8
100.92473	1.7
100.93244	2.2
101.58747	0.5
115.91956	94.9
116.91968	5.7
116.92731	42.6
117.92713	1.9
117.93511	2.6
132.92262	0.5
136.94661	0.5
139.54736	0.4
144.34158	0.5
194.87721	0.6
231.01686	0.5
276.79385	0.6
289.94635	0.5
304.04221	0.6
320.69427	0.5
407.57486	0.5
423.32425	1.5
425.34247	1.3
457.33362	0.5
471.34503	0.7
509.27344	1.5
523.25049	4.6
524.25641	0.9
541.26239	12.4
542.26733	2.7
553.26367	2.3
554.26654	1.0
571.27264	100.0
572.27527	26.1
573.25110	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	571.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.3
59.01247	93.1
61.92649	1.3
61.98701	46.1
62.73689	1.3
67.01767	2.0
69.03319	4.1
69.50437	10.5
70.07866	1.4
71.01254	20.4
71.07071	1.1
71.68725	1.1
72.99163	4.7
73.02817	11.1
75.00729	5.7
79.95605	2.3
81.03304	2.6
83.01245	9.7
85.02808	11.4
87.00752	5.2
87.04353	2.7
88.98685	1.8
89.02312	8.8
93.03323	4.5
95.01255	5.6
95.04899	6.1
96.95885	30.8
97.02810	4.8
98.20526	3.0
99.00755	3.8
101.02311	12.0
101.04150	5.0
107.01236	2.4
108.02050	3.3
109.02830	11.5
109.06481	1.7
111.00759	5.1
113.02291	7.7
118.82044	1.2
119.03397	2.7
119.04911	5.8
120.99519	2.9
121.02825	7.2
121.06491	1.5
121.10141	1.4
122.03594	4.4
123.00769	46.3
123.04410	8.9
124.01556	76.6
125.02338	100.0
126.02690	3.3
132.02045	1.5
133.02841	4.3
134.03555	2.4
135.02876	3.3
135.04420	11.9
135.98219	1.6
137.02348	8.0
138.03101	13.7
139.00246	5.4
139.03912	46.8
139.07562	1.8
139.99306	1.8
143.07002	1.4
147.04419	2.8
149.02316	8.6
149.05966	1.8
149.99495	7.7
150.03131	20.1
151.00235	3.4
151.03903	6.1
152.01070	9.7
153.01796	3.9
153.05444	2.2
155.01669	1.8
159.02881	2.2
159.04362	2.1
160.01527	3.1
160.44800	1.3
161.02330	7.8
161.04454	4.7
161.05768	2.2
162.03140	2.6
163.03920	19.6
164.04523	4.2
165.01839	7.1
165.05502	22.1
166.02550	3.1
166.06161	2.1
167.03381	5.0
167.07082	1.6
169.01346	8.9
173.02225	1.4
173.04440	2.9
175.00307	1.9
175.03860	5.0
176.01105	1.7
177.01852	14.4
177.05475	2.1
178.02542	4.0
179.03436	8.0
179.06877	1.7
180.04195	27.3
180.95921	1.4
181.04968	16.8
181.08607	9.1
182.02089	3.1
183.06572	2.3
183.10210	7.7
187.03894	1.6
189.01810	3.2
190.02678	8.5
191.03386	1.7
191.05519	3.2
192.04234	1.9
193.04945	4.1
195.06537	15.6
197.04492	6.9
197.96216	2.4
201.11436	1.6
203.05537	2.2
205.05019	9.0
207.06557	4.0
207.13687	3.3
209.04465	4.5
209.11848	7.2
211.04085	1.8
211.05890	1.4
217.01428	1.8
223.06035	2.1
225.03981	6.5
225.07562	3.9
225.11227	1.7
225.14839	10.4
227.12823	40.8
228.13103	2.1
229.01251	1.7
240.04170	3.1
241.05060	2.2
251.12939	2.2
257.08142	4.8
269.06522	2.1
269.13977	3.8
273.07645	5.8
283.08267	6.5
287.01996	2.4
287.07742	6.6
287.14960	5.2
289.07047	1.9
298.08307	4.1
300.99686	3.8
313.10632	3.0
321.04324	3.2
329.08810	1.5
339.05118	3.2
343.11600	4.9
365.06198	1.5
373.12701	4.3
375.04086	2.1
381.11697	1.8
387.08969	3.1
405.13794	2.1
409.13116	2.1
435.12964	3.3
471.18430	2.8
479.16669	1.7
553.22913	10.8
571.24042	81.1
572.24249	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	571.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.3
59.01247	93.1
61.92649	1.3
61.98701	46.1
62.73689	1.3
67.01767	2.0
69.03319	4.1
69.50437	10.5
70.07866	1.4
71.01254	20.4
71.07071	1.1
71.68725	1.1
72.99163	4.7
73.02817	11.1
75.00729	5.7
79.95605	2.3
81.03304	2.6
83.01245	9.7
85.02808	11.4
87.00752	5.2
87.04353	2.7
88.98685	1.8
89.02312	8.8
93.03323	4.5
95.01255	5.6
95.04899	6.1
96.95885	30.8
97.02810	4.8
98.20526	3.0
99.00755	3.8
101.02311	12.0
101.04150	5.0
107.01236	2.4
108.02050	3.3
109.02830	11.5
109.06481	1.7
111.00759	5.1
113.02291	7.7
118.82044	1.2
119.03397	2.7
119.04911	5.8
120.99519	2.9
121.02825	7.2
121.06491	1.5
121.10141	1.4
122.03594	4.4
123.00769	46.3
123.04410	8.9
124.01556	76.6
125.02338	100.0
126.02690	3.3
132.02045	1.5
133.02841	4.3
134.03555	2.4
135.02876	3.3
135.04420	11.9
135.98219	1.6
137.02348	8.0
138.03101	13.7
139.00246	5.4
139.03912	46.8
139.07562	1.8
139.99306	1.8
143.07002	1.4
147.04419	2.8
149.02316	8.6
149.05966	1.8
149.99495	7.7
150.03131	20.1
151.00235	3.4
151.03903	6.1
152.01070	9.7
153.01796	3.9
153.05444	2.2
155.01669	1.8
159.02881	2.2
159.04362	2.1
160.01527	3.1
160.44800	1.3
161.02330	7.8
161.04454	4.7
161.05768	2.2
162.03140	2.6
163.03920	19.6
164.04523	4.2
165.01839	7.1
165.05502	22.1
166.02550	3.1
166.06161	2.1
167.03381	5.0
167.07082	1.6
169.01346	8.9
173.02225	1.4
173.04440	2.9
175.00307	1.9
175.03860	5.0
176.01105	1.7
177.01852	14.4
177.05475	2.1
178.02542	4.0
179.03436	8.0
179.06877	1.7
180.04195	27.3
180.95921	1.4
181.04968	16.8
181.08607	9.1
182.02089	3.1
183.06572	2.3
183.10210	7.7
187.03894	1.6
189.01810	3.2
190.02678	8.5
191.03386	1.7
191.05519	3.2
192.04234	1.9
193.04945	4.1
195.06537	15.6
197.04492	6.9
197.96216	2.4
201.11436	1.6
203.05537	2.2
205.05019	9.0
207.06557	4.0
207.13687	3.3
209.04465	4.5
209.11848	7.2
211.04085	1.8
211.05890	1.4
217.01428	1.8
223.06035	2.1
225.03981	6.5
225.07562	3.9
225.11227	1.7
225.14839	10.4
227.12823	40.8
228.13103	2.1
229.01251	1.7
240.04170	3.1
241.05060	2.2
251.12939	2.2
257.08142	4.8
269.06522	2.1
269.13977	3.8
273.07645	5.8
283.08267	6.5
287.01996	2.4
287.07742	6.6
287.14960	5.2
289.07047	1.9
298.08307	4.1
300.99686	3.8
313.10632	3.0
321.04324	3.2
329.08810	1.5
339.05118	3.2
343.11600	4.9
365.06198	1.5
373.12701	4.3
375.04086	2.1
381.11697	1.8
387.08969	3.1
405.13794	2.1
409.13116	2.1
435.12964	3.3
471.18430	2.8
479.16669	1.7
553.22913	10.8
571.24042	81.1
572.24249	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	571.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.9
59.45897	0.6
61.98697	3.6
65.00182	0.6
68.40343	0.5
71.01266	2.0
71.28195	1.2
72.99205	0.7
73.55260	0.4
75.00768	1.2
75.99070	0.4
83.01287	0.6
85.02847	0.9
87.00762	0.9
88.94093	0.5
88.98691	0.6
89.02332	1.4
93.03342	4.2
95.01244	0.5
95.04876	0.8
96.95896	2.2
97.02856	1.2
101.02340	0.9
105.03305	0.5
108.02075	1.5
109.02841	1.7
109.66187	0.5
121.02837	7.4
122.03628	14.5
123.00761	1.5
123.04436	5.0
124.01577	1.1
125.02333	1.9
132.02066	0.7
133.02861	2.6
134.03641	1.9
135.02911	1.1
135.04411	3.9
136.01563	1.8
136.99068	1.5
137.02373	2.9
139.11208	0.7
141.01874	1.3
147.00961	0.5
147.04385	0.6
149.02341	27.3
149.05952	1.3
150.03127	96.2
151.03615	5.9
152.01035	1.4
154.02597	0.6
159.04410	0.6
160.01598	1.6
161.02322	1.5
161.54816	0.5
163.03894	1.2
164.01047	0.5
164.04691	4.6
165.01849	5.0
165.05475	100.0
166.05817	4.6
167.03372	0.6
167.07051	2.3
168.00507	0.6
169.01332	1.0
172.05241	0.6
175.00206	0.9
177.01828	2.4
179.03391	1.1
179.07066	1.3
180.04222	7.1
180.07771	3.3
181.04958	3.4
181.08511	0.7
182.05722	0.7
183.10220	1.2
190.02609	1.9
191.05515	0.6
192.04236	1.0
193.01312	0.8
193.08522	1.0
194.05727	0.6
195.06554	57.7
196.06873	3.7
197.05969	0.8
197.11803	0.7
197.96185	3.1
205.04930	1.2
208.07353	1.2
209.07904	0.8
212.04747	2.7
215.07007	0.6
223.05844	0.8
226.06171	1.2
227.03441	1.7
228.04236	2.5
231.10153	1.1
239.03308	0.7
239.07225	0.6
241.05145	1.0
241.08582	1.1
243.10188	1.2
253.05002	0.8
253.08501	0.7
254.05544	0.6
256.03711	5.0
259.09555	0.8
267.06589	1.3
269.08203	3.2
270.08835	0.7
271.06400	0.8
271.09656	3.5
281.07990	1.1
282.08844	1.1
283.09705	2.5
285.07632	1.2
286.08383	0.8
287.09158	1.2
297.07816	4.5
297.11194	0.9
298.08044	0.7
299.09100	2.0
299.12616	1.0
300.02719	0.7
309.07477	0.6
310.08344	1.4
311.06403	0.6
311.09311	7.0
312.09995	2.5
313.10684	0.7
314.07892	1.3
314.11340	0.8
315.04996	6.0
315.08591	5.5
316.09146	1.2
321.04175	1.7
325.10730	0.9
326.11505	2.5
327.08578	7.7
327.12262	6.7
328.09009	1.1
328.12619	1.2
329.10071	1.9
329.13815	2.1
330.11044	15.5
331.11496	2.5
340.09564	0.7
342.11017	2.7
343.11664	1.8
344.12375	1.4
345.13397	68.2
346.13721	6.8
357.13409	22.2
358.13614	2.7
375.10416	0.6
375.14523	6.6
432.11655	0.6
447.14505	1.2
449.15445	1.1
491.08234	2.8
492.08554	0.6
493.18649	12.4
494.19125	2.5
505.18204	0.8
523.19727	45.5
524.20013	7.3
541.20624	1.2
553.20343	0.8
571.12842	1.1
571.22266	10.0
572.22577	1.7
587.90192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21386	0.3
54.42243	0.3
59.01247	2.1
61.98701	2.0
63.77799	0.3
65.04825	0.3
69.19994	2.1
69.20419	1.1
71.01252	1.2
73.02814	0.9
83.01233	0.3
85.02795	0.5
89.02313	0.6
98.19847	0.6
98.33795	0.3
101.02293	0.3
107.19523	0.3
108.02043	0.4
109.02885	0.4
113.02357	0.4
125.02334	0.4
131.03413	0.4
145.02840	0.5
147.04407	1.4
149.02353	1.2
150.03088	0.6
152.47801	0.3
153.01903	0.3
157.02853	0.5
158.03639	16.7
159.04434	5.3
161.02313	0.3
163.03973	0.4
164.04646	1.0
169.01382	0.3
171.04424	2.2
173.02354	0.4
173.05997	0.5
174.03120	1.2
175.00296	1.4
175.03886	3.4
176.01041	1.1
177.01865	0.4
183.04433	0.4
184.05141	0.5
185.05882	0.5
189.01833	0.8
190.02625	3.0
191.03433	2.0
195.04428	0.5
195.56847	0.3
201.01831	0.9
201.05531	2.8
202.02647	100.0
203.03151	8.1
205.04987	2.3
208.03641	0.4
209.04506	0.4
213.05487	2.8
215.03358	0.6
216.04196	0.3
217.01411	1.2
218.02147	0.3
223.06110	2.1
227.03438	0.5
229.01399	0.4
231.06673	1.4
245.04510	1.2
247.13416	0.5
265.07202	0.7
275.05533	2.4
293.56625	0.4
295.08231	0.9
325.09195	0.8
341.06540	0.6
342.06799	0.3
353.08945	1.4
365.08734	4.1
366.09201	0.5
367.10306	1.0
373.26038	0.5
451.10306	0.4
491.09653	0.6
494.59891	0.3
527.15448	2.7
528.15692	0.6
539.12140	3.1
540.12085	0.4
571.14563	56.4
572.14886	10.2
572.24017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01250	4.5
61.98700	3.2
69.03298	1.1
71.01254	3.0
71.51266	0.6
72.99170	0.9
73.02823	1.4
75.00747	1.0
79.33632	0.5
79.95609	8.3
80.96410	2.3
83.01250	1.4
85.02837	1.6
89.02301	1.0
93.03328	11.0
96.95885	15.1
97.02813	1.2
99.00752	0.7
101.02335	1.0
107.04857	0.6
108.02037	1.2
109.02859	3.1
111.00759	0.8
113.02290	1.0
115.00253	1.1
117.07095	0.7
117.16983	0.6
119.04910	1.2
121.02837	100.0
122.03139	3.2
123.00790	1.6
123.04386	1.5
124.01540	2.1
125.02328	14.8
126.02670	0.7
133.02821	1.0
135.02853	1.2
135.04428	2.9
136.01511	0.7
136.99014	0.7
137.02339	4.2
139.03934	5.2
147.00755	1.0
149.02345	8.0
150.03033	1.3
151.00291	1.0
151.03885	2.5
152.01137	0.9
153.01852	1.1
159.04379	1.1
161.02362	2.0
163.03885	4.2
164.01071	2.6
165.01837	7.0
165.05463	0.8
167.03371	1.4
169.01390	1.8
173.02153	0.7
173.04402	0.7
175.00249	0.7
175.03911	1.4
177.01826	2.3
178.99812	0.6
179.03444	3.6
180.04187	5.2
181.04974	2.5
182.02103	1.0
183.10178	0.8
187.03951	0.8
190.02707	1.3
191.03551	0.8
191.05447	0.7
193.05107	0.9
195.04771	1.0
195.06546	8.4
197.04465	3.9
200.09642	0.7
205.04941	1.5
210.03033	0.6
211.02385	1.5
212.02780	1.1
212.04747	0.7
213.01920	0.9
215.03555	1.0
223.06017	1.1
225.03972	2.1
225.07652	2.6
227.03624	3.5
227.05528	1.2
229.01514	1.0
238.06328	1.0
241.00218	3.6
241.05005	2.0
242.05554	0.9
243.02983	1.1
255.02908	4.1
255.06754	1.1
256.03223	0.7
257.04568	2.4
258.05322	2.2
269.04440	1.9
270.05301	4.8
271.02444	17.3
271.05048	1.1
273.05005	0.9
273.07504	3.7
283.02548	0.9
283.05759	0.9
285.04028	2.0
285.07687	1.7
286.04831	6.1
287.05048	0.9
299.01956	8.7
300.02573	1.7
300.99866	2.2
301.03766	1.0
301.07126	5.1
313.03592	1.3
314.04309	9.7
315.04559	0.9
315.12360	1.0
327.05191	0.8
328.05750	0.9
329.06641	90.9
330.06967	7.8
332.06723	0.9
409.02148	0.8
459.07239	0.7
471.18536	2.0
483.07413	0.7
491.11926	40.8
492.12311	6.4
553.11786	1.3
571.07672	35.7
571.20520	7.4
572.07617	6.2
572.20770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06114	2.4
51.15091	2.6
55.01738	3.1
57.03313	5.0
59.01248	78.3
61.98706	31.7
65.00186	6.3
69.03318	6.9
71.01256	24.9
71.51514	3.6
72.36369	2.4
72.99174	7.9
73.02811	5.5
74.98932	2.3
75.00739	7.1
79.95646	2.7
81.03306	3.5
83.01260	7.6
85.02814	17.0
87.00745	8.6
87.76366	2.6
88.98689	6.1
89.02331	9.0
91.01779	2.6
93.03348	12.2
95.01249	12.3
96.95885	30.9
97.02831	9.0
99.00777	3.1
101.02324	11.3
107.01280	5.0
108.02051	91.6
108.43519	2.7
109.02859	50.1
111.00775	4.4
113.02358	13.8
116.92705	3.0
119.04877	3.4
120.99412	2.7
121.02852	30.0
122.03651	12.6
123.00787	18.2
123.04418	23.6
124.01509	6.4
125.02321	24.8
133.02835	8.3
134.03653	6.3
135.00780	5.5
135.02878	9.7
135.04385	14.8
136.01546	6.7
136.20520	2.2
137.02339	20.3
139.00226	7.2
139.03889	4.2
141.01840	22.7
143.03477	2.8
147.00737	4.5
147.04396	3.4
149.02348	31.6
149.05966	5.7
149.99596	3.9
150.01973	5.5
150.03128	93.4
150.04330	5.1
151.00252	8.6
151.03882	17.3
152.01053	100.0
153.01831	49.6
153.05499	6.2
153.09096	3.1
154.02176	3.5
155.03416	2.5
159.04475	3.8
160.01582	3.8
161.02325	9.8
161.04469	5.9
163.00301	12.7
163.03850	11.3
164.00955	3.2
164.04655	10.5
165.01839	46.8
165.05470	82.8
165.06868	4.4
166.02580	8.2
166.99728	6.1
167.03427	7.7
168.00526	8.0
169.01340	9.9
173.02354	3.4
173.04434	3.2
174.03166	3.5
175.00301	9.3
175.03886	9.5
176.01012	4.6
177.01875	19.2
178.02614	3.8
178.99855	5.2
179.03426	10.3
180.04161	9.8
181.01399	5.8
181.04994	19.0
183.06529	9.8
183.10153	10.7
187.03995	3.7
189.01918	2.8
190.02698	21.3
190.99664	5.2
191.03419	8.5
191.05440	6.0
192.00760	2.6
192.04155	4.1
193.01289	7.5
193.05011	6.8
195.02840	4.6
195.06546	48.3
205.04973	20.2
206.30490	3.0
207.02879	4.5
207.06554	6.1
209.04503	3.6
209.08119	3.1
214.02725	3.2
215.07018	2.6
223.06039	9.5
225.05603	3.0
225.11227	3.4
227.03401	4.8
231.02907	3.4
239.03468	4.2
241.04750	3.3
243.06654	5.9
245.04369	2.8
256.03613	5.5
257.04370	3.2
265.07312	3.8
267.06650	4.3
269.04398	3.2
271.02316	5.1
271.06204	3.7
271.09497	3.3
281.04440	2.9
299.08878	3.4
300.02872	7.1
300.99768	9.3
301.03201	3.4
311.09183	4.7
315.04691	25.2
315.07309	49.9
316.04968	5.2
316.08200	4.1
326.11569	3.7
327.08569	6.7
327.12112	3.0
329.03043	12.1
329.10266	3.9
330.10977	9.3
331.03778	2.5
341.10196	2.5
342.10779	2.7
345.09943	3.7
345.13519	42.0
346.13831	5.2
357.13525	14.9
358.13901	2.6
371.06113	5.1
373.12625	4.4
375.14511	3.8
395.00760	5.0
407.07745	5.4
491.08347	25.5
492.08328	6.9
493.18750	7.8
511.25491	5.1
520.12079	5.9
521.13055	27.8
522.13049	2.9
523.19684	30.3
524.20001	5.4
535.10614	3.8
535.17938	3.7
536.11572	4.3
541.20734	4.5
571.13379	12.9
571.23126	32.9
572.14093	5.6
572.23370	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	569.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03317	0.6
58.63476	0.2
59.01247	14.7
61.98702	2.2
69.39763	0.5
69.40165	1.8
71.01256	3.5
72.93744	0.3
73.02799	1.0
83.01254	0.6
83.04908	0.4
85.02811	2.0
87.00761	0.4
87.04385	100.0
87.79671	0.3
88.04722	1.9
89.02311	1.4
93.03315	2.2
95.01212	0.3
99.00764	0.4
101.02327	2.3
109.02807	0.3
111.04368	1.2
113.02331	1.2
115.66290	0.3
121.02911	0.4
123.04368	0.6
125.02305	0.9
131.03395	4.8
137.02309	1.9
137.09622	0.6
139.11133	0.4
143.03392	0.4
145.12218	0.4
149.04434	0.5
153.05470	0.3
155.03398	1.2
155.10757	0.5
161.02361	0.3
161.04501	0.5
173.20589	0.3
175.03954	0.9
183.10170	0.5
192.37640	0.3
201.11272	1.9
289.16705	1.3
303.14447	0.5
307.17865	0.3
314.04269	0.3
315.05121	0.4
377.21744	10.6
377.26459	0.6
378.22034	1.4
405.41989	0.3
413.17230	0.3
421.20746	3.3
422.21021	0.6
509.25906	5.6
510.26291	0.9
569.30359	2.0
570.29022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77884	0.3
53.23663	0.3
54.59534	0.3
57.74690	0.3
59.01241	1.1
61.98702	100.0
71.06718	0.3
77.89607	0.3
92.94743	0.3
118.17934	0.3
124.01550	0.5
139.03931	0.5
145.36499	0.3
244.82153	0.4
347.13522	0.4
367.65646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51678	0.5
55.01741	2.0
57.03311	2.4
58.00467	0.8
59.01249	37.1
60.01549	0.5
61.98701	15.2
67.01747	0.5
67.63158	0.5
69.03320	0.9
71.01250	28.1
71.51579	0.5
72.01586	1.1
72.97406	1.8
72.99170	1.6
73.02821	9.4
75.00741	1.5
75.20361	0.5
75.64887	0.5
83.01254	6.3
83.04913	0.6
85.02821	14.5
87.00771	0.9
87.04386	100.0
88.04707	2.1
89.02320	4.6
93.03318	2.6
93.92536	0.6
95.01230	2.8
95.04892	1.3
96.95904	1.0
97.02800	1.2
97.06441	0.5
99.00757	4.3
99.04368	0.7
101.02320	22.1
107.01273	1.2
108.02050	9.5
109.02830	4.8
111.00790	0.8
111.04381	0.7
113.02333	11.6
117.03374	0.9
119.03419	0.8
119.04948	0.6
120.99495	0.5
121.02793	0.6
123.00781	1.8
123.04401	1.9
125.02316	6.1
128.96368	0.6
131.03395	8.7
133.02867	0.7
133.06464	1.4
135.04378	1.3
137.02350	3.4
138.01860	40.4
139.00284	1.0
140.01039	0.7
141.65945	0.5
142.97995	2.0
143.03458	1.3
145.12207	1.1
147.04419	0.7
149.02287	0.7
149.04491	0.8
150.03178	0.7
151.00247	1.6
151.03957	1.2
152.01045	5.9
153.01793	2.3
153.05504	1.4
155.03398	1.4
159.02895	1.9
159.04321	1.0
160.01604	0.6
161.02393	1.0
161.04460	11.6
161.05829	0.7
163.03941	0.8
164.04787	0.6
165.01868	1.1
166.25563	0.6
167.03358	0.5
168.00504	0.9
169.01370	4.1
171.08047	0.6
171.10178	0.9
173.05965	0.8
174.03131	1.2
175.00150	0.7
175.03862	4.7
176.01169	0.8
176.04379	0.5
177.01819	0.6
179.03468	0.8
181.08615	1.7
187.07594	0.9
188.72780	0.6
190.02687	0.7
192.04173	0.6
193.01190	0.7
201.01875	2.2
201.11261	0.9
205.05133	0.7
205.12311	0.7
209.11752	0.9
213.05547	0.6
225.11224	0.8
225.14818	0.7
227.12845	2.4
238.84836	0.6
241.04984	2.0
243.06465	1.5
247.04182	1.0
255.06601	2.7
269.04605	2.8
271.06232	2.8
272.06891	1.8
275.03888	6.0
275.06744	0.8
275.07709	0.6
276.04001	1.3
286.08435	0.8
287.09167	1.5
287.14963	1.5
289.16571	1.3
299.98746	0.7
300.99786	0.7
303.03302	22.2
304.03958	4.2
305.04654	0.8
307.17578	5.9
308.18127	1.0
313.05627	2.3
315.07181	2.1
318.05597	2.1
319.06415	1.2
333.04037	0.7
334.04544	0.6
345.04025	2.5
367.12045	0.6
377.21759	34.2
378.21954	3.3
407.92236	0.7
421.20767	9.0
422.21143	0.9
431.19296	2.9
449.14493	7.6
450.15173	1.1
466.09213	1.9
481.11716	18.5
482.12067	3.1
507.09314	0.9
509.25961	11.6
510.26459	1.6
539.23102	1.1
551.23102	0.7
569.13422	7.4
569.25861	11.7
570.13300	1.7
570.21362	1.1
570.26306	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	569.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.2
57.03305	2.3
58.00476	1.3
59.01251	31.8
60.01578	1.8
61.01693	0.9
61.98708	2.0
68.99702	1.0
69.03299	1.1
71.01254	22.4
71.20115	0.7
71.51074	0.9
72.99184	2.4
73.02813	8.8
74.98970	2.3
75.00755	0.9
79.88667	0.7
81.03314	1.1
83.01257	7.4
85.02819	12.3
87.00753	2.7
88.04926	0.9
88.98682	1.1
89.02318	7.5
93.03349	4.3
95.01269	3.9
95.04884	0.9
96.95881	2.0
97.02809	1.3
99.00747	3.7
99.92477	0.9
101.01717	1.1
101.02331	18.6
102.02602	1.2
104.02580	0.8
106.03992	1.9
108.02032	1.8
109.02831	3.5
111.00755	2.2
111.04412	1.8
113.02345	7.1
116.92744	6.3
119.03369	2.9
121.02872	6.7
122.03628	11.2
123.00776	1.5
123.04380	3.2
123.68089	0.8
125.02322	3.8
132.02043	1.0
133.02895	4.9
134.03638	5.2
135.04419	2.5
135.06549	1.8
136.01555	2.8
136.57520	0.9
136.99039	3.4
137.02310	2.9
137.05974	1.1
139.00264	2.3
145.02901	1.3
147.04376	2.1
149.02350	34.1
149.05968	5.7
150.03133	86.2
151.03502	3.8
152.01004	1.0
153.01801	1.5
161.02339	1.7
161.04462	2.4
162.03079	1.5
163.03870	2.6
164.04701	10.7
165.05479	85.2
166.05850	4.2
166.99802	0.9
169.01375	1.5
173.02353	0.8
175.03857	1.1
177.05476	1.8
179.03506	0.9
179.05511	1.4
180.04205	5.3
181.01373	1.2
181.04990	5.7
185.11702	1.0
187.07579	1.5
189.08900	0.8
190.02682	1.0
193.08588	1.4
195.06554	37.6
196.07211	6.1
197.08037	0.9
201.05565	1.3
202.06218	0.9
211.09700	9.3
213.09143	0.8
227.12851	4.0
228.13164	1.4
229.13547	0.8
231.10190	0.9
271.09549	1.4
297.11249	0.9
299.12418	1.0
315.12354	0.9
317.10156	1.8
327.12256	1.4
329.10312	1.0
344.12570	4.5
345.13120	1.2
352.14569	0.9
358.12457	1.5
359.15024	11.3
360.15295	1.2
371.11252	1.3
373.15024	29.9
374.15341	2.6
387.16101	0.9
389.12592	1.1
427.16025	1.0
479.07751	1.1
521.20245	100.0
522.20679	14.8
551.25977	1.5
568.26898	1.7
569.21191	8.4
569.27216	13.6
570.22699	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57495	1.1
57.03315	2.8
58.00777	1.6
59.01249	30.3
60.01579	1.6
61.98705	11.0
69.03329	1.8
69.18520	13.5
71.01251	18.3
72.01574	1.3
72.99184	3.8
73.02823	3.5
75.00732	3.6
83.01254	5.7
85.02802	8.7
86.00060	1.5
87.00762	3.2
89.02320	9.3
93.03320	6.3
95.01279	2.9
95.04910	2.1
96.95870	2.9
97.02849	2.4
99.00761	3.0
99.04394	1.8
101.02310	14.7
108.02055	2.4
109.02831	4.5
113.02351	9.1
119.03369	3.1
121.02845	7.1
122.03626	14.5
123.00773	1.7
123.04462	3.2
125.02360	7.0
133.02802	2.6
134.03613	5.5
135.04401	5.2
135.06487	3.0
137.02335	6.0
137.05992	1.9
138.03122	1.5
139.03891	3.8
145.02797	2.2
147.04478	1.4
147.26677	1.3
149.02344	26.7
149.05966	3.3
150.03128	84.5
151.00298	1.7
151.03674	4.4
152.01036	2.1
159.02924	1.3
161.02348	3.8
161.04424	3.0
163.03915	3.4
164.04713	5.5
165.01820	3.7
165.05475	100.0
166.05832	5.7
167.03395	1.7
168.00519	2.1
169.01324	4.7
173.04492	4.5
174.03214	1.4
175.03896	3.6
177.01889	2.3
179.03442	2.6
179.05402	1.3
180.04184	5.8
181.04951	5.2
187.07584	4.4
188.23352	1.5
191.03424	1.3
191.05424	2.0
193.01375	2.4
193.04950	4.8
194.90070	1.3
195.06566	58.1
196.07027	5.8
200.22197	1.5
200.28755	1.4
201.09283	1.5
202.06300	1.5
203.03278	1.5
205.08427	1.5
208.03709	3.7
211.02368	7.0
211.09608	2.6
215.07140	1.6
223.06056	11.7
227.03433	2.0
227.12831	3.3
228.13147	2.1
229.08516	1.8
229.13567	2.0
231.10153	2.7
257.08200	3.4
271.04608	11.4
297.11517	1.9
299.12524	1.8
300.99875	1.5
327.12305	2.0
331.06677	5.4
344.12711	1.6
345.13095	1.5
359.14890	5.4
371.11389	4.6
373.15057	25.5
374.15076	2.1
437.14163	1.4
521.20282	48.4
522.20575	7.7
551.18024	2.7
569.27527	26.6
570.27899	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.8
57.03305	2.2
57.45757	0.7
58.00447	0.9
59.00965	0.8
59.01252	14.2
61.98701	69.6
63.99158	0.7
69.98141	3.7
71.01254	14.3
71.04878	1.1
72.99167	2.8
73.02814	10.3
75.00719	1.8
79.05389	1.5
81.03284	1.1
83.01237	1.5
83.04881	2.3
85.02825	7.2
87.00732	1.0
87.04387	1.8
88.98682	2.6
89.02324	6.3
93.03319	1.2
95.01281	1.0
95.04906	1.3
97.02824	1.9
99.00750	1.5
101.02318	7.7
105.01809	10.8
107.01174	0.8
108.02044	6.6
109.02840	3.3
111.04436	1.2
113.02345	4.5
119.03383	1.3
120.05697	1.0
123.00744	1.6
123.04412	3.9
125.02341	2.7
135.08055	8.2
137.02359	1.8
137.09593	1.2
138.06787	6.6
145.02766	0.9
151.00293	0.8
151.03909	1.0
152.01044	5.3
153.01804	2.4
153.09116	100.0
154.09480	5.0
155.10683	2.7
159.02914	1.0
160.01588	1.0
161.02325	1.3
161.04483	4.8
161.05673	0.9
165.01913	1.2
167.10643	1.1
168.00491	1.1
169.01318	1.7
175.03925	2.2
176.04295	1.2
179.03331	0.8
179.07036	5.3
183.10236	0.9
190.02611	1.0
193.04942	1.0
197.08150	2.7
199.09720	2.0
205.04993	0.7
207.13914	1.8
219.97447	0.7
225.14914	16.9
226.15341	1.0
256.47067	0.9
271.02374	1.3
271.19144	4.0
299.99509	0.9
300.02628	1.6
301.00015	1.1
356.71371	0.9
361.15378	0.8
365.50275	0.9
387.20410	2.5
435.29086	1.1
452.86871	0.8
519.20154	0.8
567.28369	90.4
568.28760	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	567.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04804	0.4
59.01248	100.0
59.20118	0.4
60.01601	1.1
61.71405	0.4
61.98698	5.5
65.00202	0.5
65.16531	0.5
69.03304	0.5
70.07500	0.8
70.07898	1.0
76.98663	0.5
78.95785	0.8
83.04903	0.8
83.06179	0.4
91.68485	0.4
96.95874	2.6
124.01608	0.9
139.03935	2.6
169.76654	0.5
179.14383	0.6
190.95461	0.5
195.13844	1.6
205.12254	2.2
209.11766	19.7
209.51526	0.5
210.12094	0.9
223.13342	23.0
224.13756	1.9
227.12834	3.8
247.13382	0.5
261.15134	0.5
297.16934	0.5
351.16019	0.4
485.33026	0.8
487.34448	0.7
489.28958	0.6
567.06592	0.6
567.29962	2.5
568.30890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29233	0.7
52.56290	0.7
59.01237	1.5
60.68737	0.6
61.98701	9.1
63.02262	1.2
65.20413	0.6
71.50517	1.0
72.64252	0.7
78.95791	0.8
90.31839	0.7
97.02856	1.0
119.04889	0.7
124.01550	46.7
125.01903	2.0
126.83795	0.7
138.03142	3.7
139.03909	100.0
140.04276	3.8
152.99532	1.0
153.05499	3.0
165.01909	1.1
183.82576	0.7
184.57562	0.7
190.06128	0.7
245.06056	2.1
246.06744	1.0
257.50101	0.8
275.06931	1.1
289.08612	0.8
293.09781	1.5
306.10495	1.4
307.11237	1.5
319.07669	1.1
321.09259	5.3
322.09952	2.6
336.11536	1.1
337.08759	7.6
337.12378	1.5
338.09253	1.0
352.11084	1.9
353.11829	2.6
354.08521	0.8
411.12387	30.3
412.12677	4.3
569.26910	0.9
569.35236	1.7
570.30750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.4
61.98710	3.2
69.03330	0.6
71.01242	6.2
71.50237	1.3
72.99191	3.2
73.02824	1.8
74.98967	2.5
75.00735	1.9
76.38941	0.6
79.95605	1.1
83.01241	1.5
85.02814	2.8
86.98984	0.6
87.00740	1.5
88.98670	4.7
89.02313	5.0
93.03345	1.4
95.01279	1.2
95.04918	1.2
96.95887	5.0
97.02798	1.5
99.00753	0.9
101.02324	4.3
106.04165	1.5
107.04905	1.5
108.02058	5.4
109.02847	2.7
111.00760	1.8
113.00506	0.8
113.02322	3.5
116.92689	0.9
119.03405	1.4
120.99444	0.6
121.02910	0.8
122.03683	0.9
123.04424	3.4
124.01608	0.7
125.02319	3.7
127.03905	2.1
133.02815	5.0
134.03647	5.4
135.02864	1.5
135.04414	13.7
136.01599	1.2
136.04700	0.6
137.02353	3.9
139.00266	1.6
139.03941	3.7
139.04852	0.6
140.01091	1.8
141.01834	1.1
145.02875	3.4
146.03661	4.0
147.04405	0.9
149.02338	1.6
149.05994	5.5
150.03131	52.9
151.03954	7.3
152.01099	3.2
152.04649	2.0
153.01828	2.2
155.03450	0.8
159.04448	0.6
161.02393	1.7
161.04550	1.7
161.05959	2.1
163.03918	1.4
164.04692	2.9
165.01810	3.0
165.05481	100.0
166.02554	1.0
166.05792	5.0
167.03337	2.3
167.06903	0.8
169.01358	1.8
171.10193	1.1
172.05128	1.0
173.04469	1.0
173.05864	0.7
175.04054	1.0
176.04663	2.5
177.05446	1.1
179.03357	0.8
179.07059	5.4
180.04189	0.9
181.05009	2.3
183.02890	1.1
187.07585	5.3
188.08022	0.8
189.05551	0.9
191.05518	1.4
193.04901	0.8
195.02873	1.1
195.06520	2.4
196.03596	0.8
197.04482	0.8
199.03908	0.8
201.05548	1.3
202.06303	2.0
205.05061	1.2
205.08701	2.6
207.06526	0.8
210.05415	1.2
211.06047	15.1
211.07890	1.1
213.09325	0.9
214.02678	1.5
215.07147	1.3
216.07841	1.2
225.07545	4.2
227.03394	1.5
229.08650	2.9
231.10286	4.2
253.08664	1.2
255.06505	0.9
257.08026	4.1
265.07159	9.0
271.09787	0.9
283.08090	1.2
297.11502	1.4
298.08612	1.1
300.99887	1.5
302.04153	0.8
309.11398	1.4
311.09467	1.0
319.20856	0.7
327.12320	2.3
328.12729	0.7
329.10629	0.8
339.47134	0.7
345.13376	1.2
359.11380	6.4
363.09222	1.7
371.11276	7.2
372.11600	0.8
373.11624	1.6
375.19949	1.1
388.04263	1.2
389.12454	8.3
404.68692	0.7
407.13434	21.5
408.13837	2.4
489.17258	1.3
503.14938	0.7
551.10303	1.3
551.17792	1.6
569.15680	4.5
569.23053	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
58.00451	0.9
59.01246	98.0
60.01569	1.2
69.97880	1.3
69.98254	4.0
71.01247	20.8
71.35128	0.9
72.99160	1.1
73.02816	12.0
74.08628	0.8
75.00740	0.9
81.03331	1.6
83.01248	3.2
85.02819	8.1
87.00736	2.6
89.02309	18.3
95.01259	1.2
97.02892	0.9
99.00750	1.9
99.04391	3.8
101.02316	17.3
103.03902	2.4
108.93423	0.9
113.02316	10.9
117.05449	1.3
119.03382	6.4
119.27206	0.8
125.02328	2.2
131.03362	1.4
135.06519	12.9
143.03403	1.2
147.26697	1.0
159.06496	1.5
161.04471	3.3
165.12701	1.5
177.07510	1.3
179.05499	3.4
181.04994	1.4
201.07617	1.3
207.13824	3.6
209.11781	6.3
225.14937	6.7
227.12822	31.8
228.13197	1.5
233.11778	0.9
251.12592	1.2
269.13968	3.7
279.10788	6.7
287.14972	3.1
297.11838	8.0
339.12872	2.6
342.35983	0.8
533.64056	1.3
549.25470	6.5
550.25665	1.6
567.26520	100.0
568.26965	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	567.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75603	0.4
53.58599	0.5
55.01744	0.8
55.17884	0.4
57.03300	1.0
59.01246	6.1
60.99167	0.7
61.98387	0.8
61.98698	15.9
62.20543	0.4
64.25845	0.4
69.03310	0.9
69.39057	2.8
69.39469	0.9
70.34080	0.4
71.01250	6.1
72.99201	0.5
73.02807	1.8
73.48811	0.4
75.00753	0.7
79.86086	0.4
81.03313	1.3
83.01257	1.1
83.04881	0.5
85.02825	5.7
86.74870	0.4
87.00738	0.9
87.04375	4.8
88.98667	3.8
89.02313	1.3
93.03319	1.5
95.01259	2.8
95.04881	0.6
96.95821	0.5
97.02818	0.8
99.00746	1.1
101.02337	3.0
105.01796	0.6
106.14548	0.4
107.04857	0.5
108.02049	50.4
109.02844	33.9
109.03444	0.4
109.03617	0.9
110.03136	1.1
111.00716	0.7
112.07632	0.4
113.02335	3.0
115.92005	0.5
119.03380	0.7
120.99545	0.4
121.02841	1.8
123.00782	3.1
123.04398	2.2
125.02335	3.6
131.03415	0.8
133.02879	0.8
134.03615	0.9
135.00761	1.0
135.02809	0.5
135.04411	1.7
137.02304	1.5
139.00258	0.6
140.01064	0.5
145.02884	0.6
147.04427	0.5
151.00232	1.1
151.03888	1.8
152.01053	55.3
153.01854	19.0
153.05435	1.3
153.09140	2.2
155.10687	0.7
161.02322	1.4
161.04434	1.7
163.03889	1.5
165.01833	2.1
165.05313	0.4
168.00552	1.3
169.01334	2.9
175.03886	1.4
178.64670	0.4
179.03418	0.7
181.08601	0.7
190.02586	0.6
191.05579	1.1
197.08105	1.3
198.08539	0.7
199.09744	0.8
209.11768	1.4
223.09801	0.7
227.12782	0.6
229.04968	1.5
255.03044	0.5
269.13873	0.6
269.17499	1.8
271.02341	0.9
271.19284	0.7
287.22333	1.2
289.07126	0.5
299.98978	1.6
300.02786	1.2
300.11545	0.6
300.99908	1.1
301.03177	0.6
301.12350	0.7
315.07233	7.0
323.10101	0.7
361.14529	0.8
375.23877	0.5
392.63605	0.5
489.15442	0.6
507.20642	1.0
519.19989	1.2
549.21521	0.7
567.24402	100.0
568.24762	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	567.229
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
51.81428	0.7
55.01738	1.1
57.03315	1.1
59.01247	60.0
61.98696	1.4
69.20434	0.8
71.01249	15.5
72.99176	3.2
73.02814	8.6
75.00745	14.1
76.74332	0.8
83.01247	4.7
85.02801	2.8
87.00747	3.7
88.98650	1.2
89.02307	8.0
89.74096	0.7
95.01278	1.4
96.95880	1.4
99.00739	1.5
99.04379	4.3
100.08076	0.7
101.02319	9.5
101.41468	0.8
108.02056	1.7
109.02841	1.0
111.00756	1.0
113.02332	4.7
115.00185	0.8
116.92719	0.8
119.03368	2.3
121.02837	1.2
123.04373	1.1
124.01568	0.9
125.02344	1.9
129.97021	0.7
131.03368	1.1
133.02861	1.1
135.02870	9.0
135.04410	1.4
137.02298	1.4
139.00259	1.1
139.11157	1.4
146.73752	0.7
149.02328	1.2
149.04330	1.0
150.03104	0.9
152.01056	1.4
153.01784	0.9
161.02328	1.5
161.04442	1.5
165.05489	0.7
165.12724	2.1
167.10475	0.7
167.33560	0.8
169.01337	1.2
174.01556	0.9
175.03908	1.1
181.12247	1.1
183.10170	1.7
189.12833	0.9
199.13329	0.9
207.13838	5.9
209.11769	12.1
225.11340	1.5
225.14900	4.8
227.12819	18.0
228.13072	1.2
233.11671	1.0
243.12404	5.1
251.12846	2.4
269.13922	21.8
270.14301	2.0
275.01770	0.8
285.13129	1.0
287.14981	16.4
287.18027	0.6
288.15283	1.3
290.51950	1.1
293.13724	1.0
297.08282	5.0
309.08395	0.8
329.16159	1.0
339.09329	1.7
345.15500	1.5
387.16559	7.5
389.18048	1.2
405.17493	2.6
449.20178	9.5
491.20886	1.1
507.20663	1.1
547.20972	0.9
549.22260	2.2
567.22870	100.0
568.23187	17.2
568.31427	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	567.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91567	0.6
59.01245	0.7
61.98682	0.9
65.00185	2.0
80.96396	0.8
85.90960	0.7
89.47474	0.6
95.01255	5.7
101.03934	0.7
105.16019	0.7
108.02037	4.0
109.02833	5.9
117.03353	3.0
121.02808	0.9
123.00782	2.4
124.01587	1.0
130.37250	0.7
137.02292	4.0
138.03119	63.0
139.03526	2.0
143.04961	1.2
147.04433	1.8
149.02339	1.2
153.05473	100.0
154.05789	3.9
165.01860	7.5
166.02632	2.9
176.01015	0.9
183.04437	0.9
184.87326	0.7
191.03404	2.5
191.84285	0.7
195.06642	0.7
197.06003	1.2
199.30365	0.7
209.06056	1.8
221.06036	1.4
225.05397	1.7
229.56160	0.7
233.09642	2.1
237.05585	6.2
238.06219	1.7
239.07079	0.8
240.07861	3.4
241.10243	1.2
248.04613	1.3
252.04251	1.7
252.07870	2.7
253.05028	26.5
254.05492	2.4
255.10315	7.5
263.07117	2.2
264.07874	1.7
267.06653	5.5
267.10349	2.3
268.07349	1.9
269.08276	2.1
271.09665	3.3
277.08710	0.9
281.11768	1.3
283.09729	59.3
284.10120	5.1
285.11334	10.6
286.11536	0.9
311.10760	10.4
312.11295	1.3
322.09860	1.6
337.08627	1.0
337.12213	1.1
338.09314	1.6
339.10175	11.7
340.10907	2.6
353.11871	3.0
354.12552	13.4
355.08899	1.3
355.13263	4.0
367.13321	1.0
369.14929	30.0
370.15427	3.7
371.07446	1.0
381.11298	0.9
385.14264	3.8
386.14978	0.8
387.16110	1.9
413.13989	6.2
475.54080	0.8
490.17935	1.0
503.14786	0.9
517.16681	0.8
535.17169	1.4
549.19171	2.8
567.20135	15.8
568.20770	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	567.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15202	1.3
53.90385	1.0
54.36846	1.1
59.01254	1.5
61.98712	2.3
65.00177	1.4
66.40887	1.2
72.91841	1.2
74.59869	1.1
74.70835	1.3
78.09741	1.5
95.01250	4.3
98.19748	2.9
108.02022	2.8
109.02827	4.8
117.03340	2.9
120.29401	1.1
121.02836	2.5
123.00799	1.4
125.77354	1.0
137.02309	3.7
138.03122	61.9
139.03543	1.5
149.02310	1.8
153.05473	100.0
154.05833	1.6
165.01855	6.9
166.02550	2.3
191.03432	2.8
197.54414	1.3
209.06023	3.0
221.05980	1.6
223.07578	1.9
225.93370	1.2
229.81851	1.1
237.05522	5.6
240.07861	4.3
248.04802	2.3
252.07858	2.2
253.05043	27.7
255.10199	7.2
263.07135	3.3
267.06677	6.4
268.07092	1.5
269.08301	3.3
271.06082	1.2
271.09775	2.5
283.09744	57.7
284.09961	5.9
285.11258	12.4
286.11630	1.3
311.10699	9.7
322.10114	1.6
337.08588	1.7
337.12311	1.7
339.10196	13.0
340.10663	3.9
353.11670	3.5
354.12592	12.7
355.12894	2.2
369.10590	2.3
369.14929	29.4
370.15317	3.4
371.07541	1.3
385.14392	4.7
387.16055	1.9
413.13855	5.4
505.20383	1.7
549.19177	1.9
567.20282	14.1
568.20276	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	567.202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87575	1.5
62.07932	1.8
65.00206	1.8
71.15893	1.4
78.20591	1.4
84.18118	1.5
94.57287	1.3
95.01242	7.5
108.02036	5.0
109.02834	6.5
117.03345	4.0
123.49476	1.4
124.01518	4.4
137.02347	7.3
138.03119	73.6
139.03812	5.7
140.85699	1.5
147.04362	2.7
149.02350	5.4
151.00264	1.8
153.05473	100.0
154.05817	4.6
165.01849	11.5
166.02553	3.6
176.01006	1.4
191.03372	2.6
191.08554	1.7
197.05968	1.6
209.06047	4.6
209.93860	1.4
210.44939	1.3
225.05455	3.2
237.05550	8.1
238.06218	1.9
239.07034	2.7
240.07967	8.9
241.10110	3.1
249.43776	1.5
252.04295	3.8
252.07768	2.0
253.05026	54.8
254.05376	4.4
255.06276	1.7
255.10295	9.6
267.06607	12.9
268.07233	3.8
269.08072	7.4
283.09741	87.0
284.09970	8.9
285.11362	15.6
287.40625	1.5
300.06448	2.2
311.10785	15.8
339.10181	16.0
340.10535	1.9
353.11987	2.5
354.12689	17.9
355.13336	3.3
369.14920	29.3
370.15421	3.1
549.19458	1.6
567.20215	93.6
568.20319	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	567.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39875	0.8
56.05837	0.8
59.01253	10.4
61.98692	1.3
69.03326	1.0
71.01250	7.6
72.99157	1.6
73.02818	4.0
74.53719	0.8
76.04299	0.8
85.02820	2.1
87.00774	0.8
88.74648	0.9
89.02332	5.6
95.01260	2.2
97.02814	0.9
98.19772	1.7
99.00755	10.4
101.02307	2.5
104.09112	0.7
107.01270	31.5
108.01562	0.9
109.02793	0.8
111.00764	1.7
113.02348	3.9
116.92724	2.6
117.92776	1.8
118.92506	1.0
118.99734	0.9
119.03409	1.4
119.04950	1.0
121.02837	0.8
123.00779	7.3
125.02333	70.3
126.02657	2.5
131.03371	1.1
133.02824	1.4
135.04445	0.8
139.00269	3.2
140.01059	2.8
141.01924	0.9
149.04393	1.0
151.00299	4.4
153.01822	0.9
161.02309	4.7
168.00529	0.9
168.47322	0.7
169.01329	100.0
170.01669	4.1
179.03325	0.9
191.05444	1.3
255.02933	1.4
271.02454	2.8
300.02744	3.1
301.03363	1.9
327.00299	0.8
348.28970	1.0
371.36081	0.8
567.17133	72.0
568.17767	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	567.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83264	0.3
55.96330	0.3
59.01250	1.7
61.98692	1.5
65.00183	0.9
69.31642	3.0
71.01265	0.7
73.02768	0.5
83.01243	0.7
87.04384	0.8
91.01757	0.5
91.55033	0.3
93.03326	1.0
97.02847	0.5
98.19863	0.8
101.02322	0.8
107.01262	2.7
108.02066	2.7
109.02843	2.7
113.02309	0.4
119.01347	0.3
121.02821	1.2
123.00754	0.4
123.04362	0.4
124.01534	0.4
125.02349	0.8
135.00795	1.1
135.04347	0.5
137.02350	0.6
138.55830	0.3
140.01015	0.5
145.02838	0.8
148.01566	1.2
151.00270	9.4
152.01083	2.0
153.01817	1.3
153.09087	1.1
161.02252	0.5
163.00288	2.7
164.01083	0.9
168.73720	0.4
169.01331	0.9
171.04378	0.5
174.03116	0.6
175.03998	0.4
178.99777	4.1
183.04480	0.5
187.03824	0.5
188.04726	0.4
190.02631	0.7
191.05539	0.6
192.00601	0.5
197.08125	1.7
198.03081	1.0
198.08379	0.7
199.03880	1.7
201.01773	0.8
201.05498	0.5
203.03606	0.6
211.03937	1.0
213.01772	0.4
215.03450	1.2
216.04214	1.3
226.02684	5.7
227.03465	4.8
228.04106	0.7
229.01410	0.3
229.04805	0.5
239.09100	0.5
243.02951	19.4
244.03415	1.3
245.04321	0.8
254.02151	5.9
255.02953	22.9
256.03345	2.3
271.02466	90.9
272.02911	9.8
272.36072	0.4
273.03964	1.2
283.02481	0.7
299.01971	1.6
299.11426	0.8
300.02728	100.0
301.03406	27.9
302.03879	1.6
343.04526	0.9
360.13638	0.5
445.07800	1.0
567.11444	76.7
567.24091	4.7
568.11780	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64779	1.0
57.03318	1.2
59.01249	8.3
60.99171	13.7
61.98696	12.0
65.17829	1.0
66.27840	1.0
69.78550	1.0
71.01247	4.9
71.51372	2.0
72.99149	1.1
75.00731	1.2
85.02834	2.4
87.12708	0.9
88.98672	97.7
93.03349	2.5
101.79646	1.1
108.02094	2.6
109.02814	3.8
111.00787	1.5
111.09968	1.0
113.02312	2.6
120.99524	2.4
121.02814	3.5
123.00748	2.2
123.04435	5.2
125.02379	5.3
135.04419	6.5
137.02356	3.0
140.01065	1.3
141.13786	1.3
149.02319	2.2
152.01057	4.1
153.01826	2.0
153.05450	4.2
154.05804	1.9
160.01584	1.9
161.02251	1.8
163.03850	2.9
165.01868	6.3
165.05412	1.7
169.01343	3.0
175.03827	1.6
179.03392	1.7
179.07065	1.6
181.08568	3.4
183.10229	1.3
191.05504	1.3
193.01309	1.5
193.05013	2.2
205.04913	1.5
209.14255	1.2
229.01430	1.2
243.02837	1.5
269.04456	1.3
271.02441	24.1
272.02853	3.3
287.01947	4.5
299.01947	36.2
300.02383	7.7
314.04315	43.3
315.01404	7.7
315.04996	26.0
316.05487	2.2
325.10733	1.4
330.03696	11.5
334.08688	1.1
477.10358	100.0
478.10831	13.1
567.24438	26.7
568.24023	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	567.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01719	0.4
55.98791	0.4
57.03282	0.8
59.01251	6.7
61.98703	5.6
65.00146	1.4
65.59550	0.4
67.01701	0.5
69.03279	0.7
69.30759	2.9
69.31166	0.8
71.01244	3.8
72.99134	0.7
73.02785	1.0
77.64963	0.4
81.03304	0.7
83.01221	1.6
83.04832	0.5
85.02827	2.9
88.98682	0.5
89.02309	2.2
91.01752	0.8
93.03304	0.8
95.01228	1.4
95.04894	3.7
98.19778	0.4
101.02322	1.9
107.01275	2.8
108.02050	15.3
109.02839	11.1
111.08014	0.4
113.02277	1.5
119.01242	0.8
119.03370	0.5
119.04870	0.5
119.08479	0.6
121.02796	1.8
123.00774	1.9
123.04332	1.5
124.01502	0.6
125.02347	2.3
132.02017	0.7
133.02780	0.9
134.03590	1.2
135.00703	1.5
135.02867	0.5
135.04282	1.3
137.02296	0.8
139.03899	0.5
139.11139	0.9
140.01013	0.6
145.02776	1.2
147.00693	0.4
148.01543	1.1
149.02335	2.4
150.99184	0.7
151.00279	9.2
151.03838	0.7
152.01056	17.8
153.01846	6.8
153.05434	1.3
153.09042	0.4
154.02110	0.6
155.10628	0.9
160.01578	2.2
161.02008	2.0
161.05991	0.6
162.02039	0.5
163.00314	2.9
163.03918	2.1
164.00990	0.4
164.04672	1.9
165.01785	1.0
165.12694	0.5
167.03307	0.8
168.00494	0.5
169.01337	2.0
173.02348	0.5
174.03067	1.6
174.62158	0.4
175.00313	2.1
175.03909	3.3
176.00571	0.4
176.04286	2.1
177.01852	0.5
177.04375	0.9
177.09053	0.6
178.02417	0.5
178.99799	5.2
179.03366	0.8
179.07007	1.2
181.08646	5.8
183.04385	0.8
183.10172	3.9
187.03940	1.2
188.04660	0.7
189.01822	1.0
189.05379	0.6
190.02638	6.3
190.99829	0.6
191.03426	0.9
191.05434	0.9
193.01341	0.8
193.04961	1.0
194.05193	1.1
198.03102	0.9
199.03905	2.4
199.09679	1.2
201.01825	1.5
203.03313	0.5
205.04994	5.9
206.05531	0.8
207.02943	0.5
207.13785	0.5
208.03629	0.5
209.11731	0.9
215.03372	1.1
216.04141	1.4
218.02116	1.2
219.02591	0.8
221.08080	1.0
223.06050	3.5
223.09747	0.5
226.02657	7.9
227.03432	6.4
228.03906	0.6
229.01317	1.8
229.04947	0.6
237.07686	0.6
242.02089	0.5
243.02962	23.4
243.06598	2.4
244.03375	2.4
245.04544	0.9
250.04785	0.4
251.12943	0.5
254.02180	8.2
255.02954	16.3
256.03394	2.1
265.07147	3.3
271.02460	100.0
272.02896	10.2
273.03937	0.8
283.02420	0.8
295.08173	1.7
299.01984	1.1
300.02728	81.4
301.03436	30.3
302.03827	2.0
315.07257	3.6
316.07739	0.6
325.09259	3.4
341.12430	1.3
343.04636	1.5
367.10352	5.8
368.10617	0.5
385.11630	0.8
445.07870	0.7
505.21487	0.5
507.19128	0.8
523.22076	1.2
566.26312	2.3
567.11664	98.2
567.21191	19.5
568.11951	18.4
568.21375	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	566.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98702	100.0
62.98401	0.2
66.51302	0.1
70.87332	0.3
71.06971	0.1
73.68146	0.1
76.41763	0.2
96.95888	0.1
196.25151	0.1
254.86247	0.1
272.69867	0.1
283.05206	0.1
506.34872	0.4
567.29584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79834	0.1
59.01249	6.6
60.01577	0.8
61.01683	1.0
61.98702	100.0
62.98391	0.2
64.71004	0.1
67.03427	0.1
81.19072	0.1
163.40781	0.1
229.84511	0.1
312.20444	0.1
344.59506	0.1
506.34836	0.3
543.91382	0.1
566.10126	0.2
566.36841	0.3
567.06506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35268	0.4
59.01245	9.8
61.98701	100.0
71.01263	1.5
71.50694	1.0
72.30145	0.5
78.95782	0.8
80.09908	0.4
85.02859	0.5
96.95898	1.0
289.18265	0.5
404.71494	0.5
458.69263	0.5
567.36169	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	566.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.8
60.01578	0.3
61.98700	100.0
62.98398	0.2
69.32703	1.6
75.84421	0.2
78.95791	0.3
98.19804	0.3
107.21831	0.2
144.09560	0.2
376.75980	0.2
434.00705	0.2
443.61032	0.2
485.32599	1.4
487.34677	0.2
505.34818	0.3
506.34912	0.4
567.10480	0.2
567.32507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.6
60.01588	0.7
61.01669	0.6
61.02062	0.2
61.98700	100.0
62.98396	0.2
63.02555	0.2
64.15307	0.2
71.01286	0.2
78.95786	0.3
96.95937	0.2
98.19822	0.6
99.93216	0.2
108.51023	0.2
121.29623	0.2
128.05110	0.1
143.14362	0.2
318.07602	0.2
327.12683	0.2
398.07965	0.4
503.33804	0.4
566.37152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.2
59.01251	8.3
60.01591	0.3
61.98703	100.0
69.21943	0.7
69.22366	0.9
71.01254	1.3
73.02831	0.4
75.00762	0.4
78.95763	0.2
79.34099	0.1
81.03357	0.2
83.01281	0.2
83.04943	0.2
84.67570	0.2
85.02843	0.7
87.00781	0.3
89.02308	0.8
89.22872	0.1
93.03370	0.5
95.01311	0.2
96.95907	0.2
97.06441	0.2
97.27476	0.1
98.20684	0.2
99.00835	0.2
101.02352	0.7
107.01322	0.2
108.02074	0.3
109.02851	0.5
112.04012	0.2
113.02356	0.5
114.72735	0.1
123.00789	0.4
123.04417	0.4
124.01512	0.2
125.02362	1.2
131.03429	0.2
133.02876	0.3
135.02907	0.2
135.04474	0.2
137.02368	0.5
139.00359	0.2
151.00302	0.3
152.01031	0.3
153.01874	0.2
153.05539	0.2
159.04521	0.2
160.01602	0.2
161.02388	0.5
161.04453	0.3
162.02734	0.2
165.01891	0.4
167.03568	0.2
168.00632	0.1
169.01335	1.1
170.01750	0.4
174.03186	0.3
175.03928	2.6
176.04311	0.3
177.01810	0.1
179.03418	0.3
180.04152	0.2
187.04018	0.2
189.01904	0.2
190.02667	0.3
191.04041	0.1
191.05537	1.0
192.05917	0.3
195.06644	0.3
205.05142	0.3
209.11874	0.4
215.03647	0.2
225.07693	0.4
253.05069	0.4
255.02985	0.2
257.21780	0.2
296.69022	0.2
299.99063	0.2
300.99777	0.2
313.05789	0.4
330.04944	0.3
345.04071	0.5
346.04422	1.1
347.05493	0.4
348.06009	0.6
373.03607	0.3
374.03854	1.4
375.24240	0.2
392.04922	0.3
393.05637	0.2
405.30228	0.4
406.30530	0.2
505.35278	2.3
506.35669	2.0
518.19415	0.2
548.08893	0.3
566.10126	2.7
566.22968	0.9
567.11615	0.8
567.24371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01246	1.8
61.98700	100.0
71.01257	0.7
71.37569	0.2
71.51661	0.2
71.61189	0.1
73.02824	0.4
73.04214	0.1
75.00725	0.3
83.01259	0.2
85.02820	0.4
87.00754	0.3
88.98647	0.2
89.02335	0.4
90.84587	0.2
101.02341	0.6
105.01818	0.4
108.02049	1.2
109.02861	0.9
110.03131	0.2
113.02333	0.3
121.02815	0.2
123.04409	0.5
125.02327	0.4
133.02898	0.2
137.02345	0.3
137.09622	0.2
139.11224	0.2
149.05954	0.2
152.01053	1.2
153.01764	0.3
153.05493	0.6
153.09120	1.3
155.10719	0.7
159.04341	0.2
160.01482	0.2
161.02324	0.3
161.04472	0.3
169.01385	0.4
174.03156	0.2
175.03914	2.3
183.10233	0.3
189.01903	0.2
191.05534	0.2
193.05035	0.2
199.09731	0.5
209.11815	0.3
216.52631	0.2
243.12286	0.5
244.12665	0.4
245.04622	0.2
272.10086	0.2
299.98920	0.2
301.12943	0.2
345.15515	0.3
346.15723	0.3
405.17575	0.3
406.17950	0.4
565.23431	0.2
566.06750	0.2
566.22882	2.1
567.25891	1.1
567.28668	1.1
580.35120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26674	0.3
58.00452	0.3
59.01248	100.0
60.01582	0.8
60.99154	0.3
61.98693	1.9
67.55142	0.3
69.03339	0.3
69.16708	1.6
69.17133	2.2
71.01248	0.9
73.02837	0.5
79.72441	0.3
85.02805	1.6
87.00809	0.4
89.02310	0.6
93.03310	0.7
102.81300	0.3
109.02825	0.4
125.02344	0.5
169.01338	0.5
173.61411	0.4
175.03932	0.8
191.05553	3.1
193.05028	0.3
195.43323	0.3
301.04974	0.7
329.04382	1.2
332.42010	0.4
345.04013	2.9
346.04330	0.8
347.05560	2.4
348.06146	0.6
359.28055	0.5
373.03488	3.2
374.03738	0.7
375.28955	2.2
376.29251	0.8
391.04514	1.7
399.28958	0.4
405.30054	10.7
406.30316	1.8
411.28613	0.4
413.30737	1.5
414.31055	0.4
423.32764	0.6
429.29495	0.5
431.31662	2.6
439.32269	1.2
441.29663	0.9
451.32266	0.4
457.33151	1.4
459.30988	4.1
460.31247	1.0
467.31631	0.5
469.32880	0.7
475.34015	0.7
485.32526	1.0
487.34219	0.7
505.35345	52.7
506.35696	10.2
547.08545	0.8
565.09735	6.1
565.22644	1.6
565.37292	3.0
566.10199	1.8
566.23077	0.4
566.37604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56534	1.2
55.01754	2.8
57.03311	3.6
59.01250	69.0
61.98687	5.2
71.01250	59.5
71.08064	1.4
71.08381	1.8
71.82336	1.0
72.99172	3.3
73.02816	19.7
74.98959	2.3
75.00731	3.5
83.01259	9.9
83.01694	1.5
85.02818	26.8
87.00741	3.2
89.02311	15.3
92.00334	1.1
95.01257	5.1
96.95879	7.6
97.02799	2.5
99.00739	9.6
99.04369	1.0
101.02320	47.1
108.02031	1.9
109.02849	2.7
113.02326	28.4
119.03424	2.9
121.02810	1.6
123.00716	2.2
123.04407	2.4
125.02334	5.5
129.01830	3.1
131.03384	29.7
132.01991	1.2
132.33382	1.3
133.02786	1.6
135.04376	2.1
136.01472	1.3
137.02315	1.9
139.00230	1.4
139.03906	1.5
142.40430	1.1
143.03452	5.4
149.02289	3.2
149.04431	2.0
151.00270	4.2
151.03822	1.4
152.01071	1.7
153.00870	1.1
153.01857	13.2
153.05441	1.3
159.02910	6.0
160.01512	5.9
161.02393	2.5
161.04459	33.5
162.04807	1.2
164.04678	3.3
165.03897	1.0
165.05392	1.5
166.02618	1.7
166.99710	2.1
167.03394	2.6
168.00433	2.4
169.01346	1.8
175.03867	5.2
177.01826	4.0
177.05428	1.4
179.03331	1.9
179.05507	2.1
181.04962	2.3
189.02060	1.3
190.02614	2.5
191.03322	1.5
193.04971	1.7
195.02805	1.4
197.04434	1.6
198.69095	1.1
205.05014	2.0
211.16936	2.4
223.05940	1.4
259.31857	1.3
271.02411	3.4
287.14981	2.3
299.01782	1.8
300.02695	3.6
300.99896	1.7
301.03244	1.5
316.01941	1.8
331.06470	1.5
337.09320	6.6
353.08817	1.6
367.10074	2.2
373.22269	100.0
374.22568	9.4
403.13803	1.1
417.21356	2.0
419.07742	1.3
505.26538	22.5
506.26715	3.6
533.14160	1.0
541.00659	1.2
565.11169	1.3
565.17010	1.4
565.28088	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	565.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86313	0.5
59.01250	100.0
60.01585	1.2
61.98705	7.1
69.03327	0.6
71.01262	1.7
73.02830	0.9
75.00758	0.7
83.23515	0.6
84.33461	0.5
84.39895	0.5
85.02832	3.1
87.00757	0.8
93.03356	2.5
98.19788	1.6
99.04402	1.2
101.02348	0.7
105.67612	0.5
111.04411	1.2
113.02365	0.7
116.33583	0.5
123.04450	0.7
124.01541	1.2
125.02340	4.0
127.03887	0.6
135.02896	1.4
137.02298	0.5
149.99513	1.8
168.00589	2.0
169.01332	2.9
173.04434	0.6
191.05539	13.4
192.05818	0.8
253.18008	0.6
261.05542	0.7
263.07388	0.6
271.04611	1.3
271.09457	0.5
273.05597	0.9
289.05139	1.5
301.05170	1.8
303.06674	0.6
317.04507	0.8
318.04950	0.8
329.04523	5.9
330.05060	1.2
344.99796	0.6
345.04007	14.5
346.04642	7.1
347.05563	18.2
348.05933	2.6
355.09769	1.4
357.84970	0.5
373.03442	11.3
373.10925	1.0
374.03922	1.6
375.28851	2.8
385.10718	1.3
387.29025	0.8
391.04767	5.3
392.04611	0.6
399.29034	0.6
403.11768	1.3
405.30099	12.9
406.30463	2.3
413.30627	1.8
423.32941	0.8
426.49951	0.6
431.31512	3.0
439.32022	0.8
441.29617	0.8
457.33426	2.1
459.30997	5.3
460.31406	0.8
467.32120	0.7
475.34250	1.6
485.32541	1.3
487.34219	1.0
505.35364	65.0
506.35654	10.8
547.09076	1.2
548.09570	0.7
565.09863	24.5
565.22308	5.0
565.37451	3.4
566.10388	4.2
566.22479	0.7
566.37769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	6.4
57.03323	2.8
59.01248	32.7
61.98703	10.3
62.54940	0.6
65.00188	0.8
65.03871	0.8
67.01746	0.9
69.03324	2.2
71.01248	11.7
71.04900	3.7
72.99171	1.9
73.02820	8.6
75.00745	2.1
75.50013	0.7
75.50420	0.9
81.03313	1.2
83.01259	2.9
83.04890	1.4
85.02818	15.2
87.00782	0.8
87.04388	39.9
88.04714	0.8
89.02331	3.6
93.03353	2.0
95.01266	2.9
95.04893	6.6
97.02829	17.3
97.03417	1.5
98.19732	1.2
99.04385	2.6
99.92442	7.0
101.02321	17.8
107.04904	1.4
107.73930	0.8
108.02049	22.3
109.02157	1.1
109.02847	18.5
109.06511	2.0
111.06496	0.7
113.02337	4.1
115.03870	6.1
116.92744	76.5
117.92749	4.8
119.03348	1.1
121.02850	3.2
121.06493	0.8
123.00781	2.3
123.04394	12.6
125.02343	2.7
131.03369	1.2
133.02837	1.5
133.10112	3.5
134.03625	2.5
135.04402	1.5
135.08051	17.0
136.08430	0.9
137.02373	5.6
137.09583	1.2
139.03908	1.6
141.01816	0.9
143.03348	1.2
147.04445	1.0
149.02313	3.3
149.05998	1.1
150.03149	0.8
151.03925	2.1
152.01057	23.1
153.01880	10.3
153.05571	5.0
153.09119	81.0
154.09435	3.3
159.04384	1.3
160.01595	2.5
161.02293	3.6
161.04401	4.4
163.03865	1.1
165.01862	5.5
165.05466	1.2
165.09081	1.0
167.10690	1.8
169.01350	1.5
175.00319	1.5
175.03899	6.3
175.34084	0.9
176.01006	1.5
176.04369	1.2
177.01859	3.1
177.05568	1.0
177.09142	3.2
179.03482	1.5
179.05630	1.3
179.07050	8.3
181.08601	11.7
182.08992	1.2
191.03404	2.2
191.05418	1.2
193.01328	8.6
193.04979	3.2
194.05431	0.9
195.10196	9.3
197.08122	100.0
198.08414	5.9
205.04962	1.3
209.11771	1.2
209.96675	0.9
221.07948	0.8
223.13200	0.9
239.09204	44.9
240.09512	2.3
247.63583	0.8
251.09143	1.2
269.10303	28.8
270.10703	1.6
271.02484	3.2
281.17560	0.9
298.01114	1.0
299.02057	7.0
299.11343	74.5
300.11594	4.8
300.99896	1.6
309.73508	0.7
315.07251	2.4
329.23306	0.9
333.07870	0.9
341.12509	0.9
357.08163	3.3
359.13464	32.4
360.13864	4.0
373.22330	3.0
485.14154	0.8
503.19095	2.2
505.26624	1.1
521.20239	4.8
547.21790	1.3
555.46210	0.8
565.08850	1.5
565.19470	9.5
565.25897	8.0
566.20074	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	565.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.3
57.98872	0.7
59.01250	100.0
60.01603	1.9
61.01678	0.8
61.98700	7.8
69.03328	0.8
71.01253	13.9
72.99185	3.0
73.02818	10.3
74.98994	1.2
75.00771	0.9
81.41402	0.7
83.01253	4.7
85.02818	17.6
87.00761	3.1
89.02320	5.3
93.03371	0.8
95.01273	2.1
97.02837	3.5
97.06445	1.1
99.00767	1.2
99.04410	2.1
101.02319	10.8
109.02851	2.1
111.00777	0.9
113.02338	6.6
115.03927	0.9
119.03420	1.1
121.06512	0.9
123.00761	1.0
123.04432	3.1
124.01618	0.9
125.02333	2.8
131.03432	2.4
133.02853	1.6
134.03658	1.0
135.04424	3.1
137.02362	4.3
138.03175	1.7
139.00218	0.9
140.01094	0.9
143.15332	0.7
149.02356	1.3
151.00296	2.6
151.03876	0.8
152.01068	2.5
153.01808	1.4
161.02361	2.6
161.04390	3.5
163.03928	1.6
165.12830	1.5
166.02612	9.0
167.03346	2.5
175.03896	1.5
177.01849	1.4
179.03384	3.4
179.06981	0.8
181.04985	8.8
190.02634	1.7
191.03487	1.9
193.01459	0.9
193.04951	1.0
197.04518	2.0
203.05565	2.8
205.05026	2.3
207.13828	5.0
209.11789	6.8
221.06749	2.1
225.14917	8.6
227.12834	33.5
228.13129	2.6
251.13020	1.1
263.07718	2.0
269.13913	6.9
287.14993	48.3
288.15326	3.0
293.13852	0.9
300.02701	0.9
311.14981	0.9
329.15948	2.4
359.17236	1.4
388.11588	3.4
389.18137	9.7
403.13956	20.0
403.23004	1.9
404.14450	2.1
417.21542	0.8
449.20328	14.1
450.20276	1.7
465.09439	0.9
473.20389	2.0
491.21310	17.1
492.21613	2.3
493.07214	0.8
505.22647	3.8
506.23016	1.0
515.22986	0.8
547.24158	2.4
565.25006	46.8
566.25421	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	565.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.7
57.03332	3.3
58.00459	0.8
59.01250	52.0
61.98709	8.6
67.01785	0.8
69.03316	1.0
71.01253	20.9
71.04865	0.9
71.51122	0.7
71.51515	0.7
72.01576	0.7
72.99169	1.7
73.02808	4.6
75.00744	2.1
79.17845	0.6
80.62375	0.5
83.01257	2.1
85.02816	5.7
87.00739	2.5
87.04351	0.7
89.01763	1.2
89.02317	23.5
93.03333	1.6
95.01269	2.3
96.95894	1.7
97.02831	1.1
99.00765	1.0
99.04395	2.3
101.02319	13.4
102.02699	0.6
108.02051	1.6
109.02866	1.0
109.06452	1.4
111.00764	0.6
113.02325	8.5
116.92747	1.6
118.95670	0.5
119.03392	8.8
119.04836	0.7
121.02829	1.2
121.06467	1.0
123.00792	1.0
123.04410	1.3
123.08065	0.7
125.02342	3.2
131.03383	1.7
133.02808	1.3
133.04953	2.6
135.04410	2.2
136.99005	0.9
137.02382	1.7
137.09604	0.6
139.03886	0.7
143.03386	1.4
145.02852	0.7
149.02321	2.0
151.00240	0.7
151.03920	1.5
151.06026	10.5
152.00995	1.7
152.04686	0.7
153.01845	1.1
154.99677	0.6
161.02370	2.9
161.04453	1.9
163.03928	0.6
163.11177	0.9
165.01787	0.8
165.12743	3.0
167.03401	1.0
169.01323	2.3
173.02478	0.8
173.04305	0.6
175.03873	1.2
175.05902	0.6
176.36504	0.6
177.01820	5.0
179.03456	1.1
179.05585	2.9
181.04802	0.6
182.02103	1.1
186.87605	0.6
187.04062	0.7
189.01945	0.6
189.12772	1.9
190.02628	1.3
191.05405	0.8
191.10760	1.4
193.01393	0.7
193.04996	0.7
197.04492	1.5
205.05035	1.2
207.13832	8.5
208.14124	0.8
209.11769	6.8
223.13361	0.7
227.12820	1.0
233.11755	2.6
251.12825	3.3
255.02798	1.1
255.15916	1.3
256.03406	0.7
257.53119	0.6
269.13885	2.3
269.17514	1.6
271.02478	1.1
272.02805	1.6
285.16992	0.6
287.14996	0.8
295.10269	2.5
300.02753	1.7
300.99844	1.5
301.03217	2.1
302.03568	2.8
303.03934	0.8
313.11395	12.6
314.11862	1.2
327.08832	0.9
341.06567	0.7
343.21268	1.1
344.57355	0.7
357.13400	1.1
373.22144	1.8
385.12915	0.8
403.23413	4.5
423.46701	0.6
505.26837	3.2
506.27017	0.8
507.10941	0.8
547.23798	3.6
565.24896	100.0
566.15936	1.0
566.25165	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	565.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22445	4.1
55.20144	3.9
59.01247	100.0
61.98696	84.6
69.97997	21.1
71.01260	8.8
78.95776	7.3
85.02836	8.1
89.02303	9.7
96.95873	7.0
101.02302	5.9
125.02339	7.0
127.61207	4.3
131.26389	4.0
149.04468	5.9
151.44234	5.0
152.00954	6.8
191.05502	14.7
235.16962	51.6
236.17264	5.4
276.81702	4.4
293.08762	11.0
310.16394	4.7
329.06625	34.3
345.04388	7.2
347.05527	14.3
373.03540	10.2
391.04315	7.9
447.10989	7.0
456.05865	5.0
565.01440	7.0
565.09662	21.0
565.23663	33.3
566.24402	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.6
57.03313	0.9
59.00965	0.6
59.01246	10.2
61.98698	9.9
65.00156	0.5
65.22000	0.3
69.23953	2.1
69.24387	1.7
71.01247	5.4
72.99187	0.8
73.02816	2.6
75.00719	0.6
77.03811	0.9
79.63894	0.4
83.01233	1.1
85.02806	2.5
87.00735	0.7
88.11301	0.4
89.02313	3.8
93.03329	4.9
94.03710	0.4
95.01272	0.6
95.04892	1.0
96.95883	1.3
99.00751	0.9
99.92519	0.4
101.02311	3.7
105.03359	3.2
108.59198	0.3
109.02805	0.7
111.00844	0.5
113.02323	2.4
115.03927	0.4
116.92717	1.7
119.01263	0.8
119.03351	1.0
121.02832	2.6
123.00780	0.7
123.04403	2.4
125.02320	1.1
131.01291	0.4
131.03391	1.0
132.02071	1.9
133.02849	4.9
133.04916	0.7
134.03610	1.1
135.04408	2.0
137.02336	1.0
138.06746	1.2
139.03885	1.7
147.00766	0.7
147.04338	0.5
148.01613	0.8
149.02338	31.3
149.05974	0.6
150.03098	2.2
151.00352	0.5
151.03912	5.3
152.01085	0.5
153.01825	1.5
153.09094	2.4
160.01579	1.6
161.02341	7.8
161.04494	1.2
163.03917	0.9
164.04706	3.5
165.05507	0.6
166.02602	0.6
169.01332	0.8
175.00261	3.9
175.03885	1.5
176.01031	1.4
177.01843	100.0
178.02211	5.1
179.03435	1.4
179.06992	1.0
182.02110	5.0
183.02916	2.2
189.01868	0.4
190.02647	11.3
191.03372	1.6
193.04938	0.5
195.02873	2.4
197.04448	5.6
205.04991	8.9
206.05611	1.3
207.06438	0.4
207.13824	0.7
208.03783	0.4
209.04463	0.6
221.08211	0.9
223.06036	4.1
225.14932	0.8
227.12877	1.1
251.07846	0.6
253.05017	1.7
265.07123	2.0
287.15170	1.2
295.28650	0.4
300.99924	0.6
325.09229	0.6
359.10156	0.8
373.22284	3.5
403.23264	0.9
503.15588	2.9
505.25836	1.1
565.23077	72.3
566.23566	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	565.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24673	0.6
52.13274	0.5
52.16846	0.5
55.01760	2.0
57.03319	2.2
58.00467	1.6
59.01247	99.2
60.01592	1.1
61.98697	3.2
68.31376	0.6
69.32341	3.6
69.32761	2.0
70.36913	0.5
71.01250	30.9
72.81956	0.6
72.99169	3.0
73.02810	7.4
74.98975	1.2
75.00729	0.9
82.83837	0.6
83.01258	4.0
85.02825	10.6
87.00768	2.2
89.02315	14.0
93.03371	0.8
95.01266	2.4
98.19855	1.2
99.00760	2.5
101.02317	23.1
101.80103	0.6
102.02640	0.8
107.04913	1.6
109.02845	1.5
113.02325	12.7
114.02691	0.6
119.03381	4.1
119.04910	0.9
120.99545	2.2
121.02850	1.6
123.04408	0.8
125.02327	2.4
129.01974	0.5
131.03426	1.2
133.02846	1.1
134.03635	1.9
135.04404	12.3
136.01572	1.3
136.99049	0.7
137.02344	1.7
143.03407	1.1
147.04268	0.5
147.08026	0.6
149.02296	1.2
151.03899	0.7
159.02928	2.5
160.01613	0.8
161.02350	1.8
161.04457	11.7
163.03880	0.8
164.04700	1.0
167.03450	0.7
169.01367	1.0
175.00305	1.9
175.03949	1.5
177.01871	1.4
179.03404	1.1
182.05775	2.0
190.02631	2.9
193.05028	0.9
195.06647	0.6
197.08130	1.6
201.11383	0.9
205.04991	2.2
214.68456	0.7
223.06053	0.8
227.03479	1.1
242.05847	1.2
269.14038	0.7
269.17371	0.8
279.34564	0.6
300.10196	0.6
301.00162	0.6
311.12869	0.8
325.14386	2.9
343.15463	100.0
344.15833	9.3
367.10318	1.5
403.23276	1.7
462.06625	0.6
505.20749	69.6
506.21088	9.6
549.19653	1.2
565.17731	1.0
565.24194	1.8
581.60217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
61.98698	0.7
64.24621	0.2
65.00188	1.1
66.75928	0.2
70.57776	0.5
70.58141	0.5
89.00261	0.2
89.02280	0.3
95.01283	0.4
97.02854	0.7
121.02828	0.3
123.00769	1.0
124.01549	12.2
137.02376	0.4
139.00278	0.5
139.03903	5.1
149.99519	0.3
152.01059	40.3
153.01413	1.2
165.01848	3.5
169.04973	0.6
184.00067	0.2
239.07089	0.8
256.07385	6.8
256.10101	0.3
257.07782	0.8
271.09735	100.0
272.10062	9.6
288.06500	0.3
345.04318	0.2
452.07025	0.2
505.03873	0.2
505.35172	0.6
565.22797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
59.00957	0.4
59.01250	8.0
60.99173	0.3
61.98703	5.7
65.00195	0.7
66.51849	0.2
69.03328	0.6
70.14795	0.2
71.01256	2.8
71.04864	0.2
72.99173	0.5
73.02820	0.9
75.00741	0.9
78.42358	0.2
78.95787	0.3
80.42160	0.2
81.03342	0.5
83.01247	0.6
83.04877	0.5
85.02811	1.1
87.00754	0.6
87.04377	0.3
88.98696	1.1
89.02311	1.1
91.01834	0.2
91.76115	0.2
93.03333	0.7
95.01254	0.7
95.04881	0.3
96.95885	0.5
97.02837	0.9
98.20663	0.4
99.00739	0.4
99.04386	0.3
101.02315	1.8
107.01264	0.3
107.04942	0.4
108.02039	1.0
109.02827	1.0
111.00738	0.3
111.08146	0.2
113.02306	1.2
115.00302	0.3
119.03397	0.3
121.02852	1.0
123.00773	0.8
123.04400	3.4
124.01552	7.4
125.02348	1.8
131.04936	0.5
132.02089	0.5
133.02855	0.4
134.03639	0.7
135.02861	0.3
135.04376	0.7
137.00037	0.2
137.02344	1.3
137.05968	0.6
139.00201	0.4
139.03941	2.4
147.04385	0.3
149.02338	0.6
149.04317	0.2
149.05939	0.3
149.99466	0.4
150.03166	0.3
151.00258	0.5
151.03920	0.4
152.01056	25.5
153.01486	1.1
153.05472	3.3
153.09100	0.3
154.05806	0.3
159.04395	1.7
160.01590	1.9
161.02275	0.8
161.04454	0.9
163.03915	0.3
164.39929	0.3
165.01811	2.2
165.05592	0.3
167.03439	1.4
169.01370	1.0
173.04547	0.4
173.05965	2.8
174.03125	0.9
175.03923	6.5
176.04250	1.8
177.01932	0.3
177.04437	0.8
179.03404	0.4
179.05457	0.2
183.10144	1.5
187.03862	0.3
189.01973	0.4
190.02568	0.7
191.03395	0.3
191.05534	0.5
193.05023	0.4
195.06551	0.2
205.04945	0.9
209.04434	0.7
209.06157	0.3
209.11798	0.4
209.15405	0.8
210.06789	3.2
215.07175	0.3
225.05493	0.2
225.11311	0.4
227.16585	0.3
237.05547	0.8
238.06313	7.2
239.06761	0.5
243.12274	0.3
251.16574	0.5
253.08679	7.9
254.09029	0.9
256.07321	2.5
257.08063	0.7
269.08096	0.6
269.17572	0.5
271.09741	100.0
272.10065	9.4
272.12939	0.5
287.14853	0.3
299.09207	0.7
299.98953	0.5
300.99805	0.3
311.09189	0.3
313.05527	0.4
329.10281	0.3
330.05719	0.2
331.24902	0.3
339.10800	0.6
341.10336	3.2
342.10599	0.4
345.04163	0.3
347.05444	0.6
371.11377	2.7
372.11838	0.3
373.03442	0.5
373.16736	0.3
373.22018	0.3
391.04602	0.4
392.89688	0.3
401.12314	0.9
403.17593	0.3
413.14331	0.3
427.14139	0.3
433.28162	0.7
505.20374	0.4
505.35440	0.4
565.08972	0.8
565.22168	3.3
566.23907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.8
57.03330	3.0
59.01251	30.9
60.38106	1.1
61.98701	25.2
70.24120	1.2
71.01255	16.2
72.99172	2.8
73.02808	3.9
75.00744	5.1
81.03321	2.5
83.01257	2.6
83.04874	1.6
85.02823	9.8
87.00745	2.1
89.02294	4.5
93.03342	2.5
95.01257	3.3
99.00732	2.1
101.02330	7.7
107.04897	2.1
108.02053	78.6
109.02844	48.9
110.03146	2.1
111.00748	2.0
113.02337	6.1
117.03363	1.3
119.04863	1.9
120.99499	1.5
121.02828	3.3
123.00750	2.7
123.04402	11.8
125.02309	4.8
126.97600	1.3
132.02055	9.9
133.02417	2.7
134.02611	1.9
134.03632	17.4
135.03935	4.4
135.08109	1.5
136.01561	7.1
137.02309	4.0
143.22902	1.2
147.04291	1.3
147.80687	1.2
149.02290	2.0
149.05981	2.1
150.03142	2.0
151.03053	1.1
151.03931	12.0
152.01057	100.0
153.01854	33.8
153.05438	12.3
153.09093	7.6
154.02231	1.6
159.04352	2.1
160.01563	46.8
161.01897	18.6
161.04425	2.8
161.09633	2.8
162.01999	6.0
163.03847	3.5
163.11212	2.0
165.01813	2.9
165.05519	1.2
169.01265	2.3
173.04507	2.1
175.03920	62.3
176.01039	8.8
176.04256	22.7
177.01596	5.5
177.04388	8.5
178.01509	1.6
179.03464	2.1
187.11246	4.0
189.09158	1.9
190.02580	4.6
191.03403	9.2
191.05318	1.7
192.03784	7.1
193.05057	16.2
194.05260	7.5
195.05450	2.9
197.08041	3.9
205.05006	4.0
205.12262	2.6
207.10332	1.7
209.11790	2.8
210.83220	1.6
289.07230	2.4
299.11362	3.3
299.99158	1.8
315.07233	26.3
316.07581	1.9
329.23514	1.6
359.13586	1.7
431.21509	1.4
502.20389	2.0
503.19269	5.5
505.16998	4.8
521.20172	8.1
522.20630	2.2
527.47510	1.5
547.18713	1.9
564.25214	8.8
565.19025	87.2
565.25824	75.6
566.18665	16.3
566.26459	7.2
591.58118	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	565.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29009	0.6
55.54247	0.5
57.03329	1.9
59.01251	10.4
61.98710	3.1
69.03327	1.2
69.54681	3.5
69.55098	0.8
71.01252	7.2
73.02820	2.6
74.02348	1.0
75.00741	1.6
78.95761	0.6
81.03333	2.1
83.01276	1.2
85.02818	6.2
87.00755	1.5
89.02310	2.0
93.03325	1.7
95.01270	3.5
95.48146	0.6
96.95882	1.0
97.02917	0.6
98.19737	0.6
99.00757	1.9
101.02322	5.0
107.04902	1.0
108.02049	72.9
109.02840	42.7
109.03606	1.0
110.03180	1.1
113.02332	2.7
116.92717	4.7
117.01814	0.8
121.02847	2.2
122.03622	0.9
123.00785	2.8
123.04432	1.9
125.02350	1.7
128.85561	0.6
132.02094	0.9
133.02875	1.4
134.03624	0.9
135.04390	1.6
137.02367	1.1
138.98459	3.6
139.11151	0.8
149.02353	0.8
150.03061	0.8
151.03963	2.8
152.01051	79.7
153.01849	26.3
153.05472	1.1
154.02119	1.1
160.01553	2.1
161.02248	0.6
161.04465	1.1
161.09628	1.6
163.03857	2.0
165.01820	2.4
166.98024	0.7
167.03343	0.9
171.10144	0.9
175.03908	2.6
176.01039	3.4
177.01830	2.3
179.03517	0.7
183.98289	1.4
187.11200	2.1
189.09123	1.4
191.03395	2.5
193.01241	0.7
195.06543	1.3
201.11223	2.5
207.10223	0.9
218.02173	0.9
240.04189	0.7
249.11205	0.7
255.06609	1.9
271.02170	0.7
271.09985	2.9
274.03018	1.2
275.03760	1.1
315.07242	22.9
316.07617	1.6
324.82220	0.7
325.83990	0.6
327.21069	0.6
328.65219	0.6
357.08276	2.4
363.83719	0.7
404.03131	0.6
437.08899	3.9
503.19217	3.7
505.16925	2.5
521.20276	9.3
522.20636	1.6
547.17932	1.2
550.24548	0.7
565.19092	100.0
565.25458	4.2
566.19427	19.6
566.28052	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	565.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.3
61.98695	4.2
70.06324	1.5
70.06721	2.0
78.95767	0.9
84.62914	0.7
89.27198	0.7
95.01272	10.4
97.02848	0.9
104.14589	0.8
108.02045	6.6
109.02831	11.3
123.00783	2.3
124.01536	0.8
137.02293	4.3
138.03123	88.2
139.03490	3.4
153.05475	100.0
154.05823	2.7
165.01828	2.1
181.05011	3.4
197.04428	1.5
203.52348	0.9
256.03592	1.0
261.05557	1.1
267.08179	1.2
269.09714	1.1
271.06067	2.1
293.09677	5.2
303.42776	0.8
306.10526	3.1
307.11209	3.1
308.08426	1.9
309.09201	3.0
319.07587	2.0
321.09183	10.6
322.10016	6.5
323.10623	1.9
324.07809	1.5
336.07925	1.8
336.11520	1.4
337.08707	20.2
337.12421	2.7
338.08990	2.4
351.10425	2.0
352.10995	3.3
353.08066	2.1
353.11826	2.9
354.10275	2.8
366.05240	2.0
367.09720	1.5
368.10504	0.9
371.11023	1.1
379.09570	1.1
381.07620	5.1
383.12756	3.4
385.14423	10.8
386.14450	1.1
387.10110	2.0
397.08533	1.5
398.09442	42.4
399.09784	8.1
411.12378	61.3
412.12796	8.3
413.11877	1.2
415.09592	3.3
426.08713	4.7
427.09531	8.6
430.11954	1.4
431.12396	1.1
441.11279	78.7
442.11612	12.2
453.07437	1.3
456.13672	32.3
457.14542	6.1
458.11377	1.0
469.33289	3.2
471.16077	7.1
472.16251	1.4
473.13907	55.3
474.14270	9.2
485.10284	3.7
488.16248	40.2
489.16696	9.2
500.12869	2.4
501.13101	1.0
503.19135	7.2
504.18890	1.8
515.14722	6.0
516.15308	1.4
519.18121	4.6
547.17474	6.1
548.17896	1.3
565.18573	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38383	0.9
55.01751	1.1
55.50402	0.9
56.92030	0.9
57.03321	3.1
59.01246	46.4
60.81718	1.1
61.38060	1.0
61.98704	13.1
65.00210	1.1
69.03324	1.1
69.31996	4.1
69.32416	5.1
71.01250	18.4
71.01617	1.4
71.04896	1.1
72.99190	2.2
73.02819	6.2
74.02354	2.9
75.00742	6.6
81.03313	1.6
83.01249	2.0
85.02838	6.3
87.00767	4.4
89.02308	8.0
91.01773	1.1
93.03349	3.7
95.01279	1.8
95.04895	1.2
96.95928	1.8
98.19777	2.3
99.00745	2.6
101.02321	11.0
107.01210	1.1
108.02041	4.5
109.02863	6.2
111.00804	1.3
113.02300	5.9
114.86697	1.0
115.51226	1.0
116.03416	2.0
116.92680	5.7
117.01847	3.2
117.03360	2.6
117.05443	2.3
119.01260	1.5
119.03430	3.0
121.02856	8.4
123.00768	2.6
123.04399	2.0
124.01448	1.2
125.02367	5.9
131.03410	1.2
132.02066	15.4
133.02621	4.8
134.03639	20.2
135.04376	9.2
135.08055	1.2
136.04129	1.2
137.02330	3.7
137.09625	2.3
138.03111	1.6
139.00294	2.2
139.03918	1.8
140.01097	1.5
145.02846	1.2
147.04469	1.5
149.02335	7.5
149.04469	1.2
149.06021	3.9
151.00308	3.7
151.03998	1.3
152.01088	6.8
153.01869	4.4
153.05463	6.4
159.02934	1.1
160.01563	72.5
161.01907	32.1
161.04500	3.4
162.02097	9.1
163.03961	1.7
163.07532	2.1
164.04677	5.0
165.01808	2.1
165.05444	1.1
167.03561	1.8
168.00526	1.5
169.01324	4.9
173.04460	2.2
174.03185	1.5
175.00308	7.5
175.03908	70.5
176.04260	37.5
176.05818	1.3
177.01877	4.5
177.04454	9.4
178.02538	1.1
179.03450	3.8
179.05637	1.5
179.07068	1.6
181.08635	2.3
182.02180	3.4
189.01953	1.5
190.02631	15.4
191.03407	2.2
191.05586	3.3
191.07138	1.6
193.01418	3.4
193.04976	27.0
194.05338	13.3
194.06941	1.3
195.05531	3.4
197.04498	18.5
197.06172	1.7
205.05011	17.9
206.05692	2.2
208.03687	1.8
209.04620	1.5
221.08226	1.6
223.06078	6.5
223.09737	1.2
229.01491	1.4
235.06079	2.5
236.06598	1.9
238.61293	1.1
239.05653	2.0
254.99403	1.5
265.07220	3.6
269.98059	6.1
270.98816	1.2
272.80392	1.1
281.87424	1.1
283.99924	1.2
285.00378	10.7
286.01077	1.9
295.08368	1.3
297.97540	29.3
298.00702	2.0
298.98227	4.7
299.99103	1.9
300.99908	3.2
312.99884	52.8
314.00534	6.4
328.02219	62.3
329.02802	13.6
331.06412	1.4
341.03271	1.4
343.04541	100.0
344.04712	9.9
345.04095	1.7
347.05624	1.4
353.03253	3.7
353.08960	3.0
358.04947	1.8
359.05399	2.4
367.10303	23.4
367.14618	1.6
368.11008	1.8
370.99313	1.1
372.20328	2.4
373.22498	2.0
375.27505	2.3
403.23334	1.8
491.08502	1.5
493.30383	1.5
505.25781	1.4
521.07642	2.5
564.25348	45.7
565.25592	94.5
566.26019	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	565.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08254	0.2
59.01247	13.1
60.16811	0.2
60.76284	0.3
61.98378	0.5
61.98697	7.9
62.62405	0.2
65.00195	0.9
67.01751	0.4
67.46040	0.2
68.49083	0.3
68.99772	0.3
69.03327	0.8
71.01255	1.4
73.02832	0.4
75.00748	0.3
81.03343	0.3
83.01243	0.4
83.04921	0.3
85.02813	2.7
87.00763	0.9
89.00158	0.3
89.02304	0.9
93.03331	2.2
95.01234	0.8
97.02834	0.7
98.20598	0.6
99.04377	1.6
101.02312	0.9
107.01274	0.4
108.02055	0.4
109.02824	0.7
111.04398	1.1
113.02329	1.2
121.02849	0.5
122.03632	0.3
123.00761	1.4
123.04420	1.2
124.01547	9.9
125.02369	2.4
131.03432	0.3
133.02872	0.3
135.04347	0.5
137.02310	1.4
139.00313	0.4
139.03905	5.2
143.03421	0.9
149.05991	0.5
149.99460	0.4
151.00235	1.2
152.01051	37.4
153.01453	0.9
153.05458	0.3
154.76448	0.2
155.03423	0.3
160.01578	0.5
161.02333	0.5
163.03940	0.4
165.01857	3.0
168.00557	0.9
169.01349	2.6
169.04953	0.4
173.04480	0.9
175.00339	0.2
175.03938	1.0
176.01106	0.3
179.03375	0.3
184.00104	0.3
189.13185	0.3
191.05521	6.5
191.07144	0.4
195.08061	0.5
211.02390	0.5
239.07280	0.5
245.06226	0.4
253.18085	0.6
256.07391	6.0
256.10086	0.4
257.07819	0.5
261.05542	0.5
263.54413	0.3
271.09732	100.0
272.10074	5.8
273.05527	0.8
285.05536	0.3
289.04971	1.3
299.03351	0.6
300.04227	0.4
301.04980	1.6
313.05823	0.4
315.25385	0.5
317.04514	0.7
321.04086	0.5
323.06808	0.3
327.02945	0.3
329.04523	3.9
330.04938	0.5
331.06342	0.4
345.04004	18.0
346.04590	3.6
347.05560	7.5
348.05853	0.8
357.03998	0.5
359.05634	0.4
361.07260	0.4
373.03479	15.0
374.04004	3.1
375.04590	0.3
385.16870	0.6
387.05142	0.5
391.04593	4.9
392.04810	0.6
405.29971	1.6
415.04633	1.4
433.05719	3.2
434.05685	0.5
505.35370	6.2
519.09448	1.7
520.09833	0.4
529.08228	0.4
547.08777	7.3
548.09253	1.0
565.09869	34.4
565.22485	4.8
566.10175	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	565.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
57.03321	1.8
59.01247	28.8
60.01575	0.7
61.60469	0.4
61.98701	14.6
67.01749	0.7
69.03323	2.1
69.81212	1.5
69.81619	0.8
71.01249	8.9
72.01600	0.6
73.02824	2.6
73.03149	0.4
75.00750	1.5
75.50989	0.4
76.47513	0.6
78.95755	0.6
81.03323	1.1
83.01257	1.5
83.01731	0.5
83.04905	1.8
85.02821	17.7
87.00748	3.4
88.98685	0.9
89.02324	3.9
93.03333	8.0
95.01250	1.1
96.54462	0.4
97.02807	0.5
99.00742	1.0
99.04396	2.4
101.02324	5.5
103.49151	0.5
107.04874	0.6
108.02072	2.3
109.02827	3.0
111.04414	2.2
113.02344	3.6
119.03377	0.9
121.02829	1.0
123.00764	1.9
123.04420	1.6
124.01537	0.5
125.02330	4.5
127.03914	2.7
131.03458	0.7
131.04903	1.0
132.02107	1.4
133.02859	0.7
134.03682	2.5
134.80830	0.5
135.02882	0.8
135.04454	2.2
137.02336	2.0
143.03404	2.1
149.02367	0.8
149.04498	0.7
149.05925	1.0
151.00270	1.4
151.03955	1.3
152.01076	2.3
153.01805	1.6
153.05464	3.1
153.09117	0.6
155.03360	0.7
159.02887	0.6
159.04398	0.6
160.01569	6.0
161.02107	1.0
161.04514	2.2
161.05829	0.4
163.03885	1.0
165.01886	0.5
167.03406	0.6
168.00537	1.1
169.01361	5.1
169.05014	0.5
171.02869	0.7
173.04491	1.7
173.05873	0.5
174.03130	5.6
175.03915	33.3
176.04236	2.5
176.62561	0.4
177.01834	1.0
179.03484	0.8
183.13762	0.5
185.11778	1.8
190.02623	1.1
191.05536	51.8
192.05905	1.8
193.04959	3.5
199.03981	0.6
205.04979	1.3
209.11761	0.7
211.02391	0.9
217.01463	0.6
218.02072	2.5
223.08124	3.3
227.12737	0.7
235.06090	1.5
245.06020	1.9
245.13919	1.3
251.16634	0.7
253.18034	0.8
254.18390	0.9
257.05936	0.9
261.05524	1.4
270.98911	1.2
271.04459	0.7
273.05502	4.1
276.04276	0.8
277.05060	0.8
285.05545	1.1
289.05042	5.3
290.05743	1.1
291.06662	2.3
295.08041	0.7
298.98392	1.1
299.03403	1.2
299.99100	0.7
300.04233	1.2
300.99893	0.9
301.05096	7.2
302.05316	1.0
303.06839	0.7
305.04391	0.5
313.05893	2.6
313.23831	0.7
316.03598	0.9
317.04480	2.9
318.05338	1.5
319.06052	0.9
327.02914	1.1
328.03815	1.7
329.04526	17.3
330.04926	2.7
331.24597	0.7
341.13571	1.2
342.14227	0.8
344.03268	1.3
345.04019	53.3
346.04584	12.5
347.05560	33.0
348.05920	4.1
355.02023	0.7
355.15433	2.0
356.15790	2.6
357.16547	2.1
359.27979	7.6
365.15598	0.6
373.03500	50.0
373.21872	0.8
374.03851	6.3
389.18094	1.6
391.04602	23.6
392.05048	2.7
402.25867	0.9
403.17871	0.6
407.18814	0.8
433.05341	0.6
505.34869	1.4
519.09387	2.1
547.08850	9.5
548.08942	1.5
564.25183	1.7
565.09882	100.0
565.22522	9.9
566.10144	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	565.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.6
61.98698	1.4
67.01742	1.0
69.03319	0.8
69.45177	4.0
71.01248	1.7
75.01077	0.6
79.05474	0.7
81.03349	0.9
83.04909	1.5
85.02821	15.7
87.00758	3.8
93.03336	8.0
96.11060	0.7
99.04403	2.2
109.02826	1.8
111.04449	3.5
125.02310	1.6
127.03928	3.2
143.03378	0.9
153.01857	0.6
155.03444	1.5
156.29756	0.7
157.73126	0.7
169.01375	1.3
173.04478	1.4
191.05544	52.7
192.05875	2.1
211.02419	0.7
220.83578	0.6
245.06070	1.3
257.06046	0.9
261.05582	2.7
263.07175	1.1
270.87347	0.6
271.04562	2.5
271.09827	0.9
273.05545	2.8
274.06250	1.1
289.05066	4.2
290.05591	1.0
291.06607	1.9
300.04065	1.3
301.05005	9.5
302.05325	1.3
303.06424	1.2
316.03711	1.0
317.04514	3.1
318.05341	2.6
319.06113	1.1
328.03738	1.5
329.04483	19.9
330.05112	4.9
344.03226	2.7
345.04031	57.5
346.04739	29.4
347.05569	77.5
348.05927	8.1
373.03506	42.8
374.03873	5.1
391.04617	23.8
392.04892	3.7
405.30338	1.0
505.35269	9.0
519.09558	1.1
547.08533	6.4
548.09290	1.1
565.09875	100.0
565.23822	2.7
566.10303	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	564.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.5
60.01574	1.5
61.01675	1.3
61.98701	100.0
62.98420	0.2
70.28097	0.5
85.69433	0.2
154.61430	0.2
255.11348	0.2
410.31516	0.3
411.31619	0.2
412.32230	0.3
454.30542	0.8
455.30917	1.0
456.30994	2.9
504.34314	0.6
564.35486	0.6
565.10278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12420	0.9
57.03289	1.2
57.28920	0.9
59.01248	37.6
60.01580	1.5
61.98702	29.3
67.01739	1.7
68.22462	0.8
69.03313	1.9
71.01246	4.0
71.51221	1.0
72.99134	0.9
73.02810	1.3
74.25591	0.8
75.00741	1.3
78.95761	0.8
81.03339	1.7
83.01228	1.1
83.04890	1.5
85.02821	7.9
87.00729	2.2
89.02348	1.0
93.03336	10.6
97.02812	1.1
99.04391	3.7
101.02316	1.4
102.50043	0.9
105.14561	0.8
111.00769	1.3
111.04436	2.6
113.02330	3.0
118.13425	0.8
123.00751	1.3
123.04470	0.9
124.01575	1.3
125.02328	9.1
127.03913	1.5
137.02350	1.9
137.09601	0.8
139.03851	1.1
143.03362	1.2
147.04420	1.4
149.02286	0.9
151.00322	1.5
154.02528	0.9
155.03409	1.1
168.00522	1.5
169.01344	9.7
169.04993	1.6
173.04446	6.2
174.03003	1.2
191.05534	17.1
209.11749	1.1
237.11690	1.0
238.06508	0.9
245.06070	1.3
251.16519	1.5
261.05569	2.8
271.22665	1.5
273.05634	3.1
289.05063	3.2
291.06598	2.0
300.04395	1.0
300.99780	1.0
301.04968	6.8
317.04312	1.4
318.05304	1.8
328.03601	1.0
329.04489	13.6
330.05417	4.2
331.06329	1.1
342.27237	1.8
344.03030	1.0
345.04037	50.5
346.04691	19.9
347.05573	58.8
348.06003	6.7
373.03543	28.0
374.04056	4.3
391.04584	25.0
392.05017	2.8
415.04501	4.8
433.05606	4.1
504.34067	3.2
505.35510	4.7
519.09308	2.7
547.08850	14.2
547.22095	2.3
548.09528	1.8
565.09882	100.0
565.22449	10.6
565.32147	4.3
566.10016	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	563.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
59.01248	100.0
60.01587	0.8
61.98700	8.5
71.01248	1.4
71.15446	0.2
72.88435	0.2
72.99176	0.3
73.02778	0.3
75.00757	0.7
77.48691	0.2
78.44323	0.2
83.04888	0.4
85.02839	0.7
85.98061	0.2
89.02342	0.4
90.42965	0.3
90.43517	0.2
95.01292	0.3
98.20624	0.3
99.00792	0.6
101.02311	0.5
101.83153	0.2
109.02818	0.2
113.02344	0.8
122.03638	0.3
123.04420	0.9
125.02334	0.7
135.02895	0.3
143.10707	0.7
145.02852	0.4
161.04446	0.4
165.01894	0.3
167.03444	0.4
169.01335	0.5
175.03998	0.6
183.13805	0.6
185.15427	1.3
195.17465	0.2
209.15475	0.4
233.15439	0.3
267.07153	0.3
281.24933	0.5
297.27921	0.3
313.23923	1.4
327.21881	0.3
341.26913	7.7
341.94025	0.3
342.27463	0.9
365.27124	0.5
403.28604	0.4
411.29285	0.3
441.29590	0.3
453.30206	0.3
471.31021	1.5
472.31256	0.3
483.31161	0.9
503.33813	8.4
504.34134	1.3
547.32922	0.4
554.71545	0.2
555.59534	0.3
563.22333	0.4
563.30316	1.3
563.36511	1.2
586.52460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.5
59.01248	76.2
60.01581	0.6
61.74088	0.3
61.98697	1.0
66.03800	0.3
69.22314	0.8
69.22720	2.8
71.01256	0.7
71.04883	0.3
75.00748	0.7
76.90721	0.3
83.94924	0.3
97.71280	0.3
101.05983	0.5
109.92872	0.3
123.08092	0.3
151.07510	0.4
223.14787	0.4
247.54343	0.3
269.00824	0.6
280.19418	0.3
307.24249	1.4
312.02472	0.4
377.28470	1.0
391.30322	0.8
393.27417	0.4
393.31659	1.2
405.32077	0.4
411.32858	0.7
419.29453	2.9
420.30072	0.4
421.31110	25.4
422.31528	4.8
423.32724	0.4
439.32132	8.1
440.32639	1.1
441.33713	7.5
442.34344	1.6
445.33823	0.4
453.30093	0.5
457.33145	0.5
459.34787	8.7
460.35129	1.4
483.31061	1.0
485.32693	25.6
486.33142	4.2
503.33762	100.0
504.34134	18.3
504.40063	0.3
521.34650	0.5
547.32776	14.9
548.33215	2.8
563.26971	1.0
563.35815	8.1
564.36121	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	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01918	0.5
54.07768	0.4
59.01251	7.8
60.14143	0.4
61.98703	2.6
71.01258	0.6
72.99181	1.9
73.02806	0.7
73.94640	0.4
75.00745	100.0
76.01092	0.8
79.40663	0.4
111.55865	0.5
239.26242	0.5
272.75400	0.5
295.24713	0.5
371.26321	0.7
371.30853	0.5
563.26770	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	563.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70143	0.3
57.03331	0.6
58.00493	0.5
59.01250	100.0
60.01582	1.3
61.98700	11.9
67.53709	0.3
69.03319	0.4
70.91411	0.4
70.91736	0.5
71.01255	2.6
72.99173	0.3
73.02817	1.3
75.00739	0.6
78.91743	1.9
83.04909	0.5
85.02825	1.8
89.02322	0.9
93.03344	0.7
95.01294	0.4
97.02796	0.5
97.06448	0.4
99.04408	0.9
101.02349	1.3
108.02068	0.9
109.02842	0.9
113.02369	1.0
115.00293	0.4
119.04929	0.5
119.07701	0.3
121.02841	0.5
122.03642	1.0
123.04424	3.0
124.04721	0.3
125.02356	1.2
135.04422	1.0
137.02301	0.6
137.09656	0.5
145.02835	1.0
147.04391	0.6
147.48233	0.3
149.09566	0.5
150.03198	0.4
151.00197	0.3
152.01051	1.5
153.05482	1.4
160.01601	0.4
161.02301	0.5
161.04504	0.7
167.03444	2.3
169.01366	0.7
171.10164	0.6
175.03856	1.0
175.11223	2.6
179.03488	0.5
191.05580	1.0
209.11772	0.7
215.14256	0.4
233.15375	0.7
253.09395	0.5
271.04578	0.5
325.21838	0.5
327.21924	1.1
341.26880	0.8
343.22784	0.7
353.24664	0.4
355.26538	0.5
363.83035	0.3
371.15170	0.4
371.26462	0.4
373.27536	2.5
373.73395	0.3
381.24234	0.5
385.27612	1.0
397.27298	1.3
403.28528	16.7
404.28934	2.6
405.28287	0.4
409.27145	0.7
411.29059	3.6
419.28970	0.4
421.31113	1.1
425.30646	0.3
427.28485	1.3
428.19449	0.4
429.30081	2.7
430.30276	0.5
437.30484	1.1
439.28116	0.9
439.32965	0.6
443.31720	0.7
449.30719	0.4
450.24808	0.4
455.31662	2.6
457.29205	5.8
458.30060	1.3
465.29590	0.4
467.31662	1.4
473.32996	1.7
474.33014	0.5
475.34177	1.0
483.31046	1.4
485.32715	2.2
503.33774	80.1
504.34161	12.9
531.06158	0.4
563.20313	0.8
563.29401	0.5
563.36603	3.3
564.36230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66389	0.2
52.98957	0.2
58.68017	0.2
59.01248	100.0
59.52356	0.2
60.01577	1.1
61.98706	0.2
67.10141	0.2
70.52362	0.6
72.21353	0.2
97.14800	0.2
124.93234	0.2
135.56528	0.2
143.45047	0.2
173.79460	0.2
261.84827	0.2
283.24765	0.2
291.86182	0.2
309.84204	0.2
393.31894	0.3
407.29272	0.2
409.31186	0.4
421.31137	0.5
439.31790	0.3
440.03021	0.2
441.33798	1.2
502.21091	0.2
503.33755	6.7
504.34109	1.4
563.26892	0.3
563.35852	6.7
564.36267	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	563.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01583	1.2
61.98705	0.7
69.37606	0.7
71.32274	0.1
82.84458	0.1
85.48013	0.1
95.58485	0.1
101.02383	0.1
106.59994	0.1
179.30879	0.1
203.35555	0.1
363.26587	0.1
379.29971	0.1
401.28156	0.1
402.28625	0.1
409.31143	1.1
410.31464	0.2
421.31091	0.3
427.32147	0.2
434.09732	0.1
439.31570	0.1
440.32587	0.1
441.33521	0.5
473.32465	0.2
503.33780	4.2
504.34167	0.8
560.24799	0.1
563.35840	5.7
564.36249	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	563.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03318	0.7
59.01250	6.3
61.98701	0.6
69.22590	2.3
71.01251	4.4
71.04902	0.3
72.99178	0.3
73.02818	0.8
74.35777	0.2
82.85770	0.2
83.01263	0.8
85.02821	1.8
87.00737	0.5
89.02306	2.0
89.03845	0.6
95.01253	0.2
95.04927	0.3
97.02827	0.4
99.00751	0.5
101.02321	2.6
102.08745	0.2
104.02552	0.4
105.03356	0.6
106.76627	0.2
111.04381	0.4
113.02336	1.2
117.03349	2.2
119.03425	0.5
119.04893	0.3
122.20126	0.2
123.04417	0.3
131.03340	0.5
132.02061	22.1
133.02896	3.3
134.03627	33.1
135.04068	1.3
136.01575	0.4
137.02330	1.1
137.09616	0.3
138.06757	2.4
139.03937	0.4
147.04398	0.4
148.05226	0.3
149.02347	0.2
149.04367	0.3
149.04776	0.4
149.06001	4.2
153.05458	0.3
153.09122	5.4
160.01564	99.6
161.01904	4.8
163.11229	0.2
175.03917	100.0
176.04274	5.6
177.01878	0.6
177.05447	0.4
178.02608	1.0
179.03384	1.6
180.04266	0.6
191.05525	0.3
191.07062	0.6
193.04985	33.1
194.05304	1.6
195.06602	0.3
207.13934	0.5
225.14879	2.1
235.06010	1.4
251.05591	0.2
255.06464	0.4
265.07025	0.3
276.32782	0.2
281.06686	0.5
295.08118	0.3
337.09491	0.6
373.67838	0.2
445.37714	0.2
451.79471	0.2
548.22632	0.4
563.24921	82.4
564.25250	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	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93491	0.4
57.03313	0.9
59.01253	9.4
61.98691	1.5
69.03371	0.4
71.01257	5.5
71.38625	0.6
72.99196	0.4
73.02808	1.5
75.15394	0.3
83.01265	0.6
85.02820	1.8
89.02322	2.2
89.03840	0.5
93.03330	0.5
95.01254	0.4
101.02333	2.7
104.02586	0.4
107.04900	0.8
111.00799	0.6
113.02325	1.7
114.93291	0.4
117.03358	2.1
119.03438	0.4
119.04885	0.4
121.02763	0.4
123.08032	0.4
125.02322	0.5
125.05932	0.5
131.03383	0.7
132.01053	0.6
132.02068	20.3
133.02924	2.8
134.03633	28.9
135.04434	0.9
137.02356	0.7
138.06778	1.9
149.02391	0.5
149.04767	0.4
149.05991	3.9
151.03899	0.4
153.09120	5.0
160.01572	93.0
161.01901	5.1
161.04413	0.5
162.34364	0.4
169.01216	0.4
174.03120	0.4
175.03922	100.0
176.01027	0.4
176.04259	6.4
177.01862	0.7
177.05481	0.6
178.02614	1.1
179.03386	1.0
190.02626	1.7
191.07066	0.8
193.04996	33.8
194.05367	2.0
199.09225	0.4
205.05038	2.1
221.04410	0.7
223.06046	0.4
225.14937	1.9
235.06105	1.6
235.46692	0.4
236.06410	0.4
337.09213	0.8
371.20743	0.8
503.25116	0.6
561.31482	0.5
563.25006	89.3
564.25305	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	563.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
57.03313	1.0
58.00475	0.3
58.60539	0.1
59.01250	10.6
59.98028	0.1
60.01586	0.2
60.52311	0.1
61.98702	2.6
69.03307	0.2
69.26453	1.4
71.01250	6.5
71.04881	0.3
72.01654	0.2
72.99174	0.4
73.02822	1.1
82.16256	0.1
83.01254	0.7
85.02824	2.1
87.00758	0.4
89.02316	3.8
89.03840	0.7
93.03296	0.2
94.00400	0.2
95.01253	0.4
95.04885	0.3
97.02835	0.4
99.00764	0.5
101.02325	3.2
105.03336	0.5
106.04105	0.2
107.04897	0.2
108.02041	0.4
109.02816	0.3
109.06496	0.2
111.00711	0.2
113.02329	1.8
113.53614	0.2
117.03336	2.2
119.03387	0.6
119.04880	0.3
121.02857	0.3
122.03661	0.2
123.04420	0.5
125.02327	0.6
125.15628	0.2
131.03391	1.5
131.07072	0.3
132.02063	21.8
133.02905	2.7
134.03627	32.9
135.04243	1.1
137.02328	1.2
137.09619	0.3
138.06770	2.3
139.03885	0.2
145.02884	0.4
145.06493	0.2
147.04410	0.5
148.05231	0.2
149.02429	0.4
149.04463	2.0
149.05992	3.9
149.09628	0.2
150.03119	0.2
151.00272	0.2
151.03864	0.3
152.01074	0.4
153.05461	0.5
153.09109	4.8
154.09448	0.3
160.01566	98.3
161.01907	5.1
161.04463	0.5
161.05777	0.2
162.03152	0.3
163.03903	0.2
163.11198	0.3
165.11295	0.2
165.12643	0.2
169.01367	0.2
174.03104	0.4
175.03918	100.0
176.04262	4.9
177.01854	0.6
177.05438	0.5
178.02657	1.0
179.03412	1.3
180.04170	1.9
190.02606	0.2
191.05531	1.1
191.07095	0.5
193.04985	35.4
194.05373	1.9
195.06538	1.8
202.02734	0.3
202.06136	0.2
203.03395	0.2
205.04915	0.3
207.06715	0.3
207.13892	0.4
213.05354	0.2
221.04547	0.4
225.14899	2.6
227.07114	0.2
227.12848	0.2
235.06102	1.6
245.22110	0.2
251.05511	0.2
255.06604	1.5
256.07004	0.2
265.07037	0.3
277.07144	0.2
279.06689	0.2
281.06543	0.2
295.08313	0.3
300.99796	0.2
314.04498	0.2
337.09311	0.8
548.22308	0.3
563.24902	88.8
564.25287	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	563.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32487	0.3
57.03321	1.3
59.01245	9.2
61.98703	2.1
63.09398	0.5
69.42340	0.9
69.42742	2.6
71.01263	5.6
72.99181	0.4
73.02819	2.1
83.01256	0.5
85.02817	2.1
87.00762	0.5
88.51149	0.3
88.99274	0.3
89.02319	2.8
96.95906	1.0
101.02294	2.9
105.03341	0.8
109.02888	0.6
113.02322	2.1
117.03358	1.8
119.03393	0.9
121.02946	0.5
132.02065	19.0
133.02916	3.0
134.03629	26.3
135.04367	1.9
137.02335	1.1
147.04416	0.5
149.05969	3.8
150.03033	0.5
160.01567	93.7
161.01903	4.7
175.03918	100.0
176.04274	5.2
177.01819	1.3
178.02608	0.6
179.03442	1.9
187.03896	0.6
191.05518	1.1
191.07083	0.8
193.04987	29.9
194.05356	1.4
200.04683	0.5
207.06532	0.9
208.40959	0.4
209.11818	0.5
212.52391	0.4
221.04652	0.6
225.14832	0.7
235.06049	2.7
265.07135	0.6
283.13336	1.9
297.11865	0.7
301.14627	0.5
337.07144	1.8
338.07523	4.6
345.16998	1.2
373.74683	0.4
563.24982	88.5
564.25311	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	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03320	1.8
58.00462	2.0
59.01250	100.0
60.01588	1.0
61.98703	6.6
69.03326	5.4
69.35204	0.6
69.35529	5.2
71.01251	33.7
71.04909	1.6
72.99181	3.9
73.02811	4.3
75.00744	1.3
83.01254	2.8
85.02821	9.2
87.00763	2.3
87.04384	1.4
89.02316	40.9
90.02677	0.7
93.03315	1.1
95.01286	1.8
95.04900	0.7
96.95916	1.2
97.02859	0.7
99.00780	1.6
99.04391	0.8
101.02322	21.9
108.02068	1.2
109.02851	1.7
111.00764	1.3
113.02332	15.3
119.03391	16.4
119.04891	1.3
120.47575	0.6
121.02876	0.9
123.00784	1.4
123.04441	1.3
124.01581	1.0
125.02342	6.7
129.01869	0.7
131.03418	2.1
133.02831	1.1
134.03670	1.4
135.04387	1.6
137.02435	0.8
143.03392	3.8
144.62794	0.5
145.02888	2.3
149.02332	1.0
149.04475	2.1
149.05942	0.9
150.03160	0.8
151.00255	1.1
151.03918	1.4
151.06046	0.9
152.01112	1.7
160.01653	1.4
161.02377	1.9
161.04459	3.8
161.05658	0.6
163.03938	2.1
169.01353	2.4
173.04460	0.8
175.00308	0.5
175.04001	2.2
177.01874	1.7
177.05643	0.6
179.03389	1.0
179.05542	8.6
180.04242	1.0
189.01852	1.0
190.02676	1.2
191.03491	1.0
191.05551	1.1
193.05070	1.6
194.05534	0.8
195.02882	0.7
201.02054	0.8
205.05029	1.1
211.02666	0.6
217.01505	0.8
221.04622	0.6
246.61397	0.5
267.16049	4.2
269.14017	2.0
269.17554	1.0
274.00635	0.7
275.01862	1.3
283.76868	0.6
291.10211	1.0
295.10522	0.8
300.99866	3.6
302.00064	0.6
305.40659	0.6
311.13080	0.7
313.11401	1.4
323.12820	8.3
341.06738	0.9
341.13931	7.8
342.14374	1.2
391.02802	0.9
446.92325	0.6
463.12668	1.3
503.19196	6.2
503.31476	1.0
504.20148	0.7
542.06451	0.6
563.14240	1.4
563.23029	1.9
563.26172	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	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03320	1.8
58.00462	2.0
59.01250	100.0
60.01588	1.0
61.98703	6.6
69.03326	5.4
69.35204	0.6
69.35529	5.2
71.01251	33.7
71.04909	1.6
72.99181	3.9
73.02811	4.3
75.00744	1.3
83.01254	2.8
85.02821	9.2
87.00763	2.3
87.04384	1.4
89.02316	40.9
90.02677	0.7
93.03315	1.1
95.01286	1.8
95.04900	0.7
96.95916	1.2
97.02859	0.7
99.00780	1.6
99.04391	0.8
101.02322	21.9
108.02068	1.2
109.02851	1.7
111.00764	1.3
113.02332	15.3
119.03391	16.4
119.04891	1.3
120.47575	0.6
121.02876	0.9
123.00784	1.4
123.04441	1.3
124.01581	1.0
125.02342	6.7
129.01869	0.7
131.03418	2.1
133.02831	1.1
134.03670	1.4
135.04387	1.6
137.02435	0.8
143.03392	3.8
144.62794	0.5
145.02888	2.3
149.02332	1.0
149.04475	2.1
149.05942	0.9
150.03160	0.8
151.00255	1.1
151.03918	1.4
151.06046	0.9
152.01112	1.7
160.01653	1.4
161.02377	1.9
161.04459	3.8
161.05658	0.6
163.03938	2.1
169.01353	2.4
173.04460	0.8
175.00308	0.5
175.04001	2.2
177.01874	1.7
177.05643	0.6
179.03389	1.0
179.05542	8.6
180.04242	1.0
189.01852	1.0
190.02676	1.2
191.03491	1.0
191.05551	1.1
193.05070	1.6
194.05534	0.8
195.02882	0.7
201.02054	0.8
205.05029	1.1
211.02666	0.6
217.01505	0.8
221.04622	0.6
246.61397	0.5
267.16049	4.2
269.14017	2.0
269.17554	1.0
274.00635	0.7
275.01862	1.3
283.76868	0.6
291.10211	1.0
295.10522	0.8
300.99866	3.6
302.00064	0.6
305.40659	0.6
311.13080	0.7
313.11401	1.4
323.12820	8.3
341.06738	0.9
341.13931	7.8
342.14374	1.2
391.02802	0.9
446.92325	0.6
463.12668	1.3
503.19196	6.2
503.31476	1.0
504.20148	0.7
542.06451	0.6
563.14240	1.4
563.23029	1.9
563.26172	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68784	1.6
57.03319	3.6
58.00469	1.8
58.15069	1.5
59.01249	83.7
60.01589	1.9
61.98704	31.6
69.03323	2.2
69.43435	5.9
69.43864	7.0
71.01250	28.9
72.99185	2.8
73.02821	9.0
75.00756	9.8
83.01252	4.7
83.04919	2.6
85.02824	12.1
87.00746	6.3
89.02312	11.5
91.36526	1.7
93.03329	11.8
95.01262	4.7
96.95884	2.3
97.02850	3.2
98.19753	1.7
99.00765	3.3
99.04421	1.6
101.02328	18.4
107.04917	2.0
108.02048	3.7
109.02814	5.1
111.00761	2.8
113.02312	9.0
117.03341	2.6
119.03405	3.6
119.04907	4.0
121.02826	3.9
122.03622	2.1
123.00762	4.4
123.04408	5.6
125.02328	10.3
131.04877	2.3
132.02081	6.0
133.02858	5.6
134.03645	17.8
135.02888	2.5
135.04439	10.7
137.02357	8.9
145.02863	9.8
147.04407	2.1
149.02330	2.6
149.04471	1.6
149.05975	5.2
151.03909	4.7
157.06459	1.6
159.02969	2.1
160.01552	36.1
161.02213	4.9
161.04459	7.0
163.03908	3.2
165.07597	2.0
167.03476	3.1
169.01329	11.5
169.05067	2.3
170.22438	1.8
173.02353	2.5
173.04433	6.9
173.05804	2.9
174.03137	15.2
175.03925	86.7
176.01021	3.4
176.04401	5.6
177.01810	3.4
178.02548	3.2
179.03415	3.0
179.05577	3.2
187.03899	3.8
190.02597	2.3
191.05547	23.7
191.07100	3.8
193.05017	13.4
207.05103	3.2
209.11829	1.8
211.13417	2.3
225.05431	1.8
233.06161	2.1
235.06042	6.8
239.06937	2.2
243.12289	5.1
251.12708	1.6
253.18085	22.5
267.15891	1.8
271.04825	1.7
295.08264	3.4
301.00146	2.5
309.11682	2.0
327.12888	4.0
336.08740	1.7
340.13153	35.2
341.13702	11.4
345.16907	2.4
355.15475	100.0
356.15924	12.6
357.26517	2.7
359.28107	3.4
371.14709	3.8
381.07523	6.8
382.08289	8.4
383.09140	3.6
400.09552	22.7
401.10028	5.7
401.15402	2.2
401.25574	3.7
503.24936	2.0
563.24768	31.5
564.25104	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	563.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01246	12.0
61.98696	3.9
69.03315	0.3
71.01245	3.1
71.04884	0.2
71.50970	0.4
72.99173	0.6
73.02811	2.1
75.00718	0.4
81.03313	0.2
83.01253	1.7
83.04879	0.2
85.02816	1.2
87.00755	0.5
87.04372	0.4
88.31381	0.2
89.02318	1.5
91.71804	0.2
93.03345	0.8
95.01271	0.3
95.04903	0.3
97.02840	0.3
97.06423	0.2
98.95467	0.3
99.00787	0.4
99.04430	0.2
101.02325	2.2
107.01269	0.3
109.02840	0.4
111.00698	0.3
113.02322	0.8
117.03355	0.3
119.03327	0.5
119.04888	0.2
121.02840	0.3
123.00782	0.4
123.04412	0.7
125.02320	1.1
125.09795	0.2
127.07584	0.2
130.04106	0.3
131.04921	4.5
132.02028	0.5
133.02806	0.5
134.03629	0.7
135.02818	0.3
135.04323	0.3
136.43741	0.2
137.02322	0.6
137.09525	0.2
139.00206	0.2
139.03912	0.2
139.11179	1.5
144.44661	0.2
145.02841	0.3
147.04384	1.3
149.02367	0.7
151.03929	0.3
151.07520	0.2
157.02859	0.4
158.03589	0.4
159.04349	0.2
160.01540	2.2
161.02261	0.6
161.04445	0.8
163.03944	0.4
165.01926	0.2
165.09117	0.3
167.03438	0.3
168.00499	0.2
169.01424	1.0
169.12247	0.4
172.05284	0.2
173.02390	0.4
173.04538	0.4
174.03142	11.5
175.03914	100.0
176.01036	0.5
176.04263	5.8
177.01820	0.3
179.05487	0.4
179.10657	0.3
181.12231	0.7
183.10188	3.1
187.03922	0.7
189.01839	0.4
190.02760	0.2
191.03433	0.6
191.05513	0.6
193.04924	0.4
197.11781	0.4
199.07515	0.2
199.13333	0.3
211.02380	0.2
217.05005	0.6
218.02132	1.4
225.11252	2.5
243.12370	6.0
244.12672	0.6
249.11198	0.2
253.18054	0.5
267.12305	0.6
271.04672	0.3
285.13361	1.5
291.12479	0.5
309.13467	0.3
315.14569	0.4
322.82742	0.2
327.14639	1.2
341.06839	0.2
345.15408	1.3
387.16568	4.0
388.17105	0.5
401.15784	0.4
401.25345	0.3
405.17560	1.8
406.18295	0.2
427.76053	0.2
503.24896	0.3
503.32971	0.4
563.25452	2.0
564.25244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.6
58.04047	0.9
59.01248	70.9
60.99162	1.0
69.89688	4.0
71.00855	1.4
71.01251	26.0
72.99180	11.2
73.02802	1.5
75.00747	3.4
75.92239	0.9
76.16119	0.9
83.84071	0.9
87.00737	1.9
89.02315	100.0
90.02642	2.1
95.96976	0.8
96.95893	0.8
99.00754	4.7
101.02316	1.9
113.44890	0.9
115.00253	3.8
116.66817	0.9
117.01818	87.8
118.02171	1.3
119.04924	2.5
123.00797	1.0
125.02247	0.9
132.70285	0.9
133.01328	11.8
135.02885	19.6
145.01302	3.4
146.89786	0.9
149.04446	2.7
161.00836	17.8
163.03883	2.7
164.76962	1.0
164.78590	0.8
169.01334	1.2
191.05528	1.9
221.02940	12.2
221.04787	1.1
221.06627	2.0
245.21751	0.8
300.99979	1.2
322.42712	1.1
327.08716	4.7
341.10800	2.6
369.11914	1.1
386.12744	1.0
563.15900	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	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.7
59.00958	1.8
59.01249	34.5
61.98701	4.9
62.86902	0.9
65.00198	1.6
68.70751	0.9
71.01253	19.7
71.51552	1.2
72.99177	1.7
73.02805	5.0
77.75671	0.9
78.38660	0.8
79.21994	0.8
81.03371	0.9
83.01248	3.4
85.02820	5.9
87.00752	2.9
89.02317	20.0
93.03319	2.2
95.01277	2.1
95.04893	1.6
96.95871	2.1
97.06487	1.2
98.24468	0.9
99.00764	2.3
101.02312	13.7
107.01258	3.4
107.04881	1.5
108.02029	3.9
109.02837	4.4
109.60239	0.9
113.02355	6.6
119.03383	4.6
119.04885	1.2
121.02845	2.3
123.04408	1.5
124.01520	3.4
125.02332	5.5
131.03394	5.3
133.02817	1.8
134.03613	1.3
135.02907	1.1
135.04411	3.5
137.02319	2.9
139.03903	1.7
143.03432	1.1
145.02843	1.1
147.00798	1.0
148.01514	1.7
149.02336	1.7
149.04433	5.4
150.03108	5.9
151.00262	9.8
151.06033	1.5
152.01044	1.3
153.01743	1.5
157.08618	1.8
159.04478	0.9
160.01535	2.8
161.02333	3.6
161.04433	2.5
161.09592	1.6
163.00259	3.0
163.03824	1.7
164.01065	1.4
165.01828	5.5
165.05482	4.0
167.03387	1.5
169.01300	5.1
173.02309	1.1
174.03139	1.9
175.03874	2.3
177.01855	2.4
178.99832	6.5
179.03456	1.6
179.05484	2.6
180.04156	6.0
187.03929	1.4
187.11253	1.5
189.01805	2.2
189.09135	1.7
190.02599	2.6
191.03786	1.2
191.05406	4.8
191.66765	1.2
192.00635	1.1
193.04942	1.3
195.06586	9.0
199.03896	1.6
201.05350	1.4
203.03409	1.4
203.81596	0.8
205.05104	1.4
205.12296	1.7
207.06578	1.8
207.10268	1.4
210.05295	1.3
211.03920	1.1
215.03284	1.0
217.01331	2.0
219.02931	1.1
220.28946	0.9
223.13277	1.3
225.07596	6.7
227.03452	4.7
227.12669	1.1
243.02957	11.8
244.03413	1.3
249.11339	1.7
254.02126	1.3
255.00269	1.2
255.02954	28.2
256.03290	2.4
271.02457	59.5
272.02859	6.4
273.04019	1.3
280.88785	1.2
295.10114	1.9
299.01913	2.0
300.02719	100.0
300.99866	3.4
301.03384	31.8
302.03836	1.9
313.11319	5.2
323.07895	1.0
331.06747	1.1
337.09216	2.8
350.85577	1.1
367.10052	4.2
371.20877	5.6
373.07651	3.1
401.21732	2.6
447.09244	1.1
463.08768	14.6
464.08975	1.4
503.24835	4.1
505.09906	17.8
506.10394	3.0
545.13141	4.8
546.13232	1.6
563.13953	54.3
563.23352	22.9
564.14191	8.3
564.23456	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	563.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21521	0.7
59.01256	3.2
61.03226	0.5
61.98688	1.2
71.01250	4.5
71.50372	0.8
72.99177	1.9
73.02804	1.0
73.68271	0.5
74.98959	1.1
75.00745	8.3
84.64827	0.6
85.02811	1.1
87.00749	3.1
89.02309	2.9
93.03330	17.8
94.03609	0.7
96.95889	2.7
96.99206	3.1
101.02323	1.9
108.02054	0.8
109.02827	1.0
111.00749	0.6
113.02290	1.0
115.00236	5.1
117.01757	1.0
117.03318	1.2
119.04063	1.2
119.04912	23.8
120.05280	0.8
121.02843	1.1
123.04424	1.4
125.02328	1.3
130.04179	0.6
131.04947	3.4
133.02827	2.4
135.02890	32.6
135.04417	1.3
136.03264	1.0
137.02357	0.7
139.00194	0.7
143.04922	16.5
145.02829	1.4
145.06459	1.3
147.04315	0.8
149.02313	1.1
151.00235	0.7
151.03833	0.6
159.04442	1.1
161.02412	0.9
163.03918	17.5
164.04327	0.8
167.03485	0.7
171.04425	2.2
173.04509	0.8
175.02414	8.8
177.01872	0.9
177.05458	1.2
191.05501	0.8
191.07150	0.6
192.75528	0.6
193.01503	0.7
193.03456	1.1
205.01205	0.8
205.04889	0.6
209.06093	0.6
211.07591	6.0
221.09702	0.7
223.07608	1.2
235.07634	3.4
237.09212	10.0
238.09529	1.4
239.10782	2.2
253.08611	0.9
253.70987	0.5
265.08682	20.2
266.08932	1.9
283.09766	5.2
300.99905	1.0
309.07657	6.9
327.08719	100.0
328.09058	11.6
329.09244	1.9
357.08984	1.1
387.11349	1.0
392.39749	0.7
427.10321	0.9
445.11353	17.7
446.11688	2.3
563.14008	27.0
564.14569	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	561.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01249	100.0
60.01568	1.2
61.98706	3.4
71.01257	0.5
73.80894	0.2
75.00745	0.3
78.95770	0.3
85.02809	0.4
93.54293	0.3
98.19811	0.5
98.42957	0.2
111.04368	0.2
113.02333	0.2
113.38950	0.2
125.02353	0.3
171.10239	0.3
175.03951	0.4
252.01746	0.2
295.57449	0.2
385.10706	0.3
392.27573	0.3
407.29620	0.3
427.12097	0.5
437.91724	0.3
469.30103	0.7
489.35229	0.9
501.32220	6.2
502.32419	1.5
545.31647	0.3
561.14386	0.5
561.34375	1.4
562.34399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.9
65.06796	0.2
70.83254	0.7
71.01254	2.9
72.99187	2.7
73.02837	0.2
75.00745	29.2
78.95774	0.3
83.01224	0.3
83.02376	0.3
87.00745	2.0
87.83711	0.2
89.02316	5.0
93.03316	1.9
96.95886	5.6
96.96843	0.3
98.02338	0.4
109.02866	0.4
111.00751	0.5
113.02294	0.4
115.00254	2.7
115.79060	0.2
117.01814	1.6
117.03265	0.2
119.04913	12.8
120.05234	0.5
121.02842	0.3
122.03609	0.2
123.04457	0.2
125.02355	0.5
131.04927	0.3
133.02840	0.2
135.02887	100.0
136.03230	2.3
137.02315	0.4
139.00264	0.9
143.04878	1.5
145.06503	0.4
151.00232	0.3
157.01389	1.1
163.03914	9.8
164.04259	0.4
169.01370	0.3
175.02402	4.3
177.01845	0.3
178.99799	0.4
193.01385	0.2
211.07628	2.5
235.07614	0.3
237.09219	0.9
239.10782	0.6
265.08698	1.6
283.09741	1.8
293.09366	0.2
300.99878	0.3
309.07724	0.5
327.08737	13.1
327.85672	0.3
328.09058	1.3
369.19998	0.2
387.11676	0.7
445.11447	2.3
446.11969	0.6
483.14279	0.3
501.14780	0.4
552.02380	0.3
563.14087	5.5
563.22394	0.3
564.14362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01598	0.9
61.98702	1.3
65.35513	0.3
65.54533	0.4
72.53848	0.4
78.95773	15.3
96.95881	0.4
96.96841	1.8
98.20601	0.8
99.92452	0.5
116.92729	2.6
122.98404	0.6
126.34717	0.4
136.34239	0.3
152.99481	17.1
153.99825	2.0
154.99951	0.6
229.14484	0.4
265.43655	0.4
373.29013	0.6
375.26849	0.5
389.28479	0.6
391.29886	2.4
409.31079	10.5
410.31625	1.6
430.06918	0.4
435.29108	1.5
453.30075	66.6
454.30429	11.7
471.30713	0.4
501.31982	0.6
561.29718	10.9
562.30627	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	561.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.1
59.01251	100.0
59.96362	0.1
60.01586	1.2
61.98720	0.3
63.74420	0.1
69.74029	0.6
69.74461	0.2
83.04878	0.1
83.08689	0.1
97.54433	0.1
123.08038	0.1
133.42319	0.1
166.55676	0.1
189.12866	0.1
353.28491	0.1
373.29221	0.2
375.27026	0.3
389.28461	0.5
391.30078	1.5
392.30502	0.2
409.31125	5.2
410.31744	0.9
435.28979	1.3
453.30090	36.2
454.30435	6.8
454.36984	0.2
483.30386	0.2
501.32086	0.8
561.34473	2.6
562.34503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73372	0.2
59.01252	100.0
60.01588	1.2
61.98704	13.8
70.80573	0.3
70.80923	0.4
71.01248	0.9
75.00765	0.5
85.02849	0.5
86.03284	0.2
87.00716	0.3
89.02338	0.5
96.95904	0.2
99.00788	0.2
101.02334	0.5
110.11195	0.2
111.04405	0.2
113.02350	0.4
125.02369	0.3
137.02356	0.3
145.02921	0.4
146.58231	0.2
147.04478	0.2
161.02344	0.2
163.03969	0.3
163.79897	0.2
167.03418	0.3
167.43959	0.2
171.10179	0.2
175.04039	0.3
177.01857	0.2
209.11835	0.3
295.02423	0.2
311.22256	0.3
339.25482	0.3
341.06723	0.4
369.23254	0.2
391.30017	0.3
401.72348	0.2
409.31311	0.3
453.30075	13.3
454.30380	2.6
501.31738	0.5
561.27869	0.6
561.35968	1.8
562.35498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71687	0.3
55.01765	0.9
57.03320	1.8
58.00465	0.8
59.01251	100.0
59.70186	0.4
60.01601	0.8
61.98693	2.7
69.03329	0.9
69.49791	2.9
71.01255	21.5
72.99180	1.1
73.02821	6.3
75.00745	1.2
79.80527	0.4
81.03330	0.8
83.01261	3.2
85.02824	10.0
87.00759	1.4
87.04371	0.6
89.02321	11.2
93.03332	2.0
95.01273	1.5
96.95885	2.8
97.02816	0.7
98.19785	0.4
99.00756	2.5
99.04407	1.5
101.02325	17.7
101.07411	0.4
102.02612	0.4
108.02071	0.9
109.02834	1.2
111.00777	0.6
111.04419	0.8
113.02338	9.0
115.03920	0.4
119.03365	3.6
119.04879	0.5
120.99500	0.4
121.02857	1.7
122.03581	0.4
123.00817	0.7
123.04399	0.7
125.02351	3.0
129.01822	0.8
131.03398	0.8
133.02827	1.0
134.03624	0.5
135.02852	0.6
135.04420	3.5
135.06506	0.5
137.02371	1.0
137.06075	0.4
137.09602	0.5
139.00262	0.4
143.03384	1.1
145.02837	0.5
147.06613	0.4
149.02382	1.2
149.04468	0.9
149.05949	0.5
149.23132	0.4
151.00305	0.9
151.03922	1.2
152.01060	0.5
153.01846	0.5
159.02921	1.9
159.04379	0.8
160.01567	0.6
161.02486	2.1
161.04469	11.0
161.05847	0.6
162.04811	0.5
163.03903	0.6
165.01891	0.6
167.03413	0.6
169.01277	0.7
173.04478	3.1
174.03139	0.9
175.02528	0.6
175.03917	2.4
175.52470	0.4
176.04358	0.4
177.01764	1.8
178.02568	0.4
179.03375	1.7
179.05513	1.7
187.11235	0.5
189.05521	0.4
190.02655	0.6
191.05536	1.1
192.00549	0.6
193.01355	1.3
193.05037	0.7
199.09818	0.4
203.81351	0.4
223.06071	0.7
223.13318	0.6
227.12958	0.6
242.95761	0.4
245.08308	0.4
267.12637	0.4
267.15884	0.4
269.14050	0.4
287.14902	0.5
289.07135	0.4
293.08713	0.5
300.02728	0.5
300.99911	0.8
301.03293	0.7
307.09970	0.4
311.09973	0.8
326.08533	0.4
339.12308	8.0
339.25287	0.6
340.12497	0.8
370.05032	0.4
379.16248	0.8
385.09357	0.4
449.20258	0.4
501.30692	57.5
502.24213	0.7
502.30991	8.2
561.24927	3.0
562.26184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67578	0.4
51.86132	0.4
52.98022	0.4
54.53189	0.4
55.01754	1.7
55.50944	0.4
57.03325	1.4
58.00457	0.8
59.01250	100.0
60.01585	1.8
61.98700	7.2
67.64528	0.3
69.03323	0.8
71.01251	29.1
71.04896	0.7
71.51577	0.6
72.01599	0.5
72.99187	2.1
73.02814	10.6
75.00753	1.8
83.01254	4.5
85.02821	14.0
87.00732	2.5
89.02313	5.6
93.03348	0.7
95.01269	2.2
96.95889	1.2
97.02836	1.1
99.00760	4.9
99.04390	0.7
99.16634	0.4
101.02322	29.1
102.02667	0.4
108.02073	0.5
109.02834	2.1
109.61671	0.5
111.00747	0.8
111.04370	0.6
113.02332	14.1
115.00244	0.8
118.02871	0.5
119.03374	1.4
119.04900	0.6
121.02840	0.8
125.02338	3.2
126.02810	0.5
129.01831	1.1
131.03404	1.0
131.04950	1.5
132.02081	0.7
133.02806	0.9
134.03635	0.6
135.04437	2.9
137.02324	0.7
139.00262	0.6
143.03430	2.0
147.04428	0.7
149.02377	1.0
149.04440	0.5
149.04788	0.4
149.05984	3.1
151.00298	1.0
152.01013	0.5
159.02913	3.5
160.01579	0.9
161.02507	2.6
161.04454	27.5
163.03891	0.6
164.04720	0.7
165.01811	0.7
166.28249	0.4
167.03340	0.4
169.01407	2.0
171.04465	0.4
173.02361	0.8
174.03156	2.0
175.03918	17.2
176.04253	0.9
177.01884	1.2
178.02608	2.1
178.99802	0.6
179.03444	0.8
179.05550	0.9
179.07079	0.7
181.04976	0.6
183.10233	0.7
185.05977	1.2
187.03957	0.4
190.02650	1.5
191.05519	0.5
193.04996	3.8
195.04443	1.1
198.03201	1.3
205.03392	0.9
205.05057	1.1
205.12389	0.5
207.13786	0.8
209.11816	0.9
211.03952	0.7
213.05460	0.7
223.06042	1.6
223.13330	1.0
225.15005	0.7
226.02582	0.5
227.12766	2.5
228.72903	0.4
233.06059	1.1
249.05408	0.9
249.14893	0.5
250.06284	0.4
257.04547	0.4
261.05496	1.7
262.06329	1.4
265.07272	0.9
267.12332	1.2
267.15591	0.8
269.14020	1.7
269.17334	0.6
276.04230	1.1
277.05014	2.1
279.06549	1.3
287.15085	1.9
288.04260	0.6
289.04950	2.6
290.05820	4.8
291.06277	1.1
291.10931	0.5
293.04526	5.3
294.05313	6.7
295.05533	0.7
295.08472	0.8
300.99783	0.5
303.23196	0.5
305.04547	3.2
306.05240	3.9
307.06039	4.3
309.11954	0.6
316.03604	1.5
317.04498	2.2
318.05508	1.0
325.09210	0.5
333.04062	5.4
334.04825	20.3
335.05423	5.0
339.12344	0.8
339.25351	1.6
349.07144	19.1
349.11417	1.0
350.07605	2.6
355.10483	1.4
366.07382	10.2
367.07886	4.9
381.09756	28.6
382.10068	4.2
383.24484	0.9
399.11252	0.6
501.30676	61.2
502.30920	8.8
543.23560	0.6
548.45349	0.4
555.04108	0.5
561.13666	0.9
561.24591	6.8
561.34113	0.7
562.14990	0.6
573.01367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03305	0.4
58.26054	0.2
59.01249	100.0
60.01584	0.7
61.98701	0.4
69.31850	1.0
69.32272	0.9
71.01253	8.0
73.02815	2.5
75.00763	0.2
83.01269	0.8
85.02824	4.1
87.00793	0.3
89.02325	2.0
95.01296	0.4
96.95916	0.7
99.00767	1.5
101.02323	6.3
113.02327	3.4
113.03067	0.2
125.02351	0.6
131.03409	0.8
143.03459	0.6
147.38295	0.2
149.04456	1.2
159.02951	0.9
161.04468	10.3
162.04822	0.4
191.05611	0.6
199.60782	0.2
301.03595	0.2
381.63412	0.2
501.30704	11.1
502.31079	1.4
561.32819	1.7
562.33008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03322	0.4
58.00471	0.2
59.01248	100.0
60.01584	1.0
60.89590	0.1
61.98700	1.1
69.49635	0.7
71.01251	7.6
71.22700	0.1
72.01611	0.2
72.99173	0.2
73.02816	2.3
75.00742	0.3
75.29322	0.1
83.01266	0.9
85.02820	3.3
85.35400	0.1
87.00771	0.3
89.02315	1.8
93.03338	0.1
95.01261	0.4
96.95899	0.6
97.02831	0.3
98.19808	0.2
99.00752	0.9
99.56525	0.1
101.02318	6.1
102.02668	0.1
102.55548	0.1
109.02861	0.1
111.00775	0.1
113.02324	3.4
119.03430	0.1
122.69160	0.1
125.02336	0.5
129.01843	0.2
131.03384	1.2
143.03394	0.7
149.04442	1.3
151.00282	0.1
159.02882	1.2
161.04459	8.7
162.04872	0.3
177.01901	0.2
184.70274	0.1
187.20537	0.1
191.05560	0.7
205.03470	0.3
233.47897	0.1
262.31873	0.1
298.83301	0.1
339.25436	0.3
501.30682	10.4
502.30862	1.5
545.29663	0.2
561.32697	1.2
562.33490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	3.0
59.01249	63.4
61.34320	1.3
61.98704	100.0
67.00444	1.4
67.27444	1.4
69.91647	7.2
71.01245	12.1
71.04869	2.3
72.99181	2.5
73.02804	3.8
75.00734	4.9
78.95776	14.2
83.01271	2.7
83.04900	3.1
85.02813	6.0
85.06461	5.2
87.00764	1.5
89.02306	5.5
97.02818	2.0
99.00770	2.3
101.02327	7.4
109.02930	1.5
109.06456	1.4
113.02319	6.3
119.03362	2.6
119.04919	4.1
120.99512	2.2
123.04380	3.4
125.02312	3.9
131.03438	2.0
133.02834	2.4
135.04411	2.5
137.02367	3.2
139.11168	2.0
145.02881	7.7
145.03931	1.3
149.02390	1.8
151.04001	2.0
152.99452	8.3
155.14275	6.2
161.02380	9.6
161.04445	2.8
163.03873	3.6
165.01840	2.6
165.05486	3.1
165.12712	2.0
167.03253	1.9
171.10207	13.7
172.10501	1.6
174.03137	2.4
175.03908	6.5
183.13809	3.7
191.05447	2.4
197.11766	12.3
209.11722	5.3
213.05554	1.6
213.18571	2.3
261.10333	1.8
293.24744	2.5
295.26306	6.3
313.41248	1.6
315.25610	1.8
333.11072	5.2
339.25400	66.8
340.25696	6.0
341.06534	1.9
351.12323	2.4
352.07391	1.6
369.22501	4.2
408.08423	2.0
457.31824	1.5
501.32022	2.6
561.27130	14.0
562.27124	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	561.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58750	1.0
55.01747	1.1
57.03290	1.3
58.00435	2.0
59.01249	34.4
61.98692	12.6
69.34624	8.9
71.01245	21.1
72.99156	1.7
73.02778	2.4
75.00733	1.0
83.01211	2.0
85.02814	6.7
87.00684	1.6
89.02312	16.8
93.03296	1.5
95.01240	2.1
96.95853	2.3
101.02319	13.7
108.01981	1.6
109.02785	3.1
113.02332	8.2
117.03265	3.6
119.03383	7.6
119.04914	1.3
121.02766	2.9
123.04308	1.0
123.07980	1.4
124.01419	0.9
125.02250	2.7
132.02060	19.7
133.02866	4.7
134.03622	47.7
135.04243	4.3
137.02237	3.4
143.03313	2.2
147.04378	4.6
148.05081	1.9
149.04324	1.2
149.04762	1.2
149.05962	11.0
150.06184	1.2
151.07616	1.1
152.01030	1.2
153.01740	2.0
153.09006	1.7
160.01559	100.0
161.01982	5.0
161.04393	2.2
163.03783	2.7
169.01131	1.1
173.05888	1.8
174.02991	2.1
175.03914	92.9
176.01082	1.4
176.04639	13.2
177.01695	3.1
177.05182	1.3
178.02629	6.6
179.03181	1.4
179.05373	2.6
187.03780	2.3
190.02525	1.2
191.03276	1.7
191.07047	19.3
192.07285	2.3
193.04979	67.7
194.05127	3.0
205.04858	2.1
207.06616	6.7
217.04793	3.4
220.03635	1.9
220.22043	1.0
220.24716	1.0
227.13347	1.1
235.06065	65.9
236.06416	5.0
265.07153	40.1
266.07242	3.0
295.08307	54.1
296.08508	5.1
299.15860	0.9
300.02710	1.0
337.07089	44.0
353.08560	2.2
355.10339	11.8
381.05551	1.3
421.73611	0.9
561.22583	34.5
562.22632	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	561.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03339	1.7
57.38400	0.5
59.01249	71.3
60.01595	0.8
61.98698	4.3
69.03336	1.9
71.01254	19.6
71.51989	1.2
72.99194	2.4
73.02818	5.2
75.00744	0.6
82.95291	4.4
83.01266	2.2
85.02814	8.3
85.07616	0.5
86.57311	0.5
87.00782	1.1
89.02312	10.6
89.02840	0.7
93.03304	0.7
95.01279	1.8
95.04899	0.6
97.02836	1.5
99.00780	2.5
101.02320	14.1
103.03891	1.5
109.02847	0.7
111.04384	0.6
113.02314	8.8
114.90242	0.5
116.92770	0.8
117.03360	2.4
119.03391	4.2
119.04932	1.1
121.02872	1.1
123.04379	4.2
125.02356	1.5
129.05499	0.9
131.03447	0.6
132.02060	20.5
133.02916	2.6
134.03627	38.7
135.04453	1.5
136.05135	0.9
137.02333	2.4
138.06758	1.0
143.03424	1.0
147.04411	2.4
149.04764	1.0
149.05983	7.0
151.00322	0.7
151.07501	0.8
152.08408	1.3
153.05481	5.3
153.09117	3.2
154.05760	0.7
159.02864	1.1
159.04396	0.6
160.01564	94.5
161.02272	3.6
161.04462	7.9
161.09520	1.0
163.03871	0.8
165.01891	1.1
165.05516	0.6
165.07700	0.6
174.03137	0.7
175.03917	100.0
175.46031	0.5
176.04378	6.6
177.01868	1.7
177.05322	1.0
178.02643	2.0
179.03403	1.9
179.05513	2.3
185.00879	1.9
189.01720	1.0
190.02664	0.7
191.07069	5.7
192.04337	0.8
193.04990	52.8
194.05388	3.0
202.02652	0.7
205.05078	1.6
205.12276	4.0
207.06554	2.3
209.11905	0.7
217.05003	1.0
220.03622	0.9
221.04451	1.0
223.13171	0.7
235.06059	15.5
236.06375	0.9
247.06078	0.7
251.05490	0.6
251.16565	0.8
263.12799	0.9
265.07104	6.2
271.02429	1.1
281.06509	0.8
283.15686	0.7
295.08185	9.5
300.02682	1.7
301.03381	0.8
309.11948	1.5
337.09296	3.6
339.40869	0.6
355.10208	1.4
371.24445	0.8
399.23776	2.2
413.21683	2.1
463.08701	1.4
481.09979	0.7
485.33685	0.6
501.30661	15.9
502.30930	1.6
561.23218	85.8
562.23590	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	561.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
58.00462	0.9
59.01251	30.5
61.98700	8.2
69.38139	5.7
71.01253	11.2
71.01615	1.1
72.99200	1.4
73.02858	0.9
75.00739	0.9
83.01247	0.9
85.02846	2.8
87.00768	1.5
89.02318	6.8
89.02747	0.6
93.03328	0.9
99.00762	1.4
101.02315	5.6
105.03351	0.8
109.02879	1.3
111.47775	0.6
113.02301	5.3
114.71685	0.6
117.03358	2.6
119.03451	1.4
119.04959	1.6
121.02847	2.4
125.02362	1.9
131.03349	0.9
131.04929	1.0
132.02060	11.9
133.02881	7.0
134.03632	63.8
135.04350	5.2
136.01575	1.2
137.02312	4.2
139.03963	0.9
147.04430	8.2
148.05186	5.0
149.05988	19.7
150.06287	0.8
151.03923	1.2
152.00969	0.8
158.03627	1.2
160.01567	69.2
161.02321	7.6
161.04454	1.8
163.07591	0.8
164.04720	1.0
173.06052	2.2
174.03165	6.5
175.03925	82.6
176.04695	25.1
177.01779	3.9
177.05310	1.7
178.02621	11.3
179.03450	4.4
187.03889	1.0
188.04790	0.7
190.02765	1.1
191.07069	33.6
192.04169	2.2
192.07379	2.0
193.04990	88.0
194.05304	5.5
199.04146	0.7
202.02664	1.7
203.07112	1.0
205.05028	1.0
207.06549	7.8
208.06879	1.0
217.05002	7.8
220.03752	4.3
221.04541	1.5
223.06017	0.7
227.12878	1.1
229.05164	0.7
235.06078	90.7
235.89926	0.7
236.06375	6.9
247.06183	1.6
251.05589	1.5
265.07153	69.0
266.07507	4.7
272.06613	0.7
277.04813	1.1
281.06686	2.0
289.07278	1.1
294.05362	1.2
295.08203	100.0
296.08481	7.9
306.94131	0.7
323.07724	4.7
324.09958	5.6
325.09924	0.8
333.03668	1.0
334.04684	3.7
335.05646	0.8
337.09320	1.6
339.12363	21.4
339.25293	5.5
340.12665	3.0
341.08810	4.8
349.07272	3.2
355.10324	9.4
366.07471	2.0
381.09769	6.2
423.39227	0.8
480.06891	0.9
499.12433	5.6
501.30630	3.6
561.25018	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	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46021	0.2
55.01748	0.3
55.02937	0.3
57.03323	0.6
59.01248	10.2
61.73974	0.2
61.98699	4.2
71.01250	4.0
71.51906	0.3
72.99163	0.4
73.02814	2.0
75.00739	0.8
77.04206	0.2
83.01257	1.1
83.04897	0.4
85.02815	1.6
87.00752	1.0
87.04395	0.2
89.02312	2.0
93.03327	0.5
95.01255	0.2
95.04889	0.3
96.95921	0.6
97.02828	0.6
97.06411	0.3
99.00744	0.4
99.04404	0.3
101.02319	3.2
108.02050	0.4
109.02822	0.6
111.00751	0.3
113.02328	1.7
117.03329	1.4
119.03386	1.0
119.04867	0.4
121.02839	0.2
122.03603	0.2
123.00779	0.4
123.04383	0.6
125.02308	1.2
125.05903	0.3
129.03352	0.2
130.04158	0.6
131.03409	0.4
131.04922	4.7
132.02032	0.4
133.02853	0.7
134.03633	0.9
135.04378	0.7
137.02356	0.6
137.05997	0.3
137.09613	0.9
137.82173	0.2
139.03851	0.3
143.03378	0.4
145.02852	3.8
147.04413	2.0
149.02357	0.3
149.05997	0.8
150.03036	0.4
151.00301	0.7
152.01025	0.4
153.01839	0.3
154.01390	0.3
157.02843	0.7
158.03697	0.3
160.01572	1.3
161.02350	1.4
161.04472	0.8
161.05896	0.4
161.09605	0.8
163.03902	0.9
163.07549	1.1
165.01825	0.3
165.07579	0.3
166.89986	0.3
169.01338	0.6
171.10190	0.4
173.02405	0.6
174.03142	13.2
175.03917	100.0
176.04276	4.9
177.01843	0.4
178.99783	0.8
179.03365	0.4
179.05475	0.5
179.10695	1.1
181.08612	1.2
187.03873	0.9
189.01805	0.6
189.05502	0.4
189.49619	0.2
190.02621	0.6
191.03328	0.6
191.05534	0.3
193.05023	1.4
197.11745	2.6
200.04674	0.4
205.01384	0.6
205.08531	0.3
205.12294	0.3
209.11783	0.5
217.05011	0.8
223.09766	1.7
227.07227	0.3
227.12828	0.3
229.05093	0.3
231.13828	0.7
235.05940	0.5
241.10765	3.5
251.16412	1.3
265.10785	0.9
267.15973	0.4
279.68433	0.3
283.11801	1.4
293.17529	0.3
295.08295	0.3
300.99808	0.4
309.11829	0.4
313.12827	0.6
325.12827	0.8
327.12869	0.3
337.09341	1.0
343.13898	1.9
385.15030	4.1
386.15231	0.5
399.23926	0.7
403.16049	2.9
464.09662	0.3
501.30771	0.9
543.22150	0.5
561.19739	3.4
561.27673	4.3
562.20337	0.8
562.28699	0.5
573.99976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03321	1.7
58.00451	0.9
59.01252	44.2
61.98696	7.6
69.03330	1.2
71.01257	18.9
71.51897	1.1
72.99178	1.7
73.02817	5.5
75.00738	1.0
78.11083	0.7
83.01248	2.4
85.02827	6.4
87.00753	2.1
89.02321	14.1
93.03320	0.9
95.01248	1.1
96.95905	1.2
97.02785	0.6
99.00771	2.6
101.02327	13.6
103.03891	3.1
103.05431	1.0
107.04967	0.9
113.02331	7.5
117.03347	1.1
119.03376	4.5
119.04887	1.2
121.02833	1.8
123.04369	1.2
125.02335	2.5
131.03366	1.9
131.04939	6.4
132.02061	4.0
133.02885	1.4
134.03619	7.6
135.04471	1.7
135.62643	0.6
137.02280	0.7
143.03360	1.6
145.02855	1.3
147.04422	5.6
147.06503	0.8
149.02359	11.3
149.04439	2.4
149.05995	1.9
151.00290	1.7
153.09111	0.9
157.02840	1.0
158.03618	0.9
159.02974	1.1
160.01576	16.7
161.02321	2.6
161.04448	7.0
163.03909	4.1
163.11198	1.6
164.04716	9.5
165.05380	1.2
171.10149	2.0
173.02357	2.8
174.03143	19.6
175.00565	4.9
175.03922	100.0
176.04291	6.0
177.46263	0.7
178.02658	0.9
178.06369	0.7
178.99838	1.3
179.03349	1.4
179.05551	3.5
179.07091	3.5
189.01848	0.9
190.02623	11.9
191.03435	4.0
191.05608	1.3
191.07141	1.6
193.01390	1.3
193.04997	8.8
203.03548	0.9
205.05016	14.3
205.12297	2.3
206.05742	6.5
207.02884	2.5
207.06377	1.2
208.03725	3.2
209.11783	2.5
221.06497	0.9
221.08205	7.4
221.81056	0.8
223.06076	20.8
224.06490	1.0
235.02501	1.1
235.06082	3.7
237.07663	2.5
247.06117	1.7
250.04842	1.9
251.16473	1.3
265.07181	30.3
266.07468	2.0
295.08243	16.1
296.08722	1.0
307.19193	2.2
310.06992	0.9
325.09229	21.2
325.20026	2.1
326.09683	1.8
337.09259	4.8
338.24188	0.8
355.10458	1.0
357.26428	0.8
381.09760	0.8
385.11316	5.9
397.11475	3.3
399.24048	3.0
501.30563	4.7
527.68866	0.7
543.22522	2.4
561.23187	3.7
561.29510	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	561.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03316	0.6
59.01248	32.5
61.98709	1.3
68.67892	0.3
69.03320	0.3
71.00035	0.6
71.00375	0.4
71.01255	3.3
73.02816	0.9
74.93827	0.2
75.00748	0.5
82.73520	0.3
83.01270	0.6
85.02819	1.2
86.41503	0.3
89.02320	0.8
93.03324	3.3
93.34591	0.3
95.01277	1.3
97.02903	0.4
99.00732	0.4
101.02308	2.4
108.02067	2.2
111.04369	0.4
113.02328	1.4
119.01276	1.0
119.03335	0.4
121.02834	2.1
121.06503	0.5
125.02332	0.4
131.04887	0.4
134.03519	0.4
135.04404	0.6
147.00798	0.7
147.04401	1.5
149.02400	3.9
149.05977	100.0
150.03099	0.6
150.06317	4.7
151.03912	0.7
161.02353	0.7
161.04475	1.9
163.03883	0.6
164.04697	5.9
165.01820	0.4
165.05382	0.3
173.02231	0.3
175.00290	6.6
175.03946	1.2
176.00995	2.0
178.02661	0.6
179.03288	0.4
179.05690	0.3
179.06992	1.3
190.02632	21.1
191.03297	2.9
192.04016	0.3
193.01328	0.8
193.04982	29.3
194.02086	0.3
194.05338	1.5
197.57523	0.3
205.04994	25.3
206.05318	1.7
207.06534	0.4
208.03703	0.5
209.04527	0.6
223.06061	9.6
224.06403	0.3
227.12869	0.4
251.05663	0.4
264.12445	0.3
287.14966	0.9
289.04816	0.5
290.05893	0.6
293.04596	0.3
294.05444	0.5
316.92493	0.3
333.04047	0.6
334.04782	2.0
335.05258	0.4
337.09351	0.7
339.12366	8.0
340.12701	0.8
349.07114	2.1
352.07703	0.6
353.08682	2.9
355.10306	40.3
356.10666	3.0
366.07404	0.8
367.10315	26.3
368.10779	2.4
381.09860	2.5
382.10208	0.7
501.23990	0.4
501.30789	3.2
517.17133	0.7
561.16046	11.1
561.25024	1.1
562.16418	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	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01950	0.3
55.01755	0.6
56.60155	0.3
57.03325	1.0
57.62342	0.4
58.00475	0.9
59.01250	46.8
59.88435	0.3
60.01582	0.4
61.98692	2.3
65.00191	0.5
67.01751	0.5
67.79182	0.4
71.01254	13.3
72.99193	1.4
73.02818	4.0
75.00758	0.5
83.01258	2.0
85.02821	5.8
87.00764	1.8
89.02314	7.8
91.01763	0.6
93.03334	3.2
94.19767	0.4
95.01284	1.6
95.91312	0.4
96.95878	2.5
97.02890	0.5
99.00764	1.8
99.04405	1.0
101.02324	11.5
105.03339	0.4
107.01248	0.4
107.04891	0.4
108.02057	0.5
109.02844	1.2
111.00768	0.8
111.04426	0.6
113.02324	5.8
119.01283	1.5
119.03411	2.2
121.02828	2.8
123.00802	0.5
123.04417	1.2
125.02340	1.6
127.03924	0.4
129.01830	0.5
131.03394	1.6
133.02846	3.1
134.03632	45.0
135.02933	0.4
135.04063	1.3
135.04253	1.2
137.02332	7.4
139.03911	3.2
143.03421	0.9
145.02847	0.5
147.00751	1.7
147.04431	0.6
148.01535	0.7
149.02357	4.8
149.04512	1.1
149.05986	15.3
150.03186	1.7
150.06355	1.1
151.00287	1.0
155.03455	0.4
159.02930	0.8
161.02362	1.1
161.04459	6.0
161.05692	0.6
163.03931	1.3
164.04689	3.7
165.01859	1.6
165.05434	0.5
166.02576	0.4
169.01321	0.8
173.02304	0.6
173.04489	5.9
173.05858	0.7
174.03133	2.1
175.00291	12.5
175.03905	5.1
176.01120	2.7
177.01857	2.0
178.02640	33.2
179.03203	2.3
179.05542	1.0
179.07013	0.8
181.08542	0.4
187.03963	0.5
189.01839	0.8
189.05507	0.9
190.02649	25.5
191.03329	3.7
191.05434	0.8
192.04242	2.8
193.04994	100.0
194.02237	0.5
194.05333	5.0
195.02879	0.4
205.05006	23.1
206.05402	1.4
207.06584	2.4
208.03731	0.7
209.04478	2.1
217.01392	0.5
217.05003	0.8
223.06039	4.3
223.13393	1.1
241.07138	0.7
267.12448	0.8
300.03293	0.4
300.99976	0.4
301.03488	0.4
317.63156	0.4
323.01880	0.4
324.02823	0.4
339.25446	0.4
352.08096	0.7
353.08798	6.1
354.09277	0.9
367.10321	32.2
368.10669	3.8
369.15778	0.6
429.17581	1.1
501.30695	38.9
502.31125	3.5
513.24146	0.4
561.06726	1.3
561.15979	9.5
561.24982	2.0
562.16522	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	560.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89162	0.2
57.03333	0.2
59.01244	3.0
61.98700	100.0
71.01263	1.2
71.06841	0.4
72.99179	0.4
73.02820	0.3
75.00748	1.1
78.95847	0.2
82.22217	0.2
83.01273	0.3
85.02822	1.0
87.00751	0.3
88.27419	0.2
89.02309	0.4
95.01268	0.5
96.95895	0.2
99.00747	1.0
101.02349	0.8
109.02844	0.3
111.00775	0.5
113.02352	1.0
119.04908	0.3
123.04399	0.2
125.02354	0.4
131.03433	0.2
137.02383	0.2
145.02824	0.4
157.01283	0.2
161.02333	0.4
163.03954	0.2
169.06404	0.2
171.10201	0.4
174.02986	0.2
175.03992	0.3
182.34152	0.2
193.04887	0.2
201.11195	1.4
223.62592	0.2
267.07242	0.4
311.22232	1.3
337.23367	0.4
338.23926	0.4
408.34100	0.2
474.35974	0.2
501.31641	0.2
508.23911	0.2
561.29156	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	559.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.2
57.65882	0.1
59.01250	2.6
61.98699	0.3
71.01249	0.6
71.52087	0.4
73.02796	0.2
73.87532	0.2
75.00758	0.2
78.95792	0.2
79.89960	0.1
79.95609	2.8
83.67480	0.1
85.02821	0.3
89.02320	0.4
95.82405	0.1
96.95885	100.0
97.95829	0.3
101.02328	0.3
102.98451	0.2
113.02293	0.2
119.03358	0.2
119.04967	0.2
121.02880	0.2
135.04445	0.2
137.02301	0.2
145.02870	0.4
155.63501	0.1
161.04506	0.2
163.03903	0.2
165.01857	0.7
175.03917	0.3
179.05495	0.2
228.26007	0.2
233.59462	0.1
247.82092	0.1
271.02451	0.8
299.01935	1.2
300.02765	0.4
314.04236	1.2
315.05026	2.0
315.67511	0.1
316.05328	0.2
337.23846	0.2
390.61737	0.2
455.33890	0.2
461.10858	2.3
462.11304	0.4
469.28131	0.2
479.10095	0.2
559.15063	0.2
559.26379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.6
60.01551	0.2
61.66195	0.1
61.98701	3.1
69.03321	0.2
69.16324	1.9
71.01252	1.1
73.02815	0.4
75.00748	0.9
76.91188	0.1
78.95791	0.2
79.95605	6.6
83.04901	0.3
85.02809	0.5
87.00732	0.2
89.02312	0.7
93.03332	1.8
95.01276	0.2
95.95129	0.2
96.95886	100.0
97.95839	0.3
99.00758	0.3
101.02322	0.5
108.02050	0.4
109.02843	0.4
109.40211	0.2
110.97445	0.4
111.04375	0.1
113.02337	0.5
119.04900	0.2
121.02866	0.3
123.04460	0.4
125.02331	0.5
133.02829	0.2
134.03638	0.2
136.01575	0.2
137.02342	3.2
139.05923	0.2
145.02861	0.4
149.06027	0.3
151.03925	1.2
161.02351	0.6
161.04482	0.2
163.03859	0.2
174.03145	0.3
175.02377	0.2
175.03851	0.8
179.03429	0.1
186.31798	0.2
197.11819	0.2
201.13431	0.2
205.12273	0.2
214.17773	0.2
218.04402	0.2
219.94504	0.2
245.01151	0.2
281.08249	0.6
282.08704	0.2
309.08585	0.2
329.13892	0.2
337.23819	0.5
374.60233	0.2
414.43301	0.2
419.11230	0.7
420.11710	0.2
434.13647	1.0
439.10742	1.8
440.11383	0.3
446.13544	0.3
449.15805	1.1
450.16602	0.2
461.16251	0.6
559.12750	37.7
559.27112	1.5
560.13147	5.9
560.21881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
61.98700	100.0
62.81573	0.3
71.50790	0.5
77.35886	0.3
77.54456	0.3
77.93829	0.3
78.95793	0.9
93.86683	0.3
101.06498	0.2
127.26210	0.3
138.85564	0.3
215.51398	0.3
255.23225	1.9
256.23618	1.0
257.23932	0.8
258.23886	0.3
287.22409	0.7
480.31146	1.2
481.31287	0.4
483.31982	1.1
557.33551	0.6
557.44440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77956	0.5
57.03333	0.8
59.01248	87.6
60.01598	1.2
61.98698	4.6
65.61494	0.6
68.83359	0.6
69.03336	0.5
71.01244	5.1
71.04881	3.2
73.02810	1.3
85.02831	1.7
89.02325	3.4
95.01206	0.9
97.02780	0.5
97.06448	0.8
99.04359	0.5
101.02303	3.7
113.02332	4.7
119.03396	1.7
121.06390	0.6
123.08047	2.7
125.05991	0.7
135.04524	0.7
135.08093	1.0
137.02332	0.6
137.09610	3.8
138.09964	0.8
139.07581	0.8
143.03374	0.8
153.12759	1.7
161.02332	0.7
161.04399	1.7
161.63185	0.6
163.03944	0.8
175.03903	0.9
189.12801	3.2
193.15865	0.8
201.12798	1.1
205.15889	4.5
209.11874	0.8
257.19000	3.0
269.08173	0.6
271.20270	0.7
273.22198	15.0
274.22540	1.4
275.02328	0.6
275.20236	0.8
289.21759	1.7
291.23282	10.0
292.23706	1.0
317.21259	2.2
335.22256	100.0
336.22565	14.0
359.22296	8.7
360.22623	1.3
377.23270	1.7
378.24017	0.6
389.23209	0.6
392.67773	0.7
557.25519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
58.00463	2.2
59.01250	100.0
60.01576	0.7
61.98706	9.8
68.99674	1.2
69.03325	0.5
69.28211	2.2
69.28641	2.7
71.01250	5.4
72.99169	2.9
73.02832	3.2
75.00760	1.5
83.01261	0.8
85.02849	2.0
86.51279	0.5
87.00764	1.7
87.04379	0.6
89.02332	1.6
96.72456	0.6
97.02820	0.7
99.00768	1.0
99.04445	0.7
101.02296	2.8
109.02856	0.9
113.02339	2.0
113.13445	0.5
115.00257	1.4
119.04938	0.7
121.02868	0.7
125.02337	3.4
135.02896	1.5
135.04472	1.0
135.07956	0.7
137.02342	1.5
145.02878	1.0
151.03912	0.6
152.01088	0.7
152.92943	0.5
161.02328	1.4
161.04457	1.9
163.03920	1.4
165.01872	1.6
167.03418	1.0
169.12306	1.0
173.02521	0.7
174.01732	1.0
174.03165	1.5
175.02397	2.1
175.03957	6.7
176.04398	0.6
177.01860	0.7
178.02702	0.7
181.12372	0.7
183.10190	1.0
187.03970	2.4
197.15413	0.7
199.13420	1.8
201.01707	0.7
206.38669	0.6
211.03914	0.8
217.08696	1.2
218.02150	0.7
219.06743	0.6
253.08574	0.6
275.23801	1.8
278.05673	0.6
281.04477	1.6
284.49976	0.6
293.04611	2.2
296.05505	1.1
309.04059	1.4
313.07184	1.2
321.04160	1.7
332.06485	0.8
335.22266	2.7
354.26416	0.6
357.26505	2.5
358.26526	0.7
359.14279	0.6
359.27975	2.4
379.25021	1.5
381.12207	0.8
393.26443	1.4
395.24438	2.3
407.24414	1.0
421.25836	0.8
426.88531	0.6
437.25082	1.0
439.27103	5.8
440.27298	0.6
455.26572	2.2
467.26584	0.7
477.54749	0.6
493.28284	0.8
495.29877	0.7
497.31979	4.0
513.30908	1.2
539.13342	1.3
557.29730	64.5
558.16840	0.7
558.29993	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	557.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
57.31662	0.1
57.40765	0.1
59.01248	9.2
59.71993	0.1
61.98706	2.8
69.03323	0.4
69.25565	1.3
71.01250	2.2
72.99162	0.3
73.02824	0.6
74.02325	0.2
75.00742	0.6
83.01231	0.3
85.02831	1.0
87.00741	0.7
89.02316	1.8
93.03337	0.4
95.01251	0.4
96.95925	0.2
97.02806	0.2
99.00758	0.3
101.02305	1.9
101.03822	0.1
108.02077	0.2
109.02798	0.6
113.02328	1.0
114.02784	0.1
114.40254	0.1
116.42672	0.1
117.03319	0.6
119.03402	0.7
119.04910	0.5
121.02846	0.4
123.04386	0.5
125.02333	0.9
125.09632	0.1
128.03398	0.3
129.01932	0.1
130.04156	0.4
131.04924	3.6
132.05298	0.2
133.02826	0.4
134.03609	0.9
135.02905	1.5
135.04408	2.5
137.02316	0.6
137.09727	0.1
139.03889	0.2
140.56514	0.2
143.03418	0.2
145.02858	0.5
147.04411	1.0
149.02371	0.2
149.05948	0.9
150.03085	0.2
151.03923	0.4
152.03438	0.4
157.02872	0.4
158.03621	0.4
159.02945	0.2
159.04407	0.5
160.01596	0.3
161.02338	3.4
161.04396	0.7
161.05933	0.2
161.37297	0.1
162.02931	0.1
162.04866	0.1
163.03935	0.9
164.04532	0.1
165.01863	0.1
165.05527	0.2
166.06219	0.2
167.03412	0.4
169.01321	0.3
173.02361	1.0
173.06064	0.2
174.01566	0.2
174.03139	11.2
175.03914	100.0
176.04256	5.4
177.01907	0.1
177.05507	0.5
178.02702	0.3
178.06276	0.2
179.03375	0.9
179.05521	0.6
179.06894	0.2
183.10173	0.5
185.00870	0.2
187.03888	0.5
188.01004	0.2
189.01855	9.8
190.02573	1.1
191.03485	0.1
191.42780	0.1
193.08635	1.1
195.06619	0.8
200.04610	0.3
202.05098	0.5
203.03404	0.5
204.04192	1.3
204.99593	1.5
205.04933	0.3
207.01210	0.3
217.04924	0.7
219.06541	2.2
220.06894	0.2
223.05983	0.2
229.04991	0.5
233.15442	0.3
237.07579	0.2
245.77678	0.1
247.06024	0.2
247.13332	0.1
253.08768	0.7
254.09447	0.2
261.07697	1.3
263.12976	0.1
271.02475	0.2
281.06366	0.3
289.07443	0.2
291.08646	0.8
296.05527	0.2
300.02692	0.3
303.08627	0.1
304.06015	0.7
321.09964	0.2
335.22208	0.3
337.09326	1.0
339.10764	0.3
383.11407	0.2
395.20642	0.3
439.13879	1.4
471.08478	0.1
497.26947	0.2
498.27112	0.1
557.13300	0.3
557.25854	1.8
558.25745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
61.98692	1.7
65.00183	5.0
69.27589	3.8
71.01236	1.8
73.02832	0.5
75.00724	0.7
79.95622	0.9
83.01259	0.6
85.02831	1.1
87.00777	0.7
87.19977	0.4
87.50163	0.4
89.00197	1.2
89.02333	0.5
91.01799	0.6
93.03323	3.1
96.95882	3.8
97.02823	3.8
101.02322	1.0
109.02822	2.5
113.02346	0.9
119.03404	0.5
121.02840	21.4
122.03114	0.6
123.00769	1.0
123.04401	2.2
124.01524	0.7
125.02330	5.8
135.02876	1.2
135.04427	0.7
137.02356	0.8
139.03865	1.0
145.02802	0.5
149.02319	2.4
149.99478	1.8
150.02992	0.4
151.00256	2.7
153.05475	2.1
161.02306	0.5
163.00298	0.4
163.03865	0.7
164.04672	0.4
165.01839	64.7
166.02174	2.4
167.03395	0.5
168.00592	0.4
169.01288	1.9
173.04472	1.2
175.00320	0.7
175.03899	0.5
179.03342	0.6
181.04874	0.6
183.02905	0.7
189.01923	0.4
190.02634	1.3
191.05550	1.2
192.00729	0.5
193.01364	9.1
195.06564	0.5
205.04994	1.8
207.02934	1.4
211.09801	0.5
223.06076	0.6
228.04279	0.8
241.00206	2.2
244.03696	0.9
255.02843	0.5
256.03766	1.4
259.06125	1.2
269.04581	0.4
271.02454	2.9
271.05539	0.6
272.03052	0.8
287.05499	2.9
297.03842	0.5
299.01822	2.1
299.99545	0.5
300.02679	10.7
301.03159	0.9
314.04297	1.4
315.05087	100.0
316.05402	9.8
321.04315	0.6
321.07825	0.6
339.05035	0.4
348.89365	0.4
367.10248	1.6
367.59839	0.5
395.00610	0.5
437.11591	0.4
439.13931	0.5
477.10352	51.0
478.10748	6.6
521.16705	0.8
557.06018	29.2
557.22125	2.2
558.06464	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	557.0606
Annotation	Quercetin 3-methyl ether 5-glucoside-3'-sulfate
Peak:m/z	Relative Intensity
50.84076	0.4
59.01247	2.0
60.36235	0.4
61.01176	0.5
61.98679	0.6
65.00188	9.5
69.57942	2.8
71.01249	1.5
73.02814	2.3
75.00742	1.9
76.06625	0.4
76.28681	0.5
79.95606	5.2
83.04934	0.5
85.02840	0.7
85.83311	0.5
89.00191	2.7
89.02327	0.8
91.01749	2.2
93.03335	2.8
93.94064	0.5
95.01241	1.1
96.95876	5.6
97.02827	8.1
98.19783	0.6
102.58509	0.4
105.14159	0.4
109.02821	1.0
111.48173	0.5
113.02325	0.8
121.02839	24.2
122.03203	0.9
123.00755	1.2
125.02335	1.9
135.02870	0.6
139.03885	4.2
142.57518	0.4
147.00890	0.5
148.01579	1.0
149.02348	6.9
149.99500	2.7
151.06142	0.7
161.02415	0.9
165.01839	69.5
166.02147	3.2
169.01379	2.1
175.03748	0.6
183.02928	8.1
187.09682	0.9
193.01346	34.8
194.01666	1.5
201.01863	0.7
201.09471	0.5
201.11290	0.7
203.03500	0.6
216.04028	0.5
227.03462	1.4
229.01381	1.4
241.00114	3.6
243.02969	2.4
254.98112	0.5
255.03011	1.8
256.03687	2.6
259.06107	1.3
271.02469	5.1
272.03262	5.7
275.02026	1.1
278.70984	0.5
284.03494	0.5
285.04095	0.8
287.05649	1.5
299.02017	2.0
299.99387	0.9
300.02771	3.4
300.99930	5.1
301.03098	0.9
313.03342	0.5
314.04242	1.7
315.05087	100.0
316.05429	7.7
390.52704	0.8
395.00839	0.9
447.09552	0.9
477.10342	53.2
478.10724	7.3
497.14651	0.6
557.06024	48.3
557.24274	6.9
558.06372	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	556.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44542	0.5
61.98700	100.0
62.98361	0.5
77.89923	0.4
170.08760	0.5
189.51831	0.5
229.71144	0.7
246.98491	0.5
269.21048	0.7
270.01840	0.5
287.22229	3.1
407.43832	0.6
471.34747	11.4
472.35104	1.9
540.68793	0.6
556.32483	59.7
557.32849	10.7
557.43982	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	557.0604
Annotation	Quercetin 3-methyl ether 5-glucoside-3'-sulfate
Peak:m/z	Relative Intensity
59.01253	0.5
59.19610	0.3
61.98698	0.5
65.00188	4.0
70.99476	0.8
71.01246	0.4
75.00758	0.7
79.73526	0.3
88.71692	0.3
89.00251	0.5
91.01748	0.9
93.03336	1.4
96.95902	0.3
97.02814	3.4
109.02831	1.1
121.02841	15.4
122.03164	0.8
125.02366	0.8
126.48785	0.4
127.03909	0.3
129.56883	0.3
135.02849	1.6
139.03876	0.6
145.06528	0.5
149.02347	1.6
149.99475	1.7
150.03027	0.6
151.00261	1.2
165.01837	44.2
166.02138	2.1
183.02992	0.4
193.01353	5.2
196.34529	0.3
205.04860	0.5
207.02963	0.9
227.03482	0.6
228.04228	1.1
244.03926	0.4
256.03925	0.4
259.06055	0.5
271.02350	1.7
272.03104	1.3
287.05612	1.5
292.16797	0.3
299.01810	1.9
300.02737	7.0
301.03101	0.8
315.05084	100.0
316.05389	10.2
351.16031	0.4
395.00781	0.5
405.05850	0.4
415.59525	0.4
435.44830	0.3
477.10321	13.9
478.10400	1.7
509.21829	0.9
557.06018	20.8
558.06433	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.45232	0.3
54.15699	0.3
59.01255	0.4
63.96111	0.9
66.09605	0.3
69.03319	0.5
71.01248	5.3
72.99165	0.4
73.02817	0.9
78.98463	5.1
79.95605	7.7
79.96040	0.6
80.96390	57.0
81.03330	0.6
81.65553	0.3
85.02821	2.6
87.00743	2.2
94.97958	13.5
96.95892	1.1
97.02820	1.0
99.00734	0.4
101.02335	1.9
106.97972	3.4
113.02296	0.4
118.77483	0.3
122.97462	3.4
125.02353	2.4
127.03912	0.8
134.97467	4.1
136.99060	1.5
139.70488	0.4
143.03323	0.3
145.60753	0.3
146.97545	0.3
148.99042	4.9
152.98526	5.3
164.98540	11.3
167.00105	0.3
178.99953	0.3
206.99619	2.5
225.00690	14.7
226.01123	0.5
229.62027	0.4
255.23276	2.5
299.04388	3.0
555.28400	100.0
556.28741	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	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.1
57.03318	3.3
58.00471	2.3
59.01249	100.0
59.21393	2.1
61.98701	23.2
62.69688	1.9
64.10195	1.8
65.61153	1.8
67.10625	1.9
69.03323	2.0
69.27717	15.5
71.01250	64.1
72.99181	4.9
73.02821	11.0
74.98984	2.9
75.00735	4.6
80.91506	2.2
83.01256	6.0
85.02817	19.1
87.00742	3.3
87.04420	3.0
88.98695	3.7
89.02314	66.4
93.03337	6.5
95.01241	4.6
95.04886	5.3
96.95892	9.1
97.02811	4.8
99.00766	4.2
99.04393	3.3
101.02317	57.1
103.98045	1.9
107.01299	2.2
107.04915	3.6
107.68844	1.7
108.02058	13.3
109.02811	7.6
111.00719	1.9
113.02325	23.1
116.92742	2.1
119.03384	22.1
119.04861	3.0
120.03751	2.3
121.02868	9.6
123.00750	3.8
123.04417	11.9
124.01550	4.2
125.02340	14.4
131.03383	8.1
133.02805	2.9
134.03610	5.4
135.02867	4.9
135.04402	8.3
136.01495	3.4
137.02333	8.8
138.03178	3.0
139.00281	3.9
139.03909	26.2
139.11276	4.0
143.03392	8.2
145.02856	2.6
146.03656	2.1
147.00717	4.0
147.04437	2.8
149.02362	12.8
149.04506	3.8
149.05933	3.6
150.03093	9.8
151.00276	3.6
151.03903	8.5
152.01080	27.6
154.02557	1.9
157.80725	2.4
159.02835	2.4
159.04321	2.9
160.01529	3.3
161.02353	11.3
161.04489	16.8
161.05748	3.6
162.03108	5.7
163.03908	8.4
164.04671	7.5
165.01881	2.5
165.05426	6.9
166.02576	2.4
166.06308	19.3
167.03412	44.1
168.03709	2.1
169.01312	8.3
174.03110	4.6
175.00348	5.4
175.03943	9.4
177.01854	6.1
179.03508	2.8
179.03749	2.1
179.05544	62.7
179.07040	7.7
181.04979	7.4
181.08611	12.8
183.02907	29.2
183.10208	8.1
187.03928	2.2
189.01909	2.8
189.05579	3.0
190.02641	17.5
191.03317	6.8
191.05498	4.8
193.04974	4.9
194.02002	3.1
195.06586	5.2
196.07402	2.3
205.05017	17.1
206.05516	2.9
209.08104	4.2
211.09579	3.7
221.06552	20.0
223.06113	6.2
225.00725	3.8
225.11238	5.0
237.05319	2.2
243.12366	3.9
253.04980	2.5
255.02989	3.2
255.06612	2.1
267.12485	2.6
270.99051	4.0
271.02408	7.3
283.05954	3.1
289.07129	3.0
291.12552	2.4
298.08508	6.2
298.98083	5.8
299.98987	2.9
300.02734	6.8
300.99789	5.7
301.03604	6.0
310.08551	2.3
313.10864	6.3
327.12204	3.6
343.11893	11.2
387.16711	4.4
493.20319	3.2
495.20074	6.5
525.21271	20.2
537.21210	3.2
555.08521	4.7
555.24500	22.5
556.10608	4.4
556.24017	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	555.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03294	1.2
59.01250	28.2
61.98701	13.2
70.12912	0.8
71.01252	19.3
71.51089	1.6
72.99170	2.0
73.02803	3.6
75.00752	2.3
78.95735	1.2
83.01235	2.0
85.02831	4.8
87.00723	2.4
89.02311	9.2
91.01760	2.0
93.03328	2.4
97.02776	1.1
99.00715	1.3
101.02309	11.2
109.02785	0.9
113.02350	6.1
116.71412	0.9
119.01238	3.8
119.03350	4.0
119.04856	1.2
121.02814	3.7
123.04337	1.3
124.01496	1.3
125.02348	6.0
134.03561	1.0
135.04378	3.1
137.02330	2.0
141.09093	2.6
147.00775	4.8
147.04449	1.3
149.02342	18.4
150.03073	1.1
151.03839	1.0
152.01103	1.2
161.02286	2.6
161.04399	3.4
161.05684	1.1
163.03865	4.1
164.04692	15.8
165.01901	1.8
169.01326	1.9
174.98811	1.7
175.00287	32.1
175.03789	2.2
176.00691	2.1
177.01715	1.0
179.03421	1.4
179.05554	1.9
179.07030	3.3
190.02632	96.5
191.03093	6.5
191.05266	1.0
195.06541	1.1
205.04996	100.0
206.05406	5.8
208.03688	1.9
209.04417	1.7
209.11804	1.1
221.06407	1.3
221.08228	1.7
223.06065	32.0
224.06409	1.7
231.13733	2.7
240.07741	0.9
241.08646	1.0
265.07202	4.6
299.99130	1.4
313.05267	1.2
323.09933	1.4
333.20648	2.8
347.05386	1.7
348.06259	1.6
357.26007	1.6
391.04224	2.5
437.75323	1.0
439.08066	3.1
441.13638	1.1
451.08008	2.2
452.08560	0.9
467.11145	2.7
495.29288	2.9
511.10397	1.2
512.10217	1.2
555.10370	2.6
555.24280	90.0
556.24426	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	555.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62739	0.7
55.01748	1.2
58.57283	0.8
59.01251	8.3
61.98701	5.1
66.91589	0.7
68.13710	0.7
70.24232	0.7
71.01258	8.3
71.51498	1.6
73.02818	2.8
74.98965	0.8
75.00741	1.6
81.03320	0.9
83.01304	1.1
85.02824	4.3
87.00748	0.8
87.04393	0.9
89.02319	2.4
91.01778	2.7
93.03329	3.0
95.01315	1.1
96.95901	1.2
97.02795	1.0
101.02355	3.7
107.04882	0.9
108.02052	5.2
109.02839	11.1
111.00763	1.0
113.02322	2.6
119.01289	3.8
119.04883	1.5
120.99540	15.2
121.02862	4.9
123.00779	2.4
123.04412	1.7
125.02358	4.8
133.01341	1.0
133.02863	1.1
134.03609	2.8
135.04399	3.2
136.01550	1.0
137.02335	1.8
139.00261	1.0
139.03940	0.9
145.02834	0.8
147.00816	4.1
147.04401	2.5
149.02356	17.2
149.05984	1.9
150.03101	3.2
151.00261	1.7
151.03915	1.8
152.01047	3.4
159.04443	0.9
160.01625	1.2
161.02370	1.8
162.03099	1.1
163.03897	4.1
164.01106	0.9
164.04715	11.4
165.01814	2.2
165.05492	30.3
166.02635	8.5
166.06259	4.4
166.99802	0.8
167.03371	1.1
169.01344	3.9
169.05009	0.9
175.00287	24.9
175.03926	2.7
176.00885	1.0
177.01880	1.1
179.07021	2.5
181.04990	10.0
181.08611	2.9
189.01778	1.6
190.02657	73.8
191.03200	5.6
191.05374	1.0
193.01274	1.0
193.04945	2.3
194.02153	1.1
195.06615	2.4
196.03705	2.0
205.05009	76.4
206.05302	4.6
207.06462	1.3
208.03729	1.8
209.02509	1.4
209.04500	24.8
210.04823	1.6
211.06114	10.3
212.06322	1.2
223.06085	14.4
251.05498	2.3
300.99796	1.1
371.09879	1.3
373.12549	1.4
507.20633	1.4
525.20184	1.2
540.22388	1.5
555.24786	100.0
556.25146	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	555.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	1.1
59.01252	19.2
60.47769	0.6
60.99183	0.9
61.98686	3.9
65.00201	0.8
69.54746	2.7
69.55171	2.0
71.01249	2.9
71.01622	0.8
73.02818	1.4
73.29535	0.7
85.02823	0.9
88.98685	6.6
89.02330	0.9
93.03333	4.0
95.01242	1.3
95.04883	1.5
97.20959	0.7
101.02318	1.7
102.46401	0.7
108.02025	1.7
109.02841	1.4
113.02299	1.2
119.03348	0.7
121.02844	13.3
122.03638	9.1
123.00761	1.1
123.04382	2.8
125.02348	2.2
132.02074	0.9
132.57007	0.7
133.01273	0.7
133.02834	2.4
134.03595	1.4
135.04408	2.8
136.01538	1.2
137.02370	1.5
145.02907	0.9
147.04449	1.7
148.01459	0.6
149.02347	71.5
150.03130	79.4
151.00285	1.8
151.03522	2.9
159.04396	1.0
160.01553	2.5
161.02295	1.1
161.05936	0.7
163.03932	3.6
164.04709	16.2
165.05478	71.2
166.05890	5.0
169.01321	1.1
175.00259	1.8
175.03914	4.7
176.04515	0.7
177.01843	0.8
177.05472	1.6
179.07021	2.3
180.04178	5.1
181.04895	2.1
181.08594	1.4
190.02687	3.4
193.04973	2.0
195.06549	40.5
196.06889	1.9
205.04964	4.0
206.05551	0.6
207.06664	1.5
222.06767	0.7
223.05927	1.4
225.05440	0.7
226.06213	0.9
226.08267	1.0
235.06107	1.1
239.13968	0.7
240.04355	1.2
241.08611	1.4
255.02971	1.6
255.09918	1.1
267.06815	1.0
267.10352	1.9
268.11066	1.2
269.08185	5.4
269.11795	4.0
270.08585	1.4
271.02426	3.2
281.07980	0.7
283.09778	4.1
287.20151	0.9
296.10574	1.7
297.11288	11.1
298.08557	1.5
298.11887	2.3
299.09201	3.6
299.99625	1.0
300.02692	4.8
300.10056	1.7
301.03265	1.5
310.08221	0.8
311.09225	5.6
311.12878	3.9
312.09686	1.4
313.10837	1.8
314.11670	6.4
315.12375	3.1
325.10840	2.9
326.11688	4.1
326.15134	0.7
327.12213	1.8
328.13266	0.7
329.13876	12.6
330.14337	1.1
333.20685	70.3
334.21136	7.8
341.13956	9.2
342.14282	1.6
355.10880	1.1
371.14828	1.8
418.14029	0.9
419.14938	1.2
423.22580	1.0
431.15018	4.9
432.15341	1.1
433.16705	5.0
447.14227	1.2
461.16129	1.6
462.16885	4.8
463.17545	2.6
477.19196	18.5
478.19519	2.5
489.19263	2.4
492.18112	1.8
495.25668	1.1
507.20221	100.0
508.20563	17.0
517.17084	2.6
537.21417	1.2
555.22412	9.4
556.10657	1.9
556.23248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97905	4.9
57.03328	2.1
59.01250	53.1
61.98704	35.0
65.00203	2.1
68.99680	4.4
69.03320	1.5
69.83984	1.1
71.01254	13.3
71.51854	2.2
72.99166	2.4
73.02816	4.3
75.00745	1.8
80.97932	7.9
81.03346	2.9
83.01261	3.8
83.04873	1.4
84.97401	3.5
85.02809	4.9
87.00741	2.6
89.02309	4.6
93.03337	4.5
94.97988	1.2
95.01256	1.9
95.04895	1.7
96.95882	3.9
97.06474	2.0
97.98213	2.2
99.00760	1.3
99.04385	1.7
101.02336	8.3
108.02036	2.8
109.02833	5.3
110.93160	1.3
111.00784	1.5
112.05071	1.2
113.02328	5.4
115.00237	1.5
119.03380	3.4
119.04874	1.9
119.63257	1.1
120.99576	14.2
121.02834	3.8
123.00763	3.3
123.04405	9.6
124.01560	1.4
125.02344	10.2
125.05952	1.3
125.97726	7.1
133.02835	4.8
134.03615	2.5
135.04411	5.5
137.02347	9.4
137.09642	1.5
138.98473	1.5
139.00212	2.2
139.03838	1.9
141.00053	1.8
145.02856	1.7
147.04414	3.0
149.02386	6.1
149.05948	2.4
149.99496	91.6
150.03104	9.6
150.98595	1.1
151.00049	3.7
151.03899	2.8
152.01048	3.0
152.96420	16.5
153.05508	1.8
153.97224	16.6
160.01555	1.1
161.02364	9.5
161.04434	3.4
163.00323	1.3
163.03955	1.8
164.04713	3.1
165.01860	1.4
165.05515	8.6
165.97189	1.5
166.02580	1.4
166.98022	26.2
166.99615	3.0
167.03413	21.2
167.98450	1.2
168.99503	4.2
169.01292	2.4
173.02391	1.3
174.03107	1.9
175.00301	2.7
175.03912	7.5
177.01875	2.5
178.99800	1.5
179.03322	3.9
179.06924	1.5
180.95943	88.1
181.05009	3.6
181.08594	1.8
181.96724	100.0
182.96971	3.3
183.10197	1.5
190.02596	5.7
191.03160	2.5
193.05019	2.1
195.06557	4.9
195.98262	3.3
196.07300	1.4
196.99094	15.4
197.04449	1.6
205.05040	9.5
206.05431	1.7
208.99046	2.6
209.11737	1.9
221.04489	1.2
223.06032	3.8
225.14911	1.9
227.12837	5.6
249.03963	1.7
255.06525	1.6
258.05292	20.2
259.05508	1.6
269.13791	1.4
273.07684	84.5
274.07922	5.3
275.03934	2.1
283.06219	1.5
287.14948	9.5
289.01666	1.7
289.07101	1.6
290.02554	20.4
291.02710	1.7
293.04703	1.7
295.05457	1.6
298.08408	1.9
298.98145	1.7
300.99951	2.0
303.03079	2.2
305.04898	35.0
306.05283	3.2
313.10803	2.9
333.16837	2.8
333.20703	44.5
334.20947	3.6
341.09799	1.3
343.11874	2.0
344.02057	8.3
359.04401	41.2
360.04749	3.9
363.23990	2.6
379.15958	1.8
389.18253	2.9
393.06488	19.3
394.06607	2.3
435.12933	74.2
436.13400	9.3
439.13916	2.0
447.06137	9.1
449.20248	5.7
458.13846	1.7
467.10129	29.5
468.10522	3.7
493.20749	4.9
495.28391	1.7
519.29370	1.5
555.11926	28.2
555.24158	10.1
556.11865	4.1
556.24805	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	554.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
61.13189	0.2
61.98702	100.0
71.01274	0.2
89.02308	0.2
98.20531	0.6
101.02340	0.2
161.02345	0.2
175.03857	0.4
187.03891	0.2
191.05655	0.2
209.12143	0.2
233.08141	0.2
300.99579	0.2
333.21042	0.2
346.04651	0.4
347.05475	0.4
392.09158	0.3
491.13269	0.2
494.21426	0.2
499.38010	0.2
503.59650	0.2
554.10718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94092	0.2
56.29427	0.2
59.01248	25.2
61.98682	0.4
73.21489	0.2
78.95773	20.8
91.81488	0.3
96.96816	0.3
98.20538	0.4
122.98426	0.4
134.98372	0.3
136.73479	0.2
139.03882	1.0
152.99493	3.1
168.04202	2.7
224.06889	8.4
225.07138	0.4
237.22383	0.3
242.07988	1.6
255.23262	100.0
256.23608	8.5
256.26331	0.3
363.82846	0.2
480.30923	57.5
481.31274	7.9
555.34906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.3
56.97926	0.9
57.03321	0.4
59.01250	4.3
61.98699	2.7
65.00189	0.9
69.03333	0.3
69.39144	2.3
71.01253	2.1
72.99178	0.4
73.02809	0.5
75.00723	0.3
77.88100	0.2
79.16546	0.3
80.97914	7.4
84.97414	0.3
85.02818	1.2
88.98664	0.5
89.02315	1.1
89.85941	0.3
95.01283	0.4
96.95908	2.1
101.02333	1.3
107.01221	0.3
107.04869	0.4
108.02084	0.3
109.02822	0.5
112.96898	0.6
113.02319	0.6
119.01275	0.6
119.03442	0.3
119.04959	0.3
120.99541	0.6
121.02842	0.8
123.00780	1.4
123.04453	0.5
123.84846	0.3
124.96912	0.7
125.02333	3.3
125.97704	0.6
132.20236	0.3
133.02802	0.4
134.03609	0.5
135.04401	1.4
137.02342	0.5
139.00250	0.4
145.02916	0.4
147.00807	0.7
149.02357	1.6
151.00244	0.6
151.03993	0.4
152.01077	0.3
152.96420	4.9
153.01904	0.6
153.97182	2.0
154.98010	0.3
161.02367	1.2
161.04439	0.7
163.03897	0.8
164.04684	1.7
165.01845	0.3
165.05490	0.7
167.03429	0.3
168.99570	2.8
169.01329	3.8
173.04546	0.3
174.03188	0.4
175.00278	3.1
175.03906	2.2
179.07066	0.6
180.95921	100.0
181.96371	5.5
182.00342	0.3
189.01845	0.8
190.02618	10.6
191.03180	0.8
196.99062	2.4
197.02637	0.6
198.97139	0.3
202.00792	0.5
205.04988	9.1
209.04456	0.4
217.10503	0.4
223.06053	2.4
241.08748	1.2
259.69125	0.3
265.07150	1.2
289.01807	6.2
290.02194	0.9
295.08215	0.5
296.21625	0.3
303.03021	0.3
304.04086	1.9
305.04843	3.3
306.05188	0.4
313.05716	0.7
325.09506	0.6
333.20685	0.5
344.02051	18.4
345.02478	1.8
363.23959	0.3
368.30066	0.3
373.22003	0.3
393.06583	0.4
417.88623	0.3
452.01459	0.5
452.07773	8.0
453.08020	0.6
467.10138	50.9
468.10464	6.4
493.20798	0.5
511.21765	1.7
513.85889	0.3
555.13477	5.1
555.24384	7.9
556.13763	0.9
556.24744	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	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.01509	2.3
61.98708	2.9
71.01248	61.9
71.50217	3.6
72.99152	7.6
75.00703	3.3
83.01241	2.9
85.02808	9.1
87.00732	6.2
89.02316	71.4
90.02602	3.4
93.36541	2.7
95.01272	3.1
96.95880	13.9
98.02387	3.1
101.02309	30.0
109.02833	3.1
109.55126	2.4
113.02320	24.6
119.03378	42.9
125.02309	6.8
131.03337	3.8
135.02957	2.9
135.04430	2.6
143.03421	4.8
149.04320	2.5
161.04434	8.9
169.01317	3.2
175.03882	2.7
179.05527	30.5
229.01489	3.3
237.95737	2.7
271.04559	4.7
281.75323	2.7
300.99796	3.2
493.22806	43.0
494.23715	4.7
504.42435	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	553.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
61.98700	4.6
71.49440	0.6
71.49895	1.6
202.74356	0.7
261.34695	0.8
262.90387	0.8
410.04099	0.8
471.34753	100.0
472.35098	17.5
553.35071	57.9
553.43890	0.9
554.35364	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	553.3507
Annotation	Muscanone
Peak:m/z	Relative Intensity
50.25147	0.6
59.01255	1.5
59.90534	0.6
61.98701	18.3
68.95836	0.5
71.49989	1.0
80.96439	2.3
99.06149	0.6
125.69679	0.7
141.24930	0.6
215.14276	0.7
292.96051	0.6
337.86426	0.6
343.24805	0.7
393.31625	1.2
423.32513	1.0
471.34756	100.0
472.35129	17.7
553.27319	3.7
553.35028	63.8
554.35388	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	554.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.7
61.98703	100.0
69.10683	0.2
71.01257	0.5
71.51959	0.2
74.83564	0.2
75.00772	0.2
78.95790	0.2
93.03354	0.2
93.59422	0.2
96.95895	0.5
123.04453	0.2
125.02353	0.3
161.02312	0.3
174.03073	0.3
175.03987	0.5
187.03914	0.3
189.01875	1.2
299.99649	0.2
300.99762	0.4
313.04895	0.2
329.04568	0.4
330.05551	0.2
334.04660	0.5
345.04160	0.6
346.04794	0.7
347.05594	1.5
359.05658	0.6
360.06281	0.3
391.04654	0.8
392.09335	0.5
392.19568	0.3
393.09833	0.3
395.09454	0.3
413.10254	0.5
431.11395	0.3
439.08395	0.9
449.10233	0.3
451.08209	1.3
467.11264	2.4
511.10672	0.4
554.10303	0.4
554.24457	0.2
554.41034	0.3
555.15503	0.6
555.27319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55080	0.3
51.45316	0.3
55.01752	1.1
57.03320	1.8
58.00467	1.3
58.14223	0.2
59.01249	95.8
60.01598	1.0
60.99169	0.3
61.98696	0.5
66.06236	0.3
67.94959	0.3
68.99695	0.3
69.03329	0.9
71.01250	26.1
71.04478	0.5
71.04835	0.5
72.01604	0.3
72.99189	2.0
73.02820	8.0
75.00751	1.0
81.03334	0.5
83.01263	4.3
83.04916	0.3
85.02817	10.1
87.00732	2.2
87.04391	0.4
88.98710	0.6
89.02313	15.3
93.03307	0.4
95.01248	1.8
96.95879	0.4
97.02874	1.2
97.06496	0.5
99.00743	1.6
99.04405	1.9
101.02320	19.2
102.02686	0.4
103.03877	0.9
108.02031	0.5
109.02865	0.9
109.06490	0.7
111.00777	0.6
113.02328	9.1
119.03391	5.6
120.99606	0.4
121.02905	0.7
121.04951	14.6
121.06357	0.6
123.00779	0.9
123.04372	0.6
125.02336	2.5
131.03409	0.7
136.98984	0.3
137.02328	1.2
139.00298	1.1
140.01053	0.6
143.03409	2.1
145.04959	0.9
149.02393	0.5
149.04433	0.7
151.00227	0.4
151.03925	0.7
159.02907	0.5
161.02396	0.4
161.04488	3.8
161.05893	0.4
163.06035	1.8
165.01816	0.5
165.12772	1.6
166.99820	0.9
167.10687	0.6
169.01340	1.0
173.04367	0.3
177.01846	0.5
178.99788	0.4
179.05505	1.4
181.12425	0.3
184.00053	1.4
185.00800	0.4
187.04247	0.3
187.06039	1.6
189.12762	0.8
191.05424	0.4
195.06502	0.4
207.13867	2.3
209.11787	6.8
210.12039	0.3
225.14915	6.9
227.12843	32.8
228.13098	2.0
251.12946	0.4
265.09280	8.6
269.13959	2.2
283.10333	11.0
284.10892	0.4
287.14987	1.7
316.02097	0.3
317.03201	0.4
325.11386	3.0
356.29611	0.3
456.25854	0.3
517.22632	0.6
535.23914	9.0
536.24268	1.0
553.24994	100.0
554.25354	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	553.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01212	0.2
61.40520	0.1
61.98677	0.5
63.02256	0.7
65.00172	0.3
65.03810	0.2
65.71645	0.2
69.03316	0.2
69.54019	0.2
71.04869	0.2
71.05189	0.4
78.95776	0.5
80.96396	0.7
91.00748	0.2
95.04914	0.2
96.02073	0.2
97.02839	0.7
119.01261	0.3
124.01547	40.2
125.01862	0.9
136.25063	0.2
137.02335	0.2
138.03119	1.6
139.03905	100.0
140.04247	3.3
153.05469	1.9
165.01866	0.2
175.03883	0.6
187.00262	0.2
204.00562	0.3
219.02948	0.4
221.06056	0.2
226.06406	0.3
233.09494	0.2
249.05609	0.4
253.04955	0.4
261.05521	0.2
263.07022	0.4
265.35474	0.2
267.06696	0.3
269.08127	1.1
299.10760	0.3
311.10748	0.3
322.10223	0.2
339.10153	1.1
340.10892	0.3
353.12033	0.5
354.12604	0.6
355.13318	2.2
356.13748	0.2
369.15021	1.6
370.15314	0.4
373.25403	0.2
385.14438	0.2
397.62485	0.2
399.12445	1.2
413.13901	0.5
535.04773	0.7
546.25391	0.2
553.18756	1.9
553.27118	0.7
554.18854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38203	0.5
59.01252	1.7
61.98713	4.3
63.02261	1.0
63.99156	0.6
65.00204	1.4
78.95766	1.6
80.96383	1.6
95.76353	0.5
97.02850	0.7
98.19841	0.9
121.02840	1.3
124.01547	38.4
125.01851	1.0
125.29351	0.4
138.03116	2.5
139.03905	100.0
140.04228	3.8
147.04404	0.9
149.02353	0.7
153.05475	2.6
156.05600	0.5
160.84805	0.4
165.01801	2.6
177.01907	1.0
178.02547	0.5
181.04936	0.8
193.06493	0.5
195.06451	0.8
225.00587	0.4
225.05374	0.5
226.06345	1.8
227.07141	0.5
229.69283	0.6
233.09708	1.8
237.05521	0.8
241.08728	2.1
251.07190	1.1
253.05031	4.0
254.05789	1.6
255.10240	0.8
255.23215	1.6
267.06470	0.7
269.08167	21.5
270.08524	1.3
271.09952	0.9
283.09756	5.2
284.10284	0.7
299.10797	0.5
307.09717	0.6
311.10678	0.6
339.10144	2.6
340.10919	1.2
341.11865	5.4
342.12201	0.5
354.12482	0.7
355.13409	2.4
362.66974	0.5
369.14960	2.3
371.08527	0.5
387.15988	0.8
413.13977	3.8
480.31052	0.9
553.18689	6.2
553.26959	2.2
553.34644	0.9
554.18726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13693	0.2
61.98691	0.2
63.02267	0.6
65.00191	0.4
71.29276	0.3
71.29631	0.2
95.01269	0.3
95.90918	0.2
96.14323	0.2
97.02865	0.4
108.02028	0.2
109.02835	0.3
117.03303	0.2
119.01302	0.3
124.01550	44.6
125.01804	1.0
137.02269	0.3
138.03117	2.7
139.03908	100.0
140.04242	3.3
143.01357	0.2
147.04424	0.2
149.02386	0.2
153.05475	3.0
161.02348	0.2
165.01846	1.0
171.04356	0.2
174.44363	0.2
175.03896	0.6
204.00616	0.2
219.02879	0.4
225.05389	0.2
226.02673	0.2
226.06161	0.4
233.09666	0.2
237.05515	0.2
241.08495	0.3
249.05469	0.3
253.05066	1.2
263.07126	0.3
267.06610	0.6
269.08087	1.8
283.09830	0.6
311.10724	0.5
323.10852	0.4
337.08762	0.4
338.09186	0.2
339.10281	2.1
340.10855	0.7
341.06882	0.3
353.11844	1.0
354.12628	1.7
355.09064	0.2
355.13312	2.5
356.13922	0.3
369.14957	2.1
370.15353	0.3
399.12408	1.0
413.13931	0.4
471.34741	3.4
472.35269	0.3
535.17407	0.4
553.18671	26.8
553.35577	0.8
554.19043	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1561
Annotation	Arillanin G
Peak:m/z	Relative Intensity
55.01748	0.8
57.03328	0.4
58.00471	0.3
59.00954	0.5
59.01246	9.1
60.60426	0.3
60.99177	0.6
61.98709	1.2
67.01761	1.5
68.99710	0.3
69.03325	0.9
71.01254	8.3
71.51204	0.4
72.99179	1.0
73.02813	4.0
75.00737	0.4
79.01762	0.9
81.03313	0.7
83.01267	1.8
85.02818	4.0
87.00762	0.9
88.98676	3.6
89.02320	2.8
93.03420	0.3
95.01273	2.2
96.95881	0.4
97.02834	1.2
99.00751	2.2
101.01705	0.2
101.02309	5.7
107.01267	30.6
108.01568	0.8
109.02811	1.0
111.00760	1.3
113.02318	3.8
119.03464	0.5
121.02873	0.4
123.00762	5.5
124.01627	0.4
125.02330	70.3
126.02692	2.1
131.03418	0.5
135.04436	0.5
136.98859	0.6
137.02327	0.7
139.00261	3.6
139.03879	0.5
140.01025	0.9
141.01828	1.1
143.03491	0.3
151.00252	2.7
152.00980	0.3
154.99792	0.4
159.02916	0.7
161.02422	0.3
161.04474	3.0
164.98225	0.3
166.99768	1.2
168.00569	1.3
169.01329	100.0
170.01669	4.1
170.57272	0.3
179.03436	0.4
181.01337	0.7
189.01720	0.3
195.06514	0.3
227.12849	2.4
243.02888	0.5
251.26256	0.3
265.09232	0.6
269.10208	1.6
271.02475	1.1
283.04654	0.8
283.10291	0.4
287.15088	0.4
293.04587	0.5
300.02698	2.6
301.03610	0.8
350.72739	0.3
401.14243	0.8
463.08887	3.0
464.09116	0.4
493.22717	1.0
553.15607	78.4
554.15912	12.7
554.24030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.5
59.01253	28.0
61.98700	24.1
69.79969	7.4
69.80372	5.7
71.01241	10.1
73.02821	5.1
75.07076	1.9
83.01240	4.1
83.43221	2.3
85.02825	3.2
87.04391	2.6
89.02320	4.5
101.02321	6.9
109.02824	5.0
113.02306	4.1
113.84554	2.2
120.99667	2.0
121.02839	5.2
121.06519	2.8
123.04348	3.6
125.02336	6.0
133.02866	4.2
137.02325	6.5
145.02791	3.1
149.02328	5.7
149.04498	2.5
161.02339	5.8
161.04494	3.2
163.03885	2.7
164.04625	4.3
167.03401	5.0
175.03902	5.0
177.01846	4.9
183.10240	5.2
190.02649	10.7
197.94206	2.2
201.11346	2.5
205.05009	11.1
209.11765	3.5
223.06009	7.7
298.98245	3.2
299.98834	2.5
300.99817	4.1
329.56934	2.4
340.13120	28.0
341.13794	5.4
347.16943	3.2
355.15494	100.0
355.24869	4.2
356.15823	12.6
360.05347	3.1
390.09900	3.0
517.24390	3.1
553.08777	3.3
553.22253	12.6
579.37274	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	553.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95784	1.2
55.01748	2.3
57.03310	1.6
59.01246	53.6
59.30035	1.1
60.99174	9.7
61.98693	3.9
66.09499	1.1
67.01793	1.3
67.75739	1.2
69.03344	1.2
69.65681	1.2
70.81475	1.9
70.81807	1.6
71.01251	30.5
72.99188	2.1
73.02814	10.6
75.00753	2.7
79.01758	1.3
83.01248	3.7
85.02821	13.5
87.00759	4.4
87.04366	1.2
88.98672	66.9
89.02323	13.9
92.73280	1.4
95.01265	4.8
96.95895	1.6
97.02818	1.7
99.00753	5.4
101.02316	23.9
107.01272	5.5
109.02825	3.5
111.00775	2.3
113.02320	10.3
119.03393	2.4
120.99515	2.6
121.02826	3.0
121.04956	7.2
123.00772	13.8
123.04369	2.1
125.02321	18.9
131.03476	1.2
135.04460	2.3
137.02356	2.7
139.00237	5.1
139.03857	1.3
139.11195	7.4
140.01012	1.6
141.01826	1.6
143.03294	1.5
143.24274	1.1
147.06555	1.8
151.00284	11.7
153.01828	2.2
161.02324	1.8
161.04489	7.9
163.00244	2.0
163.03900	1.7
164.98244	1.2
165.01846	2.3
165.05487	1.6
165.07564	2.8
166.99745	2.8
168.00584	2.4
169.01305	20.5
177.01883	1.9
178.99753	3.5
179.03358	2.2
181.05060	1.3
181.12234	2.1
183.10202	9.0
225.04039	1.4
225.11217	5.3
225.14856	3.5
227.12808	16.4
243.02954	2.8
255.02982	10.2
265.09210	4.5
269.10251	4.2
271.02359	18.2
272.02985	1.9
283.04749	2.7
283.10251	4.4
293.04581	2.4
300.02704	41.2
300.06198	2.0
301.03354	20.5
354.41312	1.3
375.13998	1.5
387.23862	1.3
399.39902	1.4
401.14676	5.9
463.08810	65.2
464.09103	10.6
535.23938	4.2
552.21863	2.6
553.15576	68.3
553.24902	100.0
553.31647	3.8
554.16138	8.1
554.25415	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	553.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.4
57.03325	6.1
59.01251	46.6
61.98703	38.5
65.00217	3.9
68.99696	5.1
69.03314	5.1
71.01258	30.4
72.99174	6.7
73.02824	11.5
74.98981	3.4
75.00755	10.7
79.01768	2.6
81.03336	2.6
83.01257	4.8
83.04913	2.8
85.02824	19.1
87.00735	9.7
87.86605	2.2
88.98680	10.0
89.02309	15.3
93.03350	10.9
95.01260	29.8
96.95899	6.6
97.02835	9.2
99.00751	9.7
99.04407	3.4
101.02319	21.3
102.98459	2.8
107.01270	8.1
108.02051	91.4
109.02865	46.8
111.00758	6.5
113.02309	18.1
113.76257	2.0
119.01274	3.8
119.03384	6.2
119.04930	4.2
119.97042	2.4
120.99532	7.4
121.02839	17.3
122.03586	5.8
122.99915	4.0
123.00770	49.1
123.04410	16.9
124.01535	9.2
125.02349	29.8
132.02116	2.5
133.02859	9.5
134.03673	4.9
135.00761	9.9
135.02859	3.6
135.04408	11.0
136.01579	2.4
136.98935	2.2
137.02322	15.2
137.09630	4.9
139.00296	17.4
139.03923	12.6
140.01028	7.0
141.01869	14.2
143.57686	2.2
145.02873	4.2
147.00804	4.9
147.04478	2.6
148.01608	3.6
149.02351	15.4
149.05966	6.9
149.99493	6.6
150.03104	4.8
151.00279	6.1
151.03908	10.3
152.01056	100.0
153.01846	41.8
153.05438	8.7
153.09041	2.2
153.98929	4.6
156.69907	2.1
159.04407	2.4
160.01596	3.2
161.02365	25.3
161.04427	6.1
161.09610	1.9
161.99492	3.2
162.02667	10.1
163.00305	8.1
163.03929	8.4
163.07544	2.5
164.01057	3.8
164.04691	6.7
165.01843	16.7
165.05461	7.0
166.02621	6.3
166.99776	14.4
167.03427	19.0
168.00548	24.8
169.01324	22.1
169.04991	3.0
173.02342	2.5
173.04494	2.9
174.03079	2.7
175.00293	5.5
175.03938	8.9
176.01123	5.9
177.01849	13.7
178.02597	3.5
178.99815	6.7
179.03467	15.4
180.00589	2.6
181.01324	8.7
181.05083	2.8
181.08623	3.5
182.01999	2.5
183.02917	16.6
184.00047	6.6
187.07597	3.8
190.02632	10.2
190.99786	5.7
191.03429	5.5
191.05330	3.0
192.03935	2.2
193.01422	4.7
193.04968	6.8
194.02078	3.1
195.02942	8.2
195.06569	4.3
197.04507	5.2
197.11804	2.5
199.03859	2.7
205.01416	6.2
205.05005	15.7
206.02180	3.7
207.02881	4.2
209.04460	6.6
217.01347	2.5
221.04568	5.5
223.06075	8.2
237.03870	4.0
265.07217	6.3
267.07236	3.0
275.02081	2.4
297.06174	5.9
299.99475	2.4
300.99838	6.8
303.21771	10.0
313.05539	3.8
315.07202	65.7
316.07422	5.3
325.09134	2.8
331.06702	7.6
332.06979	4.0
333.07251	3.9
381.05978	2.7
390.25797	2.8
391.26852	4.8
489.06531	2.9
507.11316	2.9
509.12851	5.9
509.20212	5.3
520.12061	7.1
521.09473	5.1
535.10767	10.6
552.25171	11.8
552.31213	11.0
553.12054	27.7
553.22546	37.3
553.29901	11.4
554.12830	3.5
554.23175	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52017	1.8
55.01751	1.7
57.03333	5.0
58.00459	5.3
58.77159	1.9
59.01249	100.0
61.98701	25.4
64.06977	1.7
69.03320	7.0
71.01253	69.3
72.99170	8.1
73.02815	15.6
73.32012	1.8
75.39383	1.8
76.21129	2.1
81.03333	5.9
83.01267	7.6
85.02821	20.3
87.00768	7.2
88.98697	7.9
89.01755	3.9
89.02317	77.8
90.02612	2.0
92.26569	1.8
93.03344	7.2
95.01257	6.8
95.04919	2.3
96.95860	4.5
97.02820	7.9
98.20517	3.6
99.00759	5.9
99.04421	2.7
101.02328	58.0
101.03016	3.2
106.38809	2.1
107.01221	2.8
108.02059	3.0
109.02826	3.3
111.00713	2.7
113.02323	34.7
118.02856	2.0
119.03394	37.3
124.01537	3.3
125.02348	35.0
131.03409	5.3
133.02856	5.2
134.03615	3.8
135.04398	6.9
137.02325	8.4
139.03914	3.0
143.03410	10.6
145.02846	4.2
147.04443	2.7
149.02425	4.6
149.04527	2.6
149.05971	3.5
150.03134	2.4
151.00227	3.4
151.03868	2.4
152.01102	2.1
158.03615	2.8
159.04411	3.4
160.01501	2.7
161.02351	12.4
161.04465	15.0
163.03931	4.0
164.04666	3.4
165.05489	2.6
167.10686	33.5
169.01381	3.0
173.05969	2.7
175.00258	2.5
175.03862	4.4
179.05531	29.2
179.06964	3.2
182.16640	2.1
183.10234	4.1
190.02640	6.2
191.03413	2.1
201.01755	2.3
202.02647	7.0
203.03009	7.9
204.03107	4.4
205.05098	6.4
213.09128	4.8
221.06627	15.4
223.06068	9.2
242.99300	4.6
255.06630	7.5
256.06921	4.3
257.08203	29.1
263.07663	4.4
270.98853	18.4
283.99573	3.4
298.98398	19.7
299.99072	54.4
300.99658	8.3
310.30884	2.2
323.09796	33.0
328.22122	2.1
359.05389	3.0
359.20648	5.3
389.12265	2.1
389.24902	4.3
491.33746	4.2
507.23291	2.4
551.08392	51.6
551.19781	13.6
551.31134	3.6
552.08630	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	552.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05132	0.6
55.72610	0.7
59.01251	1.6
61.98702	100.0
62.23850	0.6
69.24165	5.8
69.24589	1.4
80.96409	1.5
95.33901	0.6
97.05062	0.6
140.56435	0.6
156.07762	0.7
192.19627	0.7
421.47519	0.7
471.34775	36.3
489.26614	1.8
553.26923	2.6
553.35010	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.5
57.03293	2.2
59.01248	22.8
61.89153	1.0
61.98708	6.0
62.97691	0.9
69.03281	1.1
71.01250	17.3
71.09662	1.8
72.99149	2.2
73.02816	4.6
75.00719	1.0
79.95560	0.8
80.42474	0.8
80.96360	1.0
83.01242	3.7
83.04887	1.3
85.02820	9.4
87.00718	3.4
88.98637	2.4
89.02318	10.5
91.01753	1.9
92.55112	0.8
93.03294	2.3
95.01218	2.5
96.95880	0.8
99.00723	2.8
101.02322	12.8
107.04899	1.0
108.02008	3.3
109.02798	2.4
111.00726	1.9
113.02338	6.8
117.03323	1.3
117.69672	0.8
119.01265	5.3
119.03353	3.0
119.04858	2.6
121.02832	8.2
121.10117	4.3
123.00731	2.6
123.04393	1.9
124.01547	7.8
125.02302	1.9
132.02026	2.4
133.02737	1.3
134.03546	3.3
135.04414	4.1
137.02356	4.4
137.05968	1.9
138.03061	1.0
139.03905	4.3
139.11110	1.3
145.02820	1.9
147.00790	4.0
147.04366	3.2
148.01390	1.2
149.02341	44.5
150.02869	3.1
151.03848	1.7
152.01079	4.0
153.01758	1.6
160.01553	5.8
161.02342	4.6
161.04395	3.3
161.05672	0.7
161.09566	2.1
161.13268	0.9
163.03923	4.8
164.04707	30.8
165.01823	1.7
165.05096	2.2
165.09010	0.9
169.04955	1.1
175.00282	30.4
175.03929	7.2
176.01047	12.5
176.04198	3.2
177.01675	2.6
178.02357	0.8
179.03386	1.9
179.06966	2.3
179.10670	0.9
183.10159	5.7
187.11093	2.2
189.01811	1.6
189.09033	1.6
190.02637	77.4
191.03403	15.4
192.03886	1.1
193.01306	1.1
193.04990	1.4
195.02908	1.0
205.05002	100.0
206.05403	6.2
207.06326	1.4
207.10106	1.2
208.03654	2.4
209.04420	2.8
209.65584	0.9
219.06396	0.8
221.08223	1.1
223.06068	31.0
224.06409	1.8
227.16489	1.1
243.12204	1.7
265.07205	5.1
267.12344	1.1
270.98892	4.4
271.01480	0.9
288.82101	0.8
295.08145	1.4
298.98254	3.8
299.98935	3.3
300.99716	1.1
325.09006	2.3
327.14795	1.0
345.15521	59.6
346.15933	5.9
353.23016	1.0
359.05322	2.4
507.22357	8.8
508.22287	1.7
519.18732	4.4
520.18848	1.2
551.08899	10.0
551.20947	64.4
552.08264	1.4
552.21399	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	551.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34731	0.5
57.03318	1.3
57.23984	0.6
58.00461	0.6
59.01250	9.3
60.99176	15.8
61.98692	2.3
63.46900	0.6
65.13239	0.5
69.03307	0.6
70.38952	2.3
71.01260	4.9
72.99171	2.2
73.02820	1.5
78.91756	0.7
83.01242	0.8
85.02817	1.3
87.00735	3.1
88.00285	3.3
88.98676	100.0
89.02316	38.8
89.99025	1.1
93.03341	1.4
95.01254	0.7
95.41893	0.6
96.95911	1.0
97.29570	0.6
99.00768	1.1
101.02332	2.4
108.02039	0.7
113.02343	1.5
116.37975	0.6
119.03415	0.6
121.02843	1.0
123.00761	0.8
124.01536	0.9
125.02346	2.5
133.02780	1.0
135.04425	1.2
137.02350	1.6
139.11179	1.2
145.02924	0.6
149.02322	1.3
149.04462	1.1
153.09131	4.1
155.19395	0.6
161.02420	3.5
161.04480	1.1
163.03922	0.9
164.04749	1.1
174.03110	2.1
175.00241	0.8
175.03914	4.2
179.03374	1.0
183.10176	7.0
189.05518	0.8
190.02617	1.7
190.06261	0.8
191.03471	0.9
192.98555	0.6
205.01381	0.9
205.04941	1.8
209.00822	0.8
211.03972	1.1
223.13277	1.0
227.03453	1.9
255.02896	1.5
269.04529	2.5
287.93399	0.5
293.08765	0.8
299.01822	1.1
299.99179	1.1
315.05054	1.1
342.05591	0.8
358.04889	1.2
359.05402	3.4
388.09317	3.0
389.15317	0.6
389.19781	1.2
461.10913	2.1
551.12439	4.1
551.24005	5.6
552.11969	0.7
566.59991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52273	0.7
57.03317	0.9
59.01251	10.5
60.99178	15.0
61.98701	4.2
69.03326	1.5
70.11958	0.5
70.22269	0.5
71.01248	4.9
72.99184	2.1
73.02807	0.8
83.01263	0.7
83.04895	1.1
85.02824	1.6
87.00743	2.6
88.00260	3.1
88.98676	100.0
89.02318	35.4
89.99006	1.3
90.02673	0.8
93.03318	1.1
94.61653	0.5
95.01276	0.9
96.95880	0.9
99.00803	0.6
101.02322	2.5
104.48489	0.6
109.02876	0.9
111.00761	0.8
113.02387	1.2
119.03393	1.4
121.02818	1.2
123.08015	0.6
124.01523	1.1
125.02323	2.0
131.03413	0.8
133.02829	1.9
135.04414	2.5
137.02333	2.2
139.03864	1.2
139.11180	1.3
147.04472	0.7
147.84395	0.6
149.02345	1.5
149.04469	1.3
151.03912	0.8
153.09087	2.1
160.01534	0.7
161.02353	5.8
161.04468	1.3
163.03915	1.1
164.04671	0.6
169.01312	0.9
173.02345	0.6
174.03098	4.1
175.03915	12.7
176.04341	2.0
177.01817	1.2
179.03445	0.9
181.04932	0.6
183.10184	11.9
184.10587	0.6
189.01900	2.1
190.02599	2.1
191.03398	1.3
191.05400	0.8
193.04947	0.7
197.11707	0.8
201.83348	0.6
204.00578	0.6
205.01389	1.1
205.05023	2.3
209.11809	0.5
211.03967	1.1
213.04109	0.6
214.04922	0.6
218.02185	0.7
219.06615	0.6
223.06071	1.8
223.13240	0.8
225.11046	0.6
269.04559	1.5
293.08774	1.5
299.99051	1.8
300.99786	0.6
303.42728	0.7
358.05008	1.5
359.05490	3.5
388.09482	3.7
389.10461	0.9
389.19522	1.1
451.04367	0.7
517.69318	0.6
551.11371	1.7
551.24731	6.4
552.22534	0.6
555.84351	0.6
570.99908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03052	2.0
57.84746	2.2
58.00467	2.4
58.63414	2.3
59.01247	48.9
61.98708	10.0
65.00201	2.2
67.01772	3.0
69.03282	2.0
71.01242	26.2
71.50758	3.1
72.99183	5.2
73.02805	6.6
74.43433	2.3
74.98982	3.9
75.00736	3.0
78.78568	1.8
83.01241	6.5
85.02799	11.7
87.00769	12.6
87.04387	2.7
89.02319	11.8
93.03300	3.9
95.01250	9.3
96.95885	4.2
97.02802	3.3
99.00748	2.3
99.04367	2.0
101.02303	14.8
108.02044	6.4
109.02867	3.4
111.00756	6.7
113.02304	10.1
113.36209	1.8
113.85202	2.1
114.98644	2.1
117.03345	14.9
118.03699	2.6
119.03385	7.6
119.04903	4.2
120.99527	7.3
121.02857	14.2
123.00746	8.6
123.04440	4.8
125.02336	17.2
132.02054	19.7
133.02800	8.4
134.03621	53.2
135.02968	3.3
135.04359	13.3
136.01505	2.8
136.98949	2.0
137.02318	9.2
139.00262	15.6
139.03862	7.3
145.02847	37.1
146.03519	9.3
147.00777	2.5
147.04408	16.9
148.05139	2.2
149.02338	12.8
149.05954	13.6
150.03116	43.7
151.00261	4.7
151.03995	4.4
153.01820	4.7
153.05441	4.1
159.04312	2.1
160.01558	84.9
161.02336	57.5
161.04398	4.3
162.03125	45.6
163.03897	9.6
164.04709	12.5
165.01874	4.9
165.05446	22.2
166.99751	4.0
167.03418	3.0
168.00531	2.3
169.01375	13.0
173.04507	3.0
173.05959	3.5
174.03009	4.3
175.00302	17.7
175.03914	100.0
176.04659	16.1
177.01878	4.5
177.05493	20.4
178.02621	7.2
179.03372	9.4
179.05554	3.0
179.07016	2.8
180.04135	5.1
181.01378	2.5
182.02167	5.3
183.02907	8.4
183.06509	2.2
189.01881	3.1
190.02666	42.3
191.03113	2.2
191.05492	3.2
191.07053	22.0
193.04970	72.4
194.05499	6.7
195.06517	7.1
197.04492	5.8
201.01726	2.7
201.11246	3.4
205.01361	2.4
205.04991	42.0
207.06583	7.1
209.04451	3.5
209.08078	2.9
217.04907	3.1
220.03658	3.8
223.06078	8.1
225.11201	2.6
227.12799	4.7
235.06090	71.3
236.06464	2.6
265.07156	26.1
273.00394	6.5
274.01151	5.6
275.01923	4.5
287.14969	7.7
295.08188	40.4
296.08649	4.0
300.99814	8.0
303.63336	2.1
307.08130	3.9
327.04990	4.8
331.06577	11.2
337.09314	3.1
341.08981	4.6
345.08575	4.9
345.12988	2.3
355.10300	10.0
367.10297	45.0
368.10596	6.2
371.24506	2.6
389.12231	2.9
399.03583	4.1
409.42212	2.3
463.07443	2.4
503.15372	4.9
533.16510	42.7
534.17114	7.0
551.17175	55.1
551.25006	3.8
551.30310	18.5
552.18036	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	551.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
60.99178	15.9
69.38873	0.5
69.39222	5.2
77.63768	0.7
77.78119	0.6
88.98675	100.0
89.02306	1.6
89.98957	1.0
109.02817	0.8
121.02821	0.7
136.75134	0.6
165.01845	3.4
169.06459	0.7
181.48776	0.6
183.10176	1.5
193.01337	1.5
205.04933	0.6
215.51930	0.7
227.03450	1.1
243.02927	1.0
254.02110	0.9
255.02824	1.2
271.02469	10.1
272.02750	1.3
299.01981	16.5
300.02567	3.8
314.04324	17.5
315.05063	17.1
316.05527	1.7
388.09338	0.9
398.44290	0.7
432.83301	0.7
461.10873	40.0
462.11029	6.1
516.56702	0.6
517.70441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34784	1.0
56.21664	1.0
58.00443	1.9
59.01244	9.8
62.20786	1.0
69.32891	5.9
69.33314	4.0
71.01263	3.2
73.02828	2.5
85.02825	2.6
87.00745	3.0
89.02301	1.6
98.20577	2.1
101.02290	1.8
113.02323	1.3
116.92722	4.0
117.03354	1.2
121.02878	2.5
123.00723	1.9
123.04407	1.3
124.01546	1.6
132.02068	13.9
133.02831	1.9
134.03632	22.0
135.04356	1.1
137.02309	2.4
139.03876	1.9
145.02856	4.2
147.04419	1.5
149.02379	6.1
149.06000	4.7
150.03134	23.5
151.03784	2.2
160.01566	65.4
161.02368	7.0
162.03122	2.8
163.03877	1.5
164.04678	2.5
165.05482	19.6
166.99809	1.5
168.00526	2.4
175.03920	100.0
176.04283	5.7
177.05522	1.3
178.02664	1.7
179.03436	2.6
180.04147	2.7
182.02193	2.2
182.46240	1.0
183.02927	4.0
193.04990	20.2
195.06522	18.1
205.04979	1.9
216.53516	1.2
221.04536	1.5
225.03970	4.9
285.06207	8.8
337.09271	51.5
337.13400	2.5
338.09537	4.1
345.08215	1.3
367.10333	1.3
389.15021	1.3
463.39322	1.2
489.11801	1.2
503.15588	86.6
504.15961	14.2
515.15503	2.8
533.16669	6.4
551.17218	2.1
551.25531	1.3
551.31262	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	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.4
60.01583	0.3
61.01678	0.4
61.98701	100.0
62.98406	0.2
69.28248	1.3
79.09432	0.1
98.20492	0.4
108.88226	0.1
109.35040	0.1
118.56140	0.2
121.57412	0.1
125.32451	0.2
184.24835	0.2
316.45331	0.1
378.73776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74582	0.4
59.01247	3.7
60.01570	0.6
61.01680	0.4
61.98701	100.0
68.67571	0.3
93.01888	0.4
133.21080	0.4
210.05434	0.3
229.55432	0.4
475.61826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89480	0.7
57.03329	1.2
57.96442	0.7
59.01250	19.8
60.94285	0.7
61.98699	26.1
71.01252	7.3
71.03276	0.9
71.04544	1.5
73.02813	2.3
75.00768	0.9
79.95592	0.9
81.75385	0.8
83.01250	1.4
84.16021	0.7
85.02785	3.9
87.00739	1.6
87.04362	0.9
89.02316	8.2
93.03322	0.9
95.01248	1.2
96.95895	6.6
97.02813	1.0
99.00787	1.0
101.02322	4.3
113.02338	3.4
114.72702	0.9
116.41614	0.8
119.03381	1.9
121.02858	0.9
122.02370	3.9
123.04382	2.9
124.01565	4.2
125.02343	4.2
131.03375	1.5
133.02769	1.1
135.02907	1.3
135.04366	2.4
136.03912	2.3
137.02356	1.3
139.03882	2.8
145.02827	1.7
149.02292	1.9
153.05469	2.5
161.02353	5.6
161.04485	1.6
163.04010	0.9
169.01294	1.2
175.03925	1.7
179.03365	2.8
183.02882	2.8
190.02631	2.8
191.05495	1.2
193.04860	0.9
205.04941	4.7
207.13812	1.2
209.06094	0.9
222.03169	4.5
225.05606	1.2
235.03961	1.4
240.04179	2.1
250.02696	7.5
251.03291	1.5
253.05011	3.6
255.02910	1.1
269.17532	2.1
278.02228	13.3
279.02927	4.2
280.03720	1.2
295.02621	0.9
296.03339	1.5
297.11740	1.8
306.01718	1.7
307.02502	13.2
308.03024	1.2
324.02722	100.0
325.03442	65.2
326.03754	5.7
353.08395	0.8
367.10233	1.2
487.08795	83.1
488.09149	10.7
549.25159	6.8
550.16846	1.9
550.25403	3.5
551.14075	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	550.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45789	4.8
59.01260	23.5
59.38888	4.4
61.46180	4.0
65.00204	6.9
71.01257	21.2
71.50311	6.9
72.99169	15.6
83.01279	9.3
85.02834	15.4
87.00745	9.2
89.02316	11.2
89.51391	4.4
93.03374	4.8
95.01278	5.3
99.00759	9.0
101.02283	10.7
109.02819	13.8
111.00735	10.4
113.02309	18.3
120.99497	7.4
121.02853	7.4
123.00754	8.5
124.47751	4.8
125.02312	18.8
133.02826	9.6
134.02411	5.5
135.04407	9.0
136.98912	8.1
137.02361	14.2
139.00246	24.3
139.03903	5.0
149.02310	11.4
151.00261	27.2
153.01794	10.6
161.02371	16.0
162.01819	5.1
163.00287	5.7
163.03876	5.8
164.01006	4.2
165.01775	14.9
165.05573	6.0
165.98959	5.4
166.99695	8.1
167.03424	6.0
169.01262	7.5
173.02214	5.7
175.00240	10.0
175.03894	7.8
177.01814	15.2
178.99771	26.6
179.03514	5.6
180.04248	4.8
181.04721	4.8
182.01906	5.6
189.01904	5.8
190.01260	4.7
193.01347	39.3
193.03407	15.7
194.99255	9.0
203.03479	9.5
204.02992	5.7
205.01289	4.8
206.00841	6.5
209.00821	10.0
215.03383	4.7
218.02414	4.9
220.02423	6.5
228.20921	5.1
243.03021	7.1
271.02502	10.7
275.01944	6.0
287.02014	10.5
288.02377	6.1
294.04153	5.8
297.12537	7.7
301.03448	14.6
311.01917	5.5
312.05145	7.3
313.03360	4.5
316.02185	20.4
317.02798	8.5
323.07550	16.0
324.07788	12.1
326.12216	5.3
328.04364	7.0
329.02899	28.4
333.02441	6.6
338.02972	18.7
347.03906	6.9
353.11270	7.7
356.04071	100.0
357.04468	8.4
369.04376	9.5
374.05124	57.3
403.22275	4.3
414.07001	10.9
427.91141	4.9
429.12396	5.4
518.14972	7.3
532.07788	5.7
550.08508	8.9
550.16956	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05271	0.2
57.06921	0.1
59.01248	100.0
60.01581	1.0
61.98705	2.7
71.01254	0.8
72.99210	0.2
73.02815	0.4
78.95788	0.2
79.18233	0.1
83.04948	0.2
84.98706	0.1
85.02830	0.5
89.02344	0.3
93.03371	0.2
96.95919	0.2
98.20564	0.4
101.02347	0.5
108.02076	0.9
109.02869	0.8
113.02377	0.2
119.04907	0.2
123.00857	0.2
123.04408	0.4
125.02371	0.5
135.04425	0.2
137.02434	0.2
145.02826	0.2
151.00322	0.2
152.01109	0.8
153.01852	0.5
153.05537	0.3
161.02454	0.2
161.04443	0.2
167.03427	0.5
169.01395	0.2
175.03899	0.7
187.03902	0.1
189.01900	0.3
190.02507	0.1
191.03564	0.2
197.08157	0.2
217.01428	0.3
218.02087	0.2
238.35339	0.2
255.19687	0.2
265.10388	0.2
307.39661	0.1
329.04956	0.2
338.93460	0.2
357.22562	0.2
358.04947	0.2
386.04645	0.4
387.04788	0.2
387.18231	0.8
414.51251	0.1
417.25000	0.3
549.10510	0.3
549.22577	1.8
549.30042	0.7
549.38391	0.8
550.23914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03325	3.1
58.00468	0.8
59.01247	49.6
60.01590	0.6
61.98706	5.7
62.31348	0.6
69.03319	1.0
69.40917	2.6
69.41333	1.6
71.01250	21.5
71.04861	0.5
72.01613	0.8
72.99171	2.0
73.02820	8.4
74.99010	0.5
75.00752	2.6
81.03336	0.8
83.01252	2.8
83.04874	1.2
85.02814	7.5
87.00749	2.3
87.04380	2.1
88.98668	0.7
89.02313	20.4
93.03348	0.5
95.01259	2.3
95.04881	0.6
96.95884	9.4
97.02808	1.0
97.06433	1.1
98.58801	0.6
99.00761	2.1
99.04390	3.7
99.92390	0.8
101.02316	13.7
102.02610	0.7
103.03883	0.5
107.04897	0.7
107.92417	0.6
108.02059	1.3
109.02831	2.1
109.06455	1.5
111.00758	1.7
113.02324	8.6
116.92731	4.2
117.03316	0.7
117.05434	1.1
119.03400	7.4
119.04881	1.3
120.99546	0.8
121.02818	0.8
121.06468	1.7
122.03626	0.8
123.00757	0.9
123.04408	0.8
125.02334	14.2
126.02598	0.7
129.01791	0.6
131.03395	1.1
133.02821	4.5
133.06467	0.7
134.03568	0.9
135.02863	0.8
135.04410	5.7
135.06517	8.0
137.02313	1.5
137.05927	1.4
143.03374	1.5
145.02933	1.1
149.02287	1.6
149.04475	1.4
149.06056	0.6
151.00266	0.7
151.03873	1.1
152.01036	2.5
153.01810	0.8
161.02348	16.9
161.04376	3.7
161.05797	0.8
162.02722	1.5
163.00255	0.7
163.03922	3.1
165.01837	0.7
165.12750	2.6
166.02563	0.8
167.03548	0.6
169.01280	1.5
173.04549	0.6
175.00301	1.7
175.03914	2.0
176.00986	0.6
177.01886	1.2
177.05583	0.9
179.03452	3.2
179.05522	2.3
180.04187	4.5
181.05014	5.1
183.10193	0.6
187.11176	0.8
189.12752	2.3
190.02634	4.5
191.03175	1.0
191.10751	1.0
193.04977	0.7
205.04974	4.4
207.13821	12.6
207.15634	1.1
208.14082	0.9
209.11766	10.2
221.04454	1.1
223.06046	1.2
225.03967	1.9
225.11351	0.9
225.15056	0.7
233.11771	1.3
234.01576	1.0
246.22272	0.6
251.12906	2.7
269.13879	2.2
269.17535	3.5
270.14392	0.5
278.02374	0.6
279.10822	2.1
287.07782	1.2
297.08481	1.1
297.11859	14.0
298.11990	0.8
324.02701	3.4
325.03568	2.0
343.09314	0.6
367.10162	2.7
369.22729	0.7
387.09360	5.9
387.23822	1.4
388.09177	0.7
417.24811	2.0
449.10858	2.7
450.11295	0.7
487.08609	3.4
505.17175	1.6
531.24506	3.0
549.12286	4.8
549.25372	100.0
550.12982	1.2
550.25812	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	549.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01250	6.2
60.01579	0.2
61.98703	0.9
67.43371	0.2
69.24666	1.7
71.01254	3.8
72.99168	0.4
73.02808	1.0
75.00728	0.4
83.01248	0.4
85.02833	1.6
87.00771	0.4
89.02315	2.6
95.01264	0.3
95.04904	0.3
96.03545	0.2
96.95888	0.3
99.00795	0.4
99.04343	0.2
101.02315	2.0
105.03354	0.6
107.04896	0.3
109.02783	0.2
111.04476	0.2
111.28257	0.2
113.02342	1.0
117.03354	1.3
119.03378	0.6
121.02823	0.6
121.03757	0.2
123.04416	0.5
123.26289	0.2
125.02353	0.6
131.03386	0.5
132.02058	1.2
133.02847	30.5
134.03133	1.0
135.02870	0.4
135.04414	9.2
136.04756	0.2
137.02341	0.6
137.09679	0.2
149.02319	0.3
149.05989	0.4
152.01039	0.2
160.01535	0.4
161.02348	100.0
162.02693	4.8
163.03918	0.5
165.05490	0.2
166.02634	0.3
173.04306	0.2
175.03899	0.4
177.05461	0.6
178.02658	0.4
179.03427	5.8
180.03850	0.3
181.04959	0.7
183.10080	0.2
190.02734	0.3
191.03377	0.3
191.05591	0.3
193.04921	0.2
195.13914	0.2
205.04961	0.2
207.13782	0.3
209.11826	0.2
211.06065	0.7
220.56938	0.2
221.04428	0.5
225.11136	0.2
225.14943	0.3
227.12932	0.2
251.05571	0.3
262.37842	0.2
269.13794	0.4
269.17557	0.3
281.06696	0.5
291.42068	0.2
297.11920	0.4
323.07550	0.3
386.66669	0.2
387.14841	0.3
417.24472	0.2
549.23334	72.1
550.23663	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	549.2343
Annotation	pseudolaric acid A O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03329	1.1
59.01251	10.7
59.01538	0.6
61.98701	6.8
69.03338	0.7
71.01250	4.6
71.01548	0.4
71.97887	0.4
72.99200	1.0
73.02811	1.9
75.00770	0.8
80.47080	0.4
83.01254	0.9
83.04939	0.5
85.02823	2.7
87.00746	4.9
87.01202	0.4
87.04411	0.5
88.00290	1.0
88.98647	0.4
89.02322	2.6
89.54732	0.4
93.03323	2.8
96.95892	0.8
97.02864	0.8
99.00765	0.7
101.02322	2.7
105.07014	1.5
107.01230	0.5
107.04924	0.4
108.02071	2.0
109.02831	2.0
111.00040	0.4
113.02364	1.2
119.03400	0.6
119.04931	1.0
121.02831	1.1
123.00806	1.0
123.04446	1.4
123.48581	0.4
124.01542	1.9
125.02347	2.7
131.05038	0.5
133.02850	1.9
133.06493	0.9
134.03580	0.5
135.04460	2.4
137.02339	4.3
137.05910	0.4
138.03104	1.0
139.00269	0.5
139.03886	0.6
139.11189	0.5
145.02870	1.0
149.02386	2.0
149.05841	0.5
150.03146	3.4
151.00276	1.3
151.03922	3.1
152.01065	1.3
152.04707	2.2
153.01823	0.6
159.04448	0.7
160.01581	1.1
161.02365	5.8
161.04434	0.9
161.06020	1.6
162.02838	0.4
163.03937	1.5
165.01877	1.5
166.02625	7.9
167.03404	1.5
168.00539	0.7
169.01334	1.1
171.04524	0.5
172.05284	0.6
173.04558	0.4
173.06004	1.3
174.03117	2.1
175.00226	0.5
175.03922	10.0
176.04498	0.8
177.01935	1.0
177.05482	6.9
178.06097	0.9
178.99887	0.5
179.03427	0.8
179.07100	0.8
181.08676	0.4
187.03787	0.6
188.04671	2.9
189.01981	0.7
189.03931	0.4
189.05493	17.4
190.02625	1.1
190.06270	19.5
191.01962	0.7
191.03516	0.8
191.06779	1.2
193.01361	4.8
193.05028	0.4
194.02177	4.1
201.05594	0.5
202.02580	0.4
203.03439	0.4
203.07127	2.3
204.04314	0.5
205.05019	1.8
205.12373	0.5
207.03017	0.8
207.10196	0.5
209.00859	15.6
209.11844	0.4
210.01321	1.0
215.07100	0.6
218.02057	1.1
219.02798	0.6
221.04543	2.4
222.05246	0.4
223.09680	1.1
225.09166	0.5
225.14844	0.5
227.07092	0.8
232.07085	0.4
233.04478	1.3
234.05313	1.8
240.11562	0.5
241.08682	1.1
242.09392	1.8
243.10318	2.3
247.06017	0.8
247.55453	0.4
248.06750	0.6
249.94809	0.5
253.18111	2.8
254.18031	0.4
255.10164	0.5
257.11792	7.1
258.12540	2.3
269.17682	0.5
274.08716	0.6
285.11292	0.6
301.00150	0.5
301.10794	12.7
302.11429	1.8
325.18015	0.8
341.17661	0.5
343.19064	3.1
355.25168	0.4
369.16867	0.7
386.17307	3.0
387.18130	60.4
388.18491	7.4
471.30850	0.4
489.15869	0.6
519.20471	0.5
549.23376	100.0
550.23651	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	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69773	0.2
59.01250	100.0
60.01595	1.2
61.98705	0.7
69.27935	1.9
69.28350	0.6
71.01257	2.2
73.02820	0.7
81.03384	0.2
83.01270	0.5
85.02824	1.2
89.02313	0.7
93.03306	0.3
99.00813	0.2
101.02306	1.7
107.04930	0.6
113.02357	0.8
120.99560	0.3
121.02818	0.4
122.03627	0.4
123.04453	0.8
125.02358	1.2
133.02815	1.2
134.03693	0.2
135.04454	1.1
136.05270	0.3
137.02339	0.4
149.05980	0.6
159.02942	0.3
161.02359	4.7
161.04428	1.9
161.96585	0.2
162.02809	0.3
167.03450	1.3
168.03812	0.7
169.03931	0.4
179.03514	0.7
180.04205	0.8
189.01779	0.3
202.02704	0.3
227.07100	0.6
235.77699	0.2
240.08029	0.3
255.06758	0.3
295.13303	0.4
299.05609	0.3
312.13669	0.4
325.23804	0.3
327.16006	19.9
327.21591	1.2
328.16296	2.1
343.07059	0.3
351.08939	0.5
385.13202	0.4
386.13373	0.2
387.13849	0.7
387.24014	1.7
477.34119	0.4
489.21780	0.9
549.16150	0.5
549.23627	2.2
549.29572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03317	0.4
59.01248	3.7
61.98709	0.2
69.03319	0.2
69.34924	1.1
71.01250	2.4
73.02831	0.7
73.49781	0.1
77.03815	0.2
83.01260	0.3
85.02808	0.9
87.04385	0.1
89.02322	1.2
89.03850	0.2
91.41434	0.1
93.03333	0.1
95.01263	0.2
95.04904	0.2
96.95908	0.2
97.02811	0.2
99.00770	0.2
101.02304	1.2
105.03336	0.7
107.04945	0.2
109.02818	0.1
109.06491	0.2
113.02328	0.7
115.01787	0.1
116.47025	0.1
117.03314	1.1
119.03372	0.3
123.04440	0.2
125.02318	0.2
132.02060	1.5
133.02843	33.8
134.03267	1.4
135.04410	8.8
136.04749	0.5
137.02341	0.4
137.09567	0.2
138.06761	1.1
139.03902	0.2
149.06027	0.2
153.09129	2.1
161.02344	100.0
162.02687	4.7
163.03920	0.4
165.12814	0.2
177.05460	0.3
177.37358	0.1
178.02690	0.1
179.03424	4.8
180.03816	0.3
181.05045	0.2
190.02704	0.2
203.03391	0.1
205.05017	0.3
207.13802	0.4
209.11768	0.3
221.04410	0.2
225.14912	1.0
269.17358	0.2
276.62491	0.1
279.10748	0.2
297.11795	0.5
367.10114	0.1
549.23383	60.4
550.23724	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	549.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33893	0.3
55.01757	0.3
57.03339	0.5
59.01252	5.2
60.10735	0.2
61.98708	1.3
69.17432	0.3
69.17838	2.7
71.01249	3.3
72.99174	0.6
73.02814	1.1
74.80250	0.2
75.00749	0.4
83.01262	0.5
85.02815	1.5
87.00744	0.5
89.02312	2.5
93.03358	0.6
95.01270	0.4
96.95923	0.5
99.00776	0.6
101.02323	3.3
102.01844	0.5
105.03328	0.7
109.02821	0.4
113.02345	1.2
117.03355	1.3
119.03391	0.7
119.04901	0.3
121.02827	0.3
123.04417	0.4
132.02081	1.8
133.02850	32.8
134.03101	1.4
135.04411	8.6
135.06535	0.4
136.04739	0.4
137.02330	1.1
138.06735	0.9
143.03146	0.2
145.02858	0.3
149.02454	0.4
153.09085	1.8
160.01514	0.8
161.02350	100.0
162.02710	4.8
163.03964	0.5
165.01852	0.7
175.03967	0.9
179.03419	4.6
181.05066	0.3
190.02704	0.3
193.05016	0.3
207.13780	0.3
211.04112	0.3
213.05527	0.4
221.04407	0.3
225.14886	1.0
239.03423	0.3
241.09850	0.3
251.03485	0.7
267.02936	0.7
269.04416	0.4
269.17606	1.4
283.06161	0.4
295.02429	0.4
297.12115	2.5
313.03586	0.4
314.04211	0.3
325.11932	0.7
327.05026	0.5
327.08719	0.3
327.21542	0.5
337.09387	0.4
353.11365	1.2
355.04245	0.6
373.07718	0.7
373.76877	0.3
387.07150	3.0
387.23868	1.0
417.24979	0.8
473.15414	0.4
505.44662	0.3
549.23364	65.0
550.23651	11.2
550.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07030	0.8
57.03315	1.9
59.01250	100.0
60.01593	1.2
60.16038	0.9
60.29197	0.9
60.73717	0.8
61.98702	13.8
69.43077	7.1
70.46770	0.9
71.01265	7.3
73.02828	3.3
75.00726	1.0
81.22829	0.9
83.01262	1.8
85.02827	3.4
87.00750	4.6
87.04356	1.2
88.98692	1.1
89.02317	3.7
93.03342	10.9
95.04877	1.1
97.06483	3.1
98.27322	0.9
101.02369	4.6
105.01819	2.0
107.04906	1.5
109.02859	1.1
111.00835	0.9
113.02335	3.3
117.03352	2.6
119.03379	1.5
119.04940	1.1
121.02843	1.6
123.04435	3.5
123.08059	1.5
125.02316	3.3
133.02850	6.0
135.04411	3.9
137.02345	13.9
137.05998	2.7
139.11163	2.1
145.02875	1.6
147.02882	1.7
147.04509	1.0
149.02299	1.2
151.03917	1.3
158.03635	5.1
159.04395	2.9
160.01485	1.0
161.02347	18.9
161.04524	2.6
162.02733	1.8
163.03909	1.9
165.03967	7.6
165.05190	1.4
165.09145	1.1
167.03358	2.6
171.10194	1.1
175.03967	3.7
177.01860	2.1
179.03389	5.5
179.07027	0.9
185.11781	4.8
190.02618	2.2
202.02657	27.2
203.03075	2.7
205.05005	3.2
223.06108	1.3
227.12875	1.8
255.06577	1.5
269.17593	1.1
279.32446	0.9
291.19772	1.4
309.20636	2.6
325.23730	9.7
327.15997	15.8
327.21759	38.7
328.16391	1.4
328.22034	3.7
363.25024	0.9
369.22678	1.6
387.23880	60.1
388.24207	6.0
395.34238	1.0
411.16541	1.2
429.24786	5.0
456.39172	0.9
459.25854	1.2
489.27017	5.6
490.27640	1.1
549.20233	31.3
549.29327	14.7
550.19977	6.3
550.29559	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	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.7
59.01250	7.4
61.98714	2.0
65.00178	1.1
69.59985	1.2
69.60401	1.3
71.01243	1.6
73.02801	1.5
75.00739	0.6
83.01250	1.4
85.02818	0.8
88.98649	1.1
89.02299	1.2
93.03316	1.4
99.00758	0.5
101.02332	1.1
107.01252	2.1
108.02056	0.6
109.02828	0.5
113.02280	0.4
123.08035	0.5
125.02329	1.2
133.02818	1.1
135.04391	1.0
136.01538	0.5
137.02310	1.9
139.11147	0.5
145.02878	0.7
145.06458	1.6
147.04416	0.9
151.00269	5.0
157.02835	0.6
158.03636	14.6
159.04420	8.2
161.02328	3.5
164.01012	0.7
169.01306	0.9
169.06577	0.6
171.04430	4.9
171.10083	0.5
172.05141	0.9
173.02379	0.7
173.05969	0.5
175.00275	0.8
175.03888	1.3
183.04475	0.6
184.05266	0.6
185.06027	1.2
185.11769	0.9
187.07579	0.7
201.01837	0.5
201.05478	1.5
202.02652	100.0
203.03107	6.9
211.07585	2.1
213.05562	4.0
231.06731	0.7
245.04434	0.7
255.06596	45.4
256.06955	4.1
269.08136	0.5
275.05676	1.2
279.06601	3.1
291.19489	0.6
297.07712	1.0
309.89603	0.5
325.23862	1.6
327.21738	6.7
365.08792	1.5
386.73428	0.4
387.23831	11.1
388.24323	1.1
429.25079	1.2
489.26660	0.8
549.19843	75.7
550.20203	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	549.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17878	0.2
57.03326	0.5
59.01251	23.5
61.98705	2.8
70.33305	0.3
71.01257	2.0
73.02825	1.2
75.00716	0.3
85.02814	0.4
89.02312	0.6
93.03342	1.3
99.00791	0.4
101.02328	0.9
109.02849	0.4
113.02340	0.6
121.02760	0.4
123.04415	0.3
125.02380	0.6
131.04883	0.3
133.02829	1.1
135.04402	0.6
137.02353	1.7
139.11208	0.3
143.04951	0.5
145.02876	1.0
147.04431	0.6
157.02913	0.5
158.03642	15.3
159.04422	9.0
160.01689	0.3
160.04778	0.4
161.02382	1.5
161.04399	0.6
167.03386	0.9
171.04433	2.7
173.02379	0.3
173.05963	0.4
175.03941	1.3
177.01831	0.6
183.04446	0.5
184.05280	0.6
185.05978	0.7
185.07501	0.3
185.11746	1.2
190.02644	0.7
201.01907	0.6
201.05644	1.6
202.02650	100.0
203.03149	8.5
205.05080	0.5
213.05540	2.2
231.06601	1.1
240.33281	0.4
245.04623	0.7
255.06590	1.1
275.05734	1.4
309.20798	0.3
325.23871	1.5
327.15958	3.5
327.21744	6.7
328.16321	0.6
328.22125	0.8
341.13815	0.8
365.08722	1.4
387.23911	9.2
388.24188	0.9
429.25040	0.6
489.27048	0.9
549.19757	75.5
550.20135	12.2
550.29346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13781	0.5
57.76566	0.5
59.01257	2.7
69.26962	5.3
71.01255	1.9
72.99184	1.1
73.02821	0.8
75.00755	0.5
79.74648	0.5
83.01241	0.5
85.02823	0.7
87.00745	0.9
89.02304	1.3
89.30776	0.5
99.00761	2.5
101.02299	1.0
101.79257	0.5
111.00762	2.4
113.02328	0.6
115.00216	0.7
122.06002	3.4
124.07690	0.6
133.48312	0.5
135.02840	0.6
144.04504	1.1
146.06003	2.2
147.34485	0.5
158.06094	0.6
159.02910	0.8
160.03972	1.0
161.04665	0.6
162.05515	0.6
172.03911	1.5
173.04752	0.6
174.05531	2.2
175.02428	0.7
176.07011	0.8
188.07079	0.9
190.05008	1.4
199.08749	0.5
202.04977	1.2
203.05716	0.7
204.06604	3.9
216.06552	0.8
218.04477	0.7
231.05280	0.6
232.06134	2.0
237.10399	0.7
239.08406	0.7
239.11742	0.7
241.09868	0.8
248.05554	0.8
253.06078	0.7
253.09689	0.5
253.13428	4.2
254.11774	1.0
255.11287	0.9
261.06729	0.6
262.07010	0.6
263.07928	0.7
265.06186	0.7
267.07724	1.8
267.11423	0.9
268.08484	1.2
269.09418	0.8
269.12958	1.6
279.07947	0.6
279.11493	0.7
280.08582	0.8
281.09283	2.0
281.12509	0.8
282.09952	0.8
283.10889	2.2
285.12497	0.7
293.09406	0.8
294.09824	0.9
295.10828	3.5
295.14117	1.1
296.11624	1.2
297.12445	17.2
298.12729	1.4
309.12350	3.7
311.13910	0.9
323.10275	2.8
325.11972	10.6
326.12201	1.3
329.15204	0.8
335.10373	0.8
337.11951	1.9
339.13464	5.2
341.11194	1.0
351.09885	1.1
353.11453	7.8
354.11548	0.8
355.12982	11.9
356.13287	1.5
363.13525	0.7
367.13049	0.9
369.10797	3.5
377.11569	1.5
381.10663	1.1
381.14841	0.7
383.12421	1.2
393.14624	1.3
397.10345	4.3
399.11926	3.7
401.13489	3.8
413.13538	0.8
415.15048	3.1
429.12988	5.5
431.14606	7.0
432.14719	0.7
443.14517	0.8
447.14032	1.8
459.14581	1.0
469.16086	1.0
487.17184	1.6
488.17722	0.7
505.18152	1.0
513.14996	1.0
517.14551	3.7
518.15100	0.6
521.18054	1.2
531.16187	1.1
549.17261	100.0
550.17572	16.5
550.24933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03316	1.4
58.00460	0.7
59.01249	37.7
60.01585	0.8
61.98709	3.0
69.03327	0.8
69.73227	2.8
71.01258	10.9
72.99173	1.3
73.02826	4.3
75.00748	1.7
81.03319	1.2
83.01263	3.1
83.04898	0.7
85.02824	3.5
87.00755	1.1
87.04374	1.3
87.96020	0.7
89.02319	6.1
93.03352	1.6
95.01270	1.6
95.04911	1.4
96.95883	2.5
99.00765	1.0
99.04401	1.6
101.02323	6.6
107.04930	1.1
108.02068	1.1
109.02839	9.2
109.06471	5.1
113.02321	3.4
117.03364	1.0
117.05460	4.0
117.06144	0.6
119.01262	1.9
119.03415	1.9
119.04913	5.4
121.02848	10.5
122.03607	1.4
123.04450	0.6
125.02309	1.2
131.03398	0.8
133.02861	8.7
134.03647	0.6
135.02853	1.8
135.04420	12.1
135.06549	1.4
137.02344	1.1
137.05986	38.3
138.06323	1.8
143.03468	0.7
145.02864	0.8
147.00784	1.8
149.02345	6.0
149.04457	1.1
151.03839	0.7
152.01004	0.7
161.02347	27.3
161.04425	1.0
162.02742	1.8
163.03926	1.2
164.04732	6.8
165.01822	1.1
165.12782	1.4
166.06264	4.3
175.00298	13.7
175.03917	1.8
176.00975	2.5
177.01860	1.1
177.05487	0.8
178.76881	0.7
179.03369	3.0
179.05547	0.9
179.07083	1.7
180.03748	0.9
181.04984	100.0
181.08505	2.2
182.05345	5.3
190.02643	39.3
191.03233	4.5
191.05498	0.7
195.06400	0.8
205.05005	53.1
205.73376	0.6
206.05328	3.3
207.13866	2.7
208.03734	1.1
209.04353	1.4
209.11798	5.1
215.61589	0.6
217.01405	1.0
221.04488	0.7
223.06075	9.2
225.14871	1.4
227.12886	1.2
247.06145	0.8
251.05653	0.8
251.12877	1.0
269.13950	6.0
269.17078	1.3
270.14319	0.7
279.10623	1.7
282.06952	0.8
287.15240	0.8
291.40173	0.7
297.11893	2.5
298.11856	0.7
324.02835	1.1
325.09576	0.8
339.13022	0.7
343.10336	27.8
344.10556	2.8
353.08823	2.5
367.10324	44.6
368.10699	4.9
369.22830	1.6
387.23819	1.1
417.25125	1.7
431.19269	2.3
456.64194	0.6
531.24677	1.2
549.16248	5.9
549.24146	24.0
550.24182	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	548.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	21.2
60.01579	0.7
61.98698	100.0
69.78246	0.7
69.78660	0.8
71.01261	0.9
72.47072	0.2
85.02863	0.2
88.98689	0.4
89.02309	0.6
91.56449	0.3
100.24453	0.2
101.02371	0.6
101.17402	0.2
109.02895	0.3
115.73761	0.3
133.02856	0.4
135.04463	0.4
153.01793	0.3
161.02399	0.4
179.03389	0.3
189.01938	0.9
190.26982	0.3
242.99454	0.5
248.68034	0.2
270.98962	1.1
297.00491	0.5
298.98349	0.7
299.99155	1.1
323.98837	0.4
433.02057	0.3
513.27167	0.5
548.22815	0.5
549.06781	3.9
549.24249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41779	2.2
59.01253	10.9
60.47274	2.2
61.98701	100.0
70.26583	8.3
122.65315	2.0
179.85083	2.6
273.81592	2.4
549.25482	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	549.0887
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.60006	1.5
59.01252	10.1
61.98685	3.4
67.78916	1.7
69.17125	3.2
69.17522	15.0
71.01240	4.4
72.99152	2.1
83.62096	1.3
83.95728	1.4
85.02820	2.1
87.34120	1.5
87.34662	1.5
89.02319	1.9
96.95898	3.9
99.92424	1.9
101.02325	3.9
107.01266	1.9
109.02773	2.3
116.92747	4.0
119.04929	12.9
121.02854	15.1
123.04401	1.6
125.02322	1.8
130.92650	1.4
135.04408	1.9
137.02319	2.5
147.04332	1.5
149.02290	1.9
149.06001	2.1
151.00258	8.7
151.03833	1.8
161.02277	2.5
163.03915	1.9
176.01044	2.9
178.99753	4.7
181.05045	1.9
190.02657	5.1
191.03430	3.1
205.04991	5.4
211.03879	2.0
227.03444	3.3
243.02945	9.9
254.02055	2.1
255.02959	25.2
267.21356	1.8
271.02469	52.7
272.02856	4.3
300.02722	100.0
301.03445	40.3
337.08731	1.8
345.24954	1.7
353.08813	3.8
367.10028	4.2
463.08795	8.6
489.14725	2.5
505.09866	70.7
506.10135	9.6
549.15485	6.5
549.29095	1.8
558.75452	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	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20565	0.2
59.01248	100.0
60.01580	1.1
66.68846	0.2
70.78426	0.5
70.78787	0.4
70.91045	0.3
70.96812	0.2
79.39480	0.3
80.52071	0.2
87.92817	0.3
112.09669	0.3
190.46202	0.2
203.26213	0.2
211.23697	0.3
274.21036	0.3
320.76166	0.3
547.36554	3.2
548.36603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01591	1.1
61.98710	1.0
71.38065	0.7
88.92995	0.3
104.22549	0.3
154.59338	0.4
168.32065	0.3
174.03207	0.5
175.03955	1.5
224.03435	0.4
264.28665	0.4
357.00146	0.3
482.17770	0.4
487.34268	5.9
488.34641	0.7
547.30426	0.7
557.75470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86566	0.2
53.36089	0.2
59.01249	100.0
60.01583	1.1
61.98709	1.0
66.95679	0.2
67.73943	0.3
69.92070	0.9
69.92490	0.3
78.28204	0.2
78.95760	0.3
80.32157	0.2
82.68636	0.3
84.20737	0.3
89.77406	0.2
94.51089	0.3
98.20451	0.4
141.07579	0.3
141.37349	0.2
267.27393	0.3
547.30145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.3
59.01248	100.0
60.01581	1.3
61.01676	0.6
61.98700	12.5
67.27789	0.2
68.66823	0.2
69.20889	0.4
69.21284	2.0
71.01241	1.5
72.01612	0.2
73.02823	0.4
75.00735	0.3
76.47100	0.2
78.95787	0.4
85.02853	0.5
85.27757	0.2
96.95962	0.2
101.02348	0.9
108.02100	0.2
109.02872	0.4
113.02320	0.4
125.02343	0.4
127.79987	0.2
128.10603	0.2
137.02327	0.5
150.03189	0.3
161.02377	0.4
161.04514	0.4
163.03845	0.2
165.01875	0.4
168.50267	0.2
173.04582	0.3
175.03960	0.5
189.01842	1.5
190.02489	0.2
217.01453	0.9
246.52252	0.2
280.33633	0.2
284.78918	0.2
311.22418	0.5
327.05179	0.3
339.17590	0.2
487.31833	2.3
488.32828	0.3
529.20587	0.2
547.37085	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	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60909	0.2
55.39470	0.2
57.81528	0.2
59.01249	100.0
59.30308	0.2
60.01591	0.8
64.43981	0.2
70.36740	0.6
70.37095	0.2
74.94395	0.2
78.85717	0.2
197.23808	0.2
255.95366	0.2
286.32651	0.2
378.37207	0.2
388.41757	0.2
547.36401	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	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07328	0.2
59.01250	100.0
60.01590	0.9
61.98703	0.9
65.50758	0.2
70.80179	0.8
73.02837	0.3
78.95796	0.3
81.27975	0.2
85.02803	0.2
91.21677	0.3
95.10719	0.2
96.95920	0.3
100.59721	0.2
135.04373	0.3
141.90578	0.2
150.16490	0.3
175.03952	0.8
217.01425	0.2
296.98795	0.2
552.23260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.16542	0.2
60.01580	1.2
61.15356	0.2
61.98708	0.3
70.24409	0.8
110.92432	0.2
123.02435	0.2
140.48959	0.2
143.54370	0.2
156.11087	0.2
196.67445	0.2
232.72386	0.2
236.80920	0.3
261.68036	0.2
453.07751	0.2
487.34390	0.3
547.35846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26913	0.5
54.28919	0.5
59.01249	100.0
60.01585	1.3
61.98698	3.0
67.27786	0.4
71.51421	0.9
72.25826	0.5
72.99203	0.7
78.91768	0.8
124.53950	0.6
135.03026	0.6
171.10275	0.6
185.45288	0.6
217.12390	0.5
245.52065	0.5
487.35898	0.6
547.29498	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	547.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
58.00473	0.6
59.01252	100.0
60.01584	1.2
61.98697	1.7
69.03333	0.5
71.01254	10.3
72.99197	0.6
73.02822	3.0
75.00733	1.0
76.33490	0.4
82.47057	0.4
83.01263	1.0
85.02825	3.6
87.00763	1.8
87.04404	0.5
89.02317	7.2
93.03335	0.9
95.01263	1.0
95.04916	0.7
96.95893	5.4
97.02846	0.7
99.00755	1.4
99.04413	0.7
100.36898	0.4
101.02320	6.1
102.02685	0.4
107.04904	1.0
108.02054	0.7
109.02843	2.4
113.02343	4.5
116.51334	0.4
117.05489	2.2
119.03391	2.1
121.02834	1.1
123.04456	0.9
125.02327	1.8
131.03371	0.7
133.02853	6.1
134.03590	1.2
135.04416	29.6
135.06505	2.8
135.57175	0.4
136.04701	1.1
137.02350	0.7
138.06757	1.8
143.03401	0.9
145.02654	0.4
147.04424	0.8
148.05106	0.4
149.02399	0.6
149.05940	0.9
151.03900	0.4
153.09113	5.3
160.01547	0.6
161.02351	14.6
161.04379	2.2
161.09647	2.3
161.13277	1.3
162.02802	0.5
163.03792	0.5
163.11165	0.7
165.05446	1.9
169.01297	0.6
173.04385	0.5
173.71893	0.4
175.03886	1.1
177.05482	2.5
179.03432	23.8
179.05667	1.0
179.10612	0.5
180.03745	1.5
183.10202	0.7
187.11275	2.7
189.09103	1.6
190.02634	1.1
191.05547	0.7
205.05020	1.4
205.12271	1.2
207.10176	1.5
209.04398	2.2
221.04504	4.1
223.13483	0.7
225.14896	9.1
226.15193	0.7
243.02762	0.6
249.11324	1.0
251.05605	4.8
259.06033	0.8
267.12576	0.5
267.15900	1.0
275.05621	0.6
279.10867	0.8
281.06677	8.7
282.07156	0.5
294.05243	0.8
297.08560	0.9
297.11853	5.9
337.09314	1.0
341.08698	6.0
342.09290	0.8
364.67902	0.5
367.10339	2.8
369.19135	8.9
370.19522	1.2
385.09100	1.2
387.20224	2.0
415.23221	2.2
429.21268	12.9
430.21280	1.4
431.17963	0.4
467.17383	0.4
503.15210	0.6
547.23590	15.8
548.24158	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	547.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98696	10.9
65.02065	1.9
71.01251	2.5
75.00739	3.2
78.95804	3.0
84.69220	1.7
95.28527	1.6
96.95911	1.6
109.02795	2.5
135.02773	2.4
173.04398	2.5
206.49640	1.7
244.34221	1.8
353.28461	1.9
391.30139	3.6
409.31009	6.4
411.08322	2.1
415.75809	2.3
453.30075	40.9
454.30405	7.0
456.90048	2.0
473.97699	1.8
487.33405	3.5
533.84332	2.3
547.32782	32.5
548.32623	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	547.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03307	1.2
59.01251	13.8
61.98703	6.5
67.00455	0.4
67.52885	0.4
69.20826	1.6
69.21249	2.6
71.01254	5.7
71.28665	0.4
72.99166	0.6
73.02819	2.2
83.01271	1.2
85.02828	3.4
86.77273	0.4
87.00745	0.7
89.02317	1.9
95.01286	0.9
99.00769	0.7
101.02325	3.8
105.03327	0.9
108.02045	2.3
108.88526	0.4
109.02837	2.8
113.02326	1.6
117.03380	0.8
120.87182	0.4
121.02874	0.6
123.04414	1.7
124.69411	0.4
125.02347	1.1
131.03395	0.9
132.02063	19.2
133.02888	3.7
134.03625	17.0
135.04358	1.6
137.02316	1.6
145.02800	0.4
147.04419	0.9
149.04498	0.5
149.05995	2.5
151.00304	0.5
151.03738	0.5
152.01099	2.2
153.01811	1.0
153.05499	1.5
154.73615	0.4
160.01567	90.0
161.01927	5.0
162.02985	0.5
166.02548	0.8
169.01369	0.9
174.03116	0.8
175.03920	100.0
176.04242	5.3
177.01851	2.0
177.05521	0.6
178.02583	0.8
179.03429	1.2
189.01843	3.4
190.02728	0.5
193.04999	13.8
209.15498	0.6
217.01369	6.8
217.04872	0.4
218.02084	1.1
219.02863	0.7
246.96358	0.4
253.18195	0.4
267.15839	0.4
288.06329	0.5
302.43854	0.5
326.04111	0.4
327.04987	3.0
340.13040	0.9
341.06723	1.0
355.11911	0.4
355.15402	2.5
355.21219	1.0
385.12967	1.0
385.25900	0.6
437.12732	0.6
449.08844	0.9
532.23248	0.4
533.23474	0.4
547.25555	86.9
548.25946	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	547.2545
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
50.84113	0.4
50.84795	0.4
54.71354	0.4
57.03312	1.0
59.01247	34.3
60.01587	0.6
61.98701	1.2
63.22175	0.4
65.77364	0.4
69.17751	4.8
70.61578	0.5
71.01257	4.7
73.02808	1.4
83.01267	0.8
85.02821	3.1
88.65132	0.4
89.02309	0.6
90.20312	0.4
90.74451	0.5
95.01278	0.5
99.00793	0.7
101.02328	2.0
105.03349	1.0
113.02343	2.0
117.03343	0.9
121.02827	0.4
132.02068	21.1
133.02892	4.0
134.03627	19.7
135.04372	0.8
137.02354	1.1
147.04483	0.4
149.05966	2.4
160.01563	100.0
161.01886	4.4
161.04454	0.8
175.03917	97.3
176.04236	5.1
177.01904	0.9
178.02602	0.9
179.03394	1.5
193.04987	15.1
194.05333	0.6
224.42128	0.5
315.27716	0.5
325.14438	5.6
326.14853	0.7
532.23444	1.4
533.22955	0.5
547.25452	89.8
548.25775	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	547.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53852	0.5
57.03328	0.7
58.00466	0.6
59.01247	21.6
61.98683	0.9
69.35941	3.9
71.01252	10.7
72.99177	1.1
73.02824	3.3
75.00774	0.6
83.01269	0.8
83.43207	0.5
85.02819	2.2
87.00750	0.5
89.02314	7.5
93.03329	0.9
95.01251	0.6
99.00779	1.4
101.02319	6.1
107.04896	0.6
109.02864	2.4
113.02332	3.1
116.34093	0.5
116.39323	0.5
117.05499	1.0
119.03410	1.8
119.04934	1.0
121.02838	0.7
122.03540	0.5
123.04414	0.8
125.02311	1.2
131.03378	0.7
132.02058	1.7
133.02843	21.1
134.03677	4.6
135.04410	73.4
135.06555	1.9
136.04768	3.1
137.02347	3.3
143.03433	0.5
147.04366	0.6
148.05196	2.0
149.04684	0.7
149.05989	12.1
150.06281	0.9
151.03845	0.5
159.04375	0.9
160.01555	2.8
161.02347	85.4
161.09644	1.0
162.02696	4.1
163.03879	1.7
167.01276	0.5
173.04488	1.8
174.03172	0.6
175.03917	4.7
177.04121	1.1
177.05479	29.7
178.02705	1.2
178.05965	1.7
179.03415	100.0
180.03703	4.5
180.04834	0.4
187.11171	1.2
189.09142	1.0
190.02721	0.6
191.03416	0.5
191.05537	0.6
193.04997	1.7
193.08632	0.5
194.05801	1.2
203.03453	2.6
205.04881	1.0
205.12291	0.6
207.06519	0.6
207.10121	1.0
209.08089	1.3
211.00262	0.6
221.04494	49.6
222.04831	2.4
223.13237	0.7
225.05130	0.5
225.14995	0.7
227.12904	1.4
233.04445	1.4
251.05568	54.0
252.05873	4.2
253.04210	0.9
262.04837	3.3
267.15955	1.4
269.13928	0.6
279.10782	0.8
281.06650	83.3
282.06943	6.6
287.15005	1.1
289.05164	1.2
297.12024	2.5
305.04694	0.6
306.05124	0.9
307.06097	2.0
311.07819	0.6
323.07751	3.0
337.09396	3.9
339.12988	0.6
341.08749	38.9
342.09189	3.4
379.16232	0.6
547.24139	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	547.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53578	0.5
57.03325	1.7
58.00473	1.0
59.01249	23.2
61.98700	1.9
69.98846	1.9
71.01253	11.9
72.99175	1.4
73.02827	3.7
75.00760	1.1
83.01282	1.5
83.04908	0.5
85.02838	3.8
87.00752	2.5
89.02317	8.7
93.03339	1.7
95.01262	0.8
96.95905	1.0
97.02830	1.3
98.19971	1.0
98.20500	0.7
99.00753	2.1
99.04319	0.6
101.02329	7.6
105.03320	0.6
107.04940	0.8
108.02023	0.7
109.02829	2.6
113.02334	4.4
117.03329	1.1
117.05429	0.7
119.03394	1.7
119.04909	1.2
121.02863	1.7
123.76228	0.6
125.02340	1.6
131.03383	0.6
132.02072	1.8
133.02849	25.8
134.03664	6.2
135.04414	78.3
135.06569	2.1
136.04779	3.4
137.02356	3.7
139.03912	0.7
147.04420	0.8
148.05231	2.8
149.04665	0.8
149.05983	15.3
150.03162	0.8
152.64650	0.5
160.01575	3.7
161.02353	87.4
161.09630	1.6
161.13185	0.8
162.02739	4.2
163.03886	2.2
165.01880	0.6
165.05441	0.6
173.04454	2.0
175.02390	0.7
175.03918	6.4
176.04668	1.1
177.04080	1.3
177.05482	28.4
178.02658	2.0
178.05923	1.7
179.03419	100.0
180.03749	4.6
183.10312	0.5
187.11247	1.8
189.05531	1.3
189.09178	1.4
190.02556	0.7
191.05504	0.5
193.05011	1.0
194.05792	1.8
203.03421	2.4
205.05037	1.0
205.12416	1.1
207.10292	0.7
209.08170	1.5
221.04506	45.3
222.04848	2.8
223.13293	0.6
227.12851	1.1
233.04466	1.4
249.11232	0.7
251.05588	53.1
252.05960	2.9
253.04633	0.6
262.04877	1.9
267.16000	0.8
279.10922	1.8
281.06662	79.7
282.06982	5.5
287.15067	1.2
289.04990	1.1
295.06046	0.6
297.11868	3.5
305.04175	0.6
306.05286	0.7
307.06027	1.6
311.07819	0.8
323.07605	2.9
333.04141	0.6
337.09235	4.9
339.13226	0.6
341.08746	36.9
342.09122	4.2
434.96707	0.5
449.20218	0.6
529.23724	0.7
547.23956	8.9
548.24359	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.1
57.03324	0.4
59.01249	100.0
60.01581	1.1
61.98701	2.5
64.41397	0.1
69.03319	0.2
69.79677	0.1
71.01248	2.3
71.01619	0.2
71.04922	0.1
71.51926	0.1
71.52279	0.1
73.02831	0.6
75.00746	0.1
76.75267	0.1
81.03342	0.2
83.01261	0.4
85.02822	1.1
87.00768	0.2
89.02330	0.8
93.03348	0.5
95.01256	0.3
96.95864	0.1
97.02814	0.1
99.00727	0.4
101.02332	1.4
104.14484	0.1
107.04911	0.3
108.02060	1.3
109.02849	1.0
113.02330	0.9
119.03387	0.2
119.04932	0.2
121.02825	1.2
121.06502	0.1
121.70020	0.1
122.03654	0.1
123.00739	0.2
123.04377	0.5
125.02377	0.6
131.03406	0.2
131.04935	0.2
133.02873	0.2
134.03627	0.4
135.02887	0.1
135.04440	0.7
137.02361	0.2
145.02826	0.1
147.04469	0.1
148.05109	0.1
149.02394	0.1
149.04417	0.2
149.05957	0.2
150.03116	0.1
151.00255	0.1
152.01044	1.2
153.01819	0.4
155.39941	0.1
159.02913	0.2
159.04410	0.1
160.01534	0.2
161.02292	0.3
161.04475	1.8
162.03091	0.3
163.03944	0.2
164.04700	0.7
165.01842	0.1
167.03387	0.3
169.01437	0.1
175.00346	0.1
175.03902	0.9
176.04297	0.1
177.01849	0.8
179.03513	0.2
179.06992	0.6
179.10678	0.1
189.01860	1.2
189.05524	0.1
190.02617	0.3
191.03392	0.2
191.05518	0.1
191.10730	0.2
193.12222	0.1
195.08151	0.1
203.10646	0.1
205.04997	0.3
209.06056	0.1
209.19087	0.1
211.07669	0.2
212.04776	0.1
216.00513	0.2
217.01340	1.2
219.03026	0.1
221.11697	0.1
222.06841	0.3
223.17018	0.3
224.04706	0.1
225.05511	0.4
227.07137	0.3
231.03006	0.1
239.07065	0.5
240.07808	0.8
253.08780	0.2
253.17986	0.6
254.09398	0.4
265.12277	0.3
267.16248	0.1
269.11829	0.4
281.15323	0.1
282.12534	0.3
288.06403	0.2
293.08841	0.2
293.11826	0.6
297.14981	0.2
309.11273	0.1
310.12018	0.4
315.07288	0.3
325.14435	22.0
326.10910	0.1
326.14764	2.5
327.05020	0.4
341.06662	0.6
342.06854	0.1
367.10236	0.3
385.13004	0.4
385.21713	0.1
386.44675	0.1
415.23221	0.4
419.11142	0.1
437.12344	0.5
449.08841	0.1
503.19266	0.8
503.29892	0.1
504.19705	0.1
547.21130	0.3
547.28375	1.4
548.28021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.5
57.03334	0.6
58.00477	0.9
59.01249	21.4
60.01572	0.4
61.98723	0.7
65.00220	0.7
70.91277	1.2
71.01256	11.1
72.99187	0.8
73.02840	1.9
75.00759	0.5
83.00761	0.5
83.01277	1.2
85.02834	4.1
85.98518	0.4
87.00777	1.6
87.04412	1.0
89.02309	7.5
91.01793	1.4
93.03336	1.2
95.01244	0.7
97.02903	0.5
99.00779	0.7
101.02319	6.1
107.04916	1.0
111.00755	5.3
113.02328	3.6
117.03394	0.6
117.05465	0.8
119.01275	6.6
119.03374	3.0
119.04902	0.7
121.02818	2.9
123.04417	0.9
125.02374	0.6
132.02039	0.5
133.02863	3.6
133.06497	0.6
134.03636	1.8
135.04414	10.2
135.06555	0.6
136.04749	0.5
137.02357	1.0
143.04965	0.9
147.00798	5.5
147.04430	1.4
149.02347	18.7
149.06006	1.3
150.03064	1.0
151.00317	0.5
152.01073	1.7
159.04405	0.7
161.02357	12.2
161.04410	1.0
161.05948	1.0
161.09677	1.0
162.03215	1.0
163.03926	3.3
164.04704	17.7
165.01791	2.0
165.05354	0.8
167.03329	0.5
169.04900	0.7
172.08275	0.4
173.00871	0.6
175.00279	35.8
176.00769	1.7
177.01819	1.0
177.05458	2.6
179.03416	7.6
179.05597	0.6
179.07005	3.6
187.11197	1.6
189.01878	1.1
189.09053	0.8
190.02637	90.3
191.01561	0.8
191.03214	5.4
192.04114	0.5
192.53546	0.4
193.05121	0.4
198.49466	0.4
203.03197	0.4
203.07083	0.9
205.05000	100.0
206.05431	6.9
207.02916	0.9
207.06468	0.6
208.03665	1.4
209.04501	2.0
209.11894	0.6
217.01503	0.5
219.02827	0.6
221.04568	3.4
221.08084	4.1
222.05211	0.8
223.06067	41.1
224.06357	2.5
225.14993	0.5
227.12810	1.2
232.03780	0.6
237.07593	1.3
250.04785	1.3
251.05577	4.9
252.05972	0.5
255.39014	0.5
265.07144	16.6
266.07410	1.4
267.15945	0.6
279.10776	0.6
281.03693	0.9
281.06625	9.5
282.07230	0.6
287.15054	0.7
295.08185	2.9
297.11801	2.5
307.08023	0.7
314.00888	0.5
323.07791	0.5
325.09290	3.9
337.09326	0.7
341.08844	4.6
342.08899	0.7
367.10294	1.5
373.12558	0.5
462.14133	0.5
503.25015	0.6
529.22443	0.6
532.15674	1.4
547.17896	82.8
548.10333	0.7
548.18262	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	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.7
57.03591	0.8
57.03682	0.5
59.01254	11.9
59.57929	0.5
61.98701	32.9
69.03313	0.8
71.01267	3.1
72.99219	0.7
73.02812	1.0
75.00764	0.9
81.03333	5.5
83.01257	13.8
87.00738	1.1
89.02311	2.2
90.55438	0.6
93.03355	2.2
95.01261	1.1
95.04906	1.7
97.02877	0.6
99.00723	0.9
101.02335	2.0
107.04882	0.7
108.02074	0.6
109.02837	6.8
113.02335	1.1
115.00315	0.9
115.27578	0.5
119.04889	1.3
121.02858	0.8
123.04403	41.5
124.04754	1.6
125.02332	79.4
126.02679	2.2
133.02856	4.7
135.04424	3.8
137.02341	1.2
145.02867	1.4
147.04424	2.4
149.02316	2.4
151.00267	4.0
151.03899	2.4
159.04451	1.1
161.02365	5.1
161.04462	0.6
161.05914	0.7
163.03903	1.5
165.01799	1.7
166.02615	5.8
167.03406	100.0
168.03740	4.3
169.01331	0.7
175.02522	0.7
175.03931	2.6
175.07576	0.9
176.04726	4.7
177.01851	10.9
179.03441	7.1
187.04083	0.7
187.07608	1.6
189.01849	24.1
190.02589	5.5
191.03438	6.0
192.03659	0.7
193.04950	0.9
193.06560	2.1
201.01927	0.9
203.03383	3.3
205.08672	5.4
216.00565	5.0
217.01344	16.0
218.01971	2.1
219.02913	7.4
229.01292	0.9
231.02946	3.9
233.04492	0.8
241.08568	1.6
251.16582	1.2
259.09766	2.1
288.06396	2.2
297.11432	1.7
299.12823	0.7
315.05023	3.1
321.07535	1.5
322.08038	3.4
323.12891	1.5
325.14618	1.3
325.20123	1.0
341.06619	53.2
342.06992	5.3
367.11978	5.0
373.20801	0.6
385.12903	72.6
386.13269	9.4
419.11322	4.3
428.11346	1.3
436.39648	0.7
437.12448	1.2
453.10892	1.2
471.11935	2.3
503.09598	0.7
503.30603	1.0
515.10895	1.2
547.15155	1.7
547.21710	2.6
547.28918	4.8
548.22247	1.6
554.28577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03995	0.3
58.00470	0.3
59.01252	7.1
61.98690	1.5
69.37408	0.3
71.01247	2.7
73.02827	1.4
82.95299	0.3
83.02362	0.3
84.94991	0.9
85.02824	1.5
86.02352	0.6
87.00751	0.3
89.02316	2.7
93.03362	0.3
95.04913	1.0
97.06512	0.3
99.00781	0.4
101.02334	1.9
109.02847	1.1
113.02332	0.8
113.47126	0.3
119.03406	0.5
121.02825	0.4
123.04404	0.9
125.02331	1.1
133.02863	0.4
135.04410	0.9
137.09651	0.3
143.03365	0.3
143.04964	0.4
143.32275	0.2
145.02856	1.9
147.04414	1.0
149.70897	0.3
151.06015	0.9
157.02823	0.5
158.03636	17.0
159.04422	9.3
160.04767	0.4
161.02342	0.9
161.04483	0.4
165.01840	0.3
167.03409	0.4
169.01317	0.4
171.04442	2.3
172.05077	0.3
173.02328	0.8
173.05951	0.5
174.01656	0.3
174.03143	0.6
175.03865	2.2
177.01866	0.9
177.46794	0.3
179.05516	0.4
181.08536	0.6
183.04416	0.8
184.05247	0.5
185.06105	0.7
187.03792	0.4
189.01929	1.8
190.02621	0.6
195.04381	0.4
201.01843	0.8
201.05525	2.3
202.02647	100.0
203.03130	7.9
205.08749	0.3
213.05513	2.8
215.03491	0.5
217.01396	1.5
219.02924	0.9
225.05424	0.3
227.03481	0.4
231.06607	1.2
243.06808	0.3
245.04448	1.0
251.16656	2.0
253.17975	0.4
275.05521	2.1
293.17532	0.3
295.10489	0.4
299.05634	0.5
313.11407	2.1
315.05042	0.6
341.06744	0.9
357.04037	0.4
365.08698	2.4
415.23367	0.6
419.11322	0.5
437.12503	0.8
459.10782	0.4
487.32495	0.7
502.22116	0.3
547.18195	67.8
548.18518	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	547.167
Annotation	Sibiricose A1
Peak:m/z	Relative Intensity
52.44502	0.3
58.00475	0.4
59.01249	10.2
61.98695	0.9
63.79190	0.3
70.61801	0.3
70.78155	0.4
71.00848	0.5
71.01247	8.9
72.99168	0.5
73.02812	0.4
83.01263	0.8
85.02808	1.7
87.00748	1.4
89.01755	0.6
89.02312	9.7
91.01778	1.1
93.03334	0.5
95.01248	0.9
98.17522	0.3
98.26524	0.3
99.00746	0.3
101.02328	4.1
109.02810	0.5
113.02328	3.8
119.01272	3.5
119.03391	3.2
121.02821	0.7
123.00769	0.6
125.02340	0.7
131.03426	0.7
134.03658	0.4
141.01808	0.4
143.03403	0.8
147.00786	2.4
147.04428	0.4
149.02342	3.7
160.63197	0.3
161.02341	0.8
161.04491	1.1
162.03136	0.4
163.03928	0.5
164.04695	4.3
165.01837	1.5
165.05237	0.4
169.01349	0.6
169.56744	0.3
174.03117	0.5
175.00278	20.1
175.03896	4.1
176.00581	1.3
177.01845	0.3
179.03433	0.4
179.03972	0.4
179.05524	3.1
179.06998	0.7
189.01869	0.7
190.02632	55.4
191.02992	3.2
193.04984	8.2
203.03467	0.5
205.04991	100.0
206.02281	0.4
206.05344	5.8
208.03545	0.3
223.06062	12.5
224.06349	0.5
229.01303	0.6
265.07169	0.8
275.02081	0.5
275.79282	0.3
295.08084	0.4
300.99841	0.7
325.09299	0.5
338.18707	0.4
341.10855	6.0
367.10330	3.3
391.03149	0.4
451.25491	0.4
495.56046	0.4
545.38513	0.4
547.16650	15.5
548.16876	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	546.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01249	5.8
61.98699	100.0
62.98395	0.3
69.23099	0.8
69.23524	1.0
71.01252	2.2
72.99185	0.4
73.02809	0.9
75.00717	0.3
78.49342	0.2
83.01273	0.4
85.02826	0.9
87.00745	0.9
87.04353	0.2
89.02318	2.0
93.03323	0.5
95.04906	0.4
96.95911	0.5
97.02853	0.3
97.06458	0.2
98.02377	0.2
99.00755	0.4
99.04404	0.3
101.02321	1.3
108.02040	0.3
109.02838	1.1
111.04400	0.2
113.02334	0.9
113.43788	0.2
115.00291	0.2
115.03926	0.2
119.03410	0.4
119.04915	0.5
119.48379	0.2
121.02870	0.2
123.04423	0.6
125.02350	0.9
131.03418	0.3
133.02864	0.7
133.04942	0.4
135.04414	0.8
137.02379	0.4
145.02882	0.5
147.04424	0.2
149.04416	0.4
150.03172	0.2
151.00214	0.3
151.03986	0.3
159.04448	0.3
161.02376	1.2
161.04533	0.5
163.03912	0.9
167.03429	0.3
173.02414	0.7
173.04501	0.3
174.01727	0.2
174.03172	0.7
175.03891	2.9
176.04391	0.7
177.01755	1.1
179.03479	0.6
179.05519	0.5
187.04005	0.6
189.01851	2.7
190.02661	0.5
190.99757	0.2
191.03456	0.5
191.05531	0.3
201.01892	0.7
203.03392	0.3
205.83174	0.2
209.11757	0.2
217.01387	1.5
219.02956	0.8
223.05904	0.3
231.02972	0.4
279.06635	0.5
293.08353	0.4
300.99826	0.3
321.07669	11.7
322.08139	1.3
325.20270	0.3
341.06595	3.4
385.22369	0.5
428.11267	0.4
437.12357	0.2
471.11832	0.3
503.30365	1.3
546.27594	0.4
547.28540	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	547.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
55.53972	0.5
57.03317	1.0
58.00445	0.5
59.01250	14.7
62.71247	0.5
67.01747	0.6
69.38131	4.4
71.01250	17.9
71.13389	0.4
72.99172	2.5
73.02817	2.1
75.00748	0.6
83.01248	5.8
85.02820	2.4
87.00745	30.7
89.02307	2.0
95.01250	0.7
96.95878	1.7
99.00750	2.2
101.02312	0.9
103.98828	0.6
111.00759	8.3
112.98676	1.1
113.02327	2.2
115.00254	56.2
116.00610	1.3
122.05959	0.6
125.98207	0.5
127.00265	1.9
131.03413	0.7
139.00266	14.7
149.04495	0.9
149.07256	0.6
157.01331	27.2
158.01724	1.2
175.02391	100.0
176.02751	2.3
191.05511	1.0
222.60242	0.5
224.66496	0.6
250.07317	0.5
251.07863	0.5
253.09775	0.7
265.06976	0.9
266.06952	0.7
267.11389	1.1
273.22012	0.5
280.08496	2.8
281.09149	0.8
295.10864	8.6
296.11328	0.8
297.12524	0.9
301.00055	0.6
309.12524	1.2
323.10336	0.9
325.12000	2.0
327.13513	4.2
335.10349	0.9
339.09897	3.4
353.11380	2.2
355.13022	0.8
371.12439	10.8
372.12802	1.2
391.13144	1.7
397.10391	1.5
399.11789	1.0
401.13388	1.6
409.14496	0.6
417.11017	0.8
429.13031	4.9
430.13562	0.9
431.14493	1.5
432.14935	0.6
435.12122	1.5
443.14731	0.6
467.14655	6.8
468.14984	1.0
485.15546	7.7
486.16013	1.0
487.13263	3.1
499.13599	0.9
511.13239	1.2
525.17548	0.6
529.14569	0.8
547.15863	3.0
548.15906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.3
59.01252	9.0
61.98700	20.1
65.00182	0.4
68.99659	0.5
71.01253	5.0
71.04852	0.5
71.51807	0.5
72.99157	0.9
73.02814	2.2
75.00720	1.1
78.17232	0.4
81.03313	3.5
83.01252	7.9
83.04911	0.4
85.02826	2.0
87.00753	1.3
87.96603	0.4
89.02316	3.9
93.03327	1.5
95.01273	0.5
95.04886	0.9
96.95868	0.6
97.02785	0.6
97.06385	0.5
99.00728	0.7
99.04379	0.6
101.02318	3.5
107.01250	0.6
108.02066	0.8
109.02833	11.6
110.06749	0.5
111.00755	0.5
113.02285	1.2
117.03304	1.2
119.03394	1.0
119.04889	1.3
121.02838	1.2
122.03620	0.8
123.00728	1.2
123.04406	27.2
124.04727	1.3
125.02335	42.7
126.02658	1.5
127.07551	0.4
131.03383	0.7
133.02861	5.0
134.03630	0.7
135.04405	3.1
137.02336	1.5
139.03873	0.7
143.03354	0.6
145.02805	1.7
146.03598	0.6
147.04408	3.6
149.02332	1.9
149.04443	1.0
149.05916	0.6
150.03136	0.9
151.00299	2.6
151.03914	5.6
159.04396	1.5
161.02347	6.9
161.04478	1.3
161.05893	1.0
163.03915	1.1
163.07585	0.4
165.01843	2.1
166.02617	2.8
167.03406	51.6
168.03766	2.4
169.01357	0.8
173.02324	0.6
173.04396	0.6
175.00349	0.7
175.03908	4.3
175.07465	0.8
176.01108	1.0
176.04674	6.0
177.01851	20.9
178.02159	0.9
179.03416	4.8
179.05696	0.5
187.03893	1.4
187.07552	1.0
189.01855	45.9
190.02623	10.0
191.03404	9.5
191.05309	0.5
192.03806	0.6
193.04959	0.4
193.06531	4.5
194.08293	0.5
201.01909	0.8
203.03430	5.8
205.08629	4.9
206.08986	0.6
209.11833	0.4
215.33934	0.4
216.00591	6.4
217.01364	27.7
218.01869	3.4
219.02928	11.1
220.03271	0.7
223.17012	0.5
229.08696	0.4
231.02968	8.7
232.03778	1.0
233.04483	1.0
241.08612	1.1
251.05414	0.5
251.16556	2.1
255.02885	0.5
259.09683	1.2
288.06320	0.7
295.10303	0.5
297.11459	0.9
313.11337	0.8
315.05029	2.5
321.07611	0.5
322.08041	2.0
323.05573	1.9
323.12939	0.7
341.06628	100.0
342.03137	0.8
342.06982	8.9
367.11777	2.6
373.25980	0.5
385.12903	32.0
385.22229	2.0
386.13306	3.4
419.10974	0.5
428.11346	0.8
437.12390	1.0
453.10809	0.5
471.11813	1.4
503.30237	2.7
515.11047	0.6
547.14899	3.5
547.28790	4.3
548.16364	1.0
548.27911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01252	4.8
61.41070	0.2
61.98702	100.0
71.01257	1.9
71.07153	0.4
71.07490	0.2
72.99169	0.2
73.02814	0.8
75.00793	0.3
85.02840	0.6
87.00762	0.7
89.02318	1.6
89.20798	0.2
93.03336	0.4
95.01275	0.2
96.95909	0.3
96.96850	0.2
99.00751	0.3
101.02329	0.9
105.55296	0.2
109.02845	0.4
111.00870	0.2
113.02341	0.9
119.03414	0.4
119.04928	0.5
121.02852	0.2
123.04391	0.3
124.01552	0.3
125.02352	0.8
131.03387	0.3
133.02867	0.5
135.04460	0.5
135.30991	0.2
137.02357	0.4
143.03432	0.2
145.02896	0.4
149.02371	0.3
149.04395	0.3
150.03036	0.2
151.00270	0.2
159.04436	0.4
161.02357	1.0
161.04510	0.4
163.03883	0.9
165.01862	0.2
167.03516	0.3
169.01323	0.3
173.02359	0.7
173.04527	0.3
174.03165	0.5
175.03941	1.8
176.04314	0.5
177.01886	0.4
179.03432	0.4
179.05576	0.4
181.08685	0.2
187.03981	0.3
189.01897	0.6
190.02652	0.5
191.03409	0.5
191.05594	0.2
193.05139	0.2
201.01871	0.6
203.07019	0.1
205.05055	0.3
217.01460	0.8
219.02951	0.3
228.11765	0.2
249.14996	0.3
251.16400	0.2
279.06735	0.7
293.08408	0.4
313.11392	0.2
321.07660	11.3
322.07974	1.4
341.06555	0.8
385.22418	0.7
415.23563	0.2
419.11139	0.2
437.12589	0.4
503.30023	0.4
545.27179	0.3
546.12976	0.2
546.27216	0.5
547.20917	0.3
547.28143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
58.17839	0.2
59.01250	5.4
61.98701	100.0
71.01263	2.8
71.51910	0.2
72.01599	0.3
72.99190	0.7
73.02826	0.9
75.00748	0.3
78.15414	0.2
79.95631	0.7
83.01265	0.7
83.21803	0.3
85.02811	1.2
87.00745	0.5
89.02325	2.1
93.03364	0.7
95.01270	0.4
96.95888	23.4
97.95860	0.8
98.02390	0.4
98.95483	2.5
98.96190	0.4
99.00762	0.3
99.92445	0.3
101.02328	1.8
108.02065	0.5
109.02872	1.3
113.02329	1.0
115.92012	0.3
119.03384	0.4
119.04930	0.4
120.99553	0.3
121.02848	0.6
123.04424	1.4
125.02340	0.9
131.03441	1.1
133.02885	1.1
134.03654	0.4
135.04395	1.7
137.02348	1.0
139.07463	0.2
145.02879	0.6
147.04420	0.7
149.02364	0.5
149.04477	0.4
149.06006	1.7
150.03156	0.4
150.06319	0.5
151.03966	0.8
152.01088	0.6
161.02368	4.0
161.04411	0.4
162.03062	0.3
163.03940	0.7
165.01920	0.8
167.03474	0.7
174.03195	1.0
174.51060	0.2
175.03920	6.0
176.04539	0.8
177.01854	2.6
179.03481	0.6
189.01852	3.9
190.01144	0.2
190.02620	1.3
190.50595	0.3
191.03555	0.5
191.05608	0.4
193.05110	0.7
205.05161	0.5
205.08708	0.4
209.04601	0.7
210.47621	0.2
216.00647	0.6
217.01357	1.4
219.02867	0.6
231.02977	0.4
242.02245	0.3
243.02985	0.3
251.16534	1.3
256.52069	0.3
271.02338	0.4
281.04630	0.8
297.07672	0.4
299.02029	0.3
300.99857	0.4
313.03558	0.4
313.11502	0.4
314.04474	0.3
315.04987	1.4
341.06622	5.9
395.11594	1.1
396.96719	0.4
415.24069	0.3
448.09784	0.3
545.26544	1.0
546.26086	2.6
547.02032	0.8
547.14783	0.5
547.21936	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	545.3483
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
51.39735	0.3
56.69089	0.3
57.03320	0.9
59.01249	77.8
60.01595	0.8
61.98700	0.7
71.01260	1.3
73.02821	3.8
87.00686	0.3
91.70515	0.3
101.02325	0.4
104.98962	0.3
113.02361	0.4
179.26183	0.3
190.37283	0.3
197.11679	0.4
199.02377	0.3
218.05351	0.3
225.55438	0.3
253.09375	0.7
309.20792	1.2
357.25662	0.5
373.28973	1.4
375.26678	0.4
421.31210	0.5
439.32132	5.3
440.32532	0.7
485.32706	100.0
486.33011	17.6
545.35077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
58.86813	0.2
59.01249	100.0
60.01582	1.0
61.98706	0.5
67.46147	0.2
71.51701	0.3
78.95782	0.3
88.89420	0.2
89.20804	0.2
114.92324	0.2
219.49509	0.2
267.69830	0.2
401.99695	0.2
419.29840	0.4
439.32291	0.5
473.35223	0.2
485.32697	10.8
486.33167	1.8
487.34717	0.3
505.55588	0.2
545.35657	1.8
546.35376	0.3
551.97137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13805	0.4
59.01250	100.0
60.01593	1.4
61.98700	2.6
64.84508	0.5
75.53071	0.5
78.19904	0.5
79.02694	0.4
98.20573	1.5
104.58503	0.6
163.26175	0.5
229.77538	0.5
250.36461	0.5
309.20795	1.1
425.57278	0.5
466.85013	0.5
467.31802	0.9
545.27570	0.5
545.36121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3482
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
52.55962	0.2
54.99261	0.2
55.19413	0.2
59.01251	100.0
60.01586	0.9
61.98702	1.6
65.14137	0.2
71.01271	0.7
71.51720	0.4
73.02836	0.6
78.95785	0.3
80.33896	0.2
83.04910	0.3
85.02862	0.2
88.98666	0.2
96.96798	0.2
101.02364	0.4
111.04498	0.2
112.45464	0.2
113.02314	0.3
118.21841	0.2
119.03431	0.2
152.99542	0.3
173.04527	0.3
186.00380	0.2
237.71475	0.2
267.96500	0.2
309.20834	0.4
310.21548	0.2
337.62183	0.3
407.29666	0.3
485.32748	8.6
486.33047	1.5
545.35785	1.7
546.35901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30660	0.6
59.01249	100.0
60.01588	1.3
61.98699	6.8
72.99188	1.3
98.19849	1.8
110.20655	0.6
120.52745	0.7
146.70872	0.7
166.26964	0.7
168.85843	0.7
332.48178	0.7
374.10193	0.8
453.33722	8.6
454.34070	1.5
473.35397	0.8
485.32755	5.3
486.33350	1.1
517.34460	1.7
545.34900	26.8
546.35480	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	545.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99446	0.5
53.63767	0.6
54.16640	0.5
55.01730	0.6
55.63813	0.6
57.03330	1.2
58.00467	1.9
59.01248	100.0
60.01578	1.3
61.98698	15.1
65.76447	0.6
66.12749	0.6
69.03319	1.0
71.01251	34.2
71.04902	0.7
71.50566	0.6
71.50961	0.6
72.01597	0.5
72.99168	2.7
73.02819	3.7
75.00768	1.2
81.61073	0.6
83.01270	2.2
83.04899	1.0
84.02010	0.6
85.02814	7.3
87.00768	2.3
87.04443	0.6
89.02312	45.7
90.02662	1.0
93.03368	1.3
95.01263	1.8
96.95891	1.8
99.00787	2.1
99.04404	0.9
101.02320	21.5
102.70956	0.6
108.02065	0.7
109.02848	1.7
111.00771	0.7
113.02328	12.1
113.03070	0.9
117.03426	0.8
119.03388	13.1
123.04385	1.2
125.02302	3.1
125.09684	0.6
129.01892	0.8
131.03400	18.3
131.07057	1.2
132.02077	1.0
134.03674	1.9
135.04402	0.9
135.06544	1.0
137.02399	1.0
143.03404	3.7
145.02887	1.4
149.04460	22.9
152.01094	1.2
153.05438	0.9
159.04460	0.7
160.01627	3.7
161.02362	0.7
161.04460	6.1
171.10207	1.0
173.04462	1.4
174.03162	1.1
175.02495	0.6
175.03906	9.8
176.04350	1.5
177.01947	0.7
179.05524	22.6
191.05536	10.9
191.07097	1.2
191.10800	0.7
193.04999	3.2
200.74167	0.5
209.11816	1.2
211.13329	4.2
218.02242	0.9
221.06465	1.2
235.06001	3.6
251.07693	2.1
251.16595	2.3
253.09280	2.1
253.18251	0.8
265.07306	1.8
291.19608	5.7
293.12292	0.9
295.08231	2.8
309.12094	0.8
309.20816	2.5
311.09854	1.1
366.49551	0.6
485.24246	0.6
485.31027	10.4
485.37457	1.0
486.31482	1.8
513.75000	0.7
527.29980	0.8
545.29858	4.5
546.28424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03328	1.1
58.00488	0.5
59.01250	100.0
60.01595	1.3
61.98705	6.6
69.03333	1.1
69.15629	2.2
69.16062	1.5
71.01250	12.1
71.04857	0.4
72.99191	0.8
73.02817	3.2
75.00747	1.1
81.36399	0.3
83.01258	1.6
85.02818	4.6
87.00758	1.0
87.04394	1.5
89.02308	6.3
93.03374	0.3
95.01262	1.1
96.95876	2.9
97.02798	0.8
98.19782	0.7
99.00771	1.5
99.04409	0.5
101.02322	7.9
101.43889	0.3
108.02047	0.4
109.02831	0.9
109.06479	0.4
111.04433	0.4
113.02333	5.9
119.03404	1.4
123.04433	1.1
125.02340	1.3
131.03377	1.7
133.06500	0.3
134.03654	0.4
135.04390	0.4
137.02362	0.5
143.03412	0.9
149.04459	1.0
151.00288	0.4
152.01163	0.5
153.05537	0.7
159.02939	1.2
159.04338	0.4
160.01556	0.5
161.02402	0.8
161.04468	8.7
163.83797	0.3
165.99170	0.3
173.04437	0.9
174.03114	0.5
175.03922	3.1
179.05513	1.1
183.10294	0.5
185.00920	0.9
189.01726	0.4
191.05548	0.9
193.05106	0.4
203.14409	0.5
235.06065	0.6
251.16476	2.1
258.03644	0.6
265.18259	0.5
269.89709	0.3
271.02460	0.7
273.05890	0.6
275.16840	0.7
280.58496	0.3
293.17645	1.4
300.02710	1.9
323.12848	0.8
341.14038	0.4
353.19836	0.8
383.24637	0.4
413.21805	1.0
467.30289	1.1
485.31177	14.7
486.31494	2.5
509.26215	0.9
529.30548	0.5
545.13385	1.0
545.25958	5.3
545.33405	0.8
546.26849	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	545.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56902	0.2
55.01764	0.5
57.03318	0.5
59.01252	100.0
60.01593	1.1
60.47374	0.2
61.98720	0.9
62.74074	0.2
64.24467	0.2
69.03327	0.3
69.17502	1.6
69.17931	1.2
71.01255	6.5
72.99196	0.4
73.02824	1.8
75.00767	0.6
77.21301	0.3
83.01272	1.3
83.94970	0.3
85.02816	2.7
85.03233	0.3
87.00753	0.4
89.02330	0.8
93.03375	0.6
95.01277	0.5
96.95911	0.4
98.19771	0.4
99.00779	1.1
101.02325	4.7
101.02927	0.4
113.02348	2.8
125.02377	0.6
135.04449	0.4
137.02382	0.8
143.03479	0.4
146.08220	0.5
158.14493	0.2
159.02962	0.8
159.04439	0.2
161.02448	0.4
161.04471	5.9
162.04845	0.3
177.01863	0.5
183.10265	0.3
189.01994	0.3
190.02682	0.6
197.45363	0.3
205.05110	0.7
239.63802	0.2
248.68825	0.3
251.13109	0.2
295.10657	0.3
349.41376	0.3
359.15240	0.3
375.72812	0.3
383.11670	0.3
383.20798	0.3
473.24359	0.5
485.31186	7.8
486.31488	1.3
545.23663	0.5
545.25861	0.4
545.33893	1.1
546.25708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29986	0.3
55.01760	0.8
59.01248	100.0
60.01582	1.1
61.98698	3.6
69.57098	0.3
71.01253	9.1
72.99202	0.4
73.02827	3.1
83.01248	1.6
85.02814	4.3
87.00748	0.5
89.02323	1.2
90.54293	0.3
93.03334	0.5
95.01290	0.9
96.23476	0.3
97.02870	0.3
98.20538	0.9
99.00737	1.7
101.02310	7.1
101.02915	0.5
113.02329	4.3
143.03386	0.6
159.02945	1.4
161.04454	8.6
174.03154	0.4
175.03842	0.3
191.05579	0.5
200.04701	0.3
205.03427	0.5
258.21072	0.3
351.59540	0.3
370.51578	0.3
386.27280	0.4
432.72263	0.3
485.31161	34.9
486.31427	5.0
529.30756	0.5
545.25183	0.5
545.33612	1.1
574.41785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31028	0.2
57.03320	0.7
58.00473	0.3
59.01250	100.0
60.01593	1.1
61.98705	3.4
62.66006	0.2
69.03320	0.5
69.37891	0.5
69.38301	1.3
71.01254	5.4
71.01618	0.4
73.02819	1.6
75.00740	0.4
78.95804	0.5
79.95623	0.4
81.03341	0.5
83.01273	0.8
83.04926	0.3
85.02827	3.1
86.03176	0.3
87.00751	0.6
87.04429	0.3
89.02314	4.1
89.02837	0.3
93.03348	0.4
95.01276	0.5
96.95888	7.9
96.96872	0.9
98.02374	0.8
99.00780	0.8
99.04411	0.4
101.02330	4.1
108.02055	8.3
109.02884	2.2
113.02336	2.5
114.67974	0.2
115.00275	0.5
119.03394	1.3
121.02837	0.3
123.04394	1.6
125.02365	1.0
131.03438	0.6
133.02861	0.7
135.04417	0.6
137.02374	0.3
143.03407	0.6
145.02823	0.4
146.85474	0.2
149.04492	0.4
151.00240	0.5
151.03960	0.4
151.06042	0.4
152.01050	4.5
153.01825	0.8
158.03661	1.1
159.02998	0.3
159.04501	0.7
161.02377	2.1
161.04488	2.0
161.09656	0.4
161.13246	0.2
163.03969	0.6
165.01904	0.3
167.03455	0.3
169.01384	0.4
173.02403	0.3
173.05931	0.3
174.03102	1.2
175.03922	0.7
177.01888	0.6
179.03484	0.5
179.05565	1.1
183.04422	1.9
184.04875	0.3
187.04024	0.6
187.11255	0.5
189.01871	0.3
189.05519	0.4
189.09343	0.3
190.02661	0.5
191.05533	0.4
199.03998	0.6
200.04727	2.1
201.01938	0.3
202.02672	2.7
203.03152	0.3
203.14378	0.3
205.12314	0.4
207.13551	0.2
209.11693	0.3
217.01422	0.4
217.04915	0.4
223.13327	0.5
227.03464	2.2
233.04567	0.3
247.06055	0.3
251.16516	0.5
259.06091	5.3
260.06500	0.4
267.12515	0.5
276.04355	0.5
293.04675	0.8
293.08774	0.3
294.05307	2.2
295.05948	0.6
309.07602	2.7
310.08374	0.4
313.11383	0.4
318.05383	0.5
333.07788	0.4
354.19363	0.3
365.10461	0.4
369.15625	0.4
382.10626	1.2
383.11337	12.0
384.11761	1.5
429.17572	0.4
429.23444	0.2
483.13080	1.2
483.19003	0.7
485.20477	0.3
485.31204	6.8
486.24973	0.3
486.31448	1.3
501.08121	0.4
529.30353	0.6
545.13324	7.2
545.22888	2.3
545.33551	0.7
546.13489	1.4
546.21991	0.5
570.39551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06623	0.6
54.14483	0.6
55.01742	0.8
57.03328	0.8
58.00462	1.5
59.01246	27.5
59.53867	0.6
61.98697	8.5
69.03324	1.2
70.79405	1.7
71.01250	14.0
72.99178	1.4
73.02821	3.3
81.12990	0.6
82.00888	0.6
83.01272	2.1
83.04893	1.3
85.02823	5.6
87.00729	1.2
89.02320	11.9
91.03945	0.7
93.03346	0.6
95.01266	1.0
97.02803	1.2
99.00736	1.1
101.01710	1.1
101.02322	15.3
107.04892	0.8
109.02840	0.9
111.08031	18.0
112.08398	1.2
113.02313	7.7
115.03939	0.7
119.03394	3.4
121.06469	0.7
125.02316	1.7
127.07523	0.8
129.05421	0.7
131.03343	0.7
136.49924	0.7
137.09618	1.1
141.09045	0.8
143.03378	1.9
151.11154	1.0
153.12747	1.9
161.04440	8.8
169.12247	7.6
173.04440	1.2
175.03871	2.1
179.05522	2.9
181.12265	1.4
183.13843	0.9
193.12186	0.7
197.11752	95.2
198.12083	5.3
199.13361	6.0
209.11745	0.8
211.13341	9.5
213.38318	0.7
227.12793	3.0
235.08173	1.0
253.09250	48.0
254.09576	2.9
263.20160	4.8
265.17999	2.9
273.18622	1.6
273.52347	0.6
286.04718	0.7
291.19644	27.9
292.20041	2.4
309.20691	100.0
310.21054	9.5
389.39484	0.7
399.10910	0.7
457.83694	0.9
485.31329	2.3
545.29565	5.1
546.30237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06623	0.6
54.14483	0.6
55.01742	0.8
57.03328	0.8
58.00462	1.5
59.01246	27.5
59.53867	0.6
61.98697	8.5
69.03324	1.2
70.79405	1.7
71.01250	14.0
72.99178	1.4
73.02821	3.3
81.12990	0.6
82.00888	0.6
83.01272	2.1
83.04893	1.3
85.02823	5.6
87.00729	1.2
89.02320	11.9
91.03945	0.7
93.03346	0.6
95.01266	1.0
97.02803	1.2
99.00736	1.1
101.01710	1.1
101.02322	15.3
107.04892	0.8
109.02840	0.9
111.08031	18.0
112.08398	1.2
113.02313	7.7
115.03939	0.7
119.03394	3.4
121.06469	0.7
125.02316	1.7
127.07523	0.8
129.05421	0.7
131.03343	0.7
136.49924	0.7
137.09618	1.1
141.09045	0.8
143.03378	1.9
151.11154	1.0
153.12747	1.9
161.04440	8.8
169.12247	7.6
173.04440	1.2
175.03871	2.1
179.05522	2.9
181.12265	1.4
183.13843	0.9
193.12186	0.7
197.11752	95.2
198.12083	5.3
199.13361	6.0
209.11745	0.8
211.13341	9.5
213.38318	0.7
227.12793	3.0
235.08173	1.0
253.09250	48.0
254.09576	2.9
263.20160	4.8
265.17999	2.9
273.18622	1.6
273.52347	0.6
286.04718	0.7
291.19644	27.9
292.20041	2.4
309.20691	100.0
310.21054	9.5
389.39484	0.7
399.10910	0.7
457.83694	0.9
485.31329	2.3
545.29565	5.1
546.30237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62363	1.4
57.03310	2.4
57.25047	1.6
59.00959	2.3
59.01250	46.3
61.98693	12.8
65.43639	1.5
65.46413	1.4
69.03332	1.7
69.16813	18.9
71.01245	13.0
72.99181	2.2
73.02780	2.0
74.71782	1.6
75.00735	2.1
78.95747	1.8
83.04873	2.2
85.02825	4.3
87.00733	2.6
89.02323	8.4
93.03339	3.2
95.04865	2.0
96.95910	4.8
99.04317	2.3
101.02318	10.2
111.08023	12.9
113.02324	2.8
119.03421	2.0
125.02285	2.4
137.09642	1.9
137.36554	1.6
161.04500	4.2
165.89351	1.5
167.10657	2.4
172.05132	1.9
173.04433	3.2
177.12816	2.2
178.13264	2.2
179.05447	1.7
179.10690	2.3
189.01729	2.0
191.05589	2.8
195.13780	10.8
197.11720	2.2
209.11766	2.3
247.20656	2.5
253.09248	19.3
261.26678	1.7
291.19662	100.0
292.19998	12.5
293.21194	1.7
296.20728	1.7
309.20724	9.0
309.39365	1.7
345.17191	2.0
416.22415	1.8
485.32278	1.9
487.33823	2.8
545.29510	3.8
560.00653	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	545.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01767	0.6
57.03316	1.6
59.01250	100.0
60.01581	1.6
61.98702	7.2
69.03324	7.4
71.01249	15.8
71.51476	1.1
72.99173	1.5
73.02819	16.5
73.03202	1.3
75.00757	2.6
83.01248	10.1
83.04954	0.7
85.02832	5.3
87.00764	2.2
87.04391	1.1
89.02310	7.1
93.03353	1.2
95.01278	2.6
96.95889	12.9
97.02837	1.4
99.00745	1.5
99.04408	0.9
101.02323	22.9
107.01273	2.1
108.02086	1.1
109.02836	1.5
111.00730	0.7
112.41254	0.8
113.02334	33.8
114.02682	0.7
115.00253	1.7
115.03911	0.9
117.05462	78.5
118.05814	1.8
119.03382	5.9
120.99562	2.0
121.02893	1.0
123.00777	2.3
125.02351	6.2
131.03371	5.4
133.01323	1.1
135.04388	0.9
137.02350	1.0
137.30627	0.7
139.00340	0.8
139.03882	0.8
143.03412	2.2
149.02362	1.2
149.04521	1.0
151.00319	1.7
151.03859	1.0
152.01099	1.3
153.01836	0.9
159.04460	1.0
159.06511	7.7
161.02390	1.6
161.04460	8.5
161.05682	1.0
161.09576	0.8
163.03848	0.7
167.03441	1.4
169.01338	8.2
173.04462	0.9
173.27919	0.7
177.01895	2.6
179.05492	1.2
187.09724	0.9
187.11241	1.4
189.07608	12.6
189.09158	0.8
189.12810	0.7
190.08049	1.0
199.01042	0.8
203.03406	1.0
207.08669	0.9
213.07732	0.7
219.08720	2.8
221.69458	0.7
223.13428	3.0
231.02885	0.7
249.11496	1.1
265.14493	2.4
267.12408	7.4
271.02554	0.9
279.10995	1.6
289.07071	0.8
300.02847	1.8
300.99936	1.5
301.03516	1.1
365.07126	0.7
429.17749	3.7
429.70508	0.8
447.05774	0.7
483.19113	3.1
541.90833	0.8
545.11774	1.3
545.18774	3.9
545.26849	1.1
546.12329	1.0
546.26129	1.7
547.98676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.3
58.00473	3.5
58.11215	1.6
59.01250	100.0
61.98699	12.0
71.01251	55.9
72.99180	4.3
73.02815	3.6
83.01270	2.6
85.02827	12.9
87.00739	7.7
89.02316	73.2
91.70146	1.8
93.03361	2.7
95.01265	4.8
96.95904	7.3
97.83301	1.8
101.02332	23.9
107.50033	1.5
109.02834	3.9
113.02332	21.7
115.05415	9.1
116.02566	3.5
119.01369	1.5
119.03394	24.0
121.02845	3.0
125.02327	4.6
131.03404	4.2
134.30325	1.7
137.02347	1.9
143.03394	3.6
149.02357	6.4
149.04471	3.8
149.05914	2.2
151.00291	7.9
159.04437	30.5
160.04761	1.8
161.02342	2.1
161.04453	5.8
163.03877	4.3
164.04648	7.5
169.01347	2.4
174.03224	1.8
175.00261	3.0
175.03894	7.9
177.05521	2.2
178.99780	1.9
179.03308	2.3
179.03973	1.7
179.05547	16.9
179.06992	2.8
180.08783	1.7
183.26674	1.5
185.23663	1.7
189.02017	1.7
190.02679	11.2
190.16537	1.7
191.03313	3.1
198.03085	6.5
199.03864	2.5
203.28589	1.7
205.05006	11.3
206.05730	7.1
207.02953	1.7
208.03651	2.1
209.04738	1.7
221.08034	3.8
223.06053	13.7
225.01859	6.1
226.02600	2.3
227.03474	3.1
229.73242	1.9
237.07721	2.1
243.02975	11.2
249.14990	4.9
251.16457	2.7
254.02068	3.2
255.02875	13.6
261.05597	2.1
263.07248	3.7
265.07169	18.0
271.02460	55.2
272.03006	5.5
273.05292	1.9
274.06281	9.9
278.05780	7.5
279.06589	5.0
289.05002	4.7
290.05914	3.6
295.08066	9.5
300.02713	69.2
301.03345	23.3
313.11386	4.5
317.04440	3.9
318.05255	12.6
325.09314	17.3
333.07675	41.7
333.11475	3.3
334.08142	5.0
352.09418	4.1
365.10300	17.9
366.10599	3.4
368.08975	1.8
385.11572	4.1
455.16211	1.8
463.08914	17.1
483.18796	9.1
545.13037	45.3
545.25708	11.7
546.13452	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	545.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01251	100.0
59.60127	0.3
60.01577	0.3
61.98699	4.1
65.67538	0.3
69.32761	2.7
71.01255	6.1
72.99206	0.5
73.02812	2.2
75.00724	0.4
78.95779	0.5
83.01280	0.7
83.04897	0.4
85.02819	4.0
87.00771	1.2
87.04355	0.4
89.02316	5.0
93.03344	0.3
96.95892	5.4
96.96849	0.5
97.02834	0.5
98.02354	0.3
99.00784	0.5
101.02322	4.9
103.03896	0.3
107.04950	0.3
108.02051	7.6
109.02875	1.2
113.02325	3.1
115.03874	0.3
119.03374	1.9
119.04883	0.4
121.02885	0.6
123.04408	4.1
125.02336	1.6
131.03403	0.7
133.02875	0.5
133.04950	0.4
135.04436	1.4
143.03418	0.7
145.02867	0.6
147.55795	0.3
149.02428	0.4
149.04533	0.6
149.05829	0.3
151.00278	0.6
152.01102	1.3
153.01935	0.5
158.03667	0.5
159.03046	0.5
159.04407	0.5
161.02361	2.7
161.04466	2.1
161.09543	0.8
163.03941	1.0
169.01363	0.8
171.04488	0.3
173.02338	0.6
174.03177	3.3
175.03906	1.4
177.01866	0.5
179.03320	0.3
179.05606	1.6
183.04440	6.5
184.04750	0.5
187.03978	1.2
187.11261	0.8
189.01836	0.7
189.09189	0.4
190.02663	0.5
191.05544	0.7
199.03972	1.2
200.04727	8.4
200.06584	0.6
201.01965	0.4
201.05165	0.8
202.02570	0.5
207.10135	0.3
209.02431	1.0
215.03360	0.4
216.04237	0.4
217.01337	0.5
217.04955	0.6
223.13390	1.3
227.03441	7.0
227.05409	0.3
228.03830	0.7
229.04910	0.4
244.03766	0.5
249.11197	0.4
251.03383	0.5
251.16541	1.0
258.05338	1.2
259.06094	21.2
260.06461	1.6
266.05807	0.4
267.12274	1.9
276.04260	1.2
277.04910	1.5
290.06012	0.7
293.04581	2.9
293.08279	0.5
294.05331	9.6
294.08524	0.6
295.05902	2.0
308.06900	0.5
309.07657	10.0
310.08112	1.5
318.05338	1.6
319.05753	0.5
323.09000	0.5
333.07745	1.1
336.08862	0.5
351.08575	1.7
353.10266	0.3
354.33136	0.3
365.10361	1.2
369.15643	1.2
382.10449	5.0
383.11331	44.6
384.11670	4.9
429.17654	0.9
483.12851	1.2
483.18887	1.2
485.20340	0.6
485.31171	6.5
486.31866	0.4
527.21484	0.5
529.30310	0.7
545.13031	2.8
545.22900	3.1
545.33362	0.8
546.12988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04244	0.8
59.01249	61.4
61.98702	2.1
69.27179	5.6
69.27609	3.5
71.01254	13.2
72.99175	1.3
73.02811	1.6
83.01240	0.9
85.02814	4.2
87.00736	1.8
89.02316	20.4
96.95895	11.0
96.96815	1.6
101.02324	7.1
113.02330	8.1
114.54932	0.9
114.59698	1.0
115.04634	2.0
115.05421	35.2
116.05762	1.2
119.03392	7.4
121.02840	2.6
125.02283	1.8
131.03404	2.1
131.04913	1.4
134.03641	0.9
135.04395	2.9
143.03377	1.5
147.04384	1.3
149.02350	13.5
149.04361	1.5
151.03986	1.2
152.01062	1.4
158.03621	4.4
159.04419	100.0
160.04749	3.3
161.02361	1.5
161.04405	2.3
163.03867	5.4
164.03455	1.6
164.04703	17.4
165.05360	2.8
166.02634	1.4
174.03075	1.1
175.00284	5.0
175.03699	1.3
177.05464	3.7
178.06168	1.8
179.05496	7.4
179.07063	4.0
188.04681	1.3
190.02649	17.9
191.03369	7.7
193.01360	1.7
203.07153	1.5
205.05003	24.5
206.05743	13.0
207.02994	4.5
207.06572	1.7
208.03716	6.0
218.02141	2.0
221.08147	13.3
222.05255	1.5
223.06047	37.8
224.06502	1.6
235.02502	1.4
237.07611	6.2
247.06068	3.3
250.04707	5.2
265.07141	50.6
266.07544	2.7
274.06250	2.0
295.08191	31.3
296.08484	1.6
300.02667	1.7
318.05414	2.1
325.09265	40.7
326.09689	2.5
333.07639	7.6
341.13864	1.1
365.10080	2.8
385.11383	8.5
393.00372	1.1
488.60938	1.1
545.12708	2.2
545.26678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1301
Annotation	Quercetin 7-(6''-tiglylglucoside)
Peak:m/z	Relative Intensity
57.03314	1.2
59.01250	28.7
61.98701	5.7
63.02273	0.7
65.00199	0.8
71.01254	7.9
71.04869	0.5
72.99168	0.8
73.02816	1.8
78.95731	0.8
83.01243	1.1
84.96542	0.6
85.02824	2.1
87.00749	1.1
89.02312	9.5
91.01752	0.9
93.03325	0.7
93.19511	0.5
95.01260	0.8
96.95897	4.3
96.96841	0.8
98.20657	1.1
99.00754	1.0
101.02312	4.6
107.01257	2.5
108.02042	1.8
109.02840	2.2
113.02335	2.8
115.03920	1.0
115.05441	1.3
119.03371	2.4
119.04818	0.5
121.02863	1.0
123.04424	0.5
124.01565	0.7
125.02350	2.7
131.03387	0.7
133.02873	0.7
135.00745	1.2
135.04396	1.3
137.02374	0.8
139.00345	0.7
139.03854	0.6
143.03340	0.7
145.02840	0.9
147.00784	0.5
148.01559	1.2
149.02307	0.9
149.04443	0.8
149.52756	0.5
151.00279	9.4
151.03937	1.0
151.19913	0.5
159.04395	3.4
161.02327	1.3
161.04486	1.5
163.00223	3.0
163.03902	1.3
164.01010	1.2
164.04665	0.7
167.03392	0.6
169.01370	1.2
171.82141	0.5
172.05128	0.6
173.04515	0.6
174.03133	1.0
175.00330	0.5
175.03885	4.5
177.01831	0.6
177.05461	2.0
178.99818	4.1
179.03352	0.8
179.05496	2.1
183.04451	0.7
185.82047	0.5
187.03920	0.9
188.04829	0.8
189.01846	0.9
190.02573	1.5
191.03494	0.8
191.05516	0.7
193.05055	0.5
197.02560	0.5
198.03000	1.2
199.03943	1.7
201.01886	0.9
203.03532	0.6
205.04979	2.1
206.05756	1.1
207.02910	0.7
211.03976	1.0
215.03458	1.2
216.04153	0.7
221.08125	0.9
223.06114	1.7
224.09601	0.6
226.02675	4.8
227.03401	5.1
229.01250	0.9
229.05014	0.7
243.02950	19.2
244.03387	1.6
249.12718	0.5
249.14989	2.5
251.16403	1.6
254.02162	3.7
255.02962	22.5
256.03275	1.9
265.07117	2.0
267.15985	0.7
269.17560	0.8
271.02466	79.3
272.02875	8.8
283.02573	0.7
293.08636	0.9
299.02045	1.8
300.02728	100.0
301.03421	34.7
302.03806	2.9
313.11371	0.8
325.09262	1.5
333.07645	1.4
341.06461	0.7
343.04691	0.7
365.10165	0.6
463.08798	26.9
464.09103	4.3
485.31058	1.4
545.12976	66.6
545.25348	7.0
546.13318	10.4
546.26630	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	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13439	0.6
57.03315	1.7
59.01247	25.7
61.98694	4.7
71.01247	7.2
71.51121	0.8
72.99157	0.8
73.02818	1.6
75.00748	0.7
78.95771	3.4
79.95610	0.6
83.01255	1.2
85.02805	5.1
87.00743	2.0
89.02308	5.6
95.01224	0.6
95.04878	0.7
96.95885	12.7
96.96825	5.0
97.02838	1.0
98.02340	1.8
99.00740	0.7
100.06570	0.6
101.02322	4.7
107.04929	1.0
108.02045	8.8
109.02855	1.2
113.02338	3.2
119.03336	1.2
119.04945	0.8
121.02866	0.6
123.00766	1.3
123.04404	7.6
125.02312	2.5
131.03397	0.7
131.04948	0.7
133.02882	0.7
135.02921	0.7
135.04378	1.5
139.00204	0.7
149.04320	0.6
151.00278	1.4
152.00996	0.8
159.04407	10.0
161.02356	2.0
161.04465	2.8
161.05910	1.4
161.09612	1.6
161.13338	0.9
163.03918	1.7
169.01318	1.4
173.02338	2.2
174.03102	6.4
175.00310	1.6
175.03856	3.3
176.01047	1.4
177.01834	2.0
177.05446	2.9
179.05553	1.0
183.04425	12.8
183.10216	0.7
187.03909	2.2
187.11182	2.8
189.01836	0.6
189.09082	1.2
190.02637	3.8
191.03256	1.1
191.05478	0.7
199.03915	2.7
200.04712	18.6
201.01814	1.0
201.05124	0.9
205.04994	5.1
205.12271	1.2
209.02409	1.4
223.13348	2.4
227.03452	17.1
228.03787	1.2
237.05914	0.6
249.11415	1.0
258.05273	1.4
259.06085	41.2
260.06451	2.6
265.07153	0.6
265.14578	0.8
266.05771	0.7
267.12372	2.6
276.04208	2.6
277.04996	3.0
290.05710	1.4
291.06540	0.8
293.04480	6.5
294.05310	15.1
295.05859	3.1
306.79782	0.7
308.06839	1.1
309.07654	18.0
310.07959	3.3
318.05206	2.2
322.08472	0.6
323.09229	1.2
333.07700	3.0
336.08481	1.2
339.10803	6.5
339.14392	1.0
340.11377	1.0
346.42136	0.6
351.08698	3.5
354.18964	0.7
365.10211	1.9
369.15591	2.4
382.10620	9.9
383.11313	100.0
384.11649	13.3
390.48160	0.6
429.17746	3.5
465.47412	0.7
471.18707	1.8
483.18680	11.6
485.20483	0.8
485.31097	1.3
545.14996	2.9
545.22937	5.4
546.24963	1.7
553.57770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01244	3.5
61.98696	1.3
69.03323	0.3
71.01251	2.1
71.51286	0.3
72.99189	0.2
73.02826	0.9
75.00748	0.4
81.03356	0.6
83.01246	0.4
85.02824	1.4
87.00766	0.5
87.04385	0.6
89.02315	1.0
89.03830	2.2
90.20454	0.2
93.03344	0.4
95.01271	0.3
95.04883	0.3
96.95905	0.6
97.02853	0.3
99.00768	0.3
99.04404	0.3
101.02313	1.6
104.02578	0.5
105.03340	4.0
106.03703	0.2
107.01280	0.4
107.04906	0.2
109.02874	0.4
113.02311	1.1
117.05468	0.6
119.03356	0.4
119.04929	0.6
121.02847	1.0
123.00759	0.2
125.02341	0.7
131.03452	0.2
133.02840	9.8
134.03098	0.3
135.04411	0.4
137.02325	0.2
137.05988	0.2
139.03928	0.2
139.11157	0.2
145.02762	0.2
148.01564	0.4
149.02338	3.6
149.04263	0.2
149.05980	0.2
150.03050	0.2
151.00266	1.4
151.03926	0.2
159.04419	0.5
161.02322	0.5
161.04457	0.7
161.09657	0.2
163.03917	0.6
164.04651	1.2
169.01315	0.3
174.03146	0.2
175.00308	0.3
175.03897	0.4
176.01035	1.0
177.01842	100.0
178.02170	5.3
178.99767	0.6
183.10220	0.4
187.11174	0.3
189.01894	0.3
190.02592	0.8
191.03375	0.3
191.05472	0.3
195.06372	0.2
201.11223	0.7
205.05037	0.7
205.12251	0.2
207.10077	0.2
223.06021	1.3
223.13242	0.4
225.11209	0.3
227.12822	0.2
230.80035	0.2
249.11191	0.2
265.14551	0.2
267.12305	0.5
271.02557	0.3
295.10153	0.2
300.02844	0.2
301.00320	0.2
301.03534	2.1
302.03961	0.3
302.30737	0.2
317.15939	0.8
329.81836	0.2
339.07169	4.7
340.07437	0.5
341.14215	0.2
361.15106	1.0
367.09967	0.2
369.06247	0.3
369.15286	0.2
383.07245	0.2
429.17310	0.2
465.08090	0.7
483.18552	0.3
545.12823	6.9
545.26105	1.7
546.12976	1.2
546.26514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73304	0.1
59.01252	1.4
61.98695	0.3
62.99644	0.2
70.07163	0.5
70.96323	0.1
71.01246	0.8
72.99171	0.1
73.02807	0.2
73.74160	0.1
79.95158	0.1
79.95608	2.3
83.01247	0.2
85.02827	0.2
87.00751	0.2
89.02322	0.3
93.03343	0.2
95.04908	0.2
96.95886	100.0
97.95827	0.4
101.02311	0.4
102.38732	0.1
107.01276	0.3
109.02833	0.2
111.00716	0.2
113.02328	0.4
115.00207	0.2
117.05413	0.2
119.04923	0.2
120.99534	0.3
123.00845	0.3
125.02318	0.5
127.00303	0.2
129.34676	0.1
135.02913	0.2
135.04364	0.2
139.00278	0.5
145.02827	0.2
151.00267	0.5
161.02373	0.3
161.04445	0.2
163.00266	0.2
163.03914	0.5
165.01726	0.2
169.01334	0.6
173.04518	0.2
175.02446	0.2
175.03944	0.3
178.99825	0.3
199.03862	0.2
207.06554	0.2
222.49129	0.1
227.03455	0.2
255.02953	0.6
271.02444	1.0
272.02658	0.2
287.01672	0.2
300.02725	2.1
301.00098	0.2
301.03418	1.6
400.90723	0.1
447.09348	3.0
448.09537	0.3
466.47754	0.1
545.10712	0.1
545.25684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12879	0.6
59.01250	1.4
59.82429	0.5
61.66512	0.7
61.98690	5.3
65.67683	0.7
71.01251	1.2
71.37408	1.2
75.00761	0.7
80.96395	0.6
83.01247	1.7
84.04409	1.9
85.02823	1.0
87.00742	0.7
89.02350	0.9
95.01215	0.6
96.95878	4.5
104.63857	0.6
107.01350	0.5
109.02870	1.0
111.00797	1.1
111.13309	0.6
117.03299	0.6
120.68800	0.5
121.31927	0.5
122.30360	0.6
123.00773	1.1
125.02334	1.9
127.00311	0.7
128.03424	10.2
131.04941	2.5
133.02858	0.8
135.04358	0.8
139.00308	0.9
147.04414	2.5
149.02374	0.6
151.00287	1.6
153.01831	3.0
154.02148	0.8
157.02905	1.3
161.02301	1.4
162.02145	3.6
163.03876	0.6
167.03659	0.7
169.01353	2.5
173.02361	1.6
174.03119	9.2
175.03922	100.0
176.04288	6.3
177.01811	0.9
191.03589	0.7
191.05484	0.8
201.01987	0.8
203.03488	0.6
209.02722	27.7
210.03053	1.6
257.00861	0.8
275.01947	1.5
299.99091	0.8
300.99908	4.3
302.00204	1.0
302.03729	1.1
337.07867	0.9
338.07904	1.8
371.08011	16.6
372.08389	1.5
391.02997	1.6
500.12332	17.6
500.19525	1.3
501.12585	1.5
544.13159	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	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28333	0.7
55.01770	2.2
57.03324	2.4
58.00457	0.9
59.01250	100.0
59.20333	0.7
60.01583	0.8
61.98702	14.2
64.19100	0.7
70.37594	2.0
70.37917	0.8
71.01252	38.7
72.99187	1.8
73.02818	13.1
74.00561	0.8
74.17104	0.7
75.00764	1.1
83.01257	4.7
83.04901	2.9
85.02824	17.6
87.00764	2.4
89.02324	12.9
95.01276	3.4
97.02827	1.8
97.06503	2.3
99.00760	4.9
101.02317	30.7
102.02671	0.8
109.06422	1.2
111.04367	1.0
113.02335	16.2
119.03409	5.0
125.02350	2.5
127.03912	2.9
127.07559	1.6
129.01825	1.3
129.05502	1.5
143.03442	2.8
159.02946	2.3
161.04465	16.4
163.11142	1.0
165.12840	1.0
174.03230	0.8
175.03951	1.8
179.05557	4.8
181.12416	0.7
185.11746	1.1
191.14342	1.7
209.11803	3.2
237.11287	1.1
245.19154	2.8
253.09247	6.8
263.20267	1.4
289.18079	11.7
290.18500	0.7
295.02524	1.0
307.19138	16.3
308.19534	1.5
319.22879	1.9
321.24313	1.1
338.58395	0.8
439.34207	5.6
465.32471	2.4
483.29608	96.4
484.29984	14.4
533.70410	0.8
543.28461	2.2
543.35931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99152	0.6
59.01253	1.6
61.98701	3.7
71.01254	1.1
71.49992	0.6
71.50446	1.0
72.99178	0.7
79.95596	0.9
83.01256	0.9
84.04406	1.0
85.02825	0.7
89.02320	0.9
93.03297	0.7
95.01247	0.7
96.95877	4.5
101.02300	1.0
111.00718	1.1
117.03340	1.0
123.00764	1.5
125.02303	3.3
128.03438	4.8
131.04919	2.1
134.03360	0.6
145.02882	1.0
147.04443	2.1
151.00288	1.4
153.01775	3.6
154.02164	1.2
157.02768	0.8
161.02386	1.3
162.02216	2.7
166.99701	0.7
169.01364	1.6
173.02364	1.3
174.03120	9.1
175.03915	100.0
176.04228	6.5
177.01831	0.9
185.02347	0.8
191.05722	0.9
200.80707	0.8
209.00737	1.6
209.02696	23.2
210.03030	1.4
275.02051	1.3
300.99854	4.7
301.03159	1.4
337.07712	1.0
338.07938	1.3
371.07999	12.0
372.08578	0.9
391.03067	1.7
398.68118	0.7
464.09399	0.9
500.12244	11.5
501.12381	0.9
531.26447	0.7
544.05798	0.8
544.13910	2.1
545.18787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03328	1.5
58.00446	0.5
58.10352	0.3
59.01249	100.0
60.01573	0.9
61.98704	3.7
62.81060	0.4
69.03329	0.9
69.98743	0.3
70.24844	0.3
71.01253	28.8
71.51478	0.4
72.99191	1.2
73.02818	9.7
75.00748	0.5
78.97958	0.3
83.01255	3.9
85.02820	13.9
86.03150	0.3
87.00754	1.4
89.02313	3.8
89.98657	0.3
95.01264	1.9
97.02851	1.0
99.00767	4.0
101.02322	23.7
113.02332	12.6
115.44013	0.3
119.03402	0.7
125.02343	1.2
129.01804	0.8
129.05467	0.3
131.30521	0.3
135.04482	0.3
141.80037	0.3
143.03400	2.3
159.02882	3.9
161.04460	32.2
162.04819	1.0
167.10057	0.3
174.03197	0.7
175.03922	4.1
179.05605	0.4
197.11838	0.5
205.03441	1.2
209.11780	0.7
267.16006	0.3
291.06729	1.0
295.02652	0.4
299.01910	0.4
309.11826	0.6
319.06171	2.9
321.20801	0.7
321.24347	2.2
365.23257	0.5
483.29626	51.7
484.29886	7.6
543.15234	0.4
543.28210	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	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28333	0.7
55.01770	2.2
57.03324	2.4
58.00457	0.9
59.01250	100.0
59.20333	0.7
60.01583	0.8
61.98702	14.2
64.19100	0.7
70.37594	2.0
70.37917	0.8
71.01252	38.7
72.99187	1.8
73.02818	13.1
74.00561	0.8
74.17104	0.7
75.00764	1.1
83.01257	4.7
83.04901	2.9
85.02824	17.6
87.00764	2.4
89.02324	12.9
95.01276	3.4
97.02827	1.8
97.06503	2.3
99.00760	4.9
101.02317	30.7
102.02671	0.8
109.06422	1.2
111.04367	1.0
113.02335	16.2
119.03409	5.0
125.02350	2.5
127.03912	2.9
127.07559	1.6
129.01825	1.3
129.05502	1.5
143.03442	2.8
159.02946	2.3
161.04465	16.4
163.11142	1.0
165.12840	1.0
174.03230	0.8
175.03951	1.8
179.05557	4.8
181.12416	0.7
185.11746	1.1
191.14342	1.7
209.11803	3.2
237.11287	1.1
245.19154	2.8
253.09247	6.8
263.20267	1.4
289.18079	11.7
290.18500	0.7
295.02524	1.0
307.19138	16.3
308.19534	1.5
319.22879	1.9
321.24313	1.1
338.58395	0.8
439.34207	5.6
465.32471	2.4
483.29608	96.4
484.29984	14.4
533.70410	0.8
543.28461	2.2
543.35931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2806
Annotation	Pharboside C
Peak:m/z	Relative Intensity
54.21890	0.5
55.01757	0.7
57.03326	3.3
58.00471	0.5
59.01248	22.4
61.98697	6.8
66.98106	0.5
67.01734	0.7
69.03316	1.0
71.01253	19.0
71.50242	0.7
71.50557	0.6
72.99178	5.4
73.02813	2.0
75.00746	18.1
82.95302	0.8
83.01254	0.9
84.02071	0.5
85.02817	20.0
87.00750	6.7
89.02306	8.9
95.01257	5.1
96.95892	0.6
99.00755	8.6
101.02312	3.1
103.00249	2.5
111.00789	0.7
113.02325	27.3
115.00259	2.0
117.01814	2.1
119.03397	1.7
119.95097	0.5
129.01785	1.2
131.03365	1.0
149.04521	0.6
157.01349	1.3
161.04448	1.3
165.31686	0.5
175.02376	3.1
179.05489	1.6
193.03543	0.6
195.13826	4.4
196.14459	0.8
205.07083	2.1
205.12238	0.7
207.05038	0.6
223.08099	0.8
223.13304	3.4
224.13647	0.6
249.06125	5.8
267.07190	6.3
275.20135	2.2
293.21228	21.0
293.24530	1.2
294.21527	2.4
295.02426	3.2
474.21136	0.8
525.26971	2.9
543.28064	100.0
544.14667	0.7
544.28442	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	543.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
71.01254	0.2
72.30770	0.1
80.91563	0.2
91.18114	0.1
93.74120	0.1
101.02322	0.2
106.75394	0.1
113.02308	0.2
119.04961	0.2
121.02817	0.1
129.03392	0.2
130.04112	0.5
131.04919	4.6
132.05238	0.2
133.02835	0.1
135.04385	0.3
135.21278	0.1
145.02855	0.2
147.04408	1.0
149.02359	1.3
157.02870	0.4
158.03632	0.4
159.04381	0.2
163.03903	0.4
164.04735	1.2
165.01933	0.2
165.05339	0.2
173.02368	1.0
174.03139	22.1
175.03914	100.0
176.04256	5.5
179.03304	0.2
179.06993	0.4
183.04417	0.2
184.25958	0.1
187.03900	0.5
188.04645	0.2
189.05516	0.3
190.02643	2.5
191.03375	0.6
192.03954	0.1
193.01259	0.2
199.03889	0.2
200.04707	0.5
201.05580	0.2
201.22429	0.1
203.07080	0.2
205.04980	2.3
206.05733	1.1
207.02911	0.5
207.06258	0.1
208.03662	0.5
217.05009	1.2
221.08130	1.2
223.06073	3.1
229.04994	1.0
237.07587	0.5
250.04831	0.5
265.07193	4.2
266.07446	0.4
295.08176	1.1
325.09250	1.5
326.09741	0.2
353.08679	0.3
367.10284	1.7
385.11441	0.3
543.23029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1355
Annotation	Scytonemin
Peak:m/z	Relative Intensity
55.01737	1.2
59.01232	4.4
61.98703	8.5
68.32343	1.0
68.99670	4.0
69.03313	1.3
69.10584	0.9
71.01247	7.5
71.50246	2.0
72.99158	1.6
73.02804	2.6
75.00740	2.6
80.96391	1.6
83.01245	3.8
85.02811	11.1
87.00744	5.2
87.04395	1.1
89.02290	2.1
89.95923	0.9
90.36830	1.0
91.29267	0.9
91.46166	0.9
95.01242	2.7
96.95892	5.0
97.02825	1.6
99.00758	7.5
100.01035	1.2
101.02288	3.2
107.01238	3.1
109.02788	1.6
111.00757	5.3
112.98627	1.2
113.02328	9.2
113.14510	0.8
113.99473	20.9
115.00287	8.9
117.68235	1.0
118.53608	0.9
119.04893	1.0
119.68430	1.1
121.02839	4.7
123.00726	1.8
123.04489	1.1
125.02284	4.3
126.32405	1.0
127.00275	6.4
129.01768	4.2
135.04387	2.7
137.02216	1.2
139.00302	2.2
141.01790	2.6
147.04359	2.2
149.02336	13.7
151.00279	13.2
153.01830	2.3
153.05502	5.2
157.01332	7.6
163.03926	1.8
164.03471	1.1
164.04706	13.7
169.01355	6.0
174.01555	22.3
174.03101	6.7
175.02315	2.7
175.03845	8.9
177.01822	1.8
178.99802	6.7
190.02609	1.2
191.03326	1.7
191.05476	1.6
191.12401	0.9
193.01349	1.0
205.04997	2.1
209.02632	1.6
209.04462	1.1
217.04987	1.2
218.02170	13.8
219.02577	1.3
223.05998	11.4
224.59666	0.9
229.01460	1.3
229.04906	1.8
265.06940	1.1
275.01764	1.3
277.05606	43.8
278.05832	2.0
300.99835	6.5
301.03412	30.5
302.03757	2.7
309.03723	1.1
319.06369	1.4
337.07739	100.0
338.08078	8.5
345.15256	1.8
371.07877	1.2
395.04156	1.1
463.08731	13.5
464.09128	1.4
483.11404	4.4
543.04602	5.8
543.13330	94.6
544.05847	1.8
544.13831	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	543.0445
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
55.36102	2.0
59.01233	5.7
61.98690	15.1
65.00180	5.9
71.01241	4.5
71.03862	2.6
72.99161	2.5
73.02793	1.6
73.59391	1.8
75.00742	3.1
79.95628	2.3
80.96369	1.9
83.01251	5.6
85.02823	3.8
86.45686	1.8
87.00766	3.9
89.02333	3.1
93.03323	4.6
95.01245	2.3
96.95865	11.0
99.00716	3.2
101.02280	2.7
107.01284	12.5
108.01984	2.0
109.02799	2.7
111.00744	2.8
113.02336	1.9
114.79034	1.8
121.02848	11.8
123.00763	2.4
123.04393	4.4
124.01537	1.9
125.02324	6.7
135.02908	2.0
135.04376	7.1
137.02307	3.6
147.04367	2.9
149.02402	1.9
151.00259	58.0
153.05426	5.1
161.02338	3.9
162.02165	3.7
169.01320	10.8
173.02365	3.1
174.03140	8.2
175.03911	65.6
177.01730	2.3
178.99786	26.5
191.05533	3.1
193.01306	2.1
201.01836	2.5
209.02722	17.9
209.11792	2.5
218.02177	1.9
223.06216	2.0
223.42949	1.9
229.04974	2.6
230.01817	2.0
241.00153	3.6
241.11195	2.5
245.00726	1.8
255.02904	1.9
271.02280	2.1
273.04050	2.4
275.01950	3.0
277.08691	1.8
298.98367	2.3
299.01996	2.0
299.99124	4.4
300.02704	6.5
300.99875	10.9
301.03461	100.0
302.03781	10.7
307.02966	2.2
307.06223	2.5
308.06821	3.6
313.22189	1.9
371.08063	12.7
463.08792	68.8
464.09216	10.3
467.03391	2.9
499.17709	2.2
500.12430	10.5
542.25140	2.7
543.04321	38.6
543.18286	6.1
544.04700	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0448
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
56.34409	1.6
59.01242	5.4
61.98712	9.3
65.00196	6.0
71.01255	7.3
79.95602	8.5
80.96391	6.8
83.01254	5.3
85.02802	2.5
87.00740	2.9
89.02312	2.2
89.50131	1.6
93.03368	2.1
94.97928	2.1
96.95886	85.8
98.20589	6.4
99.00752	2.0
101.02261	2.3
107.01283	10.9
109.02838	3.7
111.00764	3.3
111.04409	2.0
113.02335	2.7
121.02843	8.0
125.02325	5.8
127.25479	1.6
133.68130	1.5
135.02872	2.2
135.04370	2.4
137.02359	3.0
138.96971	2.2
149.02379	2.7
151.00270	36.2
151.03874	2.0
153.01813	3.2
161.02367	2.1
163.00305	2.7
166.99811	1.8
169.01280	4.6
171.25050	1.7
178.99768	19.8
181.04820	1.7
191.05511	3.5
193.01237	1.8
214.80072	1.7
232.83794	1.8
241.00200	20.6
243.02905	3.3
245.04440	2.2
255.02974	9.2
271.02487	15.7
273.04041	2.6
300.02734	39.7
301.00189	4.1
301.03506	100.0
302.04120	8.3
321.09875	2.0
361.50592	1.9
380.99072	2.4
463.08878	34.8
464.08719	3.3
543.04694	34.9
543.17590	47.9
544.04852	4.8
544.17737	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	543.045
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
59.01233	0.7
61.98703	2.9
63.02271	2.4
63.79325	0.3
65.00190	3.7
68.23566	0.3
69.41315	2.9
71.94238	0.3
79.95614	0.6
80.96391	0.8
83.01242	3.3
85.02821	0.6
89.57330	0.3
93.03343	1.4
96.95870	0.6
98.20659	0.3
107.01268	9.6
108.02097	0.3
109.02853	0.5
113.02313	0.4
113.47903	0.3
119.04906	0.4
121.02835	8.7
125.02353	1.4
128.03471	0.3
135.04416	0.4
136.01567	0.4
137.94815	0.4
139.03893	0.6
148.01547	0.5
149.02351	1.3
151.00269	43.5
152.00571	1.6
153.01846	0.9
159.04416	0.4
161.02362	0.8
163.00340	0.8
163.03941	0.8
164.01051	0.8
169.01340	3.0
171.01955	0.3
173.02396	0.4
174.03131	0.5
175.03926	3.6
178.99774	19.9
180.00099	0.9
187.03871	0.4
189.01907	0.5
191.03397	0.3
191.05548	0.5
192.00534	0.4
193.01363	1.0
194.78693	0.3
201.02020	0.4
201.05446	0.4
203.03525	0.3
205.04941	0.5
209.02675	0.8
211.03938	0.7
218.02130	0.7
229.05011	1.3
230.01779	0.4
243.02925	1.1
245.04547	0.9
255.02914	1.3
257.04529	0.9
258.13416	0.3
271.02396	2.7
273.03992	1.9
275.02066	0.6
299.02014	0.4
300.02698	4.4
301.03503	100.0
302.03842	8.1
371.07944	0.6
380.99075	0.9
463.08804	18.2
464.09253	2.3
494.27969	0.4
500.12082	0.6
506.39801	0.4
543.04529	23.3
543.12689	1.0
544.05060	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	541.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.1
60.91671	0.3
61.98708	1.9
66.32941	0.3
71.01252	2.6
72.99254	0.3
73.02833	0.9
78.68496	0.3
83.01286	0.5
85.02850	1.1
87.00782	0.4
89.02335	0.5
93.84141	0.3
95.01271	0.4
97.11655	0.3
98.13736	0.3
98.19762	0.6
101.02325	2.3
112.99565	0.3
113.02322	1.5
115.98339	0.3
125.02364	0.3
127.07639	0.3
132.44579	0.3
161.04482	2.0
173.21452	0.3
198.29669	0.4
205.90926	0.3
289.41083	0.4
319.22781	3.6
320.23267	0.8
353.35318	0.3
421.64603	0.3
423.27393	0.4
481.31985	3.7
482.32379	0.4
525.30573	1.7
541.33429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01252	100.0
60.01575	1.2
61.98705	8.2
71.01252	3.8
73.02824	1.4
81.89345	0.2
83.01277	0.6
85.02827	1.8
87.00764	0.3
89.02319	1.4
95.01292	0.3
99.00789	0.7
101.02330	3.8
113.02326	2.2
113.02982	0.2
118.36761	0.2
119.03422	0.7
125.02310	0.2
143.03387	0.2
159.02954	0.3
161.02435	0.2
161.04474	2.9
175.04022	0.4
209.11679	0.2
291.23077	0.2
317.21298	0.5
318.21707	0.5
319.22748	3.2
320.23141	0.4
481.31863	6.3
482.32455	1.1
482.46689	0.2
525.30878	1.0
541.26874	0.3
541.34119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
59.01253	9.5
60.01611	0.2
61.98704	100.0
63.97697	0.1
67.54993	0.2
69.03329	1.1
71.01254	2.3
71.04910	0.3
71.06873	0.4
72.99197	0.3
73.02826	0.5
78.95802	0.3
83.01265	0.2
85.02840	0.7
87.00755	0.3
89.02335	1.6
95.01230	0.2
97.02837	0.4
99.00775	0.5
101.02335	1.4
108.03914	0.2
108.19374	0.2
113.02348	0.9
119.03432	0.3
125.02353	0.6
143.03416	0.2
150.15677	0.2
151.03896	0.2
161.02452	0.2
161.04454	1.0
174.03191	0.5
175.03926	2.6
179.05592	0.2
185.00847	0.9
197.11771	0.4
209.11873	0.4
213.52374	0.2
219.13910	0.5
249.14987	0.2
295.02432	0.2
300.99988	0.2
309.11856	0.3
317.21182	0.4
318.21576	0.8
319.22006	0.6
320.22153	0.4
327.98672	0.2
438.51675	0.2
439.34399	0.4
483.29599	1.5
486.67700	0.2
525.27008	0.3
543.15546	0.3
543.28058	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	541.3018
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
50.55459	0.3
55.57232	0.3
57.03316	0.4
59.01249	100.0
60.01586	1.2
61.98706	1.4
71.01250	3.7
71.51067	0.4
72.99163	0.5
73.02828	0.7
73.75479	0.3
75.00761	0.7
75.98454	0.2
83.01267	0.4
85.02814	2.2
87.00752	0.5
89.02320	1.8
94.09952	0.2
95.01264	0.5
99.00771	0.6
101.02323	2.9
102.72177	0.3
103.00291	0.3
107.49479	0.3
111.04425	0.7
113.02332	3.6
119.03399	0.6
129.26213	0.3
139.00261	0.4
143.03400	0.5
153.01840	0.8
154.02655	0.5
161.04456	1.9
169.05026	0.9
175.03783	0.3
179.05518	0.5
188.76352	0.3
203.14505	0.4
221.06644	0.4
273.22198	2.3
291.19620	0.7
293.21564	0.3
301.21664	2.6
302.22018	0.4
305.17648	0.5
319.22760	42.8
320.23141	5.5
333.24390	0.4
343.22736	1.1
361.23822	0.6
373.23871	0.5
386.04126	0.3
481.31836	3.5
482.32520	0.4
541.26068	1.9
542.26831	0.6
542.34357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3016
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
58.00459	2.5
59.01250	40.0
60.12422	0.5
61.98695	4.7
62.82649	0.6
65.12850	0.6
68.99673	1.8
71.01252	2.7
71.04877	0.6
72.42333	0.7
72.99180	5.4
73.02811	0.7
75.00758	1.4
83.01247	0.6
85.02820	1.6
86.00002	0.8
87.00735	2.0
115.00303	1.1
115.07549	1.4
115.39573	0.6
116.01043	0.7
125.02177	0.8
127.11169	1.1
132.05345	0.5
147.63762	0.6
165.12733	0.8
174.01610	0.7
175.02415	3.6
183.13805	0.6
199.13330	1.7
291.19687	1.1
303.27005	0.7
305.24771	0.9
319.22714	2.6
333.24216	0.6
347.26031	0.6
361.23813	1.2
363.25443	4.0
377.26871	2.4
379.24667	3.0
391.24924	1.4
398.07562	1.9
407.27734	0.7
421.25955	1.4
423.27463	6.0
424.27640	0.7
427.24133	0.7
437.33170	0.8
439.26971	3.1
451.26843	1.2
479.29990	1.1
481.28210	1.9
495.66446	0.6
507.97922	0.6
523.29041	1.7
541.30194	100.0
542.30542	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	541.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50843	0.6
54.12214	0.6
57.03316	0.8
58.00465	3.1
59.01249	42.8
60.01589	0.7
61.98704	5.8
65.97729	0.6
68.99673	2.2
70.10528	3.1
71.01247	4.2
72.99180	5.3
73.02810	0.8
74.76204	0.5
75.00736	1.2
83.01185	0.6
83.04871	0.7
85.02808	1.5
85.99988	1.2
87.00749	2.7
96.95831	0.7
97.08854	0.6
98.19931	0.7
99.00713	0.8
100.98717	0.6
101.02335	0.8
104.73857	0.7
105.60194	0.6
106.06539	0.6
108.09518	0.6
113.02325	1.1
115.00238	1.7
115.07512	1.4
121.02838	0.7
127.03876	0.8
127.11172	1.5
165.12704	0.8
174.01575	0.7
175.02368	2.9
199.13388	1.4
211.04021	0.9
220.71176	0.7
234.74673	0.6
253.25421	0.7
280.85306	0.7
291.19733	1.5
303.26907	1.5
309.48215	0.7
319.22736	3.7
361.23959	1.2
363.25388	3.4
377.26764	1.5
379.25082	3.5
389.27057	1.0
391.24805	2.1
398.07666	1.4
399.07870	0.7
407.28091	0.8
421.26114	1.1
423.27539	6.5
439.27045	3.4
440.27524	0.8
451.27036	1.5
479.30109	1.8
523.28906	1.4
541.30249	100.0
542.30560	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	541.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.1
57.40555	6.3
59.01249	88.9
61.98697	83.6
71.01261	45.0
73.02817	57.9
74.98991	8.9
75.00733	11.5
85.02829	19.7
87.00748	25.6
87.04395	23.3
89.00545	13.8
89.02309	38.4
93.03351	17.0
95.01264	8.2
96.95893	10.0
101.02328	31.4
107.01268	7.8
107.04906	8.8
108.02063	59.7
111.00780	7.8
113.02330	18.1
117.42731	6.7
119.03416	12.5
123.00785	11.1
123.04423	45.5
125.02347	29.9
131.03281	6.8
135.02870	9.2
135.04427	52.1
135.05273	6.5
135.06538	22.7
136.01576	41.4
136.04749	19.1
137.02321	11.6
137.05983	7.7
138.37708	7.1
139.00244	14.3
151.00294	7.5
151.03920	71.7
153.01932	10.7
161.02322	23.7
165.05533	8.4
166.99770	8.2
167.03374	8.0
169.01294	16.0
173.04475	13.4
177.02112	11.2
181.05035	10.3
183.02873	13.0
187.09668	24.0
191.05534	28.3
195.02928	23.5
195.06473	10.2
201.11200	23.5
206.22743	7.7
275.01956	12.6
277.04968	14.8
279.06671	8.3
283.10507	7.9
297.11911	76.1
300.99789	22.7
305.04529	13.4
309.04144	8.1
323.05594	11.8
327.07184	8.8
339.80988	6.6
349.03564	10.2
367.04449	10.0
379.13022	9.2
389.10757	7.8
393.38684	7.5
481.22702	13.7
541.17603	26.2
541.25043	100.0
542.25653	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	541.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	68.9
61.98689	6.6
69.95635	8.9
69.96037	18.4
71.01247	48.2
72.99173	8.2
73.02821	6.0
75.00739	19.9
83.01246	5.1
85.02816	17.8
87.00787	6.1
87.04387	30.8
89.02328	49.4
90.31627	4.7
98.19785	5.9
101.02319	31.6
109.02849	6.2
111.00754	10.0
113.02322	15.7
119.03381	10.6
123.00745	7.6
123.04356	6.1
125.02316	12.5
130.33220	5.0
131.03374	7.5
135.06508	15.9
136.99005	7.3
139.00244	6.9
143.03354	6.8
161.02278	9.0
161.04460	7.3
169.01334	8.7
173.04543	5.2
176.00974	6.7
179.05580	9.8
191.05489	9.3
193.71379	4.7
201.11270	44.4
214.76244	5.0
214.99843	8.4
217.01460	6.1
258.01578	11.3
259.99515	13.3
274.01160	14.7
275.01865	19.7
286.98254	10.9
297.11911	100.0
300.99796	12.8
303.01407	7.1
333.02286	7.8
347.00385	5.1
349.18613	21.6
372.93353	5.2
389.01459	12.4
449.03583	47.6
481.06662	8.0
481.22699	11.0
509.05728	81.3
510.06067	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	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00997	0.9
57.03312	2.6
58.00465	3.1
59.00955	2.2
59.01252	43.0
60.99168	1.8
61.98702	10.2
69.03323	2.3
70.11362	0.9
71.01249	12.3
71.04898	1.1
71.51669	1.6
72.99165	1.3
73.02812	4.4
75.00741	2.3
77.70329	0.9
78.95815	1.2
81.03380	1.1
81.82651	1.0
82.04214	1.1
83.01259	2.3
85.02812	7.8
85.95597	1.0
87.00755	5.5
88.98674	14.9
89.02296	3.6
93.03329	5.0
95.01243	5.0
95.04908	12.0
99.00754	2.4
99.67858	0.9
101.02325	8.1
102.30949	1.0
104.26373	1.0
108.02056	19.6
109.02843	25.8
111.00753	2.2
113.02323	4.6
119.04898	2.7
120.99541	1.1
121.02811	6.4
121.10085	1.9
122.03612	3.6
123.00763	5.7
123.04414	9.6
125.02311	6.5
133.02850	2.2
134.03598	4.8
135.02905	1.6
135.04449	8.1
136.01460	1.8
137.02359	10.6
137.05984	12.2
139.00276	2.2
139.11159	5.1
140.01030	4.3
145.02840	2.9
147.04420	2.0
149.02341	17.6
149.06009	5.4
150.03134	76.7
151.00299	3.0
151.03767	4.0
152.01057	9.1
153.01846	5.1
153.05473	2.0
154.01396	4.0
155.03394	3.2
159.02962	1.0
160.01567	2.7
161.02382	7.7
161.04427	5.9
161.96210	1.0
162.03099	4.0
163.03909	3.5
163.07567	1.7
164.04723	6.3
165.05481	100.0
166.03989	1.0
166.05801	4.5
169.01338	4.0
173.02196	1.2
173.04416	3.0
175.00281	2.1
175.02544	1.3
175.03905	4.7
176.01042	1.6
177.01811	2.5
177.05441	3.0
178.02644	2.5
179.03435	6.9
180.04193	3.2
181.07109	2.1
181.08614	29.7
182.09059	1.7
183.10184	29.2
184.10493	1.2
189.01840	5.6
190.02626	3.8
191.03493	1.9
191.05547	2.8
193.04985	8.8
194.05357	3.2
195.06602	36.3
196.06950	1.9
197.07620	1.0
201.01929	1.1
205.05003	2.7
207.13727	1.2
209.04388	1.5
209.11786	2.1
217.01305	1.4
223.06093	2.0
225.14919	2.6
227.12808	12.7
228.13100	1.9
239.05426	4.9
249.33617	1.0
253.07159	2.2
299.07730	3.8
300.99884	2.5
308.03329	1.5
309.09927	3.9
325.03140	1.3
327.11038	1.7
341.06757	2.0
348.42953	1.1
349.03491	2.0
349.22308	2.8
359.13354	3.8
451.10385	2.1
523.21600	3.1
530.00604	1.1
533.72784	1.3
541.08765	2.0
541.23523	44.4
541.30481	1.8
542.22668	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	541.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39382	0.3
59.01250	2.1
61.26044	0.3
61.98698	2.7
62.33554	0.3
69.45960	0.3
69.46286	2.5
71.01238	1.1
73.02807	0.8
78.91741	0.5
85.02812	0.8
89.02326	0.5
96.95922	0.4
101.02336	0.6
109.02836	0.5
117.03373	0.4
125.02310	0.8
131.04900	1.0
132.02063	0.8
133.02859	0.7
134.03658	2.0
135.04321	0.7
137.02324	0.4
145.02849	1.0
147.04427	1.4
157.02831	0.5
158.03635	16.7
158.11652	0.3
159.04428	5.1
160.01570	3.8
161.02368	2.5
161.04532	0.4
171.04355	1.9
172.05173	0.4
173.02299	0.9
173.05943	0.4
174.03107	2.0
175.03914	21.3
176.01102	0.4
176.04263	1.7
179.03328	0.4
183.04478	0.5
184.05194	0.5
185.05928	0.6
187.03896	0.4
190.02626	0.6
191.07028	0.4
193.04976	1.7
195.04440	0.6
199.40234	0.3
201.01903	0.5
201.05464	2.2
202.02640	100.0
203.03175	8.2
205.04964	0.6
213.05577	3.1
227.03410	0.5
231.06525	0.8
235.06180	0.6
245.04539	1.1
261.05716	0.3
265.07059	1.0
275.05713	2.2
295.08243	1.0
314.04230	0.4
315.04999	0.4
323.07574	1.5
337.09293	1.4
361.01944	0.4
365.08737	4.3
366.09039	0.4
461.11005	0.7
481.31494	0.4
482.59665	0.3
497.14423	3.0
498.14481	0.4
509.10526	2.0
510.11493	0.4
541.13501	67.1
542.13824	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	539.3144
Annotation	Panduratin B
Peak:m/z	Relative Intensity
59.01246	2.2
61.98695	4.5
69.28618	8.2
96.48724	1.0
96.95852	1.1
103.12404	0.9
117.51349	0.9
121.07358	0.8
193.92867	0.8
239.07066	1.4
281.08176	2.6
289.05103	1.2
301.04987	2.9
317.04529	1.1
339.06662	1.0
345.04028	41.6
346.04166	5.7
355.05804	1.1
367.05972	2.4
370.04892	2.5
381.07654	3.0
384.06137	2.2
395.00522	0.8
395.05688	2.9
399.08652	11.3
400.09143	1.4
403.54663	1.0
413.06775	3.8
420.27646	1.0
441.09760	2.6
442.10541	25.6
443.11041	4.7
539.31451	100.0
540.31805	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	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51912	2.0
59.01246	5.6
61.98698	20.2
63.43179	2.1
69.25954	22.9
71.31821	2.2
72.21293	2.1
74.23930	2.0
82.13643	2.0
85.94469	2.3
105.48785	2.1
109.02805	2.2
131.21066	2.2
165.01843	9.6
193.01309	2.5
243.03001	2.2
271.02490	26.7
272.02814	2.4
294.51242	2.4
299.01944	50.2
300.02454	7.6
314.04285	60.7
315.04977	40.1
316.05405	3.7
330.04150	3.2
331.04416	4.6
477.10333	100.0
478.10559	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	540.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.9
60.01585	1.2
61.01684	1.5
61.98700	100.0
62.88104	0.3
63.55851	0.3
64.78204	0.3
71.01257	1.6
72.22754	0.3
73.02815	0.4
78.95786	0.7
83.01262	0.4
85.02831	0.5
87.00727	0.4
87.42633	0.3
89.02329	0.9
95.04934	0.3
98.19754	0.7
101.02351	1.2
113.02315	0.7
125.02319	0.6
135.04434	0.3
137.02333	0.5
140.00952	0.3
140.12111	0.3
147.04443	0.5
157.18205	0.3
161.04518	0.5
171.00266	0.3
175.03926	2.2
176.04291	0.4
191.03049	0.4
205.05106	0.6
206.05507	0.3
210.20645	0.3
228.04256	0.4
229.04510	0.3
291.03088	0.4
309.82339	0.3
319.22754	1.4
342.14365	0.4
364.06201	0.3
419.24213	0.3
480.29691	0.9
540.24817	0.9
541.26764	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	539.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	27.1
61.98710	2.4
69.59051	1.3
71.01245	0.7
72.99178	0.2
73.02795	0.2
84.10680	0.2
89.02298	0.6
96.95852	0.2
101.02326	0.8
119.03374	0.7
150.79266	0.2
161.02347	0.3
165.01874	0.2
169.01285	0.3
190.02632	0.5
205.04912	0.3
217.01259	0.2
227.91449	0.2
237.63142	0.2
240.50224	0.2
259.48093	0.2
301.85797	0.3
317.21188	100.0
318.21564	10.7
318.24988	0.2
331.22775	0.5
479.26535	1.4
480.26248	0.4
539.06665	0.3
539.22217	0.3
539.28522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3141
Annotation	Panduratin B
Peak:m/z	Relative Intensity
58.00911	3.8
58.46438	3.5
59.01247	39.1
61.98694	32.1
69.25661	4.0
69.94617	14.1
71.01245	7.6
78.95766	8.9
83.04895	3.4
85.02814	7.2
87.00728	4.9
96.95886	3.7
101.02322	6.0
103.74866	3.7
108.98484	3.2
113.02329	5.0
139.03876	6.8
140.25938	3.2
223.35028	3.5
317.21167	14.3
322.38672	4.0
345.03943	7.8
347.24219	4.6
397.07196	8.9
398.07782	5.7
483.03275	4.4
509.98941	4.7
539.31519	100.0
540.31696	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	539.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40025	0.5
57.03317	0.8
58.00470	0.6
59.01247	11.3
61.38948	0.6
61.98697	24.1
69.03340	1.0
69.07257	0.5
71.01254	6.8
71.51665	0.7
72.99184	1.0
73.02809	2.7
73.62330	0.5
78.95785	0.8
80.96370	0.5
83.01260	0.8
83.04878	0.8
85.02824	4.0
87.93568	0.6
89.02309	2.5
91.01764	1.7
93.03323	3.1
95.01260	0.7
96.95892	1.7
97.02837	0.8
98.00246	0.6
99.00780	0.9
101.02323	4.3
109.02811	0.9
113.02324	2.2
119.01256	4.8
119.03361	0.7
121.02837	5.2
123.04336	1.1
124.01495	0.7
125.02309	4.9
133.02838	1.0
134.03606	1.9
135.04387	2.2
137.02322	2.0
145.02812	0.9
147.00789	6.0
147.04370	1.1
149.02345	11.0
150.03113	1.2
151.03900	1.0
151.07539	0.5
152.01001	1.1
153.01808	0.8
160.37666	0.5
161.02309	1.1
161.04495	0.7
162.03119	1.0
163.03943	3.5
164.04695	9.8
165.01892	2.6
165.05380	1.4
165.09081	0.6
167.03406	1.6
169.01340	0.8
169.04962	0.6
175.00276	29.8
175.03802	2.8
176.00623	1.5
179.07095	1.7
181.05035	0.7
189.01878	1.0
190.02635	73.0
191.03006	4.6
191.05302	0.6
193.01208	0.9
205.04991	74.4
206.05388	4.8
207.02945	0.8
208.03644	1.8
209.04433	2.0
215.03468	0.6
223.06049	9.9
224.06393	1.0
240.07916	1.2
243.19658	0.8
251.05539	0.6
298.98340	0.8
299.99109	0.8
329.32001	0.6
347.20471	0.6
348.87314	0.6
477.10376	0.6
509.20313	2.4
524.22583	2.3
539.24927	100.0
540.25201	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	539.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86859	3.6
57.03314	6.5
59.01248	100.0
61.98696	21.4
68.99748	3.5
71.01257	68.4
71.27362	6.0
72.99192	6.1
73.02822	11.5
75.00742	26.8
83.01278	6.5
85.02821	11.6
89.02316	94.2
93.80177	3.8
96.95889	10.3
97.02823	9.7
99.00757	18.3
101.02319	37.7
107.01292	5.1
109.02815	4.2
113.02335	14.7
119.03413	6.4
123.00817	10.7
123.04461	5.5
125.02324	44.1
131.03387	13.9
135.04449	5.1
139.00278	8.7
140.01114	4.3
149.02386	7.5
149.04457	38.9
150.03131	6.2
151.00345	4.5
154.00659	4.5
161.04515	5.1
165.05424	7.5
169.01350	10.8
177.01881	5.2
183.10214	5.4
185.11728	19.2
191.05511	10.3
194.00919	6.6
195.01189	4.8
195.06586	7.8
207.10199	6.3
233.06644	20.7
271.04657	9.4
293.08798	67.3
294.09109	5.9
365.58575	4.3
387.16653	23.5
539.16571	52.5
540.18134	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	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.3
58.00472	4.6
59.01249	100.0
61.98692	13.0
69.34644	25.8
71.01251	56.0
72.99173	17.4
73.02811	13.3
75.00742	9.8
83.01272	7.4
85.02814	18.2
87.00787	4.9
87.04388	8.3
89.01768	4.3
89.02309	65.4
90.02612	2.8
91.00245	14.4
95.01270	4.8
97.02840	3.4
99.00761	8.9
101.02316	39.4
107.04915	6.7
108.02039	4.1
109.02809	4.8
113.02315	20.9
119.03391	16.3
125.02329	9.3
131.03389	43.5
131.04935	10.3
134.03624	6.5
134.15254	2.9
135.04436	6.3
137.02354	4.6
139.07581	3.1
139.11163	4.7
143.03383	4.5
147.04417	8.2
149.04474	18.5
149.06000	7.9
153.05475	2.7
160.01570	13.3
161.02328	6.6
161.04419	16.5
165.05432	5.5
169.01332	4.3
174.03175	13.7
175.03911	100.0
176.04077	3.2
179.05553	6.1
190.52805	3.6
191.05556	22.6
193.04977	9.1
194.87535	2.9
195.06544	4.2
201.11224	10.8
215.29770	2.7
225.11307	18.0
235.06117	7.6
243.12270	5.7
265.07306	3.6
315.18341	3.7
316.18225	2.8
329.16071	32.0
340.77405	3.7
347.16916	15.0
352.22186	2.8
355.10254	4.1
461.20383	8.7
479.21414	7.1
539.06934	4.5
539.21136	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	539.25
Annotation	Valtrate hydrine B3
Peak:m/z	Relative Intensity
50.93512	0.6
53.38923	0.5
55.01752	1.3
57.03325	2.3
59.01249	100.0
60.01587	1.3
61.98702	25.6
71.01254	11.6
71.04887	0.6
71.51631	0.7
71.52058	0.6
72.01476	0.5
72.99174	1.2
73.02814	4.2
73.14113	0.6
75.00764	1.3
78.95790	0.9
79.95619	1.2
83.01257	2.8
83.04915	1.1
85.02819	7.1
87.00755	1.4
89.02321	2.3
93.03351	1.1
95.01269	1.3
95.04930	1.2
96.95876	7.4
97.02820	1.0
97.06459	0.7
99.00760	1.7
99.04419	2.5
101.02316	8.9
109.02805	0.7
109.06482	0.7
113.02337	4.9
114.20308	0.6
119.01254	0.7
119.03323	0.7
120.18327	0.6
120.99535	0.6
121.02853	1.4
121.06505	0.8
122.03680	0.6
123.00778	0.8
123.04405	0.7
123.08071	0.8
124.01524	0.6
125.02329	3.0
125.05920	0.6
127.03864	0.9
135.04430	1.4
135.07994	0.7
137.02348	1.9
145.02866	0.9
145.92865	0.7
147.00769	1.0
147.04451	1.5
149.02371	1.6
151.03951	1.2
154.25117	0.7
159.02943	1.0
161.04457	4.4
164.04672	1.3
165.01851	1.3
165.05452	1.0
169.01352	1.1
174.03137	0.7
175.00288	2.5
175.03934	2.3
179.03491	0.9
179.07135	0.7
181.05016	1.5
189.12758	1.2
190.02660	9.6
191.03075	1.5
205.05016	8.7
206.05417	1.8
207.13826	3.1
209.11745	6.6
223.06056	1.0
225.14931	8.4
227.12833	32.8
228.13184	1.6
251.12904	0.8
269.10330	3.7
269.13763	1.3
287.14874	1.8
289.07187	0.9
299.98993	1.0
311.11316	0.7
315.05377	0.6
339.24823	0.6
361.00278	0.9
521.23773	9.7
522.24146	1.4
539.07733	2.3
539.24896	71.4
540.25232	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	539.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.6
59.00957	6.1
59.01252	100.0
61.98702	19.3
69.03339	4.2
71.01251	62.1
71.51215	6.0
72.99207	4.0
73.02811	14.0
73.73866	3.5
75.00748	24.8
83.01248	5.3
85.02808	12.2
87.00777	4.4
87.71765	4.1
89.02313	86.2
95.01254	8.8
97.02814	10.0
99.00742	14.7
101.02317	28.1
105.63943	3.8
111.94298	3.8
113.02316	16.9
115.03887	5.2
119.03386	9.5
123.00718	11.9
124.40935	3.4
125.02338	40.4
131.03392	14.4
135.04419	6.6
139.00209	7.8
139.03809	3.9
146.61359	4.6
149.02321	6.2
149.04460	35.3
151.00290	7.2
161.04422	4.4
165.05452	11.3
169.01352	16.6
175.53802	3.5
179.03362	4.2
185.11737	21.1
191.05527	15.4
194.00894	9.6
195.01068	5.4
195.06612	7.0
207.10170	7.1
207.57893	3.8
211.02391	9.9
224.94246	3.5
233.06563	11.9
243.12325	10.0
271.04639	8.1
272.04987	7.1
273.05130	9.0
293.08807	53.3
345.03851	3.9
363.05392	4.9
387.16641	31.6
539.17090	57.4
540.17694	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	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51167	0.1
55.01748	0.4
57.03324	0.3
59.01247	1.1
61.98708	0.9
63.35749	0.1
65.03845	0.2
69.03339	0.2
70.06002	0.4
71.01252	0.6
72.99169	0.2
75.00745	0.3
82.00478	0.3
85.02820	0.3
87.04378	2.1
89.02315	0.4
92.02558	0.3
93.03323	2.3
94.03667	0.2
95.01242	1.3
98.20536	0.2
101.02348	0.4
108.02058	2.5
109.02850	0.2
111.00751	0.2
113.02318	0.3
121.02898	0.3
121.06528	0.4
123.00787	0.6
123.04438	0.3
124.01562	0.4
125.02363	2.4
126.02696	0.7
127.02801	0.3
131.04889	0.2
134.03650	0.9
135.04384	0.2
136.25533	0.2
137.02322	0.2
139.00269	0.3
139.11177	0.4
147.04411	0.7
149.05980	100.0
149.99475	0.8
150.06328	4.5
151.00218	0.5
152.01019	0.3
152.04698	0.6
152.07130	0.2
153.01828	0.3
157.35634	0.1
159.04344	0.2
161.02318	0.3
161.04431	0.3
163.03874	0.2
167.07082	0.6
167.37376	0.2
168.00578	1.1
169.01326	2.7
170.01810	0.9
171.01775	0.8
175.03897	1.6
176.04257	0.5
177.01762	0.2
178.02684	0.2
183.10182	0.4
193.04984	32.5
194.05321	1.5
195.02960	0.2
201.11226	1.8
205.05032	0.3
211.06071	0.9
212.89317	0.2
257.04498	0.2
317.60309	0.2
333.06937	0.2
337.09171	1.0
355.10306	18.0
356.10669	1.5
425.49692	0.2
508.17264	0.3
539.13062	2.9
539.21204	16.2
540.13696	0.3
540.21680	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	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
57.03310	0.2
59.01249	1.4
61.98696	1.1
62.12293	0.1
65.03816	0.3
66.48120	0.1
67.01766	0.2
69.03339	0.5
71.01251	0.9
71.04875	0.2
71.51058	0.2
71.51431	0.1
73.02824	0.4
73.32705	0.1
75.00745	0.2
81.03331	0.3
82.00500	0.2
83.01240	0.3
85.02839	0.5
87.04388	1.9
88.03899	0.2
89.02290	0.3
92.02551	0.3
93.03327	2.5
95.01260	1.3
97.02841	0.4
98.02357	0.1
101.02306	0.6
107.01270	0.4
107.04913	0.2
108.02053	2.2
109.02829	0.5
111.00780	0.4
113.02299	0.4
116.24306	0.1
119.03313	0.1
119.04914	0.2
120.42083	0.1
120.88883	0.1
121.02834	0.4
121.06490	0.5
123.00792	1.1
123.04395	0.4
124.01618	1.1
125.02348	6.4
126.01903	0.2
126.02706	1.8
127.02751	1.1
131.04808	0.2
133.02809	0.2
134.03644	1.0
135.04417	0.4
136.01418	0.1
136.98987	0.1
137.02332	0.3
139.00244	0.5
139.11220	0.3
145.02829	0.1
146.08086	0.2
147.04443	0.8
149.05981	100.0
149.99480	1.7
150.03011	0.1
150.06326	5.0
151.00124	0.7
151.03949	0.2
151.99959	0.4
152.01038	0.4
152.04675	0.5
152.07051	0.6
153.01845	0.4
160.01640	0.2
161.02379	0.4
161.04419	0.2
163.03928	0.2
164.04794	0.2
165.01799	0.2
167.03407	0.2
167.07066	0.6
168.00557	3.3
169.01328	6.8
170.01599	1.6
171.01807	1.8
174.03145	0.3
175.03923	3.4
176.04271	1.5
177.01842	0.1
177.05440	0.1
178.02663	0.1
179.03398	0.3
181.08592	0.3
183.10133	0.3
190.02652	0.6
191.03181	0.3
191.05515	0.2
192.00539	0.2
192.06517	0.3
193.04987	29.5
194.05319	1.3
201.11247	1.7
205.05008	0.5
206.05426	0.2
211.02466	0.2
211.05916	0.6
218.10278	0.3
219.10515	0.1
223.06174	0.1
280.99969	0.1
300.99942	0.2
301.04526	0.2
313.05801	0.2
315.06326	0.2
331.06644	0.3
332.07217	0.4
333.07074	0.5
337.09210	0.5
352.88989	0.1
355.10315	14.7
356.10690	1.5
357.14612	0.2
539.12964	5.7
539.21234	13.8
540.13031	0.6
540.21393	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03317	0.6
58.00470	0.8
59.01249	13.6
61.98704	3.8
67.01756	1.2
69.03322	0.4
69.58717	2.2
69.59138	0.7
71.01253	11.4
72.99180	1.7
73.02814	4.6
75.00739	5.2
79.01746	0.9
83.01250	3.9
85.02820	6.1
87.00761	2.4
87.35432	0.4
89.02304	5.0
91.05396	0.5
93.03328	1.3
95.01271	2.6
95.04895	1.8
96.95878	0.9
97.02827	1.0
99.00750	1.4
101.02322	10.1
107.01245	3.3
107.04906	1.6
108.02058	1.1
109.02827	1.8
109.99922	0.4
111.00758	3.3
113.02332	4.0
117.03366	0.6
119.03374	1.9
119.04899	0.7
120.99571	0.6
121.02837	3.4
122.03635	2.0
123.00769	13.5
123.04388	1.6
124.01520	1.7
124.04960	0.4
125.02334	15.7
126.02687	0.4
127.00258	1.8
131.03357	0.6
132.02055	0.6
132.47238	0.4
133.02841	3.3
134.03658	1.9
135.04404	11.1
136.05135	0.9
136.98729	0.9
137.02344	2.0
137.05968	1.2
138.02988	0.5
139.00256	5.4
139.03874	0.8
140.01080	2.3
141.01849	2.0
145.02856	4.7
146.03596	1.7
147.04347	0.5
149.02342	12.9
149.05942	2.1
150.03133	18.0
151.00282	9.4
151.03941	2.0
152.00897	0.5
153.01842	0.8
153.05441	0.8
155.10716	0.5
158.50972	0.4
159.03023	0.5
161.02325	0.8
161.04443	1.1
161.05940	1.1
162.03113	0.7
163.00328	0.4
163.03888	1.7
164.04697	3.8
165.01825	0.9
165.05479	13.4
166.02560	0.6
166.06316	1.9
166.99736	0.7
167.03482	0.5
167.06947	0.6
168.00551	3.6
169.01326	21.4
170.01706	1.0
175.00258	1.1
177.01857	0.5
177.03976	0.7
177.05437	1.0
179.03372	0.8
179.05528	1.2
179.07008	1.0
180.04141	0.8
181.04941	3.9
181.08604	5.3
181.21625	0.3
187.09654	0.6
190.02632	2.9
191.03520	0.5
193.05022	0.7
195.06564	12.9
195.40903	0.4
196.06981	0.8
201.11255	0.6
205.05025	3.5
209.04489	0.5
211.02415	4.7
216.56935	0.5
221.04431	0.7
223.06041	2.2
225.14949	0.4
235.06052	2.0
261.13489	0.8
271.04593	4.0
271.09552	0.5
283.09918	1.0
297.11841	4.5
300.99887	0.8
311.09366	0.8
313.05630	1.4
314.11560	2.4
315.12292	0.9
329.13879	5.4
330.14215	0.7
341.10297	4.9
342.10651	0.9
343.11713	2.5
343.14160	2.6
344.12296	0.6
347.11267	1.3
359.11475	0.9
367.10062	0.6
377.12268	3.4
378.12384	0.4
391.13934	4.2
392.14468	0.8
419.13388	0.5
465.20251	0.5
479.21240	0.5
491.19211	42.3
492.19498	6.4
495.12057	0.6
503.17667	4.2
504.18079	0.5
539.21338	100.0
540.21722	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	539.2131
Annotation	Erizomycin
Peak:m/z	Relative Intensity
54.41304	0.3
55.01745	0.7
57.03320	0.8
59.01249	4.0
61.98716	0.5
65.00190	0.6
67.01744	0.8
69.03317	0.6
69.20886	3.4
71.01260	4.1
72.99181	0.6
73.02830	1.0
75.00757	2.2
79.01766	1.2
79.10159	0.3
83.01250	1.0
85.02834	1.7
87.00769	0.8
89.02322	1.2
89.53960	0.4
93.03345	0.3
95.01247	2.8
96.95897	1.2
97.02824	1.5
99.00754	0.4
101.02325	2.1
107.01268	4.2
108.02118	0.3
108.12237	0.3
109.02802	0.7
111.00785	2.3
113.02322	1.3
123.00774	16.1
124.01611	0.6
125.02341	20.1
126.02665	1.1
127.00250	1.0
136.98689	1.5
137.02335	0.4
138.06761	1.3
139.00279	5.1
140.01082	3.0
141.01875	1.9
149.02354	0.6
149.91672	0.4
151.00284	13.0
151.03926	0.4
153.01828	1.1
153.09166	2.2
154.09468	0.3
163.03902	0.5
166.99832	0.4
168.00560	3.9
169.01343	28.0
169.79120	0.3
170.01712	1.3
179.03526	0.4
181.04950	0.5
182.38135	0.3
209.04530	0.4
211.02399	3.0
223.02379	0.5
225.14890	0.7
244.29269	0.3
253.03433	0.5
271.04648	2.2
313.05630	2.1
329.05429	0.4
402.33267	0.4
503.50308	0.4
539.21313	100.0
540.21649	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01247	3.9
61.98697	4.9
71.01250	2.9
72.99167	1.3
73.02813	0.7
75.00735	2.0
78.95775	1.0
83.01253	0.6
85.02850	0.9
87.00760	0.6
87.04366	0.3
89.02294	1.1
93.03325	1.2
95.01282	0.4
96.95879	0.7
97.02843	0.5
99.00755	0.4
101.02301	1.4
107.04893	0.6
108.02072	1.7
109.02847	2.4
111.00751	0.8
113.02333	1.0
119.04923	0.6
121.02843	2.0
123.00754	1.1
123.04382	2.2
124.01540	0.4
125.02346	3.2
132.45387	0.3
133.02853	1.7
134.03624	45.8
135.03015	0.4
135.04243	1.8
135.08119	0.4
137.02332	10.2
139.00290	0.5
139.03902	3.7
145.02888	0.5
149.02354	1.1
149.05978	17.6
150.03120	1.6
150.06320	1.0
151.00247	0.6
151.03920	1.5
152.01041	1.0
153.01843	1.0
153.05484	2.3
159.04457	0.4
160.01556	1.5
161.02312	1.0
161.04443	0.7
163.03885	0.8
163.59845	0.4
165.01819	1.0
165.05475	0.8
168.00542	0.8
169.01361	1.9
173.04495	0.9
175.03914	2.7
176.01141	0.5
177.01801	0.9
177.05531	0.5
178.02623	31.7
179.03085	1.8
180.04216	0.5
190.02570	0.6
191.03600	0.7
191.05476	0.6
193.04984	100.0
194.05299	6.1
195.02870	0.4
195.06534	1.2
205.05019	0.5
211.02394	0.6
242.07666	0.4
265.06842	0.4
271.04547	1.4
275.02151	0.5
277.04984	0.6
298.98080	0.3
301.00076	0.7
301.03256	0.5
305.04550	0.8
306.05280	3.8
321.07590	2.4
322.08136	0.6
331.06528	0.5
337.09265	0.6
347.20703	0.6
355.10437	1.0
365.06516	0.9
380.63760	0.3
539.21356	13.4
540.21570	2.7
540.29059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96067	0.3
59.01249	3.9
69.45534	0.8
69.45953	1.3
71.01246	0.9
73.02813	0.9
75.00737	0.4
81.03311	0.3
85.02831	0.4
89.02326	0.5
91.05410	5.5
93.03338	2.0
95.04872	0.5
107.04902	16.4
108.02036	1.5
109.02834	2.3
109.06477	1.0
117.03368	0.3
119.04908	1.6
121.02838	3.2
122.03635	0.9
123.04409	0.5
124.01583	0.3
125.02329	0.8
134.03624	5.2
135.04410	100.0
136.04738	4.1
137.05975	8.5
145.02847	4.5
146.03656	1.8
147.04419	0.4
149.02341	1.3
149.05984	5.8
150.03120	6.5
151.03941	1.6
151.04929	0.3
152.01065	1.2
153.01857	0.6
161.04608	0.4
161.05965	1.7
162.03113	0.3
163.03946	0.4
163.07486	0.4
164.04721	1.2
165.05498	5.3
166.05893	0.3
167.03493	0.4
169.01218	0.4
177.05467	0.5
179.07022	2.2
180.04123	0.4
181.04971	19.8
181.08566	0.6
182.05316	1.2
195.06543	9.6
196.06857	0.5
207.06468	0.4
235.06047	8.0
236.06345	0.4
248.28470	0.4
253.07063	1.3
269.08264	0.3
297.11966	0.7
329.10272	9.1
330.10617	0.7
341.10312	4.6
342.10492	0.5
343.10312	1.8
359.11349	14.9
360.11661	1.6
377.12396	13.3
377.17346	0.3
378.12820	1.6
491.15894	0.7
521.13019	0.6
539.18201	3.5
540.18042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1771
Annotation	8-Feruloylharpagide
Peak:m/z	Relative Intensity
52.41549	0.3
59.01247	5.6
71.01266	0.9
71.27377	0.6
71.27723	0.4
72.97434	0.4
73.02818	1.0
89.02329	0.5
91.05402	5.9
93.03325	2.3
95.04877	0.4
96.95914	0.3
101.02263	0.4
106.04111	0.5
107.04906	18.6
108.02059	1.6
108.05270	0.5
109.02849	2.8
109.06464	1.3
111.00756	0.5
117.03345	0.6
119.04915	1.8
121.02847	3.3
122.03675	1.0
123.00790	0.5
123.04408	0.9
124.01569	1.0
125.02332	1.0
133.02875	0.4
134.03625	6.1
135.04411	100.0
136.04747	4.3
137.02382	0.7
137.05981	9.5
142.85989	0.3
145.02846	3.7
146.03648	2.1
147.04413	0.5
149.02342	0.7
149.05984	6.1
150.03116	4.8
151.03908	1.9
152.01062	0.7
153.01892	0.3
160.01564	0.4
161.05962	1.5
162.03200	0.7
163.03941	0.5
163.11143	0.4
164.04686	1.4
165.05461	4.6
169.01520	0.4
175.03983	0.4
175.17169	0.3
177.05486	0.7
179.07063	1.8
181.04980	22.5
182.05305	1.0
193.04996	0.9
195.06552	8.8
196.06897	0.6
202.02815	0.3
207.06523	0.6
235.06087	6.9
235.08305	0.5
236.06427	0.5
248.95139	0.3
253.07175	1.2
315.14816	0.4
329.10306	9.9
329.14212	0.5
330.10498	1.0
341.10367	4.5
342.10785	0.7
343.10312	2.9
359.11353	11.6
360.11682	1.4
377.12393	21.4
378.12674	3.0
423.13406	0.3
491.15356	1.7
494.71872	0.4
503.17957	0.7
539.17993	4.0
540.17816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
61.98709	0.6
63.02253	1.0
63.07994	0.4
65.00210	0.8
68.99688	0.5
70.98421	1.0
74.52834	0.4
91.71691	0.4
94.89307	0.3
97.02827	1.0
108.50481	0.4
117.03331	0.6
119.01260	2.3
124.01548	45.9
125.01879	0.7
132.02068	1.0
136.01518	1.1
138.03130	1.3
139.03905	100.0
140.04242	4.3
143.01254	1.3
153.05431	0.9
160.01570	1.7
163.00298	0.5
165.01816	1.7
171.04424	0.5
175.03908	10.0
176.04233	0.7
193.01416	0.9
204.00607	1.1
208.03542	0.6
219.02916	2.6
221.06032	1.5
222.06621	0.5
226.06291	0.6
227.07120	0.9
235.07657	0.8
249.05569	3.7
253.04877	0.9
255.11719	0.6
263.07114	1.5
264.07919	1.4
269.08176	1.2
295.11218	0.6
299.10721	3.8
311.10696	1.1
312.11499	0.7
320.52484	0.5
323.10760	1.8
339.10175	1.8
340.11075	2.7
355.13379	17.7
356.13736	2.6
399.12332	22.6
400.12646	3.7
511.27390	0.5
539.17120	48.7
540.17426	10.4
540.25751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15594	0.4
59.01244	1.3
61.98696	1.3
62.27017	0.4
63.02206	0.5
66.13052	0.5
69.21856	4.4
81.95471	0.5
84.34710	0.5
85.33805	0.4
121.02841	0.6
135.04417	0.6
139.03857	0.8
141.46606	0.5
145.02798	0.4
161.02419	3.0
163.00278	0.5
165.01875	0.6
172.69119	0.6
174.03174	0.5
175.03903	1.4
187.03847	0.9
189.01814	1.6
194.14362	0.5
203.10666	0.7
211.03931	1.3
213.05626	0.5
215.07053	1.0
216.09456	0.6
223.07590	0.6
224.04727	7.2
225.05365	1.7
235.07695	0.6
236.04762	0.5
237.05507	1.8
238.06274	4.7
239.07076	13.2
240.07440	1.2
240.26566	0.5
245.05992	0.9
251.07103	2.6
252.04369	1.3
252.07874	4.6
253.08691	2.7
261.05670	0.9
263.06973	0.8
264.04236	1.1
265.05170	1.3
266.05539	0.8
267.06561	5.3
268.07278	0.9
269.08130	1.7
270.05316	0.8
271.09735	0.9
273.05460	1.1
277.08664	0.6
279.06491	1.3
280.07230	1.3
281.05048	1.0
281.08157	20.5
282.08539	1.6
289.05026	1.2
292.03760	2.1
299.03485	0.6
301.05121	6.6
302.05331	1.0
307.06140	9.1
308.06448	1.2
317.04456	3.5
326.05872	0.7
329.04465	1.5
331.13553	0.5
338.05823	0.8
339.06671	1.9
340.07376	0.9
341.04498	1.0
341.08133	0.8
342.05307	0.7
343.05942	0.7
344.03241	1.6
345.04007	50.1
346.04395	6.3
347.05432	1.5
349.14523	0.7
350.05716	0.8
351.06628	1.1
353.04492	0.8
353.08417	0.9
354.05273	1.0
355.05826	0.7
355.09824	0.6
357.03986	2.0
358.04742	1.9
359.05490	1.1
363.06686	0.9
365.04129	1.0
365.08115	2.2
366.05185	6.4
366.08963	0.7
367.06030	6.0
368.06516	1.5
369.07639	1.2
370.04630	5.1
371.05350	2.1
372.06216	0.9
374.03690	0.6
377.08081	1.1
378.05270	2.3
379.05948	1.5
379.10089	1.0
380.06888	1.9
381.07663	12.8
382.08008	1.6
383.05396	1.6
383.09357	2.1
384.06195	3.8
385.07007	3.2
386.07880	4.2
387.08621	0.6
393.03989	2.3
394.04413	2.3
395.05151	6.2
395.09418	1.6
396.06107	2.0
396.10452	1.0
397.06931	1.0
398.07959	2.1
399.08734	23.7
400.08945	3.2
407.09332	0.9
409.06509	0.6
411.04837	1.2
413.06360	7.3
414.06705	1.3
414.11230	2.3
415.12000	0.7
423.08722	5.9
424.09348	2.8
425.10321	1.2
427.08081	0.9
440.08865	2.4
441.09787	14.6
442.10550	100.0
443.10928	16.4
475.15866	0.9
495.14319	0.9
503.15353	1.4
521.16168	7.9
522.16357	1.6
539.17206	13.5
539.24969	0.9
540.17371	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	537.3068
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
55.01754	0.4
57.03316	0.4
58.00468	0.2
59.01248	100.0
60.01588	0.8
61.98700	1.9
65.19669	0.2
69.33275	2.1
69.35049	0.2
71.01247	8.1
73.02820	3.2
83.01269	0.9
85.02819	4.0
85.68604	0.2
89.02327	1.9
90.86596	0.2
95.01275	0.5
97.04546	0.3
99.00759	1.2
101.02316	6.8
113.02330	4.0
113.03069	0.3
119.01241	0.3
119.03381	0.4
125.02333	0.7
143.03447	0.6
149.02353	0.4
149.04378	0.2
149.56262	0.2
159.02867	1.3
161.04460	7.9
161.19853	0.2
162.04857	0.3
165.01819	0.2
166.14001	0.2
168.00552	0.2
175.00363	1.2
190.02635	2.9
205.05028	3.1
206.05357	0.3
207.55284	0.2
208.03583	0.3
223.06149	0.4
315.23352	0.4
327.39893	0.3
422.94644	0.3
477.28543	11.9
478.28952	1.7
537.23572	2.8
537.31067	0.9
538.24408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29756	0.3
57.03338	0.4
59.01245	4.5
61.98700	100.0
66.87754	0.3
69.03336	0.3
69.26168	2.5
71.01260	0.7
73.02831	0.4
78.95799	0.4
83.01256	0.5
83.04887	0.4
85.02843	0.4
85.33289	0.3
87.04438	0.3
88.05625	0.3
89.02304	0.7
91.75872	0.3
95.57832	0.4
96.95915	0.3
98.19836	0.5
101.02318	0.6
109.02850	0.9
113.02282	0.3
121.02785	0.4
123.00784	0.3
123.04438	0.6
123.67700	0.3
125.02336	1.4
135.04462	0.3
137.02333	1.1
141.67242	0.3
145.02821	0.4
147.04463	0.5
149.02374	0.6
151.03922	0.5
161.02359	0.4
162.01231	0.4
168.00644	0.4
174.03168	0.5
175.00282	0.8
175.03888	2.0
190.02634	1.9
191.03114	1.0
205.05029	2.4
206.05351	0.8
223.13409	0.4
224.68312	0.3
267.12494	0.4
277.02243	0.3
289.07068	0.4
299.98840	0.6
300.99710	0.8
314.07574	0.4
315.19733	1.4
316.20053	1.0
379.78149	0.3
405.24802	0.5
445.10672	0.4
537.22913	0.7
537.29974	0.4
538.22754	2.4
538.30798	0.6
539.08191	1.0
539.24908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00734	1.7
55.01749	5.7
57.03314	3.2
59.01249	55.2
61.98702	17.7
63.27108	1.3
69.03338	3.3
69.19106	16.2
69.80714	1.4
71.01253	63.1
72.48769	1.5
72.99162	4.1
73.02819	24.9
74.93446	1.4
75.00727	2.0
81.03378	1.5
83.01264	11.0
85.02819	29.7
87.00728	4.0
89.02316	16.4
93.79520	1.7
95.01266	5.1
97.02821	3.5
99.00739	6.0
101.02323	52.5
107.01223	2.5
108.02042	2.7
109.02831	2.6
111.00754	3.9
113.00475	1.4
113.02325	29.4
119.03390	6.5
122.05983	3.6
123.00768	2.8
124.01585	2.1
125.02352	15.0
131.07040	2.6
133.02797	1.9
134.03644	10.9
134.04489	1.7
135.04433	2.3
137.02339	3.7
139.00218	2.7
140.01086	2.7
143.03374	4.2
149.05994	4.6
151.00270	3.8
154.01378	2.3
159.02907	6.2
161.04454	30.6
168.00526	4.9
169.01343	14.0
175.03885	6.4
177.04010	2.0
178.02654	7.8
179.03355	2.1
179.05513	3.0
183.13788	2.4
193.01260	4.6
193.04987	26.0
194.05252	2.1
211.02377	5.5
271.04691	6.1
293.12350	1.8
315.18063	14.2
345.19180	5.2
348.79489	1.5
356.79822	1.6
361.14709	1.7
370.29547	1.9
375.27493	5.2
477.23410	100.0
478.23764	17.6
505.17621	1.7
519.20282	4.0
537.19556	33.0
537.32581	6.0
538.19202	9.3
538.63416	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	537.2985
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
59.01230	17.6
61.98686	12.0
67.01769	4.0
70.89838	7.1
70.90162	5.9
71.01252	10.5
78.12287	3.8
80.96381	4.3
85.02821	8.0
93.03334	8.4
109.82600	4.1
111.04419	7.6
119.48735	3.7
155.03395	5.5
166.21118	3.9
172.05171	7.7
173.04469	17.2
184.35268	4.4
191.05496	14.1
255.13873	5.0
283.13376	50.0
284.13730	8.3
293.21170	23.7
301.14459	9.1
327.16034	13.4
345.17123	8.6
371.15082	4.3
399.14987	7.0
462.75604	5.1
516.42065	4.2
537.30457	100.0
537.75378	16.9
538.29999	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52401	0.8
55.01757	1.7
57.03319	6.9
59.01247	100.0
60.01558	0.7
61.98698	2.9
65.00187	6.4
67.01774	1.3
69.03336	1.1
71.01251	17.5
72.99181	3.0
73.02812	8.5
74.98969	1.5
75.00735	1.3
79.01779	0.9
81.03336	1.9
83.01252	9.9
85.02809	9.0
85.03201	0.7
87.00764	2.5
87.04408	1.8
89.02306	9.7
93.03343	0.9
95.01263	2.4
96.95855	1.1
97.02840	2.2
99.00769	2.5
99.04408	2.6
101.02318	13.6
102.98476	2.4
105.05453	4.8
107.01265	13.5
109.02847	2.3
111.00790	2.8
113.02318	10.5
119.03400	3.1
119.04938	0.8
121.02858	2.6
123.00783	11.5
123.04381	1.4
124.01573	3.8
125.02333	39.2
126.02669	1.2
127.00252	0.8
135.02924	0.9
135.04407	2.1
135.98311	0.9
137.02350	3.0
139.00290	3.9
139.03877	5.4
140.01080	1.6
141.01819	2.0
143.03444	1.3
143.10739	0.8
147.06560	1.1
149.02330	12.0
150.03082	2.3
151.00267	46.9
151.03873	1.1
152.00850	2.1
153.01849	1.7
153.05530	1.1
159.02957	0.7
161.02333	1.3
161.04451	6.3
162.99135	0.7
163.03935	1.9
164.04712	7.2
165.01836	2.1
165.05467	2.3
165.12781	0.8
166.99709	0.8
167.03401	1.6
168.00539	5.9
169.01335	42.8
169.04956	5.1
170.01711	1.6
173.02339	1.0
173.04503	0.9
175.00250	5.5
175.03973	2.3
176.01089	2.5
177.01826	1.7
179.03433	1.5
179.05685	0.9
179.07106	1.6
183.02962	3.9
190.02641	9.4
191.03444	5.9
191.05344	1.7
193.01357	3.4
205.04991	10.2
206.05800	5.0
207.02898	2.0
207.13887	2.6
208.03662	1.5
209.04491	2.6
209.11742	4.9
211.02397	6.6
221.08170	3.1
223.06035	8.8
225.14896	7.8
227.12830	31.1
228.13210	1.9
237.07715	1.9
249.09746	6.9
250.04758	1.8
251.05556	1.3
265.07150	7.3
267.10849	9.8
269.14005	2.3
271.04630	4.1
281.06763	0.8
286.21518	0.9
287.14993	1.7
295.08298	2.1
300.99857	1.7
307.88818	0.8
309.11902	2.7
311.07822	1.8
313.05670	3.2
319.73602	0.7
325.09515	2.8
331.06693	2.1
332.18192	0.8
353.08801	6.0
354.09009	1.0
367.10175	1.4
370.34094	0.9
371.09830	2.0
389.25613	2.2
477.10376	1.0
477.23331	0.9
519.24585	7.4
520.24719	1.1
537.12622	87.7
537.25507	84.1
538.12921	12.9
538.25854	13.6
548.15790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60384	0.3
57.03315	1.1
57.77319	0.3
59.01247	9.6
60.99171	0.4
61.98700	4.2
65.00201	0.9
71.01251	7.5
71.45266	0.5
71.45607	0.4
72.99172	1.1
73.02797	2.0
75.00744	27.5
83.01266	1.4
85.02828	3.6
87.00769	0.9
88.98671	6.4
89.02314	4.1
91.01742	3.9
93.03334	2.7
95.01262	0.5
95.04865	0.5
99.00751	1.0
101.02331	3.4
107.04884	1.1
108.02057	2.5
109.02831	1.2
113.02347	2.3
119.01267	5.5
119.03434	0.6
119.04887	0.8
121.02856	4.1
123.00761	0.6
123.04381	1.0
125.02336	1.5
131.03389	0.7
133.02853	0.8
134.03613	1.7
135.00763	1.5
135.04402	2.7
137.02356	3.1
139.11183	0.8
145.02835	0.4
147.00777	7.5
147.04390	0.7
149.02344	11.3
149.04410	1.1
149.05896	0.5
150.03058	1.2
151.03894	1.0
152.01053	3.3
153.01822	0.4
156.71565	0.4
161.02368	1.6
161.04491	0.5
162.03073	1.1
163.03941	4.4
164.04678	8.2
165.01830	2.7
165.05443	1.2
167.03362	0.6
169.04991	1.5
170.01448	0.4
174.03024	0.5
175.00279	37.3
175.03870	1.6
176.00676	1.9
177.01884	1.0
179.07077	1.6
183.10191	5.2
189.01913	0.8
190.02635	85.3
191.03090	5.3
192.09552	0.4
193.01385	0.7
205.05000	75.0
206.05334	4.2
207.02933	1.1
207.06538	0.7
208.03654	1.1
209.04497	2.7
223.06062	12.5
227.16570	1.1
243.06598	10.4
244.06923	1.4
251.05556	0.7
266.51459	0.4
271.02533	0.8
275.97531	0.4
287.22232	1.3
299.01984	1.1
299.99036	0.5
314.04309	1.4
327.13019	0.7
350.70547	0.5
375.05087	0.8
376.05551	0.6
447.09125	2.2
507.18707	2.5
522.21008	2.9
537.23358	100.0
538.23676	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	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21929	0.5
57.03313	0.9
59.01251	13.5
61.98703	4.8
69.03335	1.5
71.01250	9.2
71.22392	0.8
72.99208	0.8
73.02806	2.6
75.32101	0.6
78.95759	1.1
83.01257	1.3
85.02827	3.5
87.00746	0.9
89.02312	3.0
91.01740	2.5
93.03358	2.1
95.01262	0.8
97.02846	0.6
99.00752	0.8
101.02332	5.3
107.04916	0.7
108.02044	0.6
109.02827	0.7
113.02331	3.0
119.01264	7.2
119.03411	0.9
121.02811	3.3
123.00762	1.1
124.01508	0.7
125.02316	1.7
133.02797	0.7
134.03615	1.6
135.04405	2.2
137.02306	1.7
147.00783	6.8
147.04440	0.9
149.02338	14.8
150.03107	2.2
151.00261	0.7
151.03877	0.5
152.01048	2.1
153.01671	0.5
161.02338	1.1
161.04457	0.9
162.03076	0.5
163.03925	3.9
164.03453	0.8
164.04712	11.3
165.01862	2.9
165.05353	1.4
166.99788	1.2
167.03412	1.0
168.00505	1.5
169.01283	0.7
169.05006	0.8
174.03040	0.5
175.00278	40.9
176.00581	1.4
177.01820	0.9
177.05475	0.8
179.07082	3.1
183.10175	2.1
189.01901	0.7
190.02637	97.5
191.03027	6.1
193.01320	0.9
194.02051	0.8
205.04999	99.5
206.05350	6.2
207.02924	0.9
208.03706	1.6
209.04439	1.8
209.05956	1.0
221.08163	0.6
223.06058	23.2
224.06429	1.3
265.07220	1.9
271.06143	1.0
295.08041	0.5
299.98938	0.6
300.99985	0.5
325.09381	0.6
367.10181	0.6
375.27744	0.6
420.98132	0.9
440.07565	0.7
477.27615	0.7
507.18942	0.6
510.14417	0.5
522.20831	2.8
537.23383	100.0
538.23712	15.4
538.29858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
57.03327	1.1
58.00453	0.8
59.01249	17.3
60.01572	0.6
60.99174	10.6
61.98695	4.1
62.78844	0.5
65.00199	0.7
69.03322	2.8
71.01249	15.6
72.01585	0.5
72.99173	1.1
73.02821	3.9
75.00754	2.6
81.03312	1.5
83.01252	1.9
85.02831	5.2
87.00737	1.7
88.98676	60.6
89.02318	12.5
89.99013	1.0
91.01764	1.2
93.03334	4.7
95.01266	1.7
97.02827	2.6
97.38506	0.4
99.00751	3.3
99.04356	0.9
101.02320	6.4
107.01266	0.8
107.04895	1.1
108.01360	0.8
108.02050	7.4
109.02831	6.4
113.02315	3.3
115.03884	1.2
117.03300	0.6
119.01263	3.7
119.03391	0.6
119.04933	0.5
121.02810	4.4
122.02391	0.7
123.00765	1.0
123.04412	1.3
125.02332	9.7
131.03363	1.0
133.02827	1.6
134.03592	1.4
135.00754	2.2
135.04395	3.0
137.02338	7.6
137.05745	0.5
139.00235	1.3
145.02861	1.4
145.05437	0.6
147.00768	5.0
147.04440	0.6
149.02342	9.7
149.04433	1.5
149.05936	0.8
150.03052	1.1
151.00366	0.4
151.03853	1.4
152.01041	10.9
153.01839	6.4
160.01680	0.5
161.02362	3.2
161.04433	1.0
162.02670	2.7
163.02783	1.4
163.03937	3.8
164.03308	0.9
164.04691	7.6
165.01851	4.7
165.05486	5.2
167.03419	1.1
168.00516	0.9
169.01311	2.9
169.04984	2.1
173.02364	0.9
173.04613	0.5
174.03165	0.5
175.00281	24.9
175.03853	3.2
176.00743	1.8
177.01833	1.4
177.05458	0.6
179.07101	2.7
179.10725	0.6
189.01874	1.1
190.02635	70.5
191.03142	4.8
191.05534	1.2
193.01363	1.1
193.05003	2.1
199.07664	0.6
205.04997	74.7
206.05341	4.1
207.02872	1.0
208.03679	1.6
209.04498	4.7
223.06067	9.0
233.06593	3.7
243.02885	0.8
243.06593	2.5
251.05801	0.6
269.08231	0.5
270.99179	0.7
271.02426	7.2
272.02859	0.7
287.22012	0.9
293.08835	2.5
298.98541	0.6
299.01923	13.3
299.99106	1.3
300.02533	2.5
300.99811	1.2
314.04291	14.0
315.05011	10.3
316.05518	1.4
327.12457	1.6
339.12265	1.0
357.13373	1.1
357.26410	0.6
375.27426	0.8
429.10318	19.6
430.10599	2.2
441.29971	0.6
447.09274	24.4
448.09546	3.6
455.49609	0.5
463.19528	0.5
477.32437	2.9
507.19067	1.6
513.48511	0.5
522.20862	1.8
537.07513	2.5
537.23517	100.0
537.32013	5.7
538.07062	1.0
538.23724	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	537.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	0.6
57.03313	1.8
57.80194	0.6
59.01247	51.0
61.98424	0.9
61.98701	9.6
69.22881	7.1
71.01249	11.8
72.99171	0.8
73.02801	3.6
75.00756	1.0
76.29770	0.6
83.01239	1.2
85.02824	5.8
87.00764	1.7
89.02308	3.0
91.01741	1.3
93.03301	1.8
95.01257	1.7
96.95873	1.2
97.06406	0.7
98.19798	1.2
99.00738	2.2
101.02318	6.2
104.17981	0.7
107.04906	1.0
108.02020	1.0
113.02296	4.0
119.01254	4.9
119.03385	1.0
121.02819	4.4
122.03674	0.8
123.00707	2.2
123.04372	1.3
124.01524	0.9
125.02363	3.9
133.02888	0.8
133.59196	0.7
134.03607	1.4
135.04404	2.4
136.01569	0.8
137.02347	4.0
137.06012	0.7
147.00780	7.3
149.02336	11.3
150.03072	2.9
151.03802	0.8
152.01013	2.2
153.01724	0.6
161.02336	2.1
161.04425	5.0
163.03912	3.5
164.04659	8.0
165.01822	4.7
165.05443	0.9
166.99730	1.5
167.03352	0.9
168.00510	2.4
169.01312	3.7
169.04880	1.0
175.00272	32.0
175.03824	1.0
176.00671	1.1
177.01823	0.7
179.03392	1.0
179.07034	2.7
183.13692	0.8
189.01900	1.1
190.02631	78.0
191.03032	4.7
192.03952	0.6
193.01237	0.7
205.04993	80.8
206.05434	4.6
207.02831	1.0
208.03606	1.1
209.04485	2.0
211.13214	0.8
223.06052	9.7
251.05655	1.2
270.05173	1.0
288.06351	1.6
298.98172	0.7
300.99799	0.8
329.04343	0.8
375.27383	1.2
385.12808	1.3
477.28442	5.1
507.18723	2.8
521.27673	0.9
522.20782	3.2
528.88330	0.8
531.10339	0.7
537.06720	3.1
537.23334	100.0
538.06732	0.8
538.23615	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	537.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89304	0.6
55.01741	0.6
57.03324	1.8
59.01250	48.5
60.01594	0.7
60.91364	0.7
61.98689	2.3
63.96117	0.9
66.84476	0.6
68.99684	0.8
69.03314	1.8
71.01252	11.7
72.99187	4.2
73.02821	5.5
74.98950	0.8
75.00752	6.1
78.48026	0.5
81.03355	0.7
83.01266	3.5
85.02833	6.8
87.00746	11.6
89.02319	4.2
93.03342	1.0
95.01275	2.2
95.95134	0.7
96.37682	0.5
96.95893	6.2
97.02837	1.1
99.00761	3.1
99.04371	1.0
101.02332	5.7
102.98485	0.8
105.01828	3.7
107.01276	1.9
107.04868	0.7
108.02039	2.2
109.02839	2.6
111.00771	1.7
113.02338	8.0
119.03404	0.9
121.02863	1.8
123.00787	4.4
123.04402	2.1
124.01556	2.3
125.02338	28.1
126.02666	1.0
129.01859	0.8
133.02827	1.1
135.02950	0.8
135.04395	2.2
136.99040	1.3
137.02345	1.5
139.00281	2.6
139.11171	1.0
140.01073	1.9
141.01747	0.6
145.02815	0.6
145.98512	0.5
148.03947	1.3
149.02325	3.6
151.00215	2.0
151.03882	3.0
152.01079	2.7
153.01822	2.2
159.04442	0.8
160.01622	0.7
161.02353	2.0
161.04451	1.5
163.03842	0.7
164.04683	1.7
165.01843	0.7
165.12756	0.8
166.32584	0.6
166.99797	0.9
167.03391	0.6
168.00514	4.6
169.01343	36.0
169.05090	1.0
170.01637	1.3
174.03146	1.5
175.03906	0.9
177.01865	0.9
179.03450	1.1
179.07108	0.9
183.10248	0.9
189.01953	1.0
190.02655	1.3
205.05026	1.2
207.13773	2.2
209.11798	3.3
211.02440	9.2
218.02263	1.5
223.06084	1.2
225.14935	2.3
227.12854	10.7
229.74484	0.9
243.12239	0.9
247.02386	1.3
247.06149	1.4
249.06094	5.0
251.12888	0.8
255.16002	0.8
267.07175	7.1
268.07318	0.7
269.13879	3.0
271.01898	1.1
271.04633	15.9
272.04959	0.9
287.15018	11.4
288.15161	0.9
309.08304	5.8
313.05731	3.4
329.16141	0.9
331.06735	13.8
332.06995	1.0
345.13370	1.2
375.14676	1.5
389.18448	0.7
405.17303	1.0
449.19894	0.6
477.19730	2.2
519.20941	4.8
520.21539	1.0
537.12592	10.7
537.21753	100.0
538.12592	1.7
538.21594	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	537.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01246	7.6
61.98701	1.9
66.70296	0.4
70.27703	0.5
71.01254	5.8
71.51704	0.7
72.99161	2.2
73.02821	1.5
75.00744	100.0
76.01061	1.1
81.03363	0.5
85.02831	1.8
87.00767	0.6
88.98660	0.6
89.02314	7.2
91.01739	1.1
93.03304	1.0
95.01344	0.5
97.02812	0.6
99.00748	1.1
101.02309	3.0
108.02047	0.7
109.02834	0.8
113.02320	1.3
119.01291	1.8
119.03442	0.5
121.02842	1.4
123.00706	0.6
125.02338	3.8
131.03400	1.0
133.02824	0.5
134.03598	0.8
135.04404	1.0
137.02348	1.0
145.02905	0.5
146.24591	0.5
147.00775	2.6
149.02370	4.6
149.04434	4.1
150.02989	0.9
151.04013	0.5
152.01079	0.7
161.02347	0.9
163.03900	1.5
164.04660	3.8
165.01828	1.2
165.05458	0.7
168.00598	0.5
169.01285	0.6
175.00287	12.3
175.03891	1.9
176.00728	0.9
177.01949	0.7
179.07056	1.0
183.10147	1.1
189.01831	0.5
190.02637	30.8
191.03119	1.9
191.05540	0.9
205.04996	29.2
206.05377	1.3
208.03604	0.5
209.04428	0.6
223.06053	4.5
251.05531	0.5
270.99109	0.7
271.02371	0.7
293.08829	3.6
298.98312	1.2
299.99103	1.8
477.18909	0.7
489.19064	1.1
507.19031	0.8
519.20532	0.7
522.20825	0.9
530.26263	0.6
537.23444	35.9
538.23676	5.2
556.65503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01246	7.6
61.98701	1.9
66.70296	0.4
70.27703	0.5
71.01254	5.8
71.51704	0.7
72.99161	2.2
73.02821	1.5
75.00744	100.0
76.01061	1.1
81.03363	0.5
85.02831	1.8
87.00767	0.6
88.98660	0.6
89.02314	7.2
91.01739	1.1
93.03304	1.0
95.01344	0.5
97.02812	0.6
99.00748	1.1
101.02309	3.0
108.02047	0.7
109.02834	0.8
113.02320	1.3
119.01291	1.8
119.03442	0.5
121.02842	1.4
123.00706	0.6
125.02338	3.8
131.03400	1.0
133.02824	0.5
134.03598	0.8
135.04404	1.0
137.02348	1.0
145.02905	0.5
146.24591	0.5
147.00775	2.6
149.02370	4.6
149.04434	4.1
150.02989	0.9
151.04013	0.5
152.01079	0.7
161.02347	0.9
163.03900	1.5
164.04660	3.8
165.01828	1.2
165.05458	0.7
168.00598	0.5
169.01285	0.6
175.00287	12.3
175.03891	1.9
176.00728	0.9
177.01949	0.7
179.07056	1.0
183.10147	1.1
189.01831	0.5
190.02637	30.8
191.03119	1.9
191.05540	0.9
205.04996	29.2
206.05377	1.3
208.03604	0.5
209.04428	0.6
223.06053	4.5
251.05531	0.5
270.99109	0.7
271.02371	0.7
293.08829	3.6
298.98312	1.2
299.99103	1.8
477.18909	0.7
489.19064	1.1
507.19031	0.8
519.20532	0.7
522.20825	0.9
530.26263	0.6
537.23444	35.9
538.23676	5.2
556.65503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
58.00469	0.8
59.01254	9.7
61.98685	2.1
69.31388	0.6
69.39087	3.1
69.39513	1.8
71.01249	8.2
72.99171	0.9
73.02803	1.8
78.98576	0.5
83.01241	1.7
83.87633	0.6
85.02815	2.6
87.00739	1.2
89.02319	3.7
93.03325	0.8
95.01241	2.1
96.95888	2.2
97.02813	1.2
98.20498	1.0
99.00764	1.1
101.02317	3.9
107.01270	3.0
109.02830	0.9
111.00759	1.7
113.02308	2.5
119.03378	0.8
121.02837	0.7
123.00773	5.8
123.04359	0.8
124.01553	1.3
125.02336	23.8
127.00244	0.6
133.02837	2.5
135.04439	2.6
136.98718	1.4
137.02277	1.1
137.21733	0.7
139.00270	4.0
140.01051	2.7
141.01846	1.1
149.02354	1.4
150.03084	1.2
151.00243	2.6
151.03922	0.9
152.03447	0.7
154.99765	0.7
157.20653	0.7
161.02373	9.4
161.04471	2.3
165.01759	0.9
165.05461	1.2
166.99699	0.8
167.03383	2.1
168.00539	11.2
169.01337	37.5
170.01659	2.0
173.04477	0.9
174.03172	0.8
175.03822	0.6
177.01915	1.2
177.03781	0.5
179.03450	1.5
179.05664	0.5
181.05058	0.6
181.08583	0.7
183.02873	0.8
183.10193	1.0
193.01418	1.0
202.75206	0.6
211.02415	57.0
212.02739	3.1
218.02147	1.2
229.01389	0.6
241.03572	2.1
247.02461	2.1
271.04578	100.0
272.04919	7.6
287.15036	0.8
300.99799	2.4
313.05753	0.9
331.06689	24.1
331.17456	2.1
332.07111	2.2
477.23331	7.3
478.23706	1.7
489.13998	1.0
519.14899	1.6
537.19934	31.7
538.20276	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03308	0.4
59.01251	4.6
61.98694	1.1
64.46277	0.2
65.03847	0.3
69.49151	1.1
71.01255	2.4
72.99197	0.3
73.02821	0.9
75.00710	0.2
82.00491	0.3
83.01268	0.2
85.02828	1.5
87.00751	0.3
89.02306	1.0
89.69975	0.2
91.01749	0.2
92.02524	0.3
93.03335	2.5
95.01264	1.2
95.04903	1.6
99.00767	0.5
101.02319	1.4
107.04903	0.2
108.02055	3.1
109.02848	1.4
113.02376	0.8
119.03389	0.2
119.08559	0.7
121.02850	0.3
121.06505	0.5
123.00774	0.5
123.04445	0.3
125.02348	0.8
131.03374	0.2
131.04924	0.2
134.03624	0.2
135.04388	0.6
137.02348	0.4
145.02885	0.3
147.04398	0.7
149.05981	100.0
150.03108	0.3
150.06320	5.2
151.00294	0.2
152.00929	0.2
153.01884	0.2
155.10690	1.6
159.02940	0.2
161.02374	0.3
161.04474	1.3
163.03941	0.5
163.07480	0.2
165.05479	3.3
166.06049	0.2
167.03326	0.3
169.01341	0.4
175.00319	0.3
175.03857	0.9
177.01765	0.3
179.03471	0.2
181.08623	3.1
187.03975	0.2
190.02597	0.8
191.03360	0.3
193.01340	0.7
193.04984	29.2
194.05330	1.6
199.09717	1.1
201.01895	0.2
205.04951	0.8
209.04498	3.1
210.04814	0.3
211.06030	0.6
217.01154	0.2
227.03450	0.2
233.04454	0.2
253.56693	0.2
255.56943	0.2
267.06467	0.3
270.98831	0.3
275.98245	0.2
279.06714	0.2
295.06146	1.2
298.98257	0.3
299.99072	0.6
300.02423	0.3
300.99829	0.5
301.44864	0.2
310.08429	0.2
325.10831	0.8
329.23267	0.2
337.06961	3.8
338.07620	0.6
339.07889	0.3
345.13437	0.6
355.10324	23.7
356.10672	2.0
375.27460	0.6
385.15182	0.2
477.23715	0.4
477.30634	0.4
537.07959	1.5
537.19867	11.4
537.32837	4.9
538.07178	0.4
538.20062	1.9
538.33337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.3
59.01245	4.3
59.01536	0.2
61.21674	0.1
61.71978	0.1
64.58974	0.2
65.00201	0.5
67.01760	0.4
68.99697	0.3
69.03321	0.3
71.01257	3.1
71.01624	0.3
71.51032	0.2
72.99184	0.9
73.02805	0.5
75.00762	0.7
79.01788	0.1
83.01258	0.6
85.02814	0.8
87.00749	0.5
89.02311	1.1
93.03376	0.3
95.01271	0.6
95.04922	0.2
97.02846	0.4
99.00770	0.5
101.02322	1.1
107.01264	3.4
109.02808	0.7
109.99998	0.3
111.00757	2.0
113.02328	1.1
120.99561	0.2
121.02853	0.5
121.06463	0.1
123.00768	3.1
123.04413	0.3
124.01504	1.8
125.02337	22.3
126.02665	0.6
127.00248	0.8
129.01790	0.1
133.02847	0.5
134.03607	0.2
135.04428	0.3
136.98708	1.4
137.02324	0.6
139.00272	2.7
139.03902	0.9
140.01048	3.3
141.01836	0.5
149.02321	0.8
150.01888	0.6
151.00284	2.6
151.03902	0.4
153.01822	0.3
154.99745	0.3
155.03404	0.2
161.02386	1.2
161.04544	0.1
162.01860	0.2
163.00272	0.3
165.01886	0.8
165.05424	0.2
166.99791	0.4
167.03404	1.8
168.00552	13.2
169.01334	30.8
170.01671	1.6
175.02412	0.2
177.01799	0.2
177.03987	0.9
178.01347	0.2
178.99783	0.9
179.03400	0.3
180.02922	0.3
181.01353	0.4
183.02928	0.7
183.10223	0.3
190.01399	0.2
193.01390	0.4
193.03484	0.8
194.00876	5.1
206.00891	0.2
208.02481	0.6
209.00790	0.3
211.02417	58.6
212.02776	3.2
222.00462	0.2
229.05038	0.2
241.03445	1.0
255.02992	0.3
259.02127	0.2
270.03830	0.6
271.04581	100.0
272.04907	6.2
273.04031	0.2
299.01920	0.2
301.03421	2.3
313.05701	0.3
316.04599	0.2
317.02863	0.4
318.03076	0.3
326.03094	0.4
327.01596	0.3
329.05148	0.2
330.05923	0.3
331.06693	21.1
332.07123	1.9
343.03165	0.1
343.06793	1.0
344.04080	2.3
360.03741	0.2
361.04099	0.5
362.05249	1.9
402.06946	0.3
489.14282	0.2
531.70898	0.1
537.20258	2.3
538.20789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39107	0.3
55.94511	0.3
57.03315	0.7
58.00452	0.3
59.01246	14.4
61.98696	2.1
65.00224	0.4
67.01751	0.4
69.03322	0.6
69.32335	3.0
71.01248	4.3
72.99177	1.3
73.02818	1.2
74.98959	0.4
75.00761	1.5
79.11551	0.3
81.03305	0.6
83.01255	1.2
85.02819	2.0
87.00743	0.7
89.02306	2.4
95.01257	1.4
95.04894	0.4
97.02835	0.9
99.00735	0.7
99.04386	0.4
101.02307	2.6
102.98525	0.4
107.01264	3.3
108.02020	0.9
109.02821	1.4
110.02377	0.8
111.00769	2.4
111.77325	0.3
113.02321	1.4
119.03373	0.7
119.04919	0.7
121.02839	0.6
121.06458	0.4
123.00776	5.5
123.01653	0.4
123.04398	1.0
124.01505	2.1
124.98632	0.3
125.02335	24.5
126.02654	0.9
127.00314	0.6
133.02913	0.4
135.04396	1.7
136.04773	0.4
136.98734	1.3
137.02324	1.1
139.00252	2.4
139.03868	0.9
140.01060	2.6
141.01764	0.6
143.03409	0.7
145.02872	0.6
147.04327	0.4
149.02330	1.2
149.04413	0.3
151.00269	2.7
151.03899	1.2
152.01079	0.6
152.03465	1.5
153.01826	0.6
154.99728	0.4
159.04395	0.5
161.02345	0.9
161.04451	0.7
163.00269	0.4
163.03964	0.5
164.04649	0.6
165.01831	0.9
165.05434	0.5
166.99809	0.6
167.03403	1.2
168.00548	10.8
169.01329	37.2
169.50378	0.3
170.01665	1.3
175.00380	0.3
175.03860	0.5
176.01016	0.7
177.01842	2.1
177.03964	1.4
179.03471	0.4
179.06934	0.4
185.30507	0.3
189.01889	0.6
189.05386	0.3
190.02599	0.8
191.03401	3.2
191.05034	0.5
192.03677	0.5
193.01385	0.7
193.04988	0.5
202.51636	0.3
205.01324	1.8
205.05013	0.8
207.13977	0.3
209.04466	0.4
209.11800	0.4
211.02412	51.0
212.02771	2.4
215.03497	0.4
217.01274	0.4
219.02824	0.6
223.06133	0.6
225.14886	0.5
227.12888	3.6
229.01352	1.2
241.03409	1.5
243.02924	0.3
244.03656	0.6
247.02443	22.2
248.02831	1.6
249.09801	0.6
267.10754	0.9
269.04422	0.4
269.13947	0.4
271.04575	100.0
272.04944	5.4
287.05618	2.3
300.99860	0.4
329.05096	0.6
330.11041	0.4
331.06680	28.3
332.07080	2.4
345.13300	1.0
348.66327	0.3
357.13235	0.7
367.04712	0.8
375.14429	0.4
427.12323	0.7
477.23645	0.4
504.22528	0.4
519.09192	2.2
519.24188	0.5
537.11963	2.6
537.19598	8.3
537.25800	7.4
538.19733	2.6
538.27173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
59.01007	0.9
59.01248	9.5
61.98703	6.2
62.31459	0.8
65.03824	0.8
66.90247	1.0
67.01746	2.5
71.01255	8.2
71.51820	1.3
72.99162	1.5
73.02797	2.9
75.00717	1.1
83.01255	2.0
85.02805	3.3
87.00732	1.4
87.04365	1.1
89.02291	3.7
91.01787	5.4
93.03307	1.8
95.01242	3.4
96.95907	10.1
98.20217	0.8
99.00738	1.5
101.02330	6.1
108.02028	1.2
109.02271	0.8
109.02837	8.7
109.99927	1.2
111.00745	3.1
113.02296	2.9
119.01308	5.8
119.03395	1.0
119.04825	1.0
121.02863	4.4
122.03563	0.9
123.00768	1.8
123.04393	7.8
124.01536	1.2
125.02348	6.6
131.04874	2.6
133.02742	1.1
134.03624	2.3
135.00775	17.1
135.04393	5.2
137.02275	2.4
137.99428	1.5
139.00267	28.0
139.03903	5.0
140.01003	1.2
147.00790	4.1
147.04398	1.5
149.02335	11.9
150.03072	1.8
151.03850	3.7
152.00987	2.1
153.01842	35.3
153.05435	5.1
154.02643	21.5
155.03313	2.2
159.04379	1.5
161.02264	2.4
161.04506	1.5
161.05888	0.8
162.03038	1.1
163.03893	4.0
164.03474	1.0
164.04704	11.2
165.01807	1.5
165.05354	1.2
166.02538	1.1
167.03325	1.9
168.00533	1.8
168.04230	5.3
169.01370	5.6
169.04993	23.1
174.03098	5.0
175.00305	34.3
175.03922	45.3
176.00854	3.5
176.04187	1.9
177.01733	1.6
179.03415	1.2
179.07031	3.2
183.13681	1.4
187.03752	1.4
189.01801	2.1
189.04172	0.9
190.02643	93.6
191.03239	10.1
192.00307	1.2
205.05005	100.0
206.02235	0.9
206.05379	6.0
208.03688	2.0
209.04424	2.0
217.04971	1.0
221.04436	2.7
222.08740	1.0
223.04208	0.8
223.06061	14.8
237.11079	1.0
239.05502	2.9
295.02225	1.3
311.01926	1.3
313.03403	1.6
315.10837	1.0
324.02664	1.2
325.03448	1.6
331.10336	1.6
337.09134	1.2
339.01212	1.5
340.02164	1.0
341.02783	1.8
353.08582	3.4
357.02356	2.6
367.10339	29.8
368.10519	2.9
375.17883	3.7
389.25275	1.0
429.10309	4.1
491.08127	2.1
502.07672	1.1
503.08109	1.1
519.08026	1.5
537.15894	57.5
537.32343	3.2
538.16278	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	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.1
57.03330	1.1
58.99478	11.2
59.01253	14.3
60.12356	1.1
61.98686	1.4
62.99559	1.0
69.03313	4.9
71.01258	9.7
71.51460	1.2
72.57586	1.1
73.02832	3.5
74.02092	0.9
74.98961	3.6
81.03332	2.7
82.39107	1.0
83.01241	1.6
85.02820	5.4
88.98679	2.6
89.02320	3.7
89.54297	1.0
91.01772	1.3
92.61699	0.9
93.03336	2.6
95.01257	4.6
97.02837	3.8
97.06491	1.0
101.02341	4.8
102.98479	68.4
107.01272	1.4
108.02061	24.9
109.02873	13.2
109.99986	7.6
111.00753	4.8
113.02326	5.3
119.01272	3.6
120.99512	3.5
121.02852	9.4
123.00781	15.6
123.04385	2.2
124.01554	23.1
125.01460	2.2
125.02352	43.2
126.02625	1.2
133.02864	2.0
134.03633	2.3
135.04404	7.7
137.02333	5.7
137.99466	10.1
139.00275	26.4
139.03810	1.8
140.01080	1.6
145.02798	1.1
147.00804	5.7
148.01530	2.0
149.02359	23.7
149.06001	1.7
149.99493	27.8
150.03070	4.5
151.00323	5.7
151.03889	3.5
152.01064	31.9
153.01845	100.0
154.02638	22.5
155.03343	1.7
160.01549	1.9
161.02251	1.6
161.04449	1.3
163.00595	6.9
163.03915	6.7
164.04709	14.6
165.01855	5.9
165.05385	3.5
166.02571	1.3
166.99799	2.0
167.03423	5.3
168.00560	63.6
168.04192	28.1
169.01367	9.0
169.04993	13.9
174.98778	2.3
175.00284	33.3
175.03909	3.4
176.01062	12.0
177.01855	3.6
179.03386	3.1
179.07051	2.9
181.01353	1.2
181.04997	0.9
184.65839	1.0
189.01842	2.2
190.02644	67.6
190.99776	2.3
191.03404	23.6
192.00555	1.2
193.01378	1.6
195.06596	6.0
197.04482	2.4
205.05005	64.1
206.02127	2.8
206.05363	3.5
207.02934	2.4
208.03656	5.3
209.04527	5.9
211.04237	1.8
221.04472	3.4
223.02496	1.2
223.06084	17.3
251.05516	1.3
265.07135	2.2
295.08127	1.6
297.06088	2.6
300.99661	1.3
301.03644	1.2
313.05573	4.1
315.07211	20.2
316.07437	2.7
327.07056	1.6
331.06720	13.0
332.07257	1.6
337.09293	2.6
339.07135	1.4
341.08682	4.9
353.04660	1.6
353.08755	22.3
354.09326	1.4
367.10345	31.2
368.10483	2.1
375.27383	1.7
389.25616	4.4
447.09235	2.0
477.23053	1.7
505.09662	6.7
519.11505	2.8
522.13733	3.2
537.13049	78.0
537.33185	6.3
538.13068	13.4
555.53973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.6
61.98690	1.0
65.94888	0.4
67.01813	0.5
69.03318	3.3
71.01254	1.9
71.38167	1.2
73.02842	0.8
79.01783	0.7
81.03332	1.9
83.01268	1.0
84.88508	0.6
87.19090	0.5
89.02311	1.7
95.01252	2.4
97.02821	3.3
101.02320	1.2
107.01253	1.4
107.29150	0.6
108.02067	0.8
113.02352	1.0
121.02843	1.7
123.00758	6.0
124.01548	16.4
125.02334	89.2
126.02682	3.0
135.04410	0.9
137.02330	2.1
147.04333	0.6
149.02322	4.3
149.99486	27.7
151.00214	2.2
152.07076	0.7
164.04698	2.8
166.99811	0.8
167.03404	1.9
168.00549	48.0
169.01332	100.0
170.01648	4.1
174.03134	1.6
175.00258	1.4
175.03944	6.0
179.03348	0.6
190.02632	6.7
191.03416	1.2
193.01280	1.1
205.05002	7.3
206.05284	0.7
211.02400	1.1
218.10155	0.6
223.06020	2.3
271.04761	1.1
313.05640	2.8
314.05881	0.6
331.06683	12.7
332.06839	0.9
367.10287	1.3
403.36481	0.6
461.18939	1.2
505.09717	0.7
505.17993	1.5
519.10858	1.1
537.12476	69.6
538.12744	11.2
538.20587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17752	0.5
55.01741	1.1
55.48786	0.6
57.03312	3.3
59.01252	24.0
63.02609	0.8
65.00187	4.1
66.77621	0.6
67.01748	1.6
69.03339	1.7
69.68787	3.7
71.01254	17.6
72.99171	1.7
73.02822	6.2
79.01765	2.7
81.03316	1.6
83.01255	8.4
85.02827	7.9
85.48399	0.6
87.00746	1.2
89.02307	3.9
93.03365	1.1
95.01277	3.8
97.02819	2.0
98.21568	0.7
99.00768	0.9
101.01704	1.0
101.02322	12.2
102.98468	1.5
107.01270	14.6
109.02853	1.2
111.00748	1.9
113.02336	6.8
119.03400	1.1
121.02835	3.3
123.00765	19.5
123.04424	1.0
124.01620	3.2
125.02335	42.9
126.02685	1.7
133.02879	0.7
135.04387	1.9
136.98830	0.6
137.02316	2.3
139.00279	3.8
139.03923	1.7
140.01053	1.5
141.01813	2.9
143.03391	0.7
147.04498	1.1
149.02345	14.2
150.03041	2.2
151.00276	34.3
151.03864	1.6
152.00754	1.3
153.01833	1.6
155.03377	0.9
159.02901	0.9
161.02353	0.9
161.04463	6.3
163.03902	3.4
163.05934	0.8
164.04703	10.6
165.01823	1.7
165.05533	1.8
166.99710	0.7
167.03337	0.7
168.00520	4.9
169.01338	46.5
169.04994	1.8
170.01680	1.6
175.00287	5.0
175.03914	0.8
176.01051	2.5
177.01817	0.6
177.05534	1.1
179.03395	1.8
179.07039	2.1
183.02954	4.6
183.10193	0.7
190.02646	12.7
191.03447	8.2
193.01353	2.5
194.01941	0.8
205.05016	10.4
206.05794	6.5
207.02968	3.1
208.03659	2.4
209.04453	3.7
211.02423	6.3
221.08110	6.8
223.06052	12.7
224.06378	1.7
227.12903	3.6
235.02420	1.0
237.07657	1.4
250.04828	1.9
251.05444	1.9
253.03276	0.8
265.07092	11.4
266.07382	1.0
267.10715	0.9
271.04593	1.4
281.06696	1.4
295.08246	2.7
311.07660	3.0
313.05734	3.3
325.09338	4.6
331.06683	1.8
331.17596	9.2
353.08755	10.2
367.10370	1.9
371.09769	2.4
385.11453	1.1
389.25000	0.9
477.10016	1.0
477.23410	25.7
478.23651	2.0
493.16245	1.1
537.12482	100.0
537.24640	9.8
538.12781	14.7
538.25928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
59.01254	8.1
60.99177	14.5
61.98713	5.8
67.48413	0.8
69.03322	1.8
69.23503	8.4
71.01260	4.7
73.02827	1.2
75.00740	3.0
83.50864	0.9
85.02821	2.2
88.98679	100.0
89.02338	4.4
89.99009	1.5
90.07838	0.9
93.03349	11.3
95.01233	0.9
95.04898	2.3
97.02821	2.1
98.19837	1.8
99.00768	1.6
101.02342	2.7
103.05392	1.0
107.01263	2.8
108.02052	5.1
109.02808	2.9
113.02345	2.2
117.87453	1.1
119.03394	0.9
119.04900	1.6
121.02819	3.0
123.04460	1.7
125.02304	5.2
130.04187	0.9
131.04919	1.5
134.03610	1.3
135.00758	4.2
137.02339	23.3
137.05959	1.9
145.02809	1.4
147.04402	3.5
149.02309	2.1
149.05989	1.0
151.00285	1.6
151.03947	1.2
152.01060	11.0
153.01839	1.1
155.10667	1.1
160.01495	1.1
161.02390	1.7
163.03853	2.3
164.04695	1.2
165.01857	5.3
165.05379	1.4
168.00536	1.6
169.01323	3.5
169.02670	0.9
170.11754	1.0
173.04439	1.0
174.03122	6.6
175.00386	4.8
175.03920	38.4
176.04178	2.2
181.08676	4.7
190.02652	11.5
191.03214	1.2
193.01408	2.2
193.04980	1.2
198.99886	1.2
199.09705	2.5
205.04994	13.6
214.02571	1.9
223.06166	1.1
223.09703	5.2
242.05821	1.1
243.06558	10.4
253.10760	1.1
271.02509	11.8
299.01950	16.7
299.99149	1.6
300.02350	4.9
314.04303	23.9
315.05051	27.9
316.05499	2.7
331.24902	1.6
361.05338	1.1
405.12057	1.2
406.11642	1.0
429.10419	8.0
441.82813	1.1
447.09323	36.7
448.09796	5.8
537.08313	3.0
537.16901	1.5
537.23260	14.1
537.32068	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	537.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43656	0.8
56.40355	0.9
57.03313	1.1
58.00432	0.8
59.00954	1.4
59.01246	22.4
60.01574	1.0
60.99178	16.9
61.98691	3.0
66.83369	0.9
67.01712	0.7
69.03320	3.4
69.17862	8.4
71.01250	16.4
72.02037	0.9
72.99168	1.5
73.02810	4.4
74.68996	0.7
75.00744	5.0
75.02150	0.7
81.03314	1.8
83.01256	2.1
83.04895	0.7
85.02827	5.4
87.00749	1.4
88.98677	100.0
89.02315	11.4
91.01761	1.4
93.03336	3.3
95.01255	2.3
96.95870	1.1
97.02837	2.6
99.00752	2.8
99.04392	1.4
101.02316	5.8
107.04892	1.2
108.02054	5.8
108.07944	0.8
109.02831	7.0
113.02337	4.8
119.01263	4.0
119.04894	0.8
121.02845	4.9
121.03565	0.8
122.02361	1.1
123.00780	1.0
123.04404	1.6
125.02333	11.9
129.03036	1.0
131.03410	1.1
133.02878	2.6
134.03090	1.0
134.03606	0.7
135.00787	1.4
135.04410	3.5
137.02330	6.7
139.00307	1.2
145.02948	1.5
147.00761	4.2
147.04465	1.9
148.79166	0.8
149.02361	7.0
149.04552	1.2
149.06006	2.4
151.00262	1.3
152.01033	11.2
153.01833	4.2
154.02669	0.8
161.02350	8.9
161.04462	1.7
162.02713	5.5
163.02838	2.3
163.03951	2.5
164.03253	1.5
164.04689	6.4
165.01869	5.1
165.05499	5.3
167.03401	1.9
167.08209	0.9
169.01360	6.3
169.05026	1.1
174.03276	1.0
175.00281	20.3
175.03937	3.4
179.07057	5.6
189.01819	1.6
190.02632	59.4
191.03186	2.6
191.05496	1.8
193.01288	1.1
193.05063	2.4
195.19023	0.8
205.05002	61.2
206.05406	1.9
209.04509	3.3
217.01180	0.8
221.08136	2.2
223.06097	6.7
233.06589	4.1
243.02847	1.5
243.06593	3.3
269.04803	0.9
269.08047	1.2
271.02466	11.9
283.09863	2.0
285.00552	0.9
287.22296	1.4
293.08817	2.8
297.07788	1.5
299.01962	21.0
299.05344	1.0
299.99094	2.7
300.02701	3.6
309.07645	2.3
312.10083	2.3
314.04272	26.2
315.05032	18.2
316.05270	2.1
324.10098	2.3
327.12292	6.9
339.12366	5.0
357.13382	4.1
375.27383	2.4
429.10342	20.1
430.10779	1.3
447.09277	40.7
448.09482	5.8
477.32346	2.7
489.19571	1.5
507.18991	2.7
522.21356	2.7
536.24786	7.9
536.31891	3.9
537.07098	4.2
537.23535	90.5
537.32233	8.3
538.23871	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.7
55.18082	0.4
57.03320	1.8
58.00480	0.8
59.01250	53.6
60.01586	0.6
61.98700	1.3
69.45727	0.4
71.01254	12.2
72.99174	0.9
73.02817	4.9
75.00752	0.6
81.03338	2.2
83.01255	3.5
85.02820	6.2
85.99989	0.5
87.00763	2.2
89.02316	2.4
95.01282	1.0
97.02834	0.5
97.06472	0.4
99.00734	1.9
101.02319	10.8
110.71091	0.4
111.00776	1.6
111.08028	0.4
113.02332	4.8
117.03352	0.4
117.05449	0.5
119.01242	0.4
119.03395	0.8
121.02818	0.4
123.04405	13.5
123.08060	1.3
125.02320	3.2
129.01830	0.6
133.02855	2.9
134.03687	0.6
135.04424	1.1
137.02348	0.9
143.03271	0.4
145.02838	0.9
147.00793	1.2
149.02379	0.4
149.05974	0.9
151.00311	0.5
151.03922	0.7
159.02924	1.1
161.02351	8.5
161.04492	1.4
163.03894	0.6
165.05432	0.5
167.03407	36.8
168.03767	1.4
175.00363	1.1
175.03931	1.4
181.05006	1.8
185.11729	0.5
190.02669	1.1
191.03433	6.9
193.05016	1.3
205.05060	0.8
209.04477	2.4
215.12798	1.2
221.04428	0.6
227.93629	0.5
233.04391	0.5
241.08693	1.2
277.21774	1.5
295.22910	1.1
313.23761	1.4
353.08810	0.9
355.24741	1.9
362.19388	0.8
367.10452	0.6
373.25940	4.6
374.26117	0.6
439.27255	1.6
457.28024	3.4
474.49115	0.4
475.29141	4.2
517.30640	0.8
535.15155	2.3
535.31335	100.0
536.31641	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	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99472	6.0
59.01250	11.6
60.99179	15.6
62.48754	0.4
65.00204	0.6
69.44674	3.3
71.01242	3.5
73.02808	1.9
74.98962	1.5
83.01250	1.2
85.02823	1.7
87.00731	0.7
88.98677	100.0
89.02312	2.1
93.03338	0.9
95.01270	0.6
99.00781	0.6
101.02316	1.8
102.98474	31.6
107.01256	1.2
108.02048	1.5
109.02826	2.1
111.00765	1.2
113.02332	1.7
119.03381	1.0
120.99503	1.3
121.02818	1.8
123.00748	0.7
125.02335	2.6
133.02850	0.8
134.03647	0.6
135.04395	0.9
135.98244	0.8
137.02342	1.6
139.00249	0.7
149.02295	0.8
151.00281	6.9
161.02396	1.3
161.04414	0.7
163.00471	2.7
163.04008	0.6
164.00972	0.7
164.04442	0.6
165.01718	0.5
166.99702	0.9
169.01328	2.0
175.03929	1.5
178.99791	3.4
179.03448	1.0
179.07063	0.9
190.02731	0.5
192.00420	0.5
193.04915	0.7
198.26924	0.5
205.01315	2.2
211.03931	1.2
227.03387	1.3
227.12808	1.9
229.04852	0.6
240.03804	0.6
243.02917	2.9
245.04597	1.1
254.02226	0.7
255.02948	9.4
256.03345	0.9
267.10834	0.6
271.02423	18.5
272.02887	2.2
283.02502	1.1
299.01782	0.9
300.02731	35.5
300.99939	1.1
301.03479	29.2
302.03888	1.9
313.05838	0.5
354.29504	0.5
375.17862	0.7
375.27426	0.8
389.25467	6.6
447.09286	63.2
448.09613	7.5
537.12585	1.2
537.25165	6.6
537.32410	1.8
560.66138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03318	0.8
57.14001	0.3
59.01250	11.2
59.48058	0.6
61.98705	1.5
71.01253	4.9
72.99202	0.7
73.02814	3.2
73.03123	0.3
74.95425	0.3
75.00764	0.6
83.01243	1.3
85.02821	3.0
87.00746	3.3
88.00280	0.6
89.02310	1.6
89.32407	0.3
93.03342	0.4
99.00786	0.5
101.02322	3.6
105.03374	0.8
113.02325	1.7
117.03354	1.3
119.03410	0.4
121.02817	0.4
123.00789	0.6
123.04415	0.8
125.02354	0.8
131.04933	0.3
132.02089	1.4
133.02849	30.4
134.03265	1.3
135.04414	7.6
136.04749	0.5
137.02371	0.9
142.19464	0.3
145.02849	0.6
149.02406	0.4
152.16820	0.3
161.02348	100.0
162.02687	4.9
163.03886	0.3
165.01883	0.4
167.03352	0.3
171.10107	0.5
174.03114	0.8
175.03920	6.0
176.04216	0.4
176.62785	0.3
179.03418	3.7
180.03842	0.3
184.68839	0.3
185.11766	0.3
190.02625	0.4
227.12816	0.4
255.02815	0.3
285.20676	0.5
299.21600	0.3
313.07013	0.5
327.21878	0.5
355.24728	0.9
359.12936	0.4
373.21597	0.4
373.25922	5.0
460.18829	0.4
475.22159	0.5
475.28607	0.6
535.25146	64.0
536.25604	10.6
536.31470	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	535.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
57.03319	5.7
59.01248	100.0
61.98700	46.0
65.00188	2.5
67.01757	2.6
67.88136	1.7
69.03323	2.4
69.35162	10.0
69.35579	4.1
71.01250	50.8
71.04856	2.1
72.99181	6.6
73.02817	27.8
74.98953	1.8
75.00745	6.1
76.57733	1.8
81.03323	3.0
83.01248	9.9
83.04893	1.9
85.02815	27.3
87.00761	6.7
87.04370	2.5
89.02316	26.6
91.01768	2.7
93.03336	4.1
94.91474	2.1
95.01263	5.9
96.95921	2.9
98.95502	2.0
99.00758	4.7
99.04377	3.6
101.02320	36.7
103.00233	2.0
103.03873	17.5
107.01260	2.8
108.02029	7.9
109.02850	9.1
111.00754	4.6
113.02332	20.8
117.03345	2.2
119.03388	10.4
119.04881	3.4
121.02841	5.7
121.04925	2.0
122.03659	2.4
123.00766	5.5
123.04406	35.8
125.02329	11.9
131.03366	3.4
132.02042	3.2
133.02850	5.7
134.03616	6.4
135.02853	3.8
135.04436	9.1
136.99078	2.4
137.02325	7.2
139.00230	2.0
143.03360	2.9
145.02849	7.5
147.06541	4.1
149.02293	3.2
149.06013	3.9
150.03180	3.1
151.00267	9.9
151.03909	5.6
152.01041	16.1
153.01807	4.0
153.05464	25.0
159.04393	2.9
160.01595	13.3
161.02353	16.0
161.04453	15.3
163.03888	5.8
164.01050	2.4
164.04718	2.4
165.01744	3.1
165.05482	2.3
166.02571	10.8
167.03407	55.2
167.07060	2.6
168.03792	2.9
169.01305	7.7
169.02673	1.6
173.02312	2.4
174.03131	12.3
175.00267	1.8
175.03900	24.6
176.01019	2.5
176.04089	2.2
177.01839	3.8
179.03378	4.4
179.05515	5.7
181.04962	14.6
182.05742	7.8
183.10159	3.3
190.02629	10.9
191.05579	2.8
193.04976	9.0
194.02121	8.3
197.08113	5.3
205.04956	8.6
207.13904	3.2
209.04494	88.8
209.11815	3.1
210.04782	4.6
211.02377	2.0
217.04980	2.0
218.02194	9.1
219.02515	5.3
220.02640	5.5
223.06061	3.9
223.08139	4.0
225.14899	3.1
227.12820	15.3
229.05191	2.7
239.03366	2.7
239.05518	15.2
265.09305	12.7
269.06631	35.1
269.13922	6.1
269.17545	17.8
271.04626	2.3
283.10385	6.1
287.14935	17.5
289.07117	4.4
301.03506	2.0
307.10315	8.3
307.18604	1.7
313.16577	3.0
315.07324	3.4
315.10858	4.3
329.08633	2.1
337.09210	5.8
355.11884	3.9
367.10400	4.6
373.13150	4.5
373.25989	9.5
389.17938	2.1
449.20114	4.2
460.18585	2.1
475.21909	13.3
491.11121	5.4
493.22812	3.2
517.22455	3.2
535.10333	5.2
535.17596	8.8
535.24091	71.2
535.30707	13.3
536.19159	2.1
536.24701	16.1
536.31329	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	535.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67120	1.4
55.75431	1.2
58.00468	1.6
59.01252	36.4
61.98688	6.6
71.01256	25.3
71.50615	1.1
71.51031	1.8
72.06123	1.1
72.47362	1.2
72.99185	2.8
73.02808	4.4
75.00723	3.0
79.95604	4.6
83.01236	2.0
85.02819	5.3
87.00748	2.3
89.02313	18.4
93.03333	2.3
95.01254	2.5
96.95892	29.2
97.02800	2.0
99.00724	2.2
101.02325	16.0
104.04966	6.4
106.06509	1.6
108.04420	5.2
109.02823	4.0
111.00750	2.6
113.02335	9.0
115.00246	1.8
119.03378	6.1
121.02827	1.7
122.05981	1.9
123.00802	2.8
123.04421	1.7
124.01537	1.4
125.02345	3.0
132.03482	2.4
132.04451	43.4
133.02823	5.2
134.03625	3.4
134.06001	32.1
135.02910	2.4
135.04451	6.3
136.01537	2.8
137.02318	2.7
143.03384	1.5
145.02827	2.1
148.03922	2.9
149.02361	1.8
149.05978	1.9
150.03123	2.6
151.03891	3.7
152.07086	4.1
153.01775	1.4
158.06010	4.3
159.04314	1.6
160.03911	2.6
161.02350	17.7
161.04376	1.8
163.03935	3.1
165.01802	2.1
165.05476	1.9
165.08910	1.4
169.01282	2.2
173.04384	1.9
176.03494	9.0
177.05362	1.7
178.74327	1.2
179.03423	4.3
179.05309	1.4
181.08597	1.5
183.96570	1.2
190.05035	6.2
191.03452	3.1
191.05486	3.1
192.00539	1.6
193.01242	2.0
193.04974	1.7
227.11873	1.5
245.00293	1.3
247.02386	2.4
251.11801	6.1
253.10010	1.4
255.02965	2.0
255.11264	4.2
271.02374	4.5
279.08505	2.3
279.11401	21.6
280.11551	2.0
295.10730	4.8
300.02820	8.9
300.99832	2.7
301.03500	3.3
313.10971	2.8
314.12521	3.1
323.07544	4.3
323.10858	8.9
324.10596	1.6
373.13089	6.0
374.13474	1.5
435.17712	6.3
459.17731	15.6
460.18027	2.3
463.08942	8.0
475.17157	3.0
503.16693	100.0
504.17255	11.6
517.18427	8.6
535.14026	6.6
535.20056	5.9
536.19714	1.6
556.09729	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	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46036	0.5
55.01763	0.8
59.01250	7.4
61.81151	0.5
61.98683	1.0
63.96096	0.8
69.03291	0.7
71.01251	9.1
71.51250	0.7
72.99181	2.1
73.02813	3.4
74.98969	0.9
83.01268	1.0
85.02816	5.8
87.00762	1.2
89.02316	1.9
91.01767	1.6
93.03323	2.6
95.01253	1.5
97.02818	0.7
99.00755	1.1
99.04403	0.7
101.02333	4.6
102.98470	3.8
107.04941	0.7
108.02055	3.2
109.02833	4.2
111.00764	0.6
113.02322	4.1
117.03378	1.1
119.01265	6.3
119.04871	0.8
121.02856	5.5
122.03623	32.8
123.00754	1.3
123.04426	15.9
125.02328	2.3
130.28146	0.6
133.02814	2.9
134.03659	1.4
135.04410	6.7
135.98212	1.5
136.01566	3.1
136.98993	1.2
137.02335	3.5
137.05969	1.1
138.03062	0.7
139.00296	0.8
139.03893	4.5
145.02823	1.7
147.00790	3.8
147.04395	0.8
148.01523	1.5
149.02339	15.3
149.05910	0.6
150.03107	2.9
151.03899	4.2
152.01018	3.5
153.01688	0.8
160.01587	1.4
161.02348	8.2
161.04472	1.7
161.05788	0.6
162.02989	1.1
163.03899	4.8
164.04691	11.0
165.01855	2.7
165.05388	1.1
166.02632	1.4
167.03400	2.1
169.01329	0.9
169.05029	1.2
175.00278	39.5
175.03906	2.0
176.01033	9.2
177.01672	1.1
177.05556	0.6
179.03403	2.9
179.07036	2.4
181.04987	2.4
183.02914	2.6
189.01839	1.3
190.02632	100.0
191.03357	16.9
192.03816	1.1
193.01324	1.0
193.04984	1.0
193.12201	0.6
194.02138	1.2
196.07326	1.0
197.04466	1.1
205.04994	87.8
206.05347	6.3
207.02927	0.6
208.03709	2.1
209.04445	2.0
223.06064	10.3
272.06967	0.9
287.09268	0.7
293.08905	0.7
323.07672	2.6
329.09653	0.9
337.09232	1.5
353.08844	4.5
358.10675	2.2
367.10297	14.9
368.10541	1.7
373.12854	7.5
374.13174	1.0
476.13168	2.0
491.15579	84.8
492.15955	13.7
503.11923	3.0
535.13409	6.4
547.85565	0.6
553.33551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03309	1.5
59.01250	20.9
61.98705	2.2
69.03331	0.6
71.01253	8.3
71.04848	0.5
71.51937	0.7
72.99179	2.1
72.99516	0.4
73.02818	4.0
75.00750	2.4
78.95790	0.4
81.03313	0.5
83.01255	1.9
85.02819	4.0
87.00748	7.7
87.04385	1.3
87.96140	0.3
88.00265	1.1
89.02320	3.5
89.03854	0.4
91.01759	0.5
93.03343	0.6
95.01266	1.0
95.04868	0.5
96.95876	0.5
97.02802	0.4
99.00749	0.8
101.02326	7.8
108.02042	0.8
109.02819	1.0
111.00739	0.8
113.02335	2.9
117.03339	4.8
117.05445	0.4
119.03371	1.0
119.04919	1.1
121.02837	0.6
123.00733	0.4
123.04404	2.6
125.02320	2.0
127.11207	0.4
131.04889	1.1
132.02008	0.4
133.02892	0.5
135.04405	1.2
137.02353	2.6
137.09525	0.5
141.48994	0.3
143.03477	0.3
145.02846	5.0
146.03192	0.9
147.04414	1.0
149.02341	0.7
149.05984	0.4
150.03105	0.7
151.03914	2.7
153.09010	0.5
155.10689	0.7
157.12189	0.4
159.04376	0.7
160.01558	3.3
161.02344	22.8
161.04477	1.4
162.02831	0.8
163.03934	3.8
165.05437	0.5
167.03407	7.6
169.01312	0.6
171.10236	0.7
173.02313	1.7
174.03127	3.0
175.00371	0.5
175.03920	19.5
176.04237	1.5
177.01790	0.5
181.08617	1.0
187.03909	0.5
188.01036	3.4
189.01854	100.0
190.02480	9.4
191.03436	3.2
197.04506	0.6
197.08057	0.6
200.01022	0.5
201.01851	1.0
201.05394	0.5
201.14886	0.4
202.02638	0.8
203.03407	1.7
205.05052	1.0
207.02876	1.6
214.02760	0.4
229.14313	0.4
231.02843	1.9
313.23923	1.1
355.11865	1.1
355.24725	2.2
371.24033	0.5
373.12814	2.5
373.17081	0.6
373.25925	14.4
374.13315	0.5
374.26135	0.4
387.23636	0.6
387.27951	0.6
415.27054	0.6
475.22449	0.5
475.28970	2.2
534.30054	1.0
535.19141	5.1
535.31311	38.9
536.18787	2.0
536.31549	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	534.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	6.6
61.98700	100.0
72.26070	1.8
98.19830	4.3
106.20771	1.9
157.60693	1.9
206.95773	2.0
222.69072	2.3
236.66460	1.8
324.75613	2.1
557.34369	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	535.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16332	0.6
54.06831	0.6
57.03303	2.0
58.00445	0.7
58.25209	0.6
59.01250	24.2
60.77800	0.7
61.98687	2.0
69.49207	4.3
71.00899	1.1
71.01251	13.0
71.04897	0.8
72.99159	1.3
73.02816	3.7
75.00718	0.9
77.21210	0.6
80.02553	1.2
80.04903	1.1
83.01235	1.9
85.02827	4.3
87.00732	1.0
89.02310	11.3
91.01790	0.7
93.03325	1.0
95.01281	0.9
99.00723	0.7
99.04374	1.0
101.02322	9.5
102.98418	0.8
108.02052	35.5
109.02883	0.8
113.02327	5.7
119.01266	3.3
119.03368	3.6
119.04865	0.8
121.02826	2.8
121.04930	3.8
122.05983	2.3
123.00731	1.6
123.04420	15.9
125.02316	1.5
131.03346	1.0
133.02820	1.0
133.06465	0.9
134.03633	1.6
134.05991	1.5
135.04402	1.7
143.03450	1.0
145.02864	1.7
147.00757	2.2
148.01482	0.8
149.02328	7.2
150.03139	1.8
151.00336	1.3
151.03839	1.0
152.01051	75.1
152.07057	4.6
153.01532	2.9
153.05490	0.7
160.01541	1.3
161.02339	2.0
161.04480	1.3
163.03888	2.2
164.04709	5.6
165.01833	1.3
165.05473	1.1
165.12839	1.0
166.02640	5.2
167.03406	100.0
168.03781	5.1
175.00279	13.4
175.03967	1.8
176.01045	5.6
177.01738	1.2
179.05597	1.1
179.07079	2.0
181.04964	4.9
188.07120	2.2
190.02635	35.3
191.03409	8.9
193.01257	1.4
193.05052	0.9
194.02095	1.0
195.06738	1.0
205.05002	36.3
206.05441	2.8
207.13834	4.1
208.03659	1.4
209.04521	2.3
209.11771	3.5
223.06036	8.8
223.07875	1.0
253.09859	1.2
263.83221	0.8
267.11426	0.8
283.10385	4.3
289.15726	0.9
295.10870	3.3
307.11078	1.4
315.07333	1.0
329.13724	0.7
341.10370	0.9
353.08746	17.8
354.09357	1.4
367.10287	41.2
368.10608	4.2
373.13010	1.1
387.24130	1.2
460.18750	7.5
491.19684	0.9
504.17755	9.1
517.23016	1.6
525.05609	0.8
535.17194	5.4
535.24274	36.4
535.30865	2.5
536.25409	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	533.3844
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01251	100.0
60.01579	0.9
61.98697	2.0
67.08591	0.3
68.62862	0.4
71.01273	0.4
71.08487	0.4
71.22916	0.6
77.19565	0.4
88.98676	0.8
90.04161	0.3
107.43995	0.3
114.01976	0.4
135.86267	0.4
145.23389	0.4
156.97156	0.4
179.20004	0.4
364.85718	0.4
371.18961	0.4
379.48813	0.4
432.63733	0.4
443.35519	1.0
455.35388	1.5
456.36069	0.5
473.36420	26.5
474.36752	5.1
499.34174	0.5
533.31024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01247	100.0
60.01584	1.4
61.39223	0.3
61.98700	3.5
71.01259	1.2
71.04878	0.4
71.50876	0.3
73.02843	0.4
78.95795	0.8
81.52742	0.3
85.02844	0.5
89.02303	0.6
101.02337	1.0
113.02383	0.4
119.04992	0.4
123.19728	0.3
137.02310	0.4
145.02849	0.4
152.99533	1.0
161.02397	0.3
161.04517	0.5
175.03877	0.5
248.17165	0.3
251.25804	0.3
300.99539	0.3
313.23788	0.5
371.24442	0.4
443.32016	1.0
459.31387	1.0
468.00723	0.3
471.31686	0.3
487.30905	0.6
515.30109	0.4
533.31470	3.1
534.31964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.1
58.16826	1.1
59.01252	10.8
61.98693	1.4
63.02273	2.4
65.00194	2.6
65.99715	4.2
68.01276	1.7
69.30799	11.0
71.01242	9.6
72.99176	15.2
73.02808	2.8
73.66892	1.1
80.49401	1.2
81.03304	1.1
81.09112	1.0
83.01244	3.3
85.02834	9.4
87.00748	1.4
89.02314	4.1
93.03339	4.7
95.01256	5.3
96.95824	1.5
97.02847	1.7
99.00747	4.1
101.02333	3.4
103.00253	5.4
107.01268	8.1
108.02065	1.8
109.02827	16.4
111.00770	1.9
113.02332	16.3
113.21374	1.2
118.02913	1.4
121.02805	6.5
121.25976	1.1
123.00756	4.8
123.04411	2.0
123.47694	1.4
124.01553	1.6
125.02330	9.3
127.19641	1.1
129.01823	1.2
131.03392	3.4
133.01321	1.5
133.02831	3.9
134.02353	3.2
135.00780	2.8
137.02388	5.9
139.00299	2.2
139.03902	2.9
146.02315	2.8
147.00795	2.6
148.01526	1.7
149.02357	9.5
151.00270	29.1
151.03828	1.3
152.01013	2.8
153.01839	5.2
160.03918	5.0
161.02278	5.8
162.01886	11.8
163.00285	7.6
163.02385	1.8
164.03447	7.5
165.01952	1.9
166.99762	2.9
167.03392	1.7
169.01364	4.6
174.01851	3.5
175.00288	6.2
175.02473	2.3
175.03937	2.9
176.01009	1.7
176.03464	1.8
177.01846	37.7
178.99783	21.2
180.00148	1.5
181.01285	2.4
181.49860	1.1
185.06052	1.2
186.01888	8.8
187.00278	1.4
187.02550	1.5
187.04070	1.6
188.03490	2.7
190.01399	6.7
190.99681	1.6
192.00589	1.8
193.01346	15.2
193.03452	10.5
199.03941	2.8
201.05435	2.2
202.01384	4.0
203.03424	4.0
204.02934	27.0
205.01259	2.4
205.03384	1.7
206.99284	2.2
208.00002	1.6
208.02458	2.7
209.00787	4.4
213.05501	2.5
214.01361	4.1
215.03497	1.9
217.05066	2.7
218.00928	3.4
219.02811	1.8
220.02463	2.1
222.04012	3.7
224.06822	1.2
227.03300	3.6
229.05084	2.7
230.00780	2.6
231.01521	1.8
239.03392	1.8
241.05037	2.7
243.02988	6.7
244.03607	1.3
244.05988	1.4
245.00970	1.6
245.04501	2.9
247.02483	2.8
248.02034	7.6
250.04982	2.0
255.03015	5.6
256.03662	2.8
257.04584	3.4
266.04398	2.0
267.02884	1.9
269.04486	3.0
270.04358	1.4
271.02457	15.9
272.03085	3.6
272.05807	1.4
273.03995	7.5
285.03931	10.1
286.04404	1.7
291.05145	2.6
294.04089	7.6
295.02335	3.4
298.03763	1.3
299.01880	2.1
300.02686	27.5
301.03302	4.6
312.05130	5.1
312.99890	1.7
313.03491	25.2
315.05072	2.5
316.04630	2.1
317.02844	12.4
318.03464	2.3
321.99869	1.7
322.03580	25.6
323.03876	3.3
340.04596	100.0
341.04944	11.0
358.05652	56.8
359.06006	6.5
369.04666	2.9
385.04391	1.3
398.07181	15.3
399.07849	1.5
424.05255	6.1
516.07446	6.0
534.08734	8.2
535.08679	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	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03322	2.3
58.00453	0.8
59.01249	100.0
60.01577	1.4
61.98708	5.2
71.01253	17.7
71.04887	1.8
72.01608	0.8
72.99204	1.3
73.02824	6.3
75.00743	2.3
80.66817	0.6
83.01257	2.8
83.04904	1.9
85.02834	8.4
87.00764	1.9
87.04367	0.7
89.02307	7.3
90.78207	0.6
93.03348	1.3
95.01258	2.2
95.04909	2.8
96.95898	1.8
98.19856	1.6
99.00752	4.0
99.04388	2.3
101.02320	11.2
101.05977	3.5
102.62735	0.7
107.01270	0.8
108.02070	2.1
109.02845	3.8
111.00808	0.7
113.00624	0.9
113.02325	6.5
119.03412	2.1
119.04916	7.8
120.05275	2.3
120.99583	1.1
121.02823	1.4
123.04414	19.6
124.01566	0.7
125.02364	2.7
131.03419	2.8
132.02118	1.4
133.02855	2.8
134.03593	1.9
135.04427	2.8
135.11775	0.7
136.99026	1.3
137.02330	1.2
143.03452	1.1
145.02840	1.8
147.04445	1.2
149.02356	1.2
149.04463	2.8
149.05833	0.7
150.03165	0.8
151.00310	1.3
151.03937	3.0
153.05486	27.5
154.05855	1.5
156.99593	1.7
160.01511	3.5
160.03928	1.4
161.02376	5.2
161.04436	4.8
162.03171	3.5
163.03908	6.4
164.04510	2.6
165.01855	1.9
165.04521	0.8
165.05548	8.5
165.12755	1.0
170.15334	0.7
175.00317	0.6
175.03925	5.7
177.01862	1.9
177.05536	1.9
179.03412	2.0
180.04198	6.4
180.06561	1.0
181.08629	3.9
183.10107	0.9
189.12827	1.1
190.02620	2.9
191.03108	1.2
191.05536	1.2
193.04930	1.8
195.06558	9.3
205.05028	2.5
207.13846	2.6
209.04489	5.1
209.11749	5.6
223.06081	0.7
225.14905	6.7
226.15350	0.8
227.12839	29.1
228.13271	1.6
243.02989	0.8
255.03006	2.0
263.11285	1.5
267.16068	1.4
269.13980	2.0
271.02356	3.2
283.10287	1.5
286.28275	0.6
287.14896	1.1
300.02676	5.9
301.03323	3.3
305.12521	1.7
311.09955	0.7
315.10892	3.3
337.09244	5.8
349.18454	0.9
369.10980	1.4
370.10248	0.8
371.09863	7.6
371.14438	1.1
372.10010	1.5
398.39789	0.6
401.24756	0.9
419.76953	0.7
489.10120	5.4
490.10623	0.9
497.20480	2.0
515.24744	6.6
516.25348	1.1
531.17517	0.8
533.13220	2.7
533.26031	66.3
534.26312	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	533.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33218	0.1
55.01756	0.3
57.03320	0.4
59.01253	2.2
61.98705	0.2
64.27809	0.1
68.24993	0.1
69.46256	0.7
69.46666	0.2
71.01251	2.0
73.02808	0.6
75.00729	0.1
79.77763	0.1
83.01268	0.3
85.02814	1.3
89.02322	0.5
89.03845	0.2
93.03323	0.2
95.01244	0.3
95.04869	0.1
98.20557	0.1
99.00770	0.2
101.02323	1.2
103.69680	0.1
105.03316	0.6
113.02328	0.8
115.01796	0.2
117.03356	1.5
119.03357	0.2
123.04427	0.3
123.08059	0.1
132.02074	1.7
133.02852	31.9
134.03273	1.3
135.04416	7.9
136.04747	0.3
137.02361	0.6
139.03902	0.2
145.02864	0.4
160.01569	0.2
161.02350	100.0
162.02693	4.6
163.03937	0.3
175.03928	0.4
178.02693	0.2
179.03412	3.8
180.03796	0.3
195.06615	0.3
209.15323	0.4
371.23978	0.1
409.73328	0.1
533.23883	56.4
534.24213	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	533.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03323	0.7
58.00451	0.2
59.01250	5.5
61.98698	1.0
69.03312	0.3
69.31545	1.7
71.01250	3.8
72.99178	0.4
73.02827	1.5
75.00760	0.3
80.18659	0.2
82.02309	0.2
83.01250	0.8
83.04879	0.2
85.02827	2.0
87.00773	0.4
89.02324	1.5
89.03835	0.2
93.03318	0.3
93.11417	0.2
95.01272	0.4
96.95896	0.4
98.20539	0.3
99.00760	0.6
101.02323	2.9
105.03365	0.6
109.02831	0.4
113.02334	1.4
117.03362	1.4
119.03405	0.4
121.02898	0.3
123.04423	0.7
125.02338	0.6
125.09672	0.2
131.03462	0.3
132.02077	1.8
133.02850	33.3
134.03270	1.0
135.04411	8.3
136.04774	0.3
137.02339	0.5
145.02863	1.0
147.04399	0.2
149.06081	0.2
159.02957	0.4
160.01559	0.5
161.02348	100.0
162.02690	5.1
163.03815	0.5
173.02393	0.2
175.03952	0.8
179.03419	3.8
185.28877	0.2
189.01842	0.2
190.02567	0.4
191.03493	0.2
205.04996	0.4
209.15428	0.4
253.18112	1.6
271.02612	0.2
297.12320	0.3
311.22473	0.4
314.04254	0.2
317.66440	0.2
371.24454	0.9
373.20795	0.2
385.25702	0.2
392.02811	0.2
401.25430	2.1
533.23871	63.0
534.24249	11.0
534.30603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01248	17.1
61.98705	3.2
65.00141	0.9
69.42030	7.8
71.01251	11.8
72.99205	1.1
73.02818	2.5
74.98971	1.2
75.00744	1.6
75.35722	1.0
81.03323	1.1
83.04900	1.0
85.02823	4.2
87.00745	2.3
89.02324	12.6
91.01800	1.1
93.03326	2.0
96.95884	3.0
99.00745	1.6
101.02322	7.7
102.52140	1.2
111.00790	1.7
113.02320	3.3
117.03307	1.1
119.01259	5.1
119.03394	3.6
119.04877	1.2
121.02840	5.3
125.02345	3.0
134.03624	2.6
135.02893	1.9
135.04398	3.4
136.98962	1.2
137.02304	1.6
147.00752	3.1
147.04466	3.7
147.06523	1.5
149.02336	39.6
151.00247	1.5
152.01048	2.0
161.02327	2.3
163.03926	4.7
164.04707	31.4
165.01813	2.7
165.05261	1.5
165.07571	9.3
166.02675	1.1
169.01332	1.7
175.00285	39.4
175.03819	1.3
176.00874	3.3
177.01749	1.4
179.03432	1.6
179.07031	3.5
189.07637	1.2
190.02640	100.0
191.03214	7.9
191.05396	1.4
193.01321	1.3
205.05002	98.0
206.05508	9.6
207.02917	2.4
208.03700	3.3
209.04478	2.1
221.08075	5.7
222.05251	1.4
223.06070	66.6
224.06404	3.8
232.39067	1.1
237.07663	1.9
250.04797	1.8
265.07150	16.0
295.08191	3.0
325.09326	4.2
327.12677	2.4
367.10318	2.0
385.24103	1.2
413.10910	1.1
533.18762	94.4
534.19104	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	533.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01248	7.7
59.25633	0.4
61.98703	0.3
69.03365	0.2
71.01247	3.5
71.04906	0.2
72.99197	0.3
73.02814	2.1
75.00771	0.2
76.51730	0.2
83.01260	0.5
85.02820	1.4
87.00765	0.4
88.98693	0.3
89.02312	1.5
91.10211	0.2
93.03328	0.2
95.01272	0.3
96.50240	0.2
99.00748	0.3
101.02319	2.1
108.02085	0.2
109.02834	0.2
109.75644	0.2
111.00725	0.2
113.02345	1.0
117.03345	26.8
118.03663	1.1
119.03503	0.3
119.04906	12.1
120.05280	0.2
121.02819	0.4
123.04333	0.3
125.02335	0.3
133.02864	0.3
133.06467	0.4
135.04437	0.3
138.06767	0.9
145.02849	100.0
146.02046	0.4
146.03180	4.9
147.04459	0.3
149.02312	0.3
153.09113	2.7
161.02333	0.6
161.04500	0.4
161.05960	0.7
162.01868	0.2
163.03912	18.3
163.11113	0.2
164.04233	0.8
165.01891	0.3
175.00235	0.2
175.03917	0.6
177.05466	0.3
185.11743	0.4
190.02647	0.2
191.03516	0.2
191.05547	0.2
205.05032	1.1
218.04510	0.2
225.14902	1.2
265.07065	0.4
271.02399	0.3
299.01813	0.2
307.08209	0.5
342.70972	0.2
353.05389	0.2
353.23233	0.5
354.06287	0.2
371.24319	0.9
371.57236	0.2
372.06815	0.2
385.22348	0.2
387.16208	0.2
398.10492	0.2
412.09097	0.2
533.23621	49.5
534.11603	0.3
534.24030	8.1
534.29767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01237	1.1
60.99168	0.3
67.01747	0.5
69.03323	0.3
71.01241	0.9
71.12178	0.5
81.03339	0.3
85.02821	8.7
87.00755	2.0
93.03336	2.9
99.00785	0.4
99.04385	0.3
108.24529	0.2
109.02839	1.2
111.04375	1.1
125.02381	1.2
126.71607	0.2
127.03893	2.3
129.01817	0.5
135.04411	0.8
144.44337	0.2
169.01282	0.6
171.02979	0.5
173.04469	1.5
176.48988	0.2
179.03447	0.3
191.05531	100.0
192.05876	4.1
231.02959	0.2
234.01852	0.2
235.72141	0.2
249.03934	0.3
257.00879	0.2
274.17578	0.2
275.01923	0.6
444.79178	0.2
479.78931	0.2
530.67438	0.2
536.06055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03318	2.2
59.01246	61.3
61.98701	11.7
69.18692	7.3
69.19115	5.8
70.68049	1.2
71.01250	26.9
71.04910	1.3
72.99181	2.6
73.02809	10.2
75.00755	1.7
83.01252	4.1
83.04880	2.7
85.02809	8.9
87.00750	3.7
87.01633	1.5
87.04350	1.4
89.02316	13.6
93.03347	14.5
95.01254	2.2
95.04887	1.6
96.95880	16.0
96.96801	1.8
99.00771	3.8
99.04382	5.1
101.02319	14.8
107.04897	1.8
109.02867	3.4
113.02343	10.2
116.62641	1.3
119.01273	3.1
119.03407	5.3
120.99497	1.5
121.02849	5.4
121.04970	3.0
121.06474	10.8
123.04436	2.5
125.02334	5.5
131.03412	2.0
134.03598	2.8
135.04405	3.2
135.49461	1.5
137.02313	3.1
143.03473	1.9
145.02855	2.6
147.00755	2.8
147.04424	3.0
148.01559	3.5
149.02328	12.0
149.04478	1.7
149.05972	4.1
150.03130	7.7
151.03889	5.5
152.01091	1.5
153.01872	3.9
159.04419	1.5
160.01581	3.8
161.02374	4.4
161.04442	8.7
162.03134	3.7
162.04756	1.6
163.00136	1.2
163.03848	6.3
163.14842	1.5
164.04668	16.2
165.01816	7.5
165.05481	59.5
166.05783	4.0
167.07005	1.1
169.01360	6.3
169.04982	1.8
173.04437	2.0
174.03116	2.5
175.00278	23.5
175.03836	7.2
176.01082	32.3
176.04391	2.6
177.01767	6.7
177.05379	1.9
179.03513	2.0
179.05569	2.7
179.07088	5.6
180.02672	1.1
180.04210	5.2
180.06534	2.9
181.08621	2.3
189.01874	6.8
190.02621	68.3
191.03404	47.6
192.03893	1.5
193.05025	3.0
194.02077	1.3
195.04872	1.2
195.06569	7.1
205.04993	76.3
206.05362	4.6
207.02992	1.8
207.13860	5.6
209.04472	5.6
209.11845	1.3
217.01329	2.5
219.02997	1.3
223.06026	16.6
231.03070	2.0
232.03664	1.5
235.06026	2.5
238.69331	1.3
249.14890	3.1
251.05510	2.5
253.14417	2.1
255.15852	1.6
265.07108	3.4
267.15976	20.9
269.14050	1.4
283.10355	13.9
287.15079	2.3
289.07196	1.3
295.08228	3.0
300.02942	2.0
300.99988	2.4
337.09302	3.7
338.09818	1.5
341.06723	3.4
353.08701	14.7
355.07938	1.5
367.05707	2.5
367.10352	50.3
368.10712	4.8
371.24542	3.9
385.22372	3.7
400.24313	2.0
401.24625	1.6
437.06229	1.4
495.12891	3.9
518.14703	3.7
533.16705	100.0
533.24377	5.7
533.29266	9.2
534.17212	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	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06945	0.5
53.15883	0.5
56.01423	0.5
59.01248	100.0
60.01590	0.7
61.98703	0.7
63.95611	0.4
69.24941	3.2
69.25371	2.0
98.20626	0.9
102.59110	0.4
162.43060	0.5
225.53191	0.5
269.29935	0.6
318.05502	0.6
335.67896	0.5
441.30603	0.7
487.30951	1.6
531.30328	1.8
533.99768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39765	0.3
59.01250	100.0
60.01582	1.1
61.43941	0.3
61.98702	0.4
70.80377	0.8
112.10496	0.3
133.18600	0.3
160.10764	0.3
203.28270	0.3
251.34123	0.3
306.16855	0.3
522.79999	0.3
531.07355	1.1
531.36255	0.6
532.07928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
57.13883	0.4
59.01252	5.2
61.98700	2.8
67.49471	0.3
69.03340	0.4
69.98967	1.7
70.35018	0.4
71.01254	2.9
72.99198	0.4
73.02824	1.1
75.00746	0.5
84.86174	0.4
85.02837	1.4
87.04353	0.8
89.02315	1.6
93.03344	0.4
95.01239	0.5
96.95890	6.1
97.02837	0.5
97.06470	0.5
98.20155	0.9
99.00765	0.5
101.02313	2.1
107.01274	1.0
109.02840	2.3
110.03151	0.6
111.00762	0.9
113.00616	0.4
113.02354	1.2
117.03416	0.4
117.05549	0.4
119.03322	0.4
119.04910	1.0
119.62894	0.4
123.00761	1.4
123.04401	0.9
124.01608	0.7
125.02345	10.4
131.04942	0.9
132.01976	0.4
134.03619	0.8
135.04396	1.3
136.98729	0.5
139.00262	0.7
140.01068	0.6
145.02832	1.3
147.04424	2.7
151.00284	1.5
151.03917	0.8
151.80615	0.4
156.99500	0.5
159.04445	0.4
160.01543	0.8
161.02332	1.3
161.04535	0.7
163.03905	4.0
165.05492	2.9
168.00546	1.7
169.01337	18.3
170.01688	0.7
173.02370	3.4
174.03143	80.9
175.03865	14.9
176.04312	0.7
178.76802	0.5
179.03464	1.1
180.04167	1.1
183.04431	0.5
187.03882	3.1
188.04784	0.4
189.01964	0.5
189.05551	0.7
190.02631	0.5
191.03403	0.7
193.04984	0.5
194.99350	0.8
195.06546	1.5
199.03905	1.0
200.04668	1.7
201.00224	0.6
201.01869	3.0
201.05380	1.5
205.04974	1.2
209.06114	0.4
211.02431	5.9
211.04172	0.7
215.03497	0.6
217.01479	0.7
217.05008	9.8
218.02156	100.0
219.02545	7.4
219.06523	1.0
227.03497	0.5
229.05040	7.7
230.05258	0.4
241.03441	3.9
243.02853	1.2
247.06111	2.9
259.06055	1.3
260.06421	1.0
261.04077	1.0
261.06607	1.0
261.71881	0.4
271.04602	18.5
272.05014	1.3
283.10385	0.5
291.05154	0.6
297.06519	0.7
300.02704	0.5
300.99814	0.5
301.05688	6.3
313.05682	9.9
314.06027	0.8
315.07202	0.7
331.06680	1.8
337.09201	0.9
367.10281	1.1
370.10089	0.5
371.10260	2.0
381.08252	1.5
425.12262	0.4
471.08527	0.4
489.10400	24.6
490.10571	3.0
515.15454	0.5
533.09351	45.2
533.22681	2.0
534.09680	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01601	1.1
61.39613	0.3
71.82969	0.3
83.53989	0.3
337.50781	0.4
515.37512	0.4
556.64166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01446	0.4
54.24675	0.3
57.03316	0.8
59.00957	0.6
59.01247	12.2
61.98687	1.3
70.84586	0.3
71.01243	4.7
71.50195	0.3
72.99148	0.6
73.02824	0.7
83.04877	0.5
83.32352	0.4
85.02821	1.6
87.00726	0.8
89.02322	4.6
97.06462	0.4
101.02324	5.3
113.02331	3.0
113.09613	1.7
119.03374	1.5
126.60950	0.3
143.03404	0.7
161.04500	2.2
177.12778	0.5
177.21848	0.4
178.10449	0.4
179.05544	1.2
179.14339	0.5
181.12231	0.7
195.13829	14.6
196.14146	1.2
223.47739	0.3
253.09256	23.4
254.09569	1.0
277.21713	15.0
278.22116	1.1
291.92838	0.4
295.22763	100.0
296.23126	9.4
360.22464	0.3
367.90533	0.4
425.53891	0.3
441.03961	0.4
471.30722	0.5
531.29114	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	531.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
58.00473	1.1
59.01247	20.8
61.98706	5.0
69.54536	2.1
69.54932	5.2
71.01251	18.8
72.99162	1.9
73.02816	7.3
75.00752	1.7
75.50108	0.8
79.01819	0.7
81.03330	1.0
83.01259	3.2
83.02368	0.8
85.02818	7.6
87.00744	1.3
89.02309	8.8
93.03326	3.1
95.01266	1.6
96.95879	1.0
97.02834	1.5
99.00750	3.1
101.02320	12.9
107.04914	1.0
108.32605	0.8
111.00743	0.8
113.02308	8.5
117.02599	0.6
117.03341	19.9
119.03470	2.4
119.04906	59.6
120.05255	2.5
121.02835	4.0
123.04390	0.9
125.02319	3.1
131.03406	1.9
132.02101	1.0
132.05705	2.0
133.02800	1.5
133.06473	12.8
134.03647	6.3
135.04442	4.6
136.04713	0.8
137.02321	0.9
141.87874	0.9
143.03366	1.1
145.02849	89.6
146.03227	3.9
147.04420	2.0
149.05978	50.6
150.06313	2.6
159.02933	1.6
159.04376	2.0
160.01561	11.0
161.02348	2.7
161.04483	5.6
161.05962	34.8
161.09625	0.9
162.06284	1.3
163.03911	68.1
164.04315	2.5
165.01903	0.9
169.01408	0.9
174.03123	1.8
175.02437	0.8
175.03894	20.6
176.01083	1.6
176.04250	1.8
176.96829	1.4
177.01834	0.8
177.05495	9.1
179.03424	0.9
183.10152	1.4
187.03886	4.3
188.04274	0.7
190.02643	2.5
191.03397	2.3
193.01286	1.4
193.04980	22.2
205.04991	45.8
206.05336	1.7
235.06076	47.4
236.06412	3.3
237.14690	0.9
265.07144	100.0
266.07538	7.1
323.07626	1.7
325.09213	9.1
337.09296	12.0
338.09631	1.3
353.08948	2.0
355.10342	13.0
356.10815	1.9
367.10236	1.5
369.09644	1.1
399.23859	5.7
531.16022	8.6
531.28461	21.5
532.15381	2.5
532.28076	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	531.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.5
59.01244	9.7
61.98700	0.9
70.52092	0.7
70.52476	1.5
71.01247	8.3
72.97408	0.4
72.99180	0.9
73.02819	1.6
79.75345	0.4
83.01254	0.9
85.02799	2.6
87.00784	0.9
89.02313	5.4
93.03333	0.8
96.95874	1.4
97.02822	0.5
99.00758	1.6
99.04373	0.5
101.02324	4.8
109.02820	1.1
111.00765	1.7
113.02341	2.4
119.03413	1.0
121.02850	0.7
122.20674	0.5
123.00738	1.0
123.04382	0.7
125.02322	3.0
127.03944	0.5
131.03372	4.2
135.04393	0.8
137.02351	1.0
139.00258	2.4
140.01033	3.0
141.01750	0.6
143.03397	0.7
145.02890	0.5
147.00816	0.7
147.04437	0.9
149.02365	3.7
149.04430	1.8
149.05771	0.4
153.01826	0.9
158.03636	0.6
159.04414	100.0
160.04745	4.4
161.02356	0.7
161.04536	0.9
161.05890	0.4
163.00214	0.6
163.03931	0.7
163.06006	1.0
164.03481	0.5
164.04649	2.2
165.01833	0.4
165.98975	0.5
166.99805	2.8
167.03424	0.5
168.00443	0.6
169.01300	1.8
173.04405	0.4
175.00272	4.7
175.03937	1.3
177.01830	0.7
177.05473	11.3
178.05830	0.5
179.07045	0.6
183.02945	0.6
184.00038	5.2
185.00717	0.7
187.03955	0.4
190.02655	10.4
191.03134	0.7
191.05481	2.2
205.05008	12.2
221.04544	0.7
223.06015	5.3
265.07172	1.7
275.01947	0.7
277.78445	0.5
293.08813	1.3
295.08224	0.6
300.99762	1.5
311.09927	0.5
325.09283	0.6
339.10818	22.6
340.11142	1.9
356.04013	0.6
357.09805	0.7
367.10641	2.5
367.14542	0.6
427.12622	0.9
471.15039	30.4
472.15405	3.9
474.66974	0.5
493.13284	1.0
511.75607	0.5
513.16132	0.9
531.17102	21.6
532.17688	3.3
546.99512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95142	0.7
59.01256	4.7
61.98701	4.3
69.98156	4.0
71.01241	4.2
73.02824	1.7
74.52793	0.9
78.62318	0.8
85.02799	1.9
89.02320	1.3
96.95868	2.8
98.19876	1.1
98.95474	1.1
101.02300	2.6
104.72669	0.7
108.02039	2.1
109.02830	74.5
110.03159	2.5
111.00796	0.9
111.30090	0.7
113.02289	1.4
119.04928	1.2
125.02309	1.7
128.85712	0.7
145.02905	1.0
161.04424	1.9
163.03888	2.7
169.01312	1.9
171.04256	0.8
173.02336	1.5
174.03078	2.6
175.03891	5.8
183.04433	25.7
184.04765	1.9
186.55055	0.8
187.03925	3.3
193.04791	1.0
199.03954	6.6
200.04703	32.4
201.05193	2.7
209.02335	3.1
218.02271	1.3
227.03452	28.9
228.03761	2.1
244.03674	1.0
249.05540	1.1
258.05249	1.5
259.06085	90.3
260.06445	7.3
277.05029	1.5
295.06122	4.9
327.09958	0.9
369.09744	100.0
370.10068	12.3
371.10001	1.3
399.23682	1.3
406.64844	0.9
531.27740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03312	1.5
58.00457	0.5
59.01247	13.6
61.73506	0.3
61.98697	3.4
69.03339	0.8
69.32526	2.5
71.01254	13.6
71.04893	0.7
72.01598	0.4
72.99164	1.0
73.02818	4.4
75.00740	2.8
79.96671	0.3
81.03350	0.6
83.01242	1.7
83.41110	0.3
85.02824	5.2
87.00735	1.7
87.04379	0.8
89.02306	6.5
93.03337	0.7
95.01270	1.0
95.04893	1.0
96.95889	0.9
97.02832	0.7
99.00753	2.2
99.04384	1.0
101.02324	9.2
101.02998	0.5
101.05972	0.4
102.02625	0.3
109.02837	0.5
110.80669	0.3
111.00754	0.4
113.02329	4.9
115.00238	2.0
117.03342	29.9
118.03675	1.1
119.03401	1.2
119.04915	9.0
121.02817	1.2
123.00735	0.4
123.04400	0.8
125.02347	2.5
129.09190	0.3
131.03395	2.1
133.02861	0.5
133.06517	0.7
134.03613	0.6
135.02873	3.7
135.04399	1.2
137.02354	0.5
143.03380	0.8
145.02850	100.0
145.21878	0.3
146.03197	4.6
147.04433	0.6
149.02361	3.0
149.04463	1.7
149.05922	0.7
150.02943	0.4
151.03870	0.4
158.03725	0.4
159.02907	0.5
159.04459	1.1
160.01563	0.8
161.02409	1.6
161.04465	4.7
161.05975	2.4
162.04762	0.3
163.03912	13.4
164.04724	2.6
165.01843	0.6
173.04504	0.3
175.00308	1.8
175.02390	2.6
175.03940	1.9
176.00980	0.5
177.01871	0.5
177.05499	0.9
179.03510	0.5
179.05530	0.7
179.07054	0.8
181.08609	1.2
183.10197	1.1
187.03934	4.6
188.04402	0.5
189.01839	0.6
190.02638	5.4
191.03371	1.6
191.05424	0.6
193.01338	0.5
193.05019	0.6
205.05016	8.7
206.05658	1.4
207.02989	0.5
207.06461	0.4
208.03651	0.8
209.04489	0.5
217.04948	0.4
221.08127	1.4
223.06046	4.6
224.06514	0.4
235.06123	1.8
237.07672	0.4
247.06039	0.5
249.15099	0.4
250.04684	0.4
251.05623	0.6
251.16534	1.0
253.04991	2.1
265.07117	6.7
266.07788	0.4
267.16016	0.7
281.12360	0.3
289.07220	0.3
293.08945	0.3
295.08371	1.6
297.11899	0.5
300.99890	0.7
307.08240	0.7
325.09290	2.8
347.16922	0.5
349.18469	0.4
351.21756	0.5
353.08679	2.1
353.85849	0.3
367.10309	11.9
368.10547	0.7
369.22632	1.4
370.04001	0.4
383.11523	0.4
385.11395	0.6
398.22626	0.5
399.23831	5.6
411.10611	0.5
413.12347	1.8
413.21841	0.8
443.23264	0.4
471.12906	1.0
530.26862	0.4
531.15045	6.0
531.27692	10.0
532.15839	0.7
532.29120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	3.4
60.35152	0.6
61.98701	2.2
69.20187	6.7
71.01247	2.5
85.02836	0.9
89.02316	1.4
96.95896	1.5
101.02325	1.3
103.42670	0.6
108.02038	2.0
109.02832	88.1
110.03174	3.5
113.02327	1.2
117.02195	0.6
119.03397	0.6
119.51115	0.6
125.02367	1.4
135.04422	0.9
155.25963	0.7
160.03923	1.7
161.02321	1.2
163.03992	0.6
171.04416	1.7
173.02327	1.0
174.03133	1.6
175.03922	1.1
183.04437	28.4
184.04759	1.7
187.03940	2.7
189.05438	0.5
199.03891	6.7
200.04709	41.0
201.05138	3.3
209.02441	3.3
210.02719	0.9
226.02766	0.8
227.03445	33.9
228.03882	2.7
244.03732	1.8
258.05228	1.5
259.06085	100.0
260.06409	8.1
277.04910	0.7
295.06030	6.0
369.09750	91.0
370.10059	11.1
531.28229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
57.03325	4.0
58.00470	2.1
59.01250	43.5
60.01579	1.7
61.98712	3.9
69.03322	1.3
69.17836	13.7
71.01252	44.5
71.04878	2.6
72.99171	8.4
73.02802	9.2
75.00744	59.8
81.03326	10.2
82.42149	1.4
83.01261	5.0
85.02824	13.6
87.00744	32.5
89.02318	16.1
95.01264	3.7
99.00751	5.6
99.04374	8.8
101.02328	20.5
109.02825	1.9
113.02331	11.3
115.00250	49.1
115.01064	2.5
117.01818	4.7
117.03351	5.3
119.03342	3.1
119.04875	2.1
121.02842	15.7
125.02333	2.7
127.00285	2.3
129.01830	1.3
131.03392	2.8
132.02048	5.3
133.02850	34.8
134.03639	8.6
135.02882	100.0
135.04407	52.7
135.05450	3.1
136.03226	2.8
136.04742	2.2
137.02338	3.2
137.09583	3.1
145.02853	9.5
147.04457	1.5
148.01553	5.6
149.02367	12.0
149.04790	1.5
149.05972	8.1
150.03076	2.2
151.03931	2.2
160.01564	9.7
161.02348	81.2
161.04375	11.6
161.05772	2.7
162.02728	3.8
163.03915	28.7
163.11189	1.4
175.02393	80.6
175.03912	17.9
176.01067	2.0
176.02716	2.1
177.05482	16.6
179.03421	50.8
180.03708	2.8
190.02635	4.5
191.03090	2.6
193.04959	3.1
195.27119	1.6
203.03535	1.8
205.05009	3.5
207.13776	2.0
220.07346	4.9
221.04472	28.6
222.04782	2.2
251.05574	31.4
251.16418	3.1
252.05728	1.5
254.05766	2.4
269.08234	8.6
281.06647	59.2
282.06879	2.9
283.06122	2.3
337.09692	4.5
341.08707	23.4
354.11127	6.1
369.13580	7.5
369.18109	1.6
369.22580	4.4
383.11328	14.0
384.11603	2.9
385.12930	1.8
395.11227	6.8
399.23984	7.8
411.10901	10.8
413.12415	54.8
414.12830	8.1
415.13882	6.1
427.13858	2.8
453.11859	4.7
454.63336	1.7
471.12851	7.9
483.12878	2.7
513.14246	3.3
531.15271	20.9
531.24017	12.2
532.15588	4.5
534.21381	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	531.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33675	0.3
53.92348	0.3
55.01753	0.4
59.01245	3.0
61.98686	0.7
69.32928	1.3
69.33350	1.9
71.01252	2.8
72.37312	0.3
72.99118	0.3
73.02786	1.0
75.05140	0.3
85.02807	0.8
89.02298	0.8
92.02557	0.6
93.02869	0.3
93.03345	2.7
95.01253	1.1
98.19776	0.7
99.00733	0.4
101.02303	1.7
107.04851	0.4
108.02053	2.7
109.02837	0.6
113.02319	0.7
115.00262	0.3
117.03328	2.1
119.04890	2.2
121.02843	0.5
121.06461	0.5
132.02054	5.2
133.02823	0.9
134.02660	0.7
134.03629	9.0
135.02888	0.5
135.04439	0.8
137.02313	0.7
145.02855	5.2
147.04434	1.4
149.05981	100.0
150.06316	3.8
158.03676	0.6
159.04517	0.4
160.01572	22.4
161.02364	2.2
161.04564	0.8
161.05974	1.3
163.03918	3.1
165.01859	0.9
168.00694	0.5
175.03922	32.5
176.04309	1.4
177.05539	0.4
178.02652	0.9
179.03397	0.8
183.02875	0.5
190.02689	0.5
191.07065	0.6
192.00601	0.9
193.01439	2.7
193.04993	32.8
194.05406	1.8
202.02710	2.1
205.04987	1.9
211.06056	0.6
221.04463	0.4
235.06033	2.1
259.06299	0.6
265.07156	4.3
278.05994	0.8
295.06165	0.9
322.06906	0.3
323.07590	2.0
325.09607	0.7
337.09290	27.2
338.09705	2.3
355.10327	33.0
356.10577	3.1
356.13873	0.3
368.09473	0.4
369.09949	1.3
378.74945	0.4
399.23862	0.5
443.98376	0.4
531.15405	12.1
531.22412	0.8
531.28656	0.7
532.15985	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	529.3532
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
51.40502	0.4
54.94763	0.5
59.01248	100.0
60.01594	1.3
60.41391	0.4
61.98710	0.7
93.03338	0.7
102.62576	0.5
122.92253	0.5
158.38557	0.5
165.11948	0.4
171.70041	0.5
173.04460	0.6
277.21829	0.8
283.13443	1.3
328.25330	0.5
529.30756	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	529.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28133	0.3
59.01249	100.0
60.01573	0.7
70.83974	1.2
72.64927	0.4
77.84197	0.4
80.96409	0.5
96.95846	0.5
144.80771	0.4
193.68547	0.4
215.24294	0.4
253.09279	0.5
271.30093	0.4
288.06863	0.4
293.21329	1.2
469.33643	0.6
529.35828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31483	1.3
57.68081	1.2
59.00958	2.5
59.01248	45.2
60.01575	3.9
61.01661	4.2
61.98700	100.0
70.79212	4.4
71.01253	7.3
73.02809	1.6
78.95770	3.4
85.02837	1.5
89.02293	4.7
101.02328	4.1
113.02280	1.6
117.81264	1.6
125.02298	2.4
125.09649	1.4
131.03476	1.4
149.04442	1.8
152.99458	1.8
153.82065	1.5
161.04396	1.5
168.37407	1.5
170.12604	2.4
171.10191	2.1
175.03758	1.4
183.01524	1.4
209.11775	2.2
223.13289	1.6
235.16928	6.6
236.17296	4.8
251.25806	1.4
293.21054	3.2
294.21234	1.9
356.07120	1.5
453.29810	1.8
470.31265	2.5
530.34363	1.6
531.29956	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08841	0.7
53.20556	0.7
55.01761	2.3
56.02682	0.7
56.06512	0.7
56.11865	0.8
56.79620	0.8
57.03321	5.2
58.00455	3.8
59.01252	75.5
60.01579	1.0
61.98713	4.4
69.03321	1.7
69.17326	4.2
69.17751	4.6
71.01254	80.8
71.04929	0.9
72.01616	0.9
72.99174	5.7
73.02823	21.9
75.00739	3.9
79.46381	0.8
81.03351	1.6
82.95289	5.7
83.01251	7.1
83.02389	0.8
84.31835	0.8
85.02822	27.2
87.00768	4.0
87.04382	1.0
89.02319	66.8
93.03312	1.4
95.01254	4.6
95.41615	0.8
96.95889	1.1
97.02830	3.0
98.19838	1.5
99.00764	15.4
99.04397	1.9
101.02324	51.8
102.02640	1.2
108.02061	4.7
108.85139	0.8
109.02857	4.4
111.00763	1.7
113.02328	28.7
114.33386	0.9
115.03888	1.4
117.03355	2.8
119.03393	13.2
119.04926	2.4
121.02829	0.8
122.03732	1.0
123.04416	1.7
125.02337	6.5
129.01834	1.5
129.05453	0.8
130.04134	1.4
131.03400	26.5
131.04872	5.9
132.02086	2.0
133.02827	9.0
134.03618	18.6
135.02911	1.4
135.04434	14.3
135.06529	1.4
136.01546	0.9
136.04762	1.2
137.02347	3.6
141.01889	0.9
143.03416	6.0
145.02867	6.6
147.04407	7.9
148.05257	1.3
149.02541	1.1
149.04468	22.1
149.05981	6.8
151.03917	1.3
152.01082	5.1
153.01828	2.4
155.96695	0.8
158.03619	1.3
159.02907	3.9
160.01559	14.4
161.02390	21.8
161.04453	27.8
161.05830	1.3
162.04823	1.1
163.03944	4.9
169.01315	1.0
173.02330	1.6
174.03130	17.8
175.03922	100.0
176.04558	10.2
177.01884	2.3
177.05473	4.8
177.09152	2.2
178.02609	3.3
179.03415	15.6
179.05537	5.6
183.10272	1.0
185.11832	1.0
189.01874	1.3
190.02640	1.4
191.03581	1.4
191.05516	11.1
191.07097	11.9
192.04276	1.1
193.04985	27.0
193.12212	1.7
194.05316	1.9
202.02548	1.3
203.03505	0.8
205.01535	1.1
205.03439	1.5
205.05113	1.1
207.06548	5.8
207.13872	1.2
217.04993	2.0
217.20052	0.8
220.03709	1.2
221.04620	6.0
221.15413	2.2
233.06566	1.5
235.06075	30.3
235.38142	0.8
236.06496	2.6
237.11282	8.2
237.14943	2.2
250.15434	1.1
251.05525	7.4
251.07652	1.3
251.16498	9.8
265.07178	17.2
266.99341	1.1
267.15970	1.4
270.99036	1.1
271.02399	1.0
279.10892	1.4
281.06641	12.5
282.06992	1.1
293.08960	0.8
295.08218	25.4
296.08481	1.6
297.11853	3.4
299.01880	1.1
299.99091	3.3
307.07990	1.5
325.23846	1.0
327.18069	1.0
337.09232	2.9
341.08713	5.0
347.17181	1.3
355.10297	4.5
369.22833	6.9
399.23837	38.9
400.24188	2.5
413.21808	6.9
417.90906	1.0
443.23111	3.7
530.26660	1.9
531.03687	1.9
531.18396	1.4
531.28809	39.0
532.29089	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	529.3534
Annotation	Rubianol b
Peak:m/z	Relative Intensity
51.32500	0.5
52.41623	0.5
52.51377	0.6
59.01249	100.0
60.01578	1.0
61.98691	1.0
71.50430	0.7
71.50910	0.6
98.78441	0.5
153.27414	0.5
220.02707	0.6
224.78517	0.6
253.09268	0.6
293.21286	1.4
412.41855	0.6
469.33334	1.3
469.56918	0.7
529.35498	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	529.3531
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01248	100.0
60.01589	1.2
61.98703	0.8
71.49125	0.6
82.61979	0.6
89.02294	0.6
100.06402	0.6
113.35744	0.6
172.33720	0.6
227.82625	0.6
293.21359	1.9
334.00620	0.7
358.70029	0.7
400.17957	0.6
447.31381	0.7
529.35437	3.5
539.82635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01740	1.2
57.03331	3.0
58.00459	0.8
59.00964	1.1
59.01251	18.9
61.98675	0.5
62.86668	0.5
67.01751	0.7
67.34596	0.5
68.99664	0.7
69.03313	0.6
69.78790	1.1
69.79179	1.2
71.01250	22.3
72.99181	7.3
73.02809	1.9
75.00744	19.8
77.92857	0.4
78.95760	2.4
80.04201	0.4
83.01250	1.0
83.04936	0.5
85.02821	27.3
86.03178	0.6
87.00749	9.3
89.02309	5.3
94.50085	0.4
95.01270	6.5
99.00751	11.6
101.02309	0.9
103.00241	3.3
103.38808	0.6
111.00749	1.3
113.02326	35.3
114.02648	0.6
115.00236	1.7
117.01844	2.5
129.01810	1.9
131.03380	0.7
139.00227	0.7
152.99524	0.6
157.01326	1.5
160.48691	0.5
175.02377	4.8
193.03462	0.9
205.07076	3.0
207.05037	0.6
223.08157	1.4
224.06937	1.1
231.05002	1.3
249.06125	9.4
253.09308	0.5
255.23248	12.7
267.07166	9.6
277.21970	0.8
279.23273	71.9
280.23636	7.0
293.21228	1.0
469.28058	1.1
480.30978	8.4
511.28894	2.8
529.30164	100.0
530.30554	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	529.3532
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.1
61.98692	0.8
69.20237	6.2
69.20530	0.5
76.69516	0.6
86.59119	0.6
98.19806	0.9
154.19612	0.5
161.91293	0.5
172.87103	0.5
185.99722	0.6
246.11986	0.5
253.09271	0.7
264.26672	0.6
280.81726	0.5
293.21204	1.6
349.81064	0.7
351.20377	0.5
449.17737	0.7
454.75806	0.6
469.33279	1.2
529.35406	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60851	0.2
50.74088	0.2
55.01767	0.3
57.03328	0.3
58.00469	0.4
59.01249	8.7
60.29803	0.2
61.22667	0.2
69.03323	0.2
71.01253	5.8
72.99174	0.5
73.02826	0.9
75.00742	0.2
83.01261	0.7
85.02824	1.1
87.00748	1.0
89.02318	6.0
91.03879	0.3
95.01280	0.4
95.04899	0.2
97.02837	0.4
97.83705	0.2
101.02326	6.2
102.03166	0.2
111.08029	0.4
113.02327	3.1
113.09621	0.4
119.03378	1.9
125.02380	0.4
143.03416	0.7
146.97762	0.2
149.74467	0.2
161.04472	3.5
167.10727	0.4
167.85487	0.2
174.44901	0.2
177.12808	0.2
179.05582	1.0
179.14352	0.6
195.13843	8.9
196.14377	1.0
205.12276	0.8
205.15889	0.4
211.13348	0.6
223.13333	5.5
224.13847	0.5
228.13603	0.8
231.21101	0.4
235.08298	0.2
235.16949	0.3
249.21992	0.3
253.09268	30.3
254.09569	1.6
256.13116	1.4
265.21698	0.5
275.20160	5.4
276.20468	0.5
293.21222	100.0
294.21542	10.4
492.22260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.5
59.60778	0.8
62.12337	0.8
68.00299	1.0
70.00739	3.5
71.01244	6.2
76.46620	0.9
85.02828	1.9
87.00771	0.9
89.02312	4.0
95.05901	0.9
101.02327	7.2
102.93572	0.8
103.10056	0.8
113.02329	2.5
119.03339	1.9
159.55612	0.9
160.66757	1.0
161.04416	1.8
179.05577	1.0
195.13857	8.2
205.12248	1.0
223.13330	6.1
228.13660	1.2
253.09283	30.0
254.09644	2.1
256.13086	1.3
275.20062	5.3
293.21231	100.0
294.21613	8.5
335.02066	0.9
364.61206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36190	0.3
52.63017	0.4
55.01765	0.5
57.03337	0.4
58.00477	0.6
59.01248	35.0
60.01587	2.8
61.01661	1.5
61.98694	6.5
69.42943	0.3
69.81883	0.3
70.25887	1.4
71.01252	8.0
73.02814	1.8
76.02234	0.4
80.14596	0.3
83.01250	0.9
85.02820	2.2
87.00738	1.3
89.02316	7.2
95.01279	0.8
99.00755	0.6
101.02319	7.6
101.08543	0.3
111.08036	0.7
113.02332	4.1
119.03395	1.5
125.02371	0.8
131.03394	0.7
143.03351	0.5
149.04492	0.4
161.04451	3.9
167.10754	0.4
167.69710	0.4
177.12723	0.4
179.05524	1.4
179.14328	1.1
193.48952	0.4
195.13840	10.1
196.14375	1.0
205.12321	0.7
205.15855	0.5
211.13297	0.7
223.13327	5.2
224.13664	0.5
228.13721	0.5
231.21260	0.5
235.16998	1.4
253.09264	31.2
254.09610	1.3
256.13153	1.2
275.20105	6.0
293.21210	100.0
294.21503	8.8
469.30655	2.2
492.21765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03335	1.5
58.00470	3.3
59.01246	73.6
61.98694	1.5
63.58962	0.6
69.03323	7.1
69.22710	3.0
69.23136	3.7
71.01250	76.3
72.96426	0.7
72.99171	4.8
73.02813	14.8
75.00739	4.1
76.63037	0.6
78.38167	0.7
81.03311	3.7
83.01252	4.3
85.02817	7.1
86.02608	0.6
87.00749	2.3
89.02313	100.0
90.02670	2.1
90.92880	0.6
95.01245	3.2
97.02834	12.2
98.03123	0.8
99.00752	24.1
99.04392	2.5
101.02319	32.9
109.02835	2.0
111.00726	1.4
113.02335	7.6
115.03887	6.0
117.01709	0.6
119.03378	1.6
121.46626	0.6
125.02332	41.7
126.02690	1.2
126.20882	0.7
127.03896	1.3
131.03397	13.6
135.33366	0.7
143.03391	4.4
149.04454	31.6
149.05658	1.5
161.04480	3.0
173.04439	1.0
174.03131	1.6
191.05525	12.2
215.17909	0.9
233.06615	23.5
234.06967	0.7
235.16991	19.4
237.31960	0.7
245.19064	0.9
259.17072	1.8
275.07730	1.1
277.18079	3.7
289.18082	4.0
293.08774	32.0
293.20770	0.9
294.09042	2.1
307.19116	2.2
529.28308	1.1
529.35693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.3
57.01970	0.1
57.03313	0.4
58.00461	0.8
59.01247	15.1
59.98396	1.8
61.98693	0.3
69.03329	1.0
71.01250	19.2
71.50370	0.2
72.01595	0.4
72.99181	1.0
73.02814	1.8
81.03327	0.6
83.01241	0.9
83.04882	0.4
84.92554	0.1
85.02816	2.8
87.00748	0.4
89.02313	24.5
90.02638	0.3
95.01261	0.8
95.04865	0.2
97.02829	2.0
97.06450	0.3
98.03646	0.2
99.00746	1.1
99.04390	2.9
101.02320	5.4
113.01539	0.2
113.02325	3.1
114.26273	0.2
115.03891	0.2
119.03368	0.9
125.02327	10.1
126.02682	0.3
127.87106	0.1
129.01857	0.2
131.03391	4.9
143.03395	1.3
149.04448	5.3
151.11182	1.3
161.04417	0.9
169.12257	3.0
169.78735	0.1
174.03134	0.3
189.16402	0.3
191.05545	1.2
195.10188	0.4
209.11780	2.4
210.12119	0.2
213.11279	0.7
227.12894	0.6
233.06610	1.5
235.16985	100.0
236.17325	8.8
253.09378	0.2
255.28853	0.2
257.93777	0.2
259.16946	0.2
277.18167	0.4
287.15048	0.9
291.19751	0.2
292.20108	0.2
293.05634	0.3
293.08774	4.3
293.20563	0.6
386.12564	0.2
416.34848	0.2
447.13425	0.4
497.27411	1.9
498.27823	0.3
529.27673	0.2
529.35632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63330	2.3
59.01250	100.0
60.97948	1.8
61.98696	25.6
65.60248	1.9
71.01256	26.9
71.51186	2.5
72.99178	2.4
73.02785	6.2
73.25820	2.0
74.98934	2.0
83.01244	3.1
84.63361	2.0
85.02793	8.2
87.00724	3.5
89.02304	19.7
93.03308	3.7
95.01242	3.4
96.95864	10.8
99.00744	3.8
101.02324	13.1
109.02811	3.5
111.00752	2.1
113.02314	13.5
117.03283	2.6
119.03352	8.5
119.04874	4.6
121.02812	7.4
123.04332	7.0
125.02312	6.8
126.41630	1.9
129.82056	2.2
131.03395	2.8
133.02805	3.0
134.03604	3.0
135.04369	8.2
139.00247	3.4
143.03296	2.6
143.06995	4.6
146.05688	2.0
147.00836	3.3
147.04341	3.4
149.02353	37.6
149.06076	2.4
151.03867	4.1
152.01006	4.7
153.01775	3.6
157.08600	4.6
161.02261	6.8
161.04425	6.5
163.03926	11.5
164.04695	38.5
165.01825	3.2
165.05327	5.1
166.06085	2.1
167.03395	1.9
169.01257	5.8
173.02260	2.6
173.04515	2.4
174.99005	2.1
175.00270	22.3
175.03891	3.5
176.00954	7.7
177.01746	4.6
177.05431	5.1
179.03270	2.6
179.05573	3.6
179.06982	11.7
189.01790	5.1
190.02643	64.3
191.03386	21.7
191.05051	3.4
193.04919	4.1
203.07082	2.9
205.03082	4.0
205.04988	66.3
206.05760	21.2
207.02846	6.9
207.06201	2.3
208.03650	8.6
209.04355	9.2
221.08144	33.1
223.06068	62.3
224.06274	4.0
235.02409	3.0
237.07632	10.0
247.05991	3.6
250.04707	9.2
251.05495	3.9
265.07166	93.7
266.07379	7.5
281.06479	4.0
295.08188	28.8
296.08279	3.1
300.02463	2.6
301.03287	3.7
307.99420	2.1
311.07669	10.2
315.84491	2.1
323.13449	87.5
323.63873	2.4
324.13507	6.0
325.09250	39.6
354.63556	2.0
367.07761	4.3
371.09555	8.1
380.99167	2.1
385.11386	13.6
447.06830	2.3
451.22870	2.8
455.15170	8.2
469.17303	15.3
470.16666	2.0
511.17490	2.8
529.19006	92.0
530.19824	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.1
57.03331	3.4
58.00460	0.8
59.01251	20.6
60.36231	0.5
67.01762	0.9
68.99675	0.9
69.03319	0.6
71.01253	22.5
72.99181	7.7
73.02823	1.9
73.90055	0.5
75.00744	20.1
80.96397	1.5
83.01265	1.2
84.02073	0.5
85.02823	28.4
86.03159	0.7
87.00749	9.5
89.02322	6.3
91.03895	0.6
95.01265	7.3
97.02802	0.5
99.00751	12.0
101.02322	1.7
103.00268	2.8
111.00766	1.4
112.01523	0.7
113.02332	39.9
114.02646	1.0
115.00254	2.4
117.01839	2.9
129.01839	2.3
131.03392	0.8
139.00209	0.8
149.04475	0.5
157.01305	1.0
175.02368	4.9
187.49092	0.5
193.03503	1.4
205.07103	3.9
223.08127	1.2
231.04939	1.2
249.06102	8.7
250.06337	0.9
267.07175	11.1
268.07504	0.5
277.21710	66.7
278.22040	6.8
291.19562	1.7
294.80347	0.5
321.64572	0.5
365.06622	1.4
437.30530	0.9
467.26096	1.1
509.27469	3.3
527.28546	100.0
528.28882	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	527.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01242	13.7
61.98711	2.1
66.91615	0.3
68.26144	0.3
71.01231	1.9
71.50363	0.5
72.99164	0.4
73.02814	0.5
74.98940	0.4
75.00729	0.7
78.95757	0.5
79.99883	0.3
81.03322	0.4
83.01255	0.4
85.02807	1.1
87.00737	0.6
87.04364	0.9
89.02284	0.9
93.03327	0.9
93.06937	0.4
95.01250	0.6
95.04876	1.7
96.95885	1.5
97.02812	0.9
99.04374	0.4
101.02310	1.2
104.61840	0.4
107.04907	1.2
108.02083	0.9
109.02828	9.1
109.06467	4.1
110.68985	0.4
111.00740	0.6
113.02292	0.5
117.03318	0.4
119.04907	4.4
120.99541	3.5
121.02840	6.5
122.03594	1.4
123.04406	1.6
125.02312	1.7
131.03433	0.3
133.02832	0.8
135.04396	6.5
136.04742	0.3
137.02396	1.8
137.05972	32.3
138.03122	0.5
138.06319	1.1
139.00325	0.4
139.03888	0.9
145.02873	0.8
147.04225	0.4
147.84065	0.3
149.02345	0.8
150.03110	0.8
151.03886	0.7
152.01044	0.5
153.01811	0.5
153.05440	0.9
159.04454	0.4
161.02333	2.6
161.04482	0.6
161.05945	0.7
162.03062	0.5
163.03940	1.2
164.01001	0.6
164.98131	0.5
165.01863	0.8
165.05489	1.3
167.03455	0.7
169.01355	0.7
173.06090	0.4
175.03957	0.7
177.01823	1.1
177.05507	0.8
179.03371	1.3
181.04970	100.0
181.08229	2.4
182.05309	4.5
187.03778	0.4
188.04749	0.6
189.01894	1.0
190.02475	0.8
191.05516	1.4
193.03244	0.4
195.06511	1.2
201.11295	0.9
203.07100	0.8
205.04977	1.7
211.04184	1.7
217.01321	0.7
218.74402	0.3
220.90903	0.3
223.06038	0.5
225.11086	0.3
237.07684	0.3
239.90181	0.3
245.08173	1.5
247.06093	0.6
289.07153	5.4
290.07800	0.5
291.06674	0.4
299.06003	1.9
299.99106	1.0
315.01413	1.5
325.09329	1.9
335.04980	0.4
335.20670	1.3
341.06601	2.1
342.06961	0.5
343.10306	22.1
344.10672	1.5
353.05975	0.5
366.06821	0.4
396.03284	0.4
495.12866	0.8
527.21356	12.5
528.21460	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	527.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71328	0.5
54.00724	0.7
57.03321	0.8
59.01250	8.7
61.98697	4.8
62.38734	0.6
69.03339	0.7
69.37022	4.1
71.01242	6.8
73.02814	2.9
78.91763	1.3
80.45431	0.6
83.01266	0.9
83.96632	0.6
85.02819	2.8
89.02322	3.5
91.01772	0.7
93.03323	1.3
95.01234	0.6
96.95879	0.7
97.02822	1.1
99.04400	0.7
101.02321	3.4
108.02027	0.7
109.02823	1.4
109.06479	0.8
111.00756	0.9
113.02322	2.1
119.01262	3.7
119.04884	1.3
121.02844	2.6
123.04390	0.8
125.02331	1.8
126.56731	0.7
131.03407	1.1
134.03647	1.4
135.04428	2.8
137.02341	0.8
145.02866	9.8
147.00806	3.0
147.04437	0.7
148.01559	1.8
149.02338	12.6
149.04265	0.6
150.03131	3.5
151.03947	1.3
152.01044	0.9
153.01868	0.6
157.06532	0.9
158.03636	100.0
159.04417	36.2
160.04773	2.0
161.02339	1.1
161.04404	1.1
163.03905	2.7
164.04704	8.9
165.01904	3.2
165.05502	1.1
166.02620	0.7
171.04384	2.3
171.05823	0.6
173.02409	4.4
173.05983	2.9
174.03123	0.9
175.00288	22.2
175.03889	1.4
176.01044	13.8
177.01691	1.6
179.07043	1.4
183.04431	1.3
184.05241	1.3
185.06009	1.1
189.01775	1.0
190.02637	62.9
191.03410	27.2
191.05336	1.6
192.03848	2.0
193.01350	1.2
194.02242	1.3
197.04619	0.9
201.05493	12.0
203.60387	0.6
205.04996	61.1
206.05362	4.9
207.02844	0.8
207.06676	0.6
208.03723	2.5
209.04547	3.4
213.05493	5.9
218.02029	1.1
221.08180	1.5
223.06044	10.5
247.06094	0.8
247.13385	2.2
251.05605	1.6
264.12039	0.7
265.07166	1.9
277.21750	0.9
295.08218	1.0
314.04312	1.5
315.05042	1.6
325.09338	3.9
329.17734	1.5
352.07520	1.0
353.08768	25.4
354.09003	1.8
355.10419	0.7
358.81454	0.6
365.06561	1.8
365.19437	3.0
367.10321	32.4
368.10526	3.2
398.64285	0.7
406.60388	0.9
425.25409	0.8
447.08905	1.1
467.25314	1.0
500.56158	0.8
509.17459	1.3
512.13312	1.0
527.15546	66.9
528.15814	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	527.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.6
59.00992	0.7
59.01249	7.2
61.98704	4.8
63.02270	0.9
63.85724	0.5
65.00198	2.0
69.42816	4.7
71.01260	4.6
73.02821	1.4
83.01263	3.5
85.02824	0.9
89.02320	5.6
93.03386	0.7
93.89219	0.6
95.01250	0.7
96.95872	0.6
97.06464	1.9
99.00778	0.9
101.02315	2.1
107.01260	3.2
111.00737	0.9
111.04430	0.8
113.02301	1.1
117.03318	0.9
121.02866	0.6
124.01554	0.9
125.02336	31.5
126.02659	0.9
129.82347	0.6
131.03389	1.8
145.02831	0.8
147.04430	0.7
149.02316	1.0
149.04465	1.7
151.00270	8.4
152.01016	1.9
156.60033	0.6
161.02324	3.4
161.05991	6.2
163.03812	0.8
163.07489	0.7
164.01021	1.4
165.01830	0.9
169.01326	1.3
173.02351	1.2
174.03125	2.3
175.03926	4.9
175.05228	0.7
178.99771	2.0
183.04408	1.1
187.00375	0.8
187.03923	11.4
188.04329	0.8
189.01857	5.5
189.05534	1.7
190.02534	0.8
192.00572	26.3
193.01335	6.3
199.03934	1.4
200.04762	1.3
201.05461	2.2
203.03369	0.9
205.01393	7.4
205.08580	1.4
206.01933	0.9
211.03987	0.9
214.02676	0.7
215.03419	3.5
218.02194	3.7
219.02927	3.0
225.05457	1.0
227.03485	1.2
229.04967	0.9
229.08664	0.6
231.02917	1.4
231.06560	0.7
232.03795	0.8
233.06557	0.9
233.15421	33.6
234.15768	1.9
239.07144	1.0
240.04150	0.9
241.12463	0.6
242.02328	0.7
243.06618	2.1
245.00810	0.7
245.04391	1.3
247.02602	0.7
247.05974	1.2
251.07158	1.1
255.63341	0.7
256.07260	0.7
257.08224	1.3
259.06091	2.0
261.07736	2.9
269.08173	1.1
275.05679	1.3
285.04153	2.0
285.07709	2.1
286.01172	1.4
287.09103	3.1
293.08820	3.5
297.07846	0.8
302.11609	2.3
303.06558	2.2
305.04416	0.8
313.07306	5.3
313.10596	0.9
315.08755	25.3
316.09073	2.6
329.04422	10.1
329.10358	0.7
329.13901	1.8
330.04980	1.1
330.11047	5.6
331.11755	2.6
333.03897	1.6
342.05338	0.8
343.08398	1.6
345.03955	2.0
346.04782	14.2
347.05545	15.3
348.05975	1.8
355.05988	0.9
356.08820	1.3
357.10104	3.0
358.10559	19.0
359.05954	1.4
359.10938	1.8
365.06598	3.2
365.17508	3.1
384.06830	1.1
385.06619	0.6
385.09317	0.6
386.09793	0.9
412.07990	0.8
413.10638	0.7
415.07736	0.9
429.08392	2.0
430.09027	100.0
431.09381	12.4
441.09824	0.7
459.10867	2.3
462.09454	2.5
491.13486	31.7
492.13785	5.8
527.15497	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	527.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48444	1.7
51.67788	1.8
59.01245	8.4
59.01501	1.5
61.98707	2.1
63.64217	2.1
68.99637	1.7
69.03325	1.8
69.72107	10.0
70.99776	1.9
71.01259	10.8
72.99172	2.0
73.02813	2.0
74.14679	1.7
79.01747	2.7
82.52242	1.6
83.01253	3.2
83.51450	1.6
85.02822	7.6
87.00745	3.6
87.04388	1.6
89.02309	6.4
95.01263	3.8
99.00715	1.9
101.02303	8.4
107.01257	8.5
108.02029	2.0
108.89221	1.7
111.00761	7.0
113.02328	5.5
117.03414	2.1
121.02852	3.8
122.03591	1.9
123.00766	22.5
123.04343	2.6
125.02336	52.6
126.02616	2.5
136.98749	3.8
137.02336	3.7
139.00267	10.5
139.03867	2.3
140.01025	7.9
141.01820	3.0
145.02740	2.1
149.02362	7.2
150.03108	22.7
151.00255	17.2
151.03900	4.9
161.02368	3.2
161.04497	1.8
162.03014	2.2
164.04707	4.1
165.05470	19.2
166.99777	3.9
168.00572	15.6
169.01328	90.0
170.01689	2.9
179.03448	2.9
181.04965	1.8
183.02887	8.3
191.05573	6.4
201.11226	5.0
211.02478	7.0
225.04037	7.5
271.04636	4.3
283.10364	8.9
285.06122	10.9
291.06500	6.4
293.04575	5.7
294.04721	3.2
297.06119	2.7
299.98868	1.9
300.99884	9.0
301.99484	1.9
313.05640	22.0
314.06012	2.1
327.07330	2.5
335.05835	2.8
353.06552	2.8
385.07813	11.7
385.99524	2.0
479.11951	87.3
480.12036	10.6
491.11896	2.9
509.12860	17.8
510.13055	2.2
527.13983	100.0
528.14056	13.4
553.50952	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
57.70948	0.4
58.00470	0.8
59.01252	16.5
61.98703	66.4
62.98409	1.2
63.99128	9.5
69.03326	0.5
71.01251	12.3
71.01621	0.8
72.99198	1.0
73.02818	5.0
75.00758	1.2
75.36653	0.4
83.01267	1.0
85.02817	3.3
87.00748	1.2
89.02313	16.6
93.03367	1.3
95.04890	3.1
96.95905	1.5
97.02850	0.7
99.00751	5.3
99.04404	0.8
101.02320	8.3
109.02827	0.9
109.06480	0.6
113.02342	3.8
115.03873	0.5
117.03363	2.4
119.03403	1.0
119.04915	0.8
121.02872	0.9
121.10159	0.5
123.04395	0.7
125.02347	2.1
131.03418	2.9
131.04918	0.6
134.03645	1.5
135.02921	1.7
135.04411	0.8
137.02330	0.5
137.06001	1.2
137.09634	1.6
138.01892	2.4
138.02855	0.5
139.00287	1.0
139.03937	0.8
145.02855	1.7
147.04437	0.7
149.02426	1.0
149.04466	9.4
149.05736	0.9
151.07576	0.7
153.09132	1.0
155.10661	0.6
157.02896	0.5
158.03690	0.9
160.01566	3.8
161.02361	18.8
161.04501	1.4
161.09633	0.9
162.02803	0.9
163.03860	2.5
163.07570	1.0
165.01941	0.4
165.09132	2.5
169.01314	0.6
173.02376	1.9
174.03152	9.7
175.00359	1.1
175.03908	7.5
176.01144	0.5
177.09140	0.5
181.08607	3.0
183.10173	1.2
187.03964	1.1
187.11147	0.7
188.01076	5.0
189.01860	100.0
190.02565	10.4
191.03201	0.5
191.05557	2.5
193.04941	0.8
199.09712	1.7
200.01100	0.8
201.01907	1.4
202.02637	3.9
203.03406	1.7
205.05002	2.9
205.12386	0.5
207.02882	0.6
209.11807	0.6
210.99010	0.5
218.02153	22.1
219.02579	2.1
221.06549	0.6
223.09694	2.6
229.56862	0.6
231.02927	1.1
247.13332	0.6
249.11336	0.8
265.07141	0.9
277.05026	0.8
277.21704	0.6
282.80945	0.5
289.05151	0.8
317.04550	1.0
321.20581	0.7
329.04449	0.9
333.03601	1.0
335.05420	0.7
337.09363	1.0
345.15417	1.7
347.05588	2.9
347.18451	0.6
348.06390	0.6
361.03485	1.3
365.06638	3.7
365.19644	4.8
381.07755	0.7
395.20398	1.0
461.93646	0.6
465.32544	0.5
467.24753	0.8
483.33426	0.5
497.07220	1.8
509.11023	0.6
509.22131	0.5
526.23712	0.8
527.12042	14.1
527.24634	7.4
528.12708	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	527.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
57.70948	0.4
58.00470	0.8
59.01252	16.5
61.98703	66.4
62.98409	1.2
63.99128	9.5
69.03326	0.5
71.01251	12.3
71.01621	0.8
72.99198	1.0
73.02818	5.0
75.00758	1.2
75.36653	0.4
83.01267	1.0
85.02817	3.3
87.00748	1.2
89.02313	16.6
93.03367	1.3
95.04890	3.1
96.95905	1.5
97.02850	0.7
99.00751	5.3
99.04404	0.8
101.02320	8.3
109.02827	0.9
109.06480	0.6
113.02342	3.8
115.03873	0.5
117.03363	2.4
119.03403	1.0
119.04915	0.8
121.02872	0.9
121.10159	0.5
123.04395	0.7
125.02347	2.1
131.03418	2.9
131.04918	0.6
134.03645	1.5
135.02921	1.7
135.04411	0.8
137.02330	0.5
137.06001	1.2
137.09634	1.6
138.01892	2.4
138.02855	0.5
139.00287	1.0
139.03937	0.8
145.02855	1.7
147.04437	0.7
149.02426	1.0
149.04466	9.4
149.05736	0.9
151.07576	0.7
153.09132	1.0
155.10661	0.6
157.02896	0.5
158.03690	0.9
160.01566	3.8
161.02361	18.8
161.04501	1.4
161.09633	0.9
162.02803	0.9
163.03860	2.5
163.07570	1.0
165.01941	0.4
165.09132	2.5
169.01314	0.6
173.02376	1.9
174.03152	9.7
175.00359	1.1
175.03908	7.5
176.01144	0.5
177.09140	0.5
181.08607	3.0
183.10173	1.2
187.03964	1.1
187.11147	0.7
188.01076	5.0
189.01860	100.0
190.02565	10.4
191.03201	0.5
191.05557	2.5
193.04941	0.8
199.09712	1.7
200.01100	0.8
201.01907	1.4
202.02637	3.9
203.03406	1.7
205.05002	2.9
205.12386	0.5
207.02882	0.6
209.11807	0.6
210.99010	0.5
218.02153	22.1
219.02579	2.1
221.06549	0.6
223.09694	2.6
229.56862	0.6
231.02927	1.1
247.13332	0.6
249.11336	0.8
265.07141	0.9
277.05026	0.8
277.21704	0.6
282.80945	0.5
289.05151	0.8
317.04550	1.0
321.20581	0.7
329.04449	0.9
333.03601	1.0
335.05420	0.7
337.09363	1.0
345.15417	1.7
347.05588	2.9
347.18451	0.6
348.06390	0.6
361.03485	1.3
365.06638	3.7
365.19644	4.8
381.07755	0.7
395.20398	1.0
461.93646	0.6
465.32544	0.5
467.24753	0.8
483.33426	0.5
497.07220	1.8
509.11023	0.6
509.22131	0.5
526.23712	0.8
527.12042	14.1
527.24634	7.4
528.12708	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	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67097	0.2
57.03309	0.3
59.01255	1.8
61.98700	100.0
63.51979	0.3
64.46846	0.3
71.01256	2.2
71.01600	0.3
71.01777	0.2
71.04890	0.5
71.08104	0.6
72.99162	0.5
73.02826	0.6
83.01263	0.4
83.04897	0.3
85.02812	1.3
87.00746	0.3
89.02336	0.8
93.03338	0.6
95.01230	0.3
95.04893	0.8
96.95871	0.5
97.02830	0.8
99.00768	0.4
101.02318	1.5
103.05428	0.5
107.01291	0.3
108.02085	0.4
109.02856	0.6
111.00766	0.4
111.04398	0.2
113.02319	0.6
119.04936	1.0
120.05217	0.3
121.06472	0.7
123.04382	0.5
125.02353	0.7
131.03333	0.3
133.02887	0.7
134.03653	0.4
135.02905	0.5
135.04416	5.6
136.04749	1.3
136.99036	0.4
137.02344	1.0
139.03923	3.2
139.07581	0.3
149.02380	0.6
151.00346	0.3
151.03915	0.6
153.01860	0.3
153.05440	0.3
159.98741	0.3
161.02361	1.7
161.04488	0.6
161.06180	0.3
162.02716	0.3
163.00479	0.3
163.03929	1.0
165.01764	0.3
165.05515	0.9
165.97234	0.5
166.97948	0.4
169.01366	0.4
173.04521	0.7
175.03947	0.4
177.01891	0.3
178.99831	0.3
179.03371	1.7
181.04970	0.3
181.08641	1.3
189.01886	0.8
191.03726	0.5
191.05533	4.6
192.05931	0.5
205.04991	0.4
263.15112	0.4
273.20560	0.3
277.05167	0.3
290.05807	0.3
291.06833	0.3
293.04526	1.4
299.99158	0.4
300.99890	0.4
304.12729	0.6
306.05145	0.4
307.06049	0.9
308.06592	0.8
315.01584	0.4
318.05249	0.4
333.04218	0.8
333.19388	0.3
334.04529	1.7
334.19382	0.4
345.12103	0.4
351.05365	0.3
352.05838	1.0
353.09027	0.6
395.19373	0.4
437.09296	0.4
438.09222	1.4
466.23184	1.1
484.19046	0.4
526.11200	3.3
526.20856	1.6
527.10352	0.9
527.18304	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	527.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73712	2.0
59.01248	8.2
61.98687	8.2
63.02265	3.3
65.00192	5.4
67.01751	3.9
68.99688	2.0
69.03320	2.7
71.01257	10.3
71.50999	4.2
72.99175	8.6
74.98967	8.0
75.00732	2.9
83.01250	7.4
85.02819	8.6
87.00743	2.9
89.02298	3.7
89.87350	2.0
93.03299	3.6
95.01251	11.9
96.89857	2.2
97.02830	5.5
99.00743	8.2
100.77582	2.0
101.02318	4.1
103.00228	2.9
107.01244	8.6
109.02840	32.1
110.03213	2.1
111.00790	10.7
113.02361	11.5
120.99514	3.0
121.02844	3.8
123.00790	15.9
124.01531	4.1
125.02340	21.7
133.02809	5.2
135.00742	4.4
136.98987	6.9
137.02382	11.3
139.00288	16.7
139.03868	3.3
141.01837	6.2
143.04979	3.0
143.06227	2.1
145.02844	3.1
147.04359	2.9
149.02319	7.4
150.99142	3.7
151.00275	50.4
151.03915	2.3
152.01079	13.3
153.01831	23.8
154.99780	5.1
159.04356	6.4
161.02232	3.2
163.00273	35.9
163.03908	3.9
164.00909	3.7
165.01813	8.1
166.99812	12.4
168.00502	3.3
169.01352	17.7
171.04404	3.7
174.03168	3.0
175.00314	4.8
175.03888	5.7
177.01794	4.7
178.99777	39.7
181.01399	12.7
183.04437	3.7
187.03932	5.9
189.01831	3.9
190.02596	3.3
191.03389	4.6
193.01360	6.9
193.03404	10.0
194.99275	8.4
197.00848	6.8
199.03940	8.4
201.01796	3.9
203.03407	7.5
205.01283	6.2
206.99330	10.4
208.00041	5.0
209.00876	27.7
215.03441	9.4
217.05051	3.2
219.02788	4.1
221.00966	3.0
222.98785	3.2
225.00233	3.8
227.03481	4.4
229.01385	2.6
231.02933	5.4
232.15202	2.3
233.04439	3.3
235.02560	2.7
243.02972	9.8
245.00793	2.9
245.04443	6.8
247.02403	3.5
255.02817	2.7
259.02371	5.2
261.04019	4.9
271.02426	22.0
272.02914	3.1
273.04007	7.5
287.01852	14.4
289.03687	13.0
291.83020	2.6
299.01926	6.0
315.01352	18.5
316.02109	10.1
317.03000	100.0
318.03265	9.4
333.02484	36.4
334.03259	4.0
351.03381	7.7
352.04611	9.9
357.04477	6.7
369.04562	4.2
385.04111	2.5
391.04932	3.2
493.06015	6.5
509.05539	5.2
527.06903	4.1
527.17316	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	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
55.37774	0.3
59.01247	2.6
61.98701	100.0
62.98360	0.2
65.99500	0.3
69.03310	0.3
71.01258	2.2
71.51355	0.4
72.99182	0.6
73.02819	0.9
74.98976	0.4
75.00737	0.6
80.96420	1.0
83.01273	0.6
85.02814	1.3
87.00757	0.6
87.35422	0.2
89.02321	0.8
93.03357	0.3
95.01282	0.4
96.95886	0.7
97.02780	0.3
99.00777	0.5
99.38077	0.2
101.02324	1.4
107.01233	0.4
108.02127	0.3
109.02854	0.8
111.00771	0.9
113.02313	0.6
119.04942	0.5
121.02866	0.8
123.00791	0.4
123.04395	0.5
125.02316	0.9
127.00263	0.5
133.02878	0.4
134.03613	0.4
135.02933	0.4
135.04433	0.8
136.99001	0.4
137.02359	0.6
139.00282	1.7
139.03906	0.6
147.12773	0.3
149.06004	0.4
151.00305	0.7
157.02882	0.3
159.04433	0.3
160.01639	0.4
161.02330	2.3
161.04414	0.4
162.02820	0.4
163.03902	0.4
165.01671	0.3
166.02472	0.3
167.03511	0.4
169.01350	0.5
175.03987	0.8
177.01880	0.5
179.03372	0.4
181.04971	0.5
183.02936	0.4
189.01912	0.4
190.02425	0.3
191.05536	2.1
192.05820	0.4
205.04971	0.4
243.03047	0.8
255.03070	0.8
262.05997	0.4
271.02454	1.3
290.05713	0.4
293.04587	1.3
300.02682	3.2
301.00125	0.5
301.03583	1.6
303.12622	0.3
305.04739	0.3
306.05151	0.3
307.06015	0.8
308.06592	0.8
331.06189	0.3
333.04318	0.4
333.19196	0.7
334.04315	1.5
334.19305	1.3
352.05508	0.4
438.08929	0.3
463.08392	3.1
464.09418	0.8
465.22623	0.3
466.23218	1.3
482.18146	0.7
526.10785	0.9
526.19104	1.1
527.21368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2702
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
55.01746	0.7
57.03324	1.8
59.01248	6.7
61.98691	3.2
62.79728	0.6
68.24394	0.6
69.03322	8.6
71.01248	4.4
71.04881	2.7
73.02821	0.9
78.95748	0.8
80.02548	1.5
81.03323	1.6
83.01251	2.2
83.04884	7.1
84.02028	1.2
89.02345	0.8
93.03307	0.9
95.04919	2.3
97.02816	1.1
97.06468	2.6
98.20647	1.3
101.02330	1.8
109.02840	0.7
109.06437	1.2
123.08031	3.4
125.09591	5.8
131.03398	0.8
135.08034	1.1
137.02303	0.8
137.09630	0.9
137.41310	0.6
143.03429	0.7
149.09599	0.9
151.11195	5.8
153.12714	2.0
161.09628	10.8
163.11217	6.0
165.12769	3.6
171.10187	1.2
179.10689	31.3
180.11026	1.4
181.12219	1.1
185.11710	1.8
189.01791	0.7
191.05502	1.3
191.10744	1.7
193.44611	0.7
197.11748	100.0
198.12057	5.2
209.11758	77.7
210.12051	4.1
221.11694	1.4
223.09666	5.4
225.11259	0.8
227.12842	10.8
241.10760	14.6
297.13422	8.6
297.16537	1.2
307.06418	0.7
315.14459	23.5
316.14893	1.6
333.22913	1.3
389.23132	1.7
418.30527	0.8
428.21164	0.9
450.16522	1.0
463.26993	2.1
465.27573	0.8
507.25992	2.1
525.10010	1.9
525.26984	96.7
526.27264	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	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21414	0.9
59.01244	7.1
61.98701	60.3
65.00169	1.6
69.33605	4.1
69.34032	3.9
71.01252	6.8
72.99177	2.8
73.02821	2.9
80.96413	1.3
83.01260	2.0
85.02824	5.4
87.00750	1.7
89.02328	2.5
93.03332	5.4
95.01268	1.4
96.95878	2.2
97.02794	1.0
99.00777	1.8
101.02339	3.9
107.01272	2.6
108.02163	1.0
109.02825	2.7
111.00769	1.6
113.02323	1.8
119.03398	1.4
119.04903	4.8
120.99458	1.0
121.02830	2.2
123.00778	1.4
125.02338	2.8
131.03401	2.5
135.02831	1.2
135.04411	3.6
137.02335	3.2
139.00264	2.7
148.01503	1.0
149.02419	1.4
151.00269	11.5
151.03827	1.3
152.01013	1.2
153.01886	2.3
159.04451	1.2
161.02377	6.5
161.04468	2.2
163.00288	2.7
163.03879	5.2
169.01375	2.1
173.02219	0.9
173.04478	1.7
178.99741	6.4
179.03343	1.5
179.77211	0.9
181.04967	12.6
188.01056	1.0
189.01974	1.2
190.02612	1.0
191.05554	15.7
192.05878	3.5
201.02007	1.3
203.03496	1.0
214.02643	1.1
226.02731	1.2
227.03569	2.2
243.02988	7.9
247.02298	1.2
254.02174	1.2
255.02962	18.1
256.03421	1.3
259.02347	2.2
262.06299	1.2
271.02463	45.6
272.02795	4.8
273.03958	1.3
287.02017	2.0
289.05011	1.0
290.05679	1.5
291.06543	2.4
293.04575	4.4
294.05026	1.3
299.01874	1.2
300.02734	87.8
301.03421	35.0
302.03812	2.4
306.05069	1.8
307.06015	3.8
308.06540	5.9
316.02191	13.4
317.03085	3.1
319.00952	1.0
331.17749	1.1
332.17834	1.6
333.04071	4.7
333.19061	4.6
334.04559	12.6
334.19470	2.2
335.05313	2.6
343.10233	3.5
351.05093	1.5
352.05731	8.6
353.06448	1.3
380.90100	1.1
463.08810	100.0
464.09113	12.1
465.22949	2.5
466.23627	1.4
471.98218	1.0
494.15671	1.0
508.10159	2.2
526.10950	22.7
527.11511	4.1
527.21234	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	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.4
57.03330	3.8
59.01247	60.1
61.98679	2.5
71.01251	50.9
71.50463	3.1
72.99149	1.6
73.02819	14.8
75.00741	3.4
83.01242	5.9
85.02821	23.4
85.99992	1.8
89.02319	14.6
90.17288	1.7
93.03307	3.0
95.01264	4.4
99.00751	6.7
101.02316	34.8
111.00698	2.1
113.02337	25.4
119.03374	3.4
125.02338	6.0
131.03391	31.0
137.02303	1.7
143.03362	2.0
145.02823	2.4
158.66505	1.4
159.02849	5.4
159.04065	1.5
161.02419	9.0
161.04468	30.1
165.05452	3.2
167.03491	1.8
169.01332	2.8
189.01761	1.6
191.05453	8.1
220.49722	1.5
229.46521	1.6
250.11607	1.8
261.05582	3.0
271.61444	1.8
277.05008	2.0
289.05209	1.9
293.04468	4.4
298.98410	1.8
300.99701	1.8
305.04376	2.3
307.06104	6.6
333.03970	8.8
333.19162	100.0
334.19461	11.5
351.04971	2.0
362.06366	5.6
465.17224	2.5
465.23422	46.4
466.23633	4.8
525.11481	6.0
526.12402	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	525.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01439	2.7
55.01744	4.5
57.03323	3.9
57.10480	1.7
58.00454	3.1
59.01252	91.2
61.98700	4.2
65.85375	2.0
71.01257	72.2
71.50478	2.5
72.99191	3.4
73.02818	18.6
75.00739	6.0
83.01249	8.0
83.80656	1.9
85.02831	35.8
85.03309	3.7
87.00745	5.4
89.02323	17.4
93.03350	4.8
93.11976	2.1
95.01258	6.7
97.02775	3.1
99.00761	9.8
99.17197	2.2
101.01708	3.3
101.02328	48.2
109.02805	2.4
111.00769	3.3
113.02334	30.2
119.03382	5.3
121.02840	2.4
125.02394	9.5
131.03395	34.5
139.00191	2.1
143.03374	3.4
145.02818	3.7
150.03032	2.5
151.03929	3.0
159.02864	6.8
161.02390	16.2
161.04475	32.6
163.03972	3.3
169.01311	4.7
175.03894	3.5
179.05525	2.1
180.06572	4.4
189.01939	4.4
190.02605	2.0
191.05540	14.0
195.06587	4.2
201.11179	2.1
215.03394	2.7
219.02975	2.6
261.05524	3.1
272.03027	2.2
275.01883	2.9
277.05075	2.3
289.05063	3.5
293.04541	5.6
300.99792	7.5
307.06082	10.0
320.28006	2.2
333.03894	10.2
333.19177	100.0
334.19687	9.2
351.04874	4.4
362.06268	3.9
377.18164	2.6
399.23624	2.1
423.45081	2.0
465.23383	41.8
466.23868	4.7
525.11908	4.5
526.10956	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	525.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89792	0.5
55.01747	1.7
57.03326	2.8
59.01248	62.6
60.01573	0.8
69.44250	4.2
71.01250	40.8
72.01585	0.6
72.99173	1.4
73.02818	11.4
74.98969	1.0
75.00736	2.7
81.03326	0.7
83.01257	5.2
85.02821	20.6
86.03175	0.5
87.00741	2.9
89.02318	10.2
93.03348	0.8
95.01266	4.2
97.02818	1.5
98.20572	0.5
99.00750	5.0
101.02318	31.7
102.02646	0.5
107.01295	0.6
107.37836	0.5
108.02044	0.7
111.00760	1.3
113.02328	18.3
114.02695	0.7
119.03358	3.2
125.02325	5.8
129.01828	0.8
131.03394	36.3
132.03688	0.6
132.23601	0.5
134.03612	0.8
135.02904	0.6
135.04384	1.0
136.99065	0.6
137.02335	0.6
139.00240	1.1
143.03386	2.1
145.02814	1.1
149.02385	0.8
149.05954	1.3
151.03902	0.7
153.01857	0.6
156.60826	0.5
159.02913	3.9
161.02414	6.5
161.04456	27.6
162.04839	0.7
163.04027	0.7
164.04675	1.0
165.05478	1.5
167.07062	3.5
169.01358	3.3
173.04462	0.9
175.00282	0.9
179.05566	1.2
179.07050	1.9
181.04951	1.0
186.79979	0.6
188.01013	0.7
189.01851	1.8
190.02667	1.4
191.05531	5.4
205.03380	0.9
205.05019	2.2
206.67973	0.5
223.06001	1.0
229.01346	1.6
245.00978	0.5
259.06839	0.6
261.05484	1.0
277.04831	0.8
281.12186	0.6
283.10162	0.7
287.10217	0.6
289.05066	2.0
293.04456	3.5
301.00061	0.9
301.03342	0.7
305.04694	0.7
307.06064	5.3
308.06699	0.6
315.12241	0.9
323.34903	0.5
333.04016	4.7
333.19162	100.0
334.19507	8.8
351.04880	2.5
352.05475	0.6
377.18167	4.7
379.06674	0.8
465.23386	42.8
466.23743	4.0
489.16107	4.2
490.16525	0.6
525.10614	0.8
525.16553	5.0
526.17310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94524	1.0
58.00467	3.5
58.42945	1.2
59.01250	100.0
61.98704	5.1
71.01250	57.0
71.51573	1.7
72.28611	1.1
72.99191	3.7
73.02818	6.0
74.75346	1.1
75.00752	2.3
76.49586	1.1
80.98605	1.0
83.01279	3.8
85.02820	9.9
87.00767	3.6
89.02318	90.0
90.02669	2.1
93.03349	1.4
99.00751	4.3
101.02322	43.3
104.27886	1.1
110.25681	1.1
113.02325	12.1
119.03423	5.5
122.05987	4.7
123.06343	1.2
125.02349	3.3
129.01836	2.6
131.03389	55.8
132.02037	1.8
133.02890	1.4
134.03641	2.3
134.05992	1.7
135.04411	3.0
137.02235	1.9
145.02832	1.4
149.04460	68.2
150.04808	1.4
152.07085	6.0
153.07379	3.2
160.01581	11.7
161.02362	11.4
161.04446	1.9
167.07008	1.1
174.03062	2.2
175.03925	10.5
181.08543	1.8
183.04376	2.6
187.03928	1.4
189.01825	6.8
190.02539	2.1
191.05544	31.9
193.05009	3.1
197.04436	6.0
199.03894	1.3
221.06734	1.2
227.03474	8.3
240.04147	2.2
240.12318	1.2
241.04443	1.2
251.07706	1.6
261.05521	2.6
262.06378	5.9
277.04968	2.5
283.10864	2.4
284.11276	3.5
289.05045	4.0
290.05887	7.8
298.08438	2.4
301.05103	3.5
305.04538	3.2
306.05252	1.5
307.06165	2.7
311.09784	3.1
313.10901	6.2
316.03668	8.2
317.04370	6.4
318.05231	2.0
319.06049	4.6
333.04111	5.8
334.04733	13.4
335.05380	3.3
343.11533	1.8
344.03204	22.5
345.03854	14.8
346.04623	2.5
347.05643	1.4
351.05011	1.8
357.03979	1.6
359.05740	1.5
362.04282	39.3
363.04886	23.3
363.23724	1.5
364.05505	2.0
375.05096	3.8
476.14612	1.6
493.17984	3.1
497.10834	3.0
507.09311	2.5
508.16760	2.8
512.17517	1.3
525.10370	22.8
525.20990	25.0
526.10614	5.4
526.21130	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79109	0.4
55.01761	0.8
57.03317	1.2
58.50951	0.5
59.01248	11.9
61.98698	4.9
67.01743	1.5
69.03324	0.7
69.99323	2.2
71.01250	9.5
72.33631	0.4
72.99183	2.3
73.02801	0.9
76.89579	0.4
79.01766	1.0
83.01241	1.9
83.04868	0.6
85.02821	5.4
87.00740	1.8
87.04375	4.1
89.02310	7.8
89.68140	0.4
93.03342	2.4
95.01287	2.2
97.02828	0.8
99.00758	0.8
101.02312	6.5
107.01236	2.7
107.91671	0.4
109.02818	1.2
111.00756	2.5
113.02333	4.0
119.03395	2.3
119.04898	1.6
120.99539	19.4
123.00767	14.0
123.01662	0.5
123.04394	0.6
124.01562	1.0
125.02330	15.5
126.02587	0.6
127.00267	0.8
127.03870	0.7
131.03415	0.5
134.03596	0.7
135.04405	16.8
136.04752	0.7
136.98654	0.9
137.02325	1.0
139.00259	4.8
139.11150	1.1
140.01019	3.8
141.01781	1.6
143.03398	0.8
143.04869	0.7
145.22395	0.4
149.02328	1.2
151.00262	9.5
151.03888	0.8
152.00728	0.6
153.01808	1.5
153.05441	0.5
160.01521	1.1
161.02335	1.4
161.04460	1.0
161.05931	0.5
163.03929	2.5
165.01863	0.7
165.05463	0.5
166.06261	0.5
166.99742	0.7
168.00528	4.1
169.01334	20.8
170.01685	0.9
173.04477	0.7
173.05928	0.5
174.03113	2.9
175.03903	5.0
176.04277	0.5
177.01811	0.6
177.03958	0.7
177.05385	0.5
179.03430	3.0
179.05519	1.4
180.03932	0.6
181.04962	3.8
181.08502	0.5
185.11731	0.9
191.05531	10.6
191.07152	0.8
192.05925	0.5
193.04991	1.2
197.04417	1.4
199.03894	0.5
199.39445	0.4
201.11232	5.7
203.03485	0.5
211.02452	2.2
217.05011	0.8
225.07657	1.3
229.05028	0.7
233.06024	1.1
235.07556	0.9
241.05380	0.6
249.05527	0.5
261.05585	1.6
271.02103	0.7
271.04633	2.6
277.05051	1.0
279.06604	1.5
289.04993	0.9
293.04230	0.5
299.01944	0.6
300.99963	0.6
305.04642	1.3
306.05063	0.5
307.06113	4.0
310.04645	0.8
310.48569	0.5
313.05615	2.7
316.02252	1.5
317.03119	1.1
333.04034	10.1
333.18277	0.8
334.04437	1.6
341.08780	0.7
341.12418	2.1
343.10538	0.9
351.05130	3.4
352.05130	0.6
417.36102	0.5
463.08920	2.0
465.22968	0.8
489.10300	6.4
490.10611	1.0
525.10468	6.9
525.23431	100.0
526.10706	1.4
526.23804	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	525.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15813	0.8
54.05137	0.9
57.03313	1.4
58.00452	1.4
59.01249	46.8
61.98709	7.6
67.01762	1.8
68.59799	0.9
69.03331	2.1
71.01250	31.6
72.99174	2.0
73.02827	5.3
75.00745	11.3
76.01117	0.9
81.03313	1.1
82.51830	0.9
83.01237	2.2
85.02821	17.5
87.00748	7.2
88.00258	0.9
89.01756	2.0
89.02315	41.7
93.03341	13.5
95.04890	1.8
96.95914	1.6
97.02840	1.0
99.00750	2.5
99.04387	2.6
101.02321	23.0
103.02798	1.0
109.02829	2.8
111.04392	4.4
113.02337	7.9
117.03352	2.6
119.03392	2.9
119.04912	1.9
121.02854	2.4
122.06006	1.8
123.04401	1.8
123.06380	1.1
124.01530	1.2
125.02341	2.7
127.03860	1.7
129.01764	0.9
131.03387	24.0
131.11995	0.8
133.02879	1.4
134.03610	1.5
135.04401	2.9
137.02316	3.7
137.05920	1.2
137.09637	1.0
139.03868	2.2
143.03351	1.9
145.02789	4.9
149.02364	1.5
149.04457	26.5
150.04839	0.9
152.00995	0.8
152.07092	4.9
153.01797	1.5
153.07356	1.4
154.01308	0.9
155.03398	2.5
159.04387	2.6
160.01598	2.0
161.02347	80.1
161.04471	2.6
162.02722	5.7
163.03882	4.8
165.01820	1.0
168.00471	1.0
169.01337	1.4
173.04469	28.5
175.03867	3.7
177.01894	1.0
179.03374	1.1
181.01460	1.2
181.08618	5.4
183.10127	1.4
187.03845	1.0
189.01830	3.9
190.02554	3.3
190.04988	1.2
191.05534	64.4
192.05875	2.9
193.04942	1.2
197.04362	1.4
203.12843	1.1
205.04961	3.3
221.06396	0.9
233.05980	4.0
234.06296	1.0
237.05588	2.5
240.04198	1.4
248.04785	1.1
251.07437	2.1
256.68143	0.9
260.04962	1.0
261.05582	10.5
262.06238	3.4
263.03455	2.2
263.07245	1.3
264.04221	1.9
276.04132	1.3
277.05042	7.1
278.05719	3.8
279.06506	5.4
283.10794	1.4
284.11215	1.9
288.04080	1.1
289.05038	28.7
290.05783	8.3
291.02844	1.4
292.03793	24.3
292.07047	1.0
293.04550	7.8
298.08414	1.9
305.04517	14.8
306.05362	11.4
307.06107	100.0
308.06470	11.1
311.09802	1.1
313.10950	1.4
316.03598	4.0
317.04187	1.6
318.05304	1.2
331.17587	1.1
332.03268	1.6
333.04028	54.9
333.18756	1.7
334.04425	7.4
343.13998	1.1
344.03226	3.7
345.03940	3.8
351.05087	60.3
352.05417	8.1
362.04211	5.3
363.05048	2.6
363.18112	1.3
375.04941	1.8
375.26736	1.2
376.27792	3.0
493.18365	1.0
507.09314	5.7
507.19324	1.1
524.20477	1.6
525.10260	30.6
525.20624	13.0
525.31219	2.0
526.10291	5.3
526.20941	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	525.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84814	1.0
59.01247	20.2
59.05693	1.1
61.98704	14.3
67.13110	1.0
67.16992	1.2
69.28343	3.2
69.28765	7.5
71.01251	6.2
72.99180	1.9
83.01258	1.3
83.04858	1.3
83.78823	1.1
85.02820	4.3
85.57780	1.0
87.00755	3.8
88.98691	1.3
89.02296	3.7
93.03309	2.3
95.01283	2.1
95.04898	3.5
98.23592	1.2
101.02311	5.7
107.03684	1.2
107.04916	2.6
108.04444	1.3
109.02811	8.1
109.06447	4.5
113.02325	2.7
119.03383	2.3
119.04905	5.9
121.02837	8.4
121.10139	1.5
122.05997	6.1
123.04362	1.6
123.06363	2.4
125.02309	2.1
126.46078	1.1
132.02045	3.2
133.02867	1.8
134.03609	5.1
134.05963	1.2
135.04440	9.5
135.68210	1.1
137.02351	2.7
137.05975	31.5
138.06490	1.1
149.02339	1.3
152.07057	8.1
153.05522	1.5
153.07365	2.5
160.01552	20.9
161.02380	8.4
161.04417	2.2
162.02600	1.4
163.03946	2.6
165.01837	1.4
166.06265	4.0
167.06927	1.3
175.03917	18.5
176.04330	1.3
177.01874	1.4
179.03391	2.2
179.07089	3.5
181.04976	100.0
181.08571	5.1
182.05345	3.2
183.10155	6.4
189.01906	2.1
190.02568	3.4
190.05031	1.5
191.05478	6.4
193.05016	4.7
205.05037	3.7
214.02518	1.5
223.05939	2.2
239.11909	1.5
240.04233	2.7
261.05588	2.5
262.06348	8.3
277.04968	1.7
283.10855	4.1
284.11185	4.4
289.05112	2.2
290.05820	11.9
291.06332	1.8
295.10992	1.9
296.11490	1.3
298.08408	2.4
305.04584	3.6
306.05029	2.3
307.05893	2.6
313.10870	5.4
316.03659	11.8
317.04282	3.1
318.05334	3.0
326.11792	1.4
333.03918	4.8
334.04724	9.9
335.04913	1.3
343.10318	39.3
343.99011	2.7
344.03204	43.4
344.07254	2.4
344.10385	2.3
345.03879	13.0
351.04880	1.7
357.04004	2.6
362.04285	64.3
363.04834	11.0
375.04901	6.4
387.04932	1.8
449.19009	2.0
451.96793	1.3
477.18893	2.2
492.17224	1.4
493.17917	3.2
507.09109	3.7
524.20532	3.7
525.10358	35.2
525.21094	37.3
526.10687	7.2
526.20801	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	525.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29546	0.5
57.03303	0.8
59.01245	3.2
61.98695	2.0
65.07322	0.6
69.58096	0.6
69.61769	3.9
71.01252	3.4
73.02830	1.3
81.03327	0.8
83.01251	0.6
83.04917	1.2
85.02818	14.9
85.03299	1.2
87.00755	3.6
93.03328	6.6
96.95872	1.3
99.04379	0.8
101.02320	0.9
108.02055	1.0
109.02834	2.1
111.00826	0.7
111.04388	3.4
113.02273	1.0
117.03361	2.0
119.04922	1.3
120.99527	1.7
123.00772	1.0
123.04430	2.1
125.02351	1.5
127.03912	3.3
129.01854	0.6
133.02824	1.7
134.03589	1.4
135.04419	22.0
136.04741	1.1
137.02328	1.2
143.03365	1.0
145.02892	4.3
151.00294	0.8
153.05521	1.5
153.83968	0.7
155.03403	1.6
159.04399	2.3
160.01543	0.9
161.02345	100.0
162.02702	5.7
163.03926	3.8
169.01427	1.1
170.01619	0.6
173.04436	5.4
175.03908	1.0
179.03404	23.6
180.03868	1.1
185.02547	0.7
189.01871	3.3
191.05531	83.1
192.05910	2.9
193.04947	1.0
197.04440	0.9
233.06007	2.8
235.07596	1.8
237.05617	0.9
248.04787	1.2
249.05482	1.5
251.07077	0.8
260.04837	0.8
261.05597	8.6
262.06036	1.8
263.03543	0.8
263.07086	1.2
264.04221	0.7
276.04202	1.0
277.05048	5.4
278.05673	3.0
279.06625	4.0
288.04230	1.5
289.05045	12.8
290.05630	5.0
292.03766	13.7
293.04428	3.6
300.99991	0.8
305.04544	11.5
306.02115	1.1
306.05298	10.9
307.06094	82.3
308.06485	8.5
316.03690	2.7
323.02078	1.5
324.02728	2.9
325.03448	2.2
333.04016	42.5
334.04312	5.6
341.08670	2.7
351.05072	34.0
351.09540	1.2
352.05444	3.9
486.07898	0.7
487.08881	1.7
524.22345	2.8
525.03094	1.3
525.10321	16.0
525.20441	5.9
526.10406	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	524.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01247	4.7
61.98697	4.9
67.41545	0.4
71.01260	3.1
71.50948	0.8
72.99173	0.6
73.02808	0.9
75.00719	0.4
75.12253	0.4
75.28474	0.4
76.96056	0.4
77.39265	0.4
80.04924	0.8
83.04888	0.5
85.02820	1.3
87.00742	1.4
89.02317	1.7
93.03329	0.8
94.06501	3.0
95.04893	0.9
96.95900	0.6
97.02834	0.5
98.41370	0.4
101.02312	1.4
103.60780	0.5
106.06494	1.0
107.03632	4.9
107.04857	0.6
107.90841	0.4
108.04462	1.1
109.02809	1.4
109.06457	0.6
113.02299	1.4
119.03345	0.5
119.04929	1.2
120.04436	0.4
121.02835	1.0
122.06004	28.1
124.07598	2.0
125.02316	1.2
125.78796	0.5
132.02057	2.1
132.04439	4.6
133.02815	2.0
134.03552	1.8
134.06027	6.1
135.04407	2.8
136.04832	0.6
137.02328	1.3
137.06001	2.4
137.52632	0.4
139.02644	1.7
144.04436	0.8
145.02885	0.6
147.03137	0.4
149.04491	0.5
149.05902	0.5
149.09534	0.5
150.05539	1.2
151.00310	0.5
151.04001	0.5
152.07076	47.0
153.01746	0.5
153.05606	0.4
153.07422	1.9
158.02365	1.2
160.01582	6.9
160.03923	2.1
161.02368	7.6
161.04442	0.7
162.02695	3.1
162.05490	0.9
165.01878	0.5
165.05472	0.4
166.04980	0.8
166.06256	1.1
169.01315	0.6
172.03944	0.6
173.04514	0.7
175.03917	9.1
176.03413	1.9
176.07027	0.8
177.01881	0.8
178.02199	0.6
179.03421	2.0
180.03731	1.1
181.04987	9.0
181.08565	1.3
183.10300	0.8
188.03378	0.5
190.02611	0.6
190.03317	0.4
190.05074	4.9
191.03711	0.5
191.05545	2.5
193.05049	2.0
205.04945	0.7
209.07228	0.5
211.12390	1.2
212.10786	1.1
213.10213	0.6
215.11841	2.0
223.08592	2.0
224.09444	2.1
226.07503	0.7
227.08171	1.0
237.10176	0.7
238.11035	0.7
239.04527	0.9
239.08214	0.9
239.11855	10.2
240.04211	0.5
240.10371	0.7
241.09764	2.6
251.08133	0.8
251.11832	1.5
252.08842	0.8
253.06206	2.9
253.09718	1.2
254.03506	0.5
254.06815	0.8
255.07684	1.2
255.11336	1.8
256.05484	0.4
262.06195	0.5
265.09808	1.2
266.06937	0.9
267.07828	3.1
267.11401	1.9
268.08521	2.9
271.10721	0.5
279.07684	0.9
280.08533	2.8
281.09247	1.0
282.10010	0.5
283.10886	30.8
284.11218	3.2
287.10339	0.7
290.05920	0.9
293.09311	0.9
295.10858	9.3
296.11307	0.8
297.12494	1.0
298.08453	0.8
307.06354	0.7
307.10834	0.7
309.08789	1.0
309.12299	1.0
312.11118	1.3
313.11121	1.8
315.13446	1.9
316.03830	0.7
323.10489	0.6
327.09930	0.6
327.13452	1.3
333.04016	1.3
333.18579	0.5
334.05032	0.5
339.09747	0.7
341.11411	2.1
343.10156	2.7
344.03229	3.1
345.03854	0.7
351.05154	0.7
355.12863	0.7
362.04355	3.8
375.27512	1.3
376.27911	1.1
402.18143	0.5
420.19482	2.3
430.17789	0.8
446.17719	0.5
448.12961	0.7
448.18774	9.9
449.19125	1.3
464.18210	1.4
474.16885	1.3
477.19571	0.9
480.16904	0.8
480.22275	0.9
492.17743	19.1
493.17957	3.1
496.20941	1.8
506.19315	1.8
524.20380	100.0
525.10126	2.1
525.21112	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	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	0.7
57.27379	0.6
59.01255	5.4
61.98700	5.2
69.03350	0.6
69.40867	1.2
69.41282	3.6
71.01246	3.4
73.02801	1.3
75.00729	0.7
83.01241	0.9
83.47192	0.7
85.02803	1.7
87.00734	0.9
89.02304	2.1
93.03314	0.7
94.06499	3.1
95.01246	0.7
95.04900	0.9
96.95886	1.3
96.99168	0.5
98.20596	1.2
101.02310	1.9
106.06515	1.4
107.03642	5.1
109.02776	1.5
113.02310	1.4
119.04882	0.7
120.04433	0.8
121.02815	0.6
122.06004	30.4
124.07557	2.2
125.02320	1.6
132.02072	1.1
132.04442	4.8
133.02831	1.3
134.03571	2.0
134.06013	5.8
135.04422	5.5
136.04758	2.2
137.02328	0.9
139.02638	1.1
149.05927	0.7
150.05531	1.2
151.03882	0.8
151.07527	0.7
152.07079	55.2
153.07356	1.6
158.02417	1.9
160.01575	7.5
160.03914	2.1
161.02333	5.8
162.02664	2.2
163.03835	0.6
166.06268	1.2
169.01321	1.0
172.03905	1.0
173.04500	1.1
174.05496	1.3
175.02516	1.3
175.03931	10.5
176.03276	1.6
176.04549	0.7
177.01813	1.6
178.02100	0.9
179.03416	1.4
180.03926	1.1
181.04982	3.0
181.08560	2.8
182.77669	0.6
190.02504	0.9
190.05046	5.5
191.05594	3.0
193.01300	0.6
193.04958	2.8
205.04915	1.0
211.12329	0.7
212.10713	0.9
215.11871	2.4
223.08690	2.0
224.09398	2.9
227.08199	1.8
237.10286	1.0
239.08167	1.8
239.11823	10.6
240.10208	1.2
240.12274	0.7
241.09827	2.2
251.08101	0.7
251.11829	2.3
252.10168	0.6
253.06258	3.5
253.09776	1.3
254.06810	0.7
255.07695	1.1
255.11305	2.5
265.09784	1.8
267.07623	2.9
267.11316	1.7
268.08719	2.9
268.11133	0.6
271.11185	0.7
279.07541	0.9
280.08405	3.1
281.09259	1.4
283.10870	30.1
284.11206	2.3
287.10431	1.3
290.06091	0.6
295.07635	0.5
295.10840	10.5
296.11157	1.3
298.08524	0.9
301.00110	1.0
307.10770	0.9
309.08768	1.5
309.12283	1.0
312.10944	0.8
313.11197	1.6
315.13461	2.3
323.10269	1.2
327.13513	1.5
333.04022	2.3
334.04956	0.9
341.11389	2.4
344.03281	2.8
345.04181	0.7
355.06183	0.6
355.13110	0.9
362.04349	2.8
375.27597	3.7
376.27917	3.0
420.19708	3.5
430.17831	1.1
448.18805	12.0
448.24323	0.4
449.19241	1.5
462.16541	0.8
464.18073	1.7
474.16772	0.8
481.21628	0.8
492.17746	23.2
492.24927	1.1
493.18109	3.3
496.20923	2.6
506.19214	2.5
524.20349	100.0
525.10382	2.4
525.21320	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	524.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65368	1.0
59.65580	0.8
61.98700	33.6
64.32727	0.8
69.34921	7.1
69.35317	1.8
92.92052	0.8
107.50369	0.8
109.02837	2.4
109.28728	0.8
121.02838	4.0
127.36131	0.9
153.06146	0.9
165.01828	8.4
193.01259	1.0
201.98531	0.9
226.02577	1.0
227.03387	1.9
243.02919	4.0
254.02187	2.4
255.03017	1.6
263.30865	0.9
264.43954	0.9
266.93967	0.8
271.02460	35.0
272.02914	4.1
285.04025	1.2
287.05661	1.0
299.01947	43.2
300.02490	10.2
314.04300	38.7
315.05054	36.4
316.05423	2.5
461.10883	100.0
462.11237	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	524.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	0.2
58.85396	0.2
59.01248	1.4
61.98701	100.0
69.43004	1.2
71.01257	0.8
89.02334	0.7
93.03325	0.2
101.02335	0.3
125.02344	0.4
131.03394	0.4
149.04495	0.4
167.10683	1.4
168.11034	0.9
169.11339	0.5
171.74695	0.2
174.03290	0.2
175.03946	0.3
177.38290	0.2
185.33595	0.2
189.01933	0.2
191.05681	0.2
205.05153	0.2
327.48053	0.2
362.97571	0.2
392.00125	0.2
445.11176	0.4
523.32874	0.2
524.33661	0.3
525.10968	0.2
525.23639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35399	0.2
57.94308	0.2
58.23811	0.2
61.98701	100.0
89.02305	0.3
96.25512	0.2
121.02850	0.6
131.43204	0.3
165.01852	1.1
243.03070	0.4
254.02440	0.3
255.03137	0.3
271.02469	4.2
272.02905	0.3
299.01971	5.9
300.02585	1.3
314.04300	5.9
315.05035	5.6
315.08463	0.4
316.05591	0.4
329.04950	0.3
461.10916	10.0
462.11093	1.5
501.03494	0.3
547.14166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	0.7
57.27379	0.6
59.01255	5.4
61.98700	5.2
69.03350	0.6
69.40867	1.2
69.41282	3.6
71.01246	3.4
73.02801	1.3
75.00729	0.7
83.01241	0.9
83.47192	0.7
85.02803	1.7
87.00734	0.9
89.02304	2.1
93.03314	0.7
94.06499	3.1
95.01246	0.7
95.04900	0.9
96.95886	1.3
96.99168	0.5
98.20596	1.2
101.02310	1.9
106.06515	1.4
107.03642	5.1
109.02776	1.5
113.02310	1.4
119.04882	0.7
120.04433	0.8
121.02815	0.6
122.06004	30.4
124.07557	2.2
125.02320	1.6
132.02072	1.1
132.04442	4.8
133.02831	1.3
134.03571	2.0
134.06013	5.8
135.04422	5.5
136.04758	2.2
137.02328	0.9
139.02638	1.1
149.05927	0.7
150.05531	1.2
151.03882	0.8
151.07527	0.7
152.07079	55.2
153.07356	1.6
158.02417	1.9
160.01575	7.5
160.03914	2.1
161.02333	5.8
162.02664	2.2
163.03835	0.6
166.06268	1.2
169.01321	1.0
172.03905	1.0
173.04500	1.1
174.05496	1.3
175.02516	1.3
175.03931	10.5
176.03276	1.6
176.04549	0.7
177.01813	1.6
178.02100	0.9
179.03416	1.4
180.03926	1.1
181.04982	3.0
181.08560	2.8
182.77669	0.6
190.02504	0.9
190.05046	5.5
191.05594	3.0
193.01300	0.6
193.04958	2.8
205.04915	1.0
211.12329	0.7
212.10713	0.9
215.11871	2.4
223.08690	2.0
224.09398	2.9
227.08199	1.8
237.10286	1.0
239.08167	1.8
239.11823	10.6
240.10208	1.2
240.12274	0.7
241.09827	2.2
251.08101	0.7
251.11829	2.3
252.10168	0.6
253.06258	3.5
253.09776	1.3
254.06810	0.7
255.07695	1.1
255.11305	2.5
265.09784	1.8
267.07623	2.9
267.11316	1.7
268.08719	2.9
268.11133	0.6
271.11185	0.7
279.07541	0.9
280.08405	3.1
281.09259	1.4
283.10870	30.1
284.11206	2.3
287.10431	1.3
290.06091	0.6
295.07635	0.5
295.10840	10.5
296.11157	1.3
298.08524	0.9
301.00110	1.0
307.10770	0.9
309.08768	1.5
309.12283	1.0
312.10944	0.8
313.11197	1.6
315.13461	2.3
323.10269	1.2
327.13513	1.5
333.04022	2.3
334.04956	0.9
341.11389	2.4
344.03281	2.8
345.04181	0.7
355.06183	0.6
355.13110	0.9
362.04349	2.8
375.27597	3.7
376.27917	3.0
420.19708	3.5
430.17831	1.1
448.18805	12.0
448.24323	0.4
449.19241	1.5
462.16541	0.8
464.18073	1.7
474.16772	0.8
481.21628	0.8
492.17746	23.2
492.24927	1.1
493.18109	3.3
496.20923	2.6
506.19214	2.5
524.20349	100.0
525.10382	2.4
525.21320	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	523.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03331	2.2
59.01250	39.1
61.98698	4.6
69.62524	5.9
71.01254	22.1
72.99187	4.4
73.02806	4.8
75.00745	100.0
76.01073	1.0
83.01266	2.3
85.02824	9.1
87.00745	1.5
89.02311	13.4
90.84494	0.8
90.86853	1.0
95.01253	1.9
98.20604	1.8
99.00761	2.3
101.02317	16.8
102.02711	1.1
103.38716	0.8
107.03609	1.8
110.87424	1.0
113.02321	11.2
119.03394	3.8
122.05994	10.4
125.02322	1.9
129.01830	0.9
131.03400	9.7
131.24600	1.1
132.02037	1.4
132.04454	1.7
133.02837	3.9
134.03610	2.0
134.06042	1.6
135.04427	11.3
146.06006	1.0
149.04486	2.5
149.06007	4.0
150.06412	1.2
152.07077	16.9
159.04364	1.4
160.01550	4.6
160.03777	1.1
161.02367	14.4
161.04407	8.3
165.01822	1.0
166.37740	1.0
175.03931	8.3
179.03418	11.3
179.05479	1.6
183.10255	1.0
190.04997	3.2
191.05516	1.8
193.05016	2.5
195.06551	14.6
202.02660	1.4
223.08812	1.3
239.11803	5.0
251.11844	1.4
268.08514	1.6
283.10837	9.5
295.10901	3.0
331.17599	30.1
332.18045	1.9
341.11603	1.2
342.05368	3.4
343.06079	2.7
344.06174	1.0
359.05585	2.0
360.06284	8.3
375.27383	11.8
448.18869	5.4
463.21951	9.8
492.17758	6.4
523.21619	12.2
523.30945	3.9
524.20337	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	25.5
61.98709	100.0
69.43637	63.9
71.01223	8.1
79.72111	7.8
85.02883	9.3
109.02754	13.1
124.01521	13.7
139.03889	48.9
140.39542	8.5
192.28032	8.1
202.20158	8.9
329.04471	9.9
342.05405	15.7
413.06540	22.9
523.10370	43.9
523.32410	14.6
524.10840	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	523.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	19.4
61.98689	11.1
63.15799	9.5
95.39095	10.1
98.20634	29.8
110.05885	11.7
165.01842	10.8
171.10226	10.9
229.56099	11.8
523.23328	100.0
523.31970	87.0
524.23657	27.5
524.32092	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
55.45544	0.7
57.03315	2.1
59.01248	31.0
61.98708	5.4
65.75579	0.8
69.29961	6.1
69.30373	2.0
71.01251	17.8
72.99177	4.0
73.02825	6.1
75.00744	100.0
83.01261	2.1
85.02827	7.7
87.00739	1.7
89.02301	9.6
93.03324	1.1
95.01257	2.2
95.04896	1.0
97.02815	0.9
99.00749	2.2
101.02322	13.0
107.03642	0.9
111.00787	1.3
113.02313	7.7
119.03391	2.5
120.50859	0.8
122.05984	4.5
123.04455	1.1
125.02339	2.3
131.03401	7.9
132.02092	1.5
133.02856	2.7
134.03615	1.9
134.05983	1.0
135.04408	6.7
137.02280	1.0
149.04448	1.5
149.05992	2.2
150.06369	1.5
151.03905	1.5
152.07095	6.4
159.03069	0.9
159.04414	2.3
160.01581	7.1
161.02377	12.4
161.04449	7.2
161.05772	1.4
161.09590	0.9
169.01292	1.4
175.03941	7.0
176.01018	1.1
179.03366	4.1
183.10141	1.5
189.01817	2.2
190.05048	1.8
191.03429	2.2
191.05479	1.4
193.05031	3.6
195.06595	7.7
219.41150	0.9
227.12843	1.5
239.11713	1.0
240.55814	0.8
249.15875	0.9
283.10956	4.3
295.10626	1.0
305.04608	1.3
331.17618	24.4
332.17883	1.9
340.11069	1.2
341.11508	1.6
342.05106	1.2
343.06055	1.2
360.06287	1.6
373.25827	1.2
375.27478	26.0
376.27869	2.2
463.21780	8.1
464.22055	1.7
480.13394	1.2
492.17984	2.6
523.09131	1.3
523.21722	14.7
523.31317	5.7
524.20367	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03321	2.3
58.00462	1.8
59.01249	100.0
60.01590	1.2
61.98709	3.2
66.33002	0.7
69.03324	0.7
69.35089	2.2
69.35506	3.4
71.01251	38.9
72.99187	1.9
73.02817	10.0
75.00758	0.8
81.03330	1.0
83.01265	4.1
85.02819	13.8
87.00764	1.4
88.98647	1.6
89.02313	20.7
89.57297	0.7
95.01274	3.1
97.02805	1.1
99.00750	5.6
101.02318	27.2
108.02088	0.9
109.02840	2.3
113.02324	15.6
119.03396	5.5
120.73238	0.7
121.02850	1.1
123.04394	1.9
125.02354	4.2
131.03386	7.2
133.02861	1.5
134.03648	1.9
135.04413	59.7
136.04774	2.8
137.02388	1.1
143.03406	4.2
145.55913	0.7
149.02371	1.6
149.04442	6.2
149.05606	0.8
150.03134	2.6
153.01866	2.1
159.02930	1.7
160.01588	1.6
161.02435	5.5
161.04459	16.1
162.03146	1.2
162.04874	0.9
163.03889	1.2
165.01836	1.1
165.05482	3.1
169.01358	0.9
175.03969	2.7
177.01831	1.3
177.05453	0.8
179.03415	60.3
180.03911	3.0
180.98799	0.7
191.05540	3.4
195.06563	4.9
233.06618	1.6
293.08994	0.9
324.02731	1.0
325.03540	1.3
331.17615	77.3
332.17923	7.5
341.08807	4.1
347.04166	1.3
361.14883	0.7
361.22348	0.8
366.91699	0.7
367.51123	0.7
455.15472	0.7
463.21866	14.7
464.22318	2.3
487.08670	1.9
523.18463	8.0
524.18835	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93058	2.0
55.01746	6.8
55.94774	2.2
57.03321	6.5
59.00956	4.6
59.01250	75.5
69.22919	25.5
71.01252	60.1
73.02821	19.7
74.52665	2.1
83.01257	9.8
83.19556	2.3
85.02822	32.8
87.00738	3.7
89.02314	10.6
95.01268	7.0
97.02870	2.8
99.00742	8.1
101.02313	42.7
113.02343	21.2
122.84666	2.4
125.02319	4.1
131.03404	16.8
143.03348	3.1
159.02826	2.8
161.04436	33.5
183.10210	7.9
193.33627	2.2
194.00883	4.1
297.11865	3.4
331.17609	100.0
332.17883	8.2
463.21796	35.0
464.22269	6.6
523.23340	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.7
57.03303	1.4
59.01252	31.4
61.98699	8.1
67.63996	1.0
69.03316	1.9
71.01253	27.4
71.38245	2.1
71.50938	1.2
72.29544	1.0
72.99167	2.7
73.02814	7.8
73.52532	1.0
75.00733	1.6
81.03338	1.4
83.01244	3.7
85.02826	11.4
87.00725	2.6
88.98667	2.1
89.02313	17.9
90.37167	1.0
93.03310	4.6
95.01253	3.0
95.04899	2.0
97.85606	1.1
99.00735	3.5
101.02329	21.5
102.98461	2.7
105.03293	1.5
107.04894	2.2
108.02052	45.2
109.02933	29.0
110.02495	3.2
110.03146	10.8
111.00764	1.6
111.03281	4.7
113.02332	10.5
119.03371	4.3
119.04897	3.9
120.99525	1.7
121.02801	3.8
122.06006	2.6
123.00782	2.1
123.04417	2.5
125.02340	5.5
125.33318	1.0
131.03384	7.1
133.02823	4.1
135.00763	1.3
135.04422	11.7
137.02292	4.1
137.05930	2.1
143.03329	2.2
145.02864	1.2
147.00690	1.6
147.04413	1.1
148.01520	3.9
149.02353	7.6
149.04433	6.6
149.05995	1.3
150.02899	2.1
151.03883	2.6
152.01048	47.5
152.07089	6.1
153.01791	31.6
153.91670	1.0
154.01382	4.9
154.02167	8.0
155.02318	5.4
159.02943	1.2
159.04388	1.5
160.01585	2.6
161.02315	4.8
161.04425	9.8
163.03845	3.4
164.04628	4.2
165.01788	2.6
165.05132	1.9
167.03419	2.0
168.00459	1.7
169.01320	2.5
173.04506	2.4
175.00337	5.1
175.03831	3.0
176.01007	10.8
177.01878	45.5
178.01979	2.1
179.03430	2.2
179.05482	1.2
181.04997	6.8
181.08528	3.0
183.10078	1.1
190.02637	12.4
191.03177	12.4
191.05516	3.4
192.03413	6.9
193.03969	3.6
195.06509	2.7
205.05025	9.6
206.05310	4.7
207.05482	4.5
209.04332	1.2
223.05978	2.3
239.11783	1.0
253.91620	1.1
283.10806	3.4
291.99203	1.1
293.08630	1.3
300.99939	1.5
315.07208	7.3
316.07550	7.6
317.07721	10.6
331.17624	22.7
332.17865	1.5
343.11584	1.6
344.73929	1.2
354.09094	1.7
355.09299	3.6
361.12668	1.1
403.14319	1.4
448.18607	4.6
463.21793	27.7
464.22104	3.5
479.05188	1.2
491.10056	1.4
492.17529	5.0
492.44958	1.2
523.13416	100.0
523.19318	4.5
524.13562	10.5
524.20697	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	523.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74791	0.5
57.03325	1.2
58.00457	0.8
59.01246	13.9
61.98704	4.3
62.45939	0.5
69.03311	0.8
70.94695	1.5
71.01249	10.9
71.04890	0.7
73.02811	2.4
75.00748	0.8
83.01254	1.0
85.02814	4.4
87.00768	0.8
87.04380	8.6
88.98651	0.7
89.02311	6.7
93.03296	0.8
93.06989	1.4
95.01244	0.9
95.04900	0.8
99.00746	1.1
101.02322	8.5
101.06000	0.6
107.04903	0.8
109.02835	1.0
109.06503	2.5
109.95249	0.5
111.04371	0.6
111.08030	0.5
113.02325	5.1
115.05415	25.4
116.05777	1.0
117.03351	0.7
119.03393	4.0
121.02868	0.8
121.06450	0.6
122.03604	0.7
123.04443	1.0
123.08077	1.6
125.02316	2.2
125.06001	0.9
131.03384	1.4
131.04918	1.0
132.02052	1.7
133.02812	1.0
134.03609	3.8
135.04404	2.6
137.02332	1.3
137.05984	5.0
138.01830	0.6
139.07524	5.0
139.11195	0.9
143.03381	1.0
145.02879	0.8
149.02342	1.5
149.04425	1.3
149.06029	0.8
150.03094	1.7
151.03928	1.1
158.03606	3.1
159.04416	100.0
160.01559	10.7
160.04736	4.8
161.02332	3.5
161.04457	3.2
161.05949	0.7
162.03052	0.5
163.03929	1.1
164.04623	1.1
165.05482	2.3
165.09132	0.8
167.03401	0.7
167.07018	1.0
169.01308	1.3
172.79405	0.6
175.00247	0.5
175.03914	12.5
177.01845	4.7
177.05482	2.3
178.02541	0.6
179.03412	1.2
179.05510	1.4
179.07082	1.4
179.10712	0.7
181.08649	1.0
183.10187	1.9
184.41379	0.5
191.03307	1.0
191.05519	1.3
193.04974	4.7
194.05426	1.0
195.06566	2.1
197.11742	0.9
199.82822	0.5
201.09387	0.7
201.11241	14.2
202.11635	0.7
205.04961	0.6
207.10229	0.6
215.12822	4.7
224.76117	0.6
225.11263	31.6
226.11664	2.3
231.02893	0.5
235.05969	0.7
243.12331	7.1
244.12781	0.7
255.12288	3.3
267.12909	0.6
279.14630	0.5
285.13303	0.8
287.37750	0.5
303.14828	0.6
317.04205	0.6
324.02713	1.0
331.17603	9.0
332.17926	0.9
340.04581	0.7
343.06137	0.7
346.04813	2.6
355.06873	0.8
360.06345	1.5
361.07080	0.7
375.27411	4.3
405.24918	1.2
463.21729	3.1
464.21851	0.7
477.23743	0.9
487.08847	1.0
523.21631	15.5
524.22345	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	523.218
Annotation	Mascaroside
Peak:m/z	Relative Intensity
56.77293	0.5
57.03322	0.8
59.01244	3.2
65.00204	0.6
67.01761	0.9
67.60618	0.4
69.03306	0.6
71.01240	2.8
72.99176	0.5
73.02814	1.3
73.12146	0.5
79.01775	1.2
83.01222	1.2
85.02814	2.0
87.00734	0.6
89.02288	0.6
95.01247	1.7
96.95880	0.7
98.20579	1.0
99.00738	0.5
101.02316	2.3
107.01288	3.3
109.02838	0.5
111.00751	1.7
113.02299	1.6
113.44025	0.4
119.03398	0.5
123.00768	15.2
123.04388	1.5
124.01620	1.1
125.02330	15.9
127.00253	0.7
130.40361	0.4
136.98717	1.0
137.02313	0.7
139.00269	4.9
140.01056	3.2
141.01817	3.0
150.42929	0.4
151.00273	13.0
153.01826	0.8
153.05461	1.6
163.03894	0.8
168.00551	4.4
169.01328	26.5
170.01686	1.1
177.03940	0.8
179.03391	1.3
181.04938	0.6
183.10684	0.4
192.03116	0.5
205.05042	0.7
209.04337	0.5
209.15451	0.6
211.02396	1.9
224.35384	0.5
271.04581	1.6
313.05759	1.9
324.02634	2.7
325.03506	1.8
367.10046	0.6
369.10910	1.1
487.08859	1.8
497.66888	0.5
523.21790	100.0
524.22150	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	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03314	2.2
58.00449	1.6
59.01247	44.2
59.56543	0.5
61.14101	0.5
61.98693	3.5
65.59000	0.5
67.01765	0.7
69.03307	0.7
71.01247	32.7
72.01596	0.6
72.99162	3.4
73.02815	4.2
75.00723	1.0
76.08759	0.4
79.95641	0.6
80.02527	2.2
80.31769	0.4
81.03317	0.8
83.01253	2.1
85.02820	10.5
86.03587	1.1
87.00753	3.7
87.04405	0.6
88.98688	1.1
89.02311	35.1
90.02695	0.5
93.03329	1.9
95.01257	3.0
95.04895	63.2
96.05223	2.1
96.95872	1.4
97.02812	0.7
99.00736	1.9
100.83783	0.5
101.02314	22.8
102.02671	0.5
107.01266	0.4
108.02058	1.2
109.02832	2.5
110.06931	0.4
111.04366	0.5
113.02324	13.7
117.03359	1.0
119.03384	15.6
119.08536	7.2
121.02892	1.0
121.06466	0.5
123.00787	1.0
123.04403	3.7
125.02330	4.2
129.92752	0.5
131.03404	2.3
132.02052	0.8
133.02869	4.4
133.06450	2.5
134.03613	2.3
135.00797	0.8
135.04402	14.5
137.02351	2.7
137.09660	1.2
139.00241	2.1
139.03879	0.5
139.07568	0.9
140.00964	0.7
141.01831	0.6
143.03409	2.9
143.04904	1.7
145.02823	1.8
147.04451	0.8
149.02344	1.8
149.04451	1.5
149.05956	1.4
151.00279	1.3
151.03888	1.8
152.01012	0.5
153.01833	2.0
153.05452	0.8
153.09134	0.6
155.10693	4.9
159.04401	1.3
160.01550	3.2
161.02345	15.1
161.04459	5.0
161.05989	2.0
162.02733	0.8
163.03920	1.4
163.07532	3.5
168.00565	0.9
169.01317	2.0
173.04578	1.0
175.03909	6.5
176.04234	1.1
177.01904	2.2
177.05527	3.8
179.03404	13.8
179.05495	5.0
179.07048	1.6
181.08611	100.0
182.08914	5.3
183.02930	0.9
183.10220	0.8
189.01898	0.9
190.02652	0.6
190.54681	0.5
193.04980	1.7
195.02731	0.5
199.09702	3.6
206.05862	0.5
211.02306	0.8
221.04492	4.8
223.09727	0.5
225.11174	0.6
229.01527	0.7
251.05539	4.5
260.63080	0.5
270.26166	0.6
277.97391	0.5
281.06577	5.8
283.10718	0.6
300.99838	0.6
302.28714	0.5
305.04520	0.6
307.02869	0.5
323.07663	6.9
324.07962	0.9
331.17688	2.7
341.08682	5.3
341.12427	10.1
342.12601	1.0
351.05139	0.5
361.03601	0.7
361.12811	2.2
362.13156	0.6
373.25995	0.8
374.26163	0.8
375.27478	10.5
376.27567	0.7
463.21890	3.9
523.22064	12.3
523.30774	1.5
524.21747	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	523.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.4
59.00961	6.2
59.01250	100.0
61.98698	74.9
69.11377	3.5
69.27167	39.2
71.01259	33.7
71.04909	4.6
72.01540	5.1
72.99181	6.3
73.02824	18.1
75.00733	6.0
81.03363	5.4
83.01246	9.9
83.04858	5.5
85.02824	23.2
87.00746	11.5
89.02322	11.7
93.03319	7.5
93.44878	4.0
93.93378	4.4
97.02837	5.1
99.00746	4.2
101.02329	30.4
108.02052	33.2
109.02827	40.1
113.02313	14.0
117.03419	4.8
119.03402	4.4
119.04923	4.7
119.17619	4.1
121.02847	6.7
123.00758	6.8
123.04397	8.8
125.02322	15.1
131.03343	4.6
133.02829	9.2
134.03630	7.1
135.04395	13.5
137.02336	7.5
145.02820	16.4
148.01540	4.5
149.06047	5.0
151.00282	5.0
152.01091	32.4
152.07091	4.7
153.01826	16.5
160.01544	15.7
161.02304	18.5
161.04416	6.7
162.03050	17.1
163.11287	5.2
165.01836	14.6
165.09067	22.1
166.09331	4.1
169.01302	10.0
175.03860	22.9
176.04222	6.6
177.01845	6.5
177.05444	9.4
179.10709	7.1
189.01793	5.0
190.02541	5.8
191.03499	8.0
191.05481	13.8
193.01300	6.5
193.04994	6.4
198.80598	4.2
207.10190	11.6
227.03180	4.7
233.00832	16.6
270.98923	4.2
271.02423	25.4
298.98914	6.5
299.01852	33.9
299.98721	4.9
305.04434	9.1
314.00720	8.4
314.04294	32.7
315.05087	25.5
331.02542	5.4
349.03244	5.4
359.27988	4.8
360.28369	11.4
361.03394	7.1
361.28763	7.1
435.19293	6.1
449.29083	4.6
461.10822	73.5
492.18097	5.8
522.33728	94.3
523.21997	84.9
523.34277	89.3
524.09399	8.2
524.22217	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	522.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
63.43942	0.5
65.38569	0.5
86.22572	0.5
97.14048	0.5
97.25108	0.5
98.20545	1.5
189.01755	0.6
229.57220	0.7
238.70053	0.5
322.45477	0.6
325.86362	0.6
329.04581	1.3
346.05066	1.2
347.05588	1.0
362.21756	0.6
459.11084	1.8
535.68024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51987	0.5
59.01234	1.9
60.01551	0.6
60.93068	0.5
61.98700	100.0
70.27443	2.3
82.41354	0.6
90.74092	0.5
160.78589	0.6
161.22202	0.6
187.00284	2.4
189.01871	9.0
191.19810	0.6
198.52956	0.5
236.09979	0.6
251.07150	1.3
349.06464	0.6
384.06458	1.0
398.40555	0.6
398.78625	0.6
409.63705	0.7
459.10779	1.8
521.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.4
59.55913	1.5
61.98702	100.0
71.01196	2.2
80.01518	1.7
85.02794	1.6
87.79161	1.5
88.74498	1.7
96.11522	1.7
111.60200	1.7
113.02312	1.8
139.11069	1.7
189.01868	5.3
229.90367	2.3
271.22693	2.0
271.49210	1.7
272.22885	1.7
332.61407	1.6
521.35022	2.9
522.30090	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	522.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
61.98700	100.0
69.91911	0.8
69.92305	0.6
71.36375	0.3
98.08710	0.3
118.75753	0.3
126.38111	0.3
154.20717	0.3
161.02255	0.3
174.03099	0.4
187.00281	3.0
189.01851	9.7
190.02257	0.4
215.03435	0.4
231.06638	0.4
239.07112	0.5
285.07800	0.4
306.60544	0.3
359.55457	0.4
441.09738	0.5
459.10974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.7
61.98701	56.7
71.01218	0.9
71.30841	1.8
117.03358	1.1
125.02318	1.4
143.78580	0.9
150.55737	0.8
161.02354	6.2
173.02283	1.0
174.03123	2.1
175.03847	1.0
187.00288	25.0
187.03918	2.7
188.00740	1.1
189.01852	100.0
190.02196	4.8
199.03946	1.2
200.04709	1.2
215.03468	9.5
216.03828	1.3
224.04738	28.4
225.05113	2.1
226.02658	1.2
227.03445	1.2
231.06569	6.6
232.06888	0.9
235.09750	0.9
239.07118	6.3
240.07512	1.0
246.46672	0.9
253.08662	10.6
254.08809	0.9
262.66510	0.9
311.92770	0.8
321.04034	0.9
345.04120	1.5
346.04877	1.9
347.05469	2.2
355.06143	2.8
383.05615	9.9
384.06128	2.7
395.09186	2.9
397.10880	1.8
398.07867	1.8
411.04953	1.9
412.05844	7.1
412.71719	1.0
413.10666	1.0
423.08771	2.1
441.09772	32.5
442.10034	5.4
459.10861	8.2
460.10901	1.6
521.34241	2.0
522.07715	1.9
522.26563	1.0
523.09033	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	522.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32339	1.1
59.01250	7.5
61.98700	100.0
69.29931	9.2
84.64771	1.1
86.56001	1.0
87.00757	1.0
90.86139	0.9
96.95827	1.1
120.13719	1.2
125.02320	1.3
137.02335	1.1
161.02361	3.3
174.03148	11.4
175.03731	1.5
187.00311	13.4
187.03809	1.7
189.01852	53.2
190.02086	2.4
201.05499	1.2
215.03412	13.5
224.04684	2.0
231.06552	31.9
232.06944	1.8
239.07126	1.9
261.45917	1.2
262.44351	1.2
300.99698	1.4
329.04645	1.5
339.06458	2.1
345.03796	1.4
355.06140	5.6
367.05978	1.6
383.05573	36.4
384.06128	6.5
394.03830	1.1
395.09277	1.7
411.05008	4.4
412.00357	2.2
412.05859	32.9
413.06052	3.6
413.10681	1.7
441.09763	43.7
442.10162	7.4
447.33615	1.2
459.10706	9.7
460.10751	2.0
487.33401	12.6
488.33807	2.2
521.34222	4.2
522.07416	2.4
522.33655	1.2
523.08655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76772	0.4
59.01241	2.0
61.98686	0.6
68.99701	0.4
70.83230	1.4
80.96389	0.5
83.40916	0.5
95.01244	0.8
105.62762	0.5
108.02026	1.2
109.02832	2.6
123.00805	0.9
124.01512	0.5
136.01572	0.5
137.02324	3.6
138.02037	0.7
138.03127	14.6
139.00304	0.6
139.03836	1.4
153.01840	0.5
153.04257	0.9
153.05481	17.7
165.01837	10.7
165.12732	0.5
166.02615	9.0
167.03053	0.5
175.03957	0.9
179.03357	0.6
191.03426	0.6
195.06540	0.9
269.08167	1.2
279.19748	0.8
283.09839	0.7
295.09772	0.5
315.27740	0.5
385.20251	2.1
399.21533	0.5
415.24878	100.0
416.25220	13.3
424.09790	0.6
451.61136	0.5
503.28015	4.4
504.28061	0.6
521.29712	7.4
522.29382	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	521.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13981	1.3
59.01244	5.8
61.98684	1.6
71.01244	1.4
71.54768	1.3
74.25638	1.3
91.60035	1.1
95.04903	2.9
96.95901	1.5
105.03343	10.0
123.04477	1.7
132.02083	4.6
133.02844	41.3
133.03839	2.3
134.03693	9.1
135.04391	3.1
137.02371	6.0
138.03169	2.3
139.03894	1.9
144.53757	1.4
145.02890	3.4
147.04491	2.2
148.05199	3.1
149.06030	1.6
153.05479	3.1
160.01570	29.1
161.02347	21.9
161.05977	3.5
165.01945	1.7
166.02496	1.9
175.03917	75.4
176.04311	3.3
177.01910	3.7
178.02661	2.6
178.89070	1.4
179.03415	4.0
193.04926	6.6
229.26324	1.7
247.09801	2.3
267.06500	2.4
269.08212	2.9
271.13416	1.7
271.22836	8.4
275.12805	2.2
291.06793	1.5
299.16638	1.5
303.15939	1.8
345.20767	6.2
347.25998	2.5
361.27521	3.1
375.21793	2.2
381.13464	3.7
415.24890	23.7
416.25385	2.8
429.20792	1.2
429.26376	28.5
430.26636	2.8
433.25937	3.0
447.27490	41.7
448.27997	8.5
506.28729	3.3
521.31317	100.0
522.31598	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03332	0.4
58.00460	0.8
59.01248	47.2
59.98392	0.7
60.01587	0.4
69.03326	1.0
69.32156	1.8
69.32571	1.0
71.01250	24.8
72.99180	0.8
73.02809	2.2
75.15028	0.3
81.03336	0.6
82.36038	0.3
83.01256	1.1
85.02819	3.6
87.00768	0.7
89.02314	37.1
90.02663	0.5
93.03297	0.3
95.01278	0.8
97.02809	1.6
98.03645	0.4
98.20592	0.5
99.00783	1.6
99.04395	1.1
101.02322	11.3
109.02797	0.3
113.02332	5.7
119.03381	1.5
125.02336	15.5
126.02686	0.4
129.01849	0.5
131.03395	14.0
132.03740	0.5
134.03557	0.4
139.03735	0.3
143.03389	0.6
149.04456	16.3
150.04770	0.6
161.04471	1.6
167.10681	100.0
168.11020	4.7
173.04393	0.5
175.03931	1.1
191.05557	6.8
191.10739	1.1
193.04926	0.7
209.11789	0.7
233.06657	1.1
275.07867	0.3
293.08768	15.1
294.09021	1.1
300.99564	0.3
311.09979	0.6
341.16379	0.3
373.26044	0.6
461.20242	3.6
521.07471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02432	0.8
50.24936	1.1
52.21835	0.8
59.01248	2.2
61.98690	1.4
65.00193	0.9
71.17168	1.4
78.95776	0.8
95.01263	1.9
108.02048	1.9
109.02822	2.9
117.03253	1.0
121.02781	1.1
124.01586	1.4
137.02348	4.7
138.03123	19.3
139.03938	4.8
145.02844	1.6
151.25211	0.9
152.99498	1.0
153.05486	19.8
154.05846	1.8
156.70061	0.8
163.03720	0.9
164.01035	0.9
165.01842	14.2
166.02597	8.1
191.03410	0.9
193.04958	1.1
195.06540	3.5
210.60587	0.9
253.05037	2.6
257.28793	0.9
267.06567	1.7
269.08020	1.5
283.09790	3.4
294.97937	1.2
375.21793	2.7
385.20184	1.1
415.24872	100.0
416.25162	11.7
471.25534	2.1
503.28122	8.2
521.29712	25.8
522.29602	5.0
540.71655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.1
57.03315	1.3
58.00452	2.1
59.01248	37.9
60.01563	1.0
66.62082	0.8
69.00751	0.9
71.01249	26.7
72.99194	4.2
73.02822	4.8
74.98990	0.9
83.01231	3.4
85.02818	8.8
87.00729	2.3
89.02315	14.9
93.03301	1.0
95.01247	2.5
96.95912	1.0
98.20598	1.3
99.00748	2.2
101.02316	17.4
108.02020	1.4
109.02820	7.8
111.00717	1.7
113.02334	8.1
119.03371	6.5
121.02840	1.4
123.04366	2.0
124.01524	1.2
125.02312	2.7
131.03395	1.6
135.04401	7.3
135.98210	2.3
137.02344	1.2
137.09573	1.3
145.02850	2.4
149.04396	2.1
149.05968	1.7
150.03047	1.3
151.00264	1.1
153.01802	1.7
159.04391	3.5
161.02312	3.0
161.04414	1.7
161.05789	0.9
163.03888	1.2
172.05086	0.8
173.05983	2.9
175.03915	1.1
177.01843	2.1
179.03430	3.7
179.06993	2.5
181.08662	1.2
182.02097	1.6
183.02881	0.9
187.07507	1.5
189.05461	2.6
191.07080	1.1
191.82590	0.8
197.04401	3.1
199.03795	1.1
205.03241	0.9
241.05167	4.3
255.06572	2.8
267.06445	0.8
268.07254	0.8
271.02335	1.2
272.02719	1.3
281.08032	2.3
283.09921	1.3
293.08847	1.2
295.09741	1.8
299.09134	2.5
300.02399	1.8
311.09210	4.1
313.10892	6.1
316.02234	0.9
326.11508	2.8
327.12289	1.2
329.10199	2.5
329.13892	2.7
341.09149	1.7
341.13867	4.8
343.11679	1.4
344.12595	18.1
345.13068	2.3
359.14960	53.5
360.15341	6.3
389.21744	1.0
503.09924	1.9
521.11835	5.1
521.20203	100.0
522.10291	1.3
522.11530	1.5
522.20544	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53634	0.6
55.01743	2.7
57.03297	2.2
58.00460	2.6
59.01249	42.4
60.01584	0.8
60.99282	0.6
69.27027	6.1
71.01253	29.5
72.99174	3.4
73.02819	4.7
75.00719	0.7
83.01256	4.3
85.02822	10.2
87.00754	2.9
89.02312	13.0
95.01251	2.3
99.00753	1.9
101.02322	17.5
106.90567	0.6
108.02046	1.7
109.02153	0.9
109.02843	11.0
110.03216	0.7
111.00763	0.9
113.02332	7.4
119.03393	6.3
123.04384	2.0
125.02315	1.6
133.02840	1.3
135.04407	1.3
139.00240	1.0
145.02856	0.9
149.04414	0.9
151.00224	1.2
158.03625	0.7
159.03069	0.9
159.04401	5.2
161.02303	1.8
161.05913	1.1
163.52039	0.6
169.01302	1.1
169.03671	0.6
171.04414	1.4
172.05225	1.3
173.04529	1.1
173.05959	5.2
177.01857	0.8
178.99867	0.7
179.03458	0.9
182.02162	0.6
187.07529	1.0
189.05473	3.9
191.07065	1.4
197.04425	0.8
200.15817	0.6
201.05396	1.0
202.02657	3.7
203.07095	1.9
205.08649	0.7
225.05391	0.8
240.04306	1.6
241.04991	8.4
253.05057	1.6
255.06633	4.4
263.07065	1.0
267.06598	2.1
267.09656	0.7
268.07294	1.4
269.08060	1.1
279.06558	0.9
281.08221	3.1
283.09653	1.4
295.09848	2.8
296.10660	1.1
298.08414	1.1
299.09274	4.4
311.09189	4.9
312.09775	1.0
313.10782	7.4
314.11023	1.0
315.12302	0.8
319.25888	0.8
326.11603	5.1
327.12234	1.2
329.10297	3.5
341.13919	4.9
343.11835	2.5
344.12625	24.5
345.04318	1.0
345.13022	3.5
359.14966	62.3
360.15347	7.0
521.20245	100.0
522.20624	16.2
522.28546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03307	1.8
57.27299	0.8
59.00958	1.3
59.01250	19.5
61.98697	10.4
67.01755	2.1
67.22570	0.9
68.99670	1.1
69.03317	1.2
69.32162	2.3
69.32582	5.8
71.01254	11.7
71.89977	1.1
72.99165	2.4
73.02805	3.9
75.00747	1.4
79.95615	1.8
81.03326	2.7
83.01247	2.0
85.02814	4.2
87.00742	2.4
89.02322	4.6
93.03317	1.3
95.01270	8.4
96.95890	6.6
97.02807	1.7
98.20586	1.5
99.00734	1.4
99.93990	1.0
101.02308	5.2
107.01271	5.6
108.02048	13.6
109.02829	22.0
110.03183	1.3
111.00746	4.3
113.02311	4.3
119.01280	1.2
119.03347	1.5
119.04921	2.0
121.02810	2.1
123.00755	19.1
123.04399	3.3
124.01548	4.2
125.02344	31.7
128.74640	1.0
131.03311	1.2
133.02835	2.4
134.03622	1.8
135.04411	5.8
136.98698	1.8
137.02287	2.8
137.09602	2.0
139.00264	7.1
139.03914	1.3
140.01056	6.7
141.01804	2.1
143.03458	2.2
145.02824	1.1
149.02295	1.8
149.06024	1.1
150.03125	2.2
151.00252	4.0
152.01054	14.3
153.01846	17.8
153.05412	1.1
154.99797	1.1
159.04398	2.0
161.02306	4.4
161.04474	1.2
163.03868	1.5
164.04637	2.3
165.01833	2.8
165.05470	2.9
166.99760	6.2
167.03413	5.8
168.00555	18.6
169.01344	49.3
170.01738	1.9
175.00246	3.3
175.03922	1.9
176.01068	5.9
177.01788	2.2
179.03348	1.5
181.08696	0.9
183.02678	1.9
190.02654	10.0
191.03456	7.6
193.01410	1.5
195.06528	1.4
205.05011	10.9
206.05486	1.2
209.04482	3.6
211.02419	60.9
212.02711	2.9
223.06088	2.1
227.12741	2.1
241.03424	1.2
250.11807	1.3
251.05501	0.9
268.07391	1.7
269.08386	1.2
271.04581	100.0
272.04999	5.3
281.08038	1.4
283.09738	2.0
293.08499	1.1
297.11340	1.0
314.11572	1.6
315.07333	5.5
323.07678	1.2
326.11444	1.4
327.12204	1.4
329.13638	1.2
331.06699	20.2
341.13724	2.8
345.13129	1.6
353.08704	2.6
359.11182	1.0
359.15207	1.2
373.19049	1.2
373.25262	1.4
389.66891	0.9
452.18723	1.2
491.19180	12.9
492.19467	2.0
503.19354	13.0
504.19153	1.9
521.12903	21.5
521.20306	27.9
522.13562	3.6
522.20892	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.6
57.03303	1.6
59.01249	32.2
61.98696	3.0
69.03315	0.8
69.44461	2.6
69.44865	1.1
71.01249	9.4
71.04884	1.3
72.99155	0.9
73.02811	3.9
75.00742	0.5
78.95777	1.2
79.59618	0.5
83.01250	2.5
85.02428	0.5
85.02825	6.0
87.00735	0.6
89.02309	1.8
89.92356	0.5
93.03298	1.3
93.06972	0.7
95.01230	1.8
96.95958	0.5
99.00754	1.7
101.02326	8.2
103.03915	0.8
103.05399	0.9
105.96179	0.5
107.04929	0.6
108.02032	1.5
109.02844	1.5
109.06466	1.2
113.02319	4.2
119.03355	1.0
119.04924	0.8
121.02830	1.1
123.08034	0.5
125.02311	1.6
127.07523	1.7
130.04117	2.1
131.04927	5.3
132.05270	0.5
134.03691	0.7
135.04376	1.2
137.02354	0.6
137.05959	1.8
139.11211	1.0
145.02802	1.2
147.04434	7.8
149.05984	15.2
150.06300	0.9
152.01106	0.6
155.07018	1.3
157.02908	0.6
158.03584	0.8
159.02832	0.6
159.87141	0.5
160.01588	0.8
161.02313	0.8
161.04460	2.0
163.03806	0.6
165.09195	0.7
173.02357	1.0
173.04454	0.8
174.03146	13.3
175.03917	100.0
176.04247	5.7
177.05573	0.5
177.77798	0.6
183.10190	7.1
184.10541	0.6
191.05473	0.7
193.04965	5.9
197.11775	5.1
225.11240	6.3
226.11449	0.6
241.18073	1.4
255.02948	1.6
255.12215	0.8
283.02383	3.2
298.04849	2.0
299.26135	0.5
299.99210	0.8
301.19769	0.6
304.09378	0.5
313.07156	4.6
329.19775	0.9
340.25763	0.6
355.10361	3.0
357.26471	0.7
358.27005	1.7
359.27786	6.1
360.28091	0.5
373.25931	1.1
391.15765	0.7
461.24200	0.8
461.31262	3.0
476.34644	1.2
477.34891	1.0
503.31812	0.6
520.33496	4.7
521.07196	1.3
521.20673	3.0
521.33502	69.3
522.33893	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66913	0.8
57.03315	1.4
58.00462	1.2
59.01249	21.8
61.98699	2.9
65.37396	0.9
69.03311	1.4
70.52943	1.0
70.53300	3.0
71.01257	16.1
72.99174	1.9
73.02830	2.0
75.00755	1.1
83.01223	1.0
84.10973	0.8
85.02816	4.0
87.00716	1.2
89.02318	15.4
93.03359	1.0
95.01259	1.2
96.95831	0.9
101.01730	0.9
101.02309	6.2
102.61171	0.9
108.02040	5.1
109.02831	3.5
113.02332	3.3
119.03413	1.2
119.04851	1.3
121.02860	1.9
123.04452	0.9
124.01547	1.7
125.02343	3.5
125.06002	1.1
131.03421	5.2
131.04930	7.0
133.02856	1.6
134.03635	10.4
135.04417	1.9
137.02327	2.1
139.07552	2.1
145.02800	1.3
147.04408	5.0
149.04503	6.4
149.05832	4.5
152.01083	4.2
153.01724	1.4
154.01358	25.0
160.01566	0.9
161.04469	1.0
167.03275	1.1
167.06999	1.6
167.10686	20.5
168.10947	1.2
173.02299	1.4
174.01747	1.2
174.03146	13.8
175.03918	100.0
176.04237	4.6
178.02649	7.0
180.58432	0.8
183.10185	7.6
191.05533	2.4
193.04991	21.8
194.05316	1.3
197.11676	2.5
225.11314	2.9
255.12363	1.2
293.08838	9.5
295.40063	1.1
299.99112	1.2
301.00089	1.0
316.06604	1.9
343.04459	2.1
359.07919	1.5
359.18610	3.8
373.26282	1.3
461.24005	2.1
477.17676	1.2
521.07062	1.7
521.16467	3.3
521.32617	2.1
522.12402	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03299	0.5
59.01250	5.0
61.98697	1.9
69.03313	0.8
69.60715	0.8
69.61146	1.1
71.01242	2.4
72.99165	0.6
73.02808	0.6
75.00740	0.9
80.79472	0.2
82.00475	0.3
85.02826	0.9
89.02327	2.7
92.88540	0.3
93.03331	3.5
95.01273	1.0
96.80970	0.3
101.02325	1.5
108.02066	2.4
109.02856	0.7
113.02325	0.7
121.06452	0.3
123.04381	0.5
125.02335	0.9
127.11238	0.3
128.71034	0.2
131.03366	0.8
135.04413	0.5
138.03084	0.3
139.11189	0.9
147.04420	0.9
149.05981	100.0
150.06311	4.5
153.05426	0.5
161.02325	0.5
161.04422	0.5
163.03879	1.3
167.10684	4.0
173.02393	0.6
174.03111	0.4
175.00372	0.5
175.03931	3.9
179.03438	0.3
181.08665	0.3
182.58435	0.3
183.10175	2.5
187.03983	0.4
190.02614	0.4
191.05453	0.5
193.01295	1.1
193.04984	36.2
194.05409	1.7
201.01845	0.8
201.11241	0.4
205.04919	0.5
211.05983	0.6
215.03407	0.3
223.13249	0.3
279.06635	0.6
291.11926	0.3
293.08591	1.1
300.99615	0.3
321.07642	8.8
322.07861	1.6
323.08221	0.8
337.09253	1.1
355.10269	5.0
356.10727	0.5
359.28018	0.6
372.24698	0.6
373.25775	2.1
521.20288	17.2
521.32245	1.6
522.20575	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67936	0.3
55.01756	0.7
57.03315	1.5
59.01248	21.7
61.98692	0.9
65.03840	0.5
69.37073	2.0
69.37489	0.8
71.01249	6.3
72.99177	10.0
73.02814	3.6
75.00750	1.4
82.00470	0.5
83.01241	0.6
83.04864	0.4
85.02821	2.4
85.40038	0.4
87.00748	1.4
89.02305	4.1
92.02542	0.5
93.03329	2.7
95.01260	1.7
99.00751	0.8
101.02319	4.5
108.02048	2.1
109.02843	1.8
111.00761	1.0
113.02323	2.5
119.03358	1.0
119.04879	0.5
121.02824	0.4
121.06473	0.5
121.62642	0.3
123.08060	0.4
125.02351	1.4
131.03380	3.0
134.03610	0.4
135.04379	0.5
147.04440	0.8
149.05978	100.0
150.06317	5.1
151.00230	0.4
151.03937	0.8
152.04279	0.4
153.01836	2.7
159.02942	0.5
159.04414	1.4
160.01595	0.5
161.04504	1.8
163.03923	1.0
164.04678	0.5
165.12718	0.3
167.10675	2.4
169.01286	0.7
173.04446	1.7
174.03171	0.4
175.03902	2.8
177.01845	1.4
179.05499	0.7
183.10243	2.9
183.13812	1.1
185.11684	0.5
190.02538	0.7
191.05548	1.0
193.04985	31.8
194.05302	1.8
199.62701	0.4
205.05016	0.6
207.13766	0.7
209.11787	1.1
211.02354	0.5
211.06024	0.5
225.14919	1.6
227.10770	0.6
227.12848	7.6
228.13150	0.7
251.11258	0.8
271.04465	0.6
293.08966	0.4
297.03683	0.4
297.12421	1.1
314.09210	0.4
315.18115	1.4
328.99533	0.4
329.16101	1.6
337.09357	0.6
339.10764	0.9
355.10074	8.7
356.10684	0.6
367.09796	0.5
373.25934	7.2
374.26254	0.8
457.15524	0.5
461.20251	0.7
503.24838	1.6
504.25241	0.4
521.20160	19.4
521.26379	9.3
522.20154	3.1
522.26593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.9
57.03318	1.1
58.00462	1.3
59.01246	23.1
69.34030	3.8
69.34453	4.3
69.34992	0.9
71.01247	17.2
72.99182	1.6
73.02815	4.3
83.01249	3.3
85.02821	9.2
86.00009	1.5
87.00761	4.6
89.02299	5.9
95.01264	1.6
99.00759	2.1
101.02319	11.7
109.02824	11.7
111.00745	1.3
113.02328	3.6
121.02831	4.6
125.02329	2.8
135.04402	1.0
145.02835	2.3
147.04419	1.1
149.05978	1.4
153.01823	11.6
159.04451	2.3
160.01469	1.1
161.02367	1.3
168.14191	0.9
175.03915	1.7
183.02902	1.2
183.10220	1.6
197.04453	1.0
238.06343	1.2
240.04256	1.0
261.54962	1.0
263.07111	2.2
265.08694	2.0
267.06567	3.5
268.07364	3.1
269.08228	4.9
270.08972	2.2
280.07422	1.6
281.08041	7.4
282.08868	5.2
283.09625	5.6
284.10364	1.1
293.08093	3.5
295.09695	3.2
296.10541	2.1
297.11206	1.4
299.09198	3.5
300.10110	1.2
311.09247	6.3
312.09781	2.1
314.08148	2.1
314.11597	7.1
315.12238	4.0
326.11606	12.6
327.12271	9.0
328.12836	1.3
329.13892	9.6
330.14200	1.6
340.09439	1.2
341.13907	11.4
342.14246	1.5
343.11783	3.0
355.11917	5.8
356.12408	1.4
385.14774	1.2
400.71808	0.9
436.26929	1.0
445.15134	1.9
461.14267	2.6
473.14651	6.7
474.14978	1.3
476.16837	9.5
488.16953	8.0
489.17142	1.3
491.11694	2.1
491.19193	84.5
492.19666	14.3
503.19208	100.0
504.19598	15.4
521.12469	1.0
521.21576	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	521.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29482	0.9
51.98796	0.9
58.00483	1.1
59.01248	5.8
62.28334	0.9
70.99567	2.2
71.01245	4.9
73.02827	2.3
83.01259	1.3
85.02841	1.0
89.02317	4.1
96.95875	1.4
101.02309	1.8
109.02850	2.5
111.00771	1.1
113.02328	2.2
122.06003	3.1
124.89822	1.1
125.02312	2.1
131.03477	2.4
132.04439	1.2
135.04430	2.2
144.04475	2.4
146.05994	2.3
147.03099	1.2
149.04462	2.3
153.09117	3.2
160.03954	1.9
161.02306	1.3
162.05504	1.7
172.03934	3.0
173.04671	1.7
174.05533	4.1
176.07077	1.1
179.05554	1.0
190.05037	2.1
191.05521	2.5
197.08170	6.6
202.05081	1.8
204.06554	6.9
205.07484	0.9
229.13475	1.9
230.04381	1.0
231.05310	1.4
232.06104	1.0
238.11113	2.1
239.11646	1.1
240.08965	1.4
241.09784	1.3
248.05577	2.8
252.08824	1.0
253.09811	1.3
253.13382	6.0
254.10446	1.0
255.11285	1.9
262.07260	1.8
263.07855	1.0
263.20740	1.0
267.07727	1.8
267.11520	1.1
268.08524	1.7
269.09229	1.3
269.12897	3.5
279.11420	1.2
280.08551	1.7
281.09265	4.0
282.09973	1.7
283.10858	2.8
295.07700	1.5
295.10895	5.3
296.11630	4.4
297.12418	22.8
298.12643	1.9
300.99768	1.7
311.10495	1.2
311.13828	2.1
313.12009	1.2
314.09109	1.3
316.14594	3.0
323.10382	2.0
325.11890	5.6
329.11285	1.2
329.15253	1.3
337.11963	2.0
341.11005	1.6
353.11307	2.1
355.12973	33.0
356.13504	4.5
364.85706	1.1
367.12897	3.8
369.10901	1.5
381.10779	3.3
387.15814	2.7
391.13046	1.3
399.11917	29.2
400.12189	4.4
401.13470	8.9
411.12091	4.0
413.13525	1.5
431.14554	100.0
432.14835	13.9
443.14612	7.6
453.13141	2.6
461.15616	9.5
462.16025	1.3
467.14658	3.0
478.19727	1.8
479.04724	1.0
485.15613	3.8
489.15240	2.8
503.16638	2.8
521.17749	28.3
522.18298	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	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00011	0.7
59.01241	2.9
69.24530	6.9
69.24949	2.5
71.01234	2.3
85.02828	2.1
89.02313	1.3
95.01248	1.8
98.20629	1.5
101.02331	1.6
108.02056	50.9
109.02856	22.1
113.02334	1.3
119.01290	1.4
121.02863	1.2
123.00793	1.3
125.02333	1.8
131.94402	0.8
135.00810	1.4
135.04369	1.7
149.02321	3.8
150.03119	2.6
152.01059	65.7
153.01837	15.7
161.02319	1.5
163.03938	2.0
164.04669	3.6
165.01891	1.4
166.02606	0.9
167.03409	1.1
175.00310	7.6
176.01054	10.2
176.43175	0.7
177.01785	2.3
179.07010	1.0
190.02644	19.1
191.03400	18.0
192.03952	1.2
194.02184	1.1
195.02907	3.2
205.05019	18.6
206.05347	0.9
207.03000	0.8
209.04399	3.0
223.06104	1.6
250.17960	0.8
255.05115	2.4
315.07156	17.7
341.14136	1.2
353.08841	5.5
477.14182	3.6
489.10510	2.3
521.13013	100.0
522.13312	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60902	0.4
53.72332	0.5
59.01242	2.3
69.33992	3.1
71.01240	2.0
81.03339	0.5
85.02853	1.2
89.02294	0.8
91.01791	0.5
93.03347	0.9
95.01299	0.6
95.04906	0.8
96.95881	2.7
98.19996	1.6
101.02319	1.4
108.02066	0.5
109.02840	0.6
113.02357	1.0
119.01247	2.1
121.02861	1.1
122.03631	0.7
123.00822	1.1
123.04404	85.8
124.04732	2.9
125.02333	1.2
134.03680	0.5
135.04439	0.7
137.02403	0.6
147.00797	1.8
149.02354	6.8
150.02722	0.5
152.01073	0.5
153.05475	100.0
154.05798	4.7
163.03949	0.5
164.04709	7.3
165.01869	0.6
168.00609	1.1
169.01329	1.4
174.03191	0.6
175.00276	9.8
175.03857	0.7
176.00786	0.7
179.07118	2.0
183.06601	1.0
189.01950	0.9
189.47455	0.5
190.02635	34.0
191.03015	2.2
193.01428	0.8
195.02760	0.5
205.04993	52.1
206.05330	3.1
208.03691	1.7
209.04462	0.9
211.02396	1.4
223.06053	13.7
224.06502	1.0
227.12900	0.7
247.06096	0.9
265.07114	0.7
271.04657	2.6
303.87390	0.4
315.10709	2.0
331.06750	0.6
352.07858	0.6
367.10306	88.2
368.10617	6.7
401.79913	0.4
436.71652	0.5
437.74884	0.5
439.87604	0.4
455.63135	0.5
486.52066	0.5
521.16644	2.7
521.26453	1.1
522.20770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42152	0.5
51.47204	0.7
59.01249	100.0
60.01591	1.1
61.98703	1.0
70.24591	1.7
70.24932	0.9
78.95776	4.0
106.14662	0.6
110.41500	0.6
121.18840	0.7
123.11724	0.7
130.92825	0.6
151.55452	0.7
152.99475	9.3
218.35959	0.7
264.63489	0.6
278.37805	0.6
301.70544	0.6
307.77878	0.6
519.24432	2.0
519.33698	4.4
520.33551	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	520.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93411	2.5
59.01254	28.0
69.22646	27.4
71.01257	22.3
73.02837	4.1
81.10692	2.5
83.01252	6.9
85.02818	6.3
87.00733	3.6
89.02304	10.1
93.03329	3.6
96.95900	3.4
99.00752	3.8
101.02316	12.2
107.01288	3.8
109.02815	17.9
111.00747	2.6
113.02319	5.0
117.46470	2.4
119.03352	3.1
121.02827	8.7
123.00782	5.6
125.02305	8.2
133.02844	7.1
134.02373	3.5
135.00774	4.6
135.04358	4.3
137.02353	13.2
139.03912	3.6
145.02802	4.1
145.22264	2.7
146.02377	3.0
148.01559	16.8
149.02312	10.4
151.00313	12.5
152.01028	4.3
159.04369	3.5
161.02374	15.5
162.01859	18.5
163.00249	7.4
163.03893	6.6
164.03416	14.1
165.01823	4.9
175.03853	3.9
176.01028	3.4
176.03403	4.3
177.01846	41.2
178.99754	10.3
186.01828	7.8
190.01385	7.3
191.02066	5.0
191.05434	2.3
193.01317	4.3
202.01367	3.4
202.99802	7.2
204.01207	4.6
204.02948	40.6
205.01254	3.2
227.03441	7.0
230.00824	13.3
241.04996	4.1
243.03065	6.1
255.03009	5.8
262.35895	3.5
265.48499	2.7
266.04507	2.8
269.04694	4.6
271.02509	21.1
272.03040	6.3
273.03992	2.7
283.02307	3.9
285.04062	4.8
294.04132	7.1
295.02219	3.7
296.58334	2.6
299.01950	30.0
300.02533	5.9
301.03098	2.6
310.03448	3.8
311.04221	3.4
311.07941	3.8
313.03500	14.3
314.03949	2.7
316.02066	16.4
317.03030	20.4
322.03607	20.5
323.03967	3.4
326.11429	3.1
339.03818	21.3
340.04578	43.8
343.07053	3.7
344.12537	8.0
355.06775	19.1
357.04700	9.5
358.05463	11.9
359.15002	22.2
384.09381	32.9
385.09497	3.9
410.07257	33.5
411.07181	3.2
479.08035	18.2
502.09998	33.2
503.10364	4.4
520.10889	100.0
521.11041	12.6
521.20135	34.7
527.10864	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	519.3167
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
50.74287	0.3
55.01751	0.9
57.03316	1.0
58.00449	0.6
59.01250	23.2
61.98387	0.4
61.98701	6.0
71.01254	9.9
71.04900	2.5
72.99164	0.8
73.02815	2.1
78.63470	0.3
83.01242	1.3
83.04900	0.5
85.02829	4.2
87.00729	0.7
89.02315	2.9
95.01257	0.7
97.02843	0.4
97.06454	0.5
99.00743	0.9
100.26820	0.3
101.02322	7.3
113.02322	3.3
119.03352	0.8
121.02825	0.8
123.04404	0.8
125.02299	0.6
127.35065	0.4
128.38155	0.3
153.05435	0.8
161.04381	0.6
166.02583	0.3
173.02365	0.4
174.03105	0.9
175.03917	1.8
185.11736	0.9
196.03529	0.3
217.01414	0.4
236.35812	0.3
295.06100	1.8
297.24271	0.4
299.98959	0.5
309.24225	0.8
311.25848	0.4
327.25421	3.8
328.25598	0.6
337.24094	0.3
339.25366	6.2
340.25739	0.9
357.26428	16.2
358.26797	1.5
375.27509	0.5
387.23834	0.4
431.35284	0.9
457.33389	0.9
459.29752	0.9
475.34290	2.5
476.34915	0.6
501.30887	1.2
519.31836	100.0
520.32220	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	519.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.0
59.01253	4.4
61.98696	2.0
66.53627	0.5
71.01257	1.6
73.02816	4.7
74.50138	0.5
78.95772	1.0
83.04903	0.6
87.74408	0.5
98.20687	1.0
101.02307	0.6
112.72491	0.5
151.03932	0.6
175.03934	0.9
208.92696	0.5
208.94899	0.5
225.15001	0.5
237.14877	0.7
336.99811	1.1
356.03281	0.7
357.03903	1.1
357.26199	2.3
358.10709	1.2
373.29028	2.8
375.27350	0.7
391.29999	1.5
392.98911	2.1
419.29733	0.6
420.98492	4.3
421.98517	0.7
439.32230	10.4
440.32489	2.0
455.27698	1.1
457.33047	2.0
485.32727	100.0
486.33066	19.0
501.32315	5.3
502.32468	0.8
507.18558	0.6
519.05725	3.5
519.33551	13.2
520.06860	0.9
520.33698	2.9
541.39502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2442
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01752	1.5
57.03322	3.6
58.00463	2.2
59.01250	35.5
60.01562	0.4
61.98692	0.5
69.03336	2.6
69.82500	0.3
70.79770	0.8
71.01254	50.5
71.04897	1.5
72.01591	0.9
72.99174	2.8
73.02818	14.6
73.48413	0.3
74.49677	0.4
75.00744	1.5
79.01769	0.3
81.03331	1.8
83.01254	3.8
83.04895	0.4
85.02824	12.7
87.00742	3.3
87.04395	0.4
89.02316	42.9
90.02657	0.7
93.03358	0.9
95.01286	2.5
95.04900	1.3
96.95888	0.8
97.02831	5.9
99.00755	14.1
99.04394	0.9
100.95133	0.4
101.02321	26.0
108.02061	2.7
109.02855	1.2
109.06445	0.7
111.00768	1.4
111.04405	1.9
112.03902	0.4
113.02330	11.8
113.04213	0.5
113.05943	0.6
113.09625	0.5
115.03896	2.8
119.03408	4.0
121.02798	0.5
123.00768	0.6
123.04419	3.9
123.08042	0.9
125.02335	12.7
126.02677	0.5
127.03919	0.8
131.03398	6.5
133.02844	2.5
134.03702	0.7
135.02902	0.9
135.04422	3.3
135.06381	0.4
136.01575	3.2
137.02309	0.9
137.09604	1.3
138.06764	14.6
138.82126	0.4
139.07509	0.6
143.03365	2.6
149.04463	10.8
149.09610	0.9
151.03943	3.1
151.07523	0.7
153.09117	38.3
154.09467	1.9
155.10707	0.6
159.02899	1.3
159.04317	0.6
161.02374	7.0
161.04456	12.5
162.02652	0.4
163.03934	0.5
163.11189	0.6
165.12718	0.8
167.07071	0.4
169.01357	0.6
173.04475	1.7
174.03148	0.5
175.03937	1.2
177.01970	0.4
177.05544	0.6
179.03462	2.3
179.05563	1.2
179.07007	0.5
183.99857	0.4
190.99925	0.4
191.05524	6.3
192.11461	0.5
193.05000	0.4
195.02919	1.2
205.04944	0.5
206.02142	0.7
207.03015	0.4
207.13853	4.7
221.04521	1.5
223.06091	0.6
225.14906	41.9
226.15179	2.3
233.06639	12.7
233.08998	0.6
239.05492	0.6
251.07806	0.5
258.87994	0.4
265.07092	0.8
271.02490	0.9
293.08777	10.2
294.09451	0.5
300.02597	0.6
313.23648	0.4
323.07672	5.8
324.07977	0.5
329.10199	0.7
340.17908	0.4
357.09784	1.6
387.20215	13.7
388.20718	1.4
447.09280	1.0
454.69342	0.4
519.24457	100.0
520.24744	15.0
520.56445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07462	0.5
52.47059	0.4
55.01750	1.0
57.03318	1.7
57.44153	0.4
58.00457	1.5
59.01249	45.4
61.98694	2.2
66.48197	0.5
69.03320	0.9
71.01254	26.0
71.51999	0.9
72.01610	0.5
72.99174	1.9
73.02818	4.6
75.00728	1.4
77.33781	0.5
81.03332	1.0
83.01258	2.3
85.02818	6.4
87.00758	1.3
89.02315	28.8
93.03334	1.4
95.01252	2.0
97.02833	1.7
97.19114	0.5
99.00751	2.0
101.02317	14.8
104.25241	0.5
109.02834	0.8
111.00769	0.9
113.02328	6.2
117.01844	0.5
119.03375	1.8
119.04880	0.7
121.02821	0.7
121.10086	0.9
123.00776	0.5
123.04420	1.2
125.02331	9.7
129.01778	0.6
130.03207	0.5
131.03398	14.1
131.04887	0.6
133.02844	2.1
134.03690	0.8
135.02856	0.9
135.04414	1.5
137.02316	1.6
143.03375	1.1
147.04445	0.5
149.02425	1.1
149.04456	11.6
151.00327	0.7
151.03937	0.8
155.10533	0.8
159.02878	0.8
159.04491	0.7
160.01575	1.4
161.02361	6.0
161.04465	1.6
163.03937	1.5
163.07578	2.5
165.01831	1.6
165.09122	100.0
166.09464	5.4
173.02330	1.1
173.04482	0.6
174.03171	2.5
175.00327	1.0
175.03946	5.3
177.01822	0.6
179.10832	0.7
181.08614	1.5
187.03833	0.6
188.15572	0.5
189.01884	1.9
190.02594	0.8
191.05585	6.4
193.01425	0.9
199.04053	0.6
204.56058	0.5
205.05017	1.1
207.10217	0.9
225.15030	0.8
233.06595	1.2
269.17526	0.5
271.02469	3.7
279.06592	0.9
293.08780	11.5
294.09262	0.6
298.98633	1.0
299.01849	5.0
299.99194	1.0
300.02310	1.2
314.04214	4.1
315.04990	3.2
321.07663	10.5
322.08054	1.1
337.09247	0.9
339.14172	0.8
357.26553	3.2
371.24347	5.0
389.26633	0.7
401.25403	0.7
419.00958	0.8
419.27890	0.6
459.18338	4.6
484.23050	0.7
491.05988	0.9
519.05505	1.5
519.11615	1.7
519.17499	3.5
519.32208	15.2
520.32397	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	519.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07462	0.5
52.47059	0.4
55.01750	1.0
57.03318	1.7
57.44153	0.4
58.00457	1.5
59.01249	45.4
61.98694	2.2
66.48197	0.5
69.03320	0.9
71.01254	26.0
71.51999	0.9
72.01610	0.5
72.99174	1.9
73.02818	4.6
75.00728	1.4
77.33781	0.5
81.03332	1.0
83.01258	2.3
85.02818	6.4
87.00758	1.3
89.02315	28.8
93.03334	1.4
95.01252	2.0
97.02833	1.7
97.19114	0.5
99.00751	2.0
101.02317	14.8
104.25241	0.5
109.02834	0.8
111.00769	0.9
113.02328	6.2
117.01844	0.5
119.03375	1.8
119.04880	0.7
121.02821	0.7
121.10086	0.9
123.00776	0.5
123.04420	1.2
125.02331	9.7
129.01778	0.6
130.03207	0.5
131.03398	14.1
131.04887	0.6
133.02844	2.1
134.03690	0.8
135.02856	0.9
135.04414	1.5
137.02316	1.6
143.03375	1.1
147.04445	0.5
149.02425	1.1
149.04456	11.6
151.00327	0.7
151.03937	0.8
155.10533	0.8
159.02878	0.8
159.04491	0.7
160.01575	1.4
161.02361	6.0
161.04465	1.6
163.03937	1.5
163.07578	2.5
165.01831	1.6
165.09122	100.0
166.09464	5.4
173.02330	1.1
173.04482	0.6
174.03171	2.5
175.00327	1.0
175.03946	5.3
177.01822	0.6
179.10832	0.7
181.08614	1.5
187.03833	0.6
188.15572	0.5
189.01884	1.9
190.02594	0.8
191.05585	6.4
193.01425	0.9
199.04053	0.6
204.56058	0.5
205.05017	1.1
207.10217	0.9
225.15030	0.8
233.06595	1.2
269.17526	0.5
271.02469	3.7
279.06592	0.9
293.08780	11.5
294.09262	0.6
298.98633	1.0
299.01849	5.0
299.99194	1.0
300.02310	1.2
314.04214	4.1
315.04990	3.2
321.07663	10.5
322.08054	1.1
337.09247	0.9
339.14172	0.8
357.26553	3.2
371.24347	5.0
389.26633	0.7
401.25403	0.7
419.00958	0.8
419.27890	0.6
459.18338	4.6
484.23050	0.7
491.05988	0.9
519.05505	1.5
519.11615	1.7
519.17499	3.5
519.32208	15.2
520.32397	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	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.2
59.60582	0.4
61.98713	0.7
69.56329	3.1
71.01263	5.3
71.42574	0.4
73.02826	1.1
77.65252	0.4
78.95160	0.5
81.03311	0.4
83.01215	0.7
83.94788	0.4
85.02818	2.7
87.00741	0.6
89.02309	0.9
91.05591	0.4
93.03347	1.1
95.01263	0.5
96.95892	0.5
97.02805	0.5
98.19879	0.6
99.00758	0.8
100.43801	0.4
101.02321	1.9
108.02062	1.5
108.65540	0.4
109.02852	1.4
113.02345	1.2
119.04913	0.8
121.02845	4.8
122.03650	2.9
123.00770	1.1
123.04353	0.5
124.01568	0.6
125.02307	1.1
133.02867	0.7
134.03596	1.4
135.04395	1.7
136.01556	74.4
137.02431	3.2
145.02811	0.5
147.04431	1.1
149.02354	0.5
149.06018	0.8
150.03098	0.5
151.03911	100.0
152.04259	4.3
153.01802	0.7
154.02666	0.8
156.03023	0.5
159.04425	0.8
160.01530	0.6
160.05202	1.2
161.02354	1.2
161.04512	2.4
161.05792	0.6
162.03108	1.3
163.03964	2.1
166.02734	0.7
166.05009	10.8
173.04417	0.5
174.03140	7.2
175.03876	1.4
175.07570	1.4
177.05475	1.1
179.03416	0.9
181.05037	0.8
187.03976	0.8
191.05528	0.5
193.05093	0.6
206.05766	0.5
209.11794	0.5
211.06036	0.6
217.05077	0.8
227.12839	1.6
271.06055	0.6
281.04492	0.4
311.90781	0.4
313.03494	1.4
342.11072	5.4
343.11328	0.8
357.13422	87.5
358.13748	9.3
374.23462	0.4
377.26062	0.4
383.08099	0.8
439.98102	0.4
450.04288	0.5
504.15491	0.4
519.18781	4.8
520.24609	2.8
543.11139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01249	9.3
61.98690	1.6
62.29498	0.4
69.55559	2.9
69.95023	0.4
71.01250	5.3
72.99223	0.4
73.02811	2.0
75.00740	0.9
79.42818	0.4
83.01229	0.7
85.02827	2.8
89.02317	1.7
90.02606	0.4
93.03318	1.5
95.01234	0.5
95.04905	0.4
97.02822	0.4
99.00748	1.0
99.44424	0.3
101.02332	2.7
108.02023	2.1
109.02806	1.3
113.02324	2.9
119.03384	0.6
119.04900	0.5
121.02837	5.2
122.03635	2.9
123.00757	1.0
123.04388	0.9
124.01517	0.7
125.02328	1.5
131.03391	0.5
134.03639	1.6
135.02869	1.4
135.04407	0.8
136.01552	66.8
137.02417	4.2
145.02817	0.6
146.03612	0.4
147.04425	1.5
149.02313	0.7
149.06009	0.6
150.03136	0.5
151.03905	100.0
152.01015	0.6
152.04221	3.8
153.01796	0.5
159.04404	0.8
160.05206	0.9
161.02374	2.1
161.04475	2.5
161.05780	0.5
162.03111	0.8
163.03905	1.7
165.05545	0.5
166.02681	1.2
166.05000	26.9
169.01314	0.5
173.02362	0.5
173.04462	0.7
174.03122	9.2
174.04501	0.8
175.03859	2.2
175.07521	1.2
177.01907	0.8
177.05496	1.2
179.03357	1.1
181.04988	0.8
183.01534	0.4
183.10194	0.6
187.03952	0.7
188.04617	0.5
189.05467	1.1
190.06174	0.4
191.05533	1.3
193.05032	1.2
198.03107	0.7
202.18105	0.4
209.11749	0.7
211.06000	0.8
217.04955	0.8
224.51753	0.4
225.11223	0.5
225.14944	0.4
226.02663	0.9
227.12798	1.9
229.04880	0.9
237.05640	0.5
241.05211	0.5
296.06989	0.6
313.03513	3.3
313.10806	0.7
342.11084	5.5
343.11234	0.6
357.13409	81.4
358.13745	10.3
383.07858	2.3
387.20245	0.9
502.22797	0.7
519.18835	4.6
519.25739	0.6
520.24353	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	519.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.2
59.01259	0.9
69.54523	1.2
71.01265	0.5
75.00729	0.2
79.79337	0.2
81.99062	0.2
85.02818	0.5
89.02309	0.2
93.03327	0.4
95.04910	1.6
113.02323	0.2
121.06466	0.2
130.04140	0.4
131.04913	4.3
132.60205	0.2
133.02893	0.3
137.05981	0.6
145.02873	0.3
147.04431	1.0
155.10687	0.4
157.02856	0.5
158.03551	0.2
159.04468	0.2
165.01906	0.2
173.02330	0.7
174.01520	0.3
174.03139	14.0
175.03918	100.0
176.04256	5.1
181.08621	2.6
187.03967	0.5
199.09685	1.3
200.04750	0.2
217.04987	1.5
218.05199	0.2
223.09769	1.4
223.13310	1.4
229.04970	0.5
253.10760	0.3
294.91501	0.2
390.13733	0.2
519.05463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
57.03315	2.2
59.01248	39.9
61.98682	2.1
69.21543	7.2
71.01254	12.6
73.02816	5.2
75.00729	1.1
81.03326	1.2
83.01250	2.0
83.04906	0.8
83.89826	0.9
85.02820	6.3
87.00745	2.5
89.02316	4.3
89.03840	0.9
93.03335	2.9
93.06951	0.9
95.01247	1.5
95.04890	2.4
96.95880	1.2
97.02818	1.4
99.00741	0.9
99.04403	1.3
101.02325	5.9
102.98482	2.9
107.04895	3.3
108.02050	4.1
109.02825	12.9
109.06437	5.1
110.03130	0.9
110.33596	0.8
113.02312	4.6
117.03329	1.4
119.03432	1.7
119.04916	7.6
120.99551	1.3
121.02835	11.6
122.03658	1.9
123.04377	1.5
125.02334	2.8
131.03384	1.0
132.02080	9.7
133.02847	4.3
134.03627	12.1
135.04425	11.7
136.04810	0.9
137.02341	1.9
137.05977	41.4
138.06268	1.1
145.02847	2.6
149.02306	1.0
149.05960	3.4
151.03908	4.7
151.04900	0.9
152.01062	4.1
153.01778	1.6
160.01559	49.3
161.02357	9.9
161.04456	2.2
161.09526	0.9
163.03880	1.6
164.59984	0.7
165.05501	0.7
165.09077	1.4
166.05084	0.7
166.06233	4.6
173.02296	2.1
174.03119	2.8
175.03918	79.8
176.04257	6.4
177.01891	1.2
178.02553	2.1
179.03389	2.6
180.04144	3.3
181.04974	100.0
181.08493	2.3
182.05354	4.2
190.02635	2.7
191.03444	0.8
191.05495	1.2
191.27213	0.7
193.04973	13.5
195.06575	5.9
196.07227	0.9
205.05038	1.5
207.13849	4.8
209.11737	2.6
230.03081	0.8
240.04131	1.0
241.04872	1.3
265.07135	0.9
267.10883	2.9
269.17438	1.3
271.09674	1.4
293.08838	0.9
313.10852	1.1
323.07675	1.7
325.09106	1.7
337.09265	59.8
338.09674	5.8
343.10294	30.3
344.10632	2.7
357.12421	2.4
359.25888	2.4
371.24469	2.4
373.23376	0.8
389.27130	2.2
391.65454	0.8
397.27322	1.6
415.28662	1.0
419.28040	7.5
425.30963	1.3
427.28812	1.1
441.30338	1.0
453.29727	1.1
471.30838	1.5
473.29172	3.0
475.16022	1.6
489.32166	2.1
501.31970	1.1
519.15363	17.1
519.24487	21.9
519.33112	25.0
520.15515	2.4
520.24902	2.1
520.33221	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	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04152	0.8
59.00962	1.0
59.01250	16.3
65.58579	0.8
70.67004	1.9
70.67319	0.9
71.01248	14.4
72.99194	1.0
73.02805	2.7
83.01256	1.0
85.02817	3.4
87.00739	2.1
89.02309	10.4
91.01758	1.7
93.03330	1.6
94.34579	0.8
95.01237	0.9
101.02318	8.4
113.02325	4.5
117.01862	1.1
119.01270	4.7
119.03387	2.2
121.02811	6.3
125.02295	1.6
131.03391	1.5
134.03619	1.5
135.04399	2.7
137.02362	0.9
147.00781	4.8
147.04382	3.8
149.02336	34.5
150.02835	1.1
151.06027	6.5
152.00937	0.8
161.02267	0.9
163.03899	3.5
164.04688	34.7
165.01826	2.0
165.04999	1.2
166.02580	1.2
173.02386	1.1
173.04379	1.4
175.00269	40.4
176.00722	2.4
177.01790	1.7
177.05557	1.0
179.03394	1.1
179.05620	0.8
179.07004	4.0
189.01878	1.3
190.02628	100.0
191.03194	7.3
191.04897	0.7
193.01361	1.4
193.04887	1.3
195.70393	0.9
203.06931	1.1
205.04993	84.6
206.05614	10.3
207.02890	2.8
208.03650	2.8
208.66116	0.9
209.04483	2.3
221.08107	9.2
223.06052	58.8
224.06354	2.1
235.02463	1.5
237.07631	2.8
238.07953	0.9
250.04756	3.3
265.04391	1.5
265.07153	26.8
266.07419	2.3
295.08072	2.8
325.09262	5.6
346.61795	0.9
367.10437	1.8
385.11234	1.2
392.65399	0.9
519.17084	85.8
520.17371	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	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
57.03315	2.2
59.01248	39.9
61.98682	2.1
69.21543	7.2
71.01254	12.6
73.02816	5.2
75.00729	1.1
81.03326	1.2
83.01250	2.0
83.04906	0.8
83.89826	0.9
85.02820	6.3
87.00745	2.5
89.02316	4.3
89.03840	0.9
93.03335	2.9
93.06951	0.9
95.01247	1.5
95.04890	2.4
96.95880	1.2
97.02818	1.4
99.00741	0.9
99.04403	1.3
101.02325	5.9
102.98482	2.9
107.04895	3.3
108.02050	4.1
109.02825	12.9
109.06437	5.1
110.03130	0.9
110.33596	0.8
113.02312	4.6
117.03329	1.4
119.03432	1.7
119.04916	7.6
120.99551	1.3
121.02835	11.6
122.03658	1.9
123.04377	1.5
125.02334	2.8
131.03384	1.0
132.02080	9.7
133.02847	4.3
134.03627	12.1
135.04425	11.7
136.04810	0.9
137.02341	1.9
137.05977	41.4
138.06268	1.1
145.02847	2.6
149.02306	1.0
149.05960	3.4
151.03908	4.7
151.04900	0.9
152.01062	4.1
153.01778	1.6
160.01559	49.3
161.02357	9.9
161.04456	2.2
161.09526	0.9
163.03880	1.6
164.59984	0.7
165.05501	0.7
165.09077	1.4
166.05084	0.7
166.06233	4.6
173.02296	2.1
174.03119	2.8
175.03918	79.8
176.04257	6.4
177.01891	1.2
178.02553	2.1
179.03389	2.6
180.04144	3.3
181.04974	100.0
181.08493	2.3
182.05354	4.2
190.02635	2.7
191.03444	0.8
191.05495	1.2
191.27213	0.7
193.04973	13.5
195.06575	5.9
196.07227	0.9
205.05038	1.5
207.13849	4.8
209.11737	2.6
230.03081	0.8
240.04131	1.0
241.04872	1.3
265.07135	0.9
267.10883	2.9
269.17438	1.3
271.09674	1.4
293.08838	0.9
313.10852	1.1
323.07675	1.7
325.09106	1.7
337.09265	59.8
338.09674	5.8
343.10294	30.3
344.10632	2.7
357.12421	2.4
359.25888	2.4
371.24469	2.4
373.23376	0.8
389.27130	2.2
391.65454	0.8
397.27322	1.6
415.28662	1.0
419.28040	7.5
425.30963	1.3
427.28812	1.1
441.30338	1.0
453.29727	1.1
471.30838	1.5
473.29172	3.0
475.16022	1.6
489.32166	2.1
501.31970	1.1
519.15363	17.1
519.24487	21.9
519.33112	25.0
520.15515	2.4
520.24902	2.1
520.33221	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	519.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90161	0.9
55.01749	1.4
57.03323	2.1
58.00454	1.0
59.01249	16.9
61.98696	5.7
65.00201	1.1
69.03329	1.4
71.01252	13.0
71.51572	1.7
72.99190	2.5
73.02827	4.9
74.98962	1.7
75.00748	2.0
83.01293	2.2
85.02824	8.9
87.00722	4.3
87.04365	1.2
89.02310	5.6
91.01791	2.1
93.03336	4.2
94.28550	1.0
95.01279	2.2
99.00756	3.0
101.02309	7.4
102.98483	4.8
106.04125	1.1
107.01238	1.0
107.04906	30.7
107.05636	1.5
108.02045	2.2
109.02866	2.9
111.00745	1.1
113.02344	8.2
117.03357	5.2
118.97928	1.3
119.01278	6.5
119.04912	4.8
120.99559	1.5
121.02825	8.7
123.00766	1.3
123.04398	4.9
124.01547	1.7
125.02323	2.8
131.03416	3.0
131.18352	0.9
132.02025	1.8
133.02838	4.6
134.03610	3.3
135.04420	7.9
136.01566	9.1
136.29425	1.1
136.46782	0.9
136.99040	1.0
137.02319	6.3
145.02840	13.1
146.03197	0.9
147.00807	4.9
147.04445	2.2
149.02344	28.4
149.05980	1.4
150.03082	3.0
151.00294	2.7
151.03897	11.9
152.01028	1.9
152.04350	0.9
153.05472	2.5
160.01622	5.9
161.02354	11.4
161.04460	3.5
163.02728	1.0
163.03909	7.0
164.04698	17.4
165.01836	2.9
165.05438	3.6
167.03511	0.9
173.04489	1.5
174.03120	1.4
175.00285	41.5
175.03879	10.2
176.01006	10.2
177.01788	1.8
178.99913	1.8
179.03413	3.0
179.07021	3.2
180.03874	1.0
181.04991	3.9
183.10234	1.7
187.03914	1.9
189.01855	1.7
190.02634	85.3
191.03348	13.1
191.05272	1.8
193.01334	1.8
193.05006	1.6
194.02046	1.1
196.07295	1.2
203.07339	0.9
205.04993	100.0
206.05365	4.8
208.03699	2.4
209.04489	3.3
211.04074	1.3
213.05554	1.9
215.03415	1.3
223.03867	1.5
223.06055	26.6
224.06355	1.1
225.05534	2.2
232.29372	1.0
240.04242	1.5
240.07922	1.4
241.05023	18.8
247.06067	1.1
249.06158	1.2
255.03194	2.1
255.06641	1.5
256.07327	8.7
257.04367	1.1
267.07224	1.6
271.02603	1.8
271.09766	11.8
272.09979	1.1
274.53262	1.2
295.02353	1.9
298.08307	1.4
300.02432	2.0
301.03485	8.7
302.03931	1.2
307.08362	4.6
313.03409	1.7
313.10822	11.5
321.53262	1.0
324.02802	1.4
325.03354	2.1
325.10846	2.0
337.09354	1.4
339.01566	1.7
353.08804	5.2
357.13400	19.7
358.13812	1.5
367.10336	29.4
368.10678	3.1
371.24420	1.7
445.11124	1.1
449.32187	1.2
459.05469	2.4
460.13745	3.9
475.16077	55.2
476.16336	8.6
486.08115	1.3
487.12494	9.1
488.12991	1.2
519.07758	4.9
519.15070	18.8
519.24335	7.0
520.15314	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	518.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96373	0.3
55.01760	0.6
57.03331	1.0
58.00460	0.8
59.01248	11.7
61.98701	2.7
63.94456	0.3
69.03300	0.5
70.53289	1.2
71.01249	9.1
72.99176	8.8
73.02807	2.5
73.99502	0.3
75.00751	0.6
83.01263	1.8
85.02818	3.9
86.03178	0.4
87.00770	1.2
87.04404	1.0
89.02313	3.5
91.18623	0.3
95.01286	1.1
97.02817	0.7
99.00764	0.9
101.02317	6.6
108.02076	0.5
109.02883	0.5
113.02319	3.2
116.04923	2.5
117.03403	0.4
119.03429	0.9
121.02858	1.5
123.04412	0.4
125.02327	0.8
128.04996	0.6
129.03267	0.3
130.04128	0.4
130.06528	1.2
131.03435	0.4
131.04924	2.6
132.05280	1.2
135.04390	2.5
135.08060	0.4
136.01530	0.9
137.02325	0.5
142.06541	1.9
144.04494	0.4
145.02875	1.5
146.05995	0.4
147.04445	0.9
149.05936	0.6
150.03156	0.3
151.03932	1.4
152.00966	0.4
152.85150	0.4
153.09134	2.1
154.09462	1.1
156.04482	1.1
156.08130	0.4
157.05228	11.9
158.06026	8.5
159.04352	0.5
159.06429	0.4
161.02362	0.5
161.04477	0.7
168.08128	0.6
172.03935	0.4
174.03128	8.0
175.03914	56.8
176.04256	31.2
177.04483	1.2
179.03371	0.6
185.03185	0.3
185.04738	6.2
186.05499	2.6
187.03967	0.5
190.02731	0.4
191.05582	0.4
197.08081	1.7
198.08490	1.3
204.06543	3.4
206.09418	2.1
212.07117	2.0
221.11798	1.0
230.08179	1.6
239.09233	0.8
240.09648	0.4
252.16597	0.5
253.18097	0.9
270.98926	0.5
299.11322	1.2
299.99060	1.4
300.11850	0.7
300.99985	0.7
338.17691	0.7
340.19171	2.4
342.12613	0.6
355.24689	0.8
356.18719	3.9
356.25235	0.6
357.13266	0.9
357.17093	4.9
357.26501	0.9
359.13541	0.6
360.13675	0.8
402.08707	0.4
429.72479	0.3
487.03131	0.8
518.23907	100.0
519.05750	1.6
519.24316	14.8
519.31689	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	517.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93187	0.3
55.01754	0.8
57.03312	1.5
58.00455	0.8
59.01248	17.9
60.01569	0.3
61.98696	2.0
64.01141	0.3
71.01249	12.6
71.04881	0.8
71.51704	0.4
71.60096	0.3
72.99172	1.5
73.02826	2.1
75.00719	0.7
82.27264	0.3
83.01254	1.6
83.04863	0.4
85.02816	4.2
85.90302	0.3
87.00755	1.1
87.04369	0.4
89.01311	0.3
89.02316	5.4
95.01244	0.9
97.06477	1.0
99.00729	0.6
101.01703	0.6
101.02322	6.1
111.00760	0.4
113.02330	3.2
119.03370	1.8
121.02788	0.5
125.02345	0.5
139.00294	0.4
139.11197	0.6
147.04451	0.4
153.12715	0.5
161.04445	0.8
174.03198	0.8
175.03864	1.1
180.40756	0.3
227.16457	2.1
237.14815	1.1
239.16608	0.5
264.07748	0.5
265.18005	0.9
295.22644	0.9
297.07339	0.4
307.22607	0.7
317.03271	0.4
319.22791	0.6
325.23724	4.5
327.16037	0.5
330.54163	0.4
337.23773	5.7
338.24261	0.7
355.24884	15.2
356.25204	1.6
373.25833	1.0
455.31937	0.4
471.30988	2.5
473.32684	0.7
499.29272	1.0
517.00378	0.9
517.30261	100.0
518.30652	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	517.3169
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
59.01250	6.0
61.98686	2.1
71.01243	1.5
73.02798	0.8
78.95786	0.9
89.02303	0.8
101.02328	0.7
119.08455	0.5
121.02796	0.6
125.00627	0.5
175.11336	0.6
205.15891	1.8
257.19095	0.7
267.85242	0.6
275.20190	0.8
319.22668	1.1
326.62762	0.6
328.15561	0.5
360.30246	0.6
372.08823	0.6
397.31146	0.8
398.31458	0.7
399.32623	0.7
407.29660	2.0
409.27374	4.7
410.27951	0.8
411.32745	1.0
423.29034	16.9
424.29288	2.5
425.30542	10.5
426.31085	1.6
429.33768	0.6
432.38132	0.6
439.28110	1.0
443.31638	9.8
444.32053	1.2
455.31720	6.7
456.32651	0.8
457.29495	2.4
469.29755	1.8
473.32813	2.3
485.32834	1.4
487.30643	25.7
488.31229	3.9
489.32401	0.7
499.30267	0.9
517.31671	100.0
518.32056	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	517.2444
Annotation	Chlorodesmin
Peak:m/z	Relative Intensity
51.70408	0.1
53.78625	0.2
55.01767	0.4
57.03318	0.4
57.71131	0.2
58.69181	0.1
59.01244	2.0
61.98696	0.4
69.19931	0.8
69.20354	1.0
70.02904	0.1
71.01252	1.7
73.02827	0.8
73.62698	0.1
83.01268	0.2
85.02814	1.2
87.00760	0.2
89.02329	0.6
89.03832	0.2
93.03353	0.2
96.19896	0.2
99.00767	0.3
101.02317	1.4
113.02336	0.7
114.64471	0.2
117.03347	26.4
118.03693	0.9
119.04913	5.8
119.05751	0.4
120.99562	0.2
121.02863	0.4
125.02345	0.2
145.02852	100.0
146.03178	4.5
153.09088	0.2
161.04489	0.2
163.03908	7.2
174.03151	0.7
175.03918	5.2
176.04283	0.4
197.08163	0.2
209.15359	0.5
242.43779	0.2
251.16429	0.2
267.51239	0.2
299.99136	0.2
355.25113	0.2
369.22699	0.2
373.26074	0.3
502.56104	0.2
517.24359	58.6
518.24683	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.4
57.03298	0.9
58.00453	0.5
59.01247	9.7
59.28950	0.4
61.98407	0.4
61.98692	2.4
71.01248	5.9
71.04870	0.6
71.51193	0.7
73.02814	1.6
83.01251	0.6
85.02807	2.5
87.00742	0.9
89.02296	1.9
94.28750	0.4
99.00758	0.7
101.02315	4.1
113.02336	2.2
117.03342	25.3
118.03663	0.5
119.03419	0.7
119.04907	7.4
120.05306	0.5
121.02825	1.0
124.01573	0.7
125.02341	3.1
133.80621	0.4
135.04344	0.5
137.09547	0.5
139.11201	0.5
145.02849	100.0
146.03218	4.0
147.04332	0.7
151.03928	0.8
161.02373	0.9
161.04417	0.9
163.03932	7.2
164.04262	0.5
167.03406	0.5
175.03900	3.7
176.04381	0.4
177.02153	0.5
189.01852	3.3
190.02408	0.5
227.16611	0.6
228.04210	0.8
251.16537	1.0
295.22830	0.5
299.99051	0.6
325.23831	3.6
337.23938	1.2
339.25336	1.5
355.11710	2.0
355.24902	8.5
356.25256	0.8
369.22650	0.5
373.25885	1.2
418.50940	0.5
455.31616	0.7
473.12967	0.5
473.32892	0.7
517.12402	1.2
517.24390	47.0
517.30676	26.9
518.24139	6.9
518.31421	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.8
57.03325	1.6
58.00451	2.2
59.01251	100.0
60.28465	0.8
61.98701	1.7
63.78205	0.8
66.94268	0.8
69.03320	4.4
71.01254	72.1
71.51240	1.2
71.51629	1.0
72.99179	3.9
73.02817	6.4
75.00730	1.6
81.03320	2.6
83.01251	4.2
85.02827	11.1
87.00748	2.1
89.02316	71.8
93.03330	1.9
95.01226	2.2
97.02835	7.3
99.00733	3.0
101.01711	1.4
101.02331	17.8
101.02995	1.1
107.01247	0.8
108.02077	1.5
109.02818	2.9
111.00778	1.3
113.02335	14.2
119.03369	2.3
120.99552	1.0
123.00762	1.4
125.02340	32.6
131.03400	15.6
132.02007	1.2
133.02856	9.7
134.03589	2.3
135.04440	5.1
137.02283	1.4
141.09090	0.9
143.03412	4.6
145.02853	1.3
147.04376	1.4
148.05205	34.4
149.03337	1.2
149.04456	14.0
149.05960	34.9
150.06371	1.3
151.07559	0.8
155.51158	0.9
160.01552	5.0
161.02345	29.2
161.04393	5.8
162.02698	2.2
163.07549	14.1
164.07809	0.9
165.05426	3.5
169.01334	1.2
173.04489	1.1
175.03914	7.3
179.03401	3.0
187.11258	1.1
190.02522	1.0
191.05516	2.1
193.05017	14.2
209.04459	3.7
221.04424	1.2
233.06607	3.8
293.08777	25.5
294.09143	1.6
307.08304	1.0
323.07690	2.3
355.06143	1.7
355.10294	16.6
356.10944	2.0
499.22357	1.2
517.12750	8.4
517.22650	2.9
517.29633	1.4
518.13763	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	517.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24345	0.3
55.01750	0.5
57.03328	0.4
58.00488	0.4
59.01250	11.2
61.98701	0.6
69.17727	1.4
69.18157	2.5
71.01250	7.1
72.99170	0.8
73.02813	1.2
82.99780	0.3
83.01257	0.5
85.02808	1.9
87.00748	0.8
89.02306	2.9
89.03851	0.5
95.01222	0.6
98.19827	0.6
99.00792	0.5
101.02300	3.3
104.02561	0.4
105.03325	0.5
105.12617	0.4
113.02299	2.0
117.03335	2.0
119.03392	0.9
119.04956	0.5
120.99475	0.4
121.02842	0.5
127.03909	0.4
131.04944	0.7
132.02068	20.2
132.71494	0.4
133.02904	3.2
133.06512	0.4
134.03629	25.6
135.04491	1.8
136.01543	0.5
137.02351	1.1
143.04918	0.7
147.04422	1.4
148.05156	0.5
149.02408	0.5
149.05998	3.7
150.03107	0.4
151.03899	0.4
158.03680	0.5
160.01567	91.3
161.02003	4.6
161.04457	0.8
161.05879	0.6
163.07555	1.3
165.05463	1.6
173.05984	0.7
174.03148	0.6
175.03920	100.0
176.04347	5.9
177.01808	0.9
177.05443	0.6
178.02635	1.2
179.03343	1.1
179.07085	0.4
189.09247	0.4
191.07050	3.9
192.07475	0.5
193.04985	38.7
194.05338	2.0
199.37076	0.4
205.04979	0.7
207.06601	1.7
235.06078	15.5
236.06355	0.9
256.86938	0.3
265.07135	3.2
295.08252	4.3
323.07852	0.8
337.09296	1.4
355.11191	0.6
502.14749	0.7
517.17126	63.0
518.17487	10.8
518.24780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.2
57.03313	0.3
59.01254	3.9
61.98699	0.9
62.81256	0.2
71.01257	2.7
71.04882	0.3
72.99186	0.7
73.02803	1.2
75.00757	0.2
83.01266	0.3
83.04895	0.3
83.62166	0.2
85.02822	1.3
87.00737	0.6
87.04380	1.1
89.02317	1.0
89.75158	0.2
93.94823	0.1
95.01256	0.2
97.02834	1.0
99.00729	0.1
101.02312	1.5
105.90296	0.2
109.06471	0.2
111.00780	0.2
113.02319	0.9
116.04961	0.2
119.03381	0.3
119.04908	0.3
121.02844	0.6
121.43953	0.1
122.03647	0.2
123.04424	0.3
125.02358	0.5
130.04140	0.5
131.03407	0.2
131.04916	4.4
132.05270	0.3
133.02863	0.2
133.10085	0.2
135.04486	0.2
135.08037	0.7
139.03902	0.2
139.11162	0.2
143.03339	0.2
145.02840	0.4
146.74557	0.2
147.04404	1.3
153.09122	3.5
154.09447	0.2
157.02820	0.6
157.05249	0.5
158.03651	0.4
158.05998	0.6
159.04440	0.3
161.02367	0.3
161.04449	0.6
161.05925	0.3
165.01794	0.3
167.10690	0.2
173.02333	0.6
174.03148	12.2
175.03926	100.0
176.04269	5.3
177.09106	0.4
179.07086	0.3
185.04726	0.3
187.03909	0.7
189.01906	0.5
189.05560	0.2
191.05556	0.2
195.10194	0.4
197.06323	0.2
197.08127	3.8
198.08507	0.3
201.05449	0.2
203.07057	0.5
209.08122	0.2
217.05005	0.4
219.10179	0.3
221.08096	0.8
229.05055	0.3
229.53757	0.2
239.09181	1.4
246.04294	0.3
251.16502	0.7
263.09174	0.9
269.10324	1.1
281.10483	0.2
283.10330	0.4
299.11313	2.3
299.27185	0.2
299.99350	0.2
300.11932	0.2
303.84317	0.2
322.04575	0.2
337.24036	0.3
340.19092	0.2
341.12454	1.5
353.13913	0.2
355.15326	0.2
355.24893	1.2
356.18500	0.3
359.13464	1.7
360.13754	0.2
369.06049	0.2
369.22711	0.2
373.26004	0.7
387.22177	0.3
401.08777	0.3
417.24945	0.2
473.10895	0.7
473.31647	0.2
517.09875	0.6
517.17114	0.3
517.31323	3.0
518.23932	6.4
518.30066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38873	0.3
57.03300	0.4
59.01248	8.5
61.98704	2.0
69.03315	0.3
69.25029	0.9
69.25453	1.9
71.01250	3.6
71.04882	2.3
72.99166	0.9
73.02818	1.5
73.40907	0.3
75.65219	0.2
83.01260	0.4
83.04914	0.4
85.02821	1.5
87.00732	0.6
87.04406	0.3
89.02316	2.5
89.06849	0.2
91.68565	0.3
91.92738	0.3
93.03330	0.4
96.95869	0.3
97.02849	0.4
98.19783	0.6
99.00724	0.5
101.02306	2.7
103.86852	0.3
108.02096	0.4
109.02829	0.3
109.06441	0.6
111.04450	0.3
113.02289	1.3
117.03335	1.8
119.03379	0.7
119.04898	0.6
121.04940	0.5
123.08074	0.4
125.02332	1.0
131.04843	0.5
133.02899	0.4
135.04391	0.5
137.02379	0.4
139.11160	1.2
143.03444	0.3
145.02841	1.0
147.04359	0.4
153.05432	0.3
155.06975	0.3
160.01559	2.3
161.02348	16.9
161.04495	0.8
162.02713	0.7
163.03918	1.5
165.17381	0.3
173.02324	1.6
174.03139	2.2
175.03912	8.6
176.04271	0.6
183.10182	0.8
188.01083	3.5
189.01852	100.0
190.02461	8.6
191.03453	0.8
191.05492	0.3
200.01033	0.8
201.01892	0.7
202.02716	0.3
203.03412	1.7
207.03003	0.4
224.12891	0.6
225.14789	0.4
227.12727	0.6
231.02917	1.8
251.12773	0.4
251.13741	0.4
251.16460	5.3
252.16788	0.3
269.17599	0.4
283.10315	2.0
355.25113	1.4
369.22540	0.9
373.25995	0.8
457.28113	0.8
517.17151	3.3
517.26855	1.6
517.30872	2.9
518.17853	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	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	23.8
61.98688	1.8
67.01752	1.1
69.03320	8.4
69.90316	4.2
71.01254	19.0
72.99146	1.9
73.02800	3.2
75.00716	2.3
83.01238	1.5
85.02823	4.9
86.77788	0.9
87.00725	2.8
87.04397	1.7
89.02305	14.9
93.03312	1.7
95.01250	1.2
96.95879	7.8
99.00734	2.1
101.02311	12.1
107.04858	2.0
109.02821	2.4
111.00766	1.3
113.02326	8.7
119.03350	4.3
119.04870	1.5
121.02802	3.4
123.00749	1.8
123.04394	1.2
125.02291	4.6
129.01804	2.1
129.05415	1.5
131.03372	1.6
134.03650	4.8
135.02771	1.0
135.04434	8.8
137.02280	1.2
143.03426	1.1
147.04375	2.7
147.40724	1.0
149.02350	39.8
149.04205	1.9
149.05943	3.1
150.02974	2.7
151.00244	2.5
151.03931	1.3
152.00980	2.5
153.05412	2.2
160.01596	1.1
161.02203	1.4
161.04436	2.0
162.03127	1.6
163.03925	16.5
164.04703	40.7
165.01848	1.0
165.05461	7.7
166.02583	2.5
169.01265	3.5
173.02271	4.2
175.00250	3.9
175.03891	2.1
176.00954	1.3
176.04639	1.5
177.01752	2.4
177.05479	7.0
178.02650	1.4
178.06265	3.0
179.03368	3.0
179.05618	1.3
179.07021	9.4
181.04961	2.4
183.06464	1.1
188.04657	4.4
189.01825	1.5
190.00978	1.4
190.02631	18.3
191.03424	20.6
191.05293	1.2
191.07016	1.6
192.04070	1.4
193.01273	3.7
193.04927	4.1
193.08609	1.8
194.05693	1.5
203.06964	4.1
204.04190	4.6
205.05002	23.6
206.05780	37.5
207.01343	1.0
207.02968	13.1
207.06221	3.8
208.03731	10.1
211.02209	1.1
219.06583	4.6
219.08464	1.1
221.08142	43.3
222.05238	4.8
222.08395	2.0
223.06062	67.5
224.06342	4.5
235.02374	3.8
235.06006	1.4
237.07648	18.8
247.05959	1.7
250.04805	15.6
251.05434	1.4
265.07150	100.0
266.07452	5.4
295.08240	15.2
297.11798	3.7
300.99722	1.4
311.09851	47.5
311.13403	2.5
312.09970	1.1
315.01270	1.1
325.09235	17.5
326.09467	1.8
353.11209	3.0
385.11267	1.8
485.12607	4.5
499.14304	1.6
517.15460	55.5
518.16174	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.8
59.01253	20.4
67.01769	3.1
69.03316	5.7
71.01255	45.0
71.49813	5.0
72.99171	47.4
73.02821	35.4
75.00777	3.7
78.55299	3.3
83.01279	4.0
85.02831	54.8
87.00761	10.9
89.02316	11.3
92.93481	2.9
95.01263	8.0
96.95885	10.8
99.00761	14.9
101.02321	24.7
111.00700	3.1
113.02329	100.0
114.02663	3.4
114.55327	3.2
115.00262	8.4
119.03362	4.7
126.40054	2.7
129.01819	20.8
131.03403	42.9
146.96828	2.8
152.18060	2.9
152.73042	2.8
157.01334	19.6
158.59274	3.0
161.04552	4.3
175.02399	94.9
176.02719	4.5
179.05647	3.6
229.27232	3.3
230.60721	3.0
293.08710	4.6
337.07782	3.4
517.14044	36.6
518.14020	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99367	0.2
57.03323	0.3
59.01248	3.9
61.98701	0.6
64.41197	0.2
70.89393	0.6
71.01249	2.0
73.02805	0.4
75.00727	0.3
78.95789	0.2
83.01248	0.2
85.02836	0.4
87.00746	0.5
89.02326	0.7
89.03793	0.3
91.05384	0.3
93.03339	0.6
95.01292	0.2
96.95885	1.0
99.00787	0.3
101.02310	1.2
107.04897	1.1
109.02853	0.7
111.00796	0.3
113.02303	0.5
116.45762	0.2
117.03358	0.7
119.03387	0.2
121.02862	0.3
122.51569	0.2
123.04402	0.6
125.02341	0.8
132.02078	1.0
133.02849	3.0
134.03633	8.6
135.04410	100.0
136.04749	4.3
136.05757	0.4
136.33003	0.2
137.02327	0.8
145.02826	0.2
147.04414	0.3
148.05176	0.2
149.02290	0.6
149.05989	8.3
149.07205	0.4
149.09441	0.3
150.03137	0.3
150.06348	0.7
151.03882	0.2
153.05521	0.5
155.84853	0.2
159.04378	0.3
160.01573	4.5
161.02350	8.2
161.04488	0.4
161.09508	0.3
162.02690	0.5
163.03839	0.3
163.07582	0.2
169.01303	0.4
174.03119	0.4
175.03915	7.4
176.04288	0.4
177.01854	0.3
177.05516	0.3
178.02618	1.1
179.03413	76.0
180.03769	3.6
183.10243	0.3
189.01793	0.3
189.05394	0.3
189.09109	0.4
191.05521	0.4
193.04980	6.7
194.05345	0.5
202.02669	0.2
204.30280	0.2
205.05061	0.3
211.03973	0.9
221.04504	0.3
227.03473	0.3
239.03554	0.8
265.01465	0.4
267.02875	1.0
297.09741	1.0
301.00040	0.3
311.01974	0.5
323.07697	1.5
337.09250	16.6
338.09686	1.4
340.09592	0.3
341.08716	4.5
342.09265	0.4
355.10330	4.2
356.10736	0.4
407.08044	0.3
473.14716	3.4
474.14792	0.3
517.13507	4.2
517.22736	1.7
518.06726	0.3
518.13757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0986
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
51.22515	0.7
57.03301	0.8
59.01249	5.9
61.98685	0.8
65.00174	0.8
69.25692	1.9
69.26099	4.2
71.01263	6.2
72.99162	1.0
73.02792	0.8
83.01254	1.1
85.02818	1.8
87.00755	1.1
89.02306	2.6
95.01252	1.8
96.95866	0.8
97.02834	1.1
101.02303	1.8
101.03841	0.8
107.01259	4.9
109.02856	0.7
111.00749	3.3
113.02312	2.6
115.71492	0.7
119.04897	1.9
123.00751	7.6
124.01538	1.7
125.02335	33.2
127.00232	2.0
134.03513	0.7
135.04401	1.6
136.98677	1.5
137.02309	0.7
139.00252	4.2
140.01050	4.8
141.01802	1.4
145.02838	3.3
147.04440	5.4
148.05157	1.5
151.00255	7.8
151.03841	0.9
154.99690	0.8
157.02797	2.4
158.03636	26.0
159.04425	14.5
161.02324	2.9
163.03879	0.9
168.00554	10.1
169.01337	67.8
170.01680	2.4
171.04453	2.0
173.02324	1.7
173.05984	1.1
175.03893	2.9
178.02541	0.9
179.03413	1.3
185.05942	1.7
190.05014	1.0
193.05031	1.7
193.98485	9.9
194.99219	4.3
201.05475	2.5
202.02652	51.1
203.03093	3.2
211.02412	7.6
213.05450	4.5
227.03355	1.1
241.03471	3.6
253.03532	0.8
271.04578	4.6
276.82724	0.8
297.06055	4.3
301.05646	1.3
313.05667	15.9
365.08652	2.6
372.58844	0.9
385.16922	0.8
473.10864	100.0
474.11252	12.6
499.08823	1.9
517.09729	48.5
518.10126	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26718	0.1
57.03321	0.2
59.01244	2.9
60.23310	0.1
60.59052	0.1
61.98700	1.6
69.17136	1.5
70.23786	0.1
71.01251	1.6
72.99181	0.3
73.02820	0.4
83.01259	0.2
83.04951	0.1
84.34791	0.1
85.02832	0.4
87.00731	0.3
89.02322	0.6
93.03336	0.2
99.00743	0.2
100.52071	0.1
101.02324	1.2
102.92208	0.1
104.87598	0.1
105.53843	0.1
108.02103	0.1
109.02815	0.4
109.64604	0.2
113.02320	0.7
117.03362	0.2
119.03366	0.2
119.04865	0.2
121.02840	0.9
123.00757	0.4
125.02256	0.3
130.04144	0.5
131.03418	0.2
131.04918	4.9
132.05293	0.3
133.02783	0.2
134.03632	0.3
135.04410	0.6
137.02341	0.9
138.03139	0.3
139.00256	0.2
139.03860	0.5
145.02846	0.4
147.04391	1.1
149.02339	0.4
153.01817	0.3
153.05449	0.8
155.03386	0.2
157.02831	0.4
158.03581	0.4
159.04411	0.3
161.02354	0.4
161.04469	0.4
163.03899	0.5
164.04761	0.3
166.99792	0.3
173.02309	1.0
174.01581	0.4
174.03136	16.6
175.03911	100.0
176.04260	5.5
178.76372	0.1
179.03479	0.3
181.01328	1.3
182.02106	0.9
183.10150	0.2
187.03897	0.2
189.01871	0.3
193.05019	0.2
196.03676	0.7
197.04475	3.3
200.04616	0.2
201.05338	0.2
205.04877	0.3
211.05980	0.9
217.05017	0.6
221.08177	0.2
223.06058	0.4
224.03192	0.8
229.05014	0.4
237.07657	0.3
237.94997	0.2
239.05560	5.1
240.05794	0.3
251.16435	0.2
265.07144	0.8
267.15952	0.3
269.06656	1.3
273.61679	0.1
295.08249	0.3
299.07724	2.1
299.99036	0.2
300.99619	0.2
302.22327	0.1
325.09183	0.2
325.16544	0.2
341.08893	1.0
355.25012	0.2
359.10373	0.2
373.25967	0.7
415.23898	0.2
425.74551	0.1
517.14545	0.2
517.30548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01251	4.5
59.45081	0.5
61.98707	0.6
63.02246	2.8
64.36346	0.7
65.00199	4.9
65.99717	0.9
69.90618	2.4
69.91032	1.4
71.01252	4.0
72.99182	1.5
79.95592	3.3
83.01255	4.8
85.02814	2.4
87.00743	1.3
89.02287	1.3
95.01254	0.8
95.95117	3.9
96.95890	23.4
98.02364	0.8
99.00729	1.0
101.02330	1.0
103.00210	0.9
105.74013	0.6
107.01268	7.8
108.02073	0.7
109.02876	1.5
110.02354	1.4
111.37304	0.5
113.02322	2.9
121.02852	2.3
122.97424	0.8
124.01572	0.6
125.02352	3.8
132.04468	1.1
133.02831	2.1
134.02364	1.5
135.04416	1.7
148.01544	1.0
148.03998	1.1
151.00270	28.0
152.00687	1.1
160.03960	7.2
161.02327	7.7
163.00264	4.8
169.01334	4.0
170.02383	1.2
175.02475	1.1
175.03917	4.1
177.01852	1.0
178.99785	13.7
180.00130	1.0
181.04936	5.1
185.02438	0.7
185.06035	1.6
186.01839	1.2
187.00296	2.7
187.02602	1.7
188.03381	3.9
190.01294	0.8
193.01344	2.0
193.03397	1.7
196.07297	4.3
197.06055	0.8
199.03894	1.7
201.05586	1.7
205.01389	0.7
205.04909	0.7
211.03896	1.8
211.09715	1.7
212.90253	0.7
213.05501	1.9
214.01387	4.3
214.03313	1.2
215.03418	0.8
217.04892	0.8
218.00810	0.9
223.04088	1.2
226.02721	1.0
227.03458	2.5
228.03847	0.7
229.04996	1.0
232.02400	1.2
236.03502	1.0
239.03503	1.9
241.05020	2.5
242.02228	1.6
243.02876	4.3
244.03342	1.1
245.04535	1.0
246.85225	0.6
250.05215	1.1
251.03429	1.2
255.02925	7.7
256.03598	2.4
257.04440	2.3
266.04611	0.9
267.02917	5.1
268.03427	0.8
269.04535	1.1
271.02463	17.4
272.02945	1.6
273.04068	3.5
285.04065	5.9
288.03210	0.8
294.04111	3.4
295.02414	7.4
299.02011	1.4
300.02725	36.8
301.03394	12.1
305.03369	2.5
312.05136	0.9
313.03516	20.2
314.03879	2.1
322.03564	12.0
323.03809	1.8
340.04590	100.0
341.05011	9.8
386.94092	0.6
510.48300	0.7
516.07770	14.1
517.07819	1.0
517.14056	9.6
517.21857	1.3
521.44165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17859	0.6
58.66585	0.6
59.01247	2.1
69.03326	1.9
71.01254	2.3
71.50376	0.9
72.99190	0.6
73.02792	0.6
75.00743	0.6
78.32233	0.6
79.01807	0.6
79.95599	1.4
83.01270	0.9
85.02831	1.1
87.00739	0.7
87.04404	2.8
89.02348	1.1
93.03358	0.8
94.02850	1.5
95.01266	1.7
96.95910	6.6
97.02869	1.2
99.19149	0.6
101.02336	0.9
107.01291	0.7
109.02842	1.4
111.00741	1.0
113.02400	0.9
119.04875	0.7
121.02860	0.7
123.00776	3.6
123.04439	1.3
124.01568	4.2
125.02335	64.8
126.02670	1.5
127.00210	0.6
127.47817	0.6
127.62637	0.7
134.36502	0.6
137.02356	0.7
139.00296	2.0
139.03896	3.1
145.94829	0.6
149.02365	1.0
150.03188	1.1
151.00272	2.3
151.03889	0.7
152.01099	0.9
153.01855	0.7
157.78249	0.6
163.03931	0.9
166.99773	1.0
167.03459	0.7
168.00549	7.4
169.01337	100.0
169.04886	3.8
170.01703	3.6
173.04449	1.4
180.51160	0.7
181.01381	0.8
183.10049	0.7
190.02608	1.2
191.05547	0.8
195.06828	0.8
205.05060	0.8
211.02451	5.0
223.06099	0.9
265.07260	1.0
271.04596	8.9
287.23441	0.7
300.99844	1.1
309.07776	1.2
313.05676	8.7
314.06100	1.2
324.29587	0.6
331.06689	17.1
331.10556	1.2
332.07007	1.1
352.06046	0.7
373.99396	0.7
515.17670	81.6
516.11090	1.5
516.18005	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	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53639	1.3
52.34172	1.4
55.01759	3.8
57.03326	2.1
57.42043	1.4
59.01249	36.3
61.98704	2.3
69.01260	1.4
71.01250	56.5
71.07844	3.4
72.99192	3.0
73.02824	14.4
75.00751	3.1
81.90364	1.5
83.01261	8.3
83.51865	1.4
85.02817	19.6
87.00739	5.3
89.02319	21.8
93.03336	2.4
95.01254	5.4
96.95910	1.7
97.02827	2.0
99.00749	9.1
101.02323	38.9
108.02052	3.9
109.02803	3.7
111.00829	3.8
111.04401	1.6
113.02327	24.1
115.00260	5.0
119.03419	5.1
121.02838	1.6
123.00781	3.0
125.02332	11.4
129.01799	2.4
131.03413	8.3
137.02344	2.2
139.00267	3.1
143.03392	6.6
143.04924	4.4
145.02838	1.7
149.04460	3.3
152.01065	3.2
159.02876	4.8
161.02400	3.5
161.04469	60.0
161.05830	3.1
162.04843	1.9
168.00519	2.8
169.01357	5.1
173.04512	3.0
179.05614	2.7
183.89891	1.8
187.03874	2.1
190.02614	1.8
191.03404	3.6
191.05515	3.4
205.03461	2.4
212.60696	1.7
293.08575	2.1
300.99963	2.7
323.11353	100.0
324.11584	9.7
337.07840	2.8
338.08008	2.7
339.08182	6.4
341.06815	3.0
437.60391	1.6
453.18143	2.5
455.15567	20.8
456.16284	3.2
515.17621	6.9
516.93311	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	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.5
59.01247	0.8
59.43323	0.2
61.98697	0.3
67.01775	0.3
68.99652	0.2
69.03323	2.2
69.34878	2.1
71.01247	2.0
73.02821	0.7
73.35034	0.2
79.01752	0.3
81.03336	0.9
83.01263	0.6
85.02813	1.3
87.04390	2.8
89.02328	0.3
89.90694	0.2
93.03328	0.4
95.01257	1.1
96.95909	0.2
97.02843	2.5
101.02312	1.4
107.01271	0.7
108.02068	0.6
109.02824	1.0
109.61501	0.2
109.99988	0.5
111.00764	0.7
112.04019	0.2
113.02326	0.8
117.90714	0.2
123.00755	2.6
123.04367	0.4
124.01556	6.2
125.02335	67.9
126.02654	2.3
133.49240	0.2
135.04405	0.2
137.02336	0.9
137.99455	0.3
138.99409	0.1
139.00266	5.6
139.11180	0.7
149.99493	7.6
151.00290	1.0
151.04022	0.3
151.07616	0.2
152.01038	0.6
153.01839	4.3
154.02623	5.5
155.03282	0.3
159.02867	0.4
161.02324	0.6
161.04482	2.2
163.03914	0.3
166.99678	0.2
167.03455	1.0
168.00551	15.0
168.04250	1.0
169.01332	100.0
169.04941	6.9
170.01682	4.1
175.03993	0.4
179.03459	0.3
181.08600	0.3
183.03027	0.2
183.10237	0.5
190.02493	0.4
191.03423	0.3
191.05536	0.9
201.11258	3.4
205.04904	0.4
267.02728	0.2
271.04626	0.8
279.02933	0.3
291.06686	0.5
293.04684	0.6
299.01666	0.3
308.06839	0.6
309.07748	0.4
309.11517	0.3
313.05685	1.4
315.01077	0.2
323.02023	1.9
323.09225	0.5
331.06619	1.7
331.10327	1.1
340.04599	0.3
352.05795	0.8
353.06363	0.4
353.10373	0.6
364.67987	0.3
514.39099	0.2
515.17657	34.2
516.09503	0.4
516.17957	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	515.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01247	4.2
61.98701	100.0
62.98404	0.9
69.03310	1.8
70.90758	1.4
71.01263	3.7
72.99165	0.7
73.02800	1.0
79.95644	0.5
81.03340	1.0
83.01256	1.7
85.02821	2.4
85.06427	0.9
87.00770	0.8
87.04383	1.9
89.02332	0.8
93.03345	0.8
95.01255	2.6
95.04868	0.9
96.95894	1.4
97.02829	2.3
99.00755	0.7
101.02317	2.1
107.01270	2.2
108.01369	1.1
108.02056	11.8
109.02252	0.7
109.02843	8.0
111.00774	1.1
112.03921	1.7
113.02317	1.5
116.62310	0.5
118.65332	0.5
121.02847	1.6
123.00766	10.5
123.04401	1.0
124.01553	18.9
125.02335	31.7
126.02689	0.8
135.04413	1.2
137.02344	2.5
139.00259	1.5
149.02393	1.2
149.43248	0.6
149.99481	9.7
151.00255	5.0
151.03931	1.8
152.01053	13.9
153.01831	7.1
154.02629	0.6
161.02336	1.8
161.04428	1.2
163.03842	0.7
167.03423	1.5
168.00552	51.0
169.01326	9.6
169.05000	1.2
174.03168	0.8
175.03926	1.4
177.01881	0.7
179.03436	1.8
181.08604	0.7
187.03850	0.7
190.02609	1.6
191.03461	1.4
191.05464	1.0
204.47087	0.6
205.04942	0.9
211.02342	2.2
217.10747	1.0
271.04581	1.9
291.06723	0.6
293.04434	1.3
309.07651	1.2
309.11859	1.0
313.05585	2.7
315.07251	5.1
322.41013	0.6
323.09204	2.2
331.06625	1.7
353.10257	2.6
363.16434	1.0
454.33661	0.9
497.16690	1.3
498.16013	0.8
515.17633	88.6
516.06683	0.9
516.11029	0.9
516.18018	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	515.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	1.0
59.01247	14.4
61.10044	0.6
61.98696	2.7
64.46210	0.6
71.01253	10.6
72.99164	1.7
73.02802	1.5
73.89532	0.7
83.04848	0.8
85.02821	2.7
87.00740	0.7
87.04385	0.6
89.02319	5.0
89.03786	0.9
93.74268	0.7
98.20580	1.5
99.00755	0.7
101.02337	4.8
108.01988	0.7
113.02306	3.7
113.99759	0.7
115.05416	35.2
116.05766	1.8
117.03358	1.1
119.03323	1.5
119.04907	0.8
119.13139	0.7
123.04413	0.7
125.02308	1.0
127.03901	0.7
131.04932	1.6
132.02077	2.6
133.02835	4.1
133.06483	1.1
134.03629	33.6
135.04379	2.6
136.01561	1.1
137.02333	1.9
141.09132	0.8
147.04416	6.2
148.05208	3.8
149.02347	0.7
149.05975	9.8
151.03929	1.2
158.03635	5.9
159.04420	100.0
160.01559	21.6
160.04695	4.8
161.02199	1.7
161.04475	1.2
161.06073	0.8
163.03886	1.4
163.07495	0.9
164.04665	0.7
173.06027	2.1
174.03146	1.8
175.03917	33.9
176.04691	18.5
177.01881	3.4
177.05386	2.5
178.02605	6.1
179.03386	1.2
183.10188	1.0
189.05489	0.7
191.07066	24.3
192.04224	2.9
192.07414	1.6
193.04990	48.5
194.05363	1.9
202.02650	0.7
207.06534	8.0
207.13878	1.1
209.11746	1.0
217.05002	2.1
220.03691	3.8
221.08104	1.0
235.06073	56.9
236.06456	3.5
249.14896	1.9
265.07147	29.3
266.07584	1.5
269.13940	3.7
287.22366	2.2
295.08209	44.4
296.08603	3.2
298.98279	0.8
337.09070	1.0
353.06549	0.7
353.23004	0.9
355.10294	8.3
371.16965	0.8
371.24338	1.2
417.10675	0.7
515.28149	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	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03321	3.6
58.00453	2.5
59.01245	34.7
59.78911	1.0
65.03831	1.5
68.56535	1.1
69.03332	2.3
69.35963	9.4
71.00854	1.6
71.01249	31.4
71.04893	1.4
72.99168	1.9
73.02402	1.4
73.02815	25.1
73.39323	0.9
73.97629	1.0
81.03336	4.2
83.01257	2.9
83.04891	11.0
85.02818	13.8
87.00744	3.8
89.02310	25.8
93.03332	62.5
94.73335	1.1
95.01217	2.4
98.19868	2.3
99.00752	8.2
99.04389	6.7
101.02332	12.6
109.02834	1.4
111.00758	1.8
111.04406	21.8
112.98732	1.4
113.02319	15.8
116.85860	1.2
119.03413	9.0
129.01846	3.6
130.04982	1.5
131.03423	1.4
135.04427	10.2
137.02338	16.1
142.99767	2.9
143.03401	4.0
151.06007	4.5
155.03419	9.8
161.04491	3.0
172.05951	1.2
173.04469	100.0
173.88486	1.1
174.04788	3.4
174.07614	3.0
179.03487	8.7
179.05533	14.4
191.05510	4.5
283.10349	1.1
309.09579	1.2
315.07516	1.3
341.10913	72.3
342.11322	6.0
413.83612	1.3
451.84796	1.1
508.81680	1.2
515.15918	19.0
516.15875	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	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.7
61.98698	0.4
69.25326	3.4
71.01250	0.8
73.02853	0.4
89.02305	0.7
90.26523	0.4
93.03333	22.9
94.03663	0.6
98.19746	0.8
113.02361	0.6
117.03355	0.4
119.04919	0.4
131.04910	0.4
133.02843	0.8
135.04362	0.7
145.02837	0.8
159.83963	0.4
160.01556	0.7
161.02338	1.6
163.03902	2.6
171.04442	0.6
173.02371	1.8
174.03149	5.9
175.03868	1.2
177.05484	0.6
179.03568	0.8
183.04448	13.8
184.04771	0.8
186.03160	0.7
187.03958	2.4
199.03909	3.7
200.04716	16.0
201.01929	0.9
201.05185	1.2
209.02388	1.6
217.04999	0.6
227.03444	18.8
228.03738	1.6
235.07526	0.6
244.03784	0.9
258.05289	1.4
259.06088	44.7
260.06430	3.3
261.05533	1.9
262.06107	0.4
275.07086	0.6
277.08871	0.4
278.05890	2.4
279.06604	37.9
280.07159	6.5
292.07413	1.4
293.08069	2.0
303.06583	4.1
304.07178	0.4
319.74127	0.4
321.07541	4.0
335.05618	0.5
335.09256	1.2
336.08487	0.7
352.09561	5.4
353.10269	100.0
354.10611	12.0
515.15167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86436	1.5
55.01768	1.6
57.03326	2.5
58.00470	1.8
58.19629	1.5
59.01250	41.8
69.03317	2.2
69.62489	2.4
69.62899	5.4
70.57122	1.2
71.01255	41.5
72.99194	3.6
73.02820	18.9
75.00747	3.0
77.52362	1.3
78.35960	1.2
81.03327	1.8
83.01263	2.1
83.04893	7.5
85.02828	12.9
87.00751	2.9
87.71082	1.2
89.02318	44.3
93.03330	51.6
95.01266	2.1
97.02905	1.5
99.00757	8.5
99.04387	5.7
101.02327	22.6
109.02860	1.8
111.00742	4.9
111.04408	20.4
113.02323	18.3
116.93081	1.2
119.03391	13.9
123.75678	1.4
129.01804	7.7
129.05505	2.2
131.03387	2.6
131.08157	3.8
135.04414	6.0
137.02348	16.0
142.99762	11.1
143.03394	9.4
145.01343	2.2
149.04504	1.7
151.06015	2.2
155.03410	10.5
161.02377	3.3
161.04492	4.9
173.00836	4.5
173.04465	94.5
173.10321	2.3
174.04840	2.2
174.07623	5.5
179.03392	5.7
179.05547	20.2
179.85509	1.3
191.05511	2.6
206.56717	1.4
299.99203	2.1
300.99838	2.5
325.71902	1.7
341.10904	100.0
342.11115	7.8
515.14691	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	515.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89090	0.4
59.01252	2.9
69.75789	2.6
71.01251	1.0
73.02822	0.5
74.50716	0.4
89.02311	0.9
93.03332	23.8
94.03707	0.4
101.02286	0.8
103.88288	0.4
113.02392	0.6
117.03379	1.0
119.04918	0.6
125.02347	0.4
145.02835	0.6
147.02248	0.4
152.26411	0.4
160.01581	0.7
163.03944	2.4
171.04491	1.0
173.02361	1.5
174.03127	6.7
175.03934	2.4
177.05469	0.6
183.04431	14.6
184.04791	0.9
186.03188	1.1
187.03886	3.0
199.03917	3.7
200.04710	17.3
201.01910	1.3
201.05205	1.1
209.02466	1.1
227.03453	17.5
228.03793	1.4
233.06120	0.6
251.07126	0.7
258.05286	1.0
259.06085	47.2
260.06448	3.7
261.05521	2.4
262.06024	0.7
272.34760	0.4
275.06989	0.5
278.05801	2.5
279.06604	40.3
280.07184	7.1
281.07819	0.7
292.07391	1.1
293.08173	2.8
303.06549	3.5
304.07111	0.5
305.04520	0.6
321.07602	3.5
322.08105	0.5
335.09329	1.5
336.08716	0.7
352.09509	5.6
353.10275	100.0
354.10629	10.0
482.09006	0.5
515.28229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3583
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
58.00127	0.6
59.01238	1.2
61.98702	0.7
71.51039	0.7
105.12995	0.5
114.31375	0.5
125.03156	0.5
140.30704	0.5
145.69150	0.5
165.97217	0.4
176.45161	0.5
277.21799	0.6
348.97220	0.4
441.37003	0.6
453.33685	2.1
513.35846	100.0
514.36188	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	514.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	6.3
61.98697	100.0
69.03303	2.4
69.33092	11.2
69.33505	4.1
71.01237	4.8
73.02808	2.1
83.01205	2.4
85.02814	3.5
89.02290	1.7
93.03308	2.9
95.04896	11.3
96.05211	2.8
97.02811	3.3
101.02308	3.2
103.10542	1.8
107.01243	2.7
108.02017	6.3
109.02170	1.9
109.02837	22.8
117.03288	1.7
123.00755	6.9
123.04415	10.9
124.01586	14.9
125.02358	36.0
126.02679	10.3
133.02826	5.5
134.03630	2.3
135.04373	2.3
136.01500	2.0
137.02316	3.0
139.00224	7.9
145.02832	3.3
149.02310	2.3
149.99496	16.0
150.03116	2.4
150.99872	6.4
151.03918	5.6
152.01025	6.4
153.01723	7.7
154.02614	8.5
155.02965	2.7
159.04407	3.1
159.86601	1.7
160.95546	3.4
161.02290	6.5
162.03096	4.0
167.03421	3.1
167.07039	3.9
168.00549	43.6
169.01036	19.2
169.04884	7.4
170.01721	2.0
174.63857	2.0
175.03589	2.2
176.92151	1.9
177.01828	21.3
179.03299	2.1
181.08585	15.5
182.08975	9.4
189.01854	36.6
190.02621	13.9
191.03351	6.9
191.05322	2.8
194.74686	2.2
199.09622	1.9
203.03410	3.3
205.05002	3.4
213.94664	1.8
216.00648	5.2
217.01369	22.9
219.02899	11.2
227.07040	2.9
231.02855	10.5
281.04462	4.9
289.07248	3.2
297.07388	3.9
299.05667	9.4
299.99304	4.0
300.99887	10.7
331.06793	2.3
341.06595	58.4
342.06738	7.8
451.04007	3.4
451.10291	56.6
452.10602	8.2
494.55386	1.8
513.15948	6.1
514.16382	72.3
515.01245	3.0
515.16595	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.01652	0.2
61.98700	100.0
69.03320	0.5
69.17486	0.3
69.17882	2.4
74.85550	0.2
81.03331	0.5
83.01254	0.3
95.01270	0.3
97.02840	0.6
107.01257	0.4
108.02057	0.4
109.02847	0.7
111.00757	0.2
123.00764	1.6
124.01546	4.2
125.02330	11.9
130.76868	0.2
134.50346	0.2
137.02422	0.5
149.99480	5.8
151.00287	1.0
151.03848	0.3
152.01093	0.6
153.01782	0.3
160.23424	0.2
167.03369	0.3
168.00551	12.5
169.01317	4.3
211.02357	0.4
236.74818	0.2
272.04993	0.2
300.99738	0.3
313.05511	0.5
315.07361	0.3
331.06744	0.7
452.33224	0.2
453.33432	0.5
454.33939	0.8
514.17175	0.4
514.32550	0.3
515.17682	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01719	0.3
56.25874	0.1
58.00441	0.3
59.01248	6.6
70.78736	0.2
70.79108	0.2
71.01251	5.4
72.01571	0.1
72.99171	0.4
73.02821	1.0
83.01255	0.6
83.04890	0.1
83.09132	0.1
85.02814	1.2
87.00749	0.9
89.02316	4.2
91.03849	0.3
95.01232	0.4
97.02809	0.2
99.00723	0.3
101.02322	4.6
102.02624	0.1
103.03868	0.2
111.00623	0.1
113.02323	2.1
115.03918	0.2
119.03384	1.0
125.02322	0.2
127.07517	0.3
131.03363	0.2
133.04892	0.3
143.03368	0.3
149.90767	0.1
157.05037	0.1
161.04471	1.7
179.05513	0.6
197.11696	0.1
205.19469	0.2
233.22656	0.3
235.08188	1.1
253.09262	16.5
254.09608	0.7
259.20718	0.3
270.76953	0.1
275.20267	0.2
277.21716	100.0
278.22055	10.2
407.39175	0.1
513.35968	2.9
514.36200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.3
57.03324	14.0
59.01252	12.8
64.98454	2.0
68.99708	2.5
69.40963	4.3
69.41367	16.2
71.01253	72.1
71.04914	2.1
72.99192	2.7
73.02819	25.6
76.98580	3.8
83.01273	7.6
83.04929	3.6
85.02823	37.0
87.00757	4.8
87.04388	60.3
87.04887	3.1
89.02338	4.5
93.03362	5.7
95.01250	10.7
95.04919	2.1
96.13744	2.0
96.95886	2.9
99.00774	9.7
99.04431	7.9
101.02324	43.3
101.02921	2.9
108.02056	17.1
109.02833	27.8
111.00820	3.8
113.02328	33.4
113.03051	2.2
115.00317	5.2
116.14664	2.3
121.02869	5.6
122.03625	78.9
123.00744	3.1
123.04420	80.9
123.05307	4.0
123.08042	2.5
124.04780	4.3
125.02358	10.0
125.06019	6.3
137.02327	15.8
138.98662	4.0
139.11174	13.6
143.03398	5.5
149.02385	3.0
151.00331	3.8
152.01097	7.4
153.01862	4.7
159.02885	11.1
161.02449	4.1
161.04459	83.6
162.04858	4.1
165.05533	9.7
169.01466	6.0
175.02495	8.2
175.03931	2.9
183.08818	2.3
183.10155	11.5
191.03271	2.7
191.05554	3.2
201.11241	75.2
202.11641	4.4
225.11177	2.3
285.09729	21.3
301.00159	2.8
329.08911	2.8
357.45633	2.5
513.20038	100.0
514.20929	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	513.2696
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
53.79176	0.6
55.01759	3.7
58.00467	4.4
58.07207	0.6
59.01247	96.2
59.50011	1.0
60.01571	1.2
61.98703	2.1
69.03332	2.6
71.01250	100.0
71.05446	0.9
71.05765	1.0
72.01579	0.8
72.99175	7.1
73.02811	23.6
73.73112	0.6
75.00747	2.4
75.39757	0.6
81.03334	1.4
81.73106	0.7
83.01247	8.2
83.04891	0.7
85.02821	25.2
85.99989	1.0
87.00748	6.3
87.51928	0.6
89.02312	92.6
90.02661	1.6
91.55687	0.6
92.52857	0.6
95.01260	5.1
96.95887	0.9
97.02813	4.6
99.00753	18.8
99.01362	1.3
99.04413	1.0
101.02319	64.5
102.02652	1.4
111.00765	1.2
113.02322	31.1
115.03878	2.9
119.03381	27.8
120.03683	0.7
121.02879	0.9
125.02333	7.1
129.01826	0.6
129.09006	1.0
131.03392	19.7
132.03688	0.7
143.03406	7.0
149.04451	28.8
150.04756	0.8
159.02841	1.5
161.04456	13.7
170.42345	0.6
171.10226	1.2
173.10683	0.7
179.05502	7.6
191.05537	10.7
191.07172	1.3
195.88812	0.7
201.05635	0.8
209.11761	2.9
210.12108	3.1
211.12262	1.0
217.04973	0.9
219.17406	0.9
221.06920	0.7
233.06635	5.8
243.98715	0.6
252.26241	0.6
275.07391	0.7
293.08807	3.3
366.07367	3.9
367.08188	3.7
381.22781	16.0
382.23300	1.9
395.24536	1.9
396.19803	0.8
396.24884	0.8
513.14063	4.9
513.27014	79.0
514.27319	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	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
57.31375	0.3
59.01248	5.0
61.98701	2.2
65.00192	0.5
69.03359	0.4
71.01247	2.4
71.51801	0.5
73.02827	0.9
75.00745	0.4
81.03326	4.1
83.01241	2.9
85.02840	1.1
87.00772	0.4
89.02327	1.4
93.03329	0.7
95.01308	0.5
95.04909	1.1
96.95894	1.2
97.02875	0.3
99.00800	0.4
101.02322	1.3
105.03325	0.4
107.04861	0.4
109.02837	0.6
111.04437	0.4
112.94312	0.3
113.02344	1.0
119.03381	0.4
119.04927	0.6
121.02863	1.1
123.00776	0.7
123.04411	30.3
124.04742	0.9
125.02338	5.4
135.04413	0.9
137.02350	1.2
137.06013	0.4
138.03113	1.1
139.03961	0.7
149.02402	1.1
150.03186	0.4
151.00281	1.4
151.03969	1.0
152.00972	0.5
153.05507	1.9
153.09059	0.4
160.01648	0.4
161.02361	0.4
161.04495	0.8
161.09657	0.5
163.03963	1.6
165.01894	0.5
166.02530	0.4
167.03413	100.0
168.00552	0.3
168.03757	3.6
169.01355	0.5
173.02338	0.7
173.04568	0.3
173.09709	0.3
175.00272	0.9
175.03908	0.9
176.01070	0.6
179.03456	1.0
181.04965	2.1
181.08641	0.4
183.10194	1.5
187.11238	0.7
189.12761	0.9
190.02675	1.1
191.03424	21.0
192.03732	1.1
192.91640	0.3
193.05083	0.4
205.04961	1.1
209.04474	6.6
221.04535	1.4
232.04478	0.3
233.04532	0.8
233.11754	0.5
271.09851	0.8
279.22110	0.3
293.12329	0.9
297.11877	0.8
307.22351	0.3
307.40051	0.3
329.08850	0.4
351.05078	1.1
351.21619	1.3
400.27774	0.3
513.19592	13.6
513.26532	2.0
514.20013	1.8
514.26898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76981	0.1
55.01783	0.2
57.03325	0.6
59.01245	0.7
61.98696	2.8
65.00191	0.6
68.16255	0.1
69.03328	0.3
71.01247	1.2
71.06072	0.2
71.06384	0.3
73.02825	0.4
80.02519	0.2
80.15826	0.2
81.03336	0.4
83.01250	1.2
83.04916	0.1
83.36057	0.1
84.89304	0.1
85.02843	0.5
87.04391	0.4
88.27416	0.1
89.02331	0.3
93.03327	0.2
95.01258	0.6
95.04909	0.4
96.95887	0.8
97.02842	0.4
98.78990	0.2
99.00762	0.2
101.02318	0.7
107.01276	1.4
108.02047	20.1
109.02228	0.2
109.02835	0.8
111.00761	0.4
113.02338	0.4
113.55592	0.2
119.04858	0.2
121.02841	0.4
122.03622	0.2
123.00790	1.0
123.04401	12.0
124.01572	1.2
124.04752	0.3
125.02326	15.4
126.02672	0.4
126.21162	0.1
131.03432	0.1
133.02876	0.3
134.03722	0.2
135.04372	0.8
136.04715	0.2
137.02307	0.6
139.00299	0.4
139.03885	0.2
149.02321	0.4
149.99464	0.6
150.03194	0.1
151.00262	6.5
151.03853	0.6
152.01048	44.0
153.01328	1.6
153.05429	0.3
155.10754	0.2
160.01558	0.2
161.02406	0.7
161.04471	0.4
162.02745	0.2
163.00325	0.2
163.03876	0.2
165.01845	0.3
167.03401	100.0
168.00554	2.4
168.03738	4.0
169.01324	17.6
170.01660	0.8
173.04483	0.3
174.03084	0.2
175.00320	0.4
175.03871	0.6
177.01917	0.7
178.99771	0.4
179.03358	0.2
183.10185	0.2
189.01805	0.7
190.02583	0.5
191.03514	0.2
191.05478	0.6
193.01326	0.7
193.04955	0.2
201.11221	0.3
205.04991	0.7
210.99153	0.4
211.02402	1.5
223.05946	0.3
265.06937	0.2
271.02002	0.2
271.04565	2.4
283.11636	0.1
287.05417	0.3
288.05676	0.3
289.07150	0.2
293.81760	0.2
300.02670	0.5
301.00095	0.3
301.03412	1.2
305.04318	0.1
307.05807	0.2
313.05566	1.7
329.08810	0.3
331.06650	2.7
332.06711	0.2
333.04028	0.2
433.07562	0.2
513.15820	16.5
514.16364	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	513.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	3.2
59.01252	43.3
69.46222	10.2
71.01247	34.5
72.48460	1.6
72.99173	3.1
73.02810	2.4
80.04959	3.1
83.01234	2.4
85.02818	9.6
85.57055	1.6
87.00751	10.3
89.02318	29.0
94.06497	1.7
95.01241	3.6
98.07037	1.7
98.20611	3.0
99.00740	2.8
101.01693	2.6
101.02311	23.7
108.04419	2.7
109.02834	2.0
113.02332	12.7
119.03391	12.9
120.04478	2.1
121.05235	7.3
122.05992	17.0
125.02329	2.6
129.73816	1.5
133.69753	1.3
136.03915	2.9
136.07556	2.2
138.05511	5.2
143.03430	1.9
148.03966	3.7
149.04642	4.7
150.05536	8.0
159.06825	1.8
161.04512	3.3
162.05449	1.5
165.01920	1.5
165.04179	2.8
166.05008	6.8
169.01335	1.6
173.08319	2.7
174.05598	1.6
174.12866	3.1
184.11215	4.8
187.09819	1.9
188.07094	5.5
189.07837	4.3
200.10678	1.6
201.01730	1.5
202.12300	11.4
204.06577	10.3
216.06598	7.9
216.08824	2.9
217.07475	7.3
218.08127	1.7
227.08102	2.5
228.10172	4.8
229.09755	10.5
231.09027	3.1
231.11330	33.0
232.11656	2.2
243.11386	3.1
246.11293	13.9
247.11330	1.8
253.09792	4.4
255.11395	2.0
270.10129	4.3
271.10873	37.2
272.11493	2.3
300.99747	2.7
328.10391	2.7
346.11530	3.9
397.13535	9.0
408.16797	3.9
426.17548	4.4
428.44037	1.5
433.15976	4.3
451.17212	41.9
452.17453	4.5
461.48969	1.4
469.18085	8.1
470.17291	1.4
495.16400	8.3
513.17261	100.0
514.17749	11.7
520.52411	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16943	1.5
55.01743	2.0
57.03313	2.5
58.00450	4.3
59.01246	77.2
67.97738	1.5
69.76247	3.4
69.76651	6.9
71.01252	47.3
72.99167	4.5
73.02823	3.1
80.04912	3.6
83.01256	3.3
85.02821	12.3
87.00754	15.1
87.63099	1.7
89.02310	33.5
94.06474	1.8
95.01241	4.3
98.19823	1.9
99.00745	2.3
101.02314	27.4
103.66885	1.5
108.04428	5.2
109.02808	2.9
111.00759	2.5
113.02328	16.9
114.56184	1.9
115.00228	7.2
119.03380	15.2
120.04456	1.9
121.05239	10.7
122.06013	26.6
123.04345	1.9
125.02310	7.7
131.03421	1.6
136.03918	3.8
136.07587	5.6
137.02370	2.6
138.05510	8.9
140.07039	2.1
145.71814	1.5
148.03937	5.2
149.04674	4.7
150.05469	10.2
151.03938	1.8
158.09682	2.3
159.06740	3.0
161.02425	4.0
161.04507	2.4
162.05489	2.5
165.04199	5.2
166.04996	9.8
168.78229	1.7
169.01318	2.4
172.07611	1.9
173.08377	4.5
174.12746	4.2
175.03935	3.0
175.06264	2.1
177.01813	1.8
184.11267	7.5
185.06883	1.6
188.07066	6.4
189.01834	9.1
189.07945	2.1
190.02519	2.5
200.10783	3.1
202.08664	1.9
202.12331	16.3
203.09471	1.7
204.06531	9.8
204.10228	2.7
213.06648	4.1
214.07437	1.8
216.06580	9.4
216.08821	3.7
217.07347	6.6
218.08171	3.1
227.08197	3.5
228.10210	6.8
229.09723	11.6
230.08046	2.2
231.09042	4.7
231.11311	42.9
232.11554	3.4
242.06950	3.3
242.10420	2.4
243.11264	3.4
246.11317	15.0
253.09740	6.2
255.11400	1.8
270.10089	5.8
271.10861	52.0
272.11304	3.1
289.07251	1.9
289.11700	2.1
300.99728	3.9
303.82013	1.5
328.10361	2.9
337.07651	9.3
346.11441	5.0
374.10883	1.7
390.09732	1.9
397.13779	7.5
400.23083	1.4
411.15515	1.7
426.17789	5.0
433.16098	4.2
451.17197	39.9
452.17218	3.7
469.18271	5.9
495.16248	8.7
496.16635	1.9
513.17212	100.0
514.17462	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	513.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93790	0.9
57.03304	1.1
59.01256	5.7
61.98699	2.2
67.01743	2.0
69.03320	1.5
69.55009	3.5
69.55432	4.1
71.01250	6.4
73.02788	1.4
79.01771	1.8
83.01240	1.6
85.02822	5.5
89.02304	2.5
89.94215	1.1
93.03317	2.8
95.01270	3.6
95.04916	11.2
96.95882	12.9
97.02815	2.9
99.23092	0.9
101.02310	2.6
101.05962	2.1
105.09948	1.0
107.01260	13.6
108.02045	1.9
109.02834	4.7
111.00759	2.7
113.02322	3.5
119.04865	1.7
120.99532	2.1
121.02814	3.1
121.06469	1.1
122.99223	1.1
122.99925	2.0
123.00764	26.4
123.04387	9.6
124.01514	1.8
125.02332	36.2
135.04390	2.7
137.02339	2.7
137.05957	4.2
137.09674	1.6
139.00273	6.0
139.03903	9.9
141.01772	2.6
144.34981	1.0
149.02307	3.1
150.03185	1.9
150.99133	2.1
151.00262	19.8
151.03902	1.8
153.01791	2.2
153.05441	1.4
155.10623	4.1
161.02295	3.6
163.00250	1.7
163.03860	3.9
164.04637	1.1
165.01738	1.1
165.05457	1.3
167.03415	5.2
168.00531	3.4
169.01334	65.0
169.04955	12.0
170.01636	2.8
173.04462	2.0
175.03839	2.2
177.01825	1.4
178.99730	1.5
179.03351	1.4
181.08598	15.5
183.02908	1.4
190.02585	1.4
191.05510	2.6
193.01360	1.2
199.09662	2.7
205.04900	1.5
210.99165	5.2
211.02345	8.5
223.09695	5.7
229.04716	1.1
239.03452	1.2
253.03445	1.6
253.37910	1.3
255.43071	0.9
287.09189	3.5
289.07278	1.3
300.02756	2.8
301.00296	1.2
301.03500	15.9
313.05582	3.4
331.06546	5.0
331.10312	3.1
351.10748	1.4
433.07782	2.3
513.03217	3.4
513.16003	100.0
514.16400	11.5
526.04071	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	513.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
59.01244	2.0
59.03271	0.7
61.98700	1.2
63.17772	0.6
69.03323	1.5
69.27213	2.5
69.27637	2.2
71.01244	2.5
71.47833	0.5
81.03334	1.1
83.01253	1.0
85.02831	1.6
89.02318	0.7
93.03309	0.6
95.01260	0.9
95.04906	0.6
97.02827	1.8
101.02314	1.1
107.01282	2.3
108.02052	19.9
109.02831	2.1
111.00776	0.8
113.02384	0.5
121.02800	0.6
123.00788	2.5
123.04404	10.1
124.01564	4.5
125.02338	78.0
126.02673	1.9
135.04417	0.9
137.02298	0.8
137.03302	0.6
139.00256	1.6
139.04013	0.5
140.00992	0.6
151.00298	2.0
151.03844	1.0
152.01057	45.1
153.01407	1.5
156.30383	0.6
161.02324	0.9
167.03412	84.0
168.00555	9.3
168.03734	4.1
169.01338	100.0
170.01691	3.6
175.03943	1.0
177.01813	1.7
190.02707	0.8
199.41629	0.6
205.04991	0.7
211.02390	8.8
271.04584	13.1
272.04849	0.8
289.07169	0.8
301.03476	2.2
313.02319	0.8
313.05658	8.6
331.06699	17.9
332.06964	1.0
361.47778	0.6
447.07828	0.6
457.57526	0.5
513.16028	56.0
514.16431	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	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75562	0.5
59.01240	2.3
61.98700	39.0
62.56292	0.4
63.03505	0.4
67.01753	0.5
68.63276	0.5
69.03333	2.8
69.61913	2.5
71.01257	3.1
73.02809	1.2
75.00734	0.6
81.03342	1.5
83.01274	1.8
85.02818	2.6
89.02305	0.8
93.03345	1.2
94.92121	0.4
95.01262	1.8
95.04890	5.9
97.02835	3.5
99.00784	0.5
101.02326	2.1
107.01278	1.6
108.02047	4.3
109.02824	5.5
111.00731	1.2
113.02329	1.2
113.79941	0.5
119.08567	1.1
120.99502	0.7
121.02870	0.8
123.00767	7.9
123.04400	2.7
124.01550	21.0
125.02335	63.6
126.02656	1.8
133.02863	1.0
134.03641	0.5
135.04370	1.2
136.99017	0.6
137.02373	3.2
137.09625	0.6
139.00272	4.6
139.03943	0.5
141.01813	0.9
143.03288	0.5
145.02873	0.8
149.02359	0.9
149.99483	26.2
151.00267	2.4
151.03908	1.7
152.01077	3.9
153.01836	4.9
154.02629	4.5
155.10732	1.3
161.02342	3.2
161.04416	1.4
163.00212	0.6
163.03845	0.7
165.01790	0.7
166.77425	0.5
166.99782	0.5
167.03421	2.3
167.07016	4.6
168.00549	74.7
169.01286	7.8
169.04962	4.1
173.04494	2.1
174.03099	1.3
175.03905	1.6
177.01843	3.7
177.42104	0.5
179.03426	0.9
181.08620	11.0
182.08943	0.5
183.02899	1.3
187.03931	0.6
189.01831	4.0
190.02634	1.9
191.03297	0.7
193.01372	0.8
199.09769	1.0
203.07137	0.6
205.05060	0.9
211.02353	0.9
216.00545	0.6
217.01430	2.5
219.02953	1.4
231.02902	0.7
289.07141	1.0
299.05655	1.4
313.05698	1.4
315.07169	1.7
331.06702	4.3
331.10193	0.8
337.15216	0.6
341.02664	0.7
341.06665	8.4
449.14313	0.6
451.10272	6.5
467.15640	1.2
495.15082	1.9
512.22614	0.5
513.16040	100.0
514.16425	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	513.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
57.18182	0.5
59.01250	13.8
60.43092	0.6
61.98702	9.6
64.90652	0.5
69.03316	1.2
69.35055	4.0
69.35468	1.3
71.01251	9.5
71.04862	0.6
72.99197	0.9
73.02818	2.0
75.00737	0.8
78.95791	1.0
81.03341	0.9
83.01273	1.1
83.04906	1.6
85.02824	3.1
87.00759	1.6
88.20730	0.6
88.98679	4.1
89.02313	5.5
93.03337	6.9
95.01270	1.2
95.04939	0.5
96.95883	2.3
96.96848	1.4
99.04370	0.8
99.08058	1.3
101.02321	4.6
107.04919	0.7
109.02818	1.5
111.00762	0.6
111.04398	1.8
113.02289	3.0
117.03381	1.5
119.04911	94.4
120.05265	3.4
121.02797	0.7
123.00774	0.7
123.04418	0.7
124.01542	0.7
125.02332	2.9
127.03936	1.0
129.01843	0.7
130.04102	0.8
131.04913	2.6
133.02827	1.2
134.03574	0.8
135.04372	1.0
137.02336	2.3
141.09120	1.6
145.02831	3.0
145.08574	2.3
147.04424	4.5
149.02348	2.9
149.05995	1.6
150.03058	0.7
153.01808	0.8
155.03406	2.8
159.04396	1.2
160.01559	1.0
161.02342	2.4
161.04457	1.0
161.09592	1.5
161.13091	0.9
162.02879	0.7
163.03922	7.7
164.04645	2.1
168.00533	1.4
169.01360	2.1
172.05191	0.7
173.02364	11.3
173.04465	8.1
173.05800	0.8
174.03143	12.3
174.04704	1.1
175.00327	2.5
175.03915	76.1
176.04298	3.7
177.01884	3.2
178.55756	0.6
179.03387	0.6
181.08598	0.8
183.02873	1.5
183.04463	1.3
183.10185	3.6
187.03947	2.5
187.11227	1.9
188.04675	0.7
189.01892	2.9
189.05478	12.2
189.09154	2.1
190.02628	6.3
191.03581	1.0
191.05522	6.7
192.05768	0.6
200.04709	19.9
201.01886	5.1
201.05325	2.4
202.02452	0.7
205.05011	6.8
205.12439	0.6
207.10249	0.7
209.11792	1.8
216.00572	2.8
217.01402	2.9
223.06087	1.7
223.13309	0.9
227.03349	1.9
232.04445	0.9
237.53999	0.6
247.13351	6.6
263.11243	0.8
267.12332	1.2
271.06192	1.4
276.04346	1.1
277.04977	0.7
283.06097	1.0
283.13437	1.0
285.20834	1.5
290.05698	1.3
291.06656	3.7
292.07397	1.2
293.04437	3.3
294.05331	12.5
295.09747	43.1
296.10092	3.6
306.05090	1.0
307.06149	1.8
307.13980	8.3
308.06854	2.8
309.07587	1.9
311.05634	1.6
318.05350	1.1
323.09073	0.9
334.04721	1.2
335.05579	2.5
336.06216	8.0
337.06409	1.3
339.08701	36.5
340.09140	3.4
351.08710	100.0
351.21661	1.8
352.09128	9.4
419.11273	4.6
513.14941	8.0
513.23322	11.9
514.14838	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	513.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01289	0.1
59.01250	0.9
59.10497	0.1
61.98695	0.5
71.01253	0.6
71.31446	0.1
71.31776	0.1
73.02815	0.2
83.01214	0.1
85.02830	0.2
87.00772	0.1
89.02316	0.2
89.03873	0.1
93.03306	0.2
99.00767	0.1
101.02304	0.3
101.03821	0.1
107.04833	0.1
113.02348	0.2
117.03361	0.2
119.04910	0.3
121.02870	0.2
129.03343	0.2
130.04164	0.5
131.04919	4.2
132.02036	0.5
132.05257	0.2
133.02823	0.5
134.03632	2.3
134.04639	0.1
135.04385	0.3
137.02336	0.2
145.02806	0.4
147.04405	1.4
148.05190	0.2
149.02368	0.1
149.05992	0.5
150.03113	0.1
151.03885	0.1
152.99556	0.1
157.02835	0.4
158.03636	0.6
159.04317	0.1
160.01587	2.1
161.02319	0.3
161.04521	0.1
163.03963	0.2
164.04710	0.1
171.04382	0.2
173.02371	0.8
173.04512	0.2
173.05919	0.2
174.03148	19.1
174.51147	0.1
175.03920	100.0
176.04279	5.3
177.01747	0.2
177.05408	0.1
178.02638	0.4
179.03384	0.1
183.10118	0.2
187.03929	0.7
189.05470	0.4
190.02722	0.1
191.07051	1.4
192.04254	0.2
192.07349	0.1
193.04988	3.0
194.05327	0.2
199.04002	0.2
200.04727	0.3
201.05527	0.1
205.05029	0.3
207.06581	0.7
209.11784	0.2
217.04991	1.2
220.03679	0.3
229.05029	0.8
234.86362	0.1
235.06073	4.6
236.06468	0.3
245.04376	0.1
265.07166	1.6
267.15936	0.1
283.13525	0.1
295.08206	1.5
296.08530	0.1
323.07748	0.3
337.09274	1.5
351.21591	0.3
355.10428	0.2
513.13721	0.2
513.23694	0.3
514.23260	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	513.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
58.00469	1.4
59.01249	31.1
62.72630	0.8
68.99684	0.9
69.37082	1.9
69.37496	6.2
71.01251	23.8
72.99183	3.9
73.02826	1.8
75.00742	3.2
83.01270	2.9
85.02827	7.0
85.99969	0.8
87.00746	33.0
89.02309	10.7
93.03334	1.5
95.01251	1.4
98.19792	1.1
99.00761	2.0
101.02316	10.8
105.24506	0.8
109.02837	2.4
111.00737	4.2
111.68670	0.8
113.02330	9.2
115.00253	59.7
116.00626	1.7
119.03391	5.2
121.05215	2.5
122.05983	4.0
123.04358	2.3
125.02327	4.2
129.01807	1.4
131.03409	1.9
135.04413	1.0
137.02332	1.7
138.05495	1.6
139.00278	3.0
149.02338	1.6
150.05518	1.8
151.03908	2.1
159.04424	1.2
159.06746	1.0
161.02345	1.5
161.04463	2.2
165.04233	2.0
166.04930	1.5
171.86819	0.8
173.04483	1.4
173.08412	1.2
174.03149	2.1
175.03951	7.1
177.01805	1.5
177.05519	3.1
179.03569	0.9
179.05412	1.0
184.11253	1.8
187.03952	2.5
188.07062	1.6
189.01807	1.1
189.05475	14.9
190.05879	1.3
191.05565	1.6
195.06609	2.2
202.12354	1.9
203.03445	1.5
204.06607	2.8
205.05066	1.4
215.03465	1.3
216.06758	1.3
217.07411	1.4
227.08160	1.2
228.10248	1.5
229.09760	2.4
230.08278	1.3
231.02937	1.1
231.11296	8.4
233.04541	10.9
246.11325	3.8
247.06029	2.0
253.09790	1.1
268.57578	0.9
271.10837	11.8
289.07175	3.6
291.05017	4.5
297.08194	10.8
313.71216	1.0
336.06870	2.6
337.07755	100.0
338.08160	5.3
346.11389	1.7
390.10297	1.4
397.13791	1.4
451.17288	10.1
455.22131	1.1
465.33682	1.1
469.18289	1.7
495.16086	2.7
513.17255	24.9
514.17676	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	513.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.8
61.98702	2.6
69.03332	0.4
71.01267	2.7
71.09512	0.7
73.02826	0.9
75.00740	0.5
83.04908	0.7
85.02830	1.0
87.00752	1.1
89.02333	1.4
93.03346	0.8
95.04895	0.4
96.95909	0.6
101.02326	1.6
107.04923	0.4
108.39436	0.4
109.02903	0.5
111.00784	0.4
111.04404	0.5
113.02318	1.4
113.99294	0.4
119.01308	0.5
121.02908	0.5
123.04363	0.6
124.01566	1.1
125.02308	2.2
131.04904	3.1
134.03639	0.5
135.04428	0.6
137.02310	0.8
141.09099	1.5
145.02879	0.8
147.04388	0.9
149.02397	0.6
149.99542	0.5
151.00320	0.6
151.07556	1.1
153.01839	0.7
155.03360	0.5
161.02359	0.9
161.04373	0.4
161.09610	0.8
163.03938	4.1
164.04634	0.9
167.03435	0.8
168.00546	1.6
169.01338	0.9
173.02327	2.1
173.04518	1.1
174.01715	0.7
174.03152	9.7
175.03922	100.0
176.04274	5.0
177.01884	0.4
179.05513	0.5
183.04337	0.4
183.10191	1.0
187.03911	1.1
187.11191	1.2
189.01854	0.6
189.09189	0.7
190.02638	4.0
191.03458	0.4
191.05547	0.9
200.04710	8.9
201.01874	2.7
205.05019	4.2
205.12286	0.9
209.11633	0.6
213.73970	0.4
223.06125	0.7
223.13326	2.7
227.03418	0.9
265.07068	0.5
267.12366	2.8
267.15085	0.3
283.13489	0.5
285.20630	1.0
291.06537	1.3
292.07248	0.6
293.04565	1.2
294.05283	5.1
307.06140	0.5
308.06836	1.0
309.07629	0.5
323.09323	0.7
333.07413	0.5
333.20508	0.5
336.06384	3.0
337.14893	0.5
347.16968	0.8
350.07565	1.2
351.08719	75.6
352.09058	8.4
369.15564	2.6
421.25003	0.5
429.17850	1.8
491.19983	0.6
495.29843	0.5
513.13849	8.1
513.22656	5.7
513.30621	0.6
514.14270	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	513.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45185	1.9
51.86641	2.2
53.79304	2.0
59.01252	39.3
59.89306	2.1
60.99162	2.9
61.98419	2.7
61.98702	25.0
63.99139	4.4
69.20866	16.7
69.21275	4.1
71.00900	2.6
71.01255	24.7
72.99164	2.5
73.02817	9.3
73.50530	2.1
75.00725	3.0
78.95761	4.5
81.03320	3.3
83.01257	4.6
85.02819	7.3
87.00733	4.8
88.98682	24.6
89.02325	17.8
89.64034	1.9
93.03344	13.4
96.95896	2.9
98.20555	5.4
101.02314	10.4
109.02840	2.5
111.04403	2.7
113.02328	6.8
119.03405	3.2
119.04893	8.7
121.68140	2.3
123.04407	4.0
125.02319	5.2
126.27232	2.0
134.03615	3.9
137.02374	11.4
137.09589	2.2
139.55511	2.0
143.10687	2.4
145.02872	4.9
151.07571	2.0
152.99487	5.0
155.03403	3.2
160.01553	3.6
161.02426	2.5
161.04439	4.7
163.03914	10.0
165.01817	3.5
167.03392	10.6
169.01279	2.5
173.02374	17.8
173.04468	30.4
174.03143	100.0
175.03918	50.3
177.05486	50.4
183.10178	9.7
189.01895	3.2
191.05486	3.4
193.04958	2.9
194.35010	2.1
201.11192	4.1
205.04938	2.4
209.11754	3.3
224.20801	2.1
240.06595	4.5
241.06856	2.4
241.40385	2.8
245.04356	5.5
271.02490	4.2
278.05850	2.3
279.07956	2.2
283.13364	4.7
285.20874	3.4
287.02164	3.0
299.01898	4.5
314.04294	7.5
315.01297	6.0
315.04773	4.0
321.19205	12.0
330.03775	13.1
331.04407	2.7
337.09302	13.3
349.09103	2.1
350.07492	5.6
351.08682	8.2
351.21927	4.7
436.18677	7.1
437.18976	8.5
453.23679	4.1
477.10358	20.8
478.10794	3.8
512.20886	2.5
513.13452	3.2
513.24530	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	511.2914
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.36308	0.4
57.03324	0.5
59.01257	2.0
61.98694	0.4
66.70284	0.4
70.84950	0.8
70.85283	0.7
71.01244	1.1
80.02531	1.1
81.03330	1.5
83.01286	0.4
83.04894	5.2
84.02030	1.0
89.02278	0.6
93.03334	1.6
95.04904	0.9
97.06496	0.6
109.06474	1.0
111.04414	0.7
113.02296	0.3
123.08044	0.8
125.05968	0.8
125.09619	2.7
135.08066	1.7
146.11072	0.4
149.09622	1.2
163.11177	4.4
165.12733	2.2
171.10179	33.6
172.10555	1.2
181.12234	0.6
183.47168	0.4
185.11797	1.9
191.10722	1.4
203.10548	0.4
203.14313	0.7
207.10225	0.7
209.11766	100.0
210.12117	5.4
221.11862	1.8
221.15553	0.7
223.13373	1.6
227.12801	8.6
229.12343	0.7
231.13866	0.9
247.13351	9.8
248.13611	0.7
249.14993	0.7
265.14404	3.0
321.16965	0.9
330.04996	1.1
331.22473	0.5
339.18356	0.7
345.09802	0.4
347.05490	0.6
348.05957	1.7
349.19980	0.5
357.20685	0.7
375.21695	1.2
375.25580	1.0
383.22009	0.5
401.23361	1.7
419.24371	1.1
431.24359	0.8
437.25427	0.7
449.25519	3.1
450.25507	0.6
457.25555	0.7
475.26862	4.2
476.27307	0.5
493.28387	2.4
494.28116	0.5
511.12115	0.8
511.29337	3.6
512.29785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40220	0.4
57.03295	0.8
59.01251	3.2
61.98692	1.4
62.67448	0.4
66.48170	0.4
66.58167	0.4
67.76998	0.4
71.01253	3.0
72.99185	0.6
73.02818	0.6
75.42165	0.4
80.02541	0.7
81.03329	1.6
83.01261	0.7
83.04897	5.9
84.02037	1.5
85.02832	1.2
89.02320	1.0
91.44226	0.4
93.03328	1.3
95.04922	1.1
97.02845	0.7
97.06456	1.3
99.00744	0.7
101.02325	1.5
109.06477	1.1
111.00787	0.5
113.02302	1.0
120.81847	0.4
123.08048	1.1
125.05975	0.5
125.09617	3.0
135.04489	0.5
135.08038	1.6
149.09669	0.9
153.09125	0.5
161.02391	0.7
161.04466	1.0
163.11203	4.2
165.12743	2.1
171.10178	32.6
172.10500	1.3
177.12849	0.5
179.87256	0.4
181.12286	1.0
185.11720	2.3
191.10614	1.1
202.34523	0.4
203.14294	0.6
207.10188	0.8
209.11769	100.0
210.12122	6.5
219.13751	0.4
221.11761	1.7
223.13351	1.6
227.12816	8.1
228.13359	0.5
229.12366	1.0
231.14008	0.9
237.14867	0.6
239.12869	0.5
247.13368	11.4
248.13708	0.5
249.14952	0.9
265.14383	3.3
267.10190	0.5
321.17105	0.5
331.22537	0.7
348.05426	0.5
349.06763	0.5
349.10855	1.0
357.20511	1.0
373.23828	0.7
375.21713	1.9
375.25739	0.8
379.21387	1.5
401.23282	1.5
419.24332	1.6
431.24442	1.0
437.25519	1.0
449.25494	3.5
450.25906	0.5
457.26050	0.7
475.27008	3.8
476.27261	0.7
493.27811	3.3
511.29172	4.5
512.09888	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	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18274	0.3
57.03322	1.2
59.01248	17.4
59.58883	0.3
60.01574	0.5
61.98695	4.4
71.01257	4.8
71.51286	0.4
72.99171	0.3
73.02804	1.1
75.00742	0.4
81.03292	0.4
83.01269	0.5
85.02804	2.1
87.00751	0.6
87.04385	6.2
88.04747	0.3
89.02312	1.3
93.03333	7.5
94.03690	0.4
95.01269	0.6
96.95895	0.3
99.00745	0.7
99.04391	0.5
101.02320	3.0
107.04903	0.5
108.02048	5.3
109.02809	1.2
111.00732	0.3
111.04434	0.4
113.02334	2.1
114.44479	0.4
117.03235	0.4
118.68781	0.3
119.03420	0.4
119.04923	1.4
120.99538	1.4
121.02874	0.6
121.06470	6.5
123.04416	4.0
124.01548	0.4
125.02332	1.3
125.05963	0.5
126.02633	0.3
133.02829	1.3
135.04416	1.1
137.02342	1.1
137.09639	0.5
139.03885	0.5
139.11185	1.6
143.03389	0.5
145.02882	0.4
149.05971	0.5
150.03178	0.5
151.00250	1.0
151.03918	0.4
152.01053	12.3
159.02988	0.5
160.01596	0.6
161.02390	3.6
161.04453	2.9
163.03877	0.5
165.05476	100.0
166.05803	4.9
167.03401	23.5
167.04880	0.5
168.00539	0.5
168.03729	0.9
169.01320	0.6
173.02303	0.6
173.04512	2.5
174.03168	0.4
174.04890	0.5
175.03815	0.8
175.05139	0.4
177.01822	0.9
178.99840	0.5
181.08591	1.0
183.02916	0.6
183.10152	1.9
189.01840	0.7
190.02652	0.6
191.05533	0.5
191.14305	0.6
193.01340	0.8
199.85788	0.4
201.11252	8.4
205.04861	0.4
207.06464	0.4
220.93283	0.3
240.04333	0.6
243.03024	0.4
260.91061	0.3
300.02585	0.8
301.03235	1.0
303.05353	0.4
307.06009	0.3
309.09778	1.3
327.10825	10.9
328.11258	0.6
331.19241	0.5
349.20078	2.1
354.03122	0.4
430.08838	0.5
431.09637	2.2
448.09653	0.9
463.08240	0.4
511.09338	0.7
511.25424	5.5
511.37296	0.4
512.26215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85576	0.3
57.03322	1.1
59.01254	1.4
61.98701	4.1
63.02258	0.3
65.00195	0.7
69.66158	1.0
69.66568	0.6
71.01263	0.8
72.29666	0.2
78.95795	0.4
81.03330	4.8
83.01247	2.8
83.04897	0.4
85.02789	0.5
87.00758	0.4
89.02325	0.5
93.03321	0.8
95.04913	1.1
97.02843	0.4
97.06519	0.2
98.19817	0.5
99.04443	0.3
107.01286	0.5
109.02823	0.4
113.02348	0.5
119.04964	0.3
121.02855	0.9
123.04405	29.9
124.04704	1.3
125.02349	5.3
131.01227	0.4
135.04396	0.6
137.02344	0.7
139.03915	0.7
145.02759	0.3
149.02350	1.1
149.06110	0.3
151.00255	1.4
151.03926	0.7
157.12274	0.3
161.02339	0.5
163.03957	1.2
165.01970	0.5
166.02548	0.4
167.03406	100.0
168.03745	3.9
173.02415	0.4
174.03142	0.4
175.00276	1.4
175.03830	0.6
179.03453	0.7
180.04106	0.3
181.05029	2.0
190.02638	0.4
191.03424	21.2
192.03763	1.0
201.16328	0.3
202.02675	2.2
203.03108	0.3
205.04951	0.7
209.04497	6.4
210.04883	0.5
217.10783	0.3
221.04489	0.9
233.04466	0.6
266.24863	0.3
271.02505	0.8
272.02814	1.3
299.01880	1.3
300.02350	2.7
314.04221	1.2
315.04727	3.6
316.05338	2.4
329.08746	1.8
331.05908	0.3
348.06161	0.8
349.20105	0.5
371.47501	0.3
435.13062	0.3
448.09650	6.1
449.09872	0.8
511.11926	0.8
511.18243	9.1
512.18695	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	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18274	0.3
57.03322	1.2
59.01248	17.4
59.58883	0.3
60.01574	0.5
61.98695	4.4
71.01257	4.8
71.51286	0.4
72.99171	0.3
73.02804	1.1
75.00742	0.4
81.03292	0.4
83.01269	0.5
85.02804	2.1
87.00751	0.6
87.04385	6.2
88.04747	0.3
89.02312	1.3
93.03333	7.5
94.03690	0.4
95.01269	0.6
96.95895	0.3
99.00745	0.7
99.04391	0.5
101.02320	3.0
107.04903	0.5
108.02048	5.3
109.02809	1.2
111.00732	0.3
111.04434	0.4
113.02334	2.1
114.44479	0.4
117.03235	0.4
118.68781	0.3
119.03420	0.4
119.04923	1.4
120.99538	1.4
121.02874	0.6
121.06470	6.5
123.04416	4.0
124.01548	0.4
125.02332	1.3
125.05963	0.5
126.02633	0.3
133.02829	1.3
135.04416	1.1
137.02342	1.1
137.09639	0.5
139.03885	0.5
139.11185	1.6
143.03389	0.5
145.02882	0.4
149.05971	0.5
150.03178	0.5
151.00250	1.0
151.03918	0.4
152.01053	12.3
159.02988	0.5
160.01596	0.6
161.02390	3.6
161.04453	2.9
163.03877	0.5
165.05476	100.0
166.05803	4.9
167.03401	23.5
167.04880	0.5
168.00539	0.5
168.03729	0.9
169.01320	0.6
173.02303	0.6
173.04512	2.5
174.03168	0.4
174.04890	0.5
175.03815	0.8
175.05139	0.4
177.01822	0.9
178.99840	0.5
181.08591	1.0
183.02916	0.6
183.10152	1.9
189.01840	0.7
190.02652	0.6
191.05533	0.5
191.14305	0.6
193.01340	0.8
199.85788	0.4
201.11252	8.4
205.04861	0.4
207.06464	0.4
220.93283	0.3
240.04333	0.6
243.03024	0.4
260.91061	0.3
300.02585	0.8
301.03235	1.0
303.05353	0.4
307.06009	0.3
309.09778	1.3
327.10825	10.9
328.11258	0.6
331.19241	0.5
349.20078	2.1
354.03122	0.4
430.08838	0.5
431.09637	2.2
448.09653	0.9
463.08240	0.4
511.09338	0.7
511.25424	5.5
511.37296	0.4
512.26215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.03320	2.8
59.01249	7.0
61.98698	1.2
68.80007	0.5
68.99677	0.7
69.68404	3.6
71.01252	28.0
72.99191	0.8
73.02817	8.2
75.00793	0.6
76.48882	0.6
79.05419	1.0
80.02536	3.3
81.03323	0.7
83.01254	3.2
85.02821	20.4
86.03625	2.0
87.00733	1.1
89.02328	2.1
93.03331	2.8
95.01257	2.8
95.04899	63.8
96.05257	1.4
96.95910	0.5
97.02830	1.1
99.00764	3.6
99.04411	1.9
101.02315	13.8
102.02673	0.8
104.21477	0.7
107.01331	0.6
108.02051	8.4
109.02850	6.6
113.02326	13.7
119.08547	18.6
120.08903	0.9
120.92680	0.7
120.99537	22.7
121.02841	2.1
122.03625	38.0
123.04411	34.5
125.02338	1.3
129.01839	0.6
133.02808	0.6
135.04408	2.1
137.02332	5.1
137.09607	1.0
139.00281	0.9
143.03410	1.7
145.63153	0.6
149.02393	0.7
149.05952	0.6
151.00208	0.5
155.10678	10.5
159.02919	2.5
161.02469	2.6
161.04449	22.2
162.04848	0.6
163.07545	7.3
165.05516	1.7
171.04414	0.8
173.04457	1.2
175.05087	0.8
177.05559	0.8
178.99686	0.8
179.03412	1.1
181.08615	100.0
182.08975	6.4
191.05701	1.1
199.09669	6.7
215.98470	0.6
271.02472	0.9
274.14246	0.6
285.09714	4.3
287.10440	4.2
293.08328	0.6
300.02655	1.6
329.08713	1.3
343.93402	0.6
408.72028	0.6
511.18039	27.7
512.18567	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	511.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	0.5
59.01247	2.6
61.40422	0.4
61.98702	1.0
67.01765	0.5
69.34090	1.3
69.34515	2.5
70.12966	0.4
70.64383	0.4
71.01253	4.3
72.99167	0.5
73.02808	0.9
75.00732	0.5
79.96252	0.4
83.01270	0.5
85.02820	2.8
87.00760	0.7
89.02317	1.1
93.03338	1.4
95.04902	8.0
96.95884	0.9
99.00765	0.7
101.02335	2.4
107.04943	0.4
108.02063	1.1
109.02836	1.9
113.02339	1.6
114.64565	0.5
115.00997	0.4
117.53429	0.5
119.04918	1.0
119.08546	2.0
120.99541	100.0
121.02838	1.3
121.99854	1.3
122.03630	3.1
123.00748	0.7
123.04429	5.2
124.04785	0.5
125.02309	1.3
125.57716	0.4
126.83318	0.4
133.02837	1.0
134.03716	0.5
135.04416	1.1
137.02376	0.7
137.09532	0.5
137.97162	0.5
138.91158	0.4
151.00299	0.5
152.01054	1.2
153.01814	0.6
155.10703	1.3
160.01587	0.7
161.02422	3.8
161.04477	2.4
163.03940	0.6
163.07571	1.5
165.00060	0.5
165.05461	0.9
169.01361	1.3
173.04494	2.9
175.03951	1.1
177.05440	0.4
179.03389	0.7
181.08621	13.5
182.08925	0.7
191.03459	0.5
191.05537	1.5
192.99532	0.6
199.09668	0.9
211.04218	0.5
241.05397	1.0
255.02948	0.6
271.02420	1.0
285.09894	0.6
287.09915	0.8
300.02737	1.1
439.40128	0.6
463.08768	0.7
511.17322	4.8
511.24573	0.4
512.19073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
59.49270	0.2
61.98693	1.2
63.75191	0.2
69.49372	0.7
69.49802	1.0
71.01236	1.0
73.02830	0.3
74.98969	0.2
85.02802	0.6
87.04412	0.3
93.03333	0.6
95.01211	0.3
95.04901	2.3
98.19772	0.2
101.02324	0.5
102.10656	0.3
102.39611	0.2
105.55659	0.2
108.02050	20.5
109.02303	0.3
109.02898	0.2
111.04433	0.2
113.02280	0.3
119.08537	0.5
120.99527	0.3
121.02808	0.2
121.06472	0.4
123.00766	0.2
123.04406	11.4
124.01530	0.2
124.04736	0.5
125.02315	0.6
133.02798	0.5
135.04413	0.4
136.10736	0.2
137.02330	0.4
139.03928	0.3
145.02907	0.3
151.00273	0.3
152.01051	47.8
153.01366	2.0
161.02350	1.3
161.04445	0.4
165.01871	0.6
165.05470	3.6
167.03404	100.0
168.03740	4.5
168.05099	0.4
169.01445	0.3
173.70796	0.2
174.03149	0.4
175.03914	0.5
179.03456	0.3
181.08614	4.1
191.05446	0.2
193.01332	0.2
199.09625	0.2
245.35956	0.2
287.05469	0.3
300.02426	0.3
301.03424	0.4
302.03909	0.3
329.08865	0.4
413.08841	0.3
431.10016	0.7
449.10156	0.2
511.10303	0.3
511.18353	1.4
512.19067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93249	0.5
57.03312	1.1
58.52597	0.6
59.01262	3.7
61.98692	1.7
69.35613	5.2
71.01252	6.6
72.69118	0.7
73.02813	2.4
85.02824	5.8
87.00769	1.0
89.02292	1.2
90.76066	0.6
93.03342	2.1
95.04900	16.4
97.50437	0.7
101.02300	3.6
101.25264	0.7
108.02048	2.3
109.02841	2.3
113.02324	3.7
117.03397	0.6
118.25137	0.6
119.04916	0.8
119.08554	4.6
120.99541	100.0
121.99895	1.4
122.03628	8.0
123.04407	9.4
125.02306	1.6
125.40924	0.7
133.02832	1.5
135.04379	1.2
137.02379	1.4
151.00302	0.8
152.01068	1.2
153.01888	1.0
155.10664	2.6
160.01563	0.8
161.02388	4.2
161.04449	5.4
163.03923	0.7
163.07526	1.8
165.01820	0.7
165.05447	1.4
173.04465	2.7
174.06995	0.7
175.03908	1.6
177.01808	0.6
181.08629	22.9
182.08914	1.2
191.05617	1.7
192.99657	1.2
195.06647	0.8
199.09685	1.4
241.05190	1.4
255.02959	1.0
257.04526	0.7
271.02420	1.4
287.10388	1.6
300.02652	0.8
301.03500	1.6
463.09088	1.0
501.30457	0.7
511.17435	8.3
512.18719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34329	0.4
57.03321	0.4
59.01253	4.6
60.97406	1.5
61.77143	0.5
61.86740	0.4
61.98706	3.0
63.69683	0.4
63.96112	1.7
65.40776	0.4
69.03322	0.4
69.64611	2.6
71.01247	9.3
72.99185	2.2
73.98188	4.5
74.98969	89.6
75.99314	1.1
83.01313	0.5
85.02833	1.1
87.00745	1.0
89.02315	1.5
93.03338	1.3
95.01285	0.7
99.00747	0.8
101.02339	1.2
108.02063	0.8
109.02840	1.6
111.00774	1.3
113.02361	1.2
117.97190	0.6
120.99603	1.0
121.02863	0.6
122.74091	0.5
123.00784	1.5
123.04420	0.7
124.01561	0.9
125.02357	3.7
133.02792	0.5
134.03656	0.7
135.04379	0.9
135.98236	2.3
136.99040	100.0
137.99377	0.9
139.00304	1.2
149.02315	0.5
149.99484	1.3
151.00252	1.3
151.03918	0.8
152.01024	0.6
153.01825	0.9
159.04361	0.5
160.01561	1.1
161.02365	1.3
161.04471	1.0
166.00839	1.0
166.99783	0.9
167.03409	0.7
168.00606	2.8
169.01306	0.7
173.04469	1.1
175.03951	1.8
178.99802	0.8
181.01515	0.6
181.03185	0.9
185.11833	0.8
187.04005	0.8
190.02676	0.7
191.05522	1.3
193.01407	0.6
195.06566	3.3
205.01295	0.6
229.01364	0.7
243.03232	0.5
259.02530	0.6
275.01923	0.6
287.01852	1.1
290.87045	0.4
301.00116	0.7
301.03473	0.9
303.01492	0.8
319.17590	4.1
331.01144	0.7
343.12155	0.8
421.67361	0.5
437.06274	0.5
451.21704	2.3
511.10925	5.4
511.17535	0.8
511.25018	0.6
511.31561	0.5
512.11194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70906	0.6
55.79539	0.6
59.01245	3.1
60.21323	0.6
61.98704	23.8
69.36172	2.3
69.36596	3.6
71.01241	1.0
80.79115	0.7
80.82185	0.7
85.02850	0.8
87.09368	0.8
87.85956	0.6
89.02303	1.3
93.03362	1.0
101.02310	0.9
121.02862	0.7
123.04410	0.7
127.07519	0.7
131.04893	4.5
139.04008	0.8
145.02861	1.0
147.04451	1.4
161.02411	1.4
173.02388	4.0
174.03133	21.1
175.03925	100.0
176.04242	4.7
189.01854	1.9
190.02731	0.7
215.03377	0.7
248.04787	1.1
257.06085	2.2
264.04367	1.2
271.02518	1.5
272.02829	3.7
276.04163	3.3
277.05048	19.1
278.05441	1.4
285.05582	10.6
286.06302	0.9
299.01935	2.7
300.02216	6.3
301.05090	7.6
302.05554	1.6
303.06592	2.2
304.03815	1.0
305.04572	9.0
313.05103	14.0
314.04514	4.5
315.04694	8.6
316.05392	5.0
317.04462	5.4
320.06964	1.3
329.04520	6.0
330.05331	9.7
331.06088	26.4
332.06348	3.2
335.41672	0.6
337.09357	6.0
347.05524	0.9
348.06375	62.8
349.07083	37.4
350.07495	2.8
391.08206	4.8
403.07962	0.8
436.43179	0.7
448.09641	12.3
449.09805	1.2
489.56857	0.7
491.20584	0.8
511.12384	21.5
511.19617	0.9
512.12860	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	511.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32446	0.5
57.03324	0.7
59.01253	3.6
60.12077	0.5
61.98701	8.9
66.25407	0.5
69.26735	1.2
69.27151	3.7
71.01264	1.6
81.03374	0.6
89.02294	0.9
90.74677	0.5
93.03345	0.9
95.04902	0.6
96.47980	0.5
98.20613	0.8
99.00734	0.6
101.02324	0.6
107.04934	0.5
123.04403	5.0
125.02334	0.8
131.04915	4.4
134.19295	0.5
137.51363	0.5
145.02843	1.5
147.04373	1.2
149.02232	0.7
157.02789	0.6
158.03642	1.5
161.02353	1.3
161.09172	0.6
165.09149	0.8
167.03409	16.9
171.04352	0.6
173.02386	2.7
174.03134	18.4
175.03917	100.0
176.04257	5.5
183.10204	1.1
189.01855	2.3
191.03384	2.9
202.02635	11.8
203.03122	0.9
209.04361	0.9
217.05011	1.1
248.04576	1.3
257.06058	2.2
272.02744	0.5
276.04285	2.5
277.05020	15.5
278.05383	1.1
285.05566	10.0
286.06140	1.3
300.02457	0.9
301.05087	7.0
302.05627	1.1
303.06543	3.0
304.03732	1.9
305.04532	8.9
313.01410	0.6
313.05060	12.5
314.05359	2.3
315.04660	2.2
317.04440	4.0
320.06808	1.0
329.04565	5.2
329.08282	0.9
330.05295	8.5
331.06082	27.9
332.06424	2.6
337.09247	5.9
347.05658	1.4
348.06360	67.4
349.07071	42.9
349.13400	0.7
350.07605	4.9
361.07144	0.7
365.08710	0.9
391.08148	3.6
392.08209	0.6
403.08347	1.0
448.09891	2.4
511.12338	29.3
511.18594	1.3
512.12408	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67155	0.1
53.95152	0.1
55.01743	0.2
58.00453	0.2
58.99825	0.1
59.01245	3.7
61.98691	0.3
68.99679	0.5
69.25981	0.3
69.26402	0.9
71.01245	2.2
72.99171	2.2
73.02813	0.3
73.70630	0.1
75.00741	22.1
75.24200	0.1
76.01060	0.3
83.01239	0.1
85.02822	0.5
87.00762	0.5
89.02315	4.2
90.02692	0.1
93.03345	0.3
96.99178	0.5
99.00764	0.3
101.02310	0.7
111.00784	0.2
113.02323	0.4
115.64656	0.1
117.01826	1.5
117.74055	0.1
120.08180	0.1
120.99547	0.8
123.00809	0.3
123.04405	0.2
124.01541	0.1
125.02329	1.8
129.01825	0.1
135.02881	100.0
136.03227	2.2
136.99046	0.2
139.00252	0.2
147.04468	0.2
151.00310	0.2
151.03915	0.4
153.01825	0.2
157.02850	0.6
159.04422	0.4
161.00996	0.2
161.02338	4.5
161.04434	0.3
163.03902	0.8
166.99849	0.1
168.00543	0.3
169.01317	1.5
169.92854	0.1
171.04416	0.4
173.02357	0.6
173.04498	0.2
174.03139	0.9
175.03891	0.5
183.02924	0.3
183.04395	0.2
184.10564	0.1
187.03917	10.7
188.04272	0.6
191.05569	0.3
193.04877	0.2
195.04434	0.2
199.03915	0.5
201.01926	1.4
201.05440	0.5
201.11223	0.2
202.02621	0.4
203.03346	0.7
204.04160	0.2
210.05219	0.2
211.04060	0.3
213.01857	2.1
213.05424	0.3
214.02606	1.5
215.03407	1.6
216.04066	0.2
218.02118	0.2
223.03897	0.2
227.03423	0.4
229.01340	0.3
229.04974	0.3
231.02931	5.9
232.03571	1.1
233.04482	0.3
239.03531	0.2
243.02959	0.5
255.02884	0.2
257.04608	0.3
259.02493	0.6
261.07346	0.2
267.10837	0.5
271.02359	1.4
272.02734	0.2
273.60019	0.1
287.05530	0.2
331.04599	2.6
332.05331	0.2
333.19278	0.2
348.04944	0.2
349.05637	1.4
363.07281	0.3
381.08197	0.2
393.08249	0.6
395.09827	0.3
451.21774	0.2
464.64804	0.1
511.15320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72122	1.1
59.01247	49.0
61.98697	6.6
65.00187	3.4
69.03320	2.9
71.01249	12.6
71.50165	1.2
71.50548	1.7
71.82269	1.2
72.99191	1.3
73.02808	2.5
74.98965	10.5
75.00753	1.5
75.84095	1.4
81.03313	6.0
83.01259	2.3
83.04907	12.1
85.02813	3.8
87.00746	1.9
89.02314	5.3
93.03331	1.4
95.01260	5.3
96.95930	1.3
96.99181	1.6
97.02833	3.1
99.00785	5.9
101.02313	5.8
107.01272	3.1
107.30294	1.1
108.02061	1.8
109.02840	10.0
111.00745	6.9
113.02319	4.1
119.03389	2.4
119.04881	1.7
120.99532	1.6
121.02844	5.8
123.00780	9.5
123.04414	2.3
124.01564	9.7
124.98726	1.6
125.02338	21.4
131.03397	1.6
131.04863	1.5
133.02820	2.7
134.03535	3.0
135.04358	2.4
136.99055	15.2
137.02339	6.9
139.00272	11.3
139.03859	2.3
141.01891	2.2
143.04869	2.0
145.02834	2.1
147.04428	4.6
149.02347	4.4
149.04439	2.2
149.99503	13.6
151.00288	10.1
151.03723	1.3
152.01041	3.0
153.01813	3.5
154.99751	11.5
155.03362	2.0
157.02811	1.3
159.04404	2.8
160.01537	7.8
161.02357	7.8
161.04434	2.7
163.00252	4.2
163.03879	2.4
164.01067	1.4
164.98196	2.5
165.01830	5.6
165.05511	1.6
165.99034	1.5
166.99753	10.5
168.00545	19.4
169.01381	9.0
171.04338	2.2
173.02281	1.5
173.04453	2.3
174.03093	1.7
175.03941	13.9
176.01143	1.6
176.04465	1.3
177.01842	7.2
178.99796	9.5
179.03415	1.2
181.01385	6.9
182.02025	1.4
183.02846	1.5
184.00044	3.5
185.11726	2.9
185.89780	1.3
187.03902	5.4
187.09698	1.8
189.01871	3.8
190.99770	2.5
191.03462	2.8
191.05472	2.8
192.00587	2.6
193.01306	4.3
193.05009	4.2
194.99199	4.8
195.02745	1.4
195.06450	1.7
197.04440	2.9
199.04103	1.8
201.01892	2.7
202.02635	1.9
203.03401	6.0
205.01381	3.5
205.04884	1.6
206.99348	2.2
209.00787	2.2
213.01770	1.3
214.02626	1.4
215.03406	7.2
217.01364	2.4
219.02879	2.9
224.17625	2.3
225.16003	7.9
227.03537	1.3
229.01366	3.3
230.02034	3.3
231.02965	8.9
233.04549	1.6
235.02621	1.6
235.06088	4.9
242.01906	1.4
243.02975	6.5
245.00766	2.3
247.02377	3.7
248.03146	1.6
255.03017	1.6
257.01019	2.0
258.01660	1.6
259.02417	13.3
261.00525	1.4
261.03870	1.8
265.07260	1.8
267.32462	1.3
269.00772	1.9
271.02359	3.9
273.00397	1.3
275.01965	7.1
283.10739	1.3
285.00482	1.3
286.00992	1.3
287.01990	27.9
287.05054	1.0
288.02390	2.3
300.02704	5.8
301.03519	4.0
302.00732	2.1
303.01437	11.4
304.02087	2.5
305.03012	5.7
312.99777	3.8
315.01440	11.6
316.01917	3.1
317.02808	2.1
319.17465	7.7
331.00925	26.4
332.01254	2.6
333.22824	1.6
335.13412	5.8
341.08698	2.6
343.06381	3.8
349.01895	6.6
355.06741	5.9
357.08249	3.8
359.06021	1.9
371.06186	2.9
375.05591	11.3
375.09564	1.7
433.31812	5.1
437.07047	4.7
439.08725	4.5
451.32901	100.0
452.33286	1.6
463.08505	2.3
465.06769	2.0
467.08142	5.3
478.07480	2.0
481.09607	2.1
485.50601	1.5
493.05750	7.5
511.10623	42.7
511.18204	12.1
512.11914	7.7
512.18030	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	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
61.98700	100.0
65.90943	0.7
71.01254	1.1
71.51292	1.2
73.02792	0.8
77.63934	0.8
85.23146	0.7
89.02341	0.8
89.44915	0.7
102.41138	0.8
108.02089	0.8
109.02844	2.2
121.02818	3.4
135.04434	0.8
137.02396	0.7
161.02351	3.5
165.01828	11.8
166.02197	1.0
173.02357	1.1
174.03168	1.9
175.03925	10.4
193.01392	2.3
199.03868	0.9
202.02676	3.7
215.03432	0.7
224.39859	0.7
226.02853	0.8
227.03476	2.4
243.03050	3.3
254.02226	1.6
255.02934	2.7
265.72354	0.7
269.04590	1.0
271.02469	38.3
272.02817	4.8
277.05215	1.3
287.05685	1.0
299.01953	54.1
300.02557	13.8
305.04593	1.6
313.05176	1.8
314.04303	59.0
315.05078	66.4
316.05386	6.8
329.04492	1.5
331.06274	3.3
336.06140	1.2
348.06335	7.8
349.07150	3.8
447.09290	85.6
448.09665	13.8
511.12781	4.4
511.21906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96849	0.2
59.01247	1.8
61.98700	100.0
69.43850	2.0
70.07087	0.2
71.01277	1.2
73.02819	0.4
85.02833	0.6
89.02333	1.0
99.04406	1.6
101.02364	0.8
106.06973	0.2
109.02821	0.3
111.04404	0.3
111.08038	0.4
113.02358	0.6
113.90185	0.2
118.15267	0.2
119.03425	0.2
123.08013	0.3
125.02370	0.5
131.04938	0.7
135.04466	0.4
137.02364	0.3
137.09613	0.7
145.02820	0.4
151.93111	0.3
157.12262	0.5
161.02275	0.4
173.02386	0.6
174.03117	4.0
175.03922	19.2
179.41879	0.2
181.08652	0.4
183.10216	0.8
189.01828	0.5
190.02650	0.4
193.15845	0.4
202.02573	0.3
215.03496	0.3
257.06049	0.2
270.99332	0.3
271.02579	1.0
276.04404	0.6
277.05103	2.8
285.05621	1.7
287.20206	0.4
298.99008	0.3
299.01810	1.1
301.05151	1.2
303.06586	0.5
305.04636	1.8
313.05124	2.0
314.04330	1.3
315.05112	1.7
317.04645	0.6
329.04507	2.0
330.05234	2.2
331.06097	5.5
331.18958	0.3
337.09464	0.8
345.15671	0.3
347.05402	1.9
348.06320	12.8
349.07181	6.8
349.11407	0.4
349.20154	4.3
391.08286	0.8
434.17453	0.9
447.09372	2.6
448.09885	0.4
478.16190	0.6
510.19226	0.4
511.12360	4.4
511.20941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39807	0.2
59.01246	0.4
61.98701	100.0
64.15883	0.2
66.42277	0.2
67.84576	0.2
71.01243	0.4
71.28541	0.3
72.91002	0.2
74.13389	0.2
74.16395	0.2
89.02325	0.3
92.82716	0.2
98.99903	0.2
161.02388	0.2
174.03142	0.3
293.08060	0.4
346.04755	0.3
347.05353	0.3
450.23187	0.5
456.48148	0.2
483.38068	0.2
528.39703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
61.98700	100.0
65.90943	0.7
71.01254	1.1
71.51292	1.2
73.02792	0.8
77.63934	0.8
85.23146	0.7
89.02341	0.8
89.44915	0.7
102.41138	0.8
108.02089	0.8
109.02844	2.2
121.02818	3.4
135.04434	0.8
137.02396	0.7
161.02351	3.5
165.01828	11.8
166.02197	1.0
173.02357	1.1
174.03168	1.9
175.03925	10.4
193.01392	2.3
199.03868	0.9
202.02676	3.7
215.03432	0.7
224.39859	0.7
226.02853	0.8
227.03476	2.4
243.03050	3.3
254.02226	1.6
255.02934	2.7
265.72354	0.7
269.04590	1.0
271.02469	38.3
272.02817	4.8
277.05215	1.3
287.05685	1.0
299.01953	54.1
300.02557	13.8
305.04593	1.6
313.05176	1.8
314.04303	59.0
315.05078	66.4
316.05386	6.8
329.04492	1.5
331.06274	3.3
336.06140	1.2
348.06335	7.8
349.07150	3.8
447.09290	85.6
448.09665	13.8
511.12781	4.4
511.21906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76091	0.2
59.01254	0.9
61.98701	100.0
62.98450	0.3
62.99138	0.2
68.42265	0.3
68.49467	0.3
70.07004	0.2
71.01260	0.4
71.28556	0.5
86.02361	0.4
87.00768	0.8
91.93445	0.3
101.02335	0.3
121.02848	0.3
133.02786	0.3
135.04465	0.3
137.02304	0.4
142.98015	0.3
161.02365	0.4
165.01894	0.4
175.04062	0.2
181.04965	0.2
190.02672	0.2
205.05103	0.3
270.98941	0.2
299.99121	0.3
325.09805	0.2
329.04678	1.0
330.04956	1.3
346.04572	0.3
347.05362	1.2
352.31940	0.3
423.14764	0.4
450.23074	0.4
511.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.8
60.29727	0.2
61.01685	0.4
61.98701	100.0
68.61768	0.3
69.46046	1.5
69.46458	0.5
71.01260	1.1
73.02818	0.5
85.02823	0.4
89.02337	0.4
89.39854	0.2
95.04845	0.2
98.19782	0.2
101.02322	0.9
113.02329	0.5
114.69955	0.2
117.03357	0.4
123.04424	0.7
127.02699	0.2
131.03389	0.9
132.03722	0.4
133.03844	0.4
139.18085	0.2
145.02896	0.8
160.01654	0.3
161.02351	5.1
162.04860	0.3
163.03873	0.5
173.02347	1.3
174.03091	0.6
175.03937	0.5
181.08627	0.4
183.04462	1.2
185.09245	0.2
187.03883	0.6
235.06107	0.3
245.06163	0.3
257.06146	0.5
273.05417	0.3
274.06329	0.5
275.07074	0.4
285.05554	1.2
301.05048	1.4
302.05710	0.6
303.06506	2.5
304.07007	0.4
311.70883	0.2
313.05176	0.4
315.18018	0.4
316.18433	0.6
317.18570	0.6
318.05176	0.3
318.19003	1.0
319.06039	1.0
329.04526	18.8
330.05182	7.3
331.06049	2.6
342.05328	0.7
343.06116	0.9
345.03989	0.4
346.04611	2.1
347.05539	30.7
348.06290	16.5
348.10812	0.4
349.07111	0.9
359.05682	0.6
360.06387	1.0
361.07083	1.5
450.23376	0.4
510.11664	8.2
511.12067	1.8
511.18872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91041	0.1
55.01759	0.3
57.03341	0.2
59.01249	5.6
60.01579	0.9
61.01682	0.5
61.98700	100.0
71.01254	2.8
71.37846	0.2
72.01585	0.6
73.01678	0.2
73.02805	0.9
75.00770	0.2
83.01266	0.3
85.02819	1.4
86.03155	0.3
89.02304	0.6
91.02768	0.2
93.03365	0.2
95.01259	0.3
95.04912	0.4
99.00745	0.3
101.02319	1.7
102.02662	0.5
103.02739	0.4
112.82740	0.2
113.02336	1.1
114.02696	0.4
117.03364	0.7
119.03378	0.2
119.90361	0.2
123.04411	0.8
125.02328	0.2
131.03404	2.3
132.03757	0.8
133.03847	0.6
145.02866	1.4
149.88164	0.2
153.55637	0.2
159.02884	0.2
159.90984	0.1
160.01512	0.3
161.02345	7.6
161.04356	1.1
162.04785	0.3
163.03781	0.7
163.05054	0.2
165.05482	1.1
166.05774	0.3
173.02341	2.1
174.03096	0.7
175.00114	0.2
175.03923	0.4
181.08572	0.8
182.09044	0.3
183.04440	1.4
187.03941	0.7
196.77911	0.2
199.03886	0.2
205.05147	0.2
211.04051	0.4
245.06090	0.4
246.06839	0.2
247.07567	0.3
257.06165	0.2
273.05573	0.6
274.06360	0.8
275.07056	0.9
285.05554	2.3
286.06192	0.7
290.05850	0.2
295.08246	0.2
300.04361	0.3
301.05084	2.1
302.05722	1.1
303.06552	4.1
304.07138	0.4
313.05072	0.3
315.18085	1.4
316.18478	1.6
317.04550	0.3
317.18655	2.5
318.05170	0.3
318.18939	1.1
319.06183	0.9
329.04526	27.3
330.05176	8.9
331.06082	3.2
342.05289	1.3
343.06055	1.1
345.04080	0.4
346.04648	3.5
347.05530	42.7
348.06256	18.3
348.10760	0.4
349.07092	0.8
359.05765	0.8
360.06317	1.5
361.07172	1.5
447.08939	0.2
447.21823	0.2
449.22980	0.8
450.23044	0.6
507.44110	0.2
510.11630	11.9
511.12073	2.9
511.18689	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46910	1.3
61.98704	54.6
65.00227	1.5
78.67364	1.5
83.73724	1.3
89.02332	1.5
98.20583	3.4
101.02353	1.6
121.02834	4.3
165.01857	13.2
175.03908	3.2
202.02600	12.4
215.03387	1.4
229.45885	1.8
243.02946	3.9
252.38902	1.4
255.02951	2.7
271.02463	30.7
272.02863	4.3
298.00812	1.3
299.01968	57.5
299.05362	3.3
300.02667	11.5
314.04324	57.4
315.05078	72.0
316.05298	4.8
425.59592	1.5
447.09314	100.0
448.09610	15.4
511.12744	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94762	0.8
59.01257	2.2
61.86498	0.8
61.98703	39.7
64.19974	0.8
67.38815	0.8
69.67729	5.6
71.01258	2.0
71.01647	0.9
78.42897	0.9
85.02793	0.9
89.02351	1.0
91.16994	0.9
101.02294	0.9
109.02837	2.5
109.39460	0.9
121.02833	3.7
145.02879	1.2
151.00290	1.2
152.55492	0.8
152.56735	0.9
157.37675	0.8
161.02252	0.9
163.00247	0.9
165.01834	8.8
165.90503	0.8
167.43170	0.9
173.02328	2.3
175.03938	4.1
193.01443	1.5
199.06143	0.9
218.23672	0.9
226.02736	1.4
227.03314	1.7
227.23328	0.8
243.02939	3.5
254.02148	1.7
255.02963	1.5
259.05835	0.9
265.18576	0.8
269.04468	1.8
271.02472	44.2
272.02847	3.6
273.03583	1.0
285.04019	2.8
295.75854	0.9
299.01944	73.6
300.02527	14.5
314.04294	76.5
315.05032	53.8
316.05386	3.7
317.91287	1.1
347.05402	1.6
348.06540	1.4
349.07391	1.1
447.09293	100.0
448.09644	12.1
510.26743	0.9
511.12238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83072	1.1
71.29583	1.3
78.95772	19.9
93.77251	1.0
96.96799	1.5
98.29395	1.1
106.87099	1.2
152.99483	34.8
184.99211	1.0
227.03223	4.1
245.04491	1.4
281.24841	100.0
282.25195	8.2
369.04901	1.1
509.28815	52.3
510.29153	7.3
526.22748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66930	0.6
58.13689	0.6
59.01245	0.7
61.98702	12.7
65.00204	1.4
69.36079	4.2
69.36502	1.6
98.19807	1.3
107.01264	2.0
108.02058	0.8
109.02836	1.3
114.35175	0.6
116.14571	0.6
119.04934	7.0
120.05248	2.1
120.99539	7.8
121.02837	1.6
124.01533	0.7
151.00267	8.3
152.00743	0.7
163.00293	1.8
163.03914	8.5
164.04214	3.1
178.99812	4.9
183.04436	0.6
211.03995	1.0
227.03413	1.5
229.04971	0.7
243.02985	4.0
245.04477	1.1
254.02161	0.8
255.02975	11.1
256.03265	0.7
271.02472	22.2
272.03052	2.0
273.03979	1.0
283.02451	1.3
300.02740	61.9
301.03479	50.1
302.03876	3.4
303.62933	0.7
447.09311	100.0
448.09674	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64032	0.7
53.76508	0.8
55.01751	1.9
57.03314	2.2
58.00463	0.8
59.01249	100.0
60.01578	0.9
61.98703	12.1
63.64647	0.7
65.38744	0.8
69.03320	1.0
71.01251	23.4
71.51008	1.1
72.99171	2.4
73.02811	8.5
74.28748	0.8
75.00735	1.0
80.96396	1.3
81.03327	1.1
83.01256	5.0
85.02820	12.5
87.00743	2.3
87.04386	22.8
89.02332	4.8
95.01250	3.0
97.02806	1.3
97.06469	1.1
99.00744	3.7
101.02313	24.5
108.02038	5.6
109.02838	4.3
111.00761	0.9
113.02318	7.9
120.99152	1.5
123.00787	1.0
123.04414	1.2
125.02340	2.4
130.64136	0.9
131.03387	23.1
132.02095	1.0
134.03656	1.6
135.04437	2.9
137.02344	4.5
143.03378	1.8
149.04376	1.1
151.00291	1.6
151.03915	1.2
159.02859	0.9
160.01576	3.4
161.02394	1.5
161.04449	6.7
163.03917	0.9
167.03394	2.9
169.01413	1.0
171.10188	0.9
175.03947	4.9
175.09711	0.8
181.04970	2.5
185.02229	1.0
187.03966	0.9
201.01897	0.9
209.11871	0.9
225.14778	1.6
229.05107	1.2
257.04510	46.3
258.04846	3.3
272.06891	23.8
273.07275	1.4
285.05438	2.3
287.09235	48.5
288.09521	3.6
300.99747	1.1
301.05145	5.5
302.05383	1.2
317.04675	0.9
317.19659	61.3
318.20181	3.9
319.05893	1.1
329.04547	26.2
330.05023	6.1
341.23077	4.7
345.03943	2.4
346.04697	9.3
347.05527	29.7
348.05923	4.2
411.10446	1.2
421.20670	2.0
449.23822	10.7
450.23773	0.9
509.11011	11.6
509.24393	5.2
509.35141	0.8
510.11533	1.8
510.24069	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	509.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.3
59.01244	0.6
60.45412	0.2
61.98691	0.3
69.49475	0.4
69.49885	0.8
71.01255	0.2
72.99191	0.2
73.02789	0.3
75.00741	0.5
85.02810	0.3
87.04398	0.3
89.02331	0.2
93.03320	0.9
95.01273	0.2
96.95891	0.4
98.19898	0.3
101.02304	0.5
101.08823	0.2
109.02832	0.2
113.02376	0.2
117.03371	0.4
119.04918	100.0
120.05249	3.4
120.06047	0.3
121.02833	0.2
121.44212	0.1
122.31971	0.2
123.04449	0.2
133.02838	0.2
135.04408	0.5
137.02388	0.2
139.11205	0.2
145.02850	1.5
147.04388	0.2
161.02353	0.7
161.04453	0.2
163.03923	92.6
164.04259	4.0
164.86955	0.2
165.01826	0.3
165.05518	0.2
175.03935	1.0
176.04205	0.2
179.03415	0.6
181.04031	0.2
183.10283	0.2
190.02643	0.3
201.11208	0.4
205.05013	0.4
206.05310	0.2
307.08200	0.6
325.09222	1.3
332.04968	0.2
346.04855	0.3
347.05576	0.3
363.16760	0.2
391.26895	0.3
509.20441	4.5
509.28198	0.3
510.20517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01244	2.2
59.28646	0.3
61.98700	6.4
65.00194	0.6
67.64735	0.3
69.42458	2.8
69.46490	0.4
71.01243	1.1
71.59756	0.3
73.02822	0.5
74.41136	0.3
74.98983	0.3
83.01270	0.8
85.02821	1.0
85.92699	0.4
87.04396	0.6
89.02305	0.4
93.03333	1.4
98.19844	0.6
101.02309	0.8
107.01271	1.1
109.02818	1.0
111.00756	0.3
119.04912	86.2
120.05247	3.3
120.99539	19.9
121.02857	1.0
121.99924	0.4
123.00766	0.5
124.01506	0.4
125.02318	0.7
133.02855	0.7
135.00807	0.4
137.02361	0.5
137.05971	0.4
139.11107	0.4
145.02785	0.3
148.01486	0.4
151.00273	5.4
160.01566	0.4
161.02362	1.6
163.03914	100.0
164.04269	5.1
165.05522	0.4
168.00758	0.3
169.01350	0.9
173.04463	0.6
175.03903	1.3
177.01863	0.6
178.99779	3.1
181.04994	0.7
191.05470	0.7
194.00980	0.4
199.03867	0.4
201.11317	0.4
211.04004	0.5
227.03462	1.1
229.04976	0.6
235.06184	0.6
239.03542	0.4
243.02994	2.4
245.04437	0.9
254.02209	0.5
255.02963	8.9
257.04553	0.4
260.93048	0.3
271.02466	16.0
283.02374	0.8
299.02151	0.6
300.02731	31.9
301.03513	21.2
335.05496	0.4
391.26770	0.5
447.09286	49.7
463.21832	0.6
509.16998	0.7
509.21408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33385	0.6
57.03320	1.8
59.01249	100.0
60.01583	1.3
61.98703	7.2
62.63820	0.6
64.99296	0.6
66.72791	0.7
69.03323	0.9
69.17524	7.7
69.50011	0.6
71.01252	14.1
72.99191	1.8
73.02822	6.0
80.70969	0.7
80.96373	0.7
81.03371	0.9
83.01244	4.0
85.02822	9.8
87.00782	1.4
87.04388	18.4
89.02319	2.1
94.97963	0.7
95.01278	3.1
97.02863	1.5
97.99980	1.6
99.00777	2.0
101.02322	15.0
107.01234	0.6
107.04897	0.7
108.02036	6.7
109.02854	5.2
111.00753	0.9
113.02332	5.2
120.99209	2.3
123.00789	1.0
125.02309	1.1
127.47590	0.6
131.03389	12.6
135.04413	2.6
137.02351	5.5
143.03371	0.7
144.20486	0.6
149.99503	0.6
151.00301	2.8
159.02968	1.0
159.04384	0.7
160.01585	1.8
161.02344	3.3
161.04408	4.0
162.52808	0.7
163.03815	0.9
165.01756	0.7
173.02344	1.3
174.03102	1.0
175.02448	0.8
175.03903	2.4
176.04208	0.7
183.04512	0.8
185.02306	1.0
201.01883	1.2
225.14906	1.3
229.05009	1.4
257.04510	59.8
258.04932	4.3
272.06879	32.3
273.07202	2.3
275.06970	0.7
285.05551	5.4
287.09241	63.8
288.09515	5.5
300.04218	1.0
301.05057	8.6
302.05334	1.5
303.06628	1.3
317.04568	1.0
317.19656	34.2
318.05276	1.0
318.20053	1.8
329.04544	51.3
330.05090	11.3
331.05640	1.0
341.23358	2.9
345.04059	1.9
346.04761	8.3
347.05573	54.1
348.05893	6.0
360.28427	2.9
361.28796	1.3
421.20670	0.8
449.23712	5.5
450.24579	0.8
509.10861	27.0
509.18304	1.4
509.25577	2.8
509.34778	1.1
510.11328	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	509.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50447	0.5
55.01765	1.1
57.03339	0.6
59.01251	9.0
61.98702	2.1
65.00184	1.0
65.99317	0.5
67.01766	0.7
68.99704	1.0
69.03336	0.9
69.20477	5.4
71.01248	11.6
71.01617	0.7
72.99172	1.0
73.02839	1.6
74.98965	0.7
75.00748	1.1
80.02536	0.9
81.03351	2.2
83.01255	2.8
85.02818	4.2
87.00764	1.4
87.04430	0.7
89.02319	1.8
93.03312	2.8
95.01261	3.6
97.02845	1.3
99.00759	1.7
101.02312	6.0
101.63552	0.6
106.00473	0.9
107.01273	7.9
108.02052	36.5
109.02855	2.6
110.00007	1.0
110.18883	0.6
111.00766	2.5
113.02311	3.4
119.04922	2.0
120.99335	0.7
121.02841	8.7
123.00766	13.3
123.04407	17.6
124.01591	3.9
125.02327	3.2
127.00274	1.6
135.04408	1.4
136.98779	1.9
137.02338	12.3
138.03137	3.3
139.00288	4.2
139.03914	10.2
139.11194	1.1
140.01071	1.1
141.01820	1.7
149.02380	1.6
150.03159	2.8
151.00290	5.9
151.03889	1.0
152.01048	73.8
153.01550	2.4
153.05464	7.8
154.02640	1.0
155.03380	2.5
161.02321	1.2
161.04462	2.2
163.03902	3.0
165.01869	1.2
165.05469	2.1
166.02626	19.2
166.99756	6.6
167.03403	100.0
168.00526	7.8
168.03737	2.8
169.01367	3.5
173.04517	0.6
175.03867	0.8
177.01991	1.3
179.03429	0.7
180.04172	1.0
181.01340	8.7
181.04968	16.3
181.06555	1.0
182.02116	11.1
182.05403	0.7
183.02899	32.4
183.10274	1.1
184.03252	1.3
191.03604	0.7
191.05537	1.8
192.00539	0.6
193.01384	1.0
195.06595	2.3
196.03773	0.7
197.02672	1.0
197.04477	20.3
199.13319	1.0
201.01978	0.7
201.11363	0.6
209.04330	0.7
210.01639	0.6
223.05942	0.8
225.04063	2.4
237.03903	0.8
239.05737	0.8
251.05582	0.9
255.05046	0.9
265.12924	1.8
275.01846	0.7
287.14893	1.0
291.06543	0.8
300.99884	1.7
311.04135	1.1
312.04886	2.2
317.04440	1.2
326.06436	4.3
327.07181	69.2
328.07581	5.6
331.17691	1.0
341.08734	37.8
342.09134	3.5
361.18637	2.7
391.03192	0.7
391.13910	1.4
393.74374	0.6
463.21860	4.1
509.12885	39.2
509.21951	1.9
510.13184	5.2
513.64630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51054	0.2
59.01250	1.8
61.98697	0.4
71.01253	1.3
71.06781	0.3
71.07119	0.5
72.99171	0.5
73.02802	0.4
83.01245	0.3
85.02818	0.4
87.04383	1.7
88.98657	0.3
89.02296	0.4
97.02775	0.3
101.02287	0.9
109.02811	0.3
113.02323	0.4
123.70467	0.3
135.04405	0.4
160.01570	0.5
161.02281	0.6
163.03879	0.3
165.01814	0.6
173.02257	0.5
173.04498	0.6
174.96785	0.3
175.03952	0.7
245.06052	0.3
246.06769	0.5
258.08881	0.3
261.05554	1.0
262.06241	0.6
273.05685	0.7
274.06427	1.3
275.06860	0.3
285.05624	0.8
289.05008	1.1
290.05710	1.0
300.04108	0.6
301.05121	3.8
302.05838	1.4
303.06570	0.6
317.04486	3.7
317.19611	0.4
318.05170	3.0
319.06009	0.4
328.03644	0.3
329.04504	8.4
330.05014	1.0
341.04495	0.5
342.05209	0.8
343.06000	2.2
345.04019	18.0
346.04782	100.0
347.05313	17.6
348.06195	0.8
358.04776	0.9
359.05682	2.5
360.06085	0.6
361.07373	0.3
371.05627	2.0
388.05911	0.4
389.06616	3.1
390.06882	0.4
401.06668	0.6
409.56351	0.4
508.22504	0.4
509.10867	5.2
509.18896	0.4
509.21936	0.5
510.11642	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	509.1293
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03301	1.0
59.01249	9.8
61.98694	3.8
65.00204	0.6
67.01764	1.3
67.24657	0.5
69.03316	0.9
71.01254	7.4
71.50867	0.7
72.99181	1.3
73.02813	1.1
74.98958	1.4
75.00737	1.4
79.01782	0.7
81.03300	0.6
83.01254	0.9
85.02840	3.0
87.00740	0.9
88.98697	0.6
89.02326	2.9
93.03329	2.0
95.01251	2.1
95.04877	1.1
96.95887	2.0
97.02859	1.2
99.00737	0.8
101.02314	4.4
107.01266	6.4
108.02061	1.2
109.02822	1.9
111.00807	3.1
113.02310	2.7
119.03382	1.2
119.04910	1.6
120.99512	0.6
121.02837	2.6
123.00761	9.8
123.04388	1.5
124.01559	1.4
125.02330	44.4
126.02645	1.6
131.03485	0.5
133.02832	1.6
134.03574	0.7
135.02852	1.3
135.04430	7.9
136.05186	2.1
136.98869	1.7
137.02341	3.2
139.00258	4.1
139.03851	0.8
140.01071	2.7
141.01823	1.5
145.02760	0.7
147.04413	0.6
149.02341	1.3
149.04407	0.7
149.05933	0.6
150.03078	1.0
151.00284	7.8
151.03876	2.0
151.07536	1.3
152.01067	1.3
153.01784	1.7
159.04437	1.4
160.01538	0.6
161.02344	1.9
161.04433	0.9
163.03900	0.9
165.01839	2.2
165.05493	0.9
166.99802	1.0
167.03416	1.6
168.00571	4.4
169.01335	54.7
170.01677	2.5
173.04472	0.7
173.40863	0.5
175.03876	2.1
177.01830	1.1
178.99704	0.7
179.03400	1.0
179.05603	0.7
180.04172	0.8
181.04959	1.5
181.08569	2.0
183.02911	2.1
183.10162	2.3
185.11800	0.7
187.03967	1.0
191.03470	0.9
191.05525	2.3
193.01436	0.7
193.05000	0.7
195.04803	1.0
195.06561	14.5
196.06859	0.9
199.09731	0.8
201.01729	0.6
203.03387	0.8
205.04997	0.8
211.02380	1.5
225.07709	0.6
229.01384	1.1
231.02867	0.9
241.03410	1.0
257.00714	0.6
267.10797	1.1
273.00372	0.8
275.01892	2.2
281.06744	1.1
285.07724	0.8
286.98309	1.3
291.06580	2.0
300.99924	2.6
302.00412	1.9
303.01520	2.1
313.05649	14.2
314.06058	1.0
317.02869	2.8
318.03745	2.4
325.11411	1.1
327.07239	1.2
331.17542	0.6
333.02634	0.8
333.05960	3.5
343.12073	1.6
361.22287	1.1
381.01614	0.9
381.51892	0.6
382.02542	0.7
391.02786	1.1
391.14111	0.6
449.03564	0.5
463.21918	2.2
465.06400	0.6
466.11963	1.5
471.14929	0.8
473.16623	1.9
491.11816	8.7
491.18439	0.9
492.12674	1.3
507.53174	0.6
509.12967	100.0
510.05963	1.1
510.13297	17.1
510.20844	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	509.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.2
61.98702	8.3
64.25264	0.4
71.01246	3.7
72.99163	0.4
73.02805	1.4
75.00732	0.4
83.01266	0.7
85.02802	1.4
87.04385	24.1
88.04713	0.4
89.02306	1.4
93.03308	0.8
95.01300	0.4
99.00771	0.4
101.02299	2.2
108.84383	0.4
109.02782	0.7
113.02304	1.2
117.03324	1.1
119.03358	0.5
121.02789	0.4
123.04401	1.2
125.02351	0.6
131.03360	1.6
133.02888	0.4
135.04382	0.6
136.07574	1.1
137.02356	0.6
145.02829	1.1
153.05322	0.3
160.01563	1.1
161.02336	6.1
161.04520	0.5
162.02606	0.4
163.00218	0.7
163.03889	1.6
167.03366	2.8
173.02309	1.1
173.04442	1.5
174.03145	1.4
175.03873	1.5
176.04134	0.4
181.04916	0.5
182.03592	0.9
183.04431	2.0
185.02315	3.5
189.01688	0.7
191.05424	0.5
201.01859	1.9
245.05869	0.6
247.07570	0.5
257.05969	1.6
261.05545	0.6
272.04797	0.8
273.05530	2.1
274.06326	1.1
275.07062	0.9
285.05576	10.7
286.05945	1.3
300.04272	1.1
301.05035	18.4
302.05463	2.2
303.02921	1.1
303.06610	2.0
317.04608	2.0
317.19702	0.9
318.05185	1.1
319.06146	2.2
328.03818	1.2
329.04523	100.0
330.05078	19.6
331.05673	1.6
335.05371	0.4
341.23340	1.6
343.05869	0.4
345.04004	1.6
346.04797	9.8
347.05566	92.7
348.05890	9.6
359.28061	1.8
360.28397	6.5
361.28625	1.8
373.03247	0.9
377.21655	1.0
389.06409	0.8
411.10956	0.5
477.18417	0.5
508.32361	1.0
509.10846	59.8
510.11218	10.9
510.18726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
59.40613	0.2
61.98695	3.7
70.62557	0.2
71.01231	0.6
75.00723	0.5
78.95730	0.4
80.58058	0.2
81.25087	0.2
85.02796	0.3
87.04328	0.2
89.02295	0.3
93.03323	0.3
101.02254	0.5
113.02345	0.3
114.12998	0.3
121.02845	0.3
125.02316	0.4
133.02750	0.3
135.02878	0.6
145.02890	1.5
152.99500	0.3
160.01604	1.3
161.02353	19.9
162.02605	1.0
163.03867	0.3
165.01796	0.6
171.10109	0.4
173.00992	0.5
173.02353	6.3
174.02869	0.3
175.03845	1.1
178.75096	0.3
187.03885	0.5
191.05487	0.3
199.03906	0.5
209.11734	1.0
245.06078	0.3
257.06140	0.5
263.06924	0.3
272.04782	0.5
272.88983	0.2
273.05518	0.9
274.06247	0.6
275.07123	1.3
285.05692	1.3
289.04901	0.3
290.05704	0.4
291.06512	0.4
300.04263	0.6
301.05109	3.2
302.05682	1.0
303.06647	1.6
314.04034	0.2
315.04990	0.7
317.04492	0.5
318.05011	0.7
319.06134	3.2
320.06274	0.4
328.03726	2.9
329.04517	16.2
330.05017	3.1
331.05820	0.4
342.05396	0.5
343.05695	0.4
344.02975	0.3
345.03922	2.1
346.04663	5.2
347.05573	100.0
348.05930	10.6
373.03412	2.2
374.03702	0.4
391.04562	0.5
411.10867	0.3
447.09399	0.3
449.52499	0.3
509.10922	17.2
510.11478	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	509.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40460	0.5
59.01246	9.0
60.80012	0.5
61.98705	9.3
66.83900	0.5
71.01250	2.2
72.99178	0.5
73.02789	0.6
75.00732	0.9
85.02831	0.7
89.02321	2.0
91.01771	0.6
101.02309	1.1
109.45241	0.5
113.02330	1.1
117.03358	0.7
121.02831	0.5
125.02293	0.8
131.03386	0.9
135.02896	1.3
135.04385	1.0
137.02356	0.6
137.05974	1.7
160.01570	2.3
161.02362	6.0
163.00259	1.2
163.03883	1.2
173.02376	1.0
174.03128	1.3
175.03917	2.4
175.07495	0.6
176.04347	0.8
177.01828	1.0
179.03502	0.6
181.04997	3.0
181.08594	0.6
182.03665	0.6
183.04448	1.8
185.02344	3.6
196.73309	0.5
201.01875	2.5
202.02361	0.7
217.06709	0.5
223.30046	0.5
229.55504	0.6
245.06042	0.8
257.05984	1.0
272.04996	0.6
273.05542	1.9
274.06387	0.8
275.07123	0.7
285.05576	11.5
300.04306	1.3
301.05048	18.0
302.05475	1.9
303.02982	1.6
303.06659	2.4
317.04471	1.6
319.06021	2.8
328.03726	1.2
329.04538	100.0
330.05084	20.4
331.02383	0.8
331.05899	1.6
332.02979	0.6
332.09818	0.6
345.04050	2.2
346.04755	11.7
347.05573	95.7
348.05945	10.6
353.31046	0.5
355.02707	0.7
360.28207	1.2
373.03372	1.4
389.06863	1.0
434.17166	0.8
478.16095	1.0
509.10849	59.4
510.11136	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	509.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	1.2
61.98689	0.5
71.01260	0.5
71.23049	0.8
72.99153	0.4
73.70560	0.3
74.92156	0.3
75.00723	1.1
78.95779	0.4
98.14867	0.3
101.38905	0.3
115.26421	0.3
117.03312	0.5
129.03587	0.4
135.02849	1.9
143.23833	0.3
145.02878	0.4
160.01585	0.5
161.02357	6.7
161.09389	0.3
163.00330	0.6
163.03944	1.9
173.02286	1.1
174.03110	0.9
175.03882	0.7
182.03616	0.8
183.04398	2.1
185.02348	3.0
189.01782	0.6
198.12395	0.3
201.01817	2.0
209.11775	0.5
213.75912	0.4
236.84511	0.3
245.06023	0.9
257.06039	1.3
261.05600	0.8
272.04733	0.8
273.05551	2.6
274.06302	1.0
275.03415	0.5
275.06982	1.0
285.05569	10.6
286.05933	1.1
288.04224	0.5
289.05066	0.6
300.04422	1.6
301.05051	17.4
302.05420	1.9
303.02975	1.4
303.06616	1.8
304.07156	0.4
305.03897	0.4
311.22144	0.6
317.04504	1.7
318.05399	0.9
319.06165	2.5
328.03766	1.0
329.04523	100.0
330.05075	19.8
331.05582	1.3
345.04019	4.7
346.04712	10.7
347.05573	98.3
348.05911	9.6
373.03433	4.1
391.04434	0.7
417.48309	0.4
465.31970	0.4
509.10889	57.2
510.11267	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	509.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47383	1.5
51.38531	1.6
51.92891	1.6
52.01994	1.7
55.29593	1.6
59.01252	12.4
66.89501	1.4
69.80121	4.0
69.80533	4.5
71.01250	13.9
72.99180	2.5
73.02805	1.8
74.38340	1.6
75.00751	8.0
75.81852	1.6
82.13013	1.4
83.01228	2.2
85.02800	5.6
87.00762	2.9
89.02319	5.1
95.01247	2.4
96.95874	1.8
101.02334	8.2
109.02841	3.3
113.02283	4.3
121.02812	2.2
122.28284	1.5
123.00768	3.1
125.02309	6.0
135.04382	4.1
137.02271	2.4
139.00162	2.1
140.01115	1.5
141.01855	1.9
145.02757	3.4
148.01555	1.9
151.03842	2.2
160.01563	1.7
161.02328	6.7
161.04462	3.9
163.00261	4.8
163.03908	4.1
166.99892	2.1
169.01314	4.4
172.66830	1.7
173.02261	2.9
175.03874	3.2
176.01070	4.0
177.01816	4.0
181.08708	1.9
187.00278	6.8
187.03992	1.7
188.01025	3.7
189.01831	4.0
190.02638	2.3
190.99768	4.3
191.03348	1.7
191.05553	2.4
201.01884	4.6
202.99730	1.9
203.03362	3.9
214.99745	7.4
216.00623	9.7
217.01283	10.9
219.02844	3.0
229.01363	5.2
230.99289	8.2
231.02948	5.6
242.99304	5.4
244.00063	3.4
245.00737	2.7
247.02374	6.1
257.00885	2.9
257.98166	1.7
258.01666	7.4
258.98807	3.2
259.02414	4.9
259.99664	10.0
260.02237	1.6
261.00278	2.9
274.01093	3.3
275.02017	11.0
277.03546	3.9
286.98273	14.6
300.99512	2.3
303.01453	16.0
312.61484	1.9
317.16040	6.7
318.00089	9.8
330.00037	2.2
334.14987	1.7
345.99667	6.7
347.00354	8.4
347.17075	3.4
389.01544	28.9
390.01947	3.3
405.04446	2.3
419.02386	2.8
449.03543	50.6
450.03915	5.5
465.06699	6.3
483.02960	1.8
509.05655	100.0
509.18637	6.2
510.05966	10.3
510.12430	1.8
529.52704	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	509.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.9
63.02253	2.0
65.00185	8.0
67.01740	1.5
68.99673	1.6
69.27110	5.5
69.27550	6.1
71.01269	8.5
72.99180	4.9
73.02785	2.2
75.00731	2.3
76.37029	1.2
80.57159	1.3
83.01261	4.8
85.02828	9.8
87.00746	2.1
89.02293	1.2
93.03303	1.7
95.01273	5.7
97.02843	1.4
99.00738	2.6
101.02291	2.1
107.01271	11.6
109.02833	13.0
111.00757	7.6
113.02316	11.0
119.04906	4.5
121.02826	3.5
123.00761	5.9
123.04449	1.4
124.01596	2.6
124.98665	1.9
125.02341	15.2
127.00247	1.5
133.02849	3.5
135.00774	3.2
136.98732	1.9
137.02322	4.8
137.06010	1.8
139.00266	17.4
141.01837	3.2
143.04939	3.3
144.77626	1.2
145.02791	2.4
145.06453	1.3
147.04402	2.3
149.02332	7.0
151.00267	37.1
151.03906	3.8
152.00949	2.2
153.01845	21.0
154.99753	14.7
155.04977	1.6
159.04422	5.5
161.02344	2.5
161.05946	3.8
163.00273	4.8
163.03851	2.1
164.00945	1.8
164.98242	2.0
165.01778	4.0
165.05365	1.4
166.99742	7.7
168.00551	4.3
169.01323	9.5
171.04390	2.7
173.02325	2.5
173.05869	1.5
174.03120	1.9
175.02496	1.2
175.03905	4.0
177.01825	4.0
177.98929	3.0
178.98209	2.7
178.99767	41.1
180.00407	3.1
181.01393	2.3
181.98425	1.4
182.99277	1.9
183.10112	1.7
185.33380	1.2
187.03990	9.1
189.01865	3.2
189.05478	4.3
190.02621	2.3
190.99799	2.6
191.03447	3.8
192.00529	2.0
193.01324	13.6
193.03432	6.5
194.99237	4.1
197.00682	2.7
199.03903	4.1
201.01913	1.7
203.03360	4.2
204.97681	2.0
205.04984	11.5
213.01889	2.0
215.03493	6.5
217.01344	2.9
217.04945	4.9
219.02853	2.7
222.98764	5.7
223.99698	1.3
229.01279	1.6
231.02922	4.3
232.03807	1.7
233.04497	38.7
234.04913	2.8
241.01328	2.3
243.02908	7.8
245.00938	1.9
245.04518	5.8
246.01488	1.5
247.02428	4.5
259.02557	6.3
261.04059	14.2
269.00818	1.6
271.02539	9.7
287.01941	23.3
288.02527	2.4
289.03616	13.4
297.00439	4.2
315.01443	49.8
316.01929	4.7
333.02512	100.0
334.02805	9.5
369.04684	2.1
394.19406	1.3
409.07870	6.4
437.07144	1.9
509.05698	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	507.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81622	26.4
59.01236	54.5
64.22136	23.8
70.84061	60.6
78.32487	25.1
80.30343	24.2
83.61476	30.4
134.52968	28.6
145.83669	26.4
164.64766	24.4
181.79933	28.8
217.83954	26.5
304.46408	29.4
315.18063	31.7
507.36829	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	508.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83432	0.8
54.92400	0.7
59.01252	4.9
61.98701	37.9
62.36890	0.8
67.42729	0.7
71.05271	1.0
71.05598	1.1
79.25862	0.7
85.21745	0.7
112.15492	0.7
130.68677	0.7
139.03944	0.9
145.02815	0.7
161.01086	1.1
161.02341	12.0
174.03091	1.9
175.03882	4.1
187.03912	0.6
200.04688	2.8
211.03957	10.1
212.04236	0.8
215.07106	5.6
224.04610	0.9
229.04976	3.4
251.07111	2.9
253.08664	4.3
257.05984	0.8
274.06277	2.0
283.13019	0.9
285.05386	0.9
286.06207	1.5
301.05170	2.1
302.05774	3.7
303.06641	1.6
310.29282	0.7
313.05005	1.3
329.04498	10.8
330.05304	71.1
331.05731	10.2
346.04852	2.3
347.05548	27.3
348.06354	100.0
349.06665	13.2
427.11908	10.7
428.12253	2.0
445.12964	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43317	1.0
57.01413	1.1
57.03330	6.3
59.01248	100.0
60.01591	1.2
61.98701	6.6
65.00174	1.4
67.01776	1.2
69.03328	3.2
69.26549	9.3
71.01251	24.3
71.04875	1.1
72.99177	6.4
73.02817	9.2
74.98972	1.9
75.00741	15.8
81.03323	2.3
83.01245	3.5
83.04884	1.2
85.02830	10.2
87.00761	2.6
87.04382	16.4
87.04898	1.2
89.02317	14.4
93.03336	2.3
93.06973	2.4
94.02863	3.0
95.01275	3.4
95.04888	1.3
95.81754	1.0
97.02845	2.9
99.00748	2.5
99.04395	1.2
101.02316	14.6
101.05961	1.9
107.01282	3.4
107.04914	1.4
108.02068	3.7
109.02841	4.5
109.06478	3.3
110.02355	1.5
111.00773	2.5
111.04414	2.3
113.02334	7.2
117.01788	1.3
119.03405	5.5
119.04914	4.2
120.99534	4.2
121.02850	3.0
121.06508	1.8
122.03619	1.3
123.00764	5.4
123.04425	4.5
123.08035	2.4
123.79893	1.3
124.01566	6.6
125.02341	44.8
125.05968	2.0
126.02706	2.3
133.02835	4.6
134.03654	2.5
135.02864	1.6
135.04424	6.1
137.02354	4.9
137.05997	9.3
138.01871	3.9
138.03081	2.5
139.00247	3.3
139.03903	2.3
139.07559	6.0
139.11200	3.1
143.03453	1.2
143.07047	3.2
146.03552	1.1
147.04356	1.6
148.01532	1.4
149.02258	1.2
149.06010	1.9
149.99507	2.9
150.03183	1.2
151.00290	7.5
151.03914	3.0
152.00980	1.9
152.03413	3.5
153.01857	1.7
153.05460	2.8
157.75511	1.0
160.01544	2.8
161.02373	16.6
161.04443	6.1
161.05792	1.8
163.03912	2.2
165.01860	3.8
165.05486	4.1
167.03464	2.8
168.00551	9.2
168.04158	3.8
169.01343	56.0
170.01675	2.4
174.03133	1.4
175.03943	6.6
177.01822	6.3
178.99689	1.4
179.03410	3.9
179.05505	3.7
183.02888	5.2
183.06505	3.3
183.10181	12.7
187.03940	1.4
187.09657	2.3
190.02592	1.4
191.03360	1.5
191.05484	1.4
193.01468	1.7
193.04994	3.0
201.11259	21.6
202.02357	1.2
209.04457	3.5
210.01680	1.5
211.02332	2.8
215.03484	1.2
215.12808	3.3
223.06104	2.0
223.09785	1.1
225.03877	2.6
225.11264	35.5
226.11646	2.0
227.03499	1.5
227.12735	1.6
235.06068	1.7
237.06105	6.5
241.05139	2.8
243.12312	9.7
244.03247	1.7
253.05045	1.3
255.02939	3.6
255.12331	3.9
256.03314	2.1
256.07462	1.3
257.03531	1.9
269.04514	2.6
269.98138	1.8
270.99457	1.4
271.02075	5.8
271.04706	3.1
272.02817	4.7
273.03033	7.7
279.07141	2.5
281.12430	3.8
285.00354	1.5
297.04010	4.4
300.02759	10.4
300.06134	2.5
300.99960	1.7
301.03152	11.4
302.03317	15.7
303.04001	6.7
312.06451	2.6
313.05685	13.1
315.08795	9.6
323.07629	4.5
323.13480	23.1
324.14011	1.3
327.08731	19.9
328.09079	2.2
328.99084	1.8
331.06744	22.7
332.07031	2.0
345.09662	2.0
345.16602	1.4
369.09738	2.6
427.10257	1.5
507.11203	45.2
507.24329	79.6
508.11017	5.5
508.25348	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.4
57.03309	1.7
58.00466	0.9
59.01249	100.0
60.01571	0.9
61.98701	3.2
69.03338	2.0
69.21385	1.7
69.21804	5.5
69.58144	0.7
70.65987	0.7
71.01249	14.4
72.01478	0.6
72.99162	3.2
73.02818	7.8
75.00743	2.5
81.03324	1.9
83.01257	2.8
85.02821	9.0
87.00754	2.4
87.04395	0.9
88.98628	0.7
89.02309	4.4
93.03353	2.7
95.01267	2.5
95.04922	2.8
97.02849	2.9
99.00751	3.4
99.04398	1.5
101.02315	15.4
104.85872	0.7
107.04906	3.2
108.02055	13.1
109.02848	8.3
109.99974	3.6
111.00771	2.9
113.02343	7.3
117.03346	1.0
119.03444	0.9
119.04911	2.7
120.99563	0.9
121.02853	2.4
123.00750	6.4
123.04446	1.8
124.01566	12.4
125.02340	32.6
126.02730	1.1
132.02069	12.5
132.74969	0.7
133.02855	5.2
134.03642	15.0
135.04419	8.5
135.98363	0.8
136.01578	0.8
137.02321	5.9
137.05952	0.7
137.99454	5.1
139.00269	13.8
139.01231	1.1
139.03928	3.1
139.07521	1.0
140.00710	0.8
143.03372	1.0
145.02896	0.9
147.04431	1.7
149.02345	1.6
149.05989	3.3
149.99487	10.9
150.03151	1.8
151.00314	2.9
151.03897	1.6
152.01053	14.9
153.01837	62.5
154.02646	10.8
155.03392	2.2
157.08600	0.8
159.02917	1.5
160.01561	45.5
161.02357	15.8
161.04451	7.3
161.05852	1.3
163.03935	1.9
164.04765	0.8
165.01892	1.9
165.05487	2.1
165.12779	1.0
165.94943	0.6
167.03429	3.6
168.00543	31.5
168.04178	16.0
169.01335	28.5
169.04967	6.2
175.03915	52.6
176.01074	4.0
176.04390	2.1
177.01872	4.2
178.02660	2.3
178.89221	0.9
179.03392	5.2
181.05017	1.2
181.08624	4.3
183.03003	0.8
183.10179	4.3
189.12862	0.9
190.02638	1.9
191.03424	3.2
193.03290	1.5
193.04977	13.2
193.06595	1.2
193.08658	0.9
194.05383	0.7
201.01781	0.7
202.02905	0.8
205.01601	0.8
205.05077	2.4
207.13901	2.8
209.04535	1.1
209.11737	6.4
210.12436	0.8
211.02551	0.9
219.08525	0.9
221.04564	1.4
222.08986	2.3
223.09764	2.9
225.11330	0.9
225.14890	6.6
227.12840	31.1
228.13210	2.4
235.06165	1.2
237.09563	6.8
237.11906	1.0
265.07358	0.9
269.13919	2.6
279.10837	2.2
281.12387	1.4
287.15088	1.6
297.06314	0.8
300.99829	0.8
309.15048	0.9
313.05768	1.3
315.07153	9.0
323.07690	10.7
324.08075	1.1
331.06870	3.7
337.09256	23.2
338.09613	2.5
339.54416	0.9
341.08618	0.8
345.04581	1.4
345.17007	13.4
346.17249	1.3
367.10123	0.8
389.25262	4.1
463.12827	0.9
471.09363	1.4
475.09052	1.7
489.23465	10.5
490.23959	1.6
507.11545	29.0
507.15216	29.9
507.24643	76.3
508.12097	4.0
508.15936	5.1
508.24994	12.4
519.05579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.4
57.03335	2.9
59.01250	94.9
60.01609	1.8
61.98701	6.9
69.30265	9.1
69.30669	4.1
71.01247	56.8
72.99176	2.7
73.02815	19.7
74.31959	1.5
75.00740	3.8
79.88511	1.5
82.11623	2.0
83.01254	10.0
85.02824	22.1
87.00770	3.8
89.02307	23.7
90.54789	1.6
93.03323	2.2
95.01234	3.9
97.02826	1.9
99.00753	9.3
101.02322	60.0
102.77840	1.7
109.02844	1.8
113.02337	23.0
115.46258	1.7
119.03409	6.5
119.04929	3.2
123.04410	1.4
125.02335	4.6
129.01828	2.0
131.03394	46.7
133.02820	1.7
135.04404	37.3
137.02377	1.9
143.03401	4.4
149.04430	8.5
151.03893	1.9
154.23514	1.7
159.02898	3.6
159.23921	2.0
160.01544	2.7
161.02353	5.7
161.04422	18.5
163.03926	2.9
165.01854	1.6
168.03656	1.6
175.03894	7.1
179.03432	33.9
179.05577	3.7
183.42854	1.6
191.05602	7.7
211.13344	6.8
217.05072	1.6
227.16492	3.2
293.08917	2.4
300.88290	1.5
315.18082	100.0
316.18381	7.2
327.12473	3.6
330.03766	1.9
341.08435	2.4
345.04050	12.1
345.16583	2.3
373.07462	1.7
389.33395	1.7
427.10205	5.1
447.22333	71.4
448.22531	8.8
507.18872	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.0
57.03317	1.7
58.00449	1.6
59.01250	100.0
60.01556	1.1
61.98691	3.6
67.86324	1.0
69.27863	6.1
69.28291	4.8
71.01251	41.4
72.99169	3.7
73.02818	8.5
78.95768	1.9
79.01758	0.9
83.01247	4.9
85.02825	16.3
87.00737	2.6
89.02317	39.6
93.03342	1.4
94.90010	1.0
95.01270	3.4
99.00750	3.6
101.02325	39.7
111.00812	1.2
113.02336	17.7
119.03374	13.6
125.02315	1.3
130.90573	1.3
131.03397	51.1
133.02832	2.4
135.04427	5.5
140.07060	1.1
143.03412	4.0
149.04495	7.8
159.02820	2.6
160.01537	1.6
161.02432	6.7
161.04453	14.7
163.03883	1.4
175.03955	1.8
177.01756	1.6
179.03426	3.1
179.05536	12.7
179.15025	1.1
190.02658	1.9
191.05493	7.3
219.02899	1.7
267.42908	1.2
269.90530	1.0
271.67450	1.1
297.11978	1.3
315.18097	65.7
316.18451	6.6
329.23300	1.6
345.16913	2.9
389.25339	1.1
422.20398	1.1
427.10403	1.3
447.22348	25.1
447.33810	1.0
448.22781	3.0
507.12643	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	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68211	1.2
54.31980	1.1
55.01756	2.1
57.03323	2.9
59.01250	60.8
60.01598	1.2
61.98705	2.1
71.01252	45.1
72.99165	1.3
73.02818	14.6
83.01250	7.2
85.02824	21.1
87.00741	1.5
87.90192	1.1
89.02323	11.5
95.01239	3.1
97.02814	2.5
98.20567	3.5
99.00735	7.7
101.02318	43.1
111.00770	2.3
111.88793	1.3
112.94769	1.1
113.02329	20.8
125.02339	2.9
131.03389	25.0
135.04428	1.9
137.02303	1.7
142.29779	1.2
142.32855	1.2
143.03360	1.8
149.04491	2.0
159.02899	4.8
159.04384	1.9
161.04463	26.0
179.03462	2.6
192.42865	1.2
257.54956	1.1
315.18097	71.8
316.18463	5.8
345.03824	1.4
447.22327	100.0
448.22626	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	507.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03330	2.8
57.95763	0.3
58.00476	0.5
59.01249	10.2
61.98706	2.6
64.06632	0.4
68.99696	0.7
69.03342	0.4
69.19840	4.3
71.01247	7.8
72.99167	0.9
73.02816	1.7
75.00748	1.8
83.01259	1.2
85.02828	3.6
86.46576	0.4
87.00771	0.8
89.02303	4.4
90.86486	0.4
93.03334	31.1
94.00972	0.4
94.03711	1.0
95.01263	1.5
95.04897	0.5
96.95884	1.7
96.99157	0.5
97.02840	0.6
99.00777	0.7
101.02316	5.5
108.02052	0.5
109.02831	0.6
111.04420	0.5
113.02324	3.3
119.03405	2.2
121.02821	1.2
123.08044	0.5
124.01551	4.1
125.05936	1.0
133.02852	0.6
135.04413	6.6
136.01555	2.7
137.02338	89.0
138.02664	2.6
138.06743	3.1
139.03902	6.5
139.07574	0.4
145.02867	0.5
147.00781	0.5
147.04428	0.6
149.02361	1.7
149.16090	0.5
151.03853	0.9
152.00948	0.4
153.09114	7.4
154.09402	0.5
155.01979	0.4
161.02324	0.6
161.04454	1.0
161.05916	0.4
163.03906	1.5
164.04659	1.2
165.01793	0.8
167.07063	0.5
169.01338	1.1
174.03064	0.7
175.00270	2.8
175.03897	1.5
176.00810	0.4
177.01794	0.9
179.03442	4.4
179.05550	0.6
179.06989	0.5
180.03674	0.5
181.04956	0.4
183.10179	8.6
184.10512	0.6
189.01828	0.5
190.02646	6.0
191.03288	1.2
197.11710	0.6
205.04993	6.3
206.05385	1.2
206.64563	0.4
207.05608	0.5
207.13855	0.9
209.04475	0.6
211.26076	0.4
221.04408	1.0
223.06056	1.7
225.11426	0.5
225.14874	3.9
239.05653	2.6
281.06787	2.0
315.18042	0.4
341.12396	0.7
345.03659	0.6
367.10300	6.1
368.10080	0.6
389.25272	0.7
507.22348	100.0
508.22662	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	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01252	100.0
60.01588	1.1
61.98703	1.0
69.53053	4.6
71.01254	6.7
72.99194	1.1
73.02817	1.8
74.98976	0.7
75.00770	1.3
80.29235	0.6
85.02818	2.9
86.97993	0.5
87.00774	1.6
89.02319	4.1
93.03349	0.9
95.01288	0.8
96.95913	0.6
99.00773	0.7
101.02332	5.4
105.01808	0.6
107.01250	0.5
107.04850	0.5
108.02044	0.6
109.02834	0.9
111.00757	0.8
113.02319	3.3
119.03384	1.8
120.99575	1.0
121.02856	1.2
123.00804	0.9
123.04425	1.1
125.02320	4.2
133.04988	1.7
135.02888	0.9
135.04420	1.3
136.99065	0.7
137.02364	1.1
139.00293	0.6
143.03386	0.7
149.05991	4.0
150.03094	0.7
151.00269	1.2
151.03928	2.3
153.05508	2.2
161.04498	6.9
163.03912	0.9
169.01453	3.4
179.03355	1.6
179.05545	1.2
181.04987	29.9
182.05333	2.1
183.10199	2.6
191.05515	1.1
193.04980	2.6
196.07344	35.8
197.07794	2.2
211.09697	86.5
212.09999	5.3
235.08144	3.4
257.11777	1.3
275.01871	0.6
302.68729	0.6
313.05545	1.6
323.09769	0.9
341.10773	2.6
355.10114	1.4
447.18359	2.8
463.16162	1.0
507.11383	6.4
507.18747	0.7
507.21405	0.6
508.11346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76680	0.2
55.27112	0.2
57.03312	0.3
59.01248	2.8
61.98709	2.4
69.22178	2.4
71.01252	2.3
72.99171	0.6
73.02801	0.5
74.98955	0.3
75.00742	0.5
80.02515	0.2
81.03397	0.3
85.02824	1.2
87.04398	0.2
89.02322	1.3
93.03334	1.7
95.04898	5.1
95.67979	0.2
96.95873	0.3
97.06454	0.5
99.00771	0.5
101.02328	1.0
106.75601	0.2
107.04897	1.4
108.02071	0.3
109.02818	0.6
113.02316	0.8
117.03310	0.3
119.04913	100.0
120.05251	3.4
121.02851	0.7
122.03629	0.3
123.00782	0.4
123.04406	1.0
124.01598	0.2
125.02331	1.0
131.03362	0.3
133.02866	0.5
134.03644	1.0
135.02850	0.3
135.04408	1.6
136.04753	0.2
137.02333	2.5
137.09651	0.3
139.00246	0.3
139.07503	0.4
145.02867	0.7
147.04323	0.3
149.06001	0.3
151.00395	0.4
151.03841	0.2
153.01845	0.3
157.08601	1.3
160.01527	0.5
161.02356	0.9
161.04474	0.5
161.05960	0.3
163.03914	94.4
164.04247	4.0
165.01862	1.3
165.05447	0.3
169.01318	0.6
174.03157	0.3
175.03947	1.4
176.00951	0.3
176.04364	0.3
177.01773	0.4
179.03352	0.7
181.08614	10.1
182.08946	0.6
183.10139	0.3
189.01781	0.2
190.02560	0.3
191.03415	0.3
193.01344	0.5
193.04987	1.0
195.06541	0.4
205.05013	0.2
216.04256	0.2
222.08940	1.1
223.09729	1.5
225.07733	0.3
237.11340	0.8
286.64954	0.2
287.01727	0.3
289.05032	0.3
309.14667	0.3
315.17795	0.4
316.02103	0.4
331.04562	3.5
332.04749	0.6
333.05164	0.4
337.09317	0.2
345.03894	1.9
345.17004	4.5
346.17395	0.4
371.23975	0.2
382.10834	0.2
389.25449	3.1
427.10489	0.3
507.07941	0.7
507.22192	0.7
507.28769	2.6
508.28461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.5
68.18019	0.5
71.01266	1.5
71.49889	0.9
72.08681	0.6
72.99177	1.3
73.02811	0.7
75.00742	4.3
82.21223	0.5
85.02780	0.5
87.00750	17.2
88.01083	0.5
89.02339	0.6
94.68885	0.5
96.88602	0.5
99.00757	2.2
101.02325	1.0
105.01818	20.8
108.02087	0.5
117.01814	0.8
129.01845	0.9
132.56416	0.5
135.02852	0.9
138.75708	0.6
147.02887	4.1
163.06059	0.5
165.03963	100.0
166.01743	0.6
166.04315	2.8
191.05594	1.5
507.04001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16345	0.4
57.03323	0.6
58.36575	0.3
59.01250	31.1
61.98706	2.5
70.26748	0.3
71.01260	3.1
71.04906	1.3
72.99169	0.4
73.02820	1.0
78.95782	0.5
83.01254	0.4
85.02827	1.4
87.00737	0.4
89.02322	1.5
92.17224	0.4
93.03347	0.5
95.01292	0.7
98.19788	1.1
99.00813	0.7
101.02329	2.3
108.02064	0.8
109.02781	0.7
113.02331	0.5
114.54720	0.5
119.03356	0.6
121.02871	0.8
125.02331	1.2
131.03413	0.5
132.02065	1.0
134.03583	0.5
135.04402	1.0
136.01567	0.8
137.02345	10.6
138.03127	1.2
139.00214	0.6
139.03885	1.6
145.02899	0.7
149.05957	0.6
151.03946	0.7
153.05478	1.6
159.04326	0.4
160.01556	4.0
161.04472	0.9
164.01076	0.7
165.01842	39.7
166.02452	2.2
175.03934	6.3
176.04298	0.7
179.03391	2.3
193.05069	1.0
197.11874	0.5
209.11795	0.7
224.04745	0.7
224.54961	0.7
227.16499	1.3
229.59117	0.4
230.20583	0.4
285.11325	100.0
286.11661	9.8
310.20969	0.5
345.04053	4.8
346.04391	0.8
359.28079	3.8
375.23410	0.4
381.11835	0.4
427.10437	0.7
462.35541	0.4
506.35727	7.4
507.22586	4.4
507.28568	0.6
507.36258	4.3
508.22220	0.7
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	Unknow
Peak:m/z	Relative Intensity
53.04110	0.8
53.82104	0.8
55.01756	1.5
57.03312	3.0
59.01251	100.0
61.98685	1.6
63.81657	0.8
69.03313	2.0
69.49622	4.5
69.50042	1.2
71.01254	17.9
71.04874	1.0
72.99171	2.6
73.02824	7.7
73.88486	0.8
74.98985	0.9
75.00755	1.9
83.01264	4.5
85.02825	10.4
87.00770	2.1
89.02287	4.1
93.03336	2.6
95.01271	3.1
95.04919	2.9
97.02832	2.4
97.06476	1.4
99.00747	2.8
99.04388	2.3
100.74773	0.9
101.02325	13.2
106.04145	1.1
107.01257	1.0
107.04920	8.3
108.02068	10.0
109.02856	6.0
109.99976	4.8
111.00765	3.5
113.02326	7.9
117.03378	1.4
119.03385	1.8
119.04897	2.5
121.02852	2.8
123.00784	5.3
123.04420	3.4
124.01575	6.6
125.02341	18.4
132.02071	12.6
133.02893	6.5
134.03639	21.4
135.04419	12.0
136.01581	1.8
137.02353	4.2
137.05975	1.2
137.99417	5.2
139.00278	17.8
139.03914	4.5
143.03363	1.0
145.02893	1.5
147.04454	2.3
148.01498	1.2
149.02338	1.1
149.06001	4.9
149.99515	6.7
150.03134	1.6
151.00266	1.9
151.03905	1.1
152.01070	15.7
153.01839	69.5
153.48802	0.9
154.02637	15.9
155.03421	1.3
159.04372	1.1
160.01575	54.0
161.02371	19.5
161.04420	5.5
161.05707	1.0
162.02968	1.1
163.03889	2.7
165.01863	2.8
165.05473	2.9
165.12761	1.5
167.03381	3.2
168.00546	18.4
168.04187	21.8
169.01347	5.8
169.04987	9.5
174.03192	1.3
175.03928	66.9
176.01056	3.4
176.04323	3.4
177.01828	5.0
177.05449	1.7
178.02625	2.0
179.03439	5.7
181.01266	1.1
181.05093	1.5
181.07172	1.1
181.08630	5.1
183.06451	1.0
183.10168	5.7
189.12738	1.9
190.02539	1.5
191.03378	2.7
191.07127	1.5
193.03358	1.2
193.04997	15.6
205.05064	1.5
207.13844	3.1
209.04379	0.9
209.11812	6.8
219.08603	1.1
221.04510	2.9
222.08955	6.4
223.09723	7.4
225.14937	7.2
227.12839	33.3
228.13240	2.0
235.06091	1.2
237.09377	6.1
237.11690	1.7
265.07135	1.4
269.13983	2.2
279.10818	2.2
281.12357	1.4
287.15100	1.6
301.00143	1.1
309.14981	2.1
315.07181	8.5
323.07797	11.8
324.08118	1.5
331.06647	2.5
337.09290	24.8
338.09531	3.1
341.08878	1.1
345.03915	1.2
345.17062	31.1
345.21246	1.6
346.17395	3.6
389.25549	4.4
489.23444	9.8
507.15051	38.6
507.24399	74.6
508.10721	2.4
508.15366	5.0
508.24673	8.0
520.55945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.2
59.01242	5.7
61.98719	1.5
66.21482	0.6
69.19920	7.1
71.01265	6.9
72.99186	0.6
73.02821	2.6
75.00757	1.8
83.01273	1.7
85.02827	3.5
87.00748	0.7
89.02322	1.8
90.17337	0.7
91.01768	1.7
93.03347	1.9
95.01263	2.7
96.95887	3.6
101.02323	4.4
109.02831	1.3
110.46330	0.6
111.00781	0.7
113.02326	2.7
119.01276	5.6
119.03397	1.1
119.04860	1.0
120.43940	0.7
121.02100	0.7
121.02802	3.2
123.00768	14.7
123.04413	1.9
124.01559	27.0
125.02320	2.5
125.81466	0.6
132.02046	1.0
134.03645	2.1
135.04428	11.7
137.02289	1.6
137.06013	0.8
138.03127	5.9
139.00250	1.4
139.03911	13.6
143.03387	0.8
147.00795	3.6
149.02339	13.1
149.99475	0.9
150.03137	1.6
151.03905	1.1
152.01077	1.9
153.01830	1.8
153.05450	1.2
154.02606	1.0
160.01590	4.0
161.02303	1.4
161.04433	1.5
162.03151	0.9
163.03931	4.8
164.04691	9.8
165.01819	1.9
167.03432	1.1
168.00557	1.1
169.01459	0.9
169.04919	1.4
174.89494	0.7
175.00288	33.2
175.03888	6.7
176.00993	4.9
177.01746	0.9
177.05565	0.7
179.03419	14.1
179.07054	1.7
183.10211	1.1
189.01874	1.3
190.02635	92.3
191.03319	11.4
192.03859	1.0
193.04980	1.6
205.04997	100.0
206.05338	6.0
208.03693	1.7
209.04495	1.8
223.06076	16.5
224.06281	1.2
234.49037	0.6
296.09601	0.7
301.00174	0.6
301.03461	0.8
337.09253	2.6
345.15991	0.8
353.08859	4.3
367.10315	25.9
368.10736	2.1
389.25418	7.2
389.42151	0.7
447.15762	0.7
492.12570	1.6
506.22775	0.8
507.14957	70.7
507.27710	3.7
508.15250	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	507.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29560	0.6
55.50623	0.5
57.01423	0.5
57.03325	0.8
59.01254	4.3
61.98690	1.6
69.03296	0.7
69.16036	3.4
69.16470	2.7
71.01250	7.0
73.02785	2.6
75.00745	1.6
83.01254	1.4
85.02828	3.5
87.00738	0.9
89.02316	1.0
91.01781	2.0
93.03337	1.9
95.01247	2.1
96.95883	2.7
98.20194	3.0
99.00733	0.9
101.02322	3.4
109.02811	0.7
111.00780	0.9
113.02316	2.3
117.03344	0.8
119.01278	6.2
119.04884	1.3
119.98692	0.5
120.99529	0.7
121.02843	3.8
123.00768	17.2
123.01681	0.9
123.04391	1.2
124.01559	35.0
125.02420	2.8
132.02090	0.7
133.02835	1.3
134.03630	2.3
135.04402	11.9
137.02345	2.0
138.03139	5.5
139.00264	1.6
139.03925	14.8
147.00793	5.1
149.02347	13.3
149.03552	0.6
149.99486	1.5
150.03093	1.9
151.03912	0.9
152.01085	2.8
153.01881	1.2
153.05464	1.3
160.01552	2.9
161.02344	2.4
161.04463	1.5
162.03169	1.2
163.03931	4.2
164.04697	9.4
165.01865	2.0
165.05487	1.2
167.03345	0.7
168.00557	1.6
169.01318	1.4
169.04984	1.4
175.00281	41.0
175.03809	4.0
176.01010	5.7
177.01886	1.0
177.05438	0.8
179.03427	11.2
179.07024	2.4
183.10155	1.2
189.01888	1.1
190.02641	96.5
191.03313	11.5
193.01376	0.8
193.04944	1.0
194.02164	0.7
195.02907	1.0
198.94409	0.5
205.05002	100.0
206.05357	6.9
208.03653	2.1
209.04465	2.0
222.45105	0.6
223.06059	11.6
224.06378	0.9
247.06009	1.0
251.05656	0.6
267.48065	0.7
269.10294	0.7
296.09253	0.9
327.28424	0.6
337.09314	1.6
353.08771	5.1
367.10306	27.1
368.10703	2.4
389.25409	3.5
390.26007	0.6
492.12509	1.5
507.15100	67.2
507.27655	2.0
508.15549	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	507.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01249	32.7
69.03321	3.8
69.27943	4.4
69.28355	1.6
71.01239	5.0
73.02832	3.0
75.00753	0.7
81.03330	2.2
83.01263	2.1
85.02816	3.0
87.00776	0.9
89.02300	3.4
93.03339	5.3
93.30041	0.6
95.01275	2.6
97.02827	3.8
99.00783	0.7
101.02332	4.4
107.01270	2.1
108.02041	1.1
109.02850	1.1
109.99927	0.6
113.02325	2.5
119.04919	1.3
121.02869	1.6
123.00769	10.4
123.01579	1.1
123.04428	1.1
124.01554	21.4
125.02338	86.6
126.02687	2.2
132.02080	1.9
133.02826	1.1
134.03622	8.3
135.04417	1.7
136.01576	1.4
137.02336	17.1
137.03317	0.9
138.03174	1.0
139.00334	1.0
139.03891	1.6
145.02827	0.7
149.02367	1.1
149.05975	0.7
149.99490	34.6
151.00217	2.6
151.03847	1.0
153.01833	1.7
160.01570	9.2
161.02327	1.5
161.04485	1.7
163.03880	1.8
164.04643	1.5
165.01904	0.8
167.03447	1.9
168.00552	55.9
169.01338	99.9
170.01698	4.6
175.00304	2.0
175.03937	11.4
176.00996	0.6
176.04361	0.7
177.01945	0.7
179.03409	2.7
181.08623	0.9
190.02647	6.2
191.03355	1.3
193.04988	4.7
195.06573	1.6
205.04994	5.7
207.13879	0.9
209.04547	0.9
209.11761	2.1
223.06157	0.8
225.14941	2.4
227.12811	10.5
237.09779	2.2
239.05588	0.7
243.93964	0.7
252.17487	0.7
279.10965	1.0
279.51443	0.7
311.07562	1.2
313.05695	3.0
331.06714	16.7
332.06970	0.9
332.82169	0.6
337.09250	2.8
345.16754	1.7
349.75406	0.6
353.08926	0.9
367.10196	1.9
389.25427	2.5
431.33249	0.7
463.12692	0.9
489.10400	1.7
489.23438	4.2
490.11853	0.7
507.11301	100.0
507.22964	37.1
508.11591	13.9
508.23352	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	507.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38937	1.0
55.01759	1.0
59.01252	9.6
63.43016	1.0
69.03328	1.3
69.12527	1.0
71.01258	7.2
72.99174	1.3
73.02829	1.7
75.00724	1.2
75.04787	1.0
79.01771	1.1
85.02821	2.1
86.02324	0.9
87.00793	1.5
88.67758	0.9
89.02325	2.0
93.03330	3.8
95.01251	2.2
96.95883	1.0
97.02816	1.5
101.02307	3.6
107.01263	8.4
109.02820	1.5
111.00736	2.7
113.02324	2.4
119.04893	1.0
120.99586	5.0
121.02818	1.9
121.06451	1.1
123.00767	9.0
125.02333	48.9
126.02688	1.4
127.00227	1.2
133.02832	1.7
134.03606	12.7
135.04332	1.7
137.02319	4.0
139.00235	2.7
139.03937	1.5
140.01001	2.2
141.01859	1.4
149.02365	1.6
149.05978	69.1
150.03078	1.2
150.06319	4.1
151.00291	6.1
151.03999	1.1
152.03429	7.1
153.03778	3.0
161.02351	2.4
168.00497	3.0
169.01337	59.6
170.01807	2.1
175.03931	1.9
177.01849	3.2
178.02634	8.6
179.03368	1.8
180.27180	1.0
182.07436	1.2
183.10159	1.3
189.01797	1.0
193.04997	31.9
194.05371	1.7
197.09659	6.3
201.59999	0.9
202.30423	1.0
211.02472	1.2
213.12764	3.5
257.11832	5.6
271.04514	2.7
313.05649	32.9
314.06039	1.5
331.04404	1.8
355.10318	19.5
448.72122	1.1
463.11252	1.4
463.16263	4.0
507.11407	100.0
508.11731	12.1
514.55908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
59.01247	18.8
61.98705	0.8
65.00204	0.6
67.01752	0.6
68.95232	0.4
68.99670	0.6
69.03320	1.6
71.01252	5.8
72.33290	0.4
72.99191	1.9
73.02814	2.4
75.00739	1.6
79.52350	0.4
80.30330	0.4
81.03350	0.8
83.01249	0.8
85.02827	2.0
87.00719	1.0
87.04374	3.0
89.02316	3.7
90.24718	0.4
93.03339	1.1
95.01235	1.1
97.02824	1.8
98.19829	0.9
99.00745	0.5
101.02314	3.3
107.01288	2.0
107.04890	0.5
108.02054	1.0
109.02821	1.2
109.06474	0.6
110.24377	0.4
111.00768	1.8
113.02318	1.6
117.03377	0.6
119.03392	1.1
119.04914	0.7
120.99528	1.1
121.02841	2.0
123.00784	4.6
123.04422	3.9
124.01574	4.5
125.02332	70.5
126.02663	2.2
133.01274	0.5
133.02837	0.6
134.03642	7.7
135.02834	0.5
135.04352	1.8
137.02321	1.8
137.05988	1.8
139.00250	2.3
139.03935	1.3
139.07553	2.1
139.11235	0.7
140.01050	0.7
141.01755	0.6
147.04375	0.9
149.02225	0.5
149.05986	1.6
149.89497	0.5
150.03011	0.5
151.00285	3.0
151.03914	0.6
152.01018	0.9
152.03395	0.6
153.05498	3.0
153.06613	0.4
160.01572	1.7
161.02350	1.8
161.04489	1.3
163.03918	0.9
165.05478	0.6
166.99754	1.5
167.03410	1.6
168.00552	9.1
169.01331	100.0
170.01668	3.6
175.03891	2.4
176.39812	0.6
177.01871	2.6
178.02657	1.1
179.03427	0.7
179.07002	0.5
183.02971	2.3
183.10138	1.6
191.03400	0.9
193.04942	4.0
193.08684	0.9
197.11826	0.4
201.11217	3.0
209.04488	1.3
211.02388	3.6
212.24738	0.4
215.12785	1.0
217.05057	0.6
223.05914	0.5
225.03992	1.0
225.11252	7.2
243.12314	1.6
266.22165	0.5
269.98108	1.3
270.98776	1.3
271.04642	4.8
285.00391	1.6
285.07938	0.9
291.15857	0.6
300.99850	1.4
301.03302	1.1
313.05646	6.7
313.97076	1.5
314.00565	0.7
314.06061	0.8
315.08557	1.4
315.12054	0.8
323.13464	4.6
327.08746	2.6
327.12259	0.6
328.99307	2.3
329.02747	0.6
329.15710	0.5
331.06680	35.4
332.07053	2.7
344.01697	0.8
345.09399	0.6
345.17154	0.7
438.22647	0.5
477.06403	0.5
507.11514	28.5
507.24390	14.3
508.11115	4.3
508.24362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
59.01247	18.5
61.98692	1.4
66.55778	1.2
67.01727	1.2
69.03297	1.6
69.27644	4.3
69.28067	6.8
71.01254	9.0
72.99162	1.5
73.02819	2.0
74.98959	1.2
79.01794	2.8
80.07867	1.0
83.01247	1.8
85.02824	4.6
89.02312	4.2
95.01254	3.2
97.02832	2.3
98.20596	2.4
99.04356	1.2
99.08040	1.4
101.02312	3.6
107.01254	8.5
113.02335	3.3
117.03344	1.5
117.50729	1.1
119.03327	1.4
119.04886	1.4
123.00773	23.2
123.04369	2.2
124.01601	1.7
125.02336	45.8
126.02665	1.2
132.02025	1.2
133.02852	4.8
134.03633	27.0
135.04449	6.4
137.02348	2.1
139.00244	6.3
139.03908	1.3
140.01042	3.8
141.01797	2.2
143.07004	2.2
147.04428	5.4
148.05255	2.1
149.02318	1.6
149.06006	5.4
151.00278	16.5
153.05446	1.4
160.01575	11.8
161.02345	6.0
161.04454	1.6
163.03918	2.0
165.01796	1.6
166.99782	1.7
168.00548	4.3
169.01334	60.6
173.02238	1.2
174.03194	2.4
175.03918	33.1
176.04704	11.7
177.05368	1.1
178.02605	2.9
179.03418	3.6
179.05536	1.9
181.01408	1.4
183.02954	3.1
183.10204	3.0
191.07057	12.5
192.53546	1.1
193.05009	21.1
201.11234	1.6
207.06598	4.3
209.11884	1.1
211.02432	10.5
220.03671	1.9
221.04492	1.5
227.12883	2.5
235.06070	21.2
253.03342	2.2
265.07141	7.8
277.12152	1.5
281.06638	2.5
285.04150	1.3
295.08185	7.4
313.05640	5.2
323.07651	8.8
329.82706	1.5
331.06824	3.4
355.10300	2.4
447.09238	2.9
449.51425	1.3
463.14847	1.8
507.11438	100.0
507.23843	12.6
508.11954	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	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01238	7.0
59.64313	0.5
61.98700	2.3
67.01759	0.6
68.99680	0.4
69.03304	0.6
69.20400	4.4
69.20823	0.9
71.01254	4.7
72.99171	1.1
73.02809	1.8
75.00743	1.0
82.81563	0.5
83.01254	1.0
85.02820	1.3
87.00749	1.2
89.02312	2.2
93.03338	1.1
95.01236	0.7
97.02843	0.8
97.77711	0.4
99.00729	1.0
101.02305	3.2
107.01250	2.9
111.00751	1.4
113.02309	1.9
119.03376	0.6
119.04884	1.4
120.99580	1.4
121.02860	0.7
123.00773	1.8
123.04379	2.2
124.01550	2.5
125.01456	1.0
125.02334	17.0
127.00258	0.7
134.03592	1.1
135.04411	1.9
136.98805	0.9
137.02336	1.3
139.00275	2.9
139.03865	1.4
139.11026	0.5
140.01038	3.0
149.02303	1.3
149.06075	0.8
151.00278	3.1
152.00908	0.6
153.01910	0.5
153.05409	0.6
161.02307	1.7
161.04466	1.3
163.03920	0.5
164.04652	0.6
165.01819	0.8
165.88617	0.4
167.03410	1.2
168.00551	11.1
169.01332	28.8
169.05020	0.9
170.01617	0.7
174.03133	2.0
175.03903	6.3
177.01781	0.6
179.03377	0.7
181.01308	0.5
181.76585	0.4
183.02968	1.1
183.10156	1.2
184.35896	0.5
193.01369	0.6
193.04987	0.6
205.04967	0.8
211.02403	53.6
212.02740	2.8
223.06126	0.8
229.01328	1.0
241.03493	1.4
245.01204	0.6
271.04578	100.0
272.04916	5.5
299.99081	0.9
301.00024	0.8
313.05606	0.7
315.18085	0.7
327.08521	0.6
331.06668	22.3
332.07053	1.6
369.09964	0.7
371.06158	0.6
477.23233	0.8
507.11328	6.3
507.20389	1.0
508.11438	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	507.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67517	0.3
57.03292	0.3
59.01245	1.7
60.23015	0.3
61.98703	2.4
61.98993	0.4
71.01256	0.5
71.51278	0.3
75.00709	0.3
78.95744	0.3
85.02783	0.5
86.03100	0.3
89.02323	0.3
109.06448	0.5
121.02850	0.3
125.02329	0.8
131.03406	0.4
145.54088	0.3
161.02271	0.4
163.07475	0.3
170.82693	0.3
177.56409	0.3
189.01805	0.5
199.64511	0.3
217.06557	0.3
219.04437	0.4
224.04915	0.3
224.55176	0.3
233.05977	0.5
244.43207	0.3
245.06027	0.9
246.54362	0.7
261.05573	0.7
263.07062	0.8
272.04831	1.9
273.05594	2.0
289.05038	1.8
300.04272	4.5
301.05029	55.2
302.05414	5.9
316.03732	1.3
317.04468	2.3
331.06146	0.3
344.03226	0.9
345.04007	100.0
346.04343	11.6
361.07275	0.3
462.33423	0.4
506.31787	0.9
507.09305	8.4
507.33939	1.5
508.09750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39049	0.2
59.01244	1.5
60.61258	0.2
61.98691	0.6
67.60361	0.2
70.64592	0.2
71.01245	1.3
71.50616	0.3
73.02811	0.3
75.00747	0.4
83.01243	0.3
85.02815	0.6
87.00734	0.4
89.02329	0.5
93.03322	0.4
96.95887	0.8
97.02843	0.3
101.02330	0.3
109.02837	0.5
111.00764	0.3
113.02332	0.5
119.03448	0.3
119.04915	0.7
120.05244	0.3
121.02843	0.4
122.03625	8.6
125.02322	1.0
133.02812	0.5
135.04425	0.9
137.02328	0.3
139.00290	0.3
149.05821	0.3
151.03940	0.2
152.03435	100.0
153.03770	3.9
161.02351	1.5
162.02727	0.6
163.03893	0.2
169.01332	1.0
173.04619	0.3
179.03488	0.6
193.05034	0.3
201.11232	0.3
248.43188	0.2
300.03027	0.3
313.05682	0.4
323.07269	0.3
324.07907	0.5
489.17722	0.4
506.13263	0.6
507.11768	1.3
507.21039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0779
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
50.57407	0.2
59.01255	2.5
63.02249	0.2
65.00190	4.0
69.45200	1.7
71.01256	2.4
72.99169	0.4
75.31178	0.2
81.03341	0.7
85.02800	1.2
86.02860	0.2
87.00758	0.4
89.00196	0.7
89.02316	0.4
91.01766	0.7
93.03345	0.3
95.01263	0.6
97.02828	2.9
99.00748	0.6
101.02327	0.4
103.00254	0.3
104.27158	0.2
107.01248	0.7
107.04919	1.2
108.02022	0.4
109.02833	10.3
109.99972	0.6
110.03152	0.4
113.02361	1.2
119.01278	0.4
119.04922	1.1
121.02861	1.6
123.00755	0.7
124.01572	0.5
125.02345	2.9
132.02104	0.3
133.02803	0.3
134.03633	0.8
135.00775	0.5
135.04419	3.5
136.04729	0.2
137.02341	27.3
138.02666	1.1
139.00276	0.4
139.03909	0.4
145.02946	0.3
147.00774	0.3
147.63643	0.2
149.99507	1.4
151.00304	1.5
152.01065	0.4
154.02640	0.4
155.03415	0.4
160.01517	1.5
161.02322	0.3
163.00302	1.9
163.03860	0.6
164.01068	2.1
165.01840	38.4
166.02139	1.7
169.04980	0.4
175.02461	0.5
175.03917	2.2
177.01865	0.3
178.99780	0.5
179.03427	4.0
183.03000	0.4
188.04659	0.3
189.01958	0.2
190.02652	0.5
191.03221	0.3
192.00562	1.1
193.01346	5.9
193.03400	1.1
193.04961	0.4
194.01723	0.4
198.03140	0.5
203.03427	0.3
205.04919	0.4
207.02969	0.7
208.03197	0.3
213.01717	0.3
214.02637	0.8
215.03323	0.5
222.08939	0.8
223.09731	1.0
226.02586	1.2
227.03410	0.4
231.03003	0.5
232.03784	0.4
233.04317	0.3
237.11298	0.6
241.01340	0.5
241.05042	0.6
242.02158	2.8
243.02948	1.2
244.03729	0.9
245.00893	0.3
248.78065	0.3
257.04413	0.6
259.02496	2.7
269.04376	0.3
270.01694	3.3
271.02414	2.1
272.03033	0.4
275.05670	0.9
285.04102	1.6
287.01965	12.1
288.02457	1.6
299.01968	0.4
303.04938	0.4
309.14844	0.5
313.03607	2.9
315.01462	1.5
316.02209	15.3
317.02597	1.3
330.03973	1.4
331.04575	100.0
332.04916	10.3
337.09265	0.4
345.17010	4.3
346.16974	0.3
389.25360	0.4
457.28021	0.3
472.41614	0.2
507.07831	15.0
507.14575	0.5
508.08121	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	506.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.1
55.28896	0.1
55.43568	0.1
55.72151	0.1
57.03313	0.3
59.01246	5.3
61.98689	0.5
69.15459	1.7
71.01250	3.3
72.99166	0.2
73.02818	0.6
75.00736	0.2
83.01268	0.3
85.02821	0.8
89.01772	0.2
89.02316	3.4
91.01751	0.2
95.01308	0.2
99.00764	0.3
101.02312	1.9
108.02050	9.6
109.02354	0.3
113.02351	0.9
118.59303	0.2
119.01289	0.5
119.03387	0.4
119.04922	0.3
120.90220	0.1
121.02834	0.3
125.02377	0.4
131.03386	2.3
132.02058	0.4
134.03651	0.5
135.04424	0.7
137.02354	0.3
138.01863	100.0
139.02238	2.7
143.03378	0.2
145.02905	0.2
147.00769	0.3
149.02356	0.5
149.04442	1.8
151.02682	0.2
159.04390	0.3
160.01552	1.8
161.02246	0.2
161.04500	0.4
162.08183	0.2
163.27983	0.2
164.04672	0.3
165.01854	0.2
165.09062	0.2
167.03401	0.6
167.10675	0.4
168.03754	0.3
173.04494	0.2
175.00275	2.9
175.03915	1.9
177.05579	0.2
179.03412	0.5
179.05519	0.6
190.02635	6.0
191.02995	0.3
191.05508	1.3
193.01306	0.2
193.04956	0.4
205.03069	0.2
205.05014	4.1
206.05441	0.3
207.02876	0.2
215.96568	0.2
223.06099	0.5
245.06111	0.2
268.03815	0.5
269.04080	0.4
271.02484	0.2
284.06503	0.5
285.59323	0.2
307.06110	0.2
315.04596	0.3
315.18182	0.4
321.35254	0.2
330.07150	0.4
342.14438	0.4
343.14572	0.5
344.14868	0.2
345.04129	0.5
367.10379	1.2
373.22147	0.2
386.13470	0.4
422.30209	0.2
427.10358	0.7
447.22464	0.6
503.08521	0.2
505.26648	0.2
505.34897	0.7
506.26917	0.2
506.36020	0.3
507.22495	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	506.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51712	3.1
59.01236	5.1
59.95048	3.1
61.98704	84.3
98.19740	6.6
109.27619	3.4
128.80899	3.4
161.02336	7.7
176.70576	3.2
189.01804	11.9
194.09073	3.3
203.64615	3.9
209.13860	3.2
239.07121	9.5
281.08264	7.4
301.05109	4.6
345.04059	28.5
346.04733	59.9
347.05371	6.8
355.98212	3.4
367.06104	10.6
368.06595	4.2
370.04782	8.8
371.05493	12.9
372.06030	5.3
381.07700	6.9
382.08353	19.0
396.06250	6.7
399.08722	14.9
400.09512	7.9
407.09021	4.6
410.08490	4.3
425.10352	52.4
426.10428	7.1
443.11380	100.0
444.12119	16.0
457.87183	4.1
467.48795	3.5
489.30533	3.5
505.35126	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	506.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25256	0.6
61.98699	100.0
68.87388	0.6
69.91857	2.9
74.01134	0.5
76.26806	0.5
82.89611	0.6
179.23940	0.6
189.02010	0.8
197.35692	0.6
305.04428	2.8
346.04761	2.7
443.11414	4.5
495.67941	0.6
505.35159	0.9
506.35175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00499	0.5
58.32692	0.6
59.01247	2.2
59.68830	0.6
61.98700	100.0
71.01259	0.6
71.49787	0.7
83.01867	0.5
111.60735	0.5
121.02863	2.3
139.03909	1.0
157.51094	0.6
181.01247	0.6
184.27783	0.6
197.09457	0.5
210.90895	0.7
284.07550	0.6
285.81985	0.6
302.98123	0.6
423.32022	1.3
441.33521	0.7
443.11526	1.2
454.56436	0.6
487.33325	0.9
505.27023	1.0
505.34821	4.4
506.26633	2.5
506.35046	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	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81038	0.2
57.03318	1.0
58.00473	0.4
59.01247	3.6
60.13290	0.2
61.98692	0.9
69.03341	0.3
69.20921	2.3
71.01251	3.4
71.04871	0.5
72.99165	0.3
73.02807	1.1
75.00743	0.3
83.01256	0.4
83.04940	0.3
85.02816	1.0
87.00745	0.8
88.98672	0.6
89.02326	1.6
93.03339	2.7
95.04919	0.3
97.06466	0.5
98.19801	0.6
99.00777	1.4
99.04379	0.4
101.02315	1.9
102.98438	0.6
104.98046	0.3
105.01794	0.4
109.01508	0.3
109.02802	0.3
111.00754	0.3
111.04421	0.5
113.02316	0.6
118.98005	0.4
121.02824	0.8
123.04381	0.4
125.02317	0.5
125.09586	0.3
133.02815	0.7
135.04410	0.3
137.02348	4.2
139.11191	0.8
141.12747	0.6
147.02879	1.4
155.14253	0.3
161.02342	0.8
161.04453	0.6
173.04456	0.9
174.03154	0.6
175.03914	3.3
176.04210	0.9
177.01875	4.3
178.02243	0.4
182.04573	0.3
185.10251	0.3
185.11772	4.2
186.12160	0.3
187.03963	1.3
189.01714	0.2
189.57854	0.2
191.05510	0.7
195.06544	0.3
199.13255	0.3
209.11745	0.7
210.12189	0.3
213.01808	0.5
252.04268	0.3
271.10147	0.3
283.13458	0.4
284.13635	0.4
297.24335	1.5
299.02203	0.3
307.06073	0.9
309.24304	1.8
311.25836	0.3
313.03580	0.3
321.24338	0.5
325.23953	1.1
327.25366	15.3
328.16864	0.3
328.25653	1.5
337.03455	1.1
337.53412	0.3
339.25363	3.7
340.25540	0.3
355.24899	1.3
357.26428	100.0
358.20084	0.4
358.26773	10.7
375.29034	1.3
387.28949	0.3
399.29181	0.3
405.30188	4.4
406.30298	0.6
411.29132	0.4
413.30704	0.6
415.06015	0.5
418.18677	0.2
424.06271	1.1
424.56335	0.4
427.32581	0.3
431.31729	0.9
439.32132	0.5
441.29752	0.6
443.04123	1.0
446.08292	0.2
457.33365	0.7
459.30951	1.8
460.31860	0.3
461.32779	1.5
475.34329	0.8
485.33255	0.5
487.34229	0.7
505.30273	16.4
505.35764	10.2
506.29352	2.9
506.36139	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	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03313	2.2
58.00453	0.7
59.01249	14.4
60.84016	0.5
68.99688	0.5
69.03325	1.0
70.69572	0.5
71.00851	0.8
71.01250	16.2
71.26020	1.0
71.26379	0.8
72.99172	4.9
73.02814	1.4
75.00744	15.7
83.01277	0.8
85.02819	21.2
86.03135	0.6
87.00748	5.8
89.02314	4.0
90.50939	0.5
95.01251	6.1
98.20485	0.6
99.00759	9.6
101.02318	0.7
103.00249	2.3
111.00747	0.6
113.02325	30.6
114.02631	0.7
115.00266	1.3
117.01797	1.9
129.01822	1.4
129.87308	0.5
131.03375	1.0
173.18394	0.5
175.02426	3.0
193.03438	0.6
205.07098	2.9
223.08127	1.1
231.05037	1.0
237.22247	0.6
249.06125	5.5
255.23270	73.7
256.23593	6.7
267.07141	6.1
487.29095	2.8
505.30219	100.0
506.30545	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	505.3018
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01723	1.3
57.03301	1.3
58.00456	0.9
59.01249	48.6
61.98675	2.0
64.04530	0.4
65.99823	0.4
69.03294	0.6
71.01251	17.5
71.22402	0.7
71.22746	0.5
72.99159	0.7
73.02821	5.9
81.09735	0.4
83.01238	2.1
83.04887	0.4
85.02826	7.8
87.00712	1.3
89.02319	4.1
93.03312	1.0
95.01222	1.5
97.02766	0.9
97.05061	0.4
99.00747	2.5
101.01737	0.8
101.02318	10.8
108.02052	0.5
109.02799	0.5
109.06406	0.7
111.00726	0.6
113.01644	0.5
113.02328	5.4
119.03357	1.1
123.04269	0.8
125.02179	0.5
133.02798	1.0
137.02267	0.5
141.12653	0.9
143.03258	0.6
155.03355	0.5
156.22249	0.4
159.02863	0.9
161.04430	4.0
173.04340	1.2
174.03180	1.0
175.03918	4.7
187.03902	0.7
209.11658	1.2
211.13254	0.5
211.20555	0.8
230.90311	0.4
237.22171	2.0
239.20073	5.2
298.60013	0.5
343.28314	0.5
357.26270	2.7
367.26163	0.4
375.28729	0.6
387.29086	0.5
405.30164	3.3
406.30060	0.8
413.30557	0.6
427.26819	0.7
445.27890	1.4
459.31085	1.1
475.34320	0.7
485.32727	0.7
487.27661	4.0
487.33957	1.7
488.29147	0.6
505.29813	100.0
506.30090	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	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04882	0.7
57.03230	2.2
57.03510	1.1
59.01146	9.0
59.01482	2.4
67.01683	0.8
68.99592	0.9
71.01142	12.5
71.01567	1.8
72.99067	5.4
73.02715	0.8
75.00631	15.9
75.01090	2.0
83.01166	0.9
85.02703	14.8
85.03285	1.5
87.00625	7.0
89.02194	2.7
93.03194	0.7
95.01148	4.2
98.19762	1.4
99.00629	7.9
103.00157	1.7
107.01180	1.0
111.00671	0.8
113.02323	21.4
115.00169	1.7
117.01694	2.0
124.01476	1.0
129.01768	0.8
135.00711	0.9
136.01437	1.5
139.03795	2.0
146.23076	0.7
157.01224	1.1
163.00168	2.0
165.01788	0.9
175.02330	3.7
177.01840	0.8
205.07092	1.2
223.07985	0.9
231.04976	2.3
249.06125	17.4
255.23257	100.0
256.23618	8.1
267.06958	4.5
283.09790	1.9
346.97891	0.7
394.65451	0.8
445.28369	1.2
487.29642	3.2
505.30786	86.1
506.31174	12.4
515.11279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2599
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.27884	0.5
57.03317	1.0
59.01244	7.4
61.98702	0.6
66.62352	0.6
68.99687	1.0
71.01260	6.4
72.99177	2.1
75.00746	7.9
77.61923	0.6
79.01762	1.3
85.02820	8.2
87.00745	2.4
89.02319	1.4
95.01260	4.3
99.00755	4.0
103.00262	1.2
105.03313	1.1
105.33725	0.6
107.01299	5.0
108.02062	1.5
113.02334	10.2
115.00272	1.0
117.01800	1.3
119.04928	0.8
123.00760	1.2
123.04491	0.6
124.01534	1.6
129.01852	0.8
130.48141	0.5
131.50809	0.6
135.00787	6.3
135.04395	1.1
136.01558	18.4
137.02318	2.0
138.03101	0.9
138.31879	0.5
139.03893	2.9
145.02859	2.9
147.04475	0.8
149.02361	2.2
150.03117	0.5
151.00278	3.2
153.05502	1.8
163.00270	15.6
163.03929	1.2
163.67386	0.5
164.01067	12.7
165.01836	1.0
169.06506	2.9
171.04436	1.1
175.02428	1.2
177.01868	5.5
179.03453	1.6
191.03462	1.2
197.04443	0.7
198.06834	1.5
201.09140	2.1
226.06259	0.8
227.07179	0.6
231.05020	0.9
239.07043	1.8
240.07816	2.8
241.08568	1.8
249.06129	7.5
255.23271	43.4
256.23630	3.9
258.77057	0.7
267.06644	17.0
268.07364	6.3
269.08005	2.6
281.08182	1.4
283.09750	14.3
284.06854	0.7
284.10077	1.8
293.93311	0.6
359.22375	4.2
366.38986	0.7
487.24677	7.6
488.24850	1.4
505.25092	100.0
506.25729	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	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40628	0.8
55.01750	2.1
57.03339	1.3
58.00468	2.2
59.01246	100.0
61.98709	1.3
68.90726	0.7
69.35690	4.1
69.36114	2.5
71.01249	51.7
72.99172	1.6
73.02818	7.8
83.01254	3.5
85.02825	11.5
87.00728	2.0
89.02310	57.0
89.56551	0.7
90.02634	1.1
90.28141	0.7
95.01251	2.1
95.26215	0.9
97.02818	1.0
99.00763	5.1
101.02314	32.4
113.01620	1.2
113.02332	12.6
114.02663	0.8
119.03372	8.7
119.04833	1.3
121.02850	1.3
123.04352	1.5
125.02315	3.1
131.03387	43.2
135.04398	1.6
137.02332	1.0
137.05936	0.8
143.03372	1.8
147.04395	1.0
148.01534	0.9
149.02356	2.9
149.04449	41.1
150.03087	1.5
150.04752	0.9
153.63246	0.7
159.02937	1.4
159.04298	0.9
161.02293	1.0
161.04468	6.9
163.03883	1.1
164.04727	1.2
165.05458	2.5
175.00288	4.8
175.03897	1.7
177.01814	1.5
179.05467	3.6
179.06827	1.0
189.01740	0.8
190.02640	10.3
191.05522	26.3
192.05751	1.0
205.01329	0.7
205.04991	7.5
221.06563	1.4
223.06039	2.5
225.14926	2.2
251.07617	1.6
293.08936	1.6
313.16492	6.5
328.13101	3.0
343.04449	1.1
343.15375	9.6
344.15918	1.4
441.26321	0.8
445.20551	5.8
446.20990	1.6
505.10013	1.3
505.17236	5.7
506.18018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42712	0.1
57.34789	0.1
59.01250	2.1
61.98692	0.6
69.20892	0.3
69.21294	1.4
71.01247	1.1
73.02820	0.3
80.96415	0.2
85.02833	0.5
87.00774	0.3
89.02303	0.6
93.03357	0.3
98.20591	0.3
99.00740	0.2
101.02308	0.6
102.98481	0.4
108.02047	0.3
109.02849	0.2
113.02321	0.5
117.03361	0.2
118.97982	0.1
119.04905	0.3
121.02833	0.3
123.04388	0.3
125.02315	0.2
130.04121	0.4
131.04930	4.4
132.05243	0.4
133.02792	0.3
134.03587	0.2
135.04399	0.3
136.07591	0.3
137.02304	0.3
138.01878	1.6
138.02994	0.2
138.05438	0.2
143.03351	0.2
147.04425	1.4
149.02373	0.2
151.03958	0.2
157.02826	0.3
158.03593	0.4
159.04398	0.5
160.01631	0.3
161.02339	0.3
161.04442	0.3
165.01854	0.2
165.09090	0.2
167.07191	0.1
173.02361	0.5
173.04456	0.3
174.03146	10.6
175.03922	100.0
176.04276	7.5
177.01872	0.4
177.04333	1.2
183.10211	0.3
185.11838	0.8
190.02711	0.3
191.05586	0.3
197.11787	0.2
199.13344	0.4
205.04970	0.2
208.48204	0.2
209.11760	0.2
217.04973	0.2
225.11409	0.2
227.12866	0.3
293.09406	0.2
327.21658	0.2
329.13983	0.2
357.26526	0.3
385.13196	0.4
387.24097	0.3
490.18478	0.2
505.20319	2.8
505.25980	0.4
505.32306	0.2
506.20627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.8
56.68307	1.5
57.03307	2.6
57.93391	1.2
59.01246	51.8
59.90249	1.3
61.98690	5.1
71.01250	31.3
71.50434	1.3
72.99191	3.5
73.02813	11.3
82.59935	1.1
83.01241	4.7
84.14548	1.3
85.02359	1.3
85.02821	15.8
87.00741	4.2
89.02312	13.3
92.02567	1.5
93.03337	49.8
94.03664	1.6
95.01266	5.3
95.04935	1.7
99.00745	4.5
101.02318	19.2
105.03233	1.5
107.04896	2.5
108.02042	3.8
109.02805	4.8
109.96334	1.2
113.02331	14.8
113.05960	1.3
119.03381	4.2
119.04871	2.8
121.02838	2.9
123.04405	18.9
125.02346	4.8
131.03409	9.2
132.02055	4.2
133.02818	2.6
134.03604	10.5
135.04456	9.4
136.01552	20.1
137.02339	93.1
138.02654	1.8
143.03360	2.3
147.04443	1.7
149.02347	4.2
149.04460	3.7
149.05927	2.4
150.11653	1.4
151.03932	8.6
152.04710	7.4
153.01865	1.7
159.02905	1.3
160.01578	17.9
161.02307	2.8
161.04465	10.5
163.03941	1.7
167.03381	4.1
167.07010	4.1
175.00323	1.9
175.02524	2.3
175.03932	27.4
178.02675	2.7
179.03413	83.9
179.55209	1.6
180.03780	3.3
181.08585	3.2
181.12192	1.3
187.88168	1.3
190.02623	5.6
191.03474	2.1
191.05487	2.4
193.04977	7.7
205.04977	6.0
209.04485	31.7
217.04819	1.7
227.03363	2.4
231.06679	1.4
239.05574	100.0
240.05872	4.4
241.02844	1.5
255.02919	1.9
271.02374	1.9
276.87918	1.4
281.06708	1.6
285.17026	5.9
299.07703	14.3
313.16589	35.1
314.16867	2.9
329.03067	1.5
337.09290	13.4
343.15588	14.8
344.15604	2.1
387.23962	2.7
417.13663	2.0
445.20779	11.6
461.12360	3.1
505.10080	1.6
505.15720	6.5
505.22815	5.5
506.17297	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	505.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
58.00459	0.9
59.00954	0.6
59.01249	9.3
61.98713	1.4
65.00196	0.3
65.03229	0.2
66.89342	0.2
69.18092	2.4
71.01249	5.1
72.99160	0.4
73.02812	0.9
74.98982	0.4
75.00721	0.5
81.03333	1.5
83.01256	1.1
85.02810	1.7
85.75080	0.3
87.00783	0.3
89.02313	4.4
93.03333	3.5
95.01279	0.5
95.04960	0.4
99.00751	0.7
101.02325	3.4
102.98453	0.2
107.04906	0.3
109.02797	0.6
111.08052	0.3
113.02326	2.0
115.05420	24.3
116.05756	1.0
119.03391	1.1
119.04907	0.2
121.02802	0.7
123.04407	7.4
123.08001	0.4
124.04720	0.3
125.02346	2.3
125.05962	0.8
131.03363	2.0
131.04912	0.9
133.02835	0.6
134.03616	0.3
135.04382	1.4
137.02347	6.4
138.02654	0.3
139.07547	5.0
149.02356	0.8
149.04456	1.6
149.05978	0.5
150.03107	0.5
151.00249	0.6
153.05476	0.4
158.03645	3.1
159.04420	100.0
160.01585	0.5
160.04745	5.0
161.02341	0.8
161.04486	0.6
161.06018	0.7
163.03871	0.5
164.04680	0.5
165.05461	0.5
165.09137	0.6
167.03407	21.7
167.07043	2.8
168.03748	1.0
169.12292	0.3
174.03105	0.6
175.00215	0.5
175.03955	2.4
176.01065	0.5
177.01839	5.4
177.05432	1.4
179.03470	0.3
179.05399	0.3
181.12103	0.3
183.10188	9.0
184.10513	0.5
190.02693	1.4
191.03485	0.3
191.05525	1.1
197.11780	4.6
205.04973	1.4
206.09442	0.6
207.10138	0.3
225.11263	5.8
225.14870	0.6
226.11708	0.5
253.05026	0.3
255.12358	1.5
271.02390	0.5
285.13370	1.0
299.05389	0.3
300.02756	0.4
313.16501	0.7
315.04980	1.4
329.02911	0.3
337.09369	0.9
343.04578	1.7
343.15552	4.0
373.21405	0.3
445.20795	1.0
487.24600	0.3
505.15613	0.6
505.21155	0.5
505.26779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37371	0.9
55.01763	1.8
57.03316	2.0
59.01247	40.1
61.98690	2.9
66.36436	1.1
68.67849	1.3
69.23502	7.2
69.23923	3.2
69.39966	1.1
71.01254	25.1
72.99195	2.0
73.02811	6.8
73.18268	1.0
73.31996	1.0
75.00742	1.9
81.81187	1.0
83.01263	2.5
83.04934	1.3
85.02821	11.2
87.00774	2.9
89.02333	9.5
89.81895	1.1
93.03329	35.7
95.01292	3.2
95.04947	1.2
97.02837	1.7
97.06495	1.0
98.00719	1.1
99.00769	3.0
100.42451	1.0
101.02325	19.8
107.04910	2.1
108.02050	2.8
109.02817	3.5
110.74709	1.1
113.02318	11.9
116.65936	1.2
118.95998	1.1
118.98015	1.4
119.03416	3.1
119.04932	3.2
121.02850	2.2
122.03616	2.2
123.04401	17.7
125.02340	3.4
131.03395	8.7
131.79422	1.1
132.02072	2.9
133.02838	2.5
134.03647	6.3
135.04431	7.4
136.01564	17.9
137.02344	100.0
138.02693	4.4
143.03432	1.3
145.02873	1.2
149.02365	3.6
149.04439	2.7
149.05928	1.6
151.03877	7.5
151.29674	1.2
152.00972	1.1
152.04718	3.0
159.02884	1.3
160.01549	13.3
161.02293	3.9
161.04448	7.7
163.03880	2.1
167.03429	2.8
167.07089	2.8
174.03036	1.1
175.00336	1.8
175.03920	18.9
176.04305	1.1
178.02582	2.4
179.03413	79.2
180.03830	3.2
190.02626	4.2
191.03404	2.2
191.05525	2.4
193.05005	7.7
205.04977	4.9
209.04489	27.9
210.05019	1.6
239.05568	85.5
240.05940	4.4
271.02551	1.4
285.04102	1.2
285.17102	4.3
299.07578	12.2
301.03589	1.1
311.07584	1.5
313.16571	22.6
314.16888	2.4
329.02963	1.9
337.09271	12.3
343.15485	15.8
344.15686	1.5
367.10147	1.4
387.24039	2.5
406.99597	1.1
445.20844	8.5
461.12585	1.2
505.10623	1.7
505.16528	4.2
505.23422	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.5
59.01246	44.4
61.98701	6.1
61.98958	0.9
64.09556	0.8
67.01738	1.1
69.20369	9.0
71.01250	23.8
71.04892	0.9
72.99171	1.8
73.02811	5.9
75.00741	1.2
83.01225	2.4
85.02834	6.6
86.03060	0.8
87.00740	3.1
89.02312	20.5
89.03826	1.4
91.01756	1.2
93.03299	2.9
95.01259	1.8
97.02827	1.3
99.00744	3.2
101.01703	1.4
101.02317	17.6
105.03331	1.9
107.04908	1.6
109.02822	2.1
113.02329	7.8
117.03341	2.9
119.01276	5.6
119.03418	3.9
119.04897	5.7
120.99503	1.1
121.02817	4.3
123.04400	1.6
125.02317	3.6
131.03389	12.8
133.02844	9.3
134.03609	2.0
135.04405	3.6
137.02298	3.6
137.05928	1.7
139.03822	1.1
143.03302	1.4
145.02859	8.6
145.50748	0.8
147.00764	5.8
147.04425	1.5
148.01500	1.2
149.02347	16.7
149.04385	7.5
150.03131	2.0
151.03882	1.3
152.00926	0.9
153.01903	1.2
155.03311	0.9
159.04468	0.8
160.01614	1.0
161.02289	2.3
161.04453	5.7
161.05641	0.8
163.03961	5.0
164.04671	14.5
165.01840	1.9
165.05353	1.4
167.04980	0.8
173.04407	3.6
174.98798	1.8
175.00275	29.3
175.03864	6.6
176.00995	4.5
177.01845	63.9
178.02258	4.0
179.03326	2.2
179.05511	1.8
179.07014	2.0
181.01382	2.0
181.04898	1.0
182.02109	1.0
189.01988	1.3
190.02637	73.3
191.03352	9.1
191.05353	6.8
194.02054	0.9
197.04478	1.8
205.04988	70.2
206.05432	4.5
208.03685	1.4
209.04413	5.2
211.03773	1.1
221.08054	2.3
223.06033	15.8
236.03397	1.0
243.15849	0.8
251.05499	2.2
255.02927	1.5
259.06021	1.3
261.21844	0.8
265.07242	4.0
287.05627	2.4
295.08139	1.2
303.05228	1.1
307.08282	1.5
311.07629	2.5
313.16559	13.0
329.03018	2.2
331.04581	5.8
343.15396	2.0
360.52332	0.9
387.23834	3.1
410.05249	0.9
445.20709	7.9
490.14468	2.5
505.16986	100.0
506.17258	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	505.1351
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
55.01755	1.3
57.03301	1.4
59.01247	14.4
62.16647	1.1
69.58141	8.6
70.67352	1.1
71.01248	13.3
73.02810	4.1
83.01251	1.7
85.02818	4.7
87.00735	1.8
89.02306	4.5
89.03880	1.3
93.03345	2.9
95.01282	2.5
95.04919	3.5
99.00760	1.9
101.02316	7.0
102.98412	1.9
108.02003	2.5
109.02822	5.3
113.02335	6.2
114.48709	1.4
117.03349	1.2
119.04915	20.8
121.02845	4.2
122.03628	18.8
123.00755	2.2
123.04400	12.7
125.02328	4.6
131.03406	1.9
132.02066	17.9
133.02852	5.2
134.03622	18.4
135.04413	4.8
136.01553	5.2
137.02339	8.0
137.05946	2.2
145.02818	1.4
149.04787	1.3
149.06001	7.7
151.00261	2.0
151.03877	8.5
160.01567	88.7
161.02344	26.2
161.04453	4.3
163.03918	20.5
166.99757	1.4
174.03111	1.4
175.03920	100.0
176.04269	5.0
177.05534	2.9
179.03386	3.9
181.01421	1.4
181.05005	3.3
181.08618	11.1
193.05000	9.2
197.04480	3.3
243.02728	1.7
257.08264	1.5
271.02530	2.0
285.55228	1.3
299.09235	1.4
300.02759	2.8
301.03516	2.0
323.07599	6.7
327.07172	1.9
337.09274	17.7
338.09402	1.4
341.08838	6.9
343.11893	12.3
343.15570	2.2
344.11615	1.4
372.20847	2.5
375.12170	1.3
461.14542	91.2
462.14615	11.1
473.10745	3.3
505.13428	27.6
506.13623	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03316	1.4
58.00455	0.4
59.01247	13.8
61.79476	0.5
61.98692	1.2
64.54168	0.4
68.07208	0.5
69.03324	0.6
70.37606	1.0
70.38004	0.8
71.01252	8.2
72.99171	1.2
73.02820	3.9
75.00753	1.3
79.95607	1.0
80.02541	0.6
81.03339	0.6
83.01255	0.9
85.02825	3.4
87.00771	0.7
89.02335	2.7
93.03323	7.4
95.01266	1.7
95.04894	1.3
96.95895	4.6
97.02777	0.4
99.00755	1.3
101.02312	4.6
107.04871	0.5
108.02048	38.2
109.02827	1.9
111.00738	1.0
113.02323	2.6
117.03339	0.8
119.04919	4.8
121.02852	1.3
123.00742	1.3
123.04402	15.8
125.02341	1.8
131.03436	0.5
132.02054	10.5
133.02859	7.8
134.02654	0.8
134.03636	12.7
134.69077	0.5
135.04427	6.5
136.01581	2.3
137.02338	17.7
137.05977	0.8
143.06964	0.5
145.02873	2.6
147.04445	0.8
149.02332	1.1
149.05997	4.0
151.00272	1.5
151.03886	1.4
152.01053	77.2
153.01326	2.6
153.09109	0.6
154.01363	0.9
159.04411	0.8
160.01561	42.4
161.02344	20.3
161.04469	1.8
162.02666	1.2
163.03882	2.8
165.01831	4.4
165.05481	2.5
166.02620	2.8
167.03404	100.0
168.03723	4.6
169.01344	0.6
174.03111	0.7
175.03912	46.3
176.04305	3.0
177.01871	1.0
177.05463	1.1
178.02609	1.4
179.03413	14.5
179.06923	2.8
179.10693	0.5
180.04198	2.1
181.04994	3.8
181.08621	1.7
183.10085	0.5
191.03404	0.6
191.05353	0.6
191.07092	0.7
193.04976	9.4
194.05363	0.5
195.06528	3.8
202.02621	0.7
205.12199	0.5
209.04442	4.2
217.05008	1.3
219.02895	1.1
221.04488	1.5
225.07634	2.3
227.12843	1.8
234.05199	0.5
239.05556	9.3
255.03043	1.3
271.02484	2.6
271.05762	0.5
275.01953	0.5
277.06958	0.6
279.08740	0.9
283.15118	0.7
299.07715	2.0
300.02661	3.0
301.03455	0.8
323.07700	12.2
323.13507	1.8
324.08032	1.3
327.07297	0.7
337.09265	53.9
338.09592	4.0
343.15509	2.8
373.22299	1.5
387.23926	1.3
389.25348	0.6
457.14996	1.7
505.12817	3.8
505.21881	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	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03301	1.4
59.01247	14.4
62.16647	1.1
69.58141	8.6
70.67352	1.1
71.01248	13.3
73.02810	4.1
83.01251	1.7
85.02818	4.7
87.00735	1.8
89.02306	4.5
89.03880	1.3
93.03345	2.9
95.01282	2.5
95.04919	3.5
99.00760	1.9
101.02316	7.0
102.98412	1.9
108.02003	2.5
109.02822	5.3
113.02335	6.2
114.48709	1.4
117.03349	1.2
119.04915	20.8
121.02845	4.2
122.03628	18.8
123.00755	2.2
123.04400	12.7
125.02328	4.6
131.03406	1.9
132.02066	17.9
133.02852	5.2
134.03622	18.4
135.04413	4.8
136.01553	5.2
137.02339	8.0
137.05946	2.2
145.02818	1.4
149.04787	1.3
149.06001	7.7
151.00261	2.0
151.03877	8.5
160.01567	88.7
161.02344	26.2
161.04453	4.3
163.03918	20.5
166.99757	1.4
174.03111	1.4
175.03920	100.0
176.04269	5.0
177.05534	2.9
179.03386	3.9
181.01421	1.4
181.05005	3.3
181.08618	11.1
193.05000	9.2
197.04480	3.3
243.02728	1.7
257.08264	1.5
271.02530	2.0
285.55228	1.3
299.09235	1.4
300.02759	2.8
301.03516	2.0
323.07599	6.7
327.07172	1.9
337.09274	17.7
338.09402	1.4
341.08838	6.9
343.11893	12.3
343.15570	2.2
344.11615	1.4
372.20847	2.5
375.12170	1.3
461.14542	91.2
462.14615	11.1
473.10745	3.3
505.13428	27.6
506.13623	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0988
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01741	0.4
57.03305	0.8
59.01248	4.9
61.98685	0.4
63.02265	0.4
65.00188	0.6
69.25656	3.1
71.01250	6.9
72.99160	0.4
73.02821	2.6
78.21757	0.3
83.01263	1.5
85.02814	2.8
87.00733	0.5
89.02312	2.3
91.01780	0.3
93.03333	0.9
95.01269	0.7
96.95912	0.3
97.02812	0.4
99.00739	1.2
101.02317	5.1
107.01293	2.6
108.02066	1.4
109.02843	1.2
111.00782	0.7
113.02338	2.5
115.03940	0.4
119.03426	0.6
119.04910	0.9
121.02812	1.7
123.04408	0.5
125.02357	2.2
131.03355	0.6
135.00748	0.7
135.02892	0.4
135.04402	0.9
148.01595	1.4
149.02312	0.4
149.04431	0.5
150.99146	0.6
151.00270	7.9
151.03888	0.7
152.00798	0.3
159.02966	0.5
159.04395	0.6
161.02377	0.6
161.04462	3.2
163.00259	1.7
163.03934	0.4
164.01004	0.9
169.01335	1.0
171.58659	0.3
174.03030	0.3
175.03947	0.8
177.01900	0.4
178.99789	3.7
181.08575	0.7
183.04309	0.4
183.57341	0.3
187.03865	0.5
190.99840	0.4
191.05536	0.6
198.03072	0.4
199.03903	1.0
201.05432	0.4
203.03505	0.4
211.03946	0.9
213.05264	0.4
215.03499	0.6
216.04158	0.6
226.02612	1.6
227.03447	3.0
228.03889	0.3
229.05020	0.7
233.06601	0.9
243.02946	9.7
244.03328	0.9
245.04451	1.0
254.02194	2.4
255.02951	25.9
256.03256	1.8
257.04657	0.4
271.02463	55.6
272.02951	5.6
273.03979	0.9
276.37085	0.4
281.04541	1.2
283.02505	1.0
289.07309	0.5
299.01962	1.2
300.02728	100.0
301.03415	37.0
302.03830	2.4
325.03140	0.6
343.04379	0.6
343.15515	3.3
344.16248	0.3
373.22305	3.6
433.07834	1.2
445.07108	0.9
463.08810	5.9
505.09851	62.1
505.26276	11.9
506.10153	9.1
506.27246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93079	1.0
59.50996	0.9
61.98702	100.0
62.90464	0.9
98.19801	3.0
100.56911	1.1
108.01273	0.9
212.13641	1.1
278.22101	1.8
503.33527	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	505.0988
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
55.01737	0.4
55.52719	0.4
57.03326	2.6
58.00465	0.5
59.00951	0.8
59.01246	11.1
63.17896	0.3
67.01764	0.4
68.99673	0.9
71.01253	14.6
71.06367	0.9
72.99173	1.8
73.02810	1.9
75.00733	3.7
75.07635	0.4
80.14079	0.4
83.01250	0.9
84.02026	0.8
85.02820	17.3
86.69045	0.4
87.00753	2.3
89.02308	3.2
93.03344	0.4
95.01256	4.4
97.02792	0.5
97.86367	0.4
97.91277	0.4
99.00758	6.2
101.02318	1.8
103.00275	3.6
108.02018	0.8
109.02876	0.4
109.99994	1.1
111.00752	0.4
113.02329	26.5
114.02652	1.1
115.00258	1.3
117.01830	1.9
123.04375	0.8
125.02320	0.7
128.18718	0.4
129.01814	1.9
133.02809	0.6
133.99980	0.8
135.04404	0.8
136.06339	0.4
139.00237	0.6
145.02887	0.5
159.04424	5.0
161.02359	0.5
161.04478	0.9
161.05963	1.0
165.09137	1.6
167.03395	2.2
173.04462	0.6
174.03177	0.8
175.02379	5.6
175.03925	6.7
177.05515	0.8
183.13753	0.6
189.13016	0.4
191.03355	0.4
191.05573	0.7
198.03035	0.5
199.03900	1.8
215.03471	1.1
227.03418	2.3
242.02141	1.5
243.02951	12.0
244.03398	0.9
255.02916	1.0
257.04523	3.7
258.05188	1.0
268.03809	2.7
269.00800	1.5
269.04443	1.2
270.01709	2.4
271.02469	29.6
272.02762	2.0
283.06097	3.2
285.04001	6.3
286.04715	3.5
293.08896	0.6
298.04816	0.4
299.01959	34.9
300.02322	3.0
301.07230	0.5
313.03622	0.6
314.04303	39.6
315.04584	3.7
329.06653	100.0
330.07007	10.9
339.10782	2.4
343.04749	1.0
369.10385	0.5
373.26102	0.8
447.09213	0.4
471.18295	0.4
505.10025	2.1
505.20126	1.9
505.31976	0.5
506.10770	0.7
507.40079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94433	2.5
59.01260	19.4
61.98691	9.1
63.08529	2.7
69.03316	3.4
71.01257	12.6
71.51311	4.3
78.17068	2.6
85.02837	6.9
87.00750	3.2
89.02320	8.3
93.03355	5.6
93.05491	2.8
95.01264	3.1
99.00756	3.0
99.39715	2.8
100.35896	2.7
101.02329	5.7
105.67345	3.0
108.02052	8.3
109.02813	6.6
109.25996	3.4
111.00732	7.0
113.02338	6.3
117.03326	3.1
121.02825	4.7
123.04404	4.9
125.02317	8.2
128.72075	3.1
133.02853	3.4
135.04434	5.6
145.02837	10.3
152.01114	5.9
152.15909	3.1
153.01913	3.6
161.02325	8.1
161.04437	3.4
163.03943	5.2
169.01379	4.8
173.02365	3.4
173.22086	2.8
175.02455	5.6
175.03938	3.5
177.01816	5.6
182.02168	8.8
197.04536	8.3
229.01303	4.6
229.24792	2.8
241.01329	3.4
243.03004	3.5
244.00119	11.2
245.00870	4.3
255.03015	3.3
257.00861	6.1
259.02487	4.7
267.01593	5.1
269.98108	4.7
270.98819	16.5
271.02420	10.4
271.99573	11.6
273.00302	5.2
274.01022	3.8
283.99594	7.2
284.02289	5.5
285.00125	6.9
286.01001	6.6
287.01971	10.1
288.02527	4.6
292.99884	2.8
294.00607	3.3
295.01245	11.6
297.03122	4.6
297.97614	6.7
298.98422	22.2
299.01559	4.0
299.99091	54.7
300.02740	21.5
300.99850	27.9
301.03436	8.1
307.08258	7.3
310.03629	12.7
312.01624	5.9
312.99823	20.2
314.00613	15.2
315.01462	32.6
315.98633	3.7
316.01895	4.4
316.99268	3.0
323.00613	9.0
324.18356	2.9
327.01263	8.0
328.04788	7.0
336.01437	3.7
338.03134	5.0
340.00952	5.1
354.02542	10.5
372.03598	11.8
420.06952	9.6
431.82315	3.3
432.03384	14.3
433.04092	15.9
440.88492	3.0
446.05014	7.3
447.05664	35.6
449.03781	4.8
460.09036	18.4
461.08804	4.0
464.05927	5.3
472.04965	4.1
486.06546	5.9
504.07877	100.0
504.15399	10.7
505.08643	20.0
514.54535	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	504.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	15.8
61.98695	13.6
64.33991	1.3
71.01253	10.5
71.51037	2.5
72.99169	2.3
73.02821	2.4
83.01225	1.8
85.02796	3.5
87.00721	2.2
89.02279	4.9
93.03300	5.7
95.04877	2.3
96.95874	3.3
97.02797	1.6
101.02294	6.2
107.01212	1.6
109.02810	3.7
111.00682	1.9
113.02312	2.6
119.03360	2.6
119.04918	2.5
121.02818	2.6
123.00733	2.0
123.04406	3.2
124.76377	1.6
125.02269	5.3
133.02792	5.3
135.04390	19.8
136.04723	3.5
137.02283	2.8
145.02802	2.5
147.00742	1.7
148.54709	1.4
149.02390	3.0
151.00182	6.4
155.04785	1.5
160.01558	1.8
161.01137	1.4
161.02354	22.6
161.04382	2.9
162.02676	2.8
163.00198	2.4
169.01285	2.7
172.05249	1.4
173.04388	3.2
175.03856	5.2
177.01778	3.0
178.99783	2.6
179.02090	1.5
179.03403	16.6
179.04839	2.3
180.03651	4.6
187.03923	2.0
189.01781	3.1
190.02391	2.6
191.03477	1.4
191.05533	2.4
192.00432	1.5
200.01062	1.6
203.03438	1.7
207.06418	1.5
211.04057	1.8
213.01811	1.8
222.02975	3.0
226.02786	1.5
229.01189	2.0
239.02087	4.4
240.03752	2.0
242.99196	1.7
243.02950	3.6
243.99989	6.6
245.00780	3.3
250.02457	1.5
252.03909	1.6
255.02774	4.9
261.00262	1.6
264.03952	1.5
267.01688	4.2
268.02759	1.6
270.04788	1.7
270.99039	10.8
271.02341	13.4
271.99603	10.4
272.02158	2.4
273.00229	3.6
278.02142	3.1
279.02679	4.4
280.03210	4.5
283.99438	5.6
284.02194	2.6
285.00333	8.6
285.03195	1.6
286.00943	2.0
287.01968	16.3
288.02533	5.5
295.01096	12.5
296.02328	5.4
297.03555	6.4
298.04135	3.8
298.98318	30.0
299.01550	1.9
299.98901	41.5
300.02536	18.9
300.99619	13.7
301.03360	24.9
301.99835	1.9
307.02307	2.6
308.02780	1.9
310.03381	4.5
312.01260	5.4
312.99802	9.6
314.00555	9.8
315.01422	46.2
316.01611	3.8
321.99805	3.6
323.01160	7.6
324.02600	31.3
324.07916	2.7
325.03207	9.5
326.03537	4.4
327.00967	2.8
327.04233	2.5
328.04391	4.2
331.00815	3.3
336.01566	1.9
338.02823	3.1
338.99872	1.7
340.00848	2.1
342.02811	2.3
343.15244	2.4
354.02335	4.8
372.03561	8.6
384.04111	4.3
420.06744	5.1
428.06165	2.7
432.03522	11.1
433.03674	5.8
440.10468	1.6
444.06519	26.8
445.05609	2.8
446.04599	5.9
447.05609	42.8
448.05679	3.5
449.03448	4.9
460.08447	6.3
464.05533	4.1
472.05139	9.1
504.07761	100.0
504.27841	3.3
505.08582	15.3
505.16553	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	503.3376
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.68657	0.3
57.03328	0.3
59.01261	2.1
60.99173	0.7
61.98727	0.3
69.83448	0.3
71.01273	0.4
71.04885	0.5
78.95771	1.5
91.49708	0.3
98.19786	0.8
128.02191	0.3
131.82552	0.3
137.09584	0.6
137.72746	0.4
139.03886	0.5
139.11171	0.7
169.08578	0.4
192.85995	0.3
201.34435	0.3
229.16161	0.5
242.07948	0.7
245.19157	0.5
269.04333	0.3
279.23276	24.2
318.70319	0.3
375.26694	0.3
377.28592	0.5
383.33145	0.7
393.31537	1.6
397.34692	0.5
411.32489	0.6
413.34290	1.0
415.31973	0.4
423.32767	1.5
441.33728	5.7
442.34027	0.8
443.31631	2.4
457.33246	0.6
467.31223	0.4
485.32730	1.3
503.33762	100.0
504.34265	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	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97661	0.2
56.07086	0.2
59.01241	0.5
69.58604	0.2
70.99036	0.6
79.28469	0.2
88.40111	0.2
94.33634	0.2
95.45450	0.2
104.94218	0.2
126.40700	0.2
142.54985	0.2
155.01810	0.2
389.28638	0.3
437.30542	3.3
438.30902	0.3
441.30026	5.6
442.30209	0.7
455.31607	0.9
478.07758	0.2
485.32645	0.8
490.89789	0.2
503.33765	100.0
504.34122	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.9
59.01400	1.1
61.98574	1.2
61.98848	1.1
97.06300	1.3
97.06831	0.9
98.20637	1.7
126.43822	0.6
167.30191	0.6
229.44810	0.8
331.46484	0.7
348.03061	0.7
387.30374	2.8
389.28418	3.1
406.28403	3.7
407.29370	2.1
421.30991	1.9
423.27615	1.1
423.32727	10.2
424.33069	1.4
425.30463	0.8
432.60016	0.7
438.54794	0.8
439.32547	1.0
441.33774	1.5
455.31482	1.0
457.33221	2.6
458.33804	1.0
459.34909	2.3
467.31509	1.9
469.33212	100.0
470.33597	20.5
485.32758	1.6
503.33829	43.3
504.34283	7.4
519.60382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85334	0.3
52.45905	0.3
53.35602	0.3
58.00466	1.9
59.01234	0.9
60.99184	0.4
73.02831	0.5
77.77004	0.3
97.06464	1.6
118.47597	0.3
134.73399	0.2
137.09639	0.3
174.74599	0.3
188.86714	0.3
217.15936	0.3
237.14977	0.4
372.24289	0.4
374.26050	0.6
381.28339	0.4
387.30521	1.1
389.28522	3.0
390.28900	0.4
405.31888	0.6
406.28714	6.5
407.29327	2.1
421.31195	3.1
422.31320	0.4
423.32706	8.0
424.32971	1.3
425.30051	0.7
439.28406	1.1
441.33316	1.2
455.31790	0.5
457.33310	0.5
467.31372	0.9
469.33191	100.0
470.33517	17.2
470.40326	0.5
483.30591	0.4
485.32611	1.0
503.33615	13.9
504.34180	2.0
513.31818	0.7
527.73322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
58.00470	0.2
59.01239	0.8
60.99165	0.2
61.01764	0.1
69.21281	1.3
71.01251	0.4
71.04868	0.1
72.99185	0.7
73.02822	0.2
81.62281	0.1
83.01240	0.1
83.20821	0.1
85.02869	0.2
93.36903	0.1
101.02349	0.2
119.87260	0.1
162.33620	0.1
191.29460	0.1
253.39824	0.1
305.66513	0.1
307.24374	0.3
335.05435	0.2
337.06332	0.3
341.27335	0.2
364.29062	0.1
403.28311	0.4
405.27811	0.3
407.29434	0.5
421.31262	0.5
425.30551	0.3
429.33936	0.2
439.32349	0.3
441.34119	0.8
443.31830	0.5
455.31848	0.3
457.33301	0.3
457.96796	0.1
459.31290	0.5
466.64508	0.2
485.07007	0.2
485.33386	1.1
503.33795	100.0
504.34152	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85590	0.3
54.11615	0.3
59.01248	1.1
63.75566	0.3
69.03301	0.3
69.41763	2.8
71.04890	26.9
72.05238	0.6
83.04861	0.4
84.39772	0.3
150.98558	0.4
163.98862	0.3
172.89305	0.3
341.28461	0.7
387.29395	0.4
395.33267	0.7
397.31119	0.9
399.32648	2.0
415.35800	6.8
415.41425	0.4
416.35986	1.0
441.33737	7.2
442.33978	1.3
459.34775	31.6
460.35101	5.4
485.32770	1.0
503.33768	100.0
504.34109	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	503.3381
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
50.48915	0.4
57.03321	3.7
58.23454	0.4
59.00962	0.5
59.01250	8.2
61.98689	1.8
71.01249	4.3
71.04881	2.4
73.02816	12.2
78.95774	0.4
83.01228	0.6
83.04882	0.7
85.02806	1.5
86.05870	0.5
87.00753	0.6
87.04897	0.5
88.16144	0.5
89.02311	1.1
95.01241	0.4
95.04898	0.5
99.00764	0.9
99.04372	0.4
101.02304	1.7
109.06431	0.8
111.04382	0.6
111.71732	0.4
113.02301	1.5
114.41816	0.5
119.03362	1.0
125.02288	0.6
131.04889	0.7
133.02818	0.9
135.04422	0.5
153.09108	0.6
156.25586	0.5
161.02319	0.7
161.04411	0.8
173.02324	0.6
173.04480	1.0
174.03156	3.6
175.03920	26.9
176.04224	1.5
179.10712	1.2
183.10042	0.6
187.03859	0.7
189.12730	0.8
191.05286	0.6
209.11726	0.9
209.15251	0.7
211.13304	0.6
217.05199	0.7
225.11153	0.6
238.06230	0.8
243.14500	0.5
299.01938	0.9
307.24139	0.8
309.33255	0.5
355.25571	0.7
359.27734	1.0
376.27258	0.6
377.28333	1.0
387.28760	0.7
389.28638	2.5
391.30145	0.5
392.26871	2.7
407.29541	13.3
408.29868	1.8
409.31049	1.9
410.31577	0.6
419.29388	1.0
439.32175	3.0
440.32520	0.7
441.33768	1.8
453.30096	1.7
455.27872	0.8
459.31268	1.1
485.32709	71.9
486.33035	10.6
492.43558	0.5
492.68579	0.5
503.33963	100.0
504.34302	16.7
505.50992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74834	0.6
58.70891	0.6
59.01253	0.9
61.16962	0.6
65.00203	0.9
78.93983	0.6
95.01258	2.0
97.28447	0.7
108.02048	1.6
109.02815	1.9
110.76179	0.6
123.04382	0.9
124.01540	1.3
137.02336	2.6
138.03128	15.3
139.03857	2.1
151.03928	1.4
153.05475	13.7
165.01848	10.8
166.02594	6.6
167.03474	1.0
175.14919	0.7
179.03416	2.1
231.17365	0.8
237.05598	1.0
240.07884	1.2
251.07048	1.2
253.05045	6.7
255.10323	2.1
267.06723	1.0
269.08237	1.2
283.09723	9.8
379.19263	1.1
387.54260	0.7
397.19577	0.7
413.17654	1.1
456.22983	0.9
471.25238	4.2
472.25363	1.1
486.39334	0.8
503.28052	100.0
504.28421	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	503.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84473	0.4
57.03314	1.3
59.01251	6.4
60.99143	0.5
61.98689	0.4
71.01258	3.8
71.04878	0.8
71.51286	0.6
72.99166	0.6
73.02814	1.0
75.00747	0.5
81.03345	0.5
83.01244	0.6
83.04924	0.5
85.02834	1.7
87.00744	1.8
87.04404	0.6
88.98676	1.4
89.02312	2.4
92.77607	0.4
97.06447	1.0
99.00752	1.7
101.02314	1.7
109.02836	0.6
109.06457	1.0
111.00734	2.4
113.02317	1.4
119.03390	0.5
125.02339	0.6
131.04951	1.0
133.02864	0.5
135.04396	0.4
139.11191	3.0
147.02893	1.7
154.48529	0.4
155.14258	0.4
161.02364	0.6
161.04469	0.5
163.11165	0.4
173.02295	0.5
173.04408	0.7
174.03117	4.4
175.03914	21.5
176.04253	0.9
187.03777	0.4
191.05513	0.7
199.13235	0.4
207.10153	0.5
209.11725	1.0
220.58170	0.4
225.14915	0.9
241.62408	0.4
253.18053	1.7
265.18002	1.3
295.19855	0.4
295.22620	2.1
307.22629	1.0
319.22726	0.9
325.23828	18.6
326.24097	1.9
337.23813	2.5
341.13959	1.3
341.27032	0.5
355.24875	100.0
356.25241	10.3
359.27975	1.0
430.55817	0.5
460.08228	0.4
485.32709	0.5
503.08078	0.5
503.28262	14.4
503.33929	2.9
504.28055	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.6
57.03327	5.4
58.00463	3.4
59.01249	100.0
61.98685	3.3
69.03330	1.6
69.25016	3.2
69.25439	6.8
71.01253	68.5
72.01595	1.3
72.99186	5.6
73.02818	12.8
75.00745	3.2
83.01247	6.9
83.04869	1.0
85.02821	21.4
87.00761	6.4
89.02315	53.9
93.03337	2.3
95.01257	4.0
97.02848	1.6
99.00751	8.6
101.02318	46.1
102.98474	2.2
107.04889	1.2
109.02833	2.3
111.00755	3.4
111.04370	1.1
113.02332	25.3
119.03384	19.3
119.04864	7.5
120.05279	2.6
120.99540	1.5
121.02853	2.8
122.03639	1.5
123.00767	1.3
123.04386	1.7
124.01550	3.1
125.02341	5.9
129.01848	2.2
131.03398	36.6
132.02058	1.4
133.01323	1.6
134.03604	2.3
135.04416	14.8
135.11681	1.2
136.01556	1.0
137.02350	3.3
139.00249	1.4
139.03903	8.3
141.01886	1.3
143.03384	7.1
145.02852	3.2
147.04398	3.4
149.02371	1.6
149.04456	12.1
149.06007	1.3
151.00224	1.4
151.03885	1.6
152.00932	1.0
159.02895	3.4
159.04298	1.2
160.01537	4.0
161.02293	4.4
161.04472	13.7
161.09659	2.0
162.03027	1.1
163.03882	5.4
163.05106	1.0
164.04301	3.0
165.01805	2.2
165.05522	2.3
167.03418	1.3
169.01350	1.4
173.04453	1.9
174.03149	12.1
175.00380	1.1
175.02502	0.8
175.03897	18.7
177.01816	1.2
179.03337	1.6
179.05547	17.4
179.10696	5.2
183.10097	1.7
187.03854	1.5
187.11195	1.3
190.02594	4.2
191.03831	1.5
191.05510	7.8
193.04988	2.0
198.03119	2.3
202.85889	1.0
205.04984	4.0
211.03833	1.2
223.06030	1.7
225.11217	1.4
227.03322	1.1
229.05116	1.1
241.05019	1.5
251.07814	1.3
255.02788	1.2
266.02139	2.0
268.03760	1.2
269.04474	1.6
279.02823	2.0
294.01526	1.3
295.02386	2.7
296.03098	1.6
297.04013	1.7
297.11966	6.2
311.01962	1.5
311.15085	19.4
312.02780	1.7
312.15280	1.1
322.01114	2.3
323.01801	3.6
323.12979	1.3
324.02615	1.8
327.28879	0.9
335.06235	1.3
337.08926	2.2
340.02277	3.1
341.02936	4.4
341.13889	41.1
342.14240	4.0
343.15488	3.9
367.10294	3.9
373.96890	1.1
443.19046	12.4
444.19702	1.4
459.17752	1.7
485.07367	2.3
503.08325	16.7
503.19913	18.3
503.32108	2.0
504.08405	2.5
504.20929	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65777	0.1
55.01714	0.1
57.03299	0.4
58.00461	0.2
59.01006	0.1
59.01249	1.4
61.98694	0.3
69.03307	0.2
71.01252	1.0
71.04882	0.2
71.38438	0.2
73.02798	0.3
75.00745	0.2
81.03353	0.1
81.04095	0.1
81.06979	0.1
83.01262	0.1
83.04841	0.1
85.02800	0.4
87.00740	0.6
88.98675	0.1
89.02321	0.5
91.41270	0.1
93.06978	0.2
93.28262	0.1
98.02419	0.1
99.08002	0.1
101.02301	0.7
105.01823	0.2
109.06466	0.4
111.08032	0.2
113.02335	0.3
115.05399	0.1
117.03372	0.1
119.04888	0.3
121.51074	0.1
123.08031	0.3
125.02326	0.3
125.05965	0.2
127.07542	1.1
129.03371	0.1
130.04112	0.5
131.04915	4.1
132.05302	0.2
133.02809	0.2
137.02327	0.2
137.05960	0.7
139.11200	0.5
143.03323	0.2
145.02872	0.3
147.04402	1.2
149.05930	0.1
151.11116	0.1
155.07013	0.6
157.02844	0.4
158.03589	0.4
159.04407	0.3
163.03868	0.1
165.09132	0.2
167.03384	0.1
173.02361	1.0
174.01556	0.2
174.03142	14.5
175.03914	100.0
176.04253	5.0
183.10178	2.0
187.03937	0.5
191.05571	0.2
197.11761	1.9
198.12001	0.1
199.03873	0.2
200.04706	0.4
201.05402	0.2
211.03978	0.2
217.05009	0.8
225.11278	2.1
226.11584	0.2
229.05038	0.6
253.18102	0.1
255.12433	0.3
280.92673	0.1
285.13681	0.2
302.89822	0.1
308.03159	0.1
341.13965	0.2
355.24686	0.2
377.10361	0.2
453.61963	0.1
460.08258	0.2
485.32678	0.1
503.13483	0.2
503.25189	0.6
503.33804	5.7
504.34216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.2
59.01244	2.0
59.84787	0.1
61.98689	0.3
65.03822	0.2
69.18590	0.3
69.18989	1.0
71.01247	1.0
71.04914	0.1
72.99148	0.2
73.02822	0.2
78.86522	0.1
78.88864	0.1
81.03324	0.1
83.01237	0.3
85.02822	0.6
85.06461	0.5
87.00742	0.7
87.04409	0.2
89.02325	0.6
93.03326	0.2
96.10712	0.1
97.02808	0.4
98.19761	0.3
99.04395	0.2
101.02309	0.8
109.02841	0.7
109.06487	0.2
110.06279	0.1
111.00761	0.5
113.02352	0.5
118.90393	0.1
119.03376	0.3
119.04878	0.1
121.02861	0.2
125.02303	0.2
127.03912	0.2
129.03334	0.1
130.04077	0.6
131.04918	4.5
132.05301	0.1
133.02843	0.2
145.02846	0.2
147.04411	1.2
151.11130	0.2
152.11681	0.1
153.58600	0.1
157.02843	0.4
158.03604	0.4
159.04367	0.6
160.01566	0.1
161.02196	0.1
161.04463	0.2
163.07532	0.6
165.09142	0.6
173.02318	1.0
174.01543	0.3
174.03137	14.3
175.03911	100.0
176.04243	5.7
179.10687	1.0
183.10184	2.3
184.10532	0.1
187.03885	0.5
191.05560	0.2
197.11783	0.6
199.03903	0.3
200.04657	0.4
201.05457	0.2
207.10196	0.9
213.05418	0.2
217.04948	1.2
225.11252	2.5
226.11603	0.1
228.04327	0.6
229.04985	0.6
245.08255	0.1
255.12387	0.4
285.13049	0.2
291.19437	0.2
341.13849	1.1
341.26874	0.1
342.14618	0.1
355.24988	0.2
459.31323	0.2
489.11087	0.1
503.32864	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	503.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91317	0.3
57.03360	0.5
59.01252	3.1
59.09200	0.3
69.03360	0.4
71.01244	2.9
71.04884	0.4
73.02856	1.2
74.28023	0.3
83.01321	0.4
83.04942	1.4
85.02866	1.0
87.00783	0.3
89.02318	0.6
91.57028	0.3
93.03330	1.6
97.02859	0.5
98.20656	0.6
99.00799	0.3
101.02307	1.7
107.04954	0.4
108.02061	0.4
109.02837	3.1
113.02373	0.9
117.03372	0.8
119.03402	0.3
119.04923	2.0
121.02838	10.1
122.03674	1.0
123.04418	1.8
124.01580	0.7
125.02344	0.8
133.02834	0.4
133.06459	0.3
134.03615	0.5
135.04407	6.1
135.08084	0.4
136.04808	0.3
137.02344	7.8
137.03304	0.6
137.06100	0.4
138.03149	2.6
145.02898	1.4
147.04422	2.4
149.02412	1.0
149.06070	0.8
150.03094	0.4
151.03941	3.7
158.62723	0.3
159.04483	1.1
161.02356	0.4
161.04584	0.7
161.06041	1.8
163.03909	2.2
163.07570	0.8
164.04729	0.7
165.05542	0.5
174.03217	0.3
175.03978	1.0
175.07507	0.4
177.05487	6.5
177.06906	0.5
177.09114	0.6
177.62689	0.3
178.06110	0.6
179.07103	1.3
189.05655	0.3
189.09116	0.4
203.07095	1.6
204.07864	3.1
205.08568	2.5
206.09024	0.4
209.06021	0.8
209.11882	0.4
219.06616	3.9
220.07303	0.8
221.08209	1.4
223.09705	0.9
243.06589	0.3
253.34048	0.3
255.06670	0.7
257.08054	1.4
269.08173	2.7
270.08807	0.5
295.02371	0.5
297.11353	0.4
309.11331	1.0
320.89261	0.3
325.10873	1.4
326.11578	20.3
327.12210	8.0
328.12650	0.7
339.12128	0.4
341.13907	100.0
342.14236	10.4
358.10330	0.6
359.27951	0.3
371.20612	1.1
460.07599	0.6
488.10480	0.5
488.16827	4.2
489.17435	0.5
503.19000	9.9
503.25241	2.2
503.33765	2.6
504.19540	1.5
504.34506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.1
57.03318	0.5
58.00460	0.3
58.57471	0.1
59.01247	2.1
63.23000	0.1
69.27205	0.8
71.01254	1.7
72.99157	0.2
73.02832	0.4
75.00737	0.1
83.01260	0.2
85.02827	0.6
87.00748	0.7
89.02316	1.0
95.01251	0.1
99.00751	0.3
101.02318	1.1
105.01854	0.1
113.02322	0.8
115.05373	0.1
117.03291	0.2
119.03400	0.3
122.58868	0.1
123.08057	0.1
125.02361	0.2
125.06001	0.3
129.03322	0.1
130.04138	0.4
131.03435	0.2
131.04922	4.2
132.05247	0.1
133.02881	0.1
137.05939	0.1
139.07556	2.0
143.03432	0.1
145.02847	0.4
147.04402	1.0
157.02884	0.6
158.03653	0.5
159.04440	0.6
161.02351	0.1
161.04477	0.4
167.07068	1.1
173.02332	0.9
174.01566	0.2
174.03145	15.1
175.03914	100.0
176.04254	5.1
183.10181	3.3
184.10544	0.2
187.03917	0.5
197.11777	1.6
198.12103	0.1
199.04137	0.1
200.04704	0.4
201.05466	0.3
209.06039	0.3
211.03954	0.1
217.05011	1.1
218.05504	0.1
225.11269	2.1
226.11513	0.2
229.05017	0.8
237.28108	0.1
255.12294	0.7
269.28510	0.1
276.66525	0.1
279.12238	0.1
279.64319	0.1
285.13470	0.3
371.20618	0.5
459.31000	0.3
503.18948	0.2
503.25040	2.2
503.33701	0.5
504.25354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48083	1.1
57.03314	1.6
59.01247	10.3
63.05788	1.2
69.63171	8.2
71.01257	10.2
73.02827	2.6
85.02820	4.0
85.03347	1.4
87.00755	1.8
89.02311	5.6
95.01280	1.6
96.02956	1.1
96.95888	4.9
99.00720	1.3
101.02290	4.1
107.01212	1.4
109.02899	1.4
113.02345	2.9
113.99487	2.5
115.00294	1.3
119.01235	2.9
121.02814	1.9
125.60909	1.1
130.02173	1.1
135.06540	4.8
139.00244	2.1
147.00778	2.9
147.04413	1.5
149.02354	12.4
164.04695	17.5
165.01866	2.1
174.01628	2.5
175.00272	20.8
176.00774	1.8
179.07042	3.1
186.85941	1.2
189.01778	1.6
190.02641	61.5
191.02991	4.0
205.05002	75.8
206.05287	6.5
207.02774	1.7
208.03786	1.4
209.04576	1.6
221.08089	1.7
223.06068	30.8
224.06187	2.2
232.02461	1.5
265.07126	5.8
382.19189	1.3
503.17703	100.0
504.18127	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.8
58.10017	0.8
59.01252	14.3
61.98697	0.9
62.79484	0.8
69.26583	2.4
69.27008	5.7
71.01250	11.2
72.99184	1.7
73.02804	2.5
74.02341	1.1
79.95634	2.0
83.01257	1.2
85.02821	3.2
87.00757	2.4
89.02313	7.4
91.01748	1.5
93.03327	3.9
96.95879	10.0
98.02333	0.9
99.00766	2.3
101.02325	6.1
111.00746	1.2
113.02345	4.1
115.03820	1.0
116.03455	2.4
118.76006	0.8
119.01260	4.6
119.03385	1.8
121.02815	3.4
125.02312	2.2
134.03590	2.1
135.04428	2.0
135.06523	3.7
137.02319	1.6
147.00763	3.5
147.04359	1.5
149.02347	21.5
151.03917	1.1
152.01033	1.4
154.71111	0.9
161.02347	1.7
163.03893	2.9
164.04691	20.0
165.01776	1.3
165.05223	1.3
166.02533	1.0
169.01320	1.9
175.00272	29.9
175.03851	2.3
176.00816	2.2
177.01849	1.6
179.03349	0.9
179.07077	2.7
189.01863	1.3
190.02637	86.7
191.03073	6.9
191.05402	0.9
193.01268	0.9
203.03690	0.9
205.04997	100.0
206.05417	7.8
207.06607	0.9
208.03720	1.3
209.04408	2.0
221.08160	2.6
223.06059	44.4
224.06439	2.9
227.55928	0.8
237.07587	2.6
265.07172	14.5
295.08133	1.9
300.99890	2.4
325.09213	3.2
349.19141	1.0
367.10352	2.2
368.10318	0.9
472.97232	0.8
488.15271	1.1
503.17688	98.9
504.18109	12.8
512.99756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75512	0.7
57.04012	0.8
59.01247	12.4
61.66513	0.6
62.22464	0.7
65.59524	0.8
69.31667	4.3
69.32082	1.7
71.01256	10.4
72.99199	1.4
73.01001	0.8
73.02811	2.3
75.39127	0.7
75.84712	0.7
83.01264	1.4
85.02821	4.2
87.00704	1.2
89.02317	5.8
91.01759	1.2
93.03339	1.3
95.01269	0.9
99.00704	1.0
101.02318	5.9
113.02331	3.3
119.01259	5.4
119.03364	2.4
121.02080	0.8
121.02821	4.2
132.02045	0.8
134.03635	1.4
135.04404	2.2
135.06503	4.1
147.00778	4.2
147.04425	1.7
149.02338	23.5
150.02814	2.0
152.01022	0.8
161.02379	0.7
163.03886	3.1
164.04691	23.3
165.01793	2.4
165.05008	0.9
169.04903	1.2
172.97295	0.7
175.00275	42.2
176.00693	1.6
177.01830	1.1
179.07040	3.8
190.02632	100.0
191.03145	6.7
193.01187	0.8
202.00230	0.8
205.04988	93.4
206.05443	5.8
206.57201	0.8
208.03745	2.2
209.04376	1.6
221.08073	2.5
223.06049	45.2
224.06401	2.6
250.04802	0.9
265.07169	10.2
266.07495	0.8
295.08429	1.0
325.09341	1.4
341.06580	1.5
503.17679	91.6
504.18039	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1557
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
52.11300	0.3
52.66352	0.3
55.01757	1.0
57.03330	1.4
59.01248	13.9
64.79321	0.3
69.03321	0.6
69.24288	1.8
69.24713	1.1
71.01250	18.3
72.99176	0.6
73.02817	4.9
73.14974	0.3
75.00727	0.6
78.21171	0.3
80.34484	0.3
81.03352	0.4
82.31773	0.3
83.01254	1.6
85.02818	5.4
87.00732	0.8
89.02310	9.1
89.02844	0.6
93.03305	0.7
95.01250	1.3
97.02834	0.6
99.00742	3.4
101.02321	9.5
105.03327	0.7
109.02800	0.5
113.02321	6.1
113.96505	0.3
115.03864	0.5
117.03368	1.3
119.03362	1.7
119.94480	0.3
121.02839	0.3
123.04414	0.6
125.02338	1.4
131.03416	1.3
132.02049	1.3
133.02844	33.8
134.03505	1.1
135.04410	11.2
136.04749	0.4
137.02354	0.7
143.03407	0.8
143.04961	0.4
145.02863	0.8
149.04431	2.0
149.05954	0.5
150.03139	0.3
155.03467	0.3
159.02893	0.9
161.02345	100.0
161.04494	4.3
162.02693	4.7
163.03938	0.8
166.00636	0.3
173.04440	1.0
177.05493	1.2
179.03419	7.8
179.05240	0.5
179.05577	0.5
179.06996	0.4
187.03949	0.3
191.05508	0.8
208.47430	0.3
209.15453	1.5
221.04504	1.3
233.06659	1.2
251.05540	0.7
251.07826	0.3
251.46298	0.3
281.06693	1.2
286.81604	0.3
293.08759	1.1
338.86908	0.3
371.20667	4.3
403.88541	0.4
463.08939	0.5
503.15622	55.8
503.24887	13.3
504.15900	7.8
504.25101	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	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15414	1.2
58.00462	1.5
59.00963	2.0
59.01249	29.2
61.98700	1.9
63.22082	1.0
69.25224	9.8
69.25630	2.7
71.01249	24.9
72.99160	4.7
73.02818	2.1
74.01878	1.3
74.02312	1.8
75.00743	35.3
75.49501	1.0
85.02809	6.8
87.00719	3.5
89.02315	20.1
93.03308	2.3
95.01244	2.6
96.73104	1.3
96.95867	3.4
98.20528	1.8
99.00745	3.4
101.02316	16.5
107.69684	1.1
111.00727	1.3
113.02324	7.9
116.92671	1.2
117.01821	4.2
117.66176	1.1
118.50419	1.1
119.03410	8.5
121.02824	3.1
125.02322	3.5
134.03607	4.7
135.02849	4.0
135.04424	6.9
137.02321	2.1
145.06647	1.2
147.04413	3.3
149.02341	29.6
149.05980	3.4
150.02901	1.7
160.01553	2.5
161.02316	2.1
161.04433	1.3
163.03920	6.9
164.04691	27.9
165.05476	2.9
173.02322	1.6
175.00229	4.4
175.03888	4.9
176.01102	7.5
177.01831	2.8
177.05449	3.2
178.06203	1.7
179.03458	2.2
179.06990	3.6
181.05035	1.7
183.06596	1.2
188.04684	2.6
190.02609	19.9
191.03400	19.9
192.03984	2.6
193.04953	4.1
205.05009	21.5
206.05756	19.6
207.02927	7.6
207.06517	1.3
208.03706	5.5
209.04416	3.6
219.06483	3.5
221.08130	19.7
222.05170	2.1
223.06062	37.5
224.06300	2.7
237.07639	5.6
250.04683	6.7
265.07144	53.2
266.07352	3.5
283.10342	3.0
287.01862	1.2
295.08182	7.1
296.03052	1.8
297.08237	86.7
298.08536	4.3
300.99786	2.4
312.02637	1.2
325.09335	10.3
329.02997	4.6
337.97745	1.2
341.06332	1.8
385.11292	1.6
413.10764	4.7
427.12299	4.5
503.13971	100.0
504.14392	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	503.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84661	0.7
55.01741	0.8
57.03313	2.7
59.00967	1.6
59.01247	23.5
61.18144	0.8
61.98679	3.1
69.35145	3.7
69.35567	3.3
71.00907	1.0
71.01251	13.4
73.02793	3.5
75.00737	0.9
79.63555	0.9
83.01215	1.2
83.04865	0.9
83.55786	0.8
85.02821	5.5
87.00727	2.0
89.02312	6.5
93.03317	1.2
95.04923	1.0
95.13275	0.8
99.00748	2.1
101.02310	7.4
107.01263	5.9
109.02815	1.9
109.55782	0.8
111.00740	1.1
113.02324	4.3
117.03355	5.4
119.03393	1.2
119.04871	3.1
121.02831	2.1
123.00714	2.3
123.04375	2.8
124.01533	2.4
125.02314	2.1
127.07473	0.9
131.03415	1.7
131.04930	4.3
133.02838	5.0
134.03603	1.1
135.04411	12.1
137.02284	1.6
139.00244	2.1
139.03897	6.5
145.02855	27.3
146.03163	1.4
147.04384	3.2
148.68646	0.8
149.02278	0.9
149.04434	2.1
149.05940	2.0
151.03838	1.2
155.03308	1.0
158.03540	2.1
159.04402	1.5
161.01135	1.2
161.02364	17.8
161.04430	2.6
163.03902	3.9
164.04640	0.8
166.99683	1.5
168.00562	3.9
169.01308	1.4
173.02327	2.2
173.04492	1.6
174.03143	43.8
175.03920	100.0
176.04256	5.5
177.05539	1.8
179.03453	6.6
179.05634	1.0
179.07034	3.8
179.10629	2.5
182.02107	1.1
183.01367	1.4
183.02913	19.4
183.04501	1.5
183.10152	1.3
187.03946	2.6
190.02734	1.1
191.05458	0.9
193.04988	1.1
195.06601	7.2
198.01346	1.4
198.03146	20.0
199.03539	2.5
200.04646	2.0
201.05476	0.9
202.02563	2.2
210.01526	2.1
211.03801	1.6
212.04779	4.7
215.03238	0.9
217.04993	10.3
221.04437	2.3
221.94829	0.9
222.03070	2.7
223.05992	1.4
224.04663	1.8
225.03848	8.8
226.02499	1.6
227.03510	4.5
229.05005	6.4
235.03893	1.3
238.02638	1.7
239.03371	1.4
240.04276	4.3
251.03305	1.4
251.05487	1.2
254.02103	2.2
255.05034	1.1
266.02222	16.5
267.02747	2.3
268.03732	12.0
269.04431	2.0
279.02847	3.4
281.06534	3.5
285.06158	20.1
286.06500	2.1
294.01535	2.4
295.02640	4.6
296.03247	16.0
297.03854	6.6
297.07620	2.4
297.11765	2.0
307.08246	9.5
308.08572	1.0
311.15005	4.5
312.04782	1.3
319.14001	1.2
322.01184	26.7
323.01547	3.4
323.07510	4.1
327.07214	29.0
328.07541	2.1
340.02161	4.8
341.02740	2.1
341.09146	1.0
341.13654	1.4
345.08200	1.6
443.19034	2.3
459.09061	1.6
485.07263	13.4
486.07410	2.1
503.08173	69.6
503.15222	8.1
503.32764	3.8
504.08609	7.4
504.15512	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	503.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84661	0.7
55.01741	0.8
57.03313	2.7
59.00967	1.6
59.01247	23.5
61.18144	0.8
61.98679	3.1
69.35145	3.7
69.35567	3.3
71.00907	1.0
71.01251	13.4
73.02793	3.5
75.00737	0.9
79.63555	0.9
83.01215	1.2
83.04865	0.9
83.55786	0.8
85.02821	5.5
87.00727	2.0
89.02312	6.5
93.03317	1.2
95.04923	1.0
95.13275	0.8
99.00748	2.1
101.02310	7.4
107.01263	5.9
109.02815	1.9
109.55782	0.8
111.00740	1.1
113.02324	4.3
117.03355	5.4
119.03393	1.2
119.04871	3.1
121.02831	2.1
123.00714	2.3
123.04375	2.8
124.01533	2.4
125.02314	2.1
127.07473	0.9
131.03415	1.7
131.04930	4.3
133.02838	5.0
134.03603	1.1
135.04411	12.1
137.02284	1.6
139.00244	2.1
139.03897	6.5
145.02855	27.3
146.03163	1.4
147.04384	3.2
148.68646	0.8
149.02278	0.9
149.04434	2.1
149.05940	2.0
151.03838	1.2
155.03308	1.0
158.03540	2.1
159.04402	1.5
161.01135	1.2
161.02364	17.8
161.04430	2.6
163.03902	3.9
164.04640	0.8
166.99683	1.5
168.00562	3.9
169.01308	1.4
173.02327	2.2
173.04492	1.6
174.03143	43.8
175.03920	100.0
176.04256	5.5
177.05539	1.8
179.03453	6.6
179.05634	1.0
179.07034	3.8
179.10629	2.5
182.02107	1.1
183.01367	1.4
183.02913	19.4
183.04501	1.5
183.10152	1.3
187.03946	2.6
190.02734	1.1
191.05458	0.9
193.04988	1.1
195.06601	7.2
198.01346	1.4
198.03146	20.0
199.03539	2.5
200.04646	2.0
201.05476	0.9
202.02563	2.2
210.01526	2.1
211.03801	1.6
212.04779	4.7
215.03238	0.9
217.04993	10.3
221.04437	2.3
221.94829	0.9
222.03070	2.7
223.05992	1.4
224.04663	1.8
225.03848	8.8
226.02499	1.6
227.03510	4.5
229.05005	6.4
235.03893	1.3
238.02638	1.7
239.03371	1.4
240.04276	4.3
251.03305	1.4
251.05487	1.2
254.02103	2.2
255.05034	1.1
266.02222	16.5
267.02747	2.3
268.03732	12.0
269.04431	2.0
279.02847	3.4
281.06534	3.5
285.06158	20.1
286.06500	2.1
294.01535	2.4
295.02640	4.6
296.03247	16.0
297.03854	6.6
297.07620	2.4
297.11765	2.0
307.08246	9.5
308.08572	1.0
311.15005	4.5
312.04782	1.3
319.14001	1.2
322.01184	26.7
323.01547	3.4
323.07510	4.1
327.07214	29.0
328.07541	2.1
340.02161	4.8
341.02740	2.1
341.09146	1.0
341.13654	1.4
345.08200	1.6
443.19034	2.3
459.09061	1.6
485.07263	13.4
486.07410	2.1
503.08173	69.6
503.15222	8.1
503.32764	3.8
504.08609	7.4
504.15512	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	503.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47830	0.6
54.31646	0.6
57.03316	1.0
59.01249	15.4
63.23813	0.7
65.00173	0.6
69.64106	4.6
71.01253	9.2
72.99167	1.7
73.02808	2.6
76.92151	0.7
79.95612	1.8
83.01247	1.2
85.02845	3.4
87.00740	1.3
89.02312	7.2
93.03318	1.1
95.01284	1.1
96.95885	13.4
99.00744	2.3
101.02327	7.1
109.02856	0.9
113.02307	3.0
116.92735	0.8
119.03375	1.9
119.04948	0.8
125.02374	1.9
131.03407	2.2
133.02808	1.2
134.03677	0.8
135.04414	3.8
136.04733	1.2
137.02357	1.7
143.03339	0.8
145.02832	2.2
149.04453	2.7
157.80945	0.7
159.03046	0.8
161.02325	2.8
161.04420	2.0
161.05974	0.7
163.03970	1.0
174.03125	1.3
175.03931	1.2
177.01854	1.4
179.03372	1.5
179.10699	1.6
183.04439	1.4
183.10175	1.4
189.01772	1.7
195.04439	2.0
195.06479	0.8
196.05124	3.2
197.06026	2.0
199.03954	2.3
205.04865	0.9
207.04413	1.0
209.06012	1.1
210.03201	1.9
211.03937	3.1
212.04652	2.4
213.05446	2.1
214.02654	0.9
222.03185	1.5
223.04022	4.8
223.05814	0.9
224.04562	1.8
225.05479	2.1
227.03453	3.7
228.04054	1.4
238.02644	4.2
239.03453	4.5
240.04292	3.6
241.04866	3.2
250.02664	0.9
251.03543	4.4
252.04138	0.9
253.04982	1.5
255.02890	1.5
256.03726	2.5
266.02167	3.8
267.03003	5.2
268.03558	2.4
269.04620	4.8
278.02060	1.7
279.03021	8.5
280.03568	1.1
283.02509	2.4
283.05695	1.1
284.03290	4.2
294.01834	3.6
295.02405	13.0
296.03082	7.9
297.04007	14.7
298.04504	1.7
307.02399	2.6
308.03156	1.6
311.01959	9.7
311.14954	4.6
312.02728	5.5
313.03464	1.4
322.01160	5.3
323.01950	30.9
324.02588	11.4
325.03470	6.3
335.01904	1.8
337.03391	1.9
337.11371	1.6
339.01529	1.5
340.02182	38.0
341.02933	29.4
342.03381	2.1
371.20706	0.8
485.07159	6.6
486.07578	0.7
503.08282	100.0
503.24344	2.3
504.08640	12.0
504.25131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39102	1.5
59.01242	8.2
61.98702	7.4
65.00203	2.5
69.41506	1.4
71.01251	6.1
71.51083	1.9
75.44958	1.6
79.95625	3.1
83.01255	2.9
84.92889	1.3
85.02819	3.3
92.81354	1.3
93.03319	1.7
96.95897	10.0
101.02310	3.4
107.01263	4.7
108.02084	8.6
109.02895	8.6
110.03152	3.0
111.00753	1.9
113.02316	1.9
115.03881	1.5
118.34864	1.3
121.02839	1.4
123.00788	2.2
125.02306	3.6
133.02895	2.7
137.02377	1.7
139.00273	1.6
140.01035	2.1
142.02840	2.3
145.02892	2.3
151.00281	20.1
152.01031	6.9
153.01653	3.0
155.03377	4.3
160.03947	2.4
161.02324	3.9
169.01312	2.9
170.02396	2.2
175.03949	3.0
178.99756	8.9
179.03340	1.7
183.04454	1.6
186.78474	1.4
187.03979	1.7
189.01686	2.0
190.02681	2.9
193.01308	2.2
199.03896	3.8
201.01796	2.7
205.04996	1.9
212.06924	2.0
215.03459	2.5
226.02698	1.8
227.03415	5.0
243.02939	8.7
255.02988	6.5
256.03543	2.2
266.04587	1.9
267.02939	4.3
269.04196	1.8
271.02487	45.5
272.02969	7.1
273.04337	1.5
282.04169	2.5
283.02310	2.3
284.03281	2.0
285.03940	3.1
294.04074	12.9
295.02353	9.2
297.03958	6.0
299.01950	100.0
300.02579	18.6
301.00220	2.4
301.03497	15.5
310.03555	7.1
313.03412	4.8
322.03632	15.9
323.04333	5.9
324.05032	16.9
339.03815	46.1
340.04572	23.4
372.92667	1.4
435.09076	2.2
461.06747	1.6
462.08026	18.6
463.08435	1.7
475.08936	1.8
479.44556	1.6
501.19064	14.4
502.09833	70.1
502.19046	18.2
503.10126	9.7
503.17722	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	503.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73579	0.5
55.01752	1.2
57.03326	1.5
58.00461	0.6
59.00959	0.9
59.01249	16.7
61.98696	2.3
63.19039	0.4
69.03319	1.0
69.21278	0.6
69.21631	5.8
71.01254	13.0
72.01585	0.6
72.99169	1.8
73.02831	4.1
75.00735	1.1
82.31656	0.6
82.66345	0.5
83.01270	2.5
83.04895	0.5
85.02824	7.5
87.00738	1.3
89.02322	6.3
89.05181	0.5
95.01247	1.3
97.02832	0.8
99.00751	2.2
101.02323	10.1
109.02821	2.2
109.06477	0.5
111.00782	0.8
112.45555	0.5
113.02330	5.2
117.03344	1.1
119.03366	1.9
119.04923	1.6
121.02844	1.0
122.03596	1.1
123.00733	0.8
123.04400	1.5
125.02324	0.7
131.03371	1.5
131.04912	2.3
133.02826	1.9
135.04399	5.1
135.06502	1.1
137.02357	1.1
139.03894	0.9
140.04378	0.5
145.02875	6.0
146.03275	1.2
147.04416	0.8
149.04492	0.7
149.05977	3.0
150.06294	1.4
151.03931	0.8
152.07176	0.5
158.03650	0.8
159.02864	1.1
159.04292	0.5
161.02368	5.3
161.04445	4.5
163.03893	0.8
165.01857	0.9
165.05473	1.5
166.99767	1.1
168.00568	0.7
169.02888	0.6
173.02368	1.5
174.03143	14.1
175.03923	35.7
176.04259	1.6
177.01804	1.1
177.05551	0.6
179.03394	1.9
179.05521	0.8
179.10721	3.3
183.02901	1.8
183.04428	0.8
187.03946	2.2
189.01869	1.8
190.02652	1.1
191.03526	0.6
191.05539	0.8
193.05034	1.0
195.06567	1.0
198.03168	28.0
198.98628	0.5
199.03751	2.5
200.04680	0.7
201.05615	0.6
202.02579	2.6
207.04579	0.7
209.06038	0.7
210.01590	1.9
210.03200	1.6
211.03957	1.3
211.07516	1.2
212.04713	5.8
213.05434	0.9
214.02638	0.6
215.03426	1.3
217.01559	1.1
217.04942	3.9
221.04401	0.8
222.03171	6.0
223.03931	0.6
224.04774	4.2
225.03844	4.5
225.05859	0.8
226.02658	2.2
227.03432	7.0
229.05023	2.2
235.03978	0.7
238.02658	2.3
240.04216	6.1
241.04817	0.8
242.02220	0.9
250.02679	1.1
251.03517	1.5
251.05717	0.9
253.04984	2.0
254.02124	2.7
255.02774	1.1
266.02213	22.6
267.02847	3.7
268.03760	15.5
269.01022	0.5
269.04330	2.6
278.02042	0.8
279.03030	4.5
281.06879	1.1
285.06226	3.8
294.01746	2.7
295.02533	6.3
296.03265	21.1
297.03986	9.1
297.11975	2.7
298.04526	0.9
307.08249	1.5
308.08621	0.9
309.04071	0.9
311.15067	4.9
322.01181	38.1
323.01910	4.3
323.05298	0.8
327.07190	1.7
340.02286	5.0
341.02798	1.4
341.06616	2.3
341.13831	7.6
343.15402	1.5
393.06143	2.0
440.27008	0.5
443.18973	2.6
459.09515	0.7
485.07239	17.7
486.07605	2.5
502.31247	1.5
503.08331	100.0
503.20383	4.2
504.08701	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	501.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	1.3
71.04871	1.9
93.85929	0.6
97.06404	1.2
106.57496	0.8
113.05943	0.7
209.11697	2.1
421.31137	0.9
423.32703	12.3
424.32895	2.9
455.31445	2.8
457.33258	2.6
467.31546	1.8
469.33194	100.0
470.33514	17.9
473.32455	1.2
483.30969	2.4
501.32205	27.0
502.32733	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	501.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48604	0.3
51.57321	0.3
57.03334	0.3
58.00450	1.0
59.01247	1.1
61.63803	0.3
63.49757	0.3
64.42383	0.2
71.01252	0.5
73.02818	0.7
78.95780	0.4
92.79989	0.3
95.64280	0.3
97.06454	1.5
97.27188	0.3
98.20576	0.8
109.20928	0.3
127.32166	0.3
131.31947	0.3
182.72028	0.3
189.12744	0.3
201.05138	0.4
217.34564	0.3
241.32497	0.3
277.21686	1.2
306.21964	0.3
372.24326	0.4
374.25964	0.6
377.28854	0.3
381.28055	0.3
387.30441	0.9
389.28534	3.3
393.31552	0.7
405.32050	0.7
406.28745	4.7
407.29257	2.0
421.31161	6.1
422.31314	1.1
423.32690	10.1
424.32947	1.8
437.30554	0.4
439.27576	0.6
439.32193	1.2
440.31073	0.4
455.31335	0.5
457.33368	1.1
467.31793	1.1
469.33191	100.0
470.33542	16.0
470.40451	0.4
501.31693	20.9
502.32016	3.4
513.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3221
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01242	1.0
60.99174	0.3
71.50971	0.5
75.00719	0.2
89.17468	0.2
101.05996	0.2
119.08541	0.4
130.35199	0.2
192.36336	0.2
199.25507	0.2
223.88005	0.2
300.68549	0.2
405.27893	5.0
406.28339	0.8
409.27362	0.6
420.30057	0.2
421.31128	18.6
422.31400	2.9
425.30612	0.7
437.30569	0.3
439.32178	11.0
440.32434	1.8
441.30350	0.3
455.31580	0.8
457.33139	0.9
469.33301	2.5
470.33423	0.4
483.31152	1.2
501.32196	100.0
502.32532	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	501.3223
Annotation	Dianic acid
Peak:m/z	Relative Intensity
55.36197	0.3
57.03220	0.5
57.03455	0.4
59.01110	3.3
59.01450	1.7
61.98580	0.8
61.98872	0.5
71.01100	1.8
71.01522	0.6
72.99020	0.4
73.02662	3.6
73.03123	1.1
73.49301	0.3
75.59192	0.4
77.51075	0.3
85.02686	0.7
85.03128	0.4
85.06285	1.1
85.06750	0.4
89.02190	0.8
97.06311	0.4
101.02135	1.5
103.03742	0.7
109.06242	0.4
113.02165	0.8
123.04317	0.3
125.02197	0.4
125.45501	0.4
135.45425	0.4
139.11020	0.4
141.52022	0.3
155.14117	1.0
161.04260	0.6
166.73792	0.3
173.05746	0.4
174.02974	0.8
183.13644	0.7
201.05345	0.4
270.98639	0.7
295.26230	1.4
298.98114	1.2
300.99869	0.5
321.20621	0.8
332.54733	0.4
339.25336	7.5
340.25616	0.8
349.25110	0.5
353.23166	0.7
357.26331	0.9
369.22614	0.7
379.26071	0.4
389.28320	0.5
391.26212	0.7
393.27875	0.5
405.27924	0.5
407.29608	4.6
409.31085	0.6
423.29175	2.2
424.29410	0.5
425.26428	1.0
425.31171	0.7
427.64447	0.4
437.30365	1.4
439.28101	1.1
441.30026	0.5
455.31638	54.7
456.32001	9.0
457.33487	2.5
501.32263	100.0
502.07056	0.4
502.32626	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	501.322
Annotation	Dianic acid
Peak:m/z	Relative Intensity
57.03310	0.5
59.01245	3.9
61.82848	0.3
62.82474	0.3
70.83997	0.7
70.84331	0.4
71.01250	1.3
71.04877	1.1
73.02816	2.0
83.04895	0.8
89.02322	0.3
93.27309	0.3
95.04932	0.3
97.06476	0.5
104.04288	0.3
104.85178	0.3
109.06470	0.4
113.02316	0.5
114.26360	0.4
120.14640	0.4
121.06497	0.6
123.08070	0.4
123.87959	0.3
134.55020	0.3
173.04703	0.4
174.03209	0.4
175.03946	2.3
189.01814	0.6
189.12723	0.5
239.85542	0.3
251.10088	0.3
255.17424	0.4
268.63889	0.4
292.54749	0.4
295.26422	0.5
321.20749	0.9
339.25333	1.1
357.26028	0.5
373.29285	0.5
375.26898	0.8
389.28503	1.4
391.30127	5.8
392.30469	1.0
393.27975	1.1
407.29523	1.3
423.28656	0.4
425.30975	0.5
437.30655	4.1
439.32364	1.0
455.31653	35.6
456.31958	6.6
457.33002	1.0
471.30994	0.8
501.32230	100.0
502.32602	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	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62465	0.1
59.01236	0.4
61.98683	0.1
71.01254	0.1
71.04841	0.1
83.04882	0.1
85.02792	0.1
87.04371	0.2
117.18180	0.1
151.07506	0.4
151.98857	0.1
209.46333	0.1
209.66644	0.1
330.18335	0.1
382.58960	0.1
393.27884	0.2
407.29523	0.5
408.29935	0.1
409.31238	0.2
421.30878	0.1
425.29803	0.1
439.32147	0.3
453.29996	0.4
455.31879	0.2
457.33325	0.2
469.33307	0.2
471.31171	3.7
472.31509	0.6
483.31073	1.1
484.31360	0.2
501.32190	100.0
502.32547	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	501.3222
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
51.76297	0.3
59.01232	1.1
61.98696	0.4
62.43703	0.3
64.57559	0.3
75.02080	0.3
94.58431	0.3
96.47089	0.3
102.33824	0.3
118.75278	0.3
175.11153	0.6
189.12735	0.9
231.79971	0.3
232.03467	0.3
377.28723	0.6
379.29977	0.7
409.27628	0.4
411.29202	0.6
413.34338	1.5
423.29016	16.4
424.29449	2.4
428.57037	0.3
439.32178	17.7
440.32495	2.6
453.30215	0.3
455.31421	0.6
457.27213	0.6
457.33301	9.2
458.33914	1.4
467.32175	0.4
469.33081	4.0
470.33444	0.5
483.31015	3.9
484.31296	0.7
501.32205	100.0
502.32550	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	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.2
61.98703	4.4
65.64973	0.5
71.01252	3.0
71.51643	0.7
72.99170	1.0
73.02821	1.4
75.00738	1.5
79.95580	0.6
85.02811	1.5
87.00770	0.7
89.02299	1.4
93.03325	1.4
95.01252	0.7
96.95887	1.6
97.02817	1.1
99.04381	0.9
101.02303	2.2
101.29055	0.5
102.98479	0.9
107.04891	0.7
109.02847	0.8
111.00748	0.5
113.02324	1.6
115.13870	0.5
117.03337	1.9
119.04913	100.0
120.05265	3.6
121.02845	2.1
123.00774	1.6
124.01600	0.9
125.02313	1.0
127.00219	0.5
132.02063	4.6
133.02856	9.2
134.03645	5.3
135.04410	8.1
135.54019	0.5
136.04768	0.6
137.02339	1.9
139.03938	0.8
145.02846	3.1
147.04419	0.7
149.05980	1.7
153.05420	0.8
154.01341	2.0
155.01692	1.0
158.03638	25.9
159.04413	4.3
160.00461	0.3
160.01561	19.8
161.02347	32.0
161.04491	1.1
162.02739	1.5
163.03912	55.8
164.04266	2.2
165.01828	1.1
166.99771	0.5
171.04385	0.6
173.02394	0.7
173.04472	0.7
174.03084	0.9
175.03914	32.2
176.04291	1.3
177.01773	0.6
177.05501	10.6
177.07053	0.8
178.05794	0.6
179.03410	7.7
181.01311	0.8
182.02077	1.1
183.02914	2.4
185.18280	0.5
193.04976	6.1
197.04503	2.1
201.05495	2.9
203.03432	1.0
203.61263	0.5
213.05548	1.3
221.04495	3.3
231.98032	0.5
235.05934	0.6
251.05571	1.6
262.54828	0.5
263.05569	0.7
267.08844	0.4
278.02063	0.5
281.06635	1.7
289.18018	0.5
295.08453	0.6
299.07626	1.3
299.99005	0.7
310.65591	0.5
323.07690	24.7
324.02658	2.0
324.08084	2.1
326.06940	0.5
327.07156	4.3
337.09305	24.8
338.09534	1.9
339.04965	1.5
339.08267	0.9
341.08801	6.5
501.14014	33.8
502.14545	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	501.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.9
57.03316	0.6
58.00439	0.4
59.01247	10.9
61.98695	1.2
62.76723	0.3
69.26281	2.9
71.01247	7.7
72.99174	1.2
73.02815	2.2
75.00732	0.5
78.95784	0.6
83.01270	1.0
83.04891	0.4
85.02820	3.4
87.00760	1.3
87.04369	0.8
87.82589	0.4
89.02325	4.0
92.66206	0.3
93.03355	1.1
94.06616	0.4
95.01273	0.6
97.06476	0.5
97.85352	0.3
99.00750	1.0
101.02318	5.7
105.81926	0.4
107.04932	0.5
109.02847	1.0
111.00764	0.6
113.02334	3.6
114.02707	0.4
117.03345	27.2
118.03693	1.6
118.04430	0.3
118.08315	0.3
119.03407	1.2
119.04916	7.8
119.05744	0.6
120.03512	0.4
120.71961	0.3
121.02844	0.7
123.04428	0.4
125.02335	1.1
131.75258	0.3
132.02072	1.1
133.02873	0.6
133.06474	0.7
134.03633	5.5
135.04422	0.7
137.02338	0.7
139.11134	0.4
141.09172	0.7
145.02853	100.0
146.03188	4.7
147.04395	1.0
148.05151	0.5
149.05972	1.4
152.53136	0.3
158.03580	0.8
159.03027	0.4
159.04356	1.8
160.01567	8.2
161.02321	1.2
161.04468	2.4
161.06001	1.9
161.09602	0.6
163.03917	9.7
165.09119	0.4
173.04491	1.3
173.05939	0.4
174.03127	1.2
175.00414	0.7
175.02376	0.8
175.03911	13.5
176.04660	1.8
177.01912	0.6
177.05524	0.5
178.02586	0.8
179.03421	1.1
179.10724	0.4
183.10213	0.6
187.03934	4.7
187.11263	0.6
189.01826	0.6
189.09071	0.6
191.03397	0.5
191.05487	0.5
191.07056	1.5
193.04987	7.1
193.08665	0.3
194.05379	0.4
201.11493	0.4
205.05006	0.9
205.12392	0.4
207.06523	0.6
217.04991	1.0
219.13872	0.4
219.26996	0.3
221.11670	0.3
224.41072	0.4
225.52127	0.4
235.06033	3.5
251.11397	0.6
265.07062	1.8
295.08270	2.6
295.11011	0.6
299.99136	0.7
300.99841	0.6
307.08215	1.2
323.07791	1.5
325.03540	1.1
333.03970	0.5
337.09268	12.1
337.13358	0.7
338.09747	1.0
339.04987	0.7
353.23285	0.9
355.10358	1.0
441.11804	0.5
500.29684	1.5
501.13699	6.0
501.23074	2.7
501.30725	5.0
502.14243	0.9
502.25455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.9
57.03316	0.6
58.00439	0.4
59.01247	10.9
61.98695	1.2
62.76723	0.3
69.26281	2.9
71.01247	7.7
72.99174	1.2
73.02815	2.2
75.00732	0.5
78.95784	0.6
83.01270	1.0
83.04891	0.4
85.02820	3.4
87.00760	1.3
87.04369	0.8
87.82589	0.4
89.02325	4.0
92.66206	0.3
93.03355	1.1
94.06616	0.4
95.01273	0.6
97.06476	0.5
97.85352	0.3
99.00750	1.0
101.02318	5.7
105.81926	0.4
107.04932	0.5
109.02847	1.0
111.00764	0.6
113.02334	3.6
114.02707	0.4
117.03345	27.2
118.03693	1.6
118.04430	0.3
118.08315	0.3
119.03407	1.2
119.04916	7.8
119.05744	0.6
120.03512	0.4
120.71961	0.3
121.02844	0.7
123.04428	0.4
125.02335	1.1
131.75258	0.3
132.02072	1.1
133.02873	0.6
133.06474	0.7
134.03633	5.5
135.04422	0.7
137.02338	0.7
139.11134	0.4
141.09172	0.7
145.02853	100.0
146.03188	4.7
147.04395	1.0
148.05151	0.5
149.05972	1.4
152.53136	0.3
158.03580	0.8
159.03027	0.4
159.04356	1.8
160.01567	8.2
161.02321	1.2
161.04468	2.4
161.06001	1.9
161.09602	0.6
163.03917	9.7
165.09119	0.4
173.04491	1.3
173.05939	0.4
174.03127	1.2
175.00414	0.7
175.02376	0.8
175.03911	13.5
176.04660	1.8
177.01912	0.6
177.05524	0.5
178.02586	0.8
179.03421	1.1
179.10724	0.4
183.10213	0.6
187.03934	4.7
187.11263	0.6
189.01826	0.6
189.09071	0.6
191.03397	0.5
191.05487	0.5
191.07056	1.5
193.04987	7.1
193.08665	0.3
194.05379	0.4
201.11493	0.4
205.05006	0.9
205.12392	0.4
207.06523	0.6
217.04991	1.0
219.13872	0.4
219.26996	0.3
221.11670	0.3
224.41072	0.4
225.52127	0.4
235.06033	3.5
251.11397	0.6
265.07062	1.8
295.08270	2.6
295.11011	0.6
299.99136	0.7
300.99841	0.6
307.08215	1.2
323.07791	1.5
325.03540	1.1
333.03970	0.5
337.09268	12.1
337.13358	0.7
338.09747	1.0
339.04987	0.7
353.23285	0.9
355.10358	1.0
441.11804	0.5
500.29684	1.5
501.13699	6.0
501.23074	2.7
501.30725	5.0
502.14243	0.9
502.25455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72411	0.4
57.03315	0.4
58.32772	0.4
58.64622	0.3
59.01252	5.1
60.12004	0.4
61.98718	0.8
62.28951	0.4
65.00208	0.5
69.19176	3.9
71.01254	5.4
72.99168	0.6
73.02824	1.7
75.00761	0.5
75.32455	0.4
79.18750	0.4
83.01250	0.9
84.36644	0.4
85.02822	1.9
85.56419	0.3
89.02317	2.0
93.03339	1.2
95.01315	0.4
99.00777	0.6
101.02316	2.9
107.01279	0.6
109.02837	0.7
111.04468	0.4
113.02333	1.9
117.03345	0.9
119.04918	100.0
120.05238	3.6
120.05920	0.4
120.99553	0.4
121.02837	1.0
121.06465	0.6
123.00777	1.4
123.04418	0.7
125.02355	3.0
131.03406	1.4
132.02077	7.5
133.02811	1.5
134.03648	7.3
135.04457	1.4
135.08014	0.5
137.02330	1.0
139.00261	0.5
139.03903	0.6
143.03380	0.4
145.02864	3.1
147.04436	1.1
149.06027	1.7
151.00302	0.7
153.01799	0.5
159.04381	0.9
160.01573	30.1
161.02357	5.2
161.04495	1.6
161.05960	0.7
162.02647	0.6
163.03920	88.7
164.04247	4.0
164.81387	0.4
166.04997	0.4
169.01346	2.1
173.04434	0.5
174.03212	0.9
175.03923	33.3
176.04201	2.0
177.01871	0.7
177.05476	1.8
178.02585	1.7
179.03333	0.8
193.01352	0.9
193.04993	7.3
217.04999	0.4
223.04131	0.4
225.26605	0.5
271.04660	0.6
295.02542	1.6
296.99509	0.4
299.99030	1.1
300.99915	0.5
307.08307	1.3
309.13480	3.2
323.07654	3.4
324.08051	0.4
329.04834	0.4
337.09293	24.9
338.09540	2.1
339.01285	0.6
339.12222	0.5
339.18106	0.6
441.17923	0.5
501.03003	0.8
501.13989	11.2
501.20020	5.2
501.30923	1.2
502.14066	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	501.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01525	0.5
55.01772	1.8
57.01694	0.4
57.03333	1.1
59.01247	7.5
61.98694	2.7
71.01250	9.9
71.51448	0.5
72.99196	0.5
73.02820	3.1
75.00757	0.6
83.01270	1.4
85.02823	5.0
86.53168	0.5
86.56392	0.4
87.00755	0.9
89.02320	2.4
93.03326	2.8
95.01280	1.4
99.00774	1.4
101.02316	8.6
103.01997	0.4
104.73335	0.6
107.13368	0.5
108.02069	1.8
109.02842	0.8
112.09170	0.5
113.02322	4.3
117.03345	14.0
119.04914	8.8
121.02880	0.6
121.06468	0.6
123.00732	0.4
123.04462	0.6
125.02357	1.0
131.04955	0.5
133.02846	1.2
135.04414	0.9
135.08055	0.6
137.02362	0.5
137.11427	0.5
143.03395	0.8
145.02849	64.6
146.03151	3.5
147.04434	1.4
149.05978	100.0
150.06325	4.4
159.02858	0.8
159.04359	0.6
161.02351	2.9
161.04474	5.8
161.05873	1.0
163.03928	8.3
165.09027	0.5
169.01324	0.7
174.03084	1.0
175.03897	1.1
177.01845	0.8
183.10170	0.5
187.03911	0.6
189.01857	1.3
191.05553	0.5
192.00624	0.9
193.01303	1.6
193.04987	28.3
194.05342	1.2
205.04994	0.8
217.01282	1.4
248.34518	0.5
258.95804	0.5
281.04630	0.4
307.08212	23.3
308.08603	2.6
337.09369	0.6
339.12128	0.9
341.06491	1.9
346.98398	0.5
355.10321	44.2
356.10672	3.7
409.48672	0.5
465.11761	2.2
501.14020	14.0
501.21320	0.7
501.30234	5.8
502.14139	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	501.1248
Annotation	Daphneside
Peak:m/z	Relative Intensity
56.21903	0.8
70.64813	2.7
88.43111	0.7
101.47210	1.0
109.02819	5.6
125.02338	1.8
133.02782	1.4
135.04402	4.2
146.03665	1.1
147.04422	6.6
148.05186	3.0
149.02380	1.1
149.05966	11.2
150.06126	0.9
159.04399	1.5
161.02341	2.5
161.06012	4.9
163.03836	2.2
173.06026	1.7
174.03079	1.1
175.03886	6.9
176.04643	1.4
177.05476	1.2
185.04460	1.0
189.05489	15.3
190.05772	1.4
191.03421	1.4
191.07039	3.6
203.06979	1.3
205.05075	1.8
217.05011	10.5
218.05278	1.3
219.02922	3.4
221.04442	3.3
231.63702	1.1
235.06108	4.8
237.04034	6.1
277.07123	1.6
279.05139	5.3
295.08182	10.0
339.07181	100.0
340.07510	10.0
501.12601	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	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.2
61.98694	3.1
71.01251	3.4
71.51431	0.8
72.99184	1.0
73.02824	1.3
75.00751	1.5
85.02826	1.3
87.00729	0.7
89.02322	0.7
93.03324	1.5
96.95877	1.5
97.02792	0.5
101.02335	1.9
102.98461	0.6
107.01274	0.8
109.02856	0.7
113.02341	1.3
117.03324	1.5
119.04910	100.0
120.05199	2.9
121.02844	1.9
123.00771	1.3
123.04398	0.8
125.02319	0.7
130.62161	0.5
131.07059	0.6
132.02069	3.7
133.02852	10.2
134.03650	6.4
135.04448	6.7
137.02357	1.4
139.03943	0.6
145.02818	2.9
147.04419	0.8
149.06004	1.6
153.05414	0.7
154.01364	1.9
155.01715	1.0
158.02322	0.7
158.03641	19.4
159.04390	4.1
160.01564	21.1
161.02348	29.5
161.09618	0.6
162.02777	1.6
163.03911	51.0
164.04227	1.7
173.02327	0.7
173.04541	0.6
174.03027	0.6
175.03920	32.5
176.04373	1.4
177.01799	0.7
177.05490	10.2
178.02820	0.7
178.05872	0.5
179.03404	7.8
182.02167	0.8
183.02902	2.2
188.96297	0.6
191.03101	0.5
191.05473	1.2
193.04961	5.6
197.04468	1.7
201.05499	2.2
203.03484	1.0
213.05534	1.0
217.05125	0.6
221.04456	2.6
224.75333	0.6
251.05562	1.2
267.02997	0.6
276.50363	0.6
278.02328	0.6
281.06607	0.8
299.07727	0.8
300.99878	0.7
323.01822	1.4
323.07687	24.1
324.02765	2.5
324.07813	1.6
327.07257	3.9
337.09277	24.5
338.04111	0.6
338.09518	1.9
339.05029	2.2
341.08682	4.1
483.33197	0.7
501.14035	27.5
501.22113	2.0
502.14374	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	501.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.7
59.01248	6.3
61.98691	1.0
71.01233	2.4
73.39691	0.6
79.86148	0.5
81.03325	2.9
83.01248	4.5
85.02810	1.1
89.02296	0.7
93.03329	0.9
94.30820	0.5
95.04879	1.9
97.02802	1.1
99.04368	2.8
101.02319	1.4
109.02812	0.7
111.21159	0.6
113.02291	0.7
113.05962	0.9
123.04424	1.0
125.01456	1.0
125.02335	18.6
128.15419	0.5
137.02324	1.5
139.03853	1.4
149.05974	2.4
164.00993	1.3
165.01869	1.4
167.03403	11.7
173.05988	2.0
179.03371	1.6
191.05522	0.8
193.04944	1.0
201.05496	2.3
223.57559	0.5
224.04720	0.7
233.06099	0.8
237.05476	1.6
242.99283	1.6
245.06087	1.1
247.03993	0.9
261.05569	3.9
264.04111	0.7
265.04987	5.9
268.38904	0.6
270.98813	6.5
273.05496	1.3
275.03470	4.1
276.04193	1.9
277.05026	4.9
279.06583	0.7
283.13254	0.9
288.04227	0.8
289.05060	27.2
290.05460	3.1
291.03085	1.0
291.06647	2.1
292.03778	10.2
293.04495	4.3
298.98325	10.5
299.98718	1.0
301.05042	1.7
303.03006	1.4
303.06613	1.5
305.04547	12.8
306.05212	8.3
307.05804	1.7
316.32422	0.6
317.04514	23.7
318.04739	3.1
319.06058	1.3
320.03207	7.8
321.04013	100.0
322.04355	10.9
329.04587	4.1
331.06006	1.3
333.04050	4.1
334.04807	30.6
335.05566	28.3
336.05951	2.2
339.25317	1.3
344.99832	0.4
345.03979	11.0
345.07922	0.9
346.00677	0.6
346.04596	3.2
347.05557	3.3
353.23358	0.6
357.04080	3.7
358.04730	1.7
361.03421	2.4
362.04288	12.1
363.05081	68.7
364.05368	7.0
374.04199	1.3
375.05069	22.0
376.05484	3.2
397.07233	0.8
399.05121	0.7
415.08224	1.3
439.07950	0.8
439.32056	1.2
457.09103	1.1
457.17993	1.2
459.07025	0.9
483.07190	4.5
483.31357	1.1
501.08279	94.9
501.32559	11.0
502.01831	1.1
502.08646	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	501.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93000	0.5
57.03313	2.0
59.01244	1.9
71.01234	1.0
71.04903	0.7
71.39990	0.5
71.64346	0.5
81.03314	0.6
82.00613	0.5
83.01250	2.2
83.67214	0.6
85.48995	0.4
97.06398	0.5
99.04357	0.7
110.49750	0.5
125.02339	8.5
137.02371	0.7
161.02429	0.9
167.03427	3.3
179.03424	1.6
229.57796	0.5
236.62549	0.5
237.05470	1.7
244.11748	0.4
245.06056	0.8
246.02330	0.5
249.05635	0.5
254.53642	0.5
261.05542	3.2
262.06131	0.6
263.07077	1.6
265.05017	2.7
275.03534	0.7
276.04221	1.3
277.04980	3.1
278.05658	0.7
279.06537	0.7
289.05048	25.0
290.05579	4.3
291.06567	3.4
292.03775	7.5
292.06796	0.8
293.04510	4.2
304.03671	0.7
305.04572	5.7
306.05304	14.9
307.05957	3.8
317.04449	5.1
318.05310	3.3
320.03265	3.4
321.04013	48.3
322.04297	4.9
329.04633	1.7
331.02261	0.6
333.03946	2.1
334.00677	0.9
334.04797	27.0
335.05582	100.0
336.05984	9.3
339.25595	0.7
345.04099	5.8
346.04492	1.7
347.05682	1.1
357.04010	1.2
361.03510	1.6
362.04230	5.5
363.05078	39.2
364.05450	4.2
373.07037	0.9
374.04410	0.7
375.05072	15.1
376.05508	1.5
397.07190	1.6
399.05090	1.0
414.07062	1.0
415.08334	0.7
417.06375	0.7
439.08063	1.0
457.09222	1.9
457.33127	0.8
483.07181	1.4
501.08246	35.1
501.32434	12.9
502.08588	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	500.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58781	0.2
54.75869	0.2
55.01743	0.2
59.01255	1.4
61.98700	100.0
71.01253	1.2
71.51867	0.3
73.02824	0.3
74.02402	0.2
83.21344	0.2
85.02827	0.6
87.00769	0.4
89.02315	0.6
93.03359	0.4
95.01249	0.2
96.95926	0.2
101.02331	0.6
107.04945	0.3
113.02347	0.4
117.03381	0.9
119.03421	0.2
119.04933	0.6
121.02872	0.4
125.02343	0.5
127.40878	0.2
133.06461	0.2
134.03641	1.7
135.04442	0.3
137.02356	0.4
139.00310	0.2
139.03925	0.2
145.02850	5.0
145.03917	0.3
145.73306	0.2
149.05988	3.2
154.01361	0.7
154.74260	0.2
161.09637	0.5
163.03941	0.8
165.01855	0.3
169.01349	0.5
173.04469	0.3
174.03218	0.3
175.03925	1.1
178.02632	1.1
179.10712	0.3
187.03862	0.3
187.11301	0.8
189.09229	0.4
191.05606	0.5
193.04994	3.1
193.06610	0.3
201.01898	0.3
205.12199	0.3
251.11398	0.3
267.12271	0.2
295.02673	0.2
296.06464	0.5
307.08221	2.2
337.07245	1.2
338.07483	2.8
338.11102	0.3
339.07693	0.3
355.10263	1.4
442.42987	0.2
500.19119	0.7
501.14380	1.4
501.24399	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	499.3063
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.92647	0.3
57.03328	0.4
59.01247	1.7
71.04877	0.9
71.50593	0.6
71.50968	0.5
74.13718	0.3
85.20808	0.3
87.58943	0.4
89.88380	0.4
98.44353	0.4
110.17263	0.4
113.19085	0.3
124.20705	0.3
137.72527	0.3
168.12904	0.4
271.22955	0.5
317.21262	0.4
349.73846	0.5
375.26849	0.6
391.30038	0.8
419.29623	2.8
421.27484	0.7
437.30557	100.0
438.30893	17.7
455.31613	7.9
456.31985	1.6
499.30624	52.6
500.30948	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	500.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.0
61.98699	100.0
67.09628	0.3
67.30465	0.3
71.01250	0.9
71.28426	0.4
73.02797	0.4
85.02832	0.5
85.69887	0.3
89.02329	0.6
92.44756	0.3
96.35903	0.3
101.02323	0.7
107.04904	0.3
113.02352	0.6
117.03348	0.9
119.04935	0.6
121.02842	0.3
134.03662	1.1
137.02348	0.4
145.02859	4.5
149.05965	2.6
154.01430	0.6
161.02385	0.3
161.09692	0.5
163.03960	0.7
169.01401	0.3
173.04500	0.5
175.03946	0.8
178.02658	1.2
187.11359	0.6
189.09152	0.3
193.04985	2.8
205.12210	0.3
249.05717	0.3
296.06494	0.8
307.08212	1.9
337.07254	1.1
338.07425	2.9
355.10446	1.0
469.80643	0.4
500.18845	0.9
501.14005	1.1
501.23520	1.3
521.98413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Rolapitant
Peak:m/z	Relative Intensity
56.65288	0.3
57.03326	0.6
59.01246	0.4
61.50989	0.3
64.65385	0.3
69.98383	1.7
69.98760	0.6
71.01257	2.4
73.02806	0.6
81.03336	0.4
85.02814	1.3
87.04392	2.0
90.20213	0.3
95.01266	0.6
95.56976	0.4
98.59589	0.4
101.02329	0.8
102.15392	0.3
108.02051	20.3
109.02847	14.9
109.03603	0.7
110.03190	0.4
110.58474	0.3
113.02316	0.8
120.74845	0.3
123.00764	0.7
151.03928	0.6
152.01057	28.8
153.01846	9.9
161.04433	0.6
165.01823	0.4
175.11266	0.3
183.79837	0.4
201.11252	0.7
208.37828	0.3
225.03746	0.4
277.78882	0.3
315.07211	7.8
315.10638	0.6
499.18213	100.0
500.18542	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	499.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93488	0.1
54.07021	0.1
59.01246	0.4
61.78468	0.1
61.98692	0.3
71.01250	0.5
75.00718	0.2
81.03355	0.3
85.02821	0.4
87.04387	1.1
89.02333	0.4
93.03349	0.6
95.04904	0.6
96.95840	0.2
101.02325	0.4
105.03300	0.2
108.02050	0.4
109.02862	0.5
121.02856	0.4
122.03626	0.7
123.04405	62.7
124.04743	2.1
125.02348	0.3
131.06944	0.2
135.02905	0.4
135.04419	0.2
136.01547	0.1
137.02254	0.1
139.11205	0.1
152.01100	0.2
152.04709	0.2
153.05473	100.0
154.05815	4.0
161.04457	0.2
168.84581	0.2
169.01334	0.2
173.04446	0.4
174.03163	0.7
175.03886	0.3
190.02646	0.6
195.06613	0.2
201.11237	1.1
205.05022	0.4
218.02177	1.4
219.02606	0.2
219.06502	0.2
225.38287	0.2
293.08295	0.2
297.09772	0.5
298.10120	0.2
307.17578	0.3
315.10837	4.0
316.11166	0.2
324.05115	0.2
381.08221	1.1
499.18420	0.6
499.21704	0.6
500.22192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
57.03313	0.8
58.00487	0.6
59.01255	5.4
61.98680	0.8
63.93822	0.5
66.00828	0.7
67.01744	1.0
69.03342	0.7
69.31585	4.5
71.01247	5.8
72.01604	0.5
72.12682	0.6
72.99172	1.4
73.02826	1.2
75.00699	0.6
78.74118	0.5
79.01760	1.0
81.03316	0.6
83.01243	1.1
85.02804	2.1
87.00745	0.6
87.04390	2.0
89.02325	1.1
93.03339	0.9
95.01268	2.1
95.04900	0.8
96.95878	0.6
97.02827	1.3
98.20605	1.2
99.00763	1.1
101.02308	2.0
107.01266	4.5
108.02065	5.6
109.02848	3.1
111.00768	1.9
113.02315	1.8
121.02840	1.0
123.00775	15.2
123.04403	65.0
124.04741	1.5
125.02332	18.4
125.09613	0.8
126.02712	0.7
135.04419	1.2
136.98917	0.5
137.02350	1.1
139.00264	4.1
140.01038	1.8
141.01825	1.7
149.02362	0.6
149.05959	1.2
151.00258	12.4
152.01082	4.3
153.02020	2.7
153.05469	100.0
154.05809	3.1
155.03375	1.1
155.56174	0.5
161.02425	1.0
161.04420	1.6
165.01875	0.8
168.00545	2.3
169.01332	32.8
170.01752	1.2
173.04460	0.6
174.03139	0.7
175.00249	0.7
175.03929	1.4
183.02977	0.8
183.10150	0.6
185.11761	11.3
190.02692	1.6
191.05522	0.8
193.01247	0.8
193.04932	0.7
199.13315	12.8
201.11264	0.8
205.05060	1.2
211.02425	6.6
217.52531	0.6
227.12852	2.0
253.03438	0.8
307.17413	3.3
313.05734	1.9
315.07449	0.8
315.10718	3.8
358.06308	0.5
439.21823	0.8
499.18152	90.9
500.18661	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	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64629	0.6
56.10346	0.7
57.03309	1.5
59.01249	13.0
61.98693	0.9
65.00190	0.5
66.00827	1.0
67.01751	0.8
69.03337	0.8
71.01252	13.6
71.50887	0.8
72.99175	1.4
73.02818	10.5
75.99957	0.5
76.55060	0.7
83.01259	1.3
85.02808	6.9
87.00740	2.8
87.04407	1.2
89.02317	5.8
91.01761	1.5
93.03336	2.9
95.01257	1.3
96.95855	0.9
99.00748	2.2
101.02325	4.6
103.03878	2.9
107.04877	1.0
108.02046	9.8
109.02846	9.1
111.00767	1.0
111.04408	0.8
113.02324	4.2
119.01270	5.3
121.02840	2.5
123.00756	1.9
123.04401	4.4
124.01532	0.6
125.02342	2.8
131.03380	10.1
132.02049	0.8
134.03616	1.5
135.02892	0.9
135.04404	2.2
137.02327	1.7
139.00287	1.1
140.00977	0.8
145.02943	0.8
147.00768	4.0
147.04434	1.1
149.02342	13.0
150.02657	0.8
151.00287	1.9
151.03912	1.0
152.01057	10.9
153.01849	8.4
153.05435	4.2
161.02325	1.7
161.04439	2.9
162.03191	0.7
163.03889	2.2
164.04704	14.2
165.01851	2.3
165.05170	1.4
166.99713	0.8
167.03331	0.7
169.01321	3.6
173.04471	4.6
174.03098	3.2
175.00276	29.9
175.03856	2.2
176.00667	1.2
177.01878	0.7
179.07051	2.4
187.07640	1.5
190.02632	78.0
191.03061	5.6
191.05476	3.3
193.01367	0.7
201.01929	1.0
204.04260	0.8
205.04996	100.0
206.05380	7.6
207.06464	0.8
208.03688	0.9
209.04408	0.7
217.04967	0.8
218.02116	7.3
219.02684	1.1
221.08180	1.3
223.06078	37.5
224.06403	2.8
227.03493	1.2
265.07111	6.5
266.07605	1.1
293.08606	2.2
295.08115	1.1
300.99908	1.1
307.12042	0.6
315.07367	1.2
315.10757	1.1
319.14056	1.0
325.09363	1.4
325.12732	0.9
347.63058	0.7
367.10297	21.9
368.10663	1.9
381.08188	4.1
441.14056	5.8
455.15430	0.7
481.17404	0.7
484.13199	0.9
499.14716	30.6
500.14960	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	499.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37714	0.3
55.89357	0.3
56.51557	0.3
59.01254	1.3
69.37807	2.7
69.90580	0.3
71.01251	1.3
73.02809	0.5
89.02316	0.3
100.03747	0.3
101.02267	0.4
109.02822	0.5
113.02295	0.6
117.03336	0.5
121.02855	0.4
125.02288	0.4
130.04150	0.4
131.04918	5.7
132.02063	0.6
133.02844	11.9
134.03665	1.8
135.04414	18.0
137.02321	0.9
147.04425	1.4
148.05177	0.5
149.06041	2.2
157.02824	0.6
159.04472	0.4
161.02350	33.6
161.86249	0.3
162.02721	1.3
173.02345	1.1
174.03143	34.6
175.03920	100.0
176.04272	4.3
177.05498	3.7
178.02649	0.4
179.03416	15.0
179.36082	0.4
180.03751	0.7
187.03934	3.8
188.04501	0.4
189.05484	0.4
189.48376	0.4
200.04715	0.7
201.05545	0.4
203.03450	0.6
217.04970	3.8
221.04521	8.4
222.04892	0.5
229.05055	3.3
230.32793	0.3
235.26103	0.3
251.05579	9.7
252.05917	0.6
254.11862	0.3
263.05597	0.4
281.06665	11.7
281.09750	0.7
282.06973	0.8
291.04871	0.3
311.07742	1.1
323.07709	31.9
324.08069	2.9
341.08731	12.0
342.09177	1.0
423.13217	0.4
499.12421	6.0
499.18628	0.4
500.12674	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	499.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.3
55.48183	0.9
55.64948	0.9
57.03306	1.5
59.01246	10.0
61.98705	6.2
69.03320	1.4
71.01262	7.1
72.99161	1.1
73.02811	2.2
75.00745	7.2
78.95699	0.9
83.01270	1.5
85.02821	3.3
85.67179	0.8
87.00731	2.1
89.02306	3.4
93.03329	1.8
99.00726	1.0
101.02316	4.3
107.01271	1.0
108.02015	2.8
109.02807	3.4
110.35953	0.9
113.02325	2.5
117.03348	5.6
119.03386	1.2
119.04895	2.0
120.99480	1.1
121.02822	3.1
123.04369	1.1
124.44250	0.9
125.02338	7.8
131.03375	1.6
131.04909	5.8
131.07021	3.6
133.02844	7.7
133.65211	0.9
134.03632	1.8
135.03445	1.2
135.04416	15.4
135.07988	1.6
137.02301	2.9
143.47673	1.0
147.04449	1.4
149.02333	2.8
149.05981	2.3
151.03966	1.2
151.07495	1.7
152.01056	5.3
153.01837	2.3
159.04459	1.5
161.02344	33.7
161.04399	1.5
162.02666	1.1
163.03900	1.1
164.04657	2.5
165.01898	0.9
168.00537	1.7
169.01321	11.3
169.07573	0.9
173.02324	2.7
173.04468	1.4
174.03133	35.9
175.00458	5.8
175.03918	100.0
176.04332	4.6
177.05493	3.6
179.03409	14.1
187.03947	3.9
189.01863	1.1
190.02634	13.3
191.03275	1.1
191.05524	2.3
200.04718	1.5
203.03453	1.6
205.04979	11.8
206.05429	1.3
217.04974	3.0
221.04500	6.9
223.06111	4.0
229.05000	2.6
251.05598	8.3
259.53189	1.0
265.07141	2.0
266.63367	0.9
274.14288	0.9
275.13138	1.0
281.06595	10.4
293.12479	5.8
293.24814	2.4
299.99155	1.2
323.07697	28.0
324.08063	2.1
325.09561	1.2
336.22510	2.2
337.23761	3.2
337.54620	2.0
338.05048	4.4
341.08691	9.6
499.11774	1.3
499.18182	7.1
499.21927	11.2
499.32507	2.6
501.06238	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	499.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55353	0.4
59.01247	4.9
61.98700	3.7
69.29668	2.0
69.30099	1.9
71.01251	3.7
72.99146	0.5
73.02802	0.7
83.85114	0.5
85.02812	1.3
85.06480	2.3
89.02311	2.0
93.03341	0.7
95.01200	0.5
101.02322	2.3
109.02186	0.6
109.02807	3.1
113.02332	1.4
113.05946	1.1
115.86726	0.5
117.03381	0.8
119.03400	1.1
121.02846	1.9
123.00736	0.5
125.02332	1.0
127.07531	0.5
129.32143	0.5
131.07034	8.0
135.04404	4.8
135.16229	0.4
143.10683	0.6
145.02844	0.5
148.05205	5.5
149.02319	4.2
153.61519	0.4
154.01349	1.6
161.02344	2.7
161.04523	0.6
163.03920	6.3
163.07550	7.1
164.04697	3.3
169.01321	1.3
173.02341	2.9
174.03127	1.3
175.00276	0.8
175.03922	1.4
176.01093	0.6
179.07069	0.5
183.04469	0.8
187.03906	5.7
190.02625	3.1
191.03366	1.6
191.05310	0.8
200.04648	0.9
201.01886	4.2
201.05533	2.5
205.04994	4.5
206.05518	0.5
223.06041	4.3
227.03372	2.6
249.05510	1.0
250.11209	0.5
261.05356	0.5
265.07251	1.1
277.05005	2.7
278.05777	0.4
293.12399	20.5
294.05273	0.7
294.12546	0.9
295.06079	21.3
296.06454	1.5
319.06033	0.8
325.03458	0.8
336.06793	0.4
336.11508	0.5
337.07159	100.0
338.07507	11.5
338.11606	0.6
382.79031	0.5
457.17188	0.9
499.18027	11.2
500.18182	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	498.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95724	0.3
54.47044	0.3
59.01251	1.1
61.98703	100.0
65.99167	0.3
69.03333	0.3
69.18747	3.0
71.01285	0.7
71.04931	0.3
83.01279	0.4
87.79868	0.3
89.02316	0.3
93.03363	1.2
95.01227	0.3
95.04913	0.3
96.95937	0.3
98.20593	0.7
99.77781	0.2
101.02350	0.6
108.68241	0.3
109.02827	2.0
111.00771	0.3
111.08029	0.3
119.04927	0.5
119.13153	0.3
120.24830	0.3
123.04402	1.8
124.01643	0.6
125.02349	4.3
126.02691	1.1
133.02887	0.5
145.02895	1.1
147.04378	0.4
147.65535	0.3
149.99489	0.7
151.00150	0.3
151.03917	1.3
161.02286	0.6
163.03934	0.4
167.03514	0.3
168.00591	0.9
169.01344	4.2
170.01706	1.4
175.03928	0.5
177.01842	3.0
179.03558	0.3
189.01869	6.1
189.03438	0.5
190.02573	2.4
191.03424	1.3
193.05092	0.3
203.03403	0.7
205.05109	0.5
216.00613	0.9
217.01381	5.0
218.01978	0.6
219.02954	1.8
231.02942	1.6
271.06122	0.7
283.06235	0.4
289.07352	0.8
311.05807	1.1
325.04666	0.4
341.06631	16.1
342.06995	1.6
435.10822	17.8
436.11276	2.7
498.16928	3.4
499.17859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1193
Annotation	Ericamycin
Peak:m/z	Relative Intensity
59.01234	2.2
60.14062	0.9
61.98684	1.8
63.27793	1.0
81.82120	0.9
91.92936	1.0
117.03301	1.9
161.02339	21.5
174.03218	1.0
189.01834	9.4
190.02252	3.0
191.52342	0.9
209.11761	1.5
216.34015	1.1
242.81299	1.0
276.06567	1.3
289.07330	1.1
294.11569	1.4
301.07452	1.1
308.09296	1.1
339.23126	1.0
344.03079	2.4
362.08353	1.2
363.08694	1.5
366.07776	1.0
387.09357	1.0
389.06961	1.9
390.07675	2.3
391.08585	2.0
397.07263	1.3
406.11200	2.2
407.08051	1.7
414.07211	1.7
417.06342	7.2
418.07086	3.3
419.08017	1.4
420.04932	2.3
422.10626	1.4
431.07819	1.9
432.08749	5.0
433.09708	1.0
435.07486	3.4
442.09662	1.2
450.09723	6.2
451.09839	1.3
452.11072	1.3
462.09991	2.6
470.12503	1.4
480.10895	13.3
481.11316	2.6
498.11963	100.0
499.12131	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	497.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
56.16153	0.7
56.27907	0.8
57.03320	2.9
57.20076	0.8
59.01249	68.4
61.98701	7.1
71.01250	33.8
71.22396	2.1
72.99194	1.8
73.02815	11.1
74.77000	0.8
78.95775	6.1
79.95651	0.9
83.01254	7.7
83.04900	0.9
83.09827	0.8
85.02814	17.2
87.00762	1.5
89.02318	5.7
93.39787	0.9
95.01261	2.3
97.02805	0.8
99.00745	6.0
101.02316	36.6
111.00723	1.4
113.02325	14.4
120.99525	0.9
123.04407	1.1
125.02361	2.1
129.01892	1.3
131.03400	43.0
143.03329	1.3
152.99509	8.6
159.02901	2.7
161.02367	1.2
161.04449	8.3
167.03456	1.8
167.06995	1.0
218.48103	0.9
305.19681	100.0
306.19998	9.8
335.22244	3.4
349.06519	0.8
349.18887	0.9
354.34906	1.0
373.55557	0.8
414.56107	1.0
437.23880	20.4
438.24277	2.5
453.06134	1.3
479.30063	1.0
497.05121	3.8
497.25037	4.5
498.27145	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	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90667	0.3
55.28709	0.3
57.03329	0.3
59.01258	0.6
61.98713	0.8
67.01779	0.3
69.03318	0.4
69.62212	1.6
71.01254	0.7
85.02827	0.6
86.04520	0.2
93.03349	0.5
95.01250	0.5
95.04903	1.9
96.95876	1.5
97.02831	0.4
98.20576	0.5
107.01269	1.0
108.02089	0.3
109.02813	0.5
112.14284	0.2
113.02361	0.3
115.31502	0.3
118.67504	0.3
121.02817	0.4
122.03627	0.9
123.00800	2.1
123.04406	73.8
124.01582	0.5
124.04745	2.5
125.02341	4.6
127.07507	0.3
134.03667	0.3
137.02341	0.5
139.00267	0.4
149.02284	0.3
151.00288	1.5
151.03873	0.4
153.05476	100.0
154.05806	4.3
155.10699	0.7
168.00554	0.6
169.01346	6.2
169.04926	0.4
181.01210	0.3
181.08626	5.1
189.82109	0.3
190.02600	0.4
199.09764	0.8
205.04945	0.6
211.02409	1.1
223.05977	0.5
271.04504	0.4
297.09698	0.7
313.05554	0.5
315.10846	7.0
316.11340	0.6
331.06830	0.3
335.05371	0.4
377.07642	0.3
445.06934	0.3
497.16452	10.1
498.16745	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.2
55.38198	2.1
57.03328	2.0
59.01249	58.6
61.98694	2.4
71.01252	50.6
71.30189	3.3
72.99173	3.6
73.02828	4.8
75.00764	3.5
83.01292	2.7
85.02827	7.7
87.00758	3.0
87.04391	50.2
89.02319	47.7
95.01280	3.4
101.02326	31.0
107.01207	2.6
111.00739	2.6
113.02324	20.0
119.03401	19.8
124.01564	2.7
125.02345	14.2
131.03398	3.0
133.04977	6.2
135.04419	7.0
139.00281	2.9
139.07596	2.2
139.11183	8.2
141.02898	2.1
143.03412	2.8
151.06007	27.4
161.04449	4.2
162.29294	1.8
166.99742	2.6
168.00577	3.9
169.01308	16.4
175.06097	3.0
179.03453	2.5
179.04198	2.2
179.05545	16.1
183.02937	6.2
201.11263	64.8
202.11639	2.9
215.12921	2.0
225.11296	8.5
243.12332	2.3
295.10370	12.1
313.05588	5.2
313.11392	100.0
314.11804	7.5
316.99417	3.1
333.06027	2.5
373.54410	2.2
497.12631	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58977	0.4
57.03327	0.5
59.01244	1.4
69.03324	0.6
69.50441	2.4
69.50848	0.7
71.01250	3.9
73.02809	1.4
75.00777	0.5
79.01771	0.4
80.02541	0.7
81.03339	1.7
83.01241	0.5
85.02824	4.8
86.03592	0.5
93.03334	1.1
95.01276	2.0
95.04901	8.4
99.00755	0.6
100.79476	0.4
101.02319	2.1
101.44359	0.3
108.02052	57.8
109.02841	45.3
110.03172	1.6
113.02338	2.3
119.08550	2.9
121.02863	0.9
123.00758	1.5
123.04422	1.7
124.01559	0.9
125.02336	2.9
132.26215	0.4
133.02840	0.6
135.00810	0.6
135.04399	0.8
135.92249	0.4
137.02266	0.4
139.00252	1.3
149.99480	1.0
151.03856	1.2
152.01054	69.4
153.01843	25.9
154.02588	1.7
155.10669	2.0
161.04492	0.6
163.03911	1.4
163.07579	1.6
165.01843	1.2
167.31842	0.4
168.00528	1.8
169.01337	0.5
169.05037	2.1
181.08603	2.5
183.10207	0.6
187.57434	0.4
225.03957	0.7
257.23663	0.5
261.51544	0.4
297.06406	0.5
315.07202	14.5
316.07574	1.0
497.16632	100.0
498.16953	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	497.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17210	3.4
59.01254	27.2
61.98690	21.1
68.05807	3.4
71.01237	10.7
73.02820	6.2
77.30355	3.3
89.02303	10.5
101.02326	5.3
123.04459	4.5
131.03358	5.7
132.02072	17.4
133.02809	7.4
134.03622	12.4
135.04428	8.0
135.08051	7.2
145.02869	6.2
154.01355	12.0
156.12581	3.4
158.03639	100.0
159.04434	39.9
160.01579	69.1
161.02333	33.5
161.04488	4.2
167.10681	16.5
171.22542	3.5
175.03928	72.6
176.04234	6.3
179.03503	5.2
190.02539	7.2
193.04955	7.3
201.05537	11.8
202.64680	4.4
213.05524	6.7
293.08829	3.9
323.07626	17.7
329.06479	23.4
337.09274	44.4
362.38651	4.4
497.14001	64.3
497.20386	10.6
497.31625	4.9
498.15164	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	496.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41938	0.5
52.12802	0.5
52.66466	0.5
59.01248	6.4
61.98697	15.0
68.41515	0.6
69.03345	0.6
69.47595	0.5
70.77289	1.5
71.01258	3.5
72.99165	0.7
73.02801	1.9
83.01251	0.9
83.04905	0.7
84.50881	0.6
85.02826	1.2
89.02293	1.7
93.03337	0.7
96.95834	0.6
99.13754	0.6
101.02294	1.7
102.36365	0.5
108.02056	1.4
109.02840	1.4
113.02338	1.2
115.10011	0.6
115.85779	0.5
119.04880	0.6
121.02816	1.1
122.05985	1.7
123.00768	0.6
123.04388	1.1
124.07540	2.0
125.02330	4.7
129.01828	0.6
131.03328	0.7
133.02878	1.0
135.04439	1.5
135.08026	1.0
137.02304	0.9
144.04445	7.1
145.05135	0.6
146.06018	0.8
147.03101	0.9
147.04420	0.7
149.05919	0.7
150.05475	0.8
151.00180	0.6
152.01044	1.1
153.01823	0.9
153.05511	1.6
160.01498	0.7
160.03911	1.5
161.02370	3.9
161.04660	3.1
161.05945	0.6
162.02701	1.7
162.05479	2.1
163.03885	0.6
168.00536	1.5
169.01340	4.4
171.99501	0.6
172.03984	4.1
173.04633	1.9
174.05452	1.2
175.03879	1.5
179.03493	0.6
187.14590	0.7
188.03447	1.7
189.04254	0.9
190.02594	1.4
190.05066	0.7
203.05807	2.9
204.06564	8.0
205.04955	1.9
211.08676	1.2
211.81068	0.5
212.05812	5.1
212.09439	0.7
213.10162	0.8
223.06041	1.0
225.06615	2.5
225.10127	0.7
227.08040	0.8
227.11737	0.8
228.12628	0.7
237.10281	5.2
238.08867	0.8
239.08250	6.2
240.08939	2.4
241.09753	1.7
251.04562	0.8
251.11887	4.6
252.10367	1.0
252.12659	5.7
253.06139	5.5
253.09801	5.3
253.12993	0.9
254.10388	1.8
255.11342	1.8
263.08160	0.7
264.08994	0.7
265.06204	0.8
266.06934	2.9
266.10229	0.6
267.07703	10.1
267.11270	3.5
268.08423	5.1
268.12064	2.7
269.12936	4.5
279.07806	1.3
279.11191	0.9
280.08508	2.5
281.09308	16.6
282.09692	1.7
284.11752	1.0
285.08832	2.6
291.18170	0.7
294.09937	0.9
295.10907	5.1
296.11624	19.9
297.12195	2.6
298.09424	0.9
299.10318	2.7
300.07748	0.8
300.11093	1.8
301.03214	0.8
311.10440	0.9
313.11932	4.8
322.09479	1.5
327.13483	2.5
328.10709	7.8
328.14218	1.6
334.21069	1.0
335.05838	1.4
340.10583	2.6
346.15613	0.8
360.13120	1.6
372.13071	1.7
376.12976	1.2
376.20364	2.2
418.17737	1.4
420.19269	21.0
421.19681	2.7
437.23776	1.6
446.17023	1.5
452.21896	4.6
458.70721	0.7
464.18243	21.4
465.18716	2.6
478.19711	2.4
496.20877	100.0
497.21420	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	496.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.2
61.98701	100.0
64.59177	0.1
71.01266	0.2
71.24792	0.1
79.97673	0.1
80.10191	0.1
95.39924	0.1
98.20635	0.3
139.00131	0.1
163.07634	0.1
173.04530	0.2
176.48117	0.1
217.88889	0.1
229.56465	0.2
267.16177	0.1
381.85208	0.2
496.04993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41938	0.5
52.12802	0.5
52.66466	0.5
59.01248	6.4
61.98697	15.0
68.41515	0.6
69.03345	0.6
69.47595	0.5
70.77289	1.5
71.01258	3.5
72.99165	0.7
73.02801	1.9
83.01251	0.9
83.04905	0.7
84.50881	0.6
85.02826	1.2
89.02293	1.7
93.03337	0.7
96.95834	0.6
99.13754	0.6
101.02294	1.7
102.36365	0.5
108.02056	1.4
109.02840	1.4
113.02338	1.2
115.10011	0.6
115.85779	0.5
119.04880	0.6
121.02816	1.1
122.05985	1.7
123.00768	0.6
123.04388	1.1
124.07540	2.0
125.02330	4.7
129.01828	0.6
131.03328	0.7
133.02878	1.0
135.04439	1.5
135.08026	1.0
137.02304	0.9
144.04445	7.1
145.05135	0.6
146.06018	0.8
147.03101	0.9
147.04420	0.7
149.05919	0.7
150.05475	0.8
151.00180	0.6
152.01044	1.1
153.01823	0.9
153.05511	1.6
160.01498	0.7
160.03911	1.5
161.02370	3.9
161.04660	3.1
161.05945	0.6
162.02701	1.7
162.05479	2.1
163.03885	0.6
168.00536	1.5
169.01340	4.4
171.99501	0.6
172.03984	4.1
173.04633	1.9
174.05452	1.2
175.03879	1.5
179.03493	0.6
187.14590	0.7
188.03447	1.7
189.04254	0.9
190.02594	1.4
190.05066	0.7
203.05807	2.9
204.06564	8.0
205.04955	1.9
211.08676	1.2
211.81068	0.5
212.05812	5.1
212.09439	0.7
213.10162	0.8
223.06041	1.0
225.06615	2.5
225.10127	0.7
227.08040	0.8
227.11737	0.8
228.12628	0.7
237.10281	5.2
238.08867	0.8
239.08250	6.2
240.08939	2.4
241.09753	1.7
251.04562	0.8
251.11887	4.6
252.10367	1.0
252.12659	5.7
253.06139	5.5
253.09801	5.3
253.12993	0.9
254.10388	1.8
255.11342	1.8
263.08160	0.7
264.08994	0.7
265.06204	0.8
266.06934	2.9
266.10229	0.6
267.07703	10.1
267.11270	3.5
268.08423	5.1
268.12064	2.7
269.12936	4.5
279.07806	1.3
279.11191	0.9
280.08508	2.5
281.09308	16.6
282.09692	1.7
284.11752	1.0
285.08832	2.6
291.18170	0.7
294.09937	0.9
295.10907	5.1
296.11624	19.9
297.12195	2.6
298.09424	0.9
299.10318	2.7
300.07748	0.8
300.11093	1.8
301.03214	0.8
311.10440	0.9
313.11932	4.8
322.09479	1.5
327.13483	2.5
328.10709	7.8
328.14218	1.6
334.21069	1.0
335.05838	1.4
340.10583	2.6
346.15613	0.8
360.13120	1.6
372.13071	1.7
376.12976	1.2
376.20364	2.2
418.17737	1.4
420.19269	21.0
421.19681	2.7
437.23776	1.6
446.17023	1.5
452.21896	4.6
458.70721	0.7
464.18243	21.4
465.18716	2.6
478.19711	2.4
496.20877	100.0
497.21420	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	496.073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64469	1.8
59.01261	9.8
61.98700	21.4
65.98861	1.8
67.11151	2.2
69.91487	9.4
71.01257	5.0
80.64301	2.2
85.02828	4.5
86.30744	2.1
87.54788	1.9
89.02338	2.3
93.75626	2.0
98.20484	3.1
101.02341	3.2
107.01277	2.8
107.87955	1.8
108.02061	2.4
109.02827	4.7
117.19594	2.3
119.03312	2.0
121.02881	3.5
123.00798	2.0
125.02325	7.8
137.99084	1.9
148.01532	2.7
151.00233	17.0
153.01941	2.4
156.01688	1.9
161.02280	2.7
163.00266	6.1
166.05022	2.3
169.01349	6.8
175.03937	2.5
177.01831	2.1
178.99763	5.9
190.02715	2.2
216.00542	3.1
227.03436	2.5
231.99944	4.3
243.02898	7.8
244.00066	3.9
245.04437	2.6
254.02161	2.9
255.02960	18.1
270.99326	3.6
271.02451	46.9
271.99557	6.0
272.02621	4.3
273.00598	2.8
285.00113	2.1
286.98431	4.5
287.01959	5.0
298.98212	2.2
299.99139	7.6
300.02713	94.8
300.99899	4.0
301.03461	57.5
302.03766	4.1
303.01663	4.8
304.66306	2.5
315.01419	6.9
339.15439	2.5
405.04156	1.9
433.07758	100.0
434.08243	10.9
447.05695	8.8
453.06091	2.1
497.05981	3.6
497.16898	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	496.073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64882	2.3
52.01157	2.4
57.77254	2.7
60.21576	2.1
61.33165	2.5
61.98692	8.3
69.70174	15.8
82.57020	2.6
91.55211	2.4
98.19839	2.8
100.89116	2.4
136.34251	2.2
151.00270	9.4
174.16988	2.5
178.99702	4.8
193.99481	2.6
198.05505	2.6
202.62109	2.3
243.02965	5.3
255.02930	11.7
271.02484	32.9
273.03867	3.1
280.23099	3.1
289.04010	2.4
300.02713	74.0
301.03479	65.3
302.03873	6.7
307.77377	2.5
433.07709	100.0
434.07983	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	496.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	1.0
59.01246	4.0
61.98701	2.9
67.51930	0.7
71.01251	3.8
72.99188	0.9
73.02802	1.0
74.98969	0.9
75.00747	1.0
79.95602	24.5
80.96363	0.8
83.01235	0.7
85.02811	1.3
87.00697	0.8
87.29667	0.9
89.02328	1.5
93.03339	1.3
96.95885	100.0
97.95798	0.8
98.95467	1.0
101.02325	3.4
102.01881	1.6
108.02042	1.7
109.02825	2.0
110.97459	1.8
113.02322	1.4
121.02857	1.1
123.00819	0.8
125.02324	3.0
135.04424	1.1
137.02313	1.5
138.05368	0.7
141.95657	2.1
153.01753	0.8
161.02325	1.8
161.04503	1.0
168.00554	1.2
169.01421	1.9
179.05490	0.8
191.05537	1.4
197.04507	1.5
201.11230	0.9
227.25298	0.7
281.73749	0.8
295.09631	0.8
300.99976	1.1
303.01117	1.2
317.02966	1.7
318.03412	3.0
327.12582	1.3
333.05722	1.5
334.19492	1.4
357.13449	2.0
371.15057	1.7
373.75757	1.1
384.14243	1.9
391.73746	0.8
424.08249	1.1
437.09573	1.1
438.09848	2.1
439.10638	2.5
441.08408	1.2
464.09891	5.3
478.11728	8.3
496.12766	46.4
497.11722	4.8
497.17322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01593	0.8
60.05702	0.3
61.98702	0.6
71.01266	0.6
71.36956	0.5
71.37293	0.4
75.08097	0.4
78.95786	1.4
142.82562	0.3
152.99527	1.4
161.02274	0.4
189.01852	0.5
202.71959	0.3
209.11813	1.3
210.12202	0.6
243.06554	0.4
273.00784	0.4
326.88983	0.4
346.04788	0.4
347.05280	0.5
454.21689	0.4
459.10959	0.6
498.97702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50963	0.3
57.03336	0.6
59.01253	2.1
59.93848	0.3
61.98707	1.8
67.01759	0.7
67.02109	0.3
69.03328	0.5
69.38351	1.4
69.38784	1.1
71.01250	1.8
73.02821	0.4
74.98978	0.4
83.04902	0.3
85.02821	0.9
89.02332	0.7
90.32861	0.3
93.03332	5.0
94.03650	0.5
95.01241	0.5
96.95889	1.2
101.02335	0.8
108.02052	21.8
109.02872	0.4
111.04407	0.5
113.02361	0.6
120.99548	0.7
123.00796	0.4
123.04406	11.4
123.05299	0.6
124.01539	0.4
124.04732	0.7
125.02331	1.5
135.04428	0.3
137.02364	3.0
139.00272	0.4
141.09081	0.6
145.02849	0.5
149.02301	1.5
149.06030	0.4
151.00325	0.4
152.01057	47.0
153.01360	2.0
155.03442	0.3
161.02373	0.6
164.67674	0.3
167.03410	100.0
168.00563	1.3
168.03734	4.0
169.01309	0.5
171.04424	0.7
173.04468	14.9
174.04799	0.7
175.00262	0.5
175.03944	0.6
179.03528	0.3
183.10211	0.9
187.03975	0.4
190.02560	0.6
191.05527	2.8
197.11852	0.4
205.05048	0.6
225.11285	0.9
256.16010	0.3
265.06903	0.3
277.08664	3.0
285.19211	0.3
305.41684	0.3
385.06485	0.3
495.18997	7.6
495.31998	0.4
496.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76581	2.2
57.03298	3.7
58.00455	3.1
59.00958	4.1
59.01247	81.9
59.91428	2.1
61.98713	12.8
65.08841	2.3
69.03325	4.7
69.67345	15.4
71.01250	72.5
72.99163	7.4
73.02797	7.8
75.00732	4.2
75.24695	2.3
78.86655	2.2
80.04930	17.3
83.01237	6.0
85.02825	19.6
86.03587	2.7
87.00742	3.5
87.04385	24.4
89.02316	67.3
92.04914	3.5
93.03326	3.1
93.06966	4.0
95.00700	2.7
95.01255	5.9
95.04899	23.7
98.19740	2.5
99.00779	3.1
101.02327	43.5
109.06479	4.4
113.02318	29.9
119.03392	27.8
119.08567	3.5
119.73694	2.4
121.02818	2.4
123.00794	2.6
123.04442	3.0
123.08044	2.3
124.03918	5.0
125.02324	4.3
131.03348	7.8
134.05984	11.1
135.02837	2.6
135.04422	4.6
136.03902	4.7
137.02339	5.0
137.06001	17.6
137.09660	2.8
139.07491	11.7
143.03406	5.5
145.02853	3.9
149.04439	5.0
149.05965	2.6
150.03084	3.3
151.06010	26.9
155.10681	17.6
161.04445	9.3
165.05463	7.1
167.03273	3.0
171.04417	2.9
179.05563	22.6
181.04971	3.1
181.08601	41.1
183.10228	3.3
199.09671	15.2
201.11275	15.1
215.12819	3.6
225.11250	44.9
226.11501	4.7
227.11853	11.5
233.00647	3.2
243.12291	5.9
259.99579	4.9
261.00269	5.4
270.98926	3.8
271.10843	9.1
281.06705	3.6
285.97586	3.1
286.98141	3.6
293.08755	7.3
299.01831	3.0
299.99051	4.5
300.99838	7.0
311.09958	3.2
311.46848	2.7
313.11377	100.0
314.11816	8.1
398.87531	2.4
407.18088	7.4
451.17096	4.3
477.02686	3.9
495.15790	16.1
495.21445	66.8
496.21030	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	495.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36703	0.3
59.01249	4.9
61.98672	0.4
64.05667	0.3
65.28925	0.3
69.30736	0.6
69.31145	2.6
71.01251	2.5
71.38384	0.3
85.02810	0.6
87.00743	0.5
89.02305	2.3
95.01260	0.4
101.02319	1.6
102.39124	0.3
105.29169	0.3
108.02065	0.3
108.04423	2.0
113.02322	0.9
115.58416	0.3
117.18516	0.3
119.03413	0.8
120.99537	100.0
121.54833	0.3
121.99930	1.6
123.00765	0.3
123.04413	1.2
136.07594	3.0
138.05510	0.5
145.02838	2.0
145.52596	0.3
147.04413	0.6
149.02380	0.4
150.03116	0.6
151.03886	0.3
162.03085	0.3
162.05548	1.1
163.03886	0.3
165.05490	0.8
177.01874	0.4
177.05389	0.7
178.00865	1.0
181.03172	1.0
189.01886	0.6
193.03246	1.5
195.06567	0.8
211.04263	4.6
227.11867	0.3
242.07004	0.6
243.11287	0.4
244.97353	0.3
253.09784	0.8
256.08441	0.4
270.10117	0.5
271.10873	22.3
272.11212	2.0
299.05994	1.3
341.06683	0.8
433.16324	0.4
451.17691	0.4
456.47208	0.4
495.15918	1.1
496.16425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21948	1.0
52.87462	1.4
57.03315	3.7
59.01252	16.9
61.98698	81.1
69.03311	3.6
69.25614	10.4
70.40347	1.1
71.01250	42.9
71.04886	1.2
72.99155	1.5
73.02816	12.0
74.98975	1.5
80.02547	3.1
83.01246	5.8
83.04890	1.5
85.02823	25.4
86.03609	1.8
87.00740	3.3
87.04403	2.0
89.02320	5.5
93.03332	10.2
95.01254	3.8
95.04893	54.9
95.60076	1.1
96.05228	1.3
97.02811	2.0
98.01666	1.2
99.00743	6.1
99.04372	4.0
101.02316	22.2
106.04108	1.4
107.04905	45.4
107.05641	2.3
108.02045	8.8
108.05235	1.6
109.02824	13.0
113.02324	17.1
113.05969	1.3
117.03322	2.5
119.03345	2.1
119.04922	3.4
119.08543	18.2
120.99512	2.6
121.02816	3.3
122.03617	31.1
123.00751	2.1
123.03548	2.5
123.04407	44.0
124.04739	1.3
125.02305	7.4
131.03427	2.2
133.02834	1.7
133.55783	1.1
134.03622	1.2
135.04393	4.2
136.98955	1.4
137.02325	15.6
139.11156	12.9
141.09045	1.0
143.03365	3.7
145.02849	12.2
148.05147	1.6
149.02333	2.7
149.06006	2.5
151.03900	32.4
151.11227	1.2
152.01019	4.6
152.04295	2.0
153.01791	2.4
155.10667	9.7
159.02933	2.7
161.02338	3.0
161.04462	34.2
161.05827	1.8
163.03900	3.4
163.07529	8.4
165.05486	2.7
167.03398	3.4
167.07014	1.1
169.01314	3.5
175.03850	2.3
179.03372	2.0
181.08609	100.0
182.08940	6.4
183.10175	55.4
184.10591	2.7
187.07535	3.4
189.05280	1.5
191.03300	1.4
191.05499	3.4
199.09729	7.0
205.05093	1.5
209.04436	1.1
227.03395	2.0
228.03922	1.7
229.01433	1.7
255.02928	3.0
256.03384	2.6
257.08289	1.4
274.22742	1.3
284.03326	2.8
285.03690	5.1
285.09787	2.9
286.04227	3.4
299.99060	4.1
300.99902	18.2
301.03220	1.4
305.22717	1.4
313.09357	1.6
337.81891	1.3
341.06720	1.3
403.33682	1.3
417.66010	1.3
432.10223	9.8
435.25809	4.9
446.48157	1.5
451.15836	3.7
457.16782	1.7
495.18158	17.6
495.30475	3.0
496.19162	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	495.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99023	0.4
57.03323	2.7
59.01233	2.6
61.98693	1.5
65.00169	0.6
67.56656	0.4
67.57092	0.3
69.37689	3.4
71.01253	5.1
72.99178	0.6
73.02817	1.1
76.32674	0.4
83.01245	1.0
85.02809	2.4
89.02330	0.9
93.03354	0.5
95.01249	0.7
99.00748	1.2
99.04388	0.8
101.02347	2.7
107.01289	0.5
107.04901	0.7
108.02052	1.8
109.02831	2.5
109.03522	0.5
113.02332	2.6
120.99539	100.0
121.99866	1.0
122.03619	4.0
123.00779	1.3
123.04404	15.6
125.02345	1.6
133.02852	0.5
135.04410	0.8
137.02322	1.9
139.00270	0.8
145.02837	0.9
149.02386	1.7
149.06023	0.6
151.00291	1.3
153.01743	0.4
154.99747	1.4
161.02345	0.5
161.04468	3.7
163.03926	0.5
165.01839	0.5
166.99812	1.2
169.01341	0.7
169.26875	0.4
173.04471	1.4
175.03915	0.7
177.01854	1.4
178.99734	1.2
183.10175	8.1
187.03926	0.7
189.01964	0.5
191.03435	0.5
193.01289	0.5
194.99310	0.7
202.99725	0.5
205.01315	0.6
211.04294	0.6
215.03577	0.9
221.40097	0.4
229.01474	0.6
231.02934	1.0
243.02864	0.6
255.02982	0.5
259.02390	1.2
261.04056	0.6
271.02548	0.8
275.01883	0.7
285.09821	0.5
287.01990	2.4
300.02811	1.1
301.03580	1.2
303.01376	0.5
305.03235	0.8
315.01440	1.3
327.13681	0.5
331.00922	1.3
339.07001	0.5
341.06552	0.5
348.66019	0.5
359.06232	1.5
421.07410	0.6
433.07861	1.7
477.06757	0.5
495.07727	1.2
495.12061	0.7
495.18488	6.2
496.19189	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	495.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27229	1.0
54.76558	0.9
59.01226	1.0
61.98689	1.6
69.26004	9.4
78.21437	0.9
81.03317	1.2
84.48686	0.9
108.02069	3.1
109.02843	17.0
117.03359	1.9
119.04916	1.6
121.02834	2.3
122.03609	1.6
123.00787	7.3
123.04403	17.5
124.01581	1.1
125.02370	1.5
133.02873	3.4
135.04393	1.9
137.02335	2.3
138.03137	9.9
145.02814	3.0
147.04399	4.0
149.02357	2.4
150.03108	1.8
151.03947	6.4
152.01082	1.4
153.05498	5.8
159.04465	2.4
161.02356	3.5
161.05991	1.3
162.03046	1.2
163.03946	1.1
165.01880	1.2
167.03412	3.7
170.05034	0.9
175.03867	1.6
176.01070	1.9
177.01866	28.3
179.03519	1.4
187.03918	3.0
189.01859	50.3
190.02626	14.7
191.03401	10.6
203.03432	6.7
203.06979	1.1
205.05022	4.2
216.00566	8.8
217.01366	35.8
218.02054	4.7
219.02988	11.1
231.02986	12.5
232.03703	1.8
271.06107	3.2
281.04599	5.2
289.07230	6.6
297.07733	3.3
317.02066	1.4
323.05667	1.4
332.04373	2.3
341.06647	100.0
342.07065	9.3
355.08273	10.3
356.08969	1.1
371.07855	4.7
495.13043	36.5
495.21152	1.6
496.13190	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	5.8
59.01252	10.0
61.32220	1.0
61.98703	10.6
69.03323	1.8
69.98825	4.5
70.77274	1.0
71.01259	7.8
73.02808	3.0
81.03332	3.6
83.01256	5.5
85.02810	4.0
87.00730	1.9
89.02299	2.3
92.71285	1.0
93.03336	2.6
95.01246	1.0
95.04890	6.9
97.02845	7.1
98.20451	1.5
99.00719	1.4
99.04354	1.1
101.02328	6.8
107.04886	3.7
108.02074	5.8
109.02834	24.2
111.00780	1.7
113.02334	2.6
115.05436	1.2
117.03296	1.2
119.01268	2.1
119.04942	2.2
121.02842	6.3
122.03640	3.4
123.00767	1.5
123.04414	27.3
125.02332	33.2
131.03377	3.3
133.02831	3.0
135.04385	3.8
136.98938	1.2
137.02339	26.5
139.03932	2.5
139.11163	3.0
145.02831	7.9
146.03625	1.7
147.04407	1.8
149.02344	12.7
150.03038	1.7
151.03888	8.2
152.01076	4.1
153.01833	1.9
158.03629	6.5
159.04419	10.0
160.01549	1.8
160.05209	2.2
161.02325	5.1
161.04430	4.5
161.05966	5.1
162.02945	3.3
163.02698	1.2
163.03883	3.3
164.01024	4.4
164.04630	2.8
165.01831	38.1
165.09149	6.5
167.03409	41.7
173.02379	3.0
173.05980	1.2
174.03123	3.2
175.00308	7.3
175.03874	8.9
177.01820	3.9
178.99785	1.2
179.03435	5.7
181.08588	3.4
183.10190	3.5
185.05951	2.1
187.03920	6.1
188.04668	3.6
188.72171	1.1
189.01843	3.3
190.02650	19.2
191.03380	3.6
193.01321	2.0
193.04956	1.9
201.05496	1.4
202.06329	3.0
203.07088	13.1
205.05002	28.0
206.05188	1.1
208.03690	1.5
211.03865	1.4
211.13220	1.4
217.01439	1.4
221.08153	2.9
223.06038	8.9
227.07036	2.1
229.05023	1.1
231.02943	1.4
245.08199	14.8
253.04921	1.7
259.05569	1.3
271.02402	1.7
271.06140	6.1
272.02759	1.6
289.07178	100.0
290.07465	5.9
303.18063	6.3
310.39307	1.2
314.03705	1.6
315.01315	2.2
315.04523	1.9
316.01816	1.6
317.01883	3.7
327.21680	2.2
329.10211	6.6
331.04428	1.9
332.03891	2.0
332.07040	3.4
333.08240	5.1
333.13284	1.1
341.06653	4.6
345.09921	2.5
352.91345	1.2
355.08194	1.5
357.44031	1.2
363.23843	2.4
392.12897	1.9
407.15408	4.0
408.29276	1.1
435.22211	2.1
451.13788	1.4
464.17996	1.5
494.21301	1.2
495.10846	9.1
495.19165	6.0
496.19147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1163
Annotation	tarocin A1
Peak:m/z	Relative Intensity
51.91460	0.3
57.03307	0.7
59.01249	4.5
61.98708	0.4
65.00195	0.7
67.01752	1.1
68.99691	1.0
69.03316	1.1
69.24554	0.9
69.24974	2.6
71.01250	6.5
72.99193	0.8
73.02818	1.3
75.00759	0.7
79.01775	0.9
80.36958	0.3
81.03324	1.7
83.01246	2.3
85.02820	4.7
87.00761	1.1
89.02324	1.6
93.03336	1.4
95.01258	3.5
96.99200	0.4
97.02822	1.1
98.20600	0.7
99.00737	1.1
99.86000	0.3
101.02324	3.6
107.01264	4.4
108.02050	81.9
109.02852	30.2
109.03625	0.8
110.00000	0.6
110.03185	1.2
111.00749	3.2
112.98733	0.6
113.02319	2.7
119.03409	0.4
119.04897	0.4
121.02851	4.5
122.99920	0.7
123.00771	8.8
123.04399	1.4
124.01590	1.8
125.02300	2.8
125.99482	0.5
127.00262	1.8
133.02867	0.6
135.00769	2.4
135.04396	0.6
136.98695	2.7
137.02341	6.3
137.99486	0.6
138.03107	1.2
139.00272	5.0
139.03893	4.7
140.01079	0.6
141.01807	0.7
147.04410	0.4
149.02335	0.7
151.00285	1.3
151.03900	0.9
152.01053	78.8
153.01843	24.0
153.05475	3.9
154.02435	1.2
154.99762	0.5
155.03406	1.3
161.02377	0.7
161.04416	0.6
163.00252	0.6
163.03947	1.0
165.01863	1.9
166.02586	0.8
166.99777	2.6
167.03403	1.6
168.00581	3.6
168.33833	0.4
169.01376	1.7
173.96799	0.4
177.01826	0.6
178.99832	1.1
179.03273	0.4
181.01369	3.5
181.05042	0.4
182.02126	6.8
183.02905	17.1
183.10208	0.5
184.03282	0.9
185.11835	0.4
192.97699	0.5
193.01283	0.6
194.02039	0.4
194.99184	0.6
195.02899	0.6
196.03682	0.9
197.04482	9.2
207.02916	0.6
207.15666	0.3
207.99998	0.6
209.00911	0.5
211.02348	0.4
215.03487	0.7
218.05188	0.4
225.03986	2.0
228.80054	0.4
239.05638	0.5
243.02866	0.4
251.11378	0.7
251.84589	0.4
271.02466	0.9
273.03766	0.4
297.06107	0.8
301.03397	1.5
311.07730	1.6
312.04980	0.9
315.07181	5.2
317.02878	3.0
318.03235	3.5
319.03534	6.7
320.03900	0.5
326.06421	1.5
327.07208	13.4
328.07303	0.8
341.08817	3.3
369.04858	0.4
396.13824	0.4
436.10001	0.9
448.06949	0.5
451.12482	6.1
452.12674	0.8
463.08722	4.4
464.09387	0.7
480.09235	0.5
495.11444	100.0
496.11780	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	495.0776
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
50.32737	0.9
57.03303	1.5
58.14524	0.9
59.01007	0.9
59.01247	12.7
61.98682	2.0
63.02246	3.0
63.38472	0.9
64.37193	0.8
65.00181	8.6
65.03810	0.8
67.01732	2.3
68.86054	0.9
68.99670	1.9
69.29536	7.5
71.01248	8.3
72.99178	1.2
73.02786	3.4
79.01755	1.1
83.01239	4.1
85.02798	3.8
87.00736	2.0
89.02294	3.9
92.99645	1.0
93.03310	1.8
95.01253	6.4
96.99189	1.2
97.02866	2.2
99.00737	2.7
101.02315	6.1
101.03796	1.0
103.13647	1.0
106.00496	4.7
107.01274	9.9
108.02016	3.6
109.02824	18.3
109.99948	2.3
111.00731	12.9
113.02310	2.8
117.03323	1.1
119.03400	1.0
120.58117	1.3
120.99207	1.6
121.02808	3.7
123.00751	11.6
124.01508	2.7
124.98648	2.6
125.02296	7.2
133.02849	4.4
133.99959	1.2
134.03520	1.4
135.00708	3.0
135.04379	2.3
136.98645	3.1
137.02267	3.5
137.99426	1.3
139.00272	10.5
139.03853	2.4
140.01041	1.0
141.01773	3.3
143.04889	3.3
145.02785	3.3
147.00679	1.1
147.04376	2.8
148.01532	2.2
148.98683	1.9
149.02328	5.0
149.99521	7.4
150.03032	1.2
151.00255	22.9
151.03839	2.2
152.01070	8.9
153.01828	9.6
153.99120	1.3
154.99741	3.7
155.04808	1.0
155.10765	1.0
159.04391	7.5
161.02303	8.4
161.04428	3.3
163.00218	3.6
163.03877	3.2
164.00970	1.6
164.98189	2.4
165.01808	3.7
165.98935	2.8
166.99727	4.8
168.00476	4.5
169.01259	4.4
171.04393	5.2
173.02351	5.4
174.01701	1.0
174.03026	2.2
175.03896	12.7
176.01015	1.9
177.01852	4.7
177.99011	8.9
178.98215	1.6
178.99767	32.1
179.03242	1.5
180.00322	3.0
181.01233	1.1
181.98425	1.5
183.02888	1.3
185.02376	1.7
185.11652	1.1
186.03049	1.5
187.03917	10.3
189.01842	7.7
189.05356	1.3
190.02531	2.1
190.99739	2.0
191.03326	3.5
192.00494	3.4
193.01251	3.3
194.99252	3.8
195.06433	1.8
197.02292	2.2
199.03957	7.6
199.09621	0.9
201.01843	4.3
202.02544	3.5
203.03407	15.4
204.04053	3.1
204.97632	2.5
205.01295	2.6
205.05016	1.3
206.01984	1.1
206.99228	2.5
207.02864	2.5
209.00713	2.8
213.01813	3.7
214.02698	2.3
215.03387	10.9
216.04007	1.8
217.01282	3.7
217.04956	1.7
218.01979	1.2
219.02953	4.7
222.98721	2.4
227.03378	3.8
229.01306	3.3
230.02042	3.4
231.02893	11.2
232.03685	15.9
233.00847	2.0
233.04446	8.6
241.01347	2.6
242.02071	2.8
243.02914	13.1
244.03351	1.5
245.00850	4.5
245.04399	2.7
246.01411	2.1
247.02298	2.8
251.11261	2.9
257.00821	4.1
258.01688	4.6
259.02420	12.3
260.03040	4.2
261.03885	3.9
269.00842	2.6
271.02423	21.8
272.02725	1.9
272.09360	1.2
275.01956	1.9
286.01071	4.6
287.01932	42.5
288.02634	9.6
289.03549	6.2
297.00357	5.7
299.01910	8.1
300.02206	2.1
301.03467	2.1
303.01248	3.1
304.01947	2.9
305.02866	2.1
314.00476	1.9
315.01440	100.0
316.01746	9.3
317.02753	2.4
332.01614	16.2
333.02438	12.6
333.19058	2.5
336.40958	1.0
343.06628	1.6
355.06586	3.7
358.10706	0.9
359.06079	4.1
395.05161	1.3
395.09805	17.4
423.09167	3.5
451.08578	3.4
462.07913	2.4
467.08072	1.9
477.06677	7.8
495.07553	67.8
495.23657	3.1
496.07693	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	495.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.1
71.01253	9.2
71.12078	3.9
71.12414	2.3
75.00754	4.2
79.95598	2.6
85.02813	4.9
87.00727	2.5
93.03345	4.5
95.01246	4.4
101.02285	3.4
109.02837	6.2
113.02327	2.4
117.03352	3.0
119.04897	10.0
121.02843	5.3
125.02338	12.9
131.01300	2.1
133.02849	7.9
135.02840	4.0
135.04427	9.0
145.02852	7.5
147.04405	4.9
149.02390	2.1
153.02103	10.0
156.51289	2.4
161.02357	19.4
163.00298	3.6
163.03886	25.3
169.01320	20.6
173.02361	9.2
177.01874	3.5
187.00215	2.6
187.03912	3.2
189.01859	31.5
190.02577	6.4
190.99803	4.4
191.03432	47.2
191.05510	6.4
192.03751	3.0
193.01315	3.4
201.01654	2.6
205.01395	3.2
217.01382	17.6
219.02988	2.1
231.02890	3.3
233.00832	4.8
235.02394	18.1
245.00839	4.4
257.04730	2.6
259.99451	3.0
261.00357	45.9
288.99887	5.9
303.01407	9.7
313.05676	4.3
314.98172	3.6
319.04327	4.5
343.06583	7.3
363.03476	13.1
379.06750	10.2
423.05667	100.0
424.05933	12.8
435.09808	2.5
451.05069	8.0
477.10233	3.9
495.11835	12.5
521.56421	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	494.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77538	0.5
57.03318	0.6
59.01245	4.8
61.98702	100.0
66.35055	0.5
66.61523	0.4
69.03330	0.5
69.26319	2.1
69.26739	2.6
71.01257	5.7
73.02820	1.4
83.01232	0.7
85.02829	2.6
86.87387	0.5
89.02325	1.5
93.03348	1.9
95.01268	0.6
95.04904	4.3
98.20307	2.1
99.00757	1.1
101.02311	3.4
103.95592	0.6
107.04911	4.5
108.02052	3.0
109.02843	2.3
113.02351	2.4
119.08551	1.2
121.02846	0.6
121.61258	0.5
122.03653	1.8
123.04408	3.1
125.02354	2.2
131.03365	0.7
134.02466	0.5
135.04471	0.6
137.02332	3.0
139.11215	0.6
141.09193	0.5
145.02870	1.3
148.05247	0.4
149.02370	1.0
150.03148	2.6
151.00317	0.6
151.03929	2.8
152.01123	2.5
153.01862	1.1
155.10712	1.1
161.02357	1.0
161.04456	4.3
163.03865	0.9
163.07565	1.0
165.05478	2.5
169.01343	0.9
173.04535	0.6
175.03886	0.6
181.08611	10.4
181.10034	0.7
183.10152	4.4
187.07520	0.6
191.05498	0.6
227.03436	4.0
229.01472	0.6
255.02988	7.1
256.03674	1.1
257.04694	0.6
284.03250	8.5
285.03973	8.2
299.99072	0.7
300.99872	4.2
301.16467	1.3
413.08572	0.6
431.09793	17.8
432.10297	2.1
451.16110	0.7
494.21417	1.2
495.15079	1.5
495.19083	0.8
515.35577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.5
58.00471	2.2
58.86328	1.6
59.00962	2.2
59.01254	46.1
61.98700	42.1
69.18909	6.4
69.19344	12.7
71.01251	48.9
72.99168	2.7
73.02818	16.5
83.01259	7.0
85.02824	23.8
85.84713	1.6
89.02320	16.9
93.03337	7.6
95.01270	5.2
95.85329	1.8
99.00745	9.1
101.02318	35.6
107.04911	12.7
108.02032	2.8
109.02821	6.2
113.02325	23.0
119.03385	4.8
119.04886	1.8
121.02834	2.2
121.06450	4.2
123.04362	3.1
125.02347	4.0
131.03400	60.9
133.02859	2.2
135.04437	2.8
136.99083	1.8
143.03377	4.3
145.02876	2.8
149.02328	2.4
151.00220	2.7
151.03908	3.7
153.01793	2.0
153.09114	3.4
159.02972	3.7
161.01039	1.6
161.02339	8.2
161.04472	23.5
163.03850	2.1
165.01813	2.1
165.05484	67.7
166.05870	3.1
173.04465	4.2
175.04001	3.1
177.01816	4.5
183.10144	2.1
189.01851	3.0
191.03517	2.0
191.05505	5.9
217.01291	3.3
271.19040	3.9
280.03708	2.2
280.31003	1.8
287.01932	6.2
315.01370	6.4
315.18112	100.0
316.02774	3.5
316.18463	7.0
316.53217	2.4
317.03040	2.1
319.96356	1.9
324.53107	3.3
325.53793	1.8
330.03745	9.2
331.04919	2.4
341.06754	5.7
375.06018	3.9
375.27548	12.8
397.05795	4.4
397.56073	2.2
406.06064	6.1
421.15576	1.8
433.24652	2.8
447.22281	38.2
448.22580	4.9
450.13718	2.9
463.17578	3.0
475.18207	2.8
493.09656	5.9
493.21777	10.6
493.29584	5.1
494.12308	3.2
494.21039	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	493.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03319	2.1
58.00483	0.5
59.01249	100.0
60.01595	1.1
61.98701	1.6
69.03329	1.2
71.00849	0.8
71.01250	15.3
71.51054	0.7
72.99177	1.6
73.02822	6.0
73.50382	0.4
74.98972	8.8
75.00741	1.6
79.58958	0.4
79.95594	0.4
83.01257	3.1
85.02823	7.0
87.00748	1.3
88.41656	0.4
89.02321	4.3
93.03336	0.9
95.01276	1.1
95.04885	2.5
96.95904	0.8
97.02823	0.5
97.06475	0.6
98.02374	0.5
99.00753	3.2
99.04390	1.9
101.02316	13.8
107.04922	1.5
109.02840	1.2
111.00771	0.6
113.02312	5.0
119.03374	0.9
119.04876	0.6
120.99552	5.0
121.02814	0.7
121.06477	0.5
123.00768	1.6
123.04375	0.7
124.01591	0.8
125.02332	4.7
129.01816	0.7
131.03450	0.7
133.02818	0.8
134.03674	0.4
135.02904	1.3
136.99052	8.4
137.02342	1.3
137.99390	0.6
139.11176	1.9
143.03400	0.9
145.02890	0.7
147.04440	0.4
149.02310	0.7
149.04448	0.7
150.03116	2.7
151.00278	0.9
152.12112	0.4
159.02850	1.3
160.01584	0.5
161.02356	0.7
161.04442	6.5
163.03856	0.5
164.04686	1.2
165.01924	0.9
165.05458	3.4
169.01335	2.9
173.22482	0.4
174.03134	0.5
175.03935	1.9
179.03479	0.5
179.07019	0.8
181.08640	5.2
182.02206	0.6
182.09015	0.5
183.10179	8.6
189.01863	0.9
189.12799	1.4
190.02574	0.9
191.05490	0.8
197.04520	1.6
205.01402	0.6
205.05092	0.9
205.07095	0.9
207.13811	2.4
209.11775	6.6
211.04224	0.8
212.08392	0.6
220.99104	1.4
223.08174	8.1
225.14932	6.9
227.12830	28.6
228.13167	1.1
265.09348	3.3
267.10815	3.4
269.13980	1.5
287.14929	1.3
299.99017	0.6
300.99927	0.7
313.05707	1.2
316.01801	0.8
317.02985	1.5
327.12680	0.6
331.11780	1.0
341.08618	1.0
367.10046	0.6
433.24402	2.3
449.14563	1.1
475.21848	9.7
476.22241	1.4
493.13959	3.2
493.22913	76.6
494.23309	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	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77748	1.9
55.01758	7.5
57.03334	9.4
58.00470	4.8
58.73444	1.7
59.01251	87.7
61.98690	3.1
65.00188	3.3
66.77121	1.9
67.01747	1.8
68.01294	2.0
69.03326	2.0
69.63171	1.9
71.01253	100.0
71.50337	2.9
72.99182	10.2
73.02812	20.4
75.00746	18.3
77.88376	2.1
79.95601	11.4
81.03329	3.2
83.01258	15.8
85.02825	29.5
87.00749	11.6
87.04375	5.1
89.02311	57.5
93.03336	14.2
95.01247	4.6
96.95890	54.3
97.02825	4.7
99.00754	9.7
101.02320	69.3
107.01269	15.0
109.02818	4.2
111.00761	7.2
113.02326	33.9
119.03391	25.0
119.04795	1.8
120.99539	1.9
121.02850	7.1
123.00807	7.6
123.04371	2.5
125.02346	52.2
125.05948	2.0
126.91088	1.9
129.01782	2.5
131.03378	6.2
133.02843	14.0
133.04984	3.2
134.03670	3.5
135.02867	3.4
135.04404	53.9
135.08061	3.1
136.04652	3.0
137.02333	10.9
139.00291	6.3
139.03911	12.0
139.11240	2.7
140.01027	2.7
143.03401	8.8
148.05173	3.3
149.02344	6.0
149.04430	3.6
149.05988	11.1
150.03125	7.6
150.99149	3.3
151.00273	41.2
151.03891	5.4
151.05971	13.8
151.11157	2.5
153.09120	36.1
159.02908	3.6
160.27306	1.9
161.02357	59.8
161.04413	19.3
162.02805	3.1
163.03900	2.7
165.01874	2.9
165.05490	6.5
166.99730	12.2
167.10686	5.3
168.00497	4.2
169.01335	44.6
169.05002	14.3
170.01685	2.1
174.03099	2.8
175.03931	5.4
177.05453	17.5
178.99815	4.6
179.03418	68.9
179.05518	25.2
180.03790	3.0
181.04808	2.6
183.10190	20.1
184.00159	2.2
185.00813	2.2
191.05545	4.0
193.01346	3.8
193.05032	2.6
195.06580	4.8
195.10170	5.6
197.08138	4.2
203.03400	3.2
211.02414	9.1
216.46547	1.9
221.04500	26.3
221.06673	6.7
225.11285	3.4
226.11740	1.9
251.05544	22.0
252.05707	2.5
264.18170	2.0
267.10883	4.7
271.04587	5.9
281.06689	32.3
295.10281	4.5
309.11871	4.2
313.05594	2.6
313.11411	8.6
317.03104	4.9
323.07697	3.8
331.06799	2.5
331.10312	5.7
331.17639	14.9
341.08752	22.4
342.09161	2.1
343.11887	3.6
433.24969	2.4
449.10989	1.9
493.09909	87.7
493.19290	61.8
494.10815	24.2
494.19626	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19600	2.1
55.01760	3.5
56.61200	2.5
57.03305	7.3
58.00455	4.4
59.01252	100.0
60.81182	2.1
61.98692	2.4
65.00189	2.3
65.78779	2.1
67.77996	2.0
69.03320	6.8
71.01254	84.4
71.50497	3.3
72.99178	10.0
73.02817	39.0
75.00745	10.5
81.03386	3.1
83.01260	8.2
85.02818	24.5
87.00742	17.0
89.02312	54.6
89.02846	4.1
93.03328	6.3
95.01281	6.4
95.04894	6.6
96.95888	5.6
97.02864	2.3
99.00753	9.9
101.01633	2.8
101.02321	54.6
105.01787	2.0
107.01284	6.4
107.04952	2.2
109.02837	8.2
111.00761	5.7
113.02334	28.3
115.00224	4.1
117.01826	2.1
119.03392	27.4
121.02865	3.5
121.10118	5.5
123.00761	8.4
123.08040	2.8
124.01556	3.7
125.02335	53.4
127.07563	11.0
131.03342	3.7
133.02835	5.1
135.02882	4.9
135.04413	27.3
137.02328	13.8
137.03395	5.0
137.06050	11.7
139.00262	6.4
139.11137	2.9
143.03368	6.8
149.02324	4.5
151.00287	20.0
151.03906	4.5
153.01793	2.7
155.07100	5.2
159.04329	2.9
161.02370	17.4
161.04477	7.7
163.03976	3.0
165.01837	6.4
165.09090	3.1
166.02480	2.5
166.99696	4.9
168.00528	9.1
169.01344	68.4
170.01682	3.6
173.02214	3.2
174.02959	2.5
175.03957	5.6
177.01811	4.1
178.99808	12.0
179.03394	18.1
179.05533	9.6
181.05011	3.7
181.08681	5.6
183.10172	25.5
193.01282	3.5
197.11717	14.1
201.01903	3.5
203.03435	6.9
211.02382	10.6
215.03592	3.7
216.00346	2.4
217.01338	5.0
218.02138	2.6
225.09241	3.6
225.11267	25.1
227.03436	3.6
230.02005	2.4
231.02914	2.8
243.02913	3.5
244.00122	2.6
245.00946	3.7
259.02432	3.4
267.10791	5.3
271.04727	11.7
273.00378	2.9
274.01096	3.2
275.01813	5.5
281.06729	2.2
287.01929	8.3
298.98151	3.4
299.99130	18.2
300.99826	10.2
303.01633	3.1
309.11826	4.9
312.99707	4.2
313.05350	12.6
314.05411	3.2
315.05023	3.4
316.05469	2.9
317.02802	36.5
317.05539	3.9
318.03268	3.9
329.99905	4.0
331.00949	10.3
331.06561	47.7
331.17557	4.8
332.02094	3.7
332.06738	5.4
345.15546	54.3
346.16104	4.1
433.04086	15.0
433.24469	9.7
449.10562	5.3
493.08792	16.5
493.18527	81.7
494.05096	5.0
494.19501	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	493.1351
Annotation	Ericifolin
Peak:m/z	Relative Intensity
53.16103	0.5
59.01250	9.1
63.02251	0.8
64.42918	0.4
65.00179	1.1
67.01758	0.6
68.39440	0.4
69.03325	0.6
71.01251	7.8
72.99162	0.7
73.02801	1.3
79.01763	1.2
81.03298	0.8
83.01225	2.4
85.02822	2.9
87.00732	0.7
89.02319	5.1
95.01233	1.4
95.04881	1.3
96.95798	0.4
97.02804	1.0
101.02310	5.2
107.01270	6.5
109.02838	2.8
111.00727	1.0
113.02299	3.4
119.03388	2.8
122.99917	0.7
123.00762	9.3
124.01594	1.1
125.02336	16.9
127.00269	0.6
133.05580	0.5
135.04367	0.9
136.98724	0.6
137.02330	7.3
139.00270	3.8
140.01089	1.1
141.01799	1.1
143.03348	0.5
149.04436	0.5
151.00272	20.0
152.00568	0.5
153.01805	0.7
159.04427	0.5
161.04433	1.4
161.05827	0.5
163.00224	1.1
163.03867	0.6
165.01801	1.0
166.99754	1.0
167.03372	0.5
168.00546	3.4
169.01331	23.1
170.01663	0.9
178.99782	9.3
179.05597	2.3
181.08585	1.5
192.00526	1.1
211.02403	6.5
227.03362	0.9
239.41216	0.4
243.02878	0.6
253.03482	0.6
260.01794	0.5
271.02335	1.1
271.04736	6.0
299.01999	1.1
311.09888	0.5
313.05627	2.6
316.02249	0.7
317.02982	51.7
318.03372	5.0
331.06802	1.3
345.15494	2.7
417.02258	0.5
487.68433	0.5
493.06351	8.9
493.13403	100.0
494.06497	1.3
494.13736	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.4
61.98698	1.0
69.30856	1.1
69.31263	0.3
71.01259	1.0
73.02811	0.4
74.95850	0.1
75.00719	0.2
85.02822	0.3
89.02312	0.3
92.71534	0.2
93.03323	0.2
101.02325	0.6
109.02811	0.3
113.02325	0.3
117.03335	0.2
121.02795	0.2
123.04439	0.2
125.02357	0.3
133.02826	0.3
135.02872	0.4
137.02327	0.3
145.02834	0.4
149.06015	0.2
158.03679	0.4
159.04266	0.2
161.02319	1.1
161.04402	0.3
162.06651	0.2
165.01822	0.2
169.01367	0.2
173.04422	0.2
174.03131	0.3
175.03899	0.8
185.02347	0.3
209.11719	0.3
231.08095	0.2
245.06178	0.3
257.05865	0.2
258.06653	0.3
259.07605	2.2
260.07953	0.2
261.05563	0.3
261.67249	0.2
269.06348	0.4
270.06985	0.2
274.06052	0.2
275.07089	0.6
285.05551	5.1
285.08594	0.3
286.06271	3.3
287.07120	3.9
287.20169	0.5
288.07434	0.3
289.05106	0.5
290.05850	0.3
301.05035	0.7
302.05579	0.5
303.06616	3.6
304.07120	0.3
306.79538	0.2
312.04138	0.2
313.05035	3.1
314.05838	3.7
315.01602	0.2
315.06119	0.3
329.04492	1.5
330.05203	7.2
331.06076	100.0
332.06436	11.2
373.07083	0.4
377.01892	0.3
493.11084	2.5
493.20746	0.7
493.27637	0.6
494.11737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0985
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
59.01234	12.9
61.12088	2.0
61.98695	5.2
62.28040	2.0
65.00183	3.0
71.01241	7.6
71.74898	2.0
73.02817	3.7
77.74541	2.3
85.02815	3.0
89.02324	3.8
101.02306	4.3
109.02841	5.1
113.02301	2.7
117.03301	2.8
119.04938	16.6
121.02821	2.0
133.02876	14.5
135.04364	4.8
137.02365	4.9
145.02843	6.2
146.03214	2.3
149.02332	4.9
153.01826	9.7
161.02341	39.5
161.73424	2.1
163.00267	2.9
163.03906	12.6
164.01018	2.6
164.98141	2.8
165.01831	15.8
165.98964	3.3
166.02420	3.1
171.04404	2.4
175.00313	3.5
178.99774	6.6
187.03865	3.2
193.01288	7.8
199.03880	3.3
215.03381	10.6
226.02626	6.1
227.03337	4.9
227.16478	5.1
231.02914	4.3
241.05017	2.4
242.02206	7.4
243.02910	8.7
254.02216	3.7
258.01605	2.8
269.04556	5.7
270.01666	7.5
271.02472	31.4
272.02795	2.5
285.04071	19.7
286.04758	2.3
287.01935	35.5
287.05215	2.8
298.01212	2.7
299.01990	3.3
302.03888	2.2
313.03543	40.3
314.03812	4.8
315.01443	58.7
315.04761	3.0
316.01898	11.3
317.05701	5.8
330.03775	70.2
331.04523	51.3
332.04947	5.0
338.76672	2.3
357.08282	2.6
375.27585	21.5
433.84213	2.5
475.08783	2.9
493.09805	100.0
493.20859	24.7
493.29230	6.7
494.10480	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	493.0986
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
55.01742	1.0
57.03318	1.4
57.60192	0.7
58.01007	0.6
59.00961	1.2
59.01249	22.4
61.98690	2.7
68.25238	0.6
69.03313	3.3
71.01254	17.2
71.50815	1.0
72.99171	3.2
73.02819	4.6
74.98956	1.3
75.00742	4.3
81.03320	0.9
83.01250	3.1
83.04908	0.9
83.26749	0.7
84.90905	0.7
85.02822	11.0
87.00741	3.3
87.04398	1.0
89.02310	10.4
93.03333	2.3
95.01260	3.6
95.04925	0.8
97.02814	2.4
99.00739	2.5
99.04392	1.0
101.02328	12.6
103.00320	0.9
107.01266	1.6
109.02821	3.1
111.00769	2.4
113.02303	7.2
115.00224	1.3
117.01863	0.9
117.03344	0.9
119.03384	5.4
120.99538	1.3
121.02826	3.2
121.06467	0.8
121.90940	0.7
123.00771	7.1
123.04353	1.4
124.01545	14.1
125.02333	44.7
126.02679	1.3
129.01817	1.9
131.03374	0.9
133.02853	9.5
134.03590	1.4
135.02866	2.6
135.04413	9.4
136.99077	0.9
137.02335	3.6
139.00259	2.7
139.03850	1.2
139.11201	1.6
143.03383	2.0
145.02863	1.2
149.02332	1.9
149.04408	1.0
149.99484	26.4
150.03117	0.9
151.00284	5.6
151.03903	1.4
152.00937	1.7
153.01820	1.8
159.02789	0.8
159.04396	1.3
161.02350	23.5
161.04376	5.1
162.02748	1.3
163.00250	1.5
165.01917	0.9
165.05478	1.7
165.07568	1.0
166.99742	1.3
167.03415	2.6
168.00545	56.3
169.01335	18.6
173.04449	1.2
174.03127	1.2
174.82312	0.8
175.02467	0.9
175.03918	2.3
177.01753	1.4
178.99789	2.5
179.03447	5.3
179.05431	4.9
181.12297	0.9
183.10164	7.2
187.00410	1.1
187.03899	1.0
189.01775	1.3
193.01331	1.7
194.99268	0.9
197.11678	0.9
199.03957	1.1
203.03397	1.7
205.03395	1.1
215.03419	1.3
217.01387	1.2
221.06621	1.4
222.47009	0.7
225.11259	1.5
227.03526	0.9
229.01326	1.4
230.02065	0.9
231.02991	2.2
239.80676	0.7
243.02875	2.1
249.06055	1.1
259.02490	2.4
268.58521	0.7
269.98096	1.0
270.98465	1.1
271.02063	3.7
271.04953	1.3
271.98627	1.5
285.00323	1.5
285.13226	0.8
286.00977	1.4
287.01950	6.5
287.15082	0.9
295.43350	0.9
297.97519	1.6
298.00858	0.8
298.97873	2.5
299.01495	1.2
299.98105	4.1
300.99948	0.9
301.03348	1.6
303.01370	1.2
309.11813	1.3
312.99918	5.6
313.05673	6.5
314.00162	5.4
315.01144	14.0
316.01883	2.4
317.03003	10.9
318.03418	1.1
323.07660	2.6
325.11633	0.8
327.07050	1.0
327.12839	1.6
328.02271	1.3
329.02499	1.8
330.03586	6.7
331.00507	1.5
331.06796	55.2
331.17435	5.3
332.07224	3.9
341.12329	1.1
433.24286	2.9
449.10681	1.2
475.08279	1.2
478.06473	1.6
493.09702	100.0
493.19720	11.0
494.10239	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	493.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82715	0.7
52.36685	0.7
63.34151	0.7
64.37508	0.7
71.00285	1.6
72.33395	0.8
105.79788	0.7
109.00743	0.7
109.02882	0.8
137.02333	2.9
155.61481	0.7
161.02344	1.3
163.00227	1.1
165.01834	5.4
171.90958	0.8
175.03760	0.7
187.03902	1.0
193.01360	1.7
203.03436	1.4
213.01862	0.8
215.03427	1.6
231.03000	1.3
242.02112	1.2
243.02953	4.3
259.02402	5.6
270.01712	2.0
271.02524	2.5
285.03937	3.8
286.01254	1.0
287.01956	47.8
288.02252	2.9
301.03381	2.0
315.01450	66.9
316.01810	7.9
326.90106	0.8
330.03784	93.0
331.04443	24.6
332.04791	1.3
493.09839	100.0
494.10187	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	493.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64516	3.0
57.88885	2.9
59.01249	25.8
61.67299	2.7
65.00198	13.1
71.01245	18.8
71.38840	5.6
73.02823	5.7
74.38940	2.9
87.25034	3.5
89.02322	5.4
92.06596	3.0
93.03341	16.3
95.01247	4.0
97.02827	11.1
101.02303	6.4
108.02081	4.0
109.02836	25.0
111.00768	3.8
113.02364	5.0
121.02832	5.3
123.00766	8.2
124.01589	4.0
125.02303	8.4
133.02847	33.9
135.04396	4.6
137.02290	4.1
139.00267	10.4
139.03899	6.8
145.02837	7.4
147.04440	4.8
149.02362	8.2
149.99475	6.0
151.00256	4.6
152.01038	5.4
153.01846	14.6
159.04494	3.6
161.02354	100.0
162.02635	4.7
163.00354	6.2
163.03888	4.7
165.01852	98.1
165.98969	4.9
166.02177	5.3
166.99762	5.3
167.03415	9.2
167.18515	3.2
174.03139	9.9
177.01797	3.0
178.99741	3.4
179.03445	3.7
181.01308	6.6
182.02098	3.4
183.02838	6.9
187.03964	10.3
189.01808	4.4
191.03386	3.1
192.00563	6.8
193.01358	66.1
194.01805	4.2
194.99261	9.2
199.03920	5.1
201.01730	4.3
202.02664	11.6
203.03311	5.4
207.03000	5.8
209.11794	4.0
211.02400	4.6
213.01938	6.6
213.05470	14.1
214.02643	10.5
215.03398	16.0
216.04199	3.9
226.02553	4.5
229.01407	5.0
230.02147	6.6
231.02888	9.0
232.03783	4.1
241.01608	3.7
242.02182	13.8
243.02979	9.3
244.03697	11.3
245.04411	4.2
247.06171	5.0
257.04575	7.4
258.01645	8.1
259.02548	11.1
259.06085	10.1
270.01654	6.4
271.02411	19.9
273.03845	8.0
275.05679	14.2
285.04022	14.2
286.01202	11.7
287.01907	22.3
295.24188	2.9
299.01907	17.0
301.03522	30.7
302.04242	19.8
302.07352	3.0
303.01605	5.5
303.05090	25.1
315.01645	6.6
315.04871	4.1
316.02087	3.7
317.02396	3.8
327.07150	4.7
329.03006	79.7
330.03552	12.2
331.00696	4.3
331.04318	4.1
339.07260	5.5
346.03204	10.9
347.03976	13.3
357.08099	6.5
361.22287	3.7
421.11188	3.8
449.10806	9.0
475.08789	5.6
493.09860	26.8
493.20877	76.0
493.28378	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	493.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04464	0.5
56.31028	0.5
56.98838	0.5
57.03281	0.8
59.01254	8.1
63.02266	5.0
65.00193	7.8
69.03316	0.7
69.91226	3.4
71.01254	7.1
72.99197	1.0
73.02834	1.2
73.39677	0.6
79.01778	1.3
81.03336	1.1
83.01253	6.0
85.02837	3.1
87.00761	1.3
89.02319	2.5
95.01272	2.5
97.02814	0.7
98.20546	0.6
99.00744	1.2
101.02294	3.2
107.01272	21.0
108.01572	1.0
109.02831	14.2
110.03178	0.6
111.00764	2.1
113.02328	2.9
119.01289	1.5
119.03426	1.0
123.00760	10.5
124.01532	1.9
125.02338	20.6
131.03477	0.7
133.02850	0.7
135.00775	0.7
135.04431	1.1
136.52094	0.6
136.98708	1.3
137.02341	31.8
138.02675	0.9
139.00285	3.1
140.01042	2.2
141.01868	0.9
143.04936	0.8
149.02327	0.9
151.00278	56.4
152.00638	1.8
153.01840	1.0
153.93141	0.6
155.03310	0.9
159.04382	0.9
161.02373	1.3
161.05972	0.8
163.00275	5.4
164.01003	1.0
165.01826	3.1
168.00552	2.2
169.01332	21.3
171.04395	1.0
175.03894	0.9
178.99782	33.2
179.03304	1.1
179.05498	0.7
180.00121	1.7
183.04395	0.7
189.05403	0.6
189.76634	0.5
190.99821	1.1
191.03542	0.7
192.00572	2.6
193.01315	1.6
193.56361	0.6
199.03954	1.9
203.03458	1.5
211.02429	5.0
215.03418	1.5
217.04938	0.7
223.02493	0.6
227.03418	4.5
243.02925	4.6
245.04443	1.0
255.02965	0.7
261.03986	2.8
271.02206	8.1
271.04694	2.5
272.02734	1.4
287.02005	0.9
289.03366	0.7
299.01947	4.6
300.02570	0.9
313.05643	0.7
316.02151	2.8
317.03003	100.0
318.03326	7.9
380.48035	0.7
493.06250	14.8
493.13498	36.6
494.06445	1.9
494.13824	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	493.0622
Annotation	myricetin 5-O-glucuronide
Peak:m/z	Relative Intensity
57.03341	0.4
59.01245	1.9
63.02261	0.7
65.00191	1.6
66.26818	0.3
67.01760	0.4
69.71758	2.0
71.01248	2.0
72.99177	1.2
73.02810	0.8
75.00739	0.3
77.78155	0.3
79.01778	0.3
83.01254	1.5
85.02821	1.7
85.74607	0.3
87.00752	0.4
89.02314	0.5
93.03305	0.8
95.01259	2.3
99.00743	0.8
101.02320	0.6
103.00233	0.6
107.01267	3.7
108.02071	0.9
109.02832	7.6
109.03525	0.7
109.99982	0.9
111.00777	4.7
113.02342	2.7
115.00223	0.4
121.02847	1.2
123.00765	2.4
123.04401	0.5
124.01572	1.3
125.02338	3.5
133.02824	0.7
135.00793	0.4
136.98701	1.0
137.02339	4.8
139.00270	8.2
139.03928	1.1
140.00742	0.4
143.04933	0.5
147.00801	0.4
147.04482	0.4
149.02339	1.7
151.00276	11.4
151.03859	0.8
152.01093	1.6
153.01823	2.3
155.04878	0.5
159.04478	0.6
161.02382	0.6
161.05888	0.4
163.00293	3.7
164.01007	1.4
164.92245	0.3
164.98228	0.7
165.01826	1.2
165.99013	1.5
166.99780	5.9
169.01337	1.0
171.04443	1.3
174.03099	0.7
175.02432	0.6
175.03859	2.8
177.01866	0.6
178.99783	9.3
180.00357	0.6
183.04425	0.6
185.02286	0.3
187.03880	0.9
189.01912	0.7
189.05501	0.8
190.99803	1.2
191.03244	0.3
192.00584	0.5
193.01329	1.0
193.03485	2.1
193.98227	0.3
194.99252	2.0
197.02271	0.4
199.03918	3.3
200.04483	0.4
201.01869	1.0
201.05569	0.6
202.02829	0.3
203.03413	1.0
205.01309	0.5
206.99275	2.0
208.00032	1.8
211.03845	0.4
213.01907	0.3
215.03455	0.9
216.04190	0.3
217.04977	1.0
219.02983	0.6
225.01790	0.4
226.02560	0.4
227.03467	3.7
228.03903	0.7
229.04903	0.4
230.02052	0.4
231.02919	1.8
242.02057	0.6
243.02989	3.5
244.03458	0.3
245.04573	2.3
255.02950	2.3
259.02347	0.4
261.04010	0.9
271.02478	8.1
272.02811	1.1
273.04111	4.0
275.01880	0.4
287.01883	0.4
289.03433	1.1
299.01926	8.9
300.02402	0.9
316.02307	0.6
317.02997	100.0
318.03314	10.1
449.14941	0.4
481.80222	0.3
493.06146	6.7
493.19614	0.3
494.06384	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	491.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49125	0.5
52.76257	0.5
59.01251	100.0
60.01585	1.3
71.51431	0.8
85.02802	0.5
87.58211	0.5
109.06460	0.5
165.86855	0.4
190.37952	0.5
202.24106	0.4
206.27370	0.5
315.04971	0.9
336.31046	0.6
491.25882	1.5
491.38333	4.7
492.37976	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	492.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78582	0.1
53.96273	0.2
59.01244	0.9
61.59560	0.2
61.98717	0.3
70.51511	0.4
71.01244	0.4
89.02328	0.2
96.95866	0.2
101.02313	0.3
108.02047	8.1
122.44846	0.2
131.03455	0.2
135.02899	0.3
138.01862	100.0
139.02214	3.0
179.03339	0.2
291.68152	0.2
300.99734	0.2
352.67767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42908	0.4
57.03311	0.6
59.01250	1.9
71.01244	0.5
71.50316	0.7
78.95776	14.0
83.04880	0.5
90.05202	0.5
93.03393	0.5
96.96837	0.6
97.06461	0.5
113.09615	2.6
140.01091	3.2
152.99496	1.9
171.00525	1.2
171.10167	0.5
179.14333	1.6
181.12163	0.4
195.13832	16.8
196.03780	2.0
196.14166	1.1
209.11749	1.2
214.04785	5.1
215.05026	0.5
242.11543	0.4
277.21704	13.3
278.22076	1.3
295.22766	100.0
296.23123	9.3
329.04425	0.5
330.04813	0.8
388.08514	0.4
395.99246	0.5
412.11511	0.4
492.27264	28.6
493.27356	4.6
493.33710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
58.13432	0.5
59.01241	4.0
61.98726	0.6
68.40229	0.5
71.01251	0.8
71.50812	0.7
78.95778	31.5
83.04889	0.7
85.02814	0.7
87.70660	0.5
96.96806	0.6
97.06429	0.7
113.09605	3.5
122.00018	1.2
140.01088	9.9
142.25101	0.5
152.99519	2.7
165.01828	0.6
171.10211	0.7
179.14322	1.0
181.12323	1.1
195.13847	21.5
196.03740	17.2
196.14290	1.4
209.11794	2.3
214.04765	3.6
241.90523	0.6
277.21713	19.1
278.22070	1.4
295.22775	100.0
296.23126	10.0
314.03635	0.7
316.05521	0.8
342.04544	0.6
412.74701	0.6
490.31699	0.5
492.27316	63.2
493.27530	9.6
493.33847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94893	1.1
59.01247	100.0
60.01566	1.2
71.01228	1.3
71.49982	1.7
82.45913	1.0
83.04900	1.4
117.38812	1.1
121.02813	1.5
126.38102	1.3
148.18933	1.0
163.07536	1.5
271.69687	1.2
315.05118	3.3
491.13840	1.4
491.24158	2.8
491.36008	2.4
492.24255	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	491.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05355	1.7
55.01761	4.0
56.22313	2.3
57.03321	5.2
58.00470	4.5
59.01247	81.7
61.98706	9.2
71.00859	2.6
71.01253	53.1
71.12315	1.7
71.51524	4.4
72.99171	4.2
73.02820	12.0
75.00752	6.3
79.95618	8.2
81.03389	2.2
81.95171	4.9
83.01270	8.7
85.02820	22.6
87.00758	8.0
89.02314	33.1
93.03339	7.7
95.01267	5.2
96.95884	35.3
98.95479	21.5
98.96326	3.9
99.00783	5.4
101.02328	48.4
108.02049	32.3
109.02834	68.9
113.02319	21.2
114.09797	1.9
119.03408	15.5
119.04935	3.2
121.02798	3.6
123.00787	5.2
123.04420	8.6
124.01600	3.9
125.02311	5.7
130.57513	2.0
131.03355	2.4
133.02885	3.2
134.03630	18.2
135.04422	16.3
137.02315	15.1
139.03897	3.1
143.03423	3.3
145.02823	4.5
147.04370	2.2
149.02367	3.0
151.00226	2.7
151.03899	3.3
152.01056	40.9
153.01837	71.8
153.05458	3.0
159.04419	2.8
160.01544	9.7
161.02333	12.5
161.04416	14.8
162.02861	2.2
163.03958	4.9
166.74063	1.8
167.03368	5.4
169.01212	1.8
169.28511	1.6
173.04468	2.7
175.03897	14.7
176.01154	2.4
177.01831	2.5
179.03352	3.4
179.05563	8.0
181.12375	3.7
193.05011	12.8
198.03142	2.1
201.01947	2.8
211.04111	2.1
212.04689	2.9
213.05507	2.5
229.01471	3.4
233.15399	3.1
239.03677	2.1
251.16579	4.5
257.04480	4.0
269.17545	22.0
270.17886	2.3
271.02609	3.0
284.03107	2.0
285.04175	3.6
307.13974	3.3
311.07718	4.2
315.07477	20.1
325.02884	2.7
326.03436	8.3
327.03885	6.8
328.04080	4.7
329.04272	2.2
337.09308	3.3
431.22830	100.0
432.23239	10.0
491.11957	82.7
491.21423	9.2
492.12515	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	491.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93723	0.2
57.03317	0.4
59.01250	4.4
59.10844	0.2
61.98691	0.8
65.00194	0.3
71.01257	3.3
71.50865	0.3
72.99165	0.3
73.02811	0.8
74.98956	0.3
75.00728	0.4
79.81230	0.2
83.01266	0.4
85.02821	1.4
87.00757	0.3
89.02323	1.4
93.03336	0.8
95.04891	0.3
97.02836	0.6
97.61721	0.2
99.00741	0.5
101.02341	1.7
108.02051	0.8
109.02847	0.9
113.02343	1.3
119.03453	0.6
119.04913	6.3
121.02839	4.3
121.06473	0.3
122.03636	3.7
123.04415	0.2
123.95831	0.3
124.01589	0.3
125.02341	0.3
125.09657	0.2
135.04420	18.6
136.04771	0.7
137.02315	0.9
143.03429	0.3
149.05986	0.6
154.02634	0.5
161.02359	0.3
161.04449	0.4
163.03922	2.5
165.01848	3.8
165.09154	0.4
169.12276	0.2
171.10149	0.3
175.02473	0.3
175.03902	0.6
179.05537	0.3
185.11729	0.6
188.37848	0.2
193.01404	0.5
193.08646	2.3
207.10175	0.8
211.04105	0.3
215.12903	1.1
224.04883	0.3
233.15451	0.3
243.03035	0.3
271.02405	1.6
297.14960	0.3
300.02756	1.0
313.24020	0.3
314.15201	3.0
315.05112	8.4
316.05463	0.7
325.23648	0.4
329.17563	100.0
330.17908	10.9
343.25021	1.5
355.24805	0.5
373.25943	15.3
374.26279	1.8
431.22916	0.8
491.08017	1.4
491.22278	0.5
491.28699	7.1
492.29150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54412	0.3
57.03313	0.4
59.01249	3.6
59.02930	0.3
61.98685	0.5
64.50462	0.3
65.00190	0.5
65.84735	0.3
70.38168	1.0
70.38525	0.4
71.01259	2.9
73.02806	0.9
74.98959	0.6
75.00735	0.5
85.02826	1.6
89.02294	1.3
89.14513	0.3
93.03338	0.7
95.01213	0.4
97.02802	0.3
99.00777	0.5
101.02322	1.4
103.78821	0.3
108.02030	0.5
109.02853	0.5
113.02293	1.3
119.03412	0.6
119.04917	6.6
120.05177	0.3
121.02831	3.5
122.03626	3.7
123.04414	0.3
124.01563	0.8
135.04414	19.5
136.04732	0.9
136.99084	0.3
137.02299	0.8
145.02834	0.3
149.06000	0.7
151.00305	0.4
151.03821	0.4
154.02614	0.5
161.04478	0.6
163.03938	2.4
165.01837	3.9
165.09161	0.3
169.01276	0.4
171.10129	0.4
175.03897	0.4
185.11731	0.5
193.01318	0.4
193.08675	2.6
207.10150	0.8
207.38606	0.3
215.12790	1.0
231.29245	0.3
243.02879	0.4
254.01962	0.3
271.02411	1.4
285.04181	0.3
300.02780	1.3
314.15137	2.8
315.05099	8.2
315.15515	0.3
316.05466	0.8
329.17557	100.0
330.17883	9.3
343.24854	1.5
355.24921	0.4
373.25909	14.7
374.26163	1.2
431.22821	0.8
491.08398	1.3
491.23206	0.4
491.28748	5.6
492.29025	0.7
519.71631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80202	0.4
55.01742	1.3
57.03329	1.9
58.00460	0.5
58.93692	0.4
59.00960	0.6
59.01251	10.7
59.55588	0.4
60.01606	0.4
61.98690	1.0
63.64438	0.4
68.99641	0.4
69.03338	0.5
71.01253	10.9
71.52052	0.7
72.99176	1.0
73.02817	2.6
75.00756	0.6
83.01261	2.7
85.02824	6.6
85.99989	0.7
87.00735	0.8
89.01820	0.4
89.02293	2.1
93.02771	0.8
93.03337	14.7
93.03931	0.7
94.03685	0.6
94.72237	0.4
95.01245	1.6
97.02814	0.6
99.00752	1.8
101.02321	7.6
108.02033	2.2
109.02827	0.7
111.00744	0.9
113.02341	4.1
114.89026	0.4
119.03418	0.8
119.04914	10.6
121.02837	1.9
122.03648	2.6
124.01527	0.6
125.02310	0.5
135.04416	9.2
136.01555	2.2
137.02339	32.2
138.02673	0.7
154.01306	0.9
161.04491	0.6
163.03925	8.1
165.01819	3.3
168.02864	0.4
170.03151	0.4
174.02985	0.5
175.03920	3.0
179.03450	0.7
189.48669	0.4
191.10826	0.5
193.01381	0.5
193.08595	1.5
198.03079	0.7
209.15402	1.0
214.02475	0.5
221.04494	0.5
226.02635	1.5
227.03354	0.5
242.02185	4.9
243.02953	2.1
254.02150	2.3
257.04468	2.8
269.04639	2.1
270.01669	4.3
271.02396	5.3
281.06775	0.8
285.04086	4.3
286.04651	1.3
297.15161	0.5
298.01242	1.7
299.01935	5.7
299.99481	0.5
300.02673	1.4
313.03525	24.6
314.04193	9.8
314.15018	1.9
315.05054	6.8
315.15964	2.9
316.05310	0.9
328.05887	16.3
329.06656	23.0
329.17545	30.4
330.06970	2.1
330.17792	2.4
373.25897	4.0
383.93585	0.5
491.12500	13.5
491.22824	100.0
492.12814	2.0
492.23184	14.3
492.30096	0.9
502.92401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.9
57.03329	4.0
58.00459	5.1
59.01249	91.9
59.98388	0.7
60.01577	1.3
61.98704	6.6
63.02214	0.7
65.00179	4.1
68.99709	1.0
69.03318	4.8
69.16495	3.0
69.16918	5.7
71.01251	82.9
72.01574	1.3
72.99187	7.0
73.02819	13.5
74.98980	1.1
75.00738	6.6
76.73936	0.7
81.03325	3.2
81.42474	0.7
83.01259	5.6
83.04873	1.0
83.90736	0.8
85.01014	0.7
85.02821	20.5
87.00744	7.7
87.04368	1.3
89.02314	75.1
90.02642	1.1
91.01772	0.9
93.03333	2.1
95.01253	7.9
96.95879	0.9
97.02822	9.5
99.00772	4.8
99.04382	1.5
101.02321	59.2
102.02633	1.3
103.00301	1.0
108.02020	0.9
109.02833	6.1
111.00732	1.9
113.02326	31.8
113.05903	0.8
114.02639	1.0
115.00299	0.7
117.01801	0.9
119.03387	36.1
119.04798	1.7
120.03645	1.0
120.99554	0.9
121.02831	14.3
123.00742	1.7
123.04412	1.5
124.01544	1.3
125.02336	28.1
126.02633	1.0
129.01808	1.3
131.03386	7.5
131.04915	1.2
134.03609	0.9
135.04405	2.0
137.02324	1.7
137.09618	0.8
139.03883	3.0
141.01808	1.0
143.03404	8.8
145.02834	2.5
147.04364	1.0
149.02338	2.3
149.04445	2.7
149.09702	0.8
149.99492	1.1
152.98152	0.7
155.03409	1.0
155.10641	1.0
156.99553	1.5
159.04362	1.0
161.02327	3.3
161.04466	14.4
163.00179	1.2
163.03931	1.4
163.11247	0.9
165.01843	41.0
165.09145	5.3
166.02226	1.6
167.03448	1.5
167.10681	42.3
168.11009	2.2
171.10266	1.0
173.02251	0.9
173.04483	1.8
174.03143	4.8
175.02574	1.3
175.03908	30.8
176.01100	0.9
176.04301	1.2
179.03261	1.1
179.03757	0.9
179.05530	18.0
183.02908	2.0
185.11780	1.6
189.01945	0.9
191.10718	1.9
193.01367	3.8
193.04984	1.1
203.03523	1.0
203.05441	1.1
204.57936	0.8
209.11942	1.0
211.03983	0.9
215.03436	0.8
221.04549	1.6
221.06610	19.0
225.14896	1.2
226.02617	2.3
227.03345	1.6
228.04102	1.9
243.03000	5.2
244.03636	1.1
245.06569	3.8
254.02101	3.0
255.02902	3.8
256.03610	1.7
263.07791	6.9
269.04620	1.7
269.17609	4.7
269.19986	0.7
271.02463	18.2
272.03201	3.8
283.10345	1.9
285.04010	1.8
285.20761	1.6
287.05435	1.1
297.04001	1.1
300.02707	15.0
301.03241	3.1
315.05084	100.0
316.05429	11.7
323.09857	16.1
324.10089	1.5
325.23840	2.0
329.02759	1.1
338.03976	0.9
341.11020	4.5
343.12381	0.8
343.25009	1.1
359.20758	2.1
371.15179	1.9
373.25900	21.2
374.26160	2.2
375.27438	1.3
413.21628	1.5
474.29089	0.9
491.08014	11.8
491.28931	8.3
492.08423	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	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87337	1.2
59.01244	8.7
63.63523	1.2
71.01251	7.3
71.49790	2.5
72.71886	1.3
72.99179	1.3
73.02822	5.3
75.51551	1.2
85.02807	1.7
87.00775	1.8
89.02314	16.8
93.96828	1.4
103.03864	3.4
117.58571	1.2
125.02332	2.4
131.03397	7.3
135.04434	2.1
143.53349	1.5
149.04460	100.0
175.00580	1.6
180.28055	1.3
201.01762	1.6
228.73589	1.3
229.01343	2.7
235.88277	1.4
245.00964	1.4
248.91142	1.2
257.00644	1.4
275.02014	2.6
300.99817	5.2
314.78784	1.5
382.02167	1.5
400.80670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.156
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
53.15814	0.4
58.63995	0.4
59.01030	0.4
59.01249	3.7
61.98695	1.4
69.23495	4.3
70.82268	0.4
71.01253	3.3
72.87547	0.4
73.02823	1.5
77.78976	0.4
83.01244	0.4
85.02819	1.9
87.00726	0.6
88.28156	0.5
89.02320	1.3
93.03323	0.5
95.01276	0.9
95.04921	1.3
96.95945	0.5
99.00787	0.5
101.02311	2.1
108.02054	0.7
109.02844	1.5
113.02329	1.9
121.02792	0.9
122.03617	1.7
123.04406	100.0
124.04748	3.3
125.02346	0.6
131.03346	0.5
132.02049	8.9
133.02814	0.8
134.03633	14.7
135.04385	1.7
137.02319	1.0
149.05966	3.1
150.63293	0.5
152.01041	0.6
153.05476	97.2
154.05830	4.3
160.01566	40.6
160.02602	0.4
161.02010	2.5
161.04471	0.6
167.10716	0.8
174.03091	0.8
175.03918	61.7
176.04308	2.4
178.02617	1.1
191.07021	0.7
193.04985	15.2
194.05359	0.9
205.04895	0.5
217.04985	1.3
255.05093	0.6
269.17624	0.6
279.78958	0.5
283.09839	0.6
315.10901	1.1
323.07642	0.6
337.09268	88.2
338.09637	6.8
340.09296	0.9
343.11801	1.6
355.11816	1.2
380.51373	0.5
431.22842	0.9
491.16336	3.4
491.21924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92545	1.5
59.01246	4.0
62.21564	1.3
71.01252	1.8
71.08857	2.1
71.09197	1.5
72.56430	1.4
92.66805	1.4
93.03342	1.5
104.19009	1.4
108.84866	1.4
117.03323	2.2
118.86086	1.2
120.27898	1.4
131.04893	4.5
132.78897	1.3
135.04391	4.9
145.02826	4.1
159.04388	4.5
161.02338	43.3
162.02718	2.2
163.00224	2.7
163.03938	2.5
168.00575	2.4
169.01305	2.9
173.02350	5.8
174.03130	20.0
175.03943	28.2
177.01865	2.5
183.04431	2.7
185.02290	2.2
186.03220	1.4
187.00325	18.3
187.03925	100.0
188.04352	6.9
189.01849	78.9
190.02176	6.0
191.05388	1.6
195.04393	3.7
199.04001	3.7
200.04744	9.9
201.01776	1.7
201.05504	14.1
202.02570	3.2
203.03445	3.9
211.03906	5.9
213.05518	2.6
214.02594	4.2
215.03418	17.1
215.06891	1.9
219.70482	1.4
224.04721	3.3
225.05513	4.0
226.02676	3.1
227.03452	5.1
228.04292	6.7
229.04901	5.6
230.05670	2.4
231.06519	15.3
233.05939	2.8
239.07066	10.8
240.04256	7.9
240.07381	1.3
241.04846	2.0
243.06569	20.7
244.07051	2.6
251.07126	11.7
255.06549	3.5
256.03540	1.5
256.07336	1.7
257.08224	7.9
269.08136	3.8
271.06049	4.9
272.07007	2.8
285.05014	2.5
285.08047	8.5
287.09384	3.5
301.05060	4.5
303.06616	5.4
313.05161	2.5
314.06052	2.5
315.05145	4.7
317.04474	2.2
329.04541	42.2
330.04861	5.4
339.06516	3.3
341.04532	5.2
342.05228	10.9
343.06088	3.9
345.03979	10.4
346.04791	56.3
347.05542	62.6
348.05933	8.5
355.06003	7.7
356.06775	7.1
357.07700	3.6
358.04938	3.9
359.05478	4.3
360.06204	3.7
367.05969	2.1
370.04919	3.1
371.05527	3.3
374.07794	1.8
375.01297	5.8
376.01791	1.5
380.07086	2.5
383.05566	10.9
384.06271	13.3
385.06970	6.8
387.05063	6.2
388.05902	4.3
395.09225	12.7
396.09113	2.1
398.07959	4.2
402.07571	3.2
403.57471	5.5
404.07455	1.6
413.10449	19.0
414.10498	4.2
415.08160	4.5
416.08768	2.4
430.06784	3.6
431.11176	6.1
441.10114	6.8
459.10989	10.3
460.11481	5.4
462.09567	19.7
463.09961	3.0
491.06415	5.9
491.13416	42.2
491.33698	4.5
492.07935	2.6
492.14233	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79777	0.5
59.01239	1.9
59.93182	0.6
70.88971	0.7
70.89321	1.4
71.01222	0.7
73.02792	1.2
78.34195	0.6
78.95777	0.7
93.03305	0.8
97.72097	0.6
97.72742	0.7
99.00753	0.8
110.07635	0.6
111.04491	0.6
117.03320	2.6
121.27614	0.6
126.98709	0.6
131.04907	5.7
133.02852	0.6
135.04362	0.8
143.04907	0.7
145.02838	3.8
147.04507	0.8
151.03940	0.7
157.02873	0.8
158.03551	1.0
159.04410	3.9
160.01587	1.1
161.02351	28.7
162.02696	1.4
163.00235	1.1
163.03894	2.7
165.01901	1.4
171.04434	1.3
173.02359	8.1
174.03131	16.3
175.03925	33.2
176.04221	1.8
177.01790	1.5
177.05450	0.7
183.04430	5.8
185.02266	0.8
185.05847	0.8
186.03140	1.2
187.00377	9.1
187.03923	77.1
188.04346	6.0
189.01855	46.9
190.02209	2.3
195.04451	2.3
196.05185	1.4
198.03069	1.0
199.03957	2.4
200.04706	8.5
201.05479	11.8
202.02638	2.4
202.05766	1.1
203.03415	5.2
211.03931	7.0
212.04581	0.7
213.05423	1.7
214.02612	5.4
215.03441	21.0
215.06798	1.1
216.03999	2.5
224.04733	1.7
225.05530	2.1
226.02606	3.3
227.03412	6.4
228.04247	6.3
229.04968	6.1
230.05740	2.2
231.06540	5.6
233.06049	1.7
238.06447	0.7
239.03415	2.6
239.07088	6.9
240.04187	5.6
241.04913	2.8
241.08755	0.9
242.02200	1.4
243.02945	1.2
243.03847	0.8
243.06596	13.7
244.07083	0.9
246.06815	0.6
251.07077	4.3
253.04813	0.7
255.02968	0.7
255.06509	3.2
256.03632	1.3
256.07339	2.1
257.05835	1.1
257.08182	7.5
259.06027	0.8
261.05676	0.9
267.03091	0.6
267.06595	1.4
269.08289	1.2
271.03192	0.6
271.06030	3.4
273.05551	2.1
274.06311	1.6
275.07077	1.5
283.06128	1.4
285.05548	2.4
285.07986	12.4
286.08359	0.7
289.04929	0.8
290.05698	0.9
300.04395	0.8
301.04999	5.1
302.05832	1.8
303.06586	8.7
311.06964	0.8
313.05096	0.7
314.05905	0.7
315.05246	1.3
317.04596	2.9
318.05209	2.4
319.06088	2.1
327.06598	1.8
329.04538	61.9
330.04916	8.5
331.06137	0.6
337.05115	1.5
338.05917	0.7
339.06564	3.2
340.07098	1.2
341.04446	4.9
342.05280	8.4
343.05917	4.3
345.04001	15.6
345.07898	1.2
346.04785	88.3
347.05545	100.0
348.05954	8.7
353.07697	0.7
355.06003	7.1
356.06818	6.7
357.03870	0.9
357.07706	4.5
358.04666	3.9
358.08569	0.6
359.05530	5.8
360.06198	2.3
366.05045	1.1
367.05817	2.9
368.06473	0.7
369.03854	1.0
370.04840	2.3
371.05438	3.5
373.07193	1.0
374.07901	1.8
377.08191	1.1
379.06024	1.1
380.06610	1.3
383.05591	6.1
384.06296	9.4
385.07053	6.5
385.11359	0.9
387.05130	7.5
388.05795	5.0
395.09271	6.5
396.09650	1.3
398.07706	2.8
399.08643	1.9
402.07227	3.3
412.09839	0.7
413.10452	11.6
414.10675	1.4
415.08249	4.4
416.08881	3.6
430.06967	2.0
431.11444	2.9
441.09717	7.2
442.10178	1.3
459.10913	10.5
460.11368	4.4
462.09576	19.5
463.09958	3.0
490.32843	1.8
491.13461	51.8
491.32797	1.9
492.14096	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	491.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
61.98692	1.6
71.01255	2.2
71.51601	0.8
78.95759	2.0
83.04893	0.9
83.31077	0.7
88.21749	0.7
89.45432	0.7
91.01743	1.1
94.66379	0.6
97.55280	0.7
97.65266	0.7
101.02263	1.1
104.06168	0.8
112.53581	0.6
117.03336	3.2
121.02961	0.7
125.02366	0.7
132.25923	0.6
140.01093	0.9
143.05089	0.7
145.02797	0.6
146.44176	0.7
156.47601	0.6
159.04361	1.2
161.02344	44.9
162.02596	1.9
163.04012	0.8
165.01825	1.5
171.04469	1.0
173.02319	1.6
174.03134	9.4
175.03932	6.2
183.04413	0.9
187.00298	21.2
187.03917	15.0
188.00613	1.8
189.01854	100.0
189.05403	2.0
190.02197	5.9
190.05859	0.7
194.41933	0.7
195.13885	1.3
196.14131	1.4
197.05864	0.9
199.03780	1.3
200.04710	6.3
201.05519	2.5
202.52802	0.7
203.03339	0.8
206.34744	0.6
210.84143	0.6
211.03903	1.9
214.02722	4.9
214.04581	1.3
215.03403	2.4
223.13347	1.3
224.04820	4.0
225.05363	1.5
226.02336	0.7
227.03473	1.6
228.04239	5.1
229.05057	2.6
230.05728	0.8
231.06567	12.5
232.06924	1.0
237.05481	1.0
239.07100	9.1
240.07414	0.9
241.08702	2.5
243.06601	7.0
249.05508	0.8
251.07002	3.7
253.54092	0.7
256.07333	2.1
257.08112	2.5
270.98712	1.0
285.07663	16.0
286.08090	1.2
293.21228	8.4
294.21490	13.8
295.22189	0.9
296.04095	0.8
315.05191	2.8
329.04398	1.1
335.07346	0.8
336.07739	0.8
339.06055	0.8
340.07553	1.3
341.04453	1.2
342.05270	0.8
345.03885	1.2
346.04837	1.2
351.06607	1.6
351.10468	0.9
352.07391	1.2
355.06152	2.3
356.06766	1.3
358.04718	0.9
366.05270	8.1
367.05786	1.3
367.09772	1.2
370.04898	2.7
375.01395	8.2
377.07986	1.8
379.06036	5.7
380.06863	7.3
383.05579	7.4
384.06412	7.3
385.06924	1.9
387.05103	2.3
395.09204	53.3
396.09497	6.4
411.05731	0.9
411.10934	2.4
412.05896	3.3
413.10300	52.2
414.10571	8.5
429.09848	1.5
431.11429	11.0
432.11844	1.9
441.09814	7.5
442.10184	1.3
459.10870	3.0
490.36218	1.6
491.06186	7.0
491.25769	4.0
491.32813	3.9
492.07443	1.3
492.14362	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.8
60.32992	1.4
61.52171	1.6
62.12556	1.4
63.52711	1.5
63.90990	1.7
69.27374	16.3
69.27768	2.7
71.01257	3.0
75.64774	1.5
77.44868	1.6
79.51490	1.5
85.02782	2.0
99.30575	1.7
108.02050	54.4
109.02843	34.1
132.02023	4.2
133.02795	4.1
134.03613	7.3
135.00752	2.6
135.04369	2.8
152.01048	61.8
153.01840	34.1
160.01564	25.6
161.02303	14.6
175.03929	21.3
179.03357	3.6
193.05008	4.2
265.48138	1.7
275.50540	1.8
284.04523	2.0
315.07199	17.9
323.07602	2.3
337.09442	2.3
340.06128	1.8
459.09210	2.6
491.11945	100.0
492.12170	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47046	0.5
59.01246	7.7
61.98691	1.8
69.03318	0.8
69.21037	4.3
71.01250	5.4
71.04912	0.7
72.81060	0.4
73.02821	1.7
75.00746	1.2
81.03337	1.6
83.01247	0.9
85.02817	3.9
87.00730	0.4
89.02315	2.3
91.01784	0.6
93.03320	1.0
95.01254	3.4
96.95886	1.3
97.02822	0.8
97.75275	0.4
98.20517	0.8
99.00737	0.9
101.02327	3.1
106.45553	0.4
107.01233	0.7
108.02055	70.0
109.02855	27.5
109.03388	0.4
109.03617	0.8
113.02344	3.0
113.96545	0.4
117.03348	0.9
119.03332	0.5
119.04873	0.9
120.99531	2.1
121.02850	2.1
122.03618	0.8
123.00794	2.1
123.04385	4.5
124.01577	0.8
125.02350	1.3
132.02074	7.5
133.02847	5.1
134.03633	8.9
135.00757	1.9
135.02875	0.6
135.04416	5.2
137.02417	0.9
139.00333	0.5
139.03896	0.5
145.02821	1.7
148.01561	0.5
149.02278	0.9
149.05981	1.9
150.03139	0.7
151.00253	2.6
151.03841	1.0
152.01057	83.6
153.01852	23.3
153.61691	0.4
154.02159	0.7
160.01570	35.0
161.02361	21.1
161.04405	0.9
162.02744	1.0
163.00272	0.8
163.03920	1.5
165.01909	2.0
165.05450	0.5
166.02570	0.5
167.03416	9.7
168.04242	0.7
169.01363	0.7
174.03087	0.6
175.03918	30.9
176.04326	2.0
177.05440	0.8
178.02534	0.9
178.99809	0.5
179.03427	3.0
179.04868	0.4
179.05392	0.3
181.04965	0.8
183.04662	0.5
183.06445	0.5
183.10188	0.8
187.00290	0.4
190.02667	1.3
191.03490	0.5
191.05562	0.5
193.04961	3.3
195.02870	0.8
199.03949	0.6
202.45990	0.4
203.03439	0.7
205.04988	1.2
209.04497	3.1
221.04498	1.1
225.11421	0.5
227.03458	1.1
228.04155	0.8
239.05560	0.7
242.05768	0.5
243.02910	1.4
243.06645	1.5
254.02197	0.5
255.02968	3.5
269.06760	1.1
269.17584	0.6
271.02466	8.6
272.02975	1.0
293.08575	0.4
293.11877	0.6
300.02719	12.2
301.03400	5.2
302.03848	0.5
307.08417	1.0
310.11835	0.4
315.07404	17.7
316.07449	1.8
323.07709	5.2
323.58185	0.4
323.66940	0.4
329.03091	0.5
337.09369	1.5
399.54163	0.5
431.22647	0.8
447.13016	2.0
459.09332	1.4
491.12015	100.0
492.12387	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	491.1197
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
59.01252	3.5
68.53567	0.6
69.57957	3.4
69.58376	1.1
71.01233	1.8
72.70229	0.6
75.00742	0.7
83.01260	0.7
101.02299	1.7
110.00000	0.8
113.02315	1.0
119.04933	3.7
135.04399	1.7
137.02318	2.3
139.35345	0.6
142.83864	0.6
154.01364	3.8
163.03879	2.5
165.01837	3.2
175.03839	1.4
198.03076	2.1
213.05444	1.2
214.02591	1.9
220.69305	0.6
223.45555	0.6
226.02707	3.3
227.03351	1.4
241.04945	1.6
242.02153	11.5
243.02907	4.7
245.00868	1.2
254.02153	7.6
257.04565	6.4
258.05157	1.5
269.04584	4.6
270.01663	11.7
271.02448	13.9
272.02872	1.0
285.04050	11.7
286.04654	2.4
298.01227	4.0
299.01965	14.5
299.05319	0.8
300.02408	1.9
313.03528	60.0
314.04263	31.5
315.05008	7.0
328.05878	34.8
329.06641	100.0
329.17331	4.9
330.07007	8.7
373.26041	1.4
401.01169	0.7
491.11996	26.7
491.22675	9.7
491.28751	0.9
492.12326	4.9
492.23444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
57.03294	1.0
59.01247	24.3
61.98687	3.2
65.00194	1.7
65.25581	1.1
69.31503	9.8
71.01248	18.9
72.97391	3.4
72.99184	2.9
73.02813	3.4
75.00741	4.5
77.44019	1.1
79.01771	1.3
81.03319	2.3
83.01255	3.0
83.04887	1.5
85.02803	6.1
87.00735	3.4
89.02319	7.3
92.55966	1.1
93.03320	2.6
95.01256	2.5
96.95879	3.6
97.02795	1.5
98.95451	2.2
99.00715	1.7
99.04353	1.1
101.02316	13.2
106.11472	1.2
107.01259	4.4
108.02044	6.8
109.02834	6.7
111.00768	2.7
113.02321	7.3
115.05405	4.4
117.03362	1.6
119.01318	1.2
119.03395	2.4
119.04895	8.7
120.99514	2.1
121.02838	4.2
123.00777	6.7
123.04414	4.3
124.01551	2.3
125.02320	21.4
127.00230	1.7
133.02831	3.5
133.06456	2.3
134.03606	2.2
135.02867	3.7
135.04416	4.8
137.02353	4.0
139.00255	3.6
139.03867	2.1
140.01045	2.3
145.02846	4.5
147.00772	2.1
149.02274	2.6
149.06018	1.2
151.00240	8.1
152.01059	9.6
153.01813	6.5
153.09102	1.9
158.03613	1.5
159.04416	8.6
161.02368	5.7
161.04501	5.6
161.05684	1.5
163.00294	2.5
163.03902	6.3
165.01866	2.5
167.03366	2.3
168.00569	14.2
169.01332	31.5
173.04512	1.6
175.00212	2.5
175.03899	2.1
177.01840	2.5
177.05429	1.6
178.99767	3.0
179.03421	2.3
179.05461	1.3
183.02885	3.2
183.04393	1.5
183.10153	4.2
187.03897	1.8
191.05466	1.2
193.01260	1.7
193.04968	2.8
199.03889	1.5
203.03456	1.1
211.02402	53.5
212.02762	3.3
227.03447	1.3
227.12788	1.8
229.05014	1.7
241.11070	1.2
243.02980	1.8
255.02814	1.4
257.00870	1.3
257.04593	1.7
269.17526	1.3
271.04596	100.0
272.05017	5.6
285.00519	2.9
285.03922	3.1
287.01868	1.9
297.06201	3.6
297.97540	1.7
298.98282	2.9
299.01672	2.3
300.02744	2.1
301.03473	15.6
309.11920	1.3
311.02011	1.5
312.99771	4.0
313.05692	1.5
314.00504	2.8
314.04071	2.4
315.01410	3.8
315.07520	1.4
316.02237	2.0
323.07877	1.2
325.11322	1.5
327.01352	3.3
327.07196	4.0
328.02075	1.9
329.02948	2.9
329.16074	3.2
331.06699	17.2
332.07202	1.8
355.08191	1.4
403.14435	1.6
431.22842	2.4
447.13464	6.8
490.29810	3.3
491.07397	21.5
491.21579	9.2
491.28464	1.7
491.30252	1.5
492.08878	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
57.03294	1.0
59.01247	24.3
61.98687	3.2
65.00194	1.7
65.25581	1.1
69.31503	9.8
71.01248	18.9
72.97391	3.4
72.99184	2.9
73.02813	3.4
75.00741	4.5
77.44019	1.1
79.01771	1.3
81.03319	2.3
83.01255	3.0
83.04887	1.5
85.02803	6.1
87.00735	3.4
89.02319	7.3
92.55966	1.1
93.03320	2.6
95.01256	2.5
96.95879	3.6
97.02795	1.5
98.95451	2.2
99.00715	1.7
99.04353	1.1
101.02316	13.2
106.11472	1.2
107.01259	4.4
108.02044	6.8
109.02834	6.7
111.00768	2.7
113.02321	7.3
115.05405	4.4
117.03362	1.6
119.01318	1.2
119.03395	2.4
119.04895	8.7
120.99514	2.1
121.02838	4.2
123.00777	6.7
123.04414	4.3
124.01551	2.3
125.02320	21.4
127.00230	1.7
133.02831	3.5
133.06456	2.3
134.03606	2.2
135.02867	3.7
135.04416	4.8
137.02353	4.0
139.00255	3.6
139.03867	2.1
140.01045	2.3
145.02846	4.5
147.00772	2.1
149.02274	2.6
149.06018	1.2
151.00240	8.1
152.01059	9.6
153.01813	6.5
153.09102	1.9
158.03613	1.5
159.04416	8.6
161.02368	5.7
161.04501	5.6
161.05684	1.5
163.00294	2.5
163.03902	6.3
165.01866	2.5
167.03366	2.3
168.00569	14.2
169.01332	31.5
173.04512	1.6
175.00212	2.5
175.03899	2.1
177.01840	2.5
177.05429	1.6
178.99767	3.0
179.03421	2.3
179.05461	1.3
183.02885	3.2
183.04393	1.5
183.10153	4.2
187.03897	1.8
191.05466	1.2
193.01260	1.7
193.04968	2.8
199.03889	1.5
203.03456	1.1
211.02402	53.5
212.02762	3.3
227.03447	1.3
227.12788	1.8
229.05014	1.7
241.11070	1.2
243.02980	1.8
255.02814	1.4
257.00870	1.3
257.04593	1.7
269.17526	1.3
271.04596	100.0
272.05017	5.6
285.00519	2.9
285.03922	3.1
287.01868	1.9
297.06201	3.6
297.97540	1.7
298.98282	2.9
299.01672	2.3
300.02744	2.1
301.03473	15.6
309.11920	1.3
311.02011	1.5
312.99771	4.0
313.05692	1.5
314.00504	2.8
314.04071	2.4
315.01410	3.8
315.07520	1.4
316.02237	2.0
323.07877	1.2
325.11322	1.5
327.01352	3.3
327.07196	4.0
328.02075	1.9
329.02948	2.9
329.16074	3.2
331.06699	17.2
332.07202	1.8
355.08191	1.4
403.14435	1.6
431.22842	2.4
447.13464	6.8
490.29810	3.3
491.07397	21.5
491.21579	9.2
491.28464	1.7
491.30252	1.5
492.08878	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	491.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.3
57.03330	1.4
58.00457	0.3
59.00959	0.4
59.01248	6.8
63.02271	0.4
63.88045	0.2
65.00188	0.4
68.99684	0.5
69.23248	1.4
69.23673	1.1
71.01250	8.6
72.99162	1.0
73.02792	0.9
75.00744	2.8
80.67529	0.3
83.01234	0.9
84.02046	0.3
85.02823	11.2
87.00744	2.0
89.02293	1.2
90.41631	0.2
91.01711	0.3
95.01260	3.0
95.92876	0.2
98.20583	0.5
99.00748	3.7
101.02311	0.4
103.00258	2.0
107.01257	1.6
108.02075	1.4
109.02808	0.6
111.00791	0.4
113.02328	14.8
114.02638	0.5
115.00212	0.9
117.01826	1.3
120.99524	0.4
122.03589	0.8
123.00750	0.4
123.04388	0.5
124.01541	0.5
129.01805	0.9
131.87022	0.3
135.00769	0.7
135.04422	0.4
137.02240	0.4
147.00685	0.3
148.01549	1.4
149.99489	0.3
151.00266	3.7
152.00992	0.4
153.01784	0.4
161.02382	0.6
163.00253	1.3
164.00996	0.9
165.01653	0.3
169.01234	0.5
175.00284	0.5
175.00841	0.4
175.02374	3.0
175.03806	0.4
178.99715	0.3
187.03758	0.3
190.02632	1.2
192.00497	0.4
194.18846	0.2
199.03903	0.8
200.04778	0.3
202.02664	0.4
203.03532	0.3
205.04973	1.0
211.04065	0.4
215.03386	0.6
216.04190	0.7
226.02698	0.8
227.03447	2.0
228.04097	0.7
243.02980	10.0
244.03529	2.5
254.02232	1.2
255.02963	17.1
256.03601	1.6
259.06125	0.8
271.02466	33.7
272.03101	6.4
283.02408	0.4
285.03827	0.4
287.05643	1.8
299.02063	0.9
300.02734	46.4
301.03088	4.4
315.05090	100.0
316.01764	0.6
316.05402	8.3
316.08981	0.6
434.75174	0.3
447.13055	0.3
491.07913	2.1
491.15686	0.4
491.21594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15454	1.1
57.17897	1.0
59.01247	11.8
61.09483	1.1
62.63673	0.9
62.91597	0.9
69.37642	8.3
69.52983	1.1
71.01251	13.0
72.99189	1.5
73.02817	1.8
75.53832	1.1
81.47459	0.9
81.91380	1.0
84.72926	1.0
85.02824	9.6
87.00763	2.9
89.02319	1.5
93.22519	1.1
95.01252	2.3
99.00745	4.3
101.02309	1.5
103.00273	2.3
107.01292	1.2
108.02043	1.4
110.19116	1.0
111.61786	1.1
113.02323	13.1
117.01844	1.3
120.99547	1.9
125.02332	2.0
135.04497	1.2
148.01608	1.7
151.00247	4.3
164.01178	1.3
169.01366	1.8
174.03171	2.2
175.02396	3.1
175.03757	2.7
176.04224	1.5
206.03296	1.0
224.66028	1.2
227.03488	2.6
243.02946	8.8
254.02255	1.5
255.02975	17.5
256.03400	2.1
271.02451	36.9
272.02826	5.8
291.41626	1.3
300.02734	100.0
301.03104	8.8
315.05090	95.6
315.08981	1.2
316.05338	9.4
377.87177	1.0
407.60754	1.1
491.08099	6.8
491.21527	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	491.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85707	0.5
57.03315	0.7
59.00988	0.7
59.01252	6.2
71.01247	1.9
73.02800	0.8
75.00745	0.8
85.02810	0.6
89.02319	1.6
93.03333	0.8
101.02322	2.8
109.02829	1.1
111.00718	0.8
113.02318	0.9
120.99533	10.8
125.02316	0.9
133.02846	0.8
135.00755	0.7
135.02867	2.0
137.02322	1.0
139.11177	1.0
140.59853	0.6
149.02238	0.7
151.00241	1.8
153.09091	0.6
159.04401	0.7
161.02336	1.8
163.06020	1.2
164.00966	0.8
165.18585	0.5
169.01300	1.4
171.04431	0.9
179.05397	0.8
183.10217	2.9
187.03976	0.8
199.03905	1.1
201.28709	0.6
213.01814	1.4
214.02594	0.9
215.03398	1.4
229.01335	1.2
231.02937	0.9
236.86272	0.6
242.02165	0.7
243.02979	1.8
254.99263	0.6
256.00067	0.9
257.00848	5.9
259.02414	1.4
269.00867	3.5
269.98083	10.3
270.01123	0.8
270.98782	10.7
271.02411	4.4
271.99338	0.7
273.00427	1.1
283.99670	3.9
284.97363	0.9
285.00397	12.0
286.00870	0.8
286.40085	0.6
287.01956	3.1
297.00360	8.7
297.97543	15.4
298.00702	1.3
298.98264	21.0
299.01932	12.9
299.98810	2.1
300.02271	1.1
311.01825	1.1
311.99109	5.1
312.99887	31.8
314.00632	20.9
315.01450	11.8
316.02307	4.2
317.02905	1.1
325.11273	1.2
327.01456	29.5
328.02109	8.0
329.03027	18.5
330.03152	1.3
374.32312	0.7
431.22989	1.0
461.03619	6.4
476.05942	8.1
477.06241	1.3
491.08246	100.0
492.08527	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	491.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80682	0.4
58.78356	0.4
59.01249	6.0
61.98718	1.0
63.89437	0.5
65.38042	0.4
68.37497	0.4
69.90681	2.2
71.01247	2.9
73.02837	1.1
75.00769	1.7
85.02847	1.0
89.02317	2.6
93.03343	1.1
95.01268	0.6
95.04896	0.5
96.95876	0.6
98.19836	0.6
101.02369	1.9
108.02081	1.9
109.02875	1.7
113.02364	1.3
119.03406	0.8
119.04932	0.7
123.04465	1.3
125.02328	0.7
129.05441	0.6
133.02837	2.1
135.02914	0.7
135.04420	2.9
136.01607	0.9
137.02374	1.1
147.04514	0.4
149.05948	2.0
151.00291	1.1
152.01036	2.4
153.01842	0.6
159.04402	0.8
161.02345	7.1
161.04486	0.7
163.03897	1.0
165.05481	0.4
167.03432	3.5
169.01357	0.5
173.04539	0.7
175.03772	0.5
177.05513	0.7
178.99828	0.5
179.03448	1.4
181.08667	1.2
183.10117	0.9
188.21173	0.4
191.03238	0.7
193.04976	0.8
197.99564	1.0
209.04535	0.7
229.01379	0.7
237.06108	1.0
240.07443	0.5
241.98477	0.9
254.99313	2.7
255.03076	0.7
256.00034	0.6
257.00919	3.8
269.00900	3.1
269.98056	25.6
270.98529	2.8
271.02255	2.0
273.04022	0.6
273.52673	0.5
282.98737	0.9
283.99698	2.2
284.02637	0.5
285.00391	17.4
285.03452	0.8
286.00824	1.9
297.00391	4.6
297.97556	49.4
298.98059	5.8
299.01971	5.8
299.99280	0.5
300.02490	1.0
301.03522	2.3
309.11984	2.9
311.02002	0.8
311.99063	2.4
312.99887	88.6
314.00311	10.5
315.01416	1.8
317.04376	0.6
323.07742	5.3
327.01434	9.8
328.02231	34.0
329.02808	3.4
329.13907	1.2
343.00754	0.8
431.22864	1.1
476.05869	9.3
477.06436	1.2
491.08200	100.0
491.20636	3.2
492.08539	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	491.0828
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
57.03331	0.3
59.01253	1.9
61.38966	0.2
65.00191	2.9
71.01250	4.2
72.99195	0.3
73.93912	0.2
85.02827	2.0
87.00758	0.4
89.00198	0.6
91.01772	0.7
93.03337	0.7
95.01260	0.7
97.02832	2.1
98.18494	0.3
98.19797	0.7
98.28517	0.2
99.00756	0.9
103.00248	0.9
107.01241	0.3
108.44077	0.2
109.02139	0.4
109.02836	3.5
113.02338	2.9
115.00215	0.3
117.01777	0.5
121.02837	11.9
122.03149	0.4
124.01585	0.3
129.01828	0.3
133.99951	0.3
135.00844	0.3
139.03891	0.5
148.01605	0.3
149.02361	0.7
149.99512	1.2
151.00258	0.9
163.00313	1.4
165.01839	30.4
166.02208	1.3
175.02400	1.6
190.99806	0.5
193.01353	3.6
207.02908	0.4
211.04028	0.3
215.03325	0.4
222.32973	0.3
226.02710	1.7
227.03450	1.2
228.04219	0.9
239.03526	0.3
243.02933	4.4
243.06630	0.4
244.03534	0.8
254.02162	2.6
255.02911	2.9
256.03598	1.4
259.06042	1.1
269.04510	0.6
270.05298	0.2
271.02466	16.8
272.03043	2.4
282.01740	0.2
287.05597	1.9
297.04050	1.1
299.01907	0.6
300.02725	12.4
301.03082	1.2
315.05087	100.0
316.05396	8.2
358.31177	0.2
429.58109	0.2
487.94116	0.2
491.08276	14.1
492.08444	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	490.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.5
61.98700	2.5
65.00185	3.9
65.99715	2.4
71.01241	11.7
72.99168	3.4
75.00724	3.6
75.53172	2.5
83.01266	4.0
89.02316	8.8
93.03316	2.9
95.01257	3.9
98.20566	7.8
101.02313	5.2
107.01270	9.1
109.02852	22.8
109.07999	2.8
111.21939	2.7
119.04910	3.4
121.02853	6.6
122.03623	3.2
123.00751	8.1
124.01532	3.9
125.02326	8.5
129.60672	2.4
133.01260	3.1
133.02835	7.4
134.02386	4.2
135.02884	11.0
135.04419	5.6
137.02359	15.0
146.02339	3.6
147.00850	3.4
148.00372	4.1
148.01546	51.2
149.02399	15.8
150.68539	3.1
151.00282	26.9
152.00998	5.0
153.01826	5.4
161.02328	12.1
162.01906	15.1
163.00293	7.8
163.02646	4.4
163.03903	5.9
164.03410	12.2
165.01883	5.0
166.99763	3.6
167.03282	2.8
169.01332	3.7
171.04488	3.0
175.00346	6.5
175.03859	4.3
176.01073	4.7
177.01859	46.4
178.99753	13.7
179.03365	9.5
186.01875	11.2
187.02519	3.2
187.04002	5.1
190.01291	6.4
190.02762	4.9
191.01981	4.7
191.03520	6.1
193.01247	4.4
199.03943	8.7
202.99736	9.0
204.02936	37.6
205.04971	6.0
214.01299	3.8
215.03429	6.3
227.03523	8.0
229.01476	2.8
229.41954	3.1
230.00787	21.5
241.05135	3.2
242.02214	3.7
243.02998	13.5
245.04509	3.8
247.01077	3.5
255.02908	5.1
269.04510	3.6
271.02393	26.7
272.03055	9.4
273.03897	5.0
285.04105	7.5
287.01938	3.5
294.04114	8.4
299.01993	24.6
299.07874	3.2
299.99466	3.3
300.02426	13.0
301.03113	3.4
313.03616	12.4
315.05112	4.5
316.02036	13.4
317.02933	34.2
318.03317	4.4
322.03516	23.8
323.04044	4.0
325.05701	16.8
339.03857	18.9
340.04581	46.7
341.04932	6.5
354.08279	38.5
355.08496	5.2
357.04706	13.8
358.05707	25.8
380.06168	51.4
381.06668	5.2
405.07901	4.2
432.07227	6.1
449.07202	21.4
450.07468	3.2
472.08740	32.7
490.09888	100.0
491.09940	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	490.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	21.5
61.81247	3.3
61.98699	5.2
65.00203	3.4
65.99715	4.1
69.44260	21.4
70.11398	2.9
71.01246	12.8
75.00751	6.7
89.02303	5.6
93.03330	3.7
95.01257	4.6
107.01224	6.0
109.02850	20.7
112.63088	3.0
119.04958	3.4
121.02841	10.4
123.00726	9.5
123.04381	6.5
125.02328	9.0
126.97997	3.5
133.02834	6.1
134.02377	3.4
135.00751	4.5
135.02843	12.9
135.04430	4.0
137.02345	20.1
139.03807	4.1
147.00807	3.9
148.01570	59.4
149.02354	16.6
151.00253	22.4
152.01047	5.5
153.01784	4.2
159.04419	4.2
161.02365	18.1
162.01883	13.8
163.00278	11.5
163.03902	7.2
164.03407	19.4
165.01883	3.2
169.01373	5.9
173.02271	4.2
175.00310	9.1
176.00964	4.9
176.03375	4.5
177.01857	47.0
178.99817	14.6
179.03340	6.3
186.01884	13.6
189.01801	4.4
190.01317	7.9
191.01991	7.5
191.03511	6.9
192.00603	4.0
193.01294	5.0
202.99809	15.3
203.02010	6.2
204.02965	40.1
205.05028	6.7
214.01199	3.2
215.03450	4.0
222.04015	5.8
225.05458	5.0
227.03394	10.0
230.00836	26.8
243.02997	11.9
245.04607	5.4
253.01419	3.7
255.02927	10.8
267.02695	5.9
269.04306	8.9
271.02448	32.2
272.03046	11.2
273.03967	8.6
285.03922	6.7
287.01999	4.7
288.02576	5.9
294.04120	6.2
295.02039	4.9
296.05814	3.7
299.01941	42.4
300.02518	19.3
301.03275	3.6
309.79257	4.0
310.03458	5.4
313.03433	11.2
313.06161	5.2
315.04767	4.1
316.02139	12.7
317.02972	39.4
322.03680	20.0
325.05646	23.0
327.06775	6.2
329.06699	8.9
336.07172	5.1
339.03799	21.8
340.00830	5.8
340.04590	49.3
341.05148	5.6
354.08282	47.0
355.08536	6.3
357.04831	17.0
358.05634	27.7
380.06165	56.7
381.06375	6.1
403.32758	3.3
422.75458	3.4
431.05701	4.4
432.06689	8.6
447.12857	4.4
449.07120	25.4
472.08841	31.2
490.09930	100.0
490.30124	5.2
491.10373	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	490.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76692	2.0
59.01246	14.8
70.79308	4.8
71.01247	20.8
76.51856	2.3
79.65827	2.1
79.95638	2.4
85.02792	7.0
87.00768	3.1
89.02317	6.7
93.03325	7.2
96.95895	5.7
97.02831	5.3
99.00716	2.5
101.02301	5.1
103.00220	2.3
107.01258	3.0
109.02855	2.6
113.02306	9.0
115.00282	2.9
119.04887	3.3
121.02821	8.0
125.02333	7.3
133.02814	2.8
135.02898	5.3
135.04462	2.5
137.02264	4.1
139.03891	3.4
147.04445	2.4
149.02286	4.5
161.02309	5.9
163.03912	4.0
165.01842	15.9
169.01357	6.8
172.01691	2.4
173.02313	4.1
175.02353	4.2
175.03761	3.7
176.00974	3.9
177.01530	2.9
185.02388	2.7
189.01820	4.9
190.02690	2.4
190.99751	3.0
191.03421	7.2
191.05302	3.1
193.01317	9.5
200.01057	7.4
201.01848	5.3
203.03432	3.8
209.04390	2.6
216.00467	3.2
217.01328	8.6
219.02968	2.6
226.02617	3.5
227.03607	4.5
228.00609	3.5
229.01332	6.5
230.02026	3.2
241.01320	3.2
242.02022	2.7
242.99258	9.6
243.02997	18.8
244.00087	3.2
245.00865	29.9
246.01178	3.0
247.02443	5.5
248.51146	2.7
254.02074	2.7
255.02921	9.1
256.03726	6.4
259.06073	2.8
259.99567	6.2
261.00381	5.0
268.02490	4.1
269.00937	2.9
270.98770	44.0
271.02393	18.6
271.99481	14.4
272.02869	4.2
272.97577	4.6
273.00400	58.7
274.00922	7.8
275.01682	2.9
283.99600	6.7
285.00421	7.4
287.02032	2.8
287.05368	3.0
295.01099	9.5
296.01917	10.7
298.98318	76.8
299.99100	71.9
300.02441	4.2
300.99832	45.0
301.99973	7.8
312.99402	12.9
314.03259	11.8
315.01456	6.1
315.05087	79.2
316.99417	13.4
321.99823	6.5
323.00189	2.7
324.01349	8.5
325.11792	3.0
328.99539	4.7
340.00885	11.5
357.01080	7.3
358.01834	4.2
379.02573	3.5
405.04666	7.1
406.05377	36.3
428.06149	7.6
432.03314	64.4
433.04004	43.5
434.04099	4.7
435.04898	3.7
441.56464	2.6
445.04184	4.4
446.07144	10.4
450.04037	9.8
472.05157	36.2
473.05328	5.8
489.15784	2.8
490.06137	100.0
491.07947	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	489.3584
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.03319	1.6
58.00443	0.2
59.01239	0.6
66.05715	0.2
70.16359	0.4
70.16771	0.3
83.81781	0.2
83.92344	0.1
98.20416	0.2
127.06599	0.1
196.03329	0.1
355.29977	0.2
385.31079	0.4
397.30759	0.2
411.32312	0.2
427.31976	0.6
429.33856	1.5
430.33987	0.2
431.31738	0.4
439.65637	0.2
442.62634	0.2
485.53406	0.2
489.35742	100.0
490.36124	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	489.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05020	0.5
59.01242	2.7
61.98699	0.8
63.22056	0.6
65.00183	2.5
68.99683	1.3
70.45446	0.5
70.66206	1.6
97.02828	1.9
121.02867	1.2
124.01543	7.2
137.02353	0.9
137.09686	0.8
139.03908	10.7
149.99481	1.1
152.01071	7.1
165.01837	10.4
175.03993	0.6
177.01851	1.7
184.05171	0.8
223.13373	1.0
225.05473	2.6
226.06297	8.9
227.06963	1.9
253.05022	3.1
253.21680	1.2
254.05798	8.2
255.06281	0.8
269.08179	58.8
270.08490	5.4
327.90158	0.7
328.31262	0.7
389.24991	0.8
440.32346	0.6
488.34686	3.0
489.26477	100.0
489.34970	9.5
490.26797	16.1
490.33899	1.4
490.36731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.359
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
57.03316	1.3
59.01004	0.2
59.01248	2.0
61.98705	0.3
69.79279	0.6
69.79688	0.9
71.01229	0.3
71.04898	0.6
83.04914	0.3
85.02785	0.3
89.61866	0.3
97.06465	0.4
98.20552	0.3
109.40094	0.3
123.08081	0.3
269.08212	1.2
367.30014	0.3
373.34872	0.4
381.31833	0.6
383.29694	0.4
383.33353	2.8
384.33420	0.4
399.32288	1.5
399.37045	0.5
400.33279	0.4
415.35849	1.0
417.37680	0.9
427.32089	0.7
443.35101	1.5
444.35678	0.3
445.36856	3.8
446.37170	0.7
471.34976	2.1
489.35809	100.0
490.36172	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	489.2128
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
51.93804	0.2
55.01694	0.4
57.03236	0.2
59.01157	1.7
64.36963	0.3
71.01157	7.5
71.01598	0.7
73.02720	2.4
73.03156	0.3
75.00665	0.5
83.01152	0.9
85.02717	3.3
87.00670	0.3
89.02230	0.7
90.65988	0.2
93.03252	0.5
95.01147	0.8
97.02715	0.2
99.00744	1.3
101.02317	4.4
109.02766	0.4
113.02314	3.8
119.04913	4.5
121.02704	0.8
122.03630	1.3
124.01459	0.3
125.02216	0.4
134.03554	0.6
135.04411	5.5
137.02213	0.4
143.03340	0.4
147.04416	5.7
148.05194	9.0
149.05817	0.5
152.99414	0.3
159.02794	1.1
159.04123	0.3
161.04373	4.6
161.05861	20.5
162.04810	0.5
162.06281	1.7
163.03825	0.5
163.07571	3.9
164.07776	0.3
178.54671	0.2
179.03416	1.1
191.06929	0.8
193.08537	0.5
206.07596	0.4
206.09406	6.9
207.09811	0.4
218.04102	0.2
221.11772	3.5
229.22433	0.3
299.99219	0.4
300.99854	0.5
308.94177	0.3
312.13654	5.1
313.13910	0.7
327.15979	100.0
328.16321	11.7
328.36987	0.3
488.34586	5.0
489.21204	0.8
489.35083	9.2
490.22018	0.5
490.35257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.6
57.03318	2.4
58.00471	1.7
59.01249	24.6
61.98689	0.4
62.68200	0.3
67.01738	0.3
69.03320	0.6
69.18803	1.3
69.19230	2.0
71.01251	31.3
71.04859	0.3
72.01588	0.3
72.99187	2.3
73.02816	10.1
75.00732	1.5
81.03336	0.4
83.01254	6.6
83.04910	0.3
85.02822	15.4
85.99960	1.3
86.03159	0.7
87.00751	2.0
89.02314	8.6
91.05399	0.6
93.03327	1.2
95.01270	2.7
97.02814	1.3
98.19839	0.6
99.00166	0.5
99.00745	4.6
101.02322	25.6
102.02651	0.6
102.98454	1.4
107.04935	1.8
108.02073	1.5
109.02813	0.9
111.00745	1.2
113.02332	12.7
119.03399	3.6
119.04897	2.0
121.02834	2.0
122.03622	1.6
123.04388	0.4
124.44765	0.3
125.02302	1.1
129.01843	0.5
131.03366	0.6
133.99380	0.3
134.03604	1.0
135.04396	4.4
137.02299	0.9
141.01811	0.6
143.03374	0.7
147.04404	1.2
148.05208	3.0
149.06021	2.0
159.02928	1.6
159.04297	0.4
161.04480	5.9
161.05867	0.8
163.07581	2.2
165.09058	0.4
174.03084	0.5
175.03949	0.9
177.09117	0.4
179.05647	0.4
182.05806	0.5
188.08327	0.7
189.09113	0.4
196.05164	0.4
206.09431	2.7
207.10193	1.9
212.04747	0.4
219.06558	0.7
221.11748	1.7
225.05565	0.8
227.07094	2.8
240.07861	0.7
244.03635	0.4
255.10184	0.3
267.10266	0.4
267.16104	0.7
271.02502	0.8
283.16885	0.4
284.10635	0.6
295.13394	5.1
296.13513	0.6
298.12540	0.3
299.01920	1.2
309.14896	0.7
312.13806	0.8
313.14462	9.4
314.04309	1.2
314.14807	1.0
315.05090	0.5
327.15997	62.2
328.16315	7.6
369.17169	0.7
371.24377	1.6
444.32053	0.4
445.32379	1.3
488.31113	0.4
489.21295	100.0
489.31363	5.3
490.10818	0.6
490.21671	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	14.9
65.00166	1.0
69.99251	2.3
71.01252	11.5
72.99163	0.8
73.02831	1.5
75.00741	1.2
79.13306	0.7
83.01265	1.5
84.94766	0.6
85.02351	0.6
85.02799	3.6
87.00741	1.9
89.02319	7.5
91.01775	1.4
93.03345	1.3
95.01229	0.9
96.95832	1.1
99.00776	1.0
101.02306	6.6
102.01834	1.0
108.85521	0.7
113.02329	4.0
119.01259	6.2
119.03354	1.3
119.04916	1.3
121.02859	3.9
121.04955	4.8
125.02346	1.2
132.02063	1.0
134.03622	1.4
135.04402	2.4
137.02332	0.8
139.03893	0.7
147.00783	3.9
147.04433	1.4
149.02342	25.3
149.04347	1.1
150.03064	1.3
151.03951	0.8
152.01022	1.2
161.02364	0.7
161.04454	0.8
162.03192	0.8
163.03966	3.8
164.04691	22.4
165.01831	2.2
165.05136	1.2
175.00278	39.5
176.00732	1.1
179.03412	0.9
179.07080	2.6
183.02890	1.3
189.01752	0.7
190.02637	100.0
191.03058	6.7
192.04044	0.7
195.48994	0.7
205.04994	97.0
206.05357	6.8
208.03665	1.2
209.04480	2.4
221.08127	1.1
223.06059	41.3
224.06400	2.4
255.31480	0.6
265.07117	5.5
283.10370	0.8
295.08072	0.8
300.99918	0.8
305.54837	0.6
325.09378	0.8
367.09973	0.8
451.87463	0.6
474.13824	1.0
489.16095	83.2
490.16431	9.8
507.99866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
57.03328	3.8
58.00469	5.5
59.01248	100.0
61.98698	4.7
64.88091	2.0
67.30460	1.8
67.81720	1.9
69.03329	6.8
71.01253	96.2
71.51293	1.9
71.51733	1.8
72.01588	2.3
72.99184	8.6
73.02818	14.6
75.00745	23.6
81.03310	2.8
83.01253	5.6
85.02820	19.4
85.99951	2.4
87.00724	8.9
87.04393	2.1
89.01764	3.7
89.02313	75.0
95.01271	5.1
97.02832	7.4
99.00768	8.1
101.02317	57.8
109.02829	9.4
111.00727	2.4
113.02319	30.1
113.99483	8.7
115.00239	5.5
117.03360	7.8
119.03391	37.1
119.04869	3.7
120.99547	3.8
123.08084	2.4
125.02342	34.3
126.02669	2.3
131.03394	10.5
133.71509	1.8
135.02878	3.7
135.04411	17.7
143.03401	11.5
145.02852	26.9
149.04443	3.0
151.03889	7.2
159.03044	2.3
160.03758	2.7
161.02335	3.3
161.04474	15.2
163.03925	6.0
163.07568	2.7
165.09117	77.9
166.09431	3.6
169.01241	2.9
174.03049	4.1
175.03941	6.7
179.05490	18.3
183.10170	3.8
191.10651	1.8
193.01370	2.1
207.10237	4.7
221.06618	23.8
237.06125	2.5
241.08807	2.9
245.06392	2.5
263.07715	8.2
267.12347	21.0
267.15952	10.0
268.12509	2.5
279.07059	5.1
303.01645	2.0
323.09860	17.3
323.13452	3.8
325.03229	5.4
326.03427	9.7
327.04071	4.4
336.06961	29.2
337.08194	2.8
371.24368	3.6
380.86609	2.1
396.75302	1.8
429.21631	2.7
489.10229	10.1
489.17743	7.4
489.23312	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.7
59.01252	18.3
61.72890	1.3
65.00199	1.5
71.01256	14.6
71.05893	2.8
72.47633	1.4
72.99161	2.0
73.02814	2.2
73.14402	1.0
74.21468	1.0
75.00766	1.8
83.01251	1.3
85.02828	3.8
85.79258	1.2
87.00749	4.3
89.02319	11.7
89.48314	1.1
93.03313	2.4
95.01256	2.0
96.95882	3.3
99.00770	1.8
101.02331	11.7
105.48065	1.5
109.02888	2.1
112.24490	1.1
113.02354	5.7
116.00808	1.1
117.03352	2.7
119.03384	4.0
119.04880	3.6
121.02834	2.4
123.00768	1.8
124.94508	1.6
125.02341	3.6
125.15368	1.1
131.03381	1.8
132.02078	11.2
133.02835	3.2
133.05019	1.6
134.03642	36.3
135.04448	3.0
137.02333	2.1
139.03871	1.7
143.03436	1.6
147.04379	2.1
149.02353	6.8
149.06042	5.7
151.03908	1.4
151.05992	1.5
160.01572	60.6
161.02121	3.5
161.04460	4.2
163.03894	4.5
164.04695	3.9
165.01823	1.8
165.05449	2.4
169.01331	1.9
174.03091	1.3
175.00362	9.1
175.03917	66.1
176.01086	2.8
176.02885	1.1
176.04469	7.2
177.01797	3.8
177.05501	2.0
178.02647	1.8
179.03377	3.0
179.05560	2.8
185.75121	1.3
190.02675	17.1
191.03333	3.9
191.05475	2.3
191.07068	6.0
193.05002	49.2
194.05301	3.6
205.04994	18.9
207.06480	3.4
220.03752	1.7
223.06104	9.3
235.06068	23.7
236.06433	1.4
265.07086	6.4
295.08032	5.5
300.99854	3.1
327.08768	4.0
337.09274	3.2
355.10184	1.4
357.15515	4.7
429.21088	1.5
489.16162	100.0
490.16483	14.0
500.98419	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	489.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.5
61.25165	0.5
61.98682	0.7
66.10265	0.4
67.01733	0.5
69.68407	2.7
71.01257	4.8
72.99184	1.0
73.02829	1.3
75.00752	1.1
79.95609	34.6
83.01260	0.6
85.02823	2.7
87.00752	0.6
89.02320	2.2
93.03344	1.7
95.01242	0.7
95.95128	1.7
96.95890	100.0
98.95466	2.0
99.00761	0.8
101.02303	3.2
109.02848	1.3
110.97449	1.6
111.00760	0.6
113.02318	1.6
115.03953	0.7
119.03444	0.8
119.04917	14.0
120.05236	0.8
120.99529	0.7
124.01563	1.8
125.02360	2.5
127.09591	0.5
131.07047	2.3
135.04411	0.6
137.02345	0.8
139.00351	0.9
141.95662	3.4
150.03146	0.6
152.98521	0.5
155.03366	0.6
159.04448	1.0
161.02339	0.9
161.04433	1.4
163.03922	31.6
164.04315	1.1
165.09123	0.5
169.01335	1.2
173.04494	1.3
174.01552	0.7
175.03894	0.7
179.05595	1.0
191.03752	0.9
191.05548	12.6
192.05893	0.6
195.06615	0.7
221.10046	0.8
227.03545	0.6
239.07138	0.9
259.02896	0.5
270.08902	0.6
271.05972	0.7
278.05798	0.6
285.11301	0.7
297.07736	1.0
300.99695	0.5
313.10635	0.5
315.05048	1.5
316.06223	0.9
327.08862	1.5
329.10339	1.7
337.09299	15.3
338.09555	1.3
345.09579	0.7
348.05161	0.6
357.15485	1.0
359.11569	2.5
360.11847	1.3
391.14276	0.7
395.07999	1.2
401.16357	2.2
413.09027	1.3
424.08487	0.7
425.09189	2.3
427.10992	0.6
438.09677	0.6
439.10950	8.4
440.11099	1.1
441.08463	1.4
455.10165	1.6
456.10663	0.8
457.08078	2.1
471.09613	1.8
489.10550	6.9
489.19818	4.2
490.11188	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	22.6
65.48173	2.4
69.29246	5.0
69.29655	17.8
71.01251	100.0
72.99180	30.0
75.78452	2.4
83.58249	2.5
83.72896	2.6
85.02824	6.9
87.00748	24.0
89.02303	12.0
93.03328	5.7
94.37270	2.3
95.01256	2.5
101.02312	3.4
108.02133	3.9
108.64796	2.4
113.02310	5.0
115.00249	28.7
119.03421	6.0
119.04919	20.1
125.02358	2.9
129.01826	19.9
135.04446	5.0
146.04517	5.5
147.02893	84.7
147.04718	5.0
147.06531	14.2
148.03281	3.5
161.02303	5.3
163.03915	15.3
179.05539	8.1
185.09691	2.8
191.05569	15.8
210.06886	3.3
211.07578	19.3
237.09169	7.8
239.10747	6.8
301.76965	3.1
315.07422	5.0
341.10889	29.6
402.76398	2.3
427.70422	2.8
489.14133	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	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01245	0.8
59.98400	0.8
60.24567	0.6
60.75480	0.5
60.99181	1.1
71.04890	9.8
71.08493	1.0
79.84420	0.5
88.87421	0.5
92.30862	0.4
95.04904	0.6
105.13453	0.4
105.34638	0.5
137.09694	0.6
147.98268	0.6
278.02173	0.5
307.22629	0.5
316.24515	0.5
324.02792	2.1
325.03510	1.4
330.15878	0.5
369.28085	0.7
371.29556	4.5
407.33145	2.4
409.31006	1.2
415.35864	0.6
423.32578	3.0
425.34302	4.3
426.34592	0.7
441.33319	0.6
453.33844	0.8
457.32452	1.7
467.31708	2.0
469.33246	13.2
470.33627	2.6
482.63788	0.5
487.34299	100.0
488.34708	15.6
513.32062	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	489.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.4
67.01766	1.1
67.06545	0.7
69.03316	0.8
69.33459	7.1
71.01250	6.4
74.82845	0.8
79.01738	1.2
81.03323	0.9
83.01266	1.0
84.11496	0.8
85.02831	1.1
97.02833	1.0
98.19864	1.7
101.02292	2.0
107.01266	9.3
109.02827	1.8
111.00771	4.9
121.19760	0.8
123.00774	7.2
124.01524	3.8
125.02337	52.0
126.02659	1.9
127.00219	0.9
131.04919	5.8
136.98680	2.6
139.00241	4.7
140.01057	7.0
141.01787	0.8
147.04446	2.0
151.00301	6.1
159.04480	0.8
167.03365	1.4
168.00565	12.1
169.01338	82.7
170.01726	3.9
171.04330	0.9
173.02275	3.9
174.03139	92.0
175.03918	100.0
176.04274	5.8
177.01830	1.6
181.01286	0.9
184.63641	0.8
187.03935	7.0
188.04602	1.1
189.05455	1.3
199.03970	1.9
200.04727	4.4
201.05423	1.7
211.02411	29.1
212.02762	1.0
217.05023	19.5
218.05336	1.3
229.05006	16.2
230.05406	1.0
241.03520	7.7
247.06068	1.3
271.04584	54.1
272.04944	3.5
283.09961	1.0
297.06082	2.3
301.05710	9.1
302.05746	1.0
313.05646	46.6
314.05988	4.0
331.06625	7.3
489.10361	52.5
490.10742	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99163	1.0
69.25185	0.2
71.26672	0.3
71.27022	0.5
87.75204	0.2
93.80663	0.3
103.12708	0.2
109.07394	0.3
128.47803	0.3
147.40546	0.3
215.14355	3.9
216.14633	0.3
257.19031	0.7
379.30020	4.9
380.30344	0.7
395.33124	1.1
409.31134	3.3
410.31580	0.5
423.32846	0.3
425.34290	5.9
426.34570	0.6
441.33389	0.8
453.29999	0.3
469.33179	1.2
487.34259	100.0
488.34604	16.0
488.41821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.5
59.14320	0.2
60.99165	0.9
67.41474	0.2
71.07459	0.4
83.04916	0.3
84.11510	0.2
87.78956	0.2
102.06886	0.2
115.88888	0.2
134.01280	0.2
205.57387	0.2
268.23911	0.2
291.68542	0.2
294.60748	0.2
306.68991	0.2
308.71359	0.2
324.02988	0.4
325.03427	0.3
391.30194	0.3
395.33331	0.5
409.31366	0.4
425.34259	0.7
441.33676	1.7
442.34265	0.3
443.35175	0.3
469.33093	1.6
473.33331	0.2
487.34271	100.0
488.34607	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91361	0.2
59.01265	0.3
60.99173	1.0
64.64744	0.2
70.36102	0.2
70.36438	0.8
105.59808	0.2
106.22028	0.2
241.15886	0.3
324.02756	0.5
325.03357	0.5
393.31808	0.3
395.33368	0.4
407.33377	0.3
409.77737	0.2
412.78879	0.2
425.34253	0.4
441.33688	5.6
442.34055	0.8
469.33136	1.5
470.33429	0.3
487.34271	100.0
488.34622	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
60.62122	0.3
60.99176	1.0
62.66246	0.3
97.06464	0.4
98.20592	0.6
98.65469	0.3
99.24310	0.3
134.98325	0.3
185.72505	0.3
247.17052	0.3
278.02338	0.3
311.89505	0.3
324.02838	2.1
325.03461	2.3
328.47134	0.3
391.30084	0.4
395.32925	1.8
397.34698	0.5
405.31857	0.5
407.33350	0.7
423.32819	0.4
425.34210	1.1
441.33652	2.0
451.32782	0.3
453.33707	0.8
467.31647	1.1
469.33487	1.4
487.34274	100.0
488.34641	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
64.82896	0.4
71.00114	0.6
71.00436	0.5
78.78508	0.3
84.49842	0.4
97.06476	1.0
100.30934	0.3
118.54914	0.3
120.66315	0.3
147.49492	0.4
191.14526	0.4
227.54871	0.4
325.03680	0.4
355.26462	0.9
391.29831	0.8
405.31631	1.0
407.33194	1.9
409.31018	0.6
411.32715	0.4
425.34119	1.0
439.31720	0.3
441.33716	3.5
443.31558	0.4
449.30542	0.4
451.32040	3.0
453.33716	19.1
454.34155	2.9
457.33127	1.5
467.31537	0.6
469.33069	1.4
482.39447	0.4
487.34268	100.0
488.34625	17.3
488.41846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00951	0.8
59.01236	1.2
60.99162	1.5
61.72918	0.9
64.74387	0.7
70.36751	2.8
71.04903	1.1
73.45113	0.7
86.63384	0.7
97.06480	4.0
128.85324	0.7
130.81757	0.7
158.64787	0.8
189.12712	1.5
191.14359	1.0
324.02750	5.3
325.03436	3.0
363.25214	0.8
369.65298	1.0
389.28577	0.9
391.30222	3.6
393.27826	0.9
405.31567	6.8
407.28061	0.9
407.33234	12.7
408.33600	1.9
409.31104	1.7
423.32922	2.7
425.34235	2.1
441.33719	13.9
442.34320	2.1
443.35248	0.9
449.30746	1.5
451.32172	20.1
452.32565	3.4
453.33734	100.0
454.34039	16.0
467.31738	2.9
469.33295	4.2
471.34796	1.0
485.32874	2.3
487.09253	2.6
487.34305	69.4
488.34750	10.3
497.32590	2.6
513.32391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
60.99177	0.8
70.97868	0.6
70.98200	0.5
86.11469	0.4
195.68990	0.5
275.63089	0.5
286.61157	0.4
395.32980	1.3
409.31161	0.8
469.33109	1.2
487.34271	100.0
488.34616	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27179	0.2
70.83727	0.6
76.51677	0.2
98.45883	0.3
282.38828	0.3
392.11832	0.3
407.29120	0.3
421.31155	1.5
425.95123	0.3
439.32156	0.4
487.34280	100.0
488.34628	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08310	0.6
147.85823	0.3
174.29362	0.2
218.52020	0.3
250.02718	0.3
271.44608	0.2
324.02740	1.1
325.03387	0.7
419.28952	0.4
421.31393	0.6
423.32712	0.4
425.33890	0.8
439.32581	0.5
457.32117	0.3
469.09003	0.3
469.32932	0.6
487.34244	100.0
488.34641	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77531	0.2
53.99604	0.2
56.41211	0.3
61.47693	0.2
63.61023	0.2
64.50747	0.3
70.84016	0.3
70.84334	0.5
70.86610	0.3
73.86664	0.2
77.36670	0.2
77.58343	0.2
81.09921	0.2
91.24888	0.2
163.39017	0.2
211.16913	0.2
421.30984	0.5
487.34271	100.0
488.34622	18.0
491.88751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.46390	0.2
52.24395	0.2
57.03323	0.4
58.00469	0.6
59.01245	2.4
60.99170	1.1
69.20822	0.4
69.21221	1.7
71.01260	1.1
73.02814	1.8
79.05411	0.2
89.02332	0.8
94.94656	0.2
97.15956	0.2
98.19770	0.5
101.02291	0.4
107.04908	0.4
109.06480	2.5
109.98426	0.2
119.03413	0.4
159.49643	0.2
173.54019	0.2
174.03146	1.1
187.03932	0.3
200.04840	0.2
209.06052	0.3
211.03926	0.3
222.03146	0.5
225.05511	0.4
227.06969	0.2
240.07919	0.4
250.02728	0.4
260.30316	0.3
265.08450	0.3
271.02448	0.4
274.09964	0.2
277.08524	1.1
278.02359	0.6
289.12314	1.2
291.10239	0.7
292.10895	0.4
299.02017	0.7
299.99213	0.2
306.12540	0.4
307.02505	0.8
307.13379	7.3
308.13889	0.8
314.04440	0.8
324.02686	4.0
325.03412	3.4
326.03702	0.4
351.27029	0.7
369.28131	0.3
377.28625	0.6
385.27634	0.3
391.30164	0.3
393.31708	1.5
401.18860	0.3
401.27139	0.5
405.31805	0.4
407.33270	0.6
423.32813	2.8
424.32736	0.5
425.34900	0.3
435.29425	0.4
437.30524	1.6
439.32339	0.7
441.33978	0.4
442.34235	0.2
443.34644	0.6
455.31488	1.7
467.31799	2.2
467.59409	0.2
468.31949	0.3
469.33618	3.1
470.33746	0.3
485.32596	0.5
487.08981	2.5
487.20279	2.3
487.34354	100.0
488.09338	0.7
488.20056	0.6
488.34735	13.5
513.32092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.3
58.00454	0.3
59.01259	1.2
61.98696	0.8
62.49351	0.2
65.90173	0.2
71.01245	0.3
78.95774	0.8
83.04896	1.1
96.96837	0.4
97.06461	0.4
101.02238	0.3
107.04899	0.4
109.06510	1.1
125.33553	0.3
145.01158	0.2
157.70975	0.2
174.03152	0.2
177.01857	0.8
191.83786	0.2
222.03197	0.6
240.04239	0.4
250.02704	0.5
266.09442	0.3
267.10318	0.7
275.20181	0.5
278.02103	1.1
279.02942	0.3
307.02509	1.2
324.02716	6.2
325.03479	5.2
325.14410	0.5
326.04318	0.3
326.14832	0.3
377.28735	0.6
393.31738	1.3
395.29471	0.5
409.31219	0.8
415.32202	0.4
423.32733	2.5
424.33566	0.3
425.30356	1.2
427.32260	1.7
428.32532	0.4
437.30829	0.3
439.32443	0.3
441.33859	2.5
442.34082	0.3
443.35809	1.6
457.32980	0.3
467.31876	0.3
469.33685	1.2
475.20520	0.3
487.08972	3.4
487.34335	100.0
488.08884	0.7
488.34662	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74800	0.2
64.66179	0.2
67.18953	0.2
70.88929	0.5
70.89257	0.5
75.54607	0.3
107.94116	0.3
123.28408	0.3
130.39366	0.3
183.83102	0.3
199.30605	0.3
202.96060	0.3
370.49841	0.3
435.35529	0.3
454.57532	0.3
469.32855	0.9
487.34244	100.0
488.34595	16.8
488.41647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33051	0.3
61.78138	0.3
64.25739	0.3
84.91196	0.3
178.25560	0.3
278.02133	0.4
292.03891	0.3
307.06058	0.4
324.02765	1.3
325.03271	0.7
335.05670	0.9
359.97708	0.3
409.30978	0.5
423.32202	0.4
425.30554	0.4
427.32181	2.6
469.33163	4.0
470.33368	0.7
487.34274	100.0
488.34625	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00383	1.0
59.01173	0.6
63.15145	0.5
71.08340	0.8
73.02727	0.6
97.06329	2.0
97.43274	0.5
147.43633	0.4
153.09003	0.7
190.19608	0.4
220.35547	0.4
324.02649	0.6
325.03128	0.5
356.44666	0.4
369.68930	0.6
371.27554	0.6
381.28043	0.5
387.30701	0.8
389.28470	5.4
390.29010	1.0
393.31238	0.6
401.91464	0.5
403.30142	0.7
405.31735	1.0
406.28824	6.7
407.29388	2.6
421.31326	4.8
423.32697	17.5
424.32922	3.1
439.28262	1.3
455.31451	0.9
457.33392	0.6
467.31909	0.9
469.33200	100.0
470.33545	18.3
487.34290	94.6
488.34625	16.3
490.58926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74800	0.2
64.66179	0.2
67.18953	0.2
70.88929	0.5
70.89257	0.5
75.54607	0.3
107.94116	0.3
123.28408	0.3
130.39366	0.3
183.83102	0.3
199.30605	0.3
202.96060	0.3
370.49841	0.3
435.35529	0.3
454.57532	0.3
469.32855	0.9
487.34244	100.0
488.34595	16.8
488.41647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
70.52493	0.6
70.52838	0.3
76.78280	0.2
121.09928	0.2
138.31238	0.2
141.12357	0.2
171.22447	0.2
219.96060	0.2
220.11861	0.2
278.25931	0.2
282.59802	0.2
361.70886	0.2
384.84436	0.3
391.29684	0.3
409.31064	0.8
473.30664	0.2
487.34268	100.0
488.34622	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
58.00453	0.1
59.01248	0.2
61.98699	0.1
71.01234	0.1
71.51874	0.1
71.52259	0.1
73.02814	0.1
83.04874	0.0
85.02806	0.1
89.02330	0.1
90.31547	0.0
101.02343	0.1
126.81911	0.0
159.04367	0.1
164.50772	0.0
174.03093	0.1
186.63983	0.0
190.02502	0.1
205.04984	0.1
222.03253	0.1
250.02724	0.1
265.14560	0.1
278.02145	0.2
279.02853	0.1
307.02484	0.2
324.02725	1.2
325.03406	1.0
325.14383	0.2
326.03613	0.1
363.26859	0.2
375.27213	0.1
377.28705	0.1
379.30124	0.3
380.30740	0.1
391.30148	0.2
392.30356	0.1
393.31558	0.1
407.29453	0.1
409.31128	1.1
410.31442	0.2
417.27951	0.1
421.31155	0.3
422.31485	0.1
487.34259	100.0
488.34595	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	1.8
59.01255	0.7
71.01246	0.6
75.11265	0.5
88.86704	0.5
91.72098	0.5
95.54222	0.6
97.06449	1.6
99.45731	0.5
113.41140	0.6
115.07279	0.5
116.36840	0.6
128.50056	0.6
131.05600	0.5
149.81078	0.5
153.09143	0.6
387.30743	1.2
389.28464	4.3
390.28705	1.0
405.31879	0.9
406.28629	5.0
407.29517	3.3
421.31195	3.1
423.32684	13.8
424.32855	2.0
439.28610	1.5
469.26239	1.4
469.33203	70.0
470.33505	12.0
487.34290	100.0
488.34589	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	487.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.1
59.01246	0.5
61.98688	0.1
71.01260	0.4
71.51278	0.1
71.51703	0.1
72.02995	0.1
72.99191	0.1
73.02837	0.2
75.00741	0.1
78.95758	0.1
82.80830	0.1
85.02828	0.2
89.02324	0.3
96.95901	0.1
101.02327	0.3
113.02347	0.1
114.53625	0.1
119.03339	0.1
125.09606	0.1
129.70766	0.1
136.34390	0.1
145.02892	0.1
149.04445	0.1
161.04466	0.1
207.02916	0.1
212.04709	0.1
222.03198	0.3
223.03836	0.1
245.56349	0.1
250.02698	0.2
253.04971	0.1
265.04919	0.1
270.98734	0.1
278.02078	0.3
279.02808	0.2
280.03705	0.1
280.07242	0.1
293.04660	0.4
294.04617	0.1
299.98807	0.1
300.99936	0.1
307.02701	0.3
324.02725	2.2
325.03455	1.6
325.14206	0.1
326.03854	0.2
355.21457	0.2
369.22818	0.2
469.33325	0.2
487.09937	1.0
487.34259	100.0
488.08893	0.2
488.34604	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.9
57.03326	5.5
58.00444	2.4
59.01249	53.0
61.98699	41.7
69.03317	1.1
71.01248	27.2
71.04879	1.8
71.51247	1.0
71.51614	1.1
72.01554	1.0
72.99165	2.6
73.02813	9.7
74.98956	1.4
75.00735	2.1
77.23122	1.0
83.01237	3.3
83.04887	3.9
85.02823	11.9
87.00751	11.8
89.02307	7.5
93.03331	2.5
95.01257	2.7
95.04882	1.9
97.02846	1.4
97.06448	3.5
99.00739	3.3
101.01708	1.6
101.02317	20.3
107.04918	4.9
109.02822	2.5
111.00764	1.4
113.02324	9.1
117.03351	3.3
119.03378	1.8
119.04852	2.0
120.05680	3.9
120.99519	1.3
122.03596	1.4
123.04413	1.9
125.02318	2.3
131.04890	1.0
133.02835	1.1
133.10120	1.1
133.73643	1.1
135.04387	5.3
135.08055	1.7
137.02330	1.9
141.01794	1.6
141.05479	1.3
143.03354	1.8
145.02858	12.1
147.04391	3.7
149.02341	6.7
149.05984	1.6
150.03123	12.3
151.00282	2.0
151.03830	2.4
152.04749	2.1
158.03658	6.2
159.02971	2.0
159.04404	5.4
161.02335	4.6
161.04456	9.3
161.09633	18.6
161.13269	10.5
162.03065	2.3
163.03882	4.8
163.11165	2.4
164.04707	1.7
165.05464	18.4
167.03284	1.1
169.01317	2.1
173.02399	1.8
173.04434	2.4
174.03084	4.2
175.03909	19.7
177.01854	2.2
177.05533	1.7
179.03300	1.3
179.10588	2.4
180.04073	3.5
183.04436	2.8
187.09570	2.1
187.11197	31.1
188.11476	2.3
189.01912	1.3
189.09138	13.6
190.49826	1.1
191.05566	2.5
192.96306	2.6
193.04955	1.4
195.06526	15.6
196.05122	1.8
196.06915	1.0
197.05949	1.5
199.04066	1.3
201.05391	1.5
205.04898	1.1
205.12260	13.1
206.12711	1.4
207.10165	6.2
207.13646	1.2
217.00916	1.0
222.03191	11.3
223.03358	1.2
223.13306	2.3
225.05524	2.4
231.10258	1.6
235.03951	2.0
237.09718	14.9
239.03394	2.6
240.04195	4.0
241.04814	1.7
249.11224	5.8
250.02663	14.2
251.03194	2.1
252.04294	1.7
253.04956	4.5
265.14398	1.5
267.02942	1.6
267.12350	8.8
278.02161	18.0
279.02869	9.0
279.11057	1.8
280.03345	1.6
281.04434	2.5
289.11130	1.2
295.02643	1.9
296.03079	2.5
299.98950	4.2
300.02203	1.2
300.99725	3.9
306.01669	1.9
307.02484	17.1
307.05829	2.1
308.02924	3.5
323.01901	2.4
324.02713	100.0
325.03442	81.1
326.03821	7.6
343.13910	2.3
369.22617	1.6
422.68179	1.0
487.02206	2.9
487.08850	58.0
487.21667	88.9
487.33981	6.6
488.09125	8.0
488.21948	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45247	0.7
59.01247	4.1
69.57082	4.3
71.01249	4.2
73.02809	0.9
76.39719	0.6
85.92358	0.6
89.02319	4.0
93.54971	0.6
96.95949	0.8
101.02328	2.3
111.00787	0.8
113.02317	1.5
119.03400	1.0
123.00795	1.0
123.04358	0.6
125.02330	2.3
134.03647	1.5
137.02328	1.3
145.02861	2.2
147.04395	0.8
149.06050	1.0
149.21909	0.5
151.03925	0.6
159.04419	3.0
160.01598	2.2
161.02341	4.3
162.03227	1.4
163.03856	0.7
169.01321	3.2
174.03104	1.5
175.03918	12.4
176.04527	1.0
177.05487	100.0
178.05887	3.7
179.05482	1.1
187.03935	2.2
189.05528	1.3
191.03351	0.7
191.05536	1.4
193.01373	1.4
193.04991	7.1
199.70256	0.7
203.03479	2.3
205.04991	14.8
205.06866	1.2
206.05276	1.8
215.03479	3.3
217.04984	4.2
219.06538	3.2
233.04552	2.2
235.06084	34.9
236.06430	1.7
247.06100	10.2
257.00955	0.7
265.07129	3.6
289.07364	2.8
300.99844	1.1
307.08160	1.9
337.02341	0.9
436.02255	0.7
436.84711	0.6
487.14401	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15742	0.5
56.91505	0.7
57.03328	0.7
59.01250	5.7
61.17860	0.5
61.98692	0.9
69.44904	3.7
71.01254	8.3
72.99191	0.9
73.02817	1.6
83.01238	0.9
85.02821	1.6
87.00758	1.1
89.02313	4.4
93.03344	0.9
95.01225	0.9
96.95877	1.4
98.20509	1.2
99.00756	2.0
101.02285	3.3
108.30382	0.5
109.02838	0.8
111.00772	1.1
113.02283	2.9
119.03348	1.6
123.00771	0.7
125.01424	0.5
125.02322	1.2
131.03366	0.7
131.04887	0.9
134.03606	2.7
135.04393	1.1
137.02315	0.6
145.02846	0.8
147.04414	1.6
149.04497	1.3
149.05945	1.7
150.03108	0.7
151.03911	0.8
159.04384	2.8
160.01558	1.3
161.02325	3.4
161.04465	1.4
162.03036	1.4
163.03909	0.8
164.04677	0.8
169.01320	1.1
171.04428	1.0
171.31468	0.6
174.03050	1.2
175.03903	16.2
176.01050	0.5
176.04602	1.6
177.05484	100.0
178.05856	4.3
179.05544	1.4
187.03873	1.1
189.05507	1.1
190.02592	1.0
191.03369	0.7
191.05524	1.7
191.07051	1.5
193.04993	1.6
203.03494	2.2
205.04993	14.4
206.05260	0.7
207.98828	0.6
215.03490	2.6
217.05025	5.1
219.06639	2.9
220.03673	0.7
229.01308	0.7
231.02905	1.1
233.04507	1.5
235.06061	38.2
236.06432	2.1
247.06088	7.4
265.07159	4.0
275.01898	1.1
289.07169	2.1
295.08020	0.7
300.99985	1.2
381.01978	0.6
487.14853	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	487.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79774	0.4
57.03289	0.5
59.01246	2.6
69.32996	2.0
69.33421	1.9
71.01246	2.3
73.02808	0.5
75.00750	0.9
85.02819	0.8
89.02326	0.7
93.03333	0.9
96.95868	2.4
101.02322	0.9
107.04933	0.4
113.02306	0.9
115.01894	0.5
117.03359	1.4
117.79028	0.5
119.04912	61.9
120.05246	2.2
121.02880	0.6
123.04417	0.8
125.02322	0.8
125.12485	0.4
132.02057	1.4
133.02844	33.6
134.03596	1.8
135.04411	31.6
136.04724	1.3
137.02341	0.8
145.02858	1.6
147.04427	2.5
149.06004	1.2
161.02347	100.0
161.65211	0.5
162.02676	3.4
163.03918	21.9
164.04276	1.1
164.10603	0.5
173.05995	0.7
175.03896	1.1
177.01755	0.7
177.05461	2.5
179.03404	21.8
180.03874	0.8
182.84962	0.5
203.03456	0.6
221.04453	3.7
222.03221	1.2
250.02760	1.4
278.02209	2.0
279.03064	0.6
293.04742	0.7
299.99146	0.6
307.02579	2.6
307.08347	1.6
308.64587	0.5
323.07690	34.1
324.02725	11.8
324.07928	2.6
325.03461	9.2
325.06989	0.7
326.03952	0.8
341.08722	0.8
389.70523	0.6
443.13449	4.2
487.12720	51.2
488.12982	7.2
488.19400	0.6
498.17111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01374	0.3
51.64987	0.3
56.33997	0.3
59.01248	1.1
60.12960	0.3
64.93029	0.3
69.35016	2.9
71.01228	0.8
79.95605	8.6
80.96388	2.4
85.02840	0.4
89.02323	0.5
95.01263	0.7
95.95108	16.8
96.95888	100.0
97.02822	0.7
97.95793	0.3
99.00789	0.4
110.97453	0.7
116.52316	0.3
119.01280	0.4
120.99590	0.4
121.02865	0.4
122.97469	3.0
123.00777	0.9
123.04382	0.5
125.02310	1.4
134.03580	0.4
135.04401	0.7
136.01590	0.4
137.02353	1.0
141.01837	1.1
147.00716	0.3
147.04489	0.4
149.02335	1.3
150.03096	1.2
151.03912	1.4
153.05438	1.0
153.55730	0.3
161.02310	0.8
161.55655	0.3
162.03094	1.0
163.03848	1.1
164.04683	0.7
165.05482	0.9
169.01317	1.2
175.00240	2.4
177.01794	0.4
177.05467	0.8
181.04982	20.3
182.05322	1.1
187.18581	0.4
190.02649	5.7
191.03105	0.8
195.06494	0.8
196.07343	14.8
197.07674	0.5
205.05016	5.9
211.09691	5.7
223.06042	1.8
229.01424	0.4
258.01971	1.8
259.02725	0.6
275.02304	6.6
299.11642	0.5
299.99167	0.5
300.99747	0.8
391.02979	0.7
487.12650	31.6
487.18393	4.2
487.30600	1.3
488.13126	4.5
488.19150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57888	0.7
57.03307	1.3
58.00451	1.0
59.01253	27.2
59.88301	0.7
61.98680	3.4
69.03321	5.5
69.89893	4.2
70.79597	0.8
71.01254	19.0
72.99150	2.6
73.02791	2.4
74.98959	1.1
75.00720	2.1
79.95573	3.9
83.01229	2.1
85.02814	4.2
87.00726	2.4
89.02313	14.8
93.03313	1.5
95.01260	2.0
96.95889	14.6
96.96826	1.3
97.02834	1.2
98.02355	28.5
98.95467	2.1
98.96271	1.0
99.00790	4.9
99.01849	17.8
99.02646	3.7
101.02316	11.8
102.01832	1.1
107.01252	0.9
108.02016	2.9
109.02811	2.6
110.02374	1.9
111.00723	2.1
111.04374	1.6
113.02325	7.8
115.00224	3.3
115.91963	4.0
116.92692	2.3
117.03324	4.0
119.03400	5.2
119.04887	1.6
120.03764	0.9
120.26821	1.0
121.02816	2.1
122.02419	0.9
123.00721	2.5
123.04366	2.7
125.02310	3.7
131.03404	1.2
132.02010	1.8
133.02858	7.5
134.03632	55.2
135.02916	0.9
135.04340	8.7
136.01546	1.9
137.02339	4.6
139.07605	0.9
140.01051	1.7
141.01823	6.8
143.03278	1.2
145.02625	0.9
147.00798	0.9
147.04417	10.0
148.05200	5.7
149.02347	2.0
149.04430	1.3
149.05988	10.7
150.03015	2.1
151.00317	0.9
151.03851	2.6
152.00998	1.7
153.05409	1.4
153.09103	2.3
158.03564	2.7
159.04323	0.9
160.01549	14.5
161.02406	4.7
161.04417	2.6
161.05838	0.9
162.06702	1.1
163.03838	3.1
163.07465	1.3
164.04570	2.5
165.05400	1.9
169.01332	4.0
173.04625	1.0
173.05989	5.1
174.03030	1.7
175.03914	22.7
176.01186	1.5
176.04697	33.0
177.01865	7.9
177.05299	1.9
178.02611	6.0
178.17645	0.9
179.03322	1.2
179.05469	3.3
189.05444	1.1
191.03423	2.2
191.07053	40.2
192.04132	3.5
192.07358	1.9
193.04982	65.4
194.05267	3.7
195.04742	1.3
200.00990	0.9
201.01717	1.6
205.04897	1.4
207.04735	1.2
207.06555	15.9
209.04301	1.1
211.02231	1.2
217.01201	0.9
217.04895	1.4
219.06525	1.4
220.03717	7.1
221.08055	1.4
223.05978	1.3
229.01271	2.4
230.01591	0.9
235.06075	100.0
236.06500	6.1
237.14865	1.0
238.02567	2.0
245.00864	1.3
249.03735	1.0
257.00845	1.1
264.15814	2.8
265.04446	1.1
265.07104	18.3
265.16357	1.7
266.02139	1.7
266.07419	1.6
270.98779	1.0
275.01721	2.5
277.04620	1.1
295.08234	21.7
298.98434	1.4
299.99078	14.3
300.99872	17.3
301.99951	1.0
311.09824	42.0
312.10138	2.0
321.03720	1.1
325.03586	6.4
337.09286	1.3
339.09760	1.2
355.10217	1.3
371.12296	0.9
376.89774	0.9
381.01529	2.0
381.52124	1.4
382.02649	4.3
391.02954	3.0
391.53149	1.5
411.02942	0.9
427.20688	0.9
433.04025	9.1
453.31317	1.0
455.11469	3.2
469.13348	2.3
487.14301	61.5
488.08084	3.0
488.14703	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.6
59.01244	7.9
61.98698	28.2
62.54145	0.3
62.98426	0.3
63.99143	0.4
67.01736	0.4
69.03330	0.3
71.01242	3.5
72.99184	0.7
73.02831	1.3
75.00719	0.5
83.01259	0.4
83.04885	0.5
85.02819	2.2
87.00735	1.6
89.02327	1.3
93.03323	1.1
95.01270	0.4
95.04897	0.5
97.06456	0.5
98.20637	0.3
99.00761	0.5
101.02319	2.9
107.04889	1.3
108.02048	0.4
109.02820	1.6
111.00750	0.6
113.02325	1.6
119.03413	0.4
119.04903	0.9
120.05675	0.7
123.00749	0.6
123.04387	3.4
125.02335	0.7
130.04126	0.6
131.04924	4.1
133.02818	0.5
133.22517	0.4
134.03619	0.6
135.04443	1.0
135.08052	0.5
137.02293	0.5
141.05353	0.3
143.03490	0.4
145.02893	0.8
147.04391	1.4
149.02391	0.3
151.00270	0.8
151.03960	1.6
152.01036	1.2
153.01869	0.4
158.03578	0.5
161.02391	0.7
161.04500	1.1
161.09654	2.4
161.13280	1.1
163.03894	0.4
163.07530	0.5
163.11266	0.4
165.01854	0.9
165.09137	0.3
166.02652	0.7
167.03392	3.6
168.72501	0.3
169.01266	0.4
173.02373	0.9
173.04556	0.6
174.03136	15.3
175.03912	100.0
176.01289	0.3
176.04265	5.2
177.01811	0.5
179.03378	0.9
179.10683	0.8
180.04207	0.6
181.04990	1.0
183.04443	0.5
187.03915	0.4
187.11197	3.2
189.01775	0.7
189.09109	1.7
190.02597	0.7
191.05443	0.4
191.07016	0.4
193.04942	0.4
194.02164	0.5
195.06569	1.2
196.05214	0.6
205.12277	1.5
207.10210	0.6
209.04443	5.4
211.03893	0.3
215.03346	0.4
217.01416	0.4
217.05000	0.5
222.03130	2.5
222.05284	0.8
223.03687	0.4
225.05595	0.6
229.05118	0.5
235.03925	0.5
235.06161	0.4
237.05623	0.3
237.09743	1.8
239.03452	1.1
239.05537	0.7
240.04175	1.1
249.11288	1.1
250.02707	3.4
251.03409	0.7
252.04065	0.6
253.04970	0.8
267.02942	0.5
267.12387	0.8
268.03458	0.5
269.06757	2.2
278.02170	4.1
279.02853	2.1
280.03433	0.4
281.04514	1.1
292.87585	0.3
293.04700	0.7
295.02338	0.8
295.05795	0.5
296.02972	0.4
299.98959	0.5
300.99820	0.8
301.11340	0.4
306.01874	0.5
307.02451	4.1
307.06110	1.5
308.03180	0.4
308.06766	0.7
311.07678	1.1
323.01901	0.3
323.05487	0.6
324.02713	26.6
325.03448	20.3
326.03873	1.6
333.07681	0.4
341.06583	0.6
343.13864	0.3
363.04846	0.5
369.22943	0.4
393.06134	1.3
445.09708	0.4
486.35138	0.9
487.09402	19.8
487.21393	11.3
487.34052	1.2
488.09671	2.6
488.21872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80139	0.2
56.49722	0.2
67.16135	0.2
71.01243	0.3
76.86781	0.3
91.82845	0.2
95.66743	0.2
96.95896	0.4
98.20566	0.9
119.04922	0.8
121.60075	0.2
133.02800	0.4
147.00870	0.2
161.02397	1.6
163.03928	0.4
171.57484	0.2
183.04416	0.8
196.05177	0.7
197.05994	0.5
207.48505	0.2
209.06059	0.4
211.03850	0.8
212.04701	0.5
222.03162	7.0
223.03821	0.7
224.04713	0.9
225.05550	1.3
229.50769	0.3
235.04002	1.1
236.04407	0.2
237.05475	0.6
239.03355	1.5
240.04202	3.0
250.02698	7.0
251.03464	1.7
252.04150	0.9
253.05028	3.4
254.05112	0.3
263.03357	1.2
267.02881	1.0
268.03671	1.0
278.02176	13.9
279.02887	5.5
280.03638	1.5
281.04565	2.6
295.02502	1.3
296.03207	1.8
297.41843	0.3
304.51434	0.3
306.01648	2.1
307.02460	11.9
308.02829	1.3
323.02023	1.6
323.07620	0.5
324.02716	100.0
325.03448	62.8
326.03818	5.0
335.01962	0.8
487.08765	32.1
488.09012	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	487.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
57.47322	0.4
59.01255	2.8
59.01521	0.6
69.77645	2.2
71.01250	2.7
73.02823	0.8
79.95578	0.4
81.36739	0.3
85.02806	1.3
87.00769	0.5
87.04385	1.0
89.02287	0.8
93.03340	0.6
95.01241	0.6
95.95087	1.2
96.95887	7.8
101.02308	1.1
108.02018	0.4
109.02828	0.7
111.00750	1.2
113.02328	1.1
119.01236	0.4
123.00777	1.8
124.01591	2.0
125.02333	0.9
132.02063	0.9
133.02849	0.7
135.04388	1.1
137.02333	1.0
139.03867	1.4
140.04239	0.9
143.03368	0.5
145.02844	1.7
147.00790	0.5
147.04466	0.7
149.02324	1.1
151.00291	0.4
152.00912	0.6
157.02826	0.9
160.01598	2.2
161.02304	1.2
161.04463	1.0
162.04738	0.6
163.00259	0.5
163.03920	1.0
164.04718	1.6
165.01633	0.4
169.01292	0.8
172.01543	3.2
173.02336	1.6
175.00247	3.6
176.01036	0.8
179.03429	0.5
181.04947	1.0
184.01500	0.5
185.02373	3.5
187.00227	0.9
188.01035	1.4
189.01813	0.7
190.02631	7.4
191.05453	0.3
196.07327	0.8
199.00317	0.7
200.01088	5.0
201.01819	2.8
201.11192	0.5
202.11638	0.6
205.04982	7.6
206.05350	0.4
211.09669	0.4
213.01828	0.7
213.86633	0.4
214.99762	1.2
216.00580	5.2
217.01219	0.7
223.06035	1.5
226.99879	2.2
228.00549	1.7
229.01331	5.8
231.14154	0.4
242.99303	5.1
244.00096	4.5
245.00858	1.9
254.99341	1.5
256.00049	1.8
257.00879	6.1
266.99319	9.3
267.99762	0.7
269.00800	0.4
270.98843	16.9
271.99423	4.2
273.00262	0.8
275.02246	0.7
280.00174	0.4
282.98761	3.2
283.99649	10.9
285.00281	2.9
293.00754	0.5
297.00491	0.5
297.97614	3.3
298.00864	0.7
298.94855	0.5
298.98322	19.7
299.99088	100.0
300.99850	85.7
302.00232	5.9
307.99622	5.2
309.00372	2.2
310.01117	0.9
310.98303	3.4
311.01932	1.6
311.99002	0.4
312.99655	0.9
321.00305	0.7
323.01889	1.0
323.99026	0.8
324.02722	0.5
324.99719	0.7
335.99106	1.1
336.99887	1.8
339.01492	2.4
363.98596	1.2
364.99118	0.9
367.00818	0.9
391.03204	0.5
395.00104	0.7
397.02063	0.7
407.00433	7.0
408.00671	1.0
410.99606	0.5
425.01471	8.3
426.01938	0.8
450.99365	0.5
469.00504	7.1
470.00748	1.0
487.01535	98.2
487.17935	6.8
488.01840	10.2
488.08994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
59.01247	38.0
61.98693	3.2
69.03320	2.3
69.90203	2.7
69.90615	4.4
71.01247	19.4
72.99182	2.6
73.02822	3.2
75.00745	1.8
78.95753	1.8
79.95616	2.1
80.59962	1.2
83.01240	1.6
83.04878	1.7
85.02831	5.8
87.00768	3.6
89.02314	19.3
93.03354	1.3
94.02851	3.7
95.01268	3.2
96.95885	21.5
96.96485	1.3
96.96840	5.0
97.02853	1.6
98.02353	100.0
99.00759	6.1
99.01882	11.0
99.02676	1.8
101.02312	11.7
106.82658	1.4
108.02036	1.7
109.02828	3.2
110.02384	6.9
111.00767	4.2
113.02334	8.4
115.00274	1.3
116.92606	1.4
117.03355	2.2
119.03368	6.6
119.42096	1.3
122.02379	3.8
123.00762	2.1
123.04419	1.4
125.02322	4.9
131.38184	1.2
133.02843	2.7
134.02596	2.5
134.03635	19.0
135.04395	5.0
137.02411	2.9
139.00275	1.8
139.07567	3.6
140.01041	2.3
141.01868	6.6
143.03477	2.5
147.04419	4.7
148.05171	1.9
149.05980	2.8
151.00308	1.5
154.13879	1.5
159.02904	1.8
160.01573	5.9
161.02298	1.8
161.04483	4.5
163.03925	2.4
164.03456	1.5
169.01355	3.9
173.02351	1.4
173.04478	2.7
173.05971	2.0
175.03925	9.4
176.04724	13.2
177.01823	3.1
178.02632	2.3
179.05496	5.9
179.06923	1.6
191.03386	1.4
191.07048	17.0
192.04047	1.3
193.04991	25.1
207.06595	5.2
209.54146	1.2
215.43861	1.2
225.14925	2.1
228.13875	3.1
229.01353	1.9
235.06071	36.5
246.14854	3.5
262.07755	1.2
264.16010	11.5
265.07187	7.8
275.01895	3.1
295.08237	10.0
300.99847	5.2
311.09796	19.3
325.03650	2.8
336.92334	1.5
381.01654	2.6
382.02798	1.6
391.03091	3.6
399.19962	1.9
426.21411	3.2
455.11905	1.6
486.07199	1.7
486.16919	3.8
487.08310	2.2
487.14334	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53815	0.3
57.03322	0.5
59.01247	3.4
61.01643	0.3
61.98701	100.0
71.01249	2.3
73.02830	0.9
75.99397	0.3
83.01276	0.5
85.02820	0.8
89.02329	1.0
95.01292	0.4
96.73209	0.4
96.95888	0.9
101.02341	1.5
109.02868	0.4
113.02336	0.7
131.03421	1.1
147.00093	0.4
161.02573	0.3
161.04504	0.5
163.03793	0.5
165.01845	0.4
166.77318	0.4
194.32886	0.4
222.03264	0.4
224.56667	0.4
230.04546	0.5
250.02765	0.8
278.02100	1.0
291.18143	0.6
292.18546	1.4
293.18790	1.2
294.19104	1.3
324.02747	4.9
325.03574	3.8
426.23474	0.6
486.07703	0.6
486.20380	0.7
487.08801	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	486.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42904	0.3
59.01257	2.2
61.98700	100.0
71.01263	1.0
73.02818	0.4
74.77489	0.3
85.02808	0.7
87.00755	0.3
89.02317	0.6
94.81209	0.4
101.02342	0.7
109.02791	0.4
139.03902	0.3
145.02859	0.5
163.03891	0.4
163.07574	0.9
165.01945	0.4
167.03467	0.4
174.03159	0.5
175.03876	2.0
179.03491	0.3
195.06657	0.3
196.34213	0.3
202.29579	0.3
250.02792	0.6
278.02164	0.8
279.03067	0.5
280.03888	0.3
300.99881	0.4
307.02591	0.7
314.53351	0.4
324.02686	4.7
325.03445	2.5
354.34512	0.3
395.55658	0.4
404.06107	0.4
404.56335	0.4
486.08206	0.5
486.20560	0.5
487.08704	2.2
487.21805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.9
60.11705	0.2
61.98702	100.0
62.98412	0.2
71.01250	1.8
72.99183	0.3
73.02824	0.5
75.00753	0.3
85.02819	0.7
89.02322	0.8
92.64868	0.3
93.03360	0.9
96.95905	0.3
97.06513	0.3
98.20601	0.4
99.00775	0.3
99.04385	0.2
101.02338	1.0
108.02045	0.3
108.07305	0.2
109.02840	0.8
113.02332	0.9
120.05719	0.3
120.99562	0.3
123.04436	1.0
125.02368	0.5
133.02861	0.4
135.08055	0.6
137.02390	0.4
144.99661	0.2
145.02824	0.5
151.03918	0.7
159.04327	0.3
161.02382	0.6
161.04514	0.3
163.03900	0.4
165.01698	0.3
169.01364	0.3
173.04530	0.5
174.03168	1.1
175.03955	0.8
177.01883	0.9
189.01889	0.3
191.05763	0.3
193.06586	0.8
201.01883	0.6
201.05380	0.3
222.03186	1.5
223.03787	0.2
239.03406	0.4
240.04259	0.4
250.02690	1.5
251.03532	0.5
252.04280	0.3
264.13223	0.4
265.14337	0.3
267.02960	0.5
269.08347	0.3
278.02298	2.1
279.03064	1.0
280.03864	0.3
281.04648	0.5
295.02496	0.6
296.03391	0.4
299.99100	0.5
300.99960	0.4
307.02585	2.0
307.05667	0.3
308.03412	0.4
308.06805	0.3
323.02078	1.5
324.02731	12.1
325.03549	7.8
325.07089	0.7
325.14539	0.7
341.06775	0.3
363.05292	0.5
393.06113	0.3
443.31680	0.5
486.08112	0.7
486.20377	0.7
486.27588	0.3
486.34561	0.3
487.09009	9.0
487.30261	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	486.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.6
61.98695	5.4
69.03299	3.1
69.23598	8.9
69.24035	10.3
71.01248	12.6
72.68723	2.2
72.99165	2.3
75.12994	2.2
85.02814	7.7
87.00740	2.9
89.02311	4.0
93.03364	5.5
94.38863	2.2
96.95887	4.5
101.02325	5.3
109.02848	3.3
111.40327	2.0
112.38642	2.0
113.02374	3.5
117.86666	2.1
119.04065	4.0
119.04916	83.5
120.99537	2.3
121.02812	4.5
123.00751	4.5
123.04372	3.5
125.02290	6.0
132.02037	2.5
133.02853	38.1
134.03610	8.1
135.04434	28.9
137.02348	4.2
145.02849	3.7
147.04460	2.1
149.02332	2.7
151.00278	2.9
151.03935	4.7
160.01509	2.5
161.02348	100.0
163.03912	48.1
169.01335	3.6
173.02328	2.7
173.04468	9.5
174.03165	3.6
174.04716	2.1
175.03929	6.1
177.05446	5.4
179.03400	21.3
179.07104	2.5
190.02562	2.8
191.05539	2.9
200.01025	3.5
203.03387	2.3
205.04988	4.6
213.15012	2.4
214.02655	2.3
221.04553	5.8
226.99850	3.4
229.01337	5.0
254.99304	6.7
257.00928	8.0
258.01645	4.2
269.98041	25.3
270.98776	19.0
271.99496	2.6
275.01974	3.1
278.02228	3.2
282.98834	4.7
283.99655	10.2
285.00482	31.0
286.01080	5.1
289.05069	2.5
291.24496	2.7
294.00378	10.0
297.00244	8.5
297.97571	32.1
298.00882	4.4
298.98325	27.7
299.01608	4.0
299.99100	77.9
300.99820	22.3
302.57928	2.6
307.05914	2.6
309.99829	10.7
310.03256	3.5
311.01846	2.9
311.99039	9.6
312.99893	83.9
314.00620	41.8
314.97751	3.1
315.01443	51.0
316.01694	4.0
321.99875	10.6
323.00980	18.2
323.07709	70.6
324.02698	15.4
325.03458	2.7
327.01492	14.9
336.01599	8.3
337.99362	13.6
338.03098	9.4
339.00165	27.1
340.73306	2.6
343.00793	5.4
353.01620	11.1
354.02530	31.6
391.02957	3.6
431.02548	4.0
446.04913	85.4
447.05298	11.0
455.04803	7.6
459.05222	3.5
486.06769	83.2
486.16782	3.3
487.01285	17.7
487.13300	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.327
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
59.01231	0.5
60.99160	1.0
66.70866	0.4
82.02202	0.4
90.45144	0.4
96.09066	0.4
157.32027	0.4
183.31226	0.4
205.38416	0.5
256.23508	0.5
395.33133	0.7
399.09424	0.4
405.31616	0.7
423.32877	2.3
441.33725	14.0
442.34039	2.1
451.32217	0.8
453.33530	2.0
454.34192	0.6
467.31204	0.9
485.32678	100.0
486.32993	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	485.3635
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
57.03313	0.4
60.99165	0.5
71.04883	1.3
85.06465	0.4
97.05884	0.5
97.06469	7.4
134.46170	0.3
137.09563	0.5
149.09663	0.4
156.02249	0.3
158.12631	0.3
161.44522	0.3
181.50343	0.3
191.14307	0.8
229.41676	0.4
324.63217	0.4
374.26279	0.7
375.26971	0.6
377.28339	0.5
389.28604	2.7
391.29968	3.9
392.30347	0.4
405.31619	9.1
406.31934	1.3
407.33176	13.4
408.33420	1.8
409.34964	0.5
423.28958	0.9
425.34457	0.4
437.30777	1.5
439.32114	2.0
440.32626	0.5
441.33682	9.8
442.33994	1.3
451.32156	39.9
452.32428	6.5
453.33719	100.0
454.34073	17.8
454.38937	0.3
454.40585	0.6
471.34735	4.7
472.35123	1.0
485.36890	14.6
486.37408	3.0
497.32755	8.4
498.32736	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	485.3272
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
54.02428	0.2
56.10688	0.2
57.53749	0.2
60.99175	0.7
70.18608	0.2
70.19003	0.2
70.87891	0.4
70.88213	0.3
77.20556	0.2
80.80494	0.2
96.95876	0.2
98.14680	0.2
101.78967	0.2
119.28925	0.2
169.30377	0.2
180.59077	0.2
220.36935	0.2
308.15839	0.2
423.32666	17.8
424.32996	2.9
437.30698	0.3
439.32227	2.3
440.32318	0.3
441.33676	0.6
467.31570	1.8
468.31943	0.5
485.32700	100.0
486.33035	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11387	0.2
57.03313	0.4
59.01239	0.8
67.19652	0.2
71.04890	2.6
73.15961	0.2
78.59882	0.2
83.04886	0.3
95.04885	0.3
97.06458	0.6
98.19942	1.0
98.20650	0.4
99.61464	0.2
107.04904	0.5
110.33632	0.2
118.95229	0.2
121.06466	0.9
130.12466	0.2
189.12808	0.3
243.17506	2.1
259.20642	0.5
279.10287	0.2
285.18628	1.0
303.19809	0.6
375.26913	0.3
391.30258	1.0
397.31323	0.3
407.29526	4.2
408.29849	0.6
413.26578	0.3
423.33145	0.3
425.30682	1.6
426.31015	0.3
439.31973	0.7
441.33844	0.6
455.25638	0.3
455.31635	2.9
456.31973	0.3
467.31738	1.9
468.31747	0.3
485.32739	100.0
486.33087	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	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40570	0.1
57.03307	0.3
59.01244	0.1
59.86417	0.1
69.79882	0.6
71.04890	1.3
97.57941	0.1
98.20569	0.2
104.22894	0.2
123.34485	0.1
188.01337	0.1
373.29437	0.1
375.26886	0.4
391.30054	2.2
392.30380	0.3
423.33536	0.2
432.58780	0.2
439.31775	0.2
455.31781	1.2
485.32709	100.0
486.33069	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03365	0.2
69.24190	1.1
69.24617	0.7
71.04874	0.2
75.10535	0.2
76.08876	0.2
98.20569	0.4
101.06030	0.2
104.44975	0.2
207.28297	0.2
421.30902	1.4
422.31607	0.3
485.32693	100.0
486.33038	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66298	0.5
59.01251	18.8
60.99179	1.0
64.05136	0.7
71.04869	1.0
71.51050	0.7
83.04869	0.8
91.05258	0.6
97.06465	0.8
100.14856	0.6
121.96684	0.6
189.43024	0.6
233.15562	1.0
320.86539	0.6
354.25888	0.7
386.24527	2.5
387.24841	0.8
405.31601	2.7
423.32608	2.6
425.30585	52.0
426.30884	8.8
439.32236	0.9
441.33661	1.6
449.30545	0.8
453.33734	1.0
467.31689	8.2
468.32187	1.1
485.32684	100.0
486.33011	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41903	0.2
59.01235	0.6
70.83681	0.5
71.04905	0.3
75.21320	0.2
79.70396	0.2
80.64014	0.2
87.00732	0.3
115.59538	0.2
133.19734	0.2
154.46492	0.2
154.67975	0.2
192.97446	0.2
209.42905	0.2
211.93756	0.3
335.31683	0.2
355.26553	0.3
391.29953	0.3
406.28690	0.2
407.29483	0.3
413.34558	0.3
423.32614	0.9
425.30466	0.8
439.31995	0.9
441.33807	2.7
442.34207	0.4
455.31647	4.5
456.31897	0.8
467.31573	0.9
485.32700	100.0
486.33047	17.0
492.90363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
85.79546	0.5
87.00726	0.5
88.98224	0.5
96.68536	0.4
98.20536	0.8
105.08010	0.5
113.61700	0.5
222.27837	0.4
312.85916	0.5
369.07831	0.5
413.30670	1.2
435.81763	0.6
485.32761	100.0
486.33118	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02186	0.2
70.34852	0.2
70.42823	0.3
71.00060	0.5
71.04876	0.7
85.26010	0.3
108.04448	0.3
108.91025	0.2
113.67558	0.3
131.58124	0.3
174.19928	0.3
178.24380	0.3
299.17657	0.3
375.27008	0.3
391.30008	2.3
439.32123	2.4
440.32230	0.3
455.31516	0.5
485.32690	100.0
486.33008	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	485.3272
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
62.46319	0.2
72.27820	0.2
79.34531	0.2
80.50574	0.2
80.68542	0.2
81.15433	0.2
86.45455	0.2
354.86224	0.2
409.30948	0.7
423.32684	0.4
437.30515	3.6
438.30676	0.5
441.33868	0.4
449.30478	0.3
455.31628	14.4
456.31857	2.2
467.31583	0.7
485.32703	100.0
486.33035	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	483.3117
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
50.74018	0.2
51.02549	0.2
57.03306	0.2
59.01236	0.3
65.02079	0.2
65.54499	0.2
66.51016	0.2
70.80084	0.3
70.80423	0.4
71.04881	0.5
83.04889	0.3
85.02825	0.3
86.74799	0.2
91.43241	0.2
116.64784	0.2
122.82039	0.2
123.08033	0.4
366.37320	0.3
391.30106	0.8
393.27954	0.9
439.28046	1.2
455.31815	0.6
483.31125	100.0
484.31503	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	483.3114
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
50.26685	0.2
57.03338	0.3
59.01255	0.3
69.45110	0.7
69.45534	0.9
71.04889	0.7
83.04876	0.3
95.15870	0.2
98.19811	0.5
109.51543	0.2
123.08077	0.3
189.12886	0.3
255.23521	0.3
391.30167	0.8
393.27707	1.1
395.29596	1.0
419.29547	0.9
421.31110	0.5
437.30673	4.1
438.30957	0.3
439.28070	1.5
440.28726	0.4
455.31747	0.7
483.31146	100.0
484.31519	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	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60903	1.6
59.01241	16.4
61.98697	3.6
64.57663	1.7
65.00179	2.1
69.47191	12.9
71.01250	15.2
72.99168	2.3
73.02809	3.6
83.01249	12.5
85.02812	4.0
89.02331	9.0
93.03337	13.5
95.01263	3.9
97.02866	2.0
99.00763	7.8
100.43617	1.8
100.48928	1.8
101.02312	9.6
109.02814	4.1
111.00773	5.4
113.02344	5.6
117.03337	3.8
119.01210	1.6
119.03420	2.3
119.04913	17.3
123.00784	4.7
123.04440	3.0
125.02325	7.2
129.49513	2.3
131.04924	5.4
132.02014	2.1
132.05696	6.4
133.02878	4.2
133.06488	11.0
135.04385	2.7
137.79723	1.8
139.00270	3.5
143.04893	3.0
145.02855	5.1
145.06500	4.1
147.04427	31.5
149.06006	14.6
157.06485	3.7
159.00824	2.0
159.04437	3.7
160.01552	2.4
161.02328	4.2
161.04585	3.5
161.05972	9.6
163.03908	4.1
163.07579	2.2
164.98242	4.4
165.05458	4.5
165.40601	1.9
166.04951	3.0
166.99788	4.2
167.03358	4.2
167.05757	2.5
169.01334	5.4
171.04402	3.3
173.04454	6.0
173.06000	9.0
175.03900	8.9
175.07549	4.7
176.04659	4.8
177.05484	23.4
177.09117	3.9
179.05565	3.8
182.99243	6.9
184.05266	2.2
187.00293	3.8
187.03856	3.9
187.07529	3.0
188.00789	1.9
189.01865	2.9
189.05466	23.6
191.03487	2.3
191.05498	6.2
191.07066	3.5
193.04985	8.2
199.07602	4.1
201.01895	3.9
201.05482	5.8
203.03506	6.0
205.04953	11.6
205.08626	5.7
215.06989	2.3
216.00645	3.9
217.05104	3.9
217.08621	7.0
219.06538	13.0
221.04495	100.0
222.04794	5.0
225.05501	2.4
230.99495	2.9
235.06183	2.6
238.02696	5.2
242.99399	5.5
243.06564	19.1
243.99971	5.2
245.00845	6.9
249.11292	9.5
263.05585	18.6
267.12302	3.6
270.98843	27.3
271.99539	9.2
273.00385	6.1
285.29724	2.3
286.91064	2.1
286.98181	3.2
293.16208	2.9
294.01678	5.5
295.04901	1.9
297.97394	2.4
298.98331	26.8
299.98935	13.0
300.99820	19.7
302.00055	2.0
305.06595	4.0
314.97836	9.2
315.98596	22.1
316.99332	20.9
317.99524	2.6
322.01227	4.8
323.01981	6.9
323.07550	3.2
339.07422	11.0
339.10919	2.0
351.29468	1.9
379.14023	3.1
423.12952	5.4
441.00757	4.0
441.13962	17.9
485.00229	3.7
485.07092	7.1
485.13043	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	483.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33657	0.9
55.01756	3.5
57.03327	2.7
59.01247	68.8
61.98697	6.1
71.01251	30.9
71.30849	1.9
72.99165	1.5
73.02826	12.2
83.01248	6.7
85.02821	17.8
87.00748	3.0
89.02325	6.8
93.03255	1.1
95.01235	2.0
97.02827	1.6
99.00768	7.0
101.02319	35.8
108.02019	2.0
109.02843	1.9
111.00722	1.4
113.02315	14.4
119.03384	1.2
120.05669	1.1
125.02291	3.2
125.60450	1.1
129.01849	1.0
131.03394	39.3
135.02815	1.1
135.08025	4.7
137.02316	2.9
139.00211	1.2
145.02852	1.5
147.04425	1.2
151.07590	1.2
152.01057	1.3
158.03664	1.9
159.02882	2.2
160.01529	2.4
161.04474	12.7
163.03835	1.4
169.01390	1.0
171.04417	1.2
174.03160	7.7
175.02580	1.8
175.03918	38.6
176.04230	2.3
235.06100	1.5
252.38440	1.0
271.02521	1.3
291.18127	100.0
292.13144	1.1
292.18436	5.9
299.01804	1.8
299.99039	1.4
300.99820	2.8
314.04337	1.7
321.07761	1.1
335.17099	1.6
349.06976	1.2
423.22406	18.4
447.09399	1.7
465.79578	1.1
483.08932	2.2
483.18784	3.8
483.22870	1.9
483.33606	9.4
484.11053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52964	0.5
59.01277	0.8
69.44019	1.7
69.44438	2.1
71.31993	0.5
75.93180	0.5
78.95776	6.8
85.33939	0.6
86.29720	0.5
93.68607	0.6
96.96849	0.7
98.20572	1.0
118.00371	0.5
120.34559	0.6
152.99493	16.4
171.00575	1.0
184.05377	0.7
227.03154	2.6
245.04391	1.0
255.23268	100.0
256.23657	8.7
291.18207	0.6
372.58762	0.6
421.31091	1.2
428.89557	0.5
483.27023	28.3
484.27469	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	483.2963
Annotation	Pubeside B
Peak:m/z	Relative Intensity
55.01755	6.7
57.03049	0.3
57.03320	5.4
58.00463	1.5
59.01248	26.1
60.01564	0.3
67.01745	0.3
68.99698	0.4
69.03337	1.3
71.01249	100.0
72.01591	1.7
72.99174	2.5
73.02815	35.2
74.03143	0.5
75.00748	1.7
81.03334	0.6
83.01254	14.8
84.01581	0.4
84.02034	0.9
85.02818	49.1
86.03156	0.9
87.00745	4.1
89.02315	6.2
95.01260	8.1
97.02818	2.8
99.00753	15.0
101.02318	79.9
102.02651	1.2
103.03861	0.5
111.00762	0.6
113.02325	41.1
114.02643	0.9
119.03364	0.6
123.08010	0.3
125.02352	2.5
129.01822	2.3
131.03357	0.6
131.57262	0.2
137.02350	0.3
139.00266	0.3
140.54721	0.2
143.03392	6.1
146.16460	0.3
159.02893	12.6
160.03212	0.4
161.04456	79.5
162.04796	2.2
179.05466	0.5
205.03410	2.8
287.20123	0.7
289.21680	4.9
290.22058	0.5
295.59036	0.2
301.21701	1.7
319.22693	0.5
321.20746	0.7
321.24277	5.8
322.24490	0.5
365.23376	2.0
366.23691	0.3
381.26614	0.2
483.29602	71.2
484.29953	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	483.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	20.2
58.00452	1.5
59.00963	1.4
59.01251	21.8
64.13800	1.1
71.01245	5.8
72.99198	1.9
73.02808	4.7
75.00729	1.6
85.02803	1.7
89.02328	2.9
93.03366	1.5
95.38608	1.3
97.02828	1.4
99.04395	12.5
101.02345	8.4
108.02016	1.7
109.02853	1.9
111.00788	1.9
113.02334	1.3
119.03471	1.2
120.10181	1.0
121.88449	1.3
124.01627	1.4
125.02252	1.3
131.04927	1.9
133.02856	1.4
135.04416	2.0
137.02332	2.0
145.02831	1.4
149.07085	1.8
152.01059	2.2
160.01527	1.4
160.12100	1.2
161.02277	3.5
161.04480	9.1
162.03064	1.3
163.00273	1.6
164.08804	1.2
169.01222	1.6
173.02280	2.1
174.03159	8.7
175.03908	45.9
176.04301	2.7
176.05794	19.5
177.01784	1.9
177.06590	26.5
179.03416	1.4
183.02719	1.2
188.05807	1.4
189.01889	2.8
189.06625	2.2
191.03445	1.4
191.08171	41.6
192.08495	3.2
193.01175	1.4
203.08209	8.8
205.01324	2.2
205.06107	51.0
206.06442	2.7
207.07635	1.4
214.99892	1.3
215.08237	3.1
216.05157	1.2
217.01315	4.8
217.09802	1.5
218.02092	1.5
219.07686	55.8
227.08156	2.0
231.07689	4.6
233.00797	1.6
242.06902	1.4
243.07755	3.8
245.00847	7.5
245.09216	5.8
247.07149	2.3
259.07080	2.5
259.99542	2.2
261.00391	4.9
261.08804	1.5
270.98810	3.6
273.00406	1.8
275.10370	1.7
276.99780	1.3
286.98453	1.4
288.99805	2.2
293.11328	2.9
298.98383	1.9
299.99048	3.9
300.99780	4.5
303.09793	3.5
321.10898	32.0
322.11166	2.5
339.11929	100.0
340.12216	7.7
381.12979	42.0
382.13190	3.6
393.04935	1.8
421.16174	10.2
432.03275	1.4
433.04169	1.6
483.03906	2.4
483.10187	4.1
483.16101	11.3
483.23557	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	483.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03320	1.9
57.54020	0.4
59.01248	40.4
60.01592	0.6
61.98691	0.8
71.01250	18.4
72.99178	1.3
73.02814	8.4
74.17479	0.5
78.95774	0.9
81.36954	0.4
83.01253	4.6
85.02819	11.6
87.00755	1.2
89.02320	2.4
93.03333	3.3
95.01279	1.3
97.02829	0.7
99.00746	3.9
101.02319	22.3
112.68872	0.4
113.02325	9.5
117.03412	1.2
119.04916	3.1
121.63519	0.4
123.04366	0.6
125.02343	1.3
129.01819	0.5
130.62877	0.4
131.03394	23.7
135.04434	0.5
137.02275	0.5
143.03366	1.1
143.04922	0.4
143.10638	0.6
145.02818	0.8
147.04379	0.7
152.99454	1.0
159.02888	1.9
161.02356	1.7
161.04460	8.3
163.02527	0.8
163.03914	13.3
164.04265	0.9
169.01323	1.1
173.02345	7.1
174.03168	2.2
175.03873	0.5
187.03934	5.6
188.04294	0.6
189.01804	0.7
191.03458	0.6
199.03828	0.7
200.04695	0.8
201.01901	7.6
203.85463	0.5
217.01276	0.9
229.57817	0.5
248.61806	0.4
259.23590	0.5
261.05566	0.8
275.07260	2.4
277.08759	2.1
278.05826	0.8
279.06583	8.6
280.06873	1.2
291.18124	67.0
292.07266	1.2
292.18509	5.0
293.08194	4.7
301.00064	0.5
303.06613	0.7
321.07657	100.0
322.08054	10.9
335.17212	0.6
352.15320	0.5
423.22324	13.8
424.22745	1.2
447.22525	0.6
483.02338	1.0
483.09006	1.9
483.18488	1.8
483.23615	0.7
483.33118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.3
61.98685	0.5
63.07555	0.2
63.72485	0.1
69.46398	1.2
71.01246	1.1
71.50243	0.1
71.60836	0.2
73.02811	0.2
78.95765	0.4
83.01261	0.2
85.02821	0.6
89.02305	0.5
93.03330	2.7
94.03658	0.2
95.01254	0.2
96.95879	0.3
101.02305	0.7
107.31756	0.1
108.02039	0.6
109.02830	0.4
113.02318	0.4
113.10938	0.2
117.03319	1.1
119.04903	2.8
120.05302	0.1
123.00805	0.3
123.04385	0.3
125.02335	0.4
131.03401	0.4
132.02100	0.2
133.02876	0.2
135.04425	0.4
137.02344	0.4
139.00359	0.2
143.04898	0.3
145.02803	1.2
151.00342	0.2
152.01030	0.6
152.99475	1.1
153.05402	0.3
159.04419	0.3
160.01566	0.6
161.02289	0.7
161.04459	0.2
163.03915	15.4
164.04234	0.7
169.01344	0.3
173.02356	7.5
174.03130	2.4
175.03874	1.0
179.03355	0.2
187.03926	4.7
188.04248	0.3
189.01833	0.7
191.03387	0.6
191.05267	0.2
199.04041	0.8
200.04692	0.6
201.01866	7.6
202.02223	0.4
211.02222	0.2
215.03354	0.2
217.01346	0.9
221.08043	0.2
227.03500	0.2
231.08156	0.4
233.06320	0.2
247.07584	0.2
259.07480	0.2
261.05606	0.7
274.06619	0.2
275.07144	2.4
276.07712	0.4
276.19351	0.2
277.08691	2.3
278.05899	0.4
278.08826	0.2
279.06580	9.1
280.04291	0.2
280.07019	1.0
291.18073	0.8
292.07404	1.6
293.08179	4.7
294.08554	0.4
300.99930	0.3
303.06665	1.2
304.07498	0.2
307.05927	0.2
312.84958	0.2
321.07639	100.0
322.07986	10.7
423.22220	0.8
447.21692	0.2
483.01852	0.3
483.08041	0.3
483.17996	1.5
483.32910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.4
59.01242	4.3
59.01513	1.0
68.99680	1.1
69.03331	1.2
71.01254	3.5
71.50720	1.8
71.51085	1.3
75.00746	1.9
79.95575	1.6
81.03360	2.5
83.01257	7.6
83.01696	1.4
85.02809	2.3
89.02334	1.7
93.03336	4.1
95.01309	1.5
95.04906	3.5
96.95891	10.7
96.96854	1.9
97.02825	7.9
98.02370	1.8
99.04409	2.1
101.02324	3.8
103.39007	0.9
107.04893	1.2
108.02029	7.3
108.09239	1.0
108.68215	1.0
109.02838	27.8
111.00768	2.4
113.02320	1.4
117.26880	1.1
119.65703	1.1
120.99548	1.5
121.02847	6.8
122.03640	2.9
123.00745	1.9
123.04411	19.2
125.02335	14.3
134.03648	12.2
135.02872	1.3
135.04402	8.2
136.98978	1.1
137.02335	16.0
138.38647	1.0
139.03908	4.6
140.01074	1.4
145.02866	2.9
146.03641	2.9
147.04422	2.3
148.05176	2.4
149.02344	8.9
149.05988	12.0
150.03062	1.7
151.03911	12.5
152.01080	2.9
153.01851	2.2
155.17961	1.0
158.03719	1.3
159.04443	5.1
160.01572	2.1
161.02348	5.4
161.04535	2.4
161.05981	11.0
162.03136	3.5
163.00241	1.3
163.03931	4.9
164.01094	2.3
165.01807	6.5
165.05489	2.4
167.03387	2.8
169.01331	4.2
173.04562	2.3
173.05994	3.2
174.03203	1.7
175.03926	9.0
175.07532	2.2
176.04570	1.1
176.05914	1.1
177.01772	1.1
177.05362	2.1
177.06705	2.5
179.03481	6.2
185.05968	2.7
187.03972	6.6
187.07582	1.2
188.04675	3.4
189.01810	4.0
189.05510	6.3
190.02632	2.2
191.03467	2.8
191.05482	1.7
191.08241	3.4
193.04979	2.7
202.06172	2.8
203.03416	2.8
203.07004	17.4
205.04759	16.3
206.05302	1.9
213.05397	1.2
215.07126	2.4
217.01346	2.2
217.04955	2.7
218.05791	2.8
219.07768	7.2
221.08098	3.7
226.06502	1.1
227.07053	2.8
229.04993	1.4
229.08670	2.6
231.02913	5.3
233.08131	12.1
243.02974	1.1
243.07605	1.5
245.08124	15.7
246.08380	1.3
247.06075	3.4
247.09821	1.7
255.03046	1.6
262.02411	1.2
271.06671	1.4
271.09808	4.3
275.01907	2.6
285.03973	1.6
289.07178	100.0
290.07700	7.2
299.99075	1.9
300.99899	4.4
302.00223	1.2
315.08707	31.7
316.09045	3.6
321.10858	5.1
331.08063	2.6
335.17130	1.8
339.01334	2.3
339.11908	17.0
340.12286	2.2
341.06674	11.6
342.06763	1.2
351.01352	1.7
357.55255	1.1
367.00632	2.2
377.14529	1.4
381.12973	4.3
395.00543	1.1
395.14886	1.5
432.98364	2.3
439.14590	2.6
450.99426	14.5
451.99786	1.5
465.11957	13.4
466.12546	2.0
483.02386	12.2
483.12955	44.4
484.02786	2.1
484.14346	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	483.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59146	0.3
59.01238	1.1
69.26534	2.2
71.01253	0.5
72.56439	0.2
73.02808	0.3
78.95790	0.3
85.02811	0.4
85.46504	0.3
87.00748	0.3
93.03340	2.4
96.95884	0.4
98.20582	0.5
101.02332	0.7
108.02035	0.5
109.02788	0.2
110.71436	0.3
113.02264	0.3
117.03355	1.0
119.04907	3.2
125.02339	0.3
133.02808	0.4
142.43019	0.2
145.02847	0.9
152.99411	0.8
158.27710	0.3
159.04396	0.3
161.02332	0.5
161.04417	0.3
163.03920	15.1
164.04231	0.7
169.01381	0.3
173.02361	6.9
174.03134	2.5
175.03871	0.9
183.04546	0.3
185.02338	0.3
187.03935	5.4
188.04324	0.4
189.01833	0.4
191.03362	0.7
199.03954	1.0
200.04697	0.6
201.01866	9.0
202.02255	0.3
214.16333	0.2
216.61537	0.3
217.01353	0.8
249.09128	0.3
258.06775	0.3
261.05536	0.5
262.06036	0.3
274.06348	0.3
275.07098	2.5
276.07675	0.4
277.08649	2.5
278.05804	0.5
279.06583	10.1
280.06845	0.7
291.18112	0.7
292.07339	1.8
293.08185	5.0
294.08594	0.5
303.06546	1.0
321.07657	100.0
322.08029	10.7
423.22134	0.4
483.19089	1.0
483.33026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
61.98687	0.2
67.75779	0.1
71.01254	1.0
71.07147	0.4
73.02810	0.2
85.02824	0.3
87.00758	0.3
89.02335	0.2
93.03336	0.3
94.14034	0.2
101.02312	0.5
108.02042	2.1
109.02825	1.8
111.81438	0.2
113.02328	0.5
117.03346	1.9
119.04916	4.1
121.02850	0.5
125.02380	0.2
130.04144	0.5
131.04932	4.4
133.06506	0.9
135.04433	0.2
143.77148	0.2
145.02858	6.4
146.03162	0.4
147.04405	1.3
152.01059	1.8
152.26158	0.2
153.01859	0.9
157.02873	0.6
158.03621	0.3
159.04340	0.2
161.04622	0.3
161.05975	2.4
163.03923	3.9
164.04196	0.2
165.01863	0.3
173.02397	0.5
174.01570	0.4
174.03146	20.5
175.03926	100.0
176.04276	5.2
177.05478	1.1
187.03947	0.5
201.05409	0.2
205.05013	2.7
217.05037	0.6
229.05070	0.6
235.06082	2.2
265.07159	3.5
266.07507	0.3
271.02502	0.5
283.50909	0.2
299.01956	0.8
307.08237	1.9
314.04303	0.7
315.04987	1.0
325.09302	0.5
325.13245	0.2
357.08301	0.6
447.09320	0.8
447.22229	0.3
465.17770	0.2
483.18698	2.7
483.29355	0.3
484.19067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01282	1.4
61.98698	0.6
63.27090	0.7
69.20535	6.6
71.01244	3.1
72.99199	1.1
73.02823	0.8
74.98962	1.1
83.01251	0.9
85.02841	0.9
95.01276	1.2
97.02847	1.4
98.20508	1.4
101.02338	1.7
107.01285	6.3
109.02842	0.7
111.00760	6.1
117.03362	0.7
123.00758	6.1
123.01411	0.5
124.01581	2.3
125.02332	41.4
126.77021	0.7
127.00277	1.3
136.98795	3.4
137.02351	1.2
137.22687	0.7
139.00264	11.8
139.03870	0.8
139.56914	0.6
140.01070	8.7
141.01859	2.1
151.00233	4.3
153.01851	7.1
154.02635	6.7
155.03401	3.3
163.06250	0.6
165.01895	0.7
166.99734	0.8
167.03468	2.0
168.00543	12.6
168.04231	1.6
169.01329	49.8
169.05052	2.0
170.01711	1.9
181.01302	0.8
183.02957	2.7
193.01396	0.9
211.02478	2.2
229.01369	1.1
237.72511	0.7
247.02586	0.7
253.03583	0.7
271.04694	2.7
275.01968	1.0
277.79938	0.7
291.14606	1.2
297.06097	5.1
301.00003	2.2
313.05627	13.3
314.06198	1.0
315.06970	1.0
327.07388	1.9
331.06775	0.8
362.52835	0.8
391.02838	0.9
399.22711	0.8
432.96158	0.7
483.11667	100.0
484.12048	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	483.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98442	1.8
59.01240	7.0
61.36826	1.5
71.01254	7.7
71.21236	4.3
72.99178	8.0
74.67644	1.7
75.00745	5.9
79.52018	1.8
85.02839	3.7
87.00758	3.1
95.01231	1.8
105.01820	92.2
107.01245	6.4
109.45850	1.9
111.00777	3.2
113.02299	2.5
117.03387	4.6
123.00749	7.4
125.02343	70.8
125.03252	3.9
126.02630	1.8
127.00263	2.2
131.04948	3.7
134.45137	1.9
139.00272	4.9
140.01047	3.2
145.01320	4.9
145.02878	2.8
151.00302	4.4
159.04410	4.0
161.02325	9.3
163.03922	63.6
167.03413	2.1
168.00536	7.3
169.01341	100.0
170.01654	3.3
171.04424	2.6
173.02362	29.9
174.03139	79.5
175.03899	29.7
185.02226	1.9
186.02980	1.8
187.03934	43.2
188.04601	6.1
189.01791	5.4
191.03391	4.8
193.01384	5.1
199.04010	3.6
201.01872	61.2
202.02643	19.9
203.03442	42.9
204.04126	8.3
211.02373	24.9
211.04123	3.1
213.01872	2.1
214.02719	12.1
215.03453	46.4
215.38129	1.7
216.04063	7.2
217.01401	15.6
217.04884	4.0
218.02155	52.5
219.02927	23.1
227.03461	8.9
229.01349	8.1
229.04955	5.9
230.02055	2.7
231.02966	25.5
232.03719	37.0
233.04475	13.0
243.02901	10.6
255.02826	2.2
257.04599	4.1
260.03226	22.7
261.04016	11.9
271.04633	23.6
275.01868	3.0
275.05554	2.5
284.03290	2.6
290.04138	2.1
291.05112	3.8
300.99908	4.7
311.89566	2.0
312.57666	1.9
313.05615	20.5
320.05383	38.9
321.06116	31.7
322.06497	3.8
331.06741	10.6
363.07181	4.4
377.08542	3.8
381.08231	13.8
395.09918	9.2
423.09457	16.3
439.08868	7.3
455.70151	2.2
483.07458	49.3
484.07962	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	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02266	1.7
59.01237	2.8
106.39089	2.3
107.01253	2.9
109.02872	3.1
121.02849	2.6
125.02329	4.0
137.02327	5.5
139.03900	3.1
151.00278	13.1
169.01303	3.6
178.99762	6.0
190.02753	2.2
201.01942	2.3
243.02901	6.4
254.02057	2.6
255.02995	19.1
259.97623	2.3
270.25848	2.1
270.99185	3.5
271.02481	36.3
272.02924	2.3
298.98367	12.7
299.99103	11.4
300.02689	68.0
300.06189	3.4
300.99847	56.5
301.03494	47.7
302.00308	4.5
302.03699	3.1
317.38953	2.0
447.09308	100.0
448.09390	9.6
471.36777	2.0
483.18655	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	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.26178	0.9
58.27995	0.8
59.01254	4.7
62.22610	1.0
63.01047	1.1
63.02220	0.8
67.01775	0.9
69.03308	1.7
69.55061	6.1
71.01247	4.8
72.99155	2.1
75.00749	1.6
81.04261	0.9
83.01244	1.5
85.02818	1.6
93.03306	1.1
95.01259	1.9
97.02811	1.7
101.02302	2.2
105.01102	1.1
105.01809	15.9
107.01274	9.5
108.01612	1.1
111.00739	4.0
113.02321	1.8
117.03307	1.8
123.00768	8.3
124.01530	3.2
125.02334	100.0
126.02636	3.1
127.00246	1.4
137.02306	1.9
138.75671	1.0
139.00235	4.3
139.03856	4.9
140.00987	3.9
145.02809	1.0
151.00230	3.9
158.03613	1.0
161.02324	1.5
163.03885	11.0
165.01788	1.1
166.99745	1.3
167.03137	1.2
168.00549	16.7
169.01334	89.2
169.04898	4.6
170.01640	3.1
173.02357	5.4
174.03136	15.1
175.03937	4.8
187.03998	5.2
191.05133	1.1
193.01326	13.2
201.01831	10.8
202.02510	3.2
203.03448	8.1
211.02412	43.4
212.02711	2.0
214.02527	1.9
215.03462	8.7
216.03928	1.3
217.01353	3.0
217.05008	1.7
218.02141	7.8
219.02905	4.6
227.03317	1.3
231.02905	3.8
232.03780	6.3
233.04413	3.3
233.80878	0.9
241.03481	2.7
243.02982	1.7
257.04541	1.3
260.03134	3.6
261.03781	3.1
271.04572	42.5
272.04849	3.4
275.01892	1.2
287.07803	9.8
300.99774	1.2
303.04660	1.0
313.05682	17.2
320.05368	7.7
321.06134	7.5
331.06735	22.5
331.10315	2.5
332.06894	1.5
347.67334	1.0
381.08093	2.8
395.09610	2.8
423.09088	4.1
439.03113	1.6
439.08722	22.3
440.08853	2.1
465.06207	2.6
483.07562	81.3
484.07819	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	483.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68744	0.2
59.01234	0.9
61.98681	0.3
71.01247	0.5
71.37830	0.5
71.38194	0.3
79.13890	0.2
83.01257	0.3
85.02840	0.3
90.69496	0.2
93.03326	0.7
95.01269	0.5
96.01730	0.2
96.95884	0.4
97.02828	0.3
101.02357	0.3
102.28142	0.3
107.01271	0.7
108.02005	0.2
109.02820	0.5
111.00761	0.3
117.03342	0.3
119.01280	0.3
120.99537	3.5
121.02842	0.3
121.99895	0.7
122.99146	2.4
123.00776	0.7
125.02333	0.9
129.03384	0.3
135.04416	0.3
137.02354	1.1
141.01886	0.2
144.02118	0.3
145.02853	0.8
147.00783	0.3
147.04401	0.4
149.02347	0.4
151.00288	2.8
153.01836	0.4
157.02866	0.5
160.01559	0.4
161.02327	0.5
163.03920	0.3
164.04565	0.3
169.01318	1.5
171.00766	0.3
172.01587	0.8
173.02365	1.1
174.03191	0.5
175.00227	0.4
175.03932	0.8
178.99741	0.7
179.03481	0.5
181.01288	0.3
185.02382	2.2
187.00317	0.4
189.01906	0.5
190.02640	1.3
191.03349	0.3
193.04881	0.3
199.00378	0.6
200.01131	0.8
201.01907	1.5
205.05051	1.7
207.93745	0.3
213.01790	0.3
214.99809	0.9
216.00584	1.0
217.01323	0.4
218.01860	0.3
223.06075	0.7
226.99780	0.7
228.00635	1.0
229.01392	2.9
230.01784	0.3
242.99263	2.1
243.03017	0.5
243.99989	1.5
245.00864	1.7
254.99376	0.3
255.02972	1.8
257.00949	1.3
265.07126	0.5
270.98856	9.9
271.02441	3.4
271.99503	1.6
273.00327	0.3
282.98798	1.4
283.04800	0.3
283.99619	3.1
285.00391	3.1
289.07318	0.4
295.08383	0.4
298.98334	16.6
299.99091	16.5
300.02750	7.6
300.99902	100.0
301.03290	6.2
302.00256	8.4
302.03702	0.7
305.06979	0.3
321.09921	0.5
325.09113	0.3
407.00500	1.1
447.09305	10.8
448.09671	1.4
450.99500	3.8
451.99985	0.5
483.02130	2.9
483.08633	0.3
483.19220	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60592	0.6
65.29093	0.7
65.44783	0.8
69.07182	0.7
70.67643	2.2
78.95771	36.9
88.82828	0.6
96.96839	2.9
121.69281	0.7
150.98013	0.7
152.99486	57.2
153.99858	1.2
171.00539	16.6
187.05939	0.7
218.02776	0.8
227.03178	3.6
240.60103	0.8
245.04283	100.0
246.04611	2.9
253.21706	61.3
254.22044	6.0
337.32462	0.7
356.59091	0.9
481.25671	35.7
482.26181	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00066	0.6
70.35797	1.5
70.36179	1.5
76.06924	0.7
78.95768	44.6
86.46616	0.8
96.96831	4.1
111.80707	0.7
135.44569	0.7
152.99480	60.3
153.99814	1.3
171.00543	18.4
227.03143	3.2
245.04263	100.0
246.04710	2.3
253.21683	63.6
254.22044	4.1
300.99799	1.4
371.61905	0.7
481.05923	1.2
481.25662	36.7
482.26001	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	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03317	2.2
58.00455	1.6
59.01247	27.9
61.98681	1.1
65.00138	0.5
65.49759	0.5
69.03311	0.7
69.62563	2.4
71.01251	24.0
71.04869	0.9
72.99181	2.2
73.02812	4.7
74.45650	0.4
75.00714	0.9
83.01248	1.9
85.02821	6.5
87.00748	1.8
87.04386	19.5
88.98656	0.5
89.02311	20.7
95.01254	1.5
97.02827	0.7
99.00748	1.3
101.02316	19.0
102.02663	0.5
103.07367	0.4
107.01279	0.9
108.02058	1.0
109.02826	0.9
111.00766	0.6
113.02323	9.3
117.05454	2.5
119.03384	9.4
119.04159	0.9
121.02890	0.7
123.00753	1.6
123.04375	0.9
125.02332	6.2
131.03386	1.5
135.06525	26.2
136.06845	0.6
136.98999	0.7
137.02332	0.7
139.00293	0.8
139.03883	0.6
139.07527	1.1
139.11176	3.2
143.03372	1.5
149.04381	0.6
151.00261	1.1
152.04665	1.4
159.02850	1.2
161.04466	5.9
167.03505	0.6
167.07053	1.2
169.01334	6.4
173.04379	0.5
179.05539	4.2
183.10213	2.1
187.06125	0.4
191.05467	0.9
193.01384	0.6
201.11247	30.8
202.11589	1.5
220.48528	0.4
225.11377	0.8
247.02623	0.6
259.02899	0.5
275.01923	1.7
279.10916	1.7
289.07492	0.7
297.11884	100.0
298.12161	4.9
300.99878	3.9
301.03073	0.8
313.05652	1.4
313.11166	0.5
315.11816	1.1
333.19196	1.2
481.06296	1.8
481.13464	12.1
481.22470	1.3
482.13757	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00183	0.9
54.72260	0.7
55.01744	1.5
57.03321	2.3
58.00468	1.5
59.01250	43.0
65.00198	2.5
67.01757	1.9
70.97626	2.2
71.01253	40.7
71.04876	1.8
72.99175	2.8
73.02819	6.3
74.45360	0.7
75.00744	1.4
75.62084	0.8
80.99679	1.3
81.03321	1.4
83.01246	4.0
85.02825	13.5
87.00768	2.4
87.04389	43.8
88.04728	0.9
89.02316	34.1
92.54807	0.8
92.99693	1.3
95.01256	7.0
97.02846	1.4
99.00732	2.7
101.02324	28.2
103.03843	1.2
107.01273	2.7
108.02067	11.4
109.02871	5.0
111.00741	4.0
111.04438	1.4
113.02331	16.8
115.00288	0.9
117.05433	1.2
119.03410	14.7
119.04916	23.9
120.05234	1.5
121.02806	0.9
123.00784	5.3
123.04406	3.2
124.01559	1.1
125.02340	16.9
127.07536	0.9
131.03386	1.4
135.04378	1.2
135.06526	20.2
136.98730	1.9
137.02376	1.9
137.36864	0.9
139.00279	7.3
139.11195	6.2
140.01047	1.0
143.03394	3.5
145.02876	1.1
149.04431	1.7
150.02811	0.8
151.00241	2.2
151.99927	1.3
152.01053	14.8
153.01891	5.6
157.12305	1.8
161.04454	9.8
163.03918	21.6
164.98172	2.2
166.99788	3.4
167.03386	5.5
167.10649	1.1
168.00516	2.6
169.01347	18.1
173.02266	1.2
175.03931	1.1
179.05515	8.7
181.01245	0.8
182.99269	1.5
183.10141	1.7
185.00819	1.2
187.03961	1.6
189.01872	0.9
190.99968	1.0
191.05424	1.2
193.16025	0.8
201.01772	2.0
201.11261	67.8
202.11612	3.4
203.03450	1.2
217.01430	1.2
220.63393	0.8
225.11227	1.7
229.01276	1.8
231.02902	1.3
244.00124	1.1
245.00713	1.6
257.00739	1.1
258.86386	0.8
259.02448	1.3
275.01923	5.3
279.10797	2.1
297.11896	100.0
298.12305	5.8
299.99060	1.4
300.99896	7.4
301.99957	1.0
313.05624	12.6
314.05740	1.2
315.07184	5.6
319.07870	0.9
349.18637	4.5
417.94031	1.2
421.20560	1.5
437.07013	5.6
463.05267	1.0
481.05499	6.1
481.09860	14.5
481.18927	2.2
482.05954	1.4
482.10507	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	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.0
57.03309	3.6
59.01249	88.7
61.98702	11.2
65.00196	1.3
71.01250	26.9
71.50567	1.5
72.99166	2.4
73.02815	10.9
74.98949	2.3
75.00735	3.4
77.69550	1.0
79.95591	3.4
83.01247	5.4
85.02821	14.3
87.00751	3.6
87.04394	11.1
89.02315	7.6
93.03334	2.2
95.01250	2.4
96.95881	13.2
97.02795	1.2
99.00771	4.6
101.02318	25.7
102.02565	1.0
107.01277	2.4
108.02027	1.1
109.02847	5.1
111.00756	2.0
111.04362	2.1
113.02315	12.3
117.88819	1.1
119.03381	2.2
120.99525	2.3
123.00783	2.4
123.04398	7.6
124.01530	1.9
125.02329	7.1
129.01817	1.8
135.02888	7.2
135.04407	4.2
136.98965	2.2
137.02330	2.7
139.00285	3.6
139.03893	4.0
139.11151	1.6
143.03387	3.1
145.02817	1.1
149.02356	1.8
149.04463	0.9
149.05817	1.1
150.03152	1.1
151.00255	3.1
151.03842	1.9
152.00963	1.3
152.03442	15.2
153.01842	2.4
153.05460	3.5
155.03386	1.1
159.02902	2.4
159.04291	1.6
161.02368	1.9
161.04469	23.7
163.03900	1.1
167.03336	2.5
168.00589	2.4
169.01311	4.2
169.04970	1.7
173.04439	3.4
173.05916	1.4
175.03922	2.2
177.01764	2.1
178.99829	2.0
179.03438	2.2
179.05457	2.0
181.01328	2.1
183.02957	7.0
187.03914	2.8
187.07593	12.3
189.01869	1.8
191.03636	2.0
191.05519	17.3
193.01297	3.4
201.05426	1.7
201.11249	22.8
202.06261	3.1
202.11520	2.4
203.03448	1.3
213.09294	1.3
215.06976	2.0
218.66266	1.1
229.01360	1.8
231.10297	5.5
231.12238	1.1
237.09749	100.0
238.10069	5.7
245.00967	1.7
261.00391	1.7
263.12924	1.7
271.02164	1.0
271.19067	1.2
273.17017	4.6
274.00854	1.0
275.01950	6.9
275.09213	6.1
299.98831	1.3
300.99820	15.3
301.03415	5.0
302.00381	2.4
305.06775	1.1
307.11734	3.4
310.50879	1.3
313.05533	2.9
316.02222	1.6
317.02768	1.5
318.02676	1.9
327.01581	1.3
327.04633	3.0
327.07272	4.9
333.19208	5.8
439.10468	2.0
481.07568	5.4
481.16864	2.5
481.26544	4.1
482.11765	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	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.7
56.58873	0.8
57.03312	2.8
58.00461	1.9
59.01247	100.0
60.01560	1.0
61.98699	5.4
70.99969	1.1
71.00304	1.8
71.01250	43.2
72.99162	3.9
73.02808	5.5
75.00720	1.1
77.41645	0.8
77.51351	0.8
83.01253	4.4
85.02821	11.9
87.00730	2.7
89.02313	42.7
90.02644	0.9
91.09009	0.8
93.03336	3.3
95.01258	4.0
97.02837	1.2
99.00739	3.3
101.02317	28.0
106.06472	0.9
107.04893	2.7
108.02068	8.7
108.05242	1.1
109.02831	11.7
111.00734	1.5
111.04350	1.2
113.02331	18.5
119.03375	15.4
119.04876	1.3
123.00783	4.8
123.04414	2.0
125.02309	3.2
129.01839	1.0
131.03391	42.8
132.03712	1.4
133.02812	6.3
134.03613	4.6
135.00798	1.0
135.04436	4.8
137.02289	4.7
139.00218	1.9
143.03386	4.1
145.02821	1.6
149.04465	8.3
149.05580	1.3
151.03879	1.1
152.01077	8.4
153.01851	8.2
153.05444	2.2
155.03465	0.9
159.02872	1.0
161.02385	1.9
161.04442	7.8
163.03908	1.0
166.09967	0.8
166.99757	1.6
167.03395	1.0
169.01324	2.8
173.04472	2.2
175.03923	7.3
177.01839	5.5
178.02579	3.2
179.03416	2.1
179.05499	11.4
189.01950	1.0
191.05479	5.1
195.02939	1.4
231.03111	1.0
275.01843	2.6
275.09268	4.5
277.04938	3.2
289.16541	54.2
290.16803	4.6
300.99820	6.1
301.03204	1.9
337.95828	0.9
421.20837	18.5
422.20935	2.1
423.64990	1.0
449.14322	1.5
481.06100	3.8
481.11618	2.6
481.17178	18.6
482.17871	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	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.3
57.03312	2.8
58.00455	1.1
59.01249	75.3
60.01595	0.9
61.98692	5.8
63.94694	0.7
69.03298	1.0
69.29028	1.8
69.29436	5.9
71.01249	35.2
72.99155	2.1
73.02809	13.0
75.00699	1.0
82.05608	0.7
83.01261	7.6
85.02821	19.0
85.92863	0.9
87.00750	2.6
89.02303	7.5
93.03342	2.0
95.01258	3.2
95.04896	3.0
95.96422	0.8
96.95878	1.2
97.02819	1.4
98.19790	1.4
99.00739	6.7
101.02319	35.6
108.02048	12.1
109.02843	9.5
113.02327	17.3
114.01831	0.9
119.03380	2.3
119.04931	0.8
120.99506	1.3
121.02822	1.4
123.00752	2.2
123.04381	2.8
125.02335	6.8
129.01768	1.2
131.03394	39.5
133.02805	2.2
134.03633	8.5
135.02899	1.0
135.04471	5.2
137.02354	5.6
137.05998	6.3
138.05385	0.8
139.03912	1.6
143.03368	1.8
145.02873	1.8
149.04459	1.0
151.00394	1.3
151.03885	1.7
152.01044	11.3
153.01862	5.2
153.05440	1.5
154.99861	0.9
159.02858	3.5
159.04230	1.4
160.01520	0.9
160.27718	0.9
161.02400	6.3
161.04454	16.0
162.04808	1.1
163.03894	1.1
165.01778	1.5
167.03348	0.9
169.01308	2.1
173.04424	1.4
175.03847	2.3
177.01833	3.0
178.02562	2.3
178.99748	1.4
179.03352	1.7
181.08603	7.2
183.10164	1.5
189.01877	6.2
191.03542	1.5
191.05534	2.1
193.04964	1.1
201.01796	1.0
217.01364	2.2
228.04172	0.9
229.01364	1.5
231.02823	1.2
232.03638	1.5
242.02209	0.9
243.02901	1.3
247.06018	3.8
255.02911	2.6
257.01001	0.9
275.01865	4.4
275.09372	1.1
276.02411	0.8
281.04422	1.7
283.02307	1.2
289.16562	100.0
290.16986	7.5
301.00021	9.3
301.03333	1.0
302.00180	1.1
307.11935	7.5
333.15536	1.9
341.06424	4.1
349.22183	1.5
357.06213	0.9
407.07672	8.0
408.07965	1.6
421.20764	19.3
422.21326	2.0
481.06192	3.4
481.11871	1.0
481.17075	24.4
481.22311	1.5
482.17599	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.1
57.03315	0.9
59.01252	6.7
61.98707	0.9
63.40617	0.5
64.15993	0.6
65.00214	0.6
67.01767	0.7
71.01251	10.1
71.51252	1.0
72.99174	1.5
73.02811	2.3
78.95778	0.8
79.01783	0.8
81.42885	0.5
83.01257	2.3
85.02821	4.4
87.04401	0.6
89.02319	2.3
95.01260	1.8
96.42099	0.6
96.95921	1.0
97.02867	1.4
99.00756	1.1
101.02315	5.3
103.01209	0.5
107.01265	10.2
109.02891	0.7
111.00764	2.5
113.02319	3.4
123.00777	8.1
123.04326	1.0
124.01576	2.8
125.02332	72.2
126.02654	1.9
127.00243	0.8
136.98726	1.8
137.02347	1.0
139.00238	3.8
139.03848	0.8
140.01064	3.3
141.01811	1.0
151.00261	6.7
153.01773	0.7
154.99754	0.6
161.02333	0.8
161.04414	1.7
165.01819	1.6
166.99605	0.6
167.03394	1.3
167.10753	0.6
168.00549	11.5
169.01331	100.0
170.01703	4.2
179.03392	0.7
183.02931	0.9
193.01376	0.7
203.03416	1.0
211.02414	37.9
212.02834	1.1
219.03134	0.7
229.01270	0.8
241.03496	4.1
253.03441	0.8
257.00925	1.2
271.04572	56.6
272.04828	2.9
275.02045	2.7
300.99863	9.0
313.05630	48.5
314.05865	2.6
315.31421	0.6
331.06653	7.1
349.22299	1.4
481.07083	3.7
481.17099	61.9
481.28174	5.0
482.17447	6.8
482.28705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	6-O-(4-Methoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
57.03327	0.9
59.01245	6.4
61.98694	2.6
65.14578	0.6
69.03304	0.8
69.26701	7.0
71.01252	10.7
73.02826	3.2
76.65401	0.7
78.95805	1.1
81.03336	2.6
81.27235	0.7
83.01261	1.5
85.02814	7.6
85.06466	1.9
89.02325	3.1
93.03345	4.9
95.01241	3.1
97.02811	0.9
98.04994	0.7
99.00751	2.1
101.02322	6.7
108.02053	70.4
109.02848	54.1
110.03197	1.6
113.02343	4.9
119.03343	1.1
119.04922	0.8
121.02863	2.2
121.54774	0.6
122.03622	1.4
123.00793	3.3
123.04407	68.2
124.04755	3.0
125.02346	2.1
131.03413	2.0
133.02831	1.0
134.03674	1.8
135.04446	1.8
137.02357	1.8
145.02872	1.1
151.03925	1.8
152.01057	85.6
152.99500	2.3
153.01865	23.3
153.05475	96.7
154.05852	4.1
159.02966	0.9
160.01611	1.1
161.02412	1.6
161.04517	2.2
163.04001	1.3
165.01869	1.9
173.04448	5.9
175.03947	3.0
177.01787	1.7
179.03477	0.9
183.10202	1.3
189.01813	0.7
191.05421	0.7
193.05025	1.1
203.03371	1.0
215.31938	0.8
275.01926	2.0
289.16428	1.3
300.99988	3.8
315.07248	7.4
315.10706	1.6
347.22321	0.7
421.20880	0.8
463.16092	50.8
464.16333	5.9
481.06076	2.5
481.17084	100.0
482.17453	14.3
499.09619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09393	0.6
56.02095	0.6
57.03314	0.9
59.01246	6.5
61.98682	3.0
67.01733	0.9
69.03320	0.8
69.26683	7.4
71.01250	11.5
72.01615	0.7
73.02803	3.1
78.95794	1.0
81.03321	1.7
83.01231	1.9
85.02821	8.4
85.06417	1.6
89.02303	3.2
93.03342	4.2
95.01254	4.1
96.58598	0.7
98.19805	1.2
99.00742	1.6
101.02338	5.9
108.02048	66.8
109.02840	50.2
110.03194	1.3
113.02329	4.2
119.03394	1.0
120.24911	0.7
121.02895	1.1
122.03619	1.1
123.00772	2.7
123.04404	67.4
124.04729	1.7
125.02289	1.1
131.03358	1.3
132.38176	0.9
134.03600	1.2
137.02342	1.7
151.03871	1.6
152.01053	85.9
153.01866	24.9
153.05470	94.5
154.02179	1.5
154.05763	2.7
160.01573	1.5
161.02330	1.3
161.04420	2.9
163.03941	1.5
165.01805	1.6
165.09125	1.1
173.04518	4.9
175.03984	1.6
179.03380	0.7
183.10184	1.3
275.01978	1.8
294.32925	0.8
301.00037	3.8
315.07324	7.4
315.10608	1.6
463.16092	49.1
464.16275	5.0
481.05865	2.4
481.17081	100.0
482.17337	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91002	0.7
59.01242	3.1
63.04005	0.7
67.63273	0.8
69.03311	0.8
69.47793	5.4
71.01243	5.4
73.02812	1.9
81.03327	1.7
83.01266	1.0
85.02824	4.3
95.01273	2.2
99.00737	0.8
101.02322	3.2
108.02051	62.9
109.02844	51.2
110.03174	1.1
113.02348	2.8
123.00751	2.4
123.04482	1.2
131.86151	0.7
137.02309	0.9
139.11156	0.9
146.89229	0.8
152.01057	71.8
153.01854	21.9
160.72215	0.6
161.02449	0.9
163.03922	1.1
165.01857	1.1
169.01434	0.7
174.03104	4.1
175.03905	5.2
183.10188	1.5
191.05435	0.7
200.61220	0.7
203.10703	1.2
218.02129	7.2
219.02611	1.1
231.10136	0.8
233.39558	0.7
275.01880	0.8
300.99902	1.5
301.99725	0.9
315.07233	4.5
341.06403	1.0
421.20825	2.1
481.17172	100.0
482.17514	13.9
506.20868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57125	0.3
52.77984	0.4
53.78509	0.3
57.03319	1.8
59.01257	1.7
61.98692	1.0
68.99664	0.4
69.03329	0.7
71.01256	4.1
73.02821	1.2
81.03333	1.3
82.81136	0.4
83.01248	1.1
85.02811	3.9
87.04388	1.0
89.02327	0.5
93.03331	38.4
94.03664	1.3
95.01268	2.5
95.04884	1.4
97.02776	0.5
99.00797	0.5
101.02316	2.3
107.01218	0.5
108.02050	43.1
109.02836	70.9
110.03146	2.2
111.00734	0.5
113.02311	2.0
113.03009	0.4
115.39440	0.3
119.04958	0.4
119.65485	0.3
120.99538	9.9
121.02831	1.4
123.00764	4.0
123.04392	2.2
124.01522	1.2
125.02335	1.2
125.05968	0.4
133.02870	0.6
134.03592	0.4
135.00783	0.6
135.04424	1.3
136.01532	0.3
137.02338	49.5
138.02711	1.4
139.03850	0.6
145.02840	0.5
147.04446	0.5
149.02342	0.9
151.00316	0.8
151.03889	1.3
152.01050	45.3
153.01839	41.8
154.02203	1.5
160.01503	0.3
161.02325	1.4
161.04434	0.8
163.03841	0.9
165.01921	0.7
166.99785	0.4
167.42899	0.3
168.00514	0.4
169.01332	0.5
173.04514	1.0
175.00328	0.6
175.03888	0.7
177.01862	2.2
179.03534	0.4
181.08612	3.4
182.09212	0.3
183.10138	1.4
187.03899	0.7
187.07510	0.4
189.01866	4.1
190.02567	2.2
191.03438	1.4
191.05463	0.7
195.02893	0.5
201.11183	0.4
203.03482	0.7
205.04994	1.4
216.00487	0.4
217.01353	3.4
219.02882	1.1
229.28252	0.5
231.02869	0.8
231.10185	0.5
265.04785	0.4
268.19040	0.4
275.01898	0.5
289.16623	0.5
297.06329	0.4
300.99802	2.5
301.03464	1.1
303.85455	0.4
315.07187	3.9
319.13779	0.6
341.06616	8.3
342.06802	0.8
411.12357	0.4
437.14554	0.8
481.17139	100.0
482.17529	14.7
482.24438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.23870	0.8
59.01255	4.7
59.93570	0.9
69.03333	1.3
69.71753	2.9
69.72157	1.7
71.01252	9.6
72.99149	1.4
73.02801	0.9
79.01781	0.9
83.01253	1.1
85.02832	2.4
87.04394	2.8
89.02323	4.6
95.01261	2.5
97.02827	1.3
101.02307	4.5
107.01260	10.9
108.02051	14.3
109.02847	2.2
111.00780	1.7
113.02313	3.2
119.03378	1.9
119.04903	2.5
123.00764	10.4
123.04405	7.8
124.01595	1.1
125.02332	64.9
126.02661	1.2
127.00343	0.8
136.98666	1.2
139.00294	4.4
139.03847	1.2
140.01013	2.5
141.01758	1.3
151.00267	8.4
152.01048	31.5
153.01752	3.6
161.04468	0.9
163.03937	2.0
165.01868	1.1
166.66609	0.8
167.01971	1.6
167.03406	32.4
168.00525	3.6
168.03848	1.0
169.01328	100.0
170.01663	3.6
177.01880	1.0
178.78679	0.8
179.05600	1.1
183.02884	0.9
201.11298	4.5
211.02385	1.5
241.03499	3.0
253.03648	1.1
261.98865	0.8
273.01492	1.0
275.02087	1.6
297.11905	6.7
300.99890	2.4
313.05634	67.2
314.05963	3.7
327.07092	1.9
416.48978	0.9
437.10980	5.8
438.10977	1.1
481.09875	95.2
482.10281	12.4
482.82028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1349
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
50.59844	0.9
57.03315	1.5
59.01249	15.9
65.00190	1.9
67.01750	2.6
68.99700	1.4
71.01253	16.7
71.38039	2.1
72.99158	1.3
73.02812	2.6
75.00740	1.3
81.03307	1.3
83.01267	7.2
85.02816	8.4
87.00750	3.7
89.02313	3.8
93.03331	6.1
95.01254	7.0
97.02824	1.6
99.00745	3.5
101.02325	7.0
107.01262	2.3
108.02063	2.2
109.02821	5.1
109.99957	1.6
111.00747	8.4
111.04356	2.1
112.98682	2.4
113.02344	5.2
119.04916	1.4
120.99546	2.5
121.02816	9.3
123.00770	72.1
123.04408	3.5
124.01562	44.0
125.02377	7.1
125.99454	1.2
127.00266	6.8
131.03333	1.0
133.02812	0.9
135.04362	2.2
136.98705	4.5
137.02347	16.4
137.99472	2.5
138.03131	25.4
139.00291	12.4
139.03914	26.6
140.00815	0.8
141.01788	2.5
149.04459	0.9
149.86769	0.9
151.00253	2.2
151.03889	1.2
152.01016	4.1
153.01857	10.6
153.05458	8.4
153.09067	0.9
154.02621	6.0
155.03362	4.3
158.99864	1.1
161.02351	2.0
161.04454	1.9
165.01747	1.4
166.99802	5.7
167.03389	7.5
167.18898	0.9
168.00511	4.5
168.04070	1.2
169.01300	2.6
169.04950	3.6
172.05246	1.0
173.02330	1.0
173.04459	5.6
173.05785	1.1
177.01799	1.8
179.03363	1.6
179.10870	1.1
181.01321	8.7
181.04976	2.2
182.02127	17.9
183.02910	17.6
183.55650	0.8
184.03290	1.6
184.04929	1.1
185.11720	1.2
187.03941	1.9
187.07549	11.2
191.05522	15.9
196.03653	1.8
197.04480	30.3
198.04845	1.2
201.05423	1.3
202.06302	3.1
205.04868	1.7
211.05946	1.0
213.09219	1.1
213.11183	2.0
215.07094	2.3
225.04013	1.5
229.01338	1.2
231.10152	4.7
239.12927	1.1
257.00940	1.0
257.04715	1.4
257.08142	1.0
263.12802	2.6
271.02286	1.0
275.01926	2.7
275.09256	6.2
281.06552	1.1
285.00085	1.2
289.15454	1.4
296.05429	1.6
297.06183	1.4
300.02521	1.3
301.00012	5.8
301.02896	1.2
301.12781	1.9
302.00171	1.8
307.11884	6.8
311.07666	10.4
318.02969	1.5
319.13959	3.4
326.06375	3.8
327.07224	13.6
337.10330	1.7
341.08768	63.6
342.09042	6.6
349.18524	1.4
449.08716	1.3
466.11084	3.6
481.13470	100.0
482.07236	1.3
482.13647	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	481.0989
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.19093	1.5
56.42593	1.2
57.03317	3.9
58.00467	1.6
59.01247	17.8
61.98701	5.9
67.01743	1.6
67.81394	1.4
69.03324	2.0
71.01250	23.4
72.99136	2.4
73.02818	4.7
75.00731	3.6
79.45267	1.7
81.03313	2.7
83.01253	4.1
85.02820	8.7
87.00775	2.8
87.04390	12.4
89.02302	10.7
95.01269	5.5
97.02821	2.9
99.00741	3.9
101.02317	11.4
107.01269	9.5
108.02033	13.2
109.02853	3.6
111.00760	4.3
113.02306	8.9
119.03411	4.4
119.04886	7.6
123.00777	12.1
123.04451	7.2
124.01582	2.0
125.02331	70.4
127.00211	1.5
130.57040	1.5
131.99771	1.7
135.02844	2.7
135.06551	5.7
137.02371	3.4
139.00253	5.7
139.03911	3.5
139.11162	2.8
140.01074	4.8
141.22838	1.4
149.02351	2.0
151.00267	9.7
152.01062	30.8
152.02087	1.1
153.01834	7.2
153.45056	1.3
161.04483	3.3
163.00246	1.6
163.03914	6.7
165.01837	4.0
166.02681	1.8
167.03409	29.2
168.00526	8.2
169.01329	85.6
170.01663	3.5
173.02350	2.2
177.01773	1.9
178.99878	2.1
179.05597	1.9
183.02881	2.5
190.02579	2.0
191.03340	2.1
193.01331	11.8
201.11281	17.6
203.03497	1.5
211.02458	2.3
216.00632	5.3
229.01389	4.7
233.04463	1.9
241.03537	1.7
244.00104	11.9
245.00873	9.9
247.62779	1.8
255.03067	2.0
257.01114	1.9
258.01804	1.6
259.02408	16.6
260.03192	10.8
275.02051	7.1
275.05649	10.4
283.02490	4.8
297.11914	23.7
300.99930	15.9
301.03220	3.1
302.00125	3.2
313.05640	47.5
314.05826	3.3
315.07428	2.8
327.07291	2.6
334.23120	1.5
355.06760	4.5
422.08966	1.6
437.11118	6.3
463.08972	5.7
481.09973	100.0
481.19360	7.3
482.10403	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	481.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37498	4.8
57.03326	5.3
59.01247	43.7
61.98712	13.4
65.00192	14.6
67.01765	9.9
68.99677	8.2
69.75204	24.6
69.75620	12.6
71.01239	29.5
83.01256	14.4
85.02817	15.6
89.02343	12.8
93.03321	25.4
95.01248	30.2
95.04903	7.2
96.95866	9.7
97.02804	12.3
98.20530	10.2
99.00765	19.9
101.02339	15.6
104.60954	5.4
107.01244	10.8
108.02080	8.0
109.02859	32.7
109.99976	5.7
111.00758	35.0
111.04500	5.8
113.02324	14.6
117.19141	5.3
119.04944	6.1
120.99541	36.3
121.02831	9.6
123.00777	50.1
123.04367	14.3
124.01603	6.3
125.02343	46.2
131.04973	5.6
133.02850	12.3
135.02870	6.3
135.04411	53.1
136.98680	5.9
137.02385	37.3
137.06021	9.0
139.00291	40.1
140.00969	8.8
141.01814	9.1
142.72536	4.9
143.04919	5.3
145.02840	17.1
147.04416	12.2
148.01514	9.4
149.02347	15.8
151.00273	41.9
151.03796	8.6
152.01039	9.0
153.01828	16.8
153.05426	6.8
154.99777	42.1
157.02872	11.0
159.03078	5.2
159.04404	25.1
160.01564	5.7
161.02359	28.1
161.04497	8.8
163.00294	19.4
163.03894	11.0
165.01805	14.4
165.98967	6.3
166.99786	48.6
167.03421	12.9
168.00514	11.4
169.01387	37.1
169.02716	8.8
173.02359	12.2
173.04483	38.3
174.03159	11.3
175.03880	20.0
177.01848	28.1
177.78436	6.4
178.99799	32.9
179.03365	34.9
181.01366	14.3
184.00060	12.4
185.02373	9.7
187.03920	18.0
187.07646	11.5
189.01810	17.0
189.05646	5.5
190.02597	14.5
191.03433	12.9
191.05490	19.4
193.01312	11.9
194.99283	23.7
195.06526	11.0
199.03812	7.9
201.01836	13.3
202.02644	22.1
202.06300	12.4
203.03430	27.3
204.04185	5.8
205.01329	12.6
205.04921	6.9
206.99321	6.7
207.02751	8.0
211.02350	8.6
213.01831	12.1
215.03430	10.5
215.06900	6.3
217.01324	13.6
217.04951	7.1
219.02866	7.6
221.00821	8.7
229.01416	14.8
230.02098	8.1
231.02945	28.1
233.00873	9.7
233.04774	9.3
241.01283	7.9
243.02960	21.7
245.00745	9.5
247.02414	12.3
255.02988	8.1
257.00879	10.2
258.01651	12.4
259.02469	28.6
261.00381	12.0
261.03940	12.5
269.01007	7.3
270.99011	6.3
271.02435	19.0
272.02802	5.9
274.01181	11.1
275.02051	39.5
275.09134	9.2
276.02521	7.5
277.03510	16.9
285.00323	9.0
287.01987	73.7
299.99472	6.8
300.02814	22.0
300.99844	87.8
301.03485	37.0
302.00159	9.2
303.01358	18.0
303.04794	8.1
305.02972	19.8
307.11633	18.7
312.99719	11.5
315.01410	33.2
319.11859	15.2
325.05542	19.3
331.00888	50.3
332.01370	8.1
345.04504	38.5
348.01117	8.6
349.01819	8.9
349.05847	6.4
393.13763	13.5
407.06268	17.4
433.08209	7.7
437.07199	13.2
448.06424	7.5
449.08228	9.6
455.69650	6.8
463.05215	19.7
481.05817	75.2
481.17282	100.0
481.23297	8.7
482.17770	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.3
66.74631	0.5
70.78263	1.0
70.78577	0.8
71.01260	0.7
83.46481	0.5
101.02299	0.6
123.00768	2.4
125.37704	0.5
145.02870	0.7
147.04376	0.9
173.02393	1.3
175.03859	0.8
177.01830	0.6
185.02348	1.0
187.03958	0.5
191.03401	1.0
194.28035	0.5
201.01817	1.6
203.03401	3.4
213.01927	1.2
217.41977	0.6
219.02951	0.8
229.01393	4.9
231.03029	3.9
247.02284	1.4
249.04092	2.8
257.00885	8.2
258.01614	2.6
275.01968	48.6
276.02255	3.7
283.99600	0.6
299.99072	1.1
300.99890	100.0
302.00208	8.3
302.03406	0.9
319.00803	0.7
380.57001	0.6
421.04102	1.3
430.06311	0.6
430.61435	0.7
481.06216	86.9
482.06607	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	481.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90339	0.3
58.22268	0.3
59.01258	2.5
69.21452	3.2
71.01257	1.5
72.99160	0.4
75.00771	0.5
83.01236	0.4
85.02829	1.1
87.00759	0.3
89.02306	0.4
95.01270	1.3
99.00729	0.3
101.02309	0.6
101.03909	0.4
113.02341	0.7
117.03335	0.7
119.04950	0.7
123.00786	3.3
125.02328	1.8
129.03369	0.6
131.04912	0.6
133.02858	0.8
137.02322	0.4
139.00528	0.7
139.29140	0.3
145.01599	0.4
145.02855	3.0
147.04449	3.3
148.04855	0.3
149.02322	0.3
155.76608	0.3
157.02872	2.0
159.04417	1.7
161.02351	1.0
163.00250	0.4
163.03893	1.6
164.01192	0.4
166.99799	0.9
169.01331	0.7
173.02361	3.9
174.03021	0.6
175.03909	4.1
176.04242	0.4
177.01822	1.1
185.02356	4.8
186.02765	0.5
187.03928	1.0
188.01097	0.3
189.01883	1.2
190.02658	1.1
191.03450	3.8
200.01054	0.5
201.01846	7.8
202.02480	0.7
203.03426	9.2
204.03783	0.4
205.01349	0.6
213.01823	2.1
214.02563	1.0
217.01367	1.4
218.02188	0.4
219.02963	2.5
221.04387	0.4
226.99817	1.1
228.00575	0.6
229.01370	18.5
230.01848	1.6
231.02921	5.3
240.00650	0.3
245.00847	3.0
247.02440	2.8
248.03020	0.4
249.04019	2.3
254.99359	0.3
256.00165	0.3
257.00891	15.6
258.01617	8.1
259.02109	0.6
273.00372	1.3
274.01114	2.0
275.01959	51.5
276.02292	3.3
283.99612	4.0
299.99173	3.3
300.99878	100.0
301.97049	0.5
302.00244	7.5
421.03915	0.9
450.10278	0.4
481.06152	52.0
482.06433	5.5
482.12503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	23.2
58.00469	2.5
58.70653	1.3
59.01246	49.8
61.98686	1.6
70.81375	3.8
71.01250	44.6
72.99172	5.6
73.02810	8.5
74.10577	1.3
75.00738	6.1
75.41311	1.1
83.01251	4.7
85.02814	12.2
87.00765	4.9
89.02315	40.9
89.02846	2.5
93.27152	1.2
95.01266	1.7
95.04922	1.2
97.02825	1.5
99.00748	2.3
101.02321	30.6
109.02812	1.8
109.06450	1.7
113.02330	16.5
115.03893	2.4
119.03393	18.3
123.04401	1.3
123.08033	1.8
125.02375	3.1
125.05967	5.1
131.03413	2.8
133.04947	13.0
135.02905	2.6
135.04413	2.1
135.06552	1.5
136.99007	1.8
137.02318	1.7
137.06009	1.7
139.07549	19.9
139.09193	1.2
143.03404	3.9
143.98865	1.2
145.04945	1.7
149.04460	1.5
150.03113	1.3
151.06018	32.9
152.01074	1.8
160.01498	1.4
161.02388	1.7
161.04486	8.0
165.01952	1.6
165.03812	1.3
165.05466	3.0
167.03394	4.8
167.07034	13.3
169.01357	2.7
175.06039	10.8
179.05510	13.4
181.08621	2.0
183.10179	100.0
184.10519	4.2
195.06522	3.0
197.11754	15.2
205.07227	1.5
207.10005	1.5
216.00580	1.4
217.07178	1.8
225.11276	25.6
231.02998	1.4
245.00911	2.9
246.57846	1.4
255.12328	7.4
270.98724	1.7
271.02374	3.1
271.99570	4.4
273.00357	5.5
274.00995	1.6
285.13351	4.3
295.10309	41.2
296.10654	1.6
297.11780	3.5
298.98315	3.4
299.01910	3.0
299.99347	1.9
300.99814	3.1
313.11383	78.9
314.11697	4.3
315.98572	5.5
316.02118	2.5
316.99371	5.8
317.06552	3.0
363.10794	1.4
380.00278	1.5
435.05615	1.6
454.70624	1.4
464.61890	1.3
479.04327	10.1
479.11383	3.3
479.21979	9.8
480.05237	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87496	0.7
55.01774	0.8
57.03322	2.3
59.01246	100.0
60.01582	1.1
61.98692	1.5
67.01750	1.5
69.03310	1.6
70.37652	2.8
71.01247	17.5
72.99192	1.5
73.02823	8.9
75.00735	1.7
80.02583	0.8
81.03344	1.5
83.01251	5.8
85.02819	7.7
85.72508	0.7
87.00757	3.1
89.02304	4.2
91.01765	2.1
93.03319	1.3
95.01275	3.4
95.04897	30.1
96.05236	0.9
97.02836	1.5
99.00754	2.6
99.04401	1.7
101.02322	15.7
107.01275	4.3
108.02048	24.6
109.02843	9.6
111.00780	1.7
113.02338	7.0
118.97967	0.9
119.03419	1.7
119.04951	1.5
119.08568	2.3
120.99549	1.7
121.02841	1.0
123.00747	4.3
123.04408	21.0
123.05306	1.3
124.01595	1.1
125.02325	6.4
128.76038	0.7
131.03474	0.7
133.02861	0.8
134.03722	1.3
135.04442	2.2
136.98943	0.7
137.02336	3.0
137.09660	1.1
139.00275	1.6
143.03403	2.2
145.02814	1.0
147.04384	0.9
149.04492	0.8
151.00262	13.9
152.01054	48.6
153.01826	16.5
154.02164	0.7
155.03474	0.8
159.02986	0.8
159.04359	0.9
159.06563	0.8
160.01584	1.3
161.02394	3.5
161.04443	5.6
163.00322	1.0
163.03906	1.6
163.07567	2.2
165.01851	1.3
165.05453	0.8
165.12782	1.2
166.02589	6.4
167.03403	72.1
168.03720	3.4
169.01297	1.2
174.03128	1.1
175.02519	0.9
175.03870	4.4
177.01865	3.2
177.05495	0.9
178.02257	0.8
178.99753	4.8
179.03426	1.2
181.05106	6.3
181.08609	65.8
182.08932	3.6
183.10181	1.3
185.11752	2.3
190.02641	1.4
191.05583	2.6
195.02937	0.7
199.03981	1.4
199.09732	1.1
203.03485	1.1
204.99609	3.7
206.00049	2.8
207.13817	4.4
209.11757	5.4
219.02914	0.9
225.14890	7.9
227.12828	31.8
228.13135	2.1
229.08736	1.0
237.09744	15.3
243.02934	0.9
245.01028	1.3
251.12994	1.8
255.02759	0.9
269.13907	7.2
271.02518	3.6
273.00565	1.1
273.04086	1.0
275.02078	1.5
287.02084	1.5
287.14981	87.2
288.15347	5.2
293.13968	1.7
296.05539	2.2
297.06119	27.4
298.06549	2.0
299.02106	2.4
299.99213	2.4
300.99957	4.6
301.03610	3.4
302.00894	0.8
302.04041	2.7
303.04099	6.0
304.04221	0.9
311.07660	25.1
311.15070	0.8
312.08252	2.7
316.02274	7.5
317.03036	7.3
317.06781	3.3
318.03366	1.0
329.16028	4.3
330.16745	0.8
356.98904	1.9
359.17044	1.0
389.18097	15.0
390.18567	1.5
419.19351	1.5
479.12015	20.0
479.21439	8.6
480.06070	1.2
480.13004	1.5
480.21805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58768	0.8
55.01761	1.2
56.37916	0.8
57.03330	6.3
58.00465	3.4
59.01247	61.1
61.98711	4.3
68.49252	0.8
69.03326	8.0
70.81436	1.1
70.81772	1.5
71.01250	53.1
71.04887	2.6
72.99171	2.9
73.02816	11.4
75.00736	2.6
79.05373	0.9
79.95602	6.4
81.03334	1.3
81.95184	0.9
83.01244	5.2
85.02819	22.7
85.03296	1.6
86.03650	1.3
87.00758	3.3
87.04391	3.0
89.02315	39.8
93.03326	3.0
95.01257	3.8
95.04897	27.5
96.95887	21.6
97.02815	1.7
98.95468	2.1
99.00749	3.0
101.02312	31.9
103.03870	0.8
108.02052	2.2
109.02827	3.5
109.06467	1.3
110.85432	0.9
111.00746	1.6
111.08046	2.5
113.02330	15.6
113.05983	1.0
115.03863	1.8
115.06264	0.8
117.05444	3.2
119.03391	17.6
119.04877	6.4
119.08544	3.8
120.05229	2.0
121.02885	1.2
122.03638	1.2
123.00804	2.5
123.04323	1.9
123.08071	1.0
125.02324	6.9
125.06032	1.4
126.02705	1.7
127.07510	4.2
131.03381	2.2
133.02831	0.9
133.04936	8.1
135.02901	6.2
135.04413	2.0
135.06516	27.3
136.33513	0.9
137.02351	3.8
137.05980	4.4
137.09686	1.1
138.03111	1.3
139.11180	22.5
140.11490	1.3
142.33208	1.0
143.03362	2.8
149.02414	2.3
149.04417	1.8
150.03104	2.7
151.00224	1.0
151.06015	15.4
151.11266	0.9
152.01021	2.5
153.01834	1.6
155.07053	2.1
155.10675	6.7
161.04454	9.0
163.03918	2.2
165.05545	1.4
167.03400	1.0
169.01355	5.8
170.01611	1.1
171.01886	1.4
175.06058	5.1
179.05547	7.1
181.08615	37.6
182.02089	1.2
182.08896	2.4
183.10184	75.8
184.10500	3.4
187.06148	0.8
194.09772	0.8
195.06670	1.0
197.04501	2.4
197.11745	7.5
198.06790	1.0
198.11945	0.8
199.09686	3.7
205.07074	0.9
213.09138	6.6
214.09373	1.1
225.11241	9.2
229.12245	2.3
255.12416	1.0
259.02475	1.6
271.02460	2.9
273.11267	3.1
281.06653	1.1
284.02972	1.3
285.13629	1.0
287.01944	1.6
295.10339	18.8
296.10840	1.0
297.11893	100.0
298.12088	4.7
299.05551	1.5
301.00140	1.0
313.05707	2.1
313.11398	26.8
315.07040	3.0
316.02271	7.5
317.03061	2.0
317.06656	4.7
317.10471	3.5
331.17477	1.4
361.09387	1.6
431.16852	1.7
435.12216	1.9
439.09628	1.1
479.11234	23.8
479.21219	13.6
480.11172	3.5
480.21484	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	479.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.4
61.98674	1.2
65.00170	2.4
67.44884	1.1
70.50730	2.5
71.01221	3.8
73.02800	1.0
83.01225	1.7
85.02783	1.0
86.84923	1.0
93.03288	4.0
94.60799	0.9
95.01228	2.1
98.19881	1.0
101.02291	2.6
107.01206	2.9
108.02048	6.2
109.02872	8.1
109.99927	3.8
111.00723	2.3
121.02789	1.3
123.00717	1.8
124.01495	1.4
125.02280	2.2
133.02788	4.2
134.03055	1.3
135.02805	2.9
135.04350	1.5
137.02312	4.7
137.99438	2.2
139.00191	3.8
148.01433	1.3
149.02274	1.6
151.00284	8.0
151.03812	1.4
152.01031	9.2
153.01820	5.3
154.01431	1.4
158.03667	1.1
161.02380	6.5
161.04506	1.2
162.02649	2.5
163.00293	2.4
163.02850	1.3
164.00940	2.6
165.98885	2.8
166.99649	3.6
169.01251	1.6
171.04384	1.4
174.03165	1.6
175.03778	1.4
178.99786	7.2
179.03346	2.0
180.00031	1.3
181.04878	1.9
182.26653	0.9
183.02713	1.1
183.04364	1.3
187.03857	2.7
189.01791	1.8
194.99165	1.1
198.02934	1.1
199.03818	4.0
201.01898	1.3
203.03276	3.2
205.01218	1.3
213.09111	2.0
214.02470	2.7
215.03293	3.0
227.03244	3.9
227.12762	4.7
229.01259	1.5
231.02800	3.2
241.01469	1.3
242.01959	3.1
243.02943	7.2
244.03452	1.5
245.04402	1.6
255.02971	5.6
259.02267	3.0
270.01483	3.9
271.02466	30.3
272.03049	6.3
273.03745	3.8
273.11157	1.4
287.01947	11.9
287.15018	13.2
288.02621	6.3
298.01053	1.4
298.98776	1.6
299.01904	24.3
300.02176	3.6
301.03256	3.1
302.03778	2.0
303.04077	4.7
315.01093	1.1
315.06979	2.0
316.02188	55.4
316.07388	2.4
317.02954	35.5
317.07245	5.1
318.03027	2.6
327.06912	2.8
341.08530	1.2
343.06381	2.4
343.10449	1.2
449.21890	1.0
461.07056	3.0
479.07996	100.0
480.08527	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	479.0828
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
56.79593	0.3
59.01253	1.1
61.98694	0.4
65.00186	0.6
68.28629	0.4
69.44942	2.5
71.01259	0.6
72.99199	0.7
83.01279	0.4
85.02842	0.5
89.02334	0.8
101.02329	0.6
107.01273	1.3
109.02828	0.6
124.01547	2.1
125.02331	0.9
126.36384	0.3
135.02850	0.5
137.02321	1.8
138.24667	0.3
148.01527	0.4
151.00262	5.0
152.01047	0.5
161.04517	0.4
163.00235	1.0
164.01060	1.5
165.05450	0.4
169.01334	0.8
175.04007	0.4
178.99799	7.2
179.03397	0.4
181.08661	0.8
182.18414	0.4
203.03403	0.9
204.04192	0.7
214.02640	5.5
215.03284	1.0
227.03378	1.1
235.87599	0.3
242.02124	4.5
243.02943	2.9
244.03461	0.4
245.12309	0.4
259.02438	5.4
260.03055	0.5
270.01715	7.0
271.02454	35.8
272.02753	2.6
287.01965	19.5
288.02356	2.5
297.11725	0.6
299.01947	0.6
305.69595	0.4
315.01346	0.8
316.02206	100.0
317.02820	22.4
318.03357	1.2
329.03226	0.5
347.21741	0.4
479.08261	70.8
480.08612	9.7
482.85040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0827
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
59.01239	5.4
62.93993	1.9
65.00185	8.5
66.30133	1.6
69.99291	8.6
71.01239	4.0
72.11100	1.6
77.59499	1.6
78.95752	1.7
83.01244	2.9
87.60159	1.6
89.02319	2.3
95.01252	3.3
96.99153	1.6
98.19890	2.5
103.77000	1.9
106.00523	2.2
107.01248	7.8
109.02837	11.2
111.00750	7.8
117.91193	1.7
120.99541	1.6
121.02849	2.7
123.00731	6.3
123.01604	1.6
124.01514	2.5
124.98660	2.9
125.02316	6.6
131.04898	1.8
133.02861	3.5
135.00844	2.5
136.98672	2.5
137.02328	3.2
139.00269	8.5
143.04929	2.7
145.02774	2.0
148.01486	2.0
149.02312	3.2
149.99446	3.2
151.00258	25.6
152.00885	2.3
153.01814	3.8
154.99783	2.6
159.04402	3.5
161.02321	7.1
161.05969	2.0
163.00172	2.2
164.98218	2.7
165.01793	2.7
165.98921	3.1
166.99783	5.2
168.00526	7.1
169.01318	4.1
171.04369	2.1
173.02284	2.1
174.03156	2.2
175.03899	5.8
176.01001	2.2
177.01852	3.4
177.98953	6.7
178.99771	44.2
180.00073	2.0
181.01295	2.5
187.03958	8.3
189.01865	4.8
190.02498	3.7
191.03326	2.4
192.00327	2.2
193.01448	2.5
194.99185	5.3
197.00844	2.4
199.03928	4.2
201.01834	3.1
203.03499	10.6
204.97652	2.3
204.99490	2.3
205.01318	3.5
205.05005	4.5
207.03023	3.3
213.01839	2.0
215.03436	7.3
217.01335	2.4
219.02968	3.2
222.98752	2.5
227.03502	2.1
229.01320	2.7
230.02086	1.9
231.02858	6.1
232.03783	9.2
233.04510	16.7
234.04807	2.7
241.01326	2.7
242.02191	2.5
243.02939	13.3
245.00772	2.5
245.04532	4.2
247.02399	3.4
257.00946	2.5
259.02463	10.2
260.03137	2.6
261.04034	13.6
269.00836	2.8
271.02481	20.1
272.03006	2.1
275.25586	1.9
286.01120	2.8
287.01978	37.3
288.02527	6.8
289.03497	13.2
297.00400	4.2
299.01907	4.5
300.02579	2.1
301.03302	3.3
303.04324	2.2
305.02994	2.7
314.00632	4.0
315.01459	100.0
316.01849	11.4
317.02844	3.1
324.93338	1.7
327.07278	3.2
332.01727	17.4
333.02505	21.7
339.07401	3.9
343.06592	7.0
379.10422	5.4
407.09674	4.6
435.09210	2.2
451.08707	2.5
461.07199	8.4
479.08224	60.9
479.20306	2.4
480.08780	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	479.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
59.01245	18.5
61.98708	10.9
69.91047	5.6
71.01270	9.6
72.99178	2.2
73.02806	4.5
74.02350	2.5
75.00725	2.3
85.02815	4.5
89.02303	4.9
101.02332	8.3
108.02057	2.7
109.02837	2.9
111.00748	1.9
113.02314	6.0
117.03342	2.8
119.01258	1.8
119.03397	3.2
120.99524	5.0
121.02802	2.6
123.00773	2.2
123.04362	2.7
125.02332	3.6
128.03410	6.9
130.00430	2.3
131.01308	3.4
132.02025	2.0
137.02341	4.4
137.09641	2.0
139.65352	1.6
143.04460	2.4
145.02840	4.2
147.00769	3.1
148.01556	2.4
151.00259	5.6
152.00894	1.8
153.09103	3.2
155.10622	4.1
159.00768	2.9
160.01598	3.3
161.02374	11.3
162.02652	5.3
163.00195	2.7
171.00722	4.0
173.02312	4.8
174.03096	5.9
175.00237	5.1
175.03923	13.5
176.01105	10.5
176.04236	9.6
178.99756	3.6
183.10150	2.6
185.99506	3.0
187.00227	12.1
187.03883	3.1
188.01045	4.1
189.01854	4.5
190.02267	2.0
190.99825	2.7
197.99419	2.5
199.00243	1.6
199.13326	3.4
201.01823	2.7
201.98911	3.8
202.05017	37.7
202.99765	9.6
203.03502	2.7
203.05360	28.5
204.00557	6.1
204.99580	100.0
205.99986	63.3
206.21504	1.7
206.98975	7.8
209.28377	2.1
210.08633	1.8
213.98943	3.2
214.02652	1.8
214.99776	18.2
216.00558	15.5
217.01387	3.6
227.12791	2.0
229.01341	4.2
229.98592	2.0
230.99300	27.5
231.02876	3.9
232.00056	12.7
234.60370	1.7
241.98625	2.8
242.02115	2.0
242.99294	12.6
243.02808	2.1
244.00044	9.1
245.00899	4.7
246.01663	2.4
246.98695	2.7
247.02452	3.7
257.00876	5.8
258.01657	3.9
258.98773	20.9
259.02289	5.5
259.99588	24.5
261.00302	4.4
269.98016	16.9
270.98828	18.5
271.01794	2.4
271.99512	4.0
272.08899	2.2
273.00439	3.0
274.01123	6.6
274.98495	2.7
275.01947	14.6
275.99081	7.8
283.99591	2.3
285.00345	13.2
285.97540	21.7
286.98355	34.8
287.01431	3.0
287.98871	6.5
290.00577	8.0
291.01392	25.5
297.97525	7.6
298.98267	6.6
299.01477	2.7
299.99164	17.0
300.99780	16.7
301.03476	5.2
302.00543	12.1
302.04001	4.6
303.01343	23.8
303.04324	4.9
304.01767	2.0
312.99838	16.3
314.00604	8.8
314.97766	5.6
315.01385	12.3
315.98303	2.4
316.01978	3.6
316.06308	5.3
316.99188	1.9
317.19681	3.4
318.00186	13.1
319.00952	38.7
320.01373	2.8
327.01352	4.6
328.99371	8.2
329.99988	5.0
345.99585	6.5
347.00327	18.1
350.04843	2.2
391.06577	1.8
403.02930	2.9
419.02487	6.2
421.04739	2.4
423.05521	3.7
431.02322	2.2
435.05801	12.5
435.10840	2.5
446.05014	22.9
447.01538	2.9
448.02451	2.6
451.05161	38.0
452.05585	3.5
461.03281	2.1
462.04401	16.4
463.04584	2.9
478.19998	2.6
479.04401	48.8
479.09589	4.5
479.20999	13.4
480.04596	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	479.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91462	2.6
52.20775	2.3
59.01247	35.9
60.07050	3.1
61.98689	10.9
65.00192	6.2
69.57585	17.9
71.01247	15.9
74.02345	5.3
74.98968	9.5
75.00741	4.5
80.26046	2.9
85.02812	8.0
85.13566	2.3
85.17371	2.4
89.02308	13.9
93.03362	2.9
95.01274	4.6
98.20684	2.6
99.00745	5.5
101.02338	16.2
107.01246	3.3
108.02039	3.6
109.02822	5.6
113.02330	8.0
117.03339	4.1
119.03373	4.2
120.99474	3.0
121.02843	6.2
123.00769	4.2
123.04395	8.7
125.02331	7.4
128.03398	4.9
131.01292	3.2
132.02037	4.3
133.02802	4.1
135.02855	4.4
135.04366	4.0
136.01553	5.0
136.07562	9.3
136.99001	7.9
137.02330	5.6
137.05960	5.2
139.00256	4.8
145.02792	5.2
147.00760	5.8
147.04379	3.9
148.01520	5.8
150.05457	6.1
151.00252	9.5
153.01816	3.2
153.05466	4.3
155.10736	4.3
159.00737	11.2
160.01605	4.1
161.02411	20.1
161.99554	3.4
162.02655	10.0
163.00279	2.6
163.03905	3.8
167.03401	4.0
169.01328	5.4
173.02412	4.3
173.99530	2.9
174.03110	9.3
175.00253	5.8
175.03786	7.8
176.01053	9.5
177.01759	5.5
178.99828	8.0
185.11787	3.0
185.99541	4.7
187.00273	22.2
188.01042	10.3
189.01839	4.9
190.02585	7.9
191.05540	12.2
197.99454	4.4
201.01906	6.0
201.99039	3.1
202.02618	4.5
202.04967	6.8
202.99753	15.2
203.03490	3.1
203.05391	5.9
204.00557	5.8
204.99588	58.5
205.04944	3.6
205.99896	37.1
206.99199	4.7
213.99022	11.7
214.99783	35.9
215.03381	4.0
216.00508	11.2
217.01160	3.9
219.02933	5.2
221.00909	5.0
227.12862	6.8
229.01402	6.3
229.98500	7.1
230.02049	4.2
230.99301	41.8
231.02931	3.7
231.99971	17.9
242.99274	19.8
244.00011	10.5
245.00806	5.3
247.02458	20.7
255.11305	16.4
257.00873	6.1
257.12857	6.4
258.98785	41.3
259.01978	5.1
259.02435	6.8
259.99557	31.6
261.00009	5.1
269.98105	19.2
270.98734	21.9
271.02231	5.0
271.99490	5.5
273.00363	5.4
274.01123	11.7
275.01917	28.6
285.00281	12.5
285.97577	21.1
286.00409	4.8
286.98331	53.8
287.01514	3.9
287.14975	13.2
287.99017	7.9
290.00653	3.4
291.01492	6.4
298.98254	7.6
299.05685	4.8
299.14093	5.4
299.99088	20.4
300.99771	24.0
301.03320	7.3
302.00616	11.8
302.03827	4.5
303.01108	23.5
303.03799	5.3
312.99927	15.6
313.96811	4.1
314.00314	6.2
314.97977	5.7
315.01367	18.9
316.02112	6.4
317.02866	5.3
318.00171	40.9
319.00873	100.0
320.01251	10.1
328.99469	4.3
329.99896	4.9
330.97415	3.7
341.08755	4.0
343.00894	3.3
345.99750	3.5
347.00473	17.6
356.98877	4.8
392.03885	7.1
407.06088	9.7
419.02399	11.0
430.30768	2.7
433.04404	3.7
435.05670	13.9
443.15448	9.4
446.04904	22.1
447.01563	4.0
448.02768	3.1
451.05109	44.3
452.05704	3.6
461.19263	5.2
462.04312	12.3
479.04224	60.4
479.15585	8.4
479.21088	12.1
480.05093	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	478.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42397	0.4
53.37008	0.4
53.94557	0.3
57.03324	0.7
57.13560	0.4
59.01247	4.6
60.13920	0.4
61.98703	100.0
62.98415	0.4
71.01261	1.7
71.51791	0.6
72.99181	0.6
83.01260	0.5
83.04945	0.5
83.95625	0.4
85.02808	1.0
86.61951	0.4
89.02292	0.5
93.03342	0.5
96.95943	0.6
101.02307	1.0
107.01283	0.7
109.02863	0.9
113.02332	0.9
121.02863	0.6
125.02409	0.7
133.02875	0.5
135.04503	0.8
137.02386	0.6
145.02875	1.5
147.04413	0.5
151.00294	2.0
152.00673	0.6
161.02354	0.7
165.01863	0.8
169.01329	1.0
173.04478	0.5
175.03993	0.9
178.99843	1.0
180.00117	0.5
189.01906	0.6
192.60612	0.4
201.01849	0.6
201.91885	0.4
204.99635	0.8
211.02338	0.5
271.02390	0.9
271.05017	0.6
272.02795	1.0
283.02716	0.5
298.98520	0.8
299.01886	1.0
299.99271	0.5
300.02258	2.0
300.99829	1.1
301.03558	2.0
302.03842	4.9
314.04434	0.5
315.04791	1.8
316.05453	1.0
329.91763	0.4
398.09903	0.7
418.24332	0.7
421.38263	0.4
451.05273	0.7
478.11176	1.8
478.28818	0.8
479.06561	0.5
479.15427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
61.98690	0.5
65.17162	0.4
69.78306	1.0
69.78721	1.1
78.95776	0.4
91.10530	0.5
93.03345	0.6
98.20551	0.5
110.98402	0.4
117.17403	0.5
137.02338	1.4
161.02309	0.9
162.08504	0.4
211.16690	0.4
212.71477	0.4
247.04076	0.6
249.05597	0.6
267.08127	0.5
293.21094	0.9
295.07645	0.7
300.04279	0.9
306.06787	1.0
307.07587	1.1
309.05472	0.5
321.05496	0.6
322.06375	1.7
323.07077	1.7
327.06628	0.8
328.03607	0.7
331.02499	1.7
334.06219	0.5
335.07251	0.8
337.05130	0.7
338.05847	0.5
339.06622	1.2
341.08395	1.0
349.04865	1.0
350.05862	1.0
351.06628	3.8
352.06989	0.6
353.04446	0.7
355.09793	0.4
361.05017	1.5
366.05252	1.4
367.06049	3.9
368.06546	0.5
370.08505	0.8
377.04425	1.5
378.05228	2.3
379.06134	5.3
389.05096	0.5
390.05292	0.8
394.04568	0.5
395.05518	3.0
399.12396	3.2
405.04245	0.6
406.04761	1.3
407.05698	2.0
418.04996	0.8
423.05103	1.4
433.03766	1.0
434.03955	0.7
435.05252	2.8
443.11166	1.1
450.03815	0.7
451.04578	0.8
479.04050	100.0
480.04343	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	478.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82315	0.3
56.97910	0.5
59.01243	3.6
61.98711	1.7
65.00175	0.4
65.49214	0.3
68.00874	0.3
69.49068	2.3
71.01247	2.4
72.99200	0.4
73.02814	0.6
74.02335	2.1
75.00731	0.5
83.01242	0.5
84.28322	0.3
85.02817	0.8
85.60558	0.3
86.02336	0.7
87.00724	0.4
89.02322	1.4
91.02688	0.3
93.03286	0.5
95.01223	0.4
97.03922	0.5
98.20602	0.3
99.05534	0.8
100.00266	0.4
101.02315	1.4
102.05457	0.5
103.66822	0.3
107.01254	0.6
109.02841	0.4
111.75234	0.3
113.02330	0.8
113.03452	0.3
117.03326	2.0
120.99552	0.6
121.02850	0.7
123.04385	0.4
125.02290	0.7
128.03419	6.4
131.01277	0.5
131.04892	1.6
135.06506	0.4
143.04509	2.2
145.02809	0.6
146.04482	1.8
147.04376	0.4
151.00275	1.9
151.03751	0.4
152.00665	0.9
153.06606	0.8
153.09113	1.1
154.09482	0.5
160.00618	0.4
161.02347	10.0
161.04395	0.6
162.02713	0.3
163.00244	0.6
163.03893	0.8
164.00699	0.3
169.01268	0.4
170.11139	0.3
171.00909	0.4
171.07654	0.9
173.02374	2.4
174.03154	4.8
175.03911	16.1
176.01109	0.5
176.04251	0.9
177.00087	2.0
177.01459	0.4
178.99809	0.8
179.04581	0.5
183.10136	0.5
184.03833	0.4
185.05678	0.3
185.11623	0.3
185.99570	0.3
187.00241	1.0
187.03865	1.7
188.03355	1.6
189.01848	3.5
190.02440	0.4
200.03400	0.3
201.01793	0.6
201.04192	0.7
202.05022	49.1
202.99754	0.9
203.05331	2.9
204.00632	0.7
204.99573	100.0
205.99979	6.2
207.01192	2.9
210.08760	0.5
212.03394	0.3
212.05865	0.4
213.43121	0.3
214.04985	2.5
214.99825	1.9
216.00560	1.4
218.00340	1.0
218.19424	0.3
219.01114	1.1
225.11255	0.4
226.08232	0.9
226.11638	0.4
227.08263	1.4
228.02960	1.7
228.06615	0.7
229.01212	0.4
230.99397	2.6
231.04695	0.4
232.00046	0.8
242.04492	0.4
242.99205	0.8
243.99979	0.7
249.05490	2.6
252.06313	0.5
254.04597	0.4
254.07748	1.2
256.03296	0.5
256.06012	0.6
257.00919	0.5
257.05829	0.5
258.01697	0.4
258.98785	1.7
259.02274	0.4
259.99628	1.9
262.01697	0.8
269.98059	1.9
270.98788	2.2
271.07254	3.7
272.08954	3.5
273.00250	0.4
274.01401	0.5
274.98425	0.4
275.01944	1.2
275.99063	0.4
285.00443	1.1
285.97470	1.7
286.98349	3.5
287.01440	0.5
287.99118	0.5
290.00546	0.8
291.01517	2.5
297.97559	0.7
298.12299	0.4
298.98373	0.7
299.99066	1.9
300.99805	2.3
301.03500	2.1
301.97052	0.3
302.00607	1.3
302.03867	6.1
303.01288	2.0
312.99890	2.3
314.00629	1.0
315.01584	1.3
315.06204	4.8
316.02209	0.4
316.06436	0.5
318.00116	1.3
319.00916	2.9
328.99454	1.0
345.99881	0.6
347.00293	1.5
349.04953	1.6
419.02658	0.8
423.06161	0.4
435.05682	0.9
446.04898	2.4
447.02237	0.9
451.05173	5.2
462.04337	1.4
478.07745	1.2
478.20175	3.2
478.25653	0.6
479.04480	6.3
479.21249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68739	0.4
58.02847	0.8
59.01241	4.5
61.98690	0.7
65.00203	0.5
66.95936	0.4
69.41872	3.1
69.42287	0.8
71.01247	1.7
74.02343	1.4
82.02838	0.5
86.02342	0.8
87.00737	0.6
89.02303	1.0
98.19852	1.0
99.05511	1.2
101.02317	0.9
102.05475	0.8
107.01289	0.6
113.02333	0.8
117.03336	0.7
121.02837	0.7
123.04484	0.6
125.02322	1.1
128.03418	7.8
131.04956	0.7
141.06622	0.4
143.04532	4.4
145.02858	1.2
146.04469	1.8
151.00261	2.9
152.00621	1.3
157.79733	0.5
160.00592	0.7
161.02342	17.8
162.02745	1.2
163.03899	0.5
165.74463	0.5
169.01311	1.3
173.02362	2.6
174.03169	4.1
175.03902	6.5
177.00105	1.3
177.01860	1.7
178.99794	1.1
179.04546	1.5
181.08575	0.7
187.03857	0.6
188.03470	0.6
189.01814	2.6
202.05035	20.6
203.05331	1.6
204.99576	100.0
205.99951	7.1
207.01143	6.7
210.08734	1.2
211.34218	0.5
219.01186	0.8
227.08330	0.8
227.12775	1.0
249.05560	1.4
254.04700	1.1
254.07799	2.1
271.07220	0.9
272.08878	5.9
287.14981	2.5
299.99155	0.7
301.00305	0.5
301.03519	2.7
302.03790	8.3
315.06235	1.4
316.01736	0.5
317.02823	0.7
319.01053	1.0
356.98743	0.7
389.17978	0.6
443.43030	0.5
450.63034	0.5
478.10251	2.1
478.20309	1.6
479.09186	0.8
479.21671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68501	0.5
57.03312	0.7
58.00467	0.6
59.01248	100.0
60.01583	0.9
61.98706	0.8
61.99803	0.4
66.86169	0.4
67.01781	0.4
68.33960	0.4
69.03329	0.6
69.38563	0.9
69.38984	2.1
71.01250	14.3
72.99189	1.7
73.02820	3.1
75.00746	3.6
79.01767	0.4
79.95600	0.6
83.01259	2.0
85.02819	5.1
87.00771	1.1
88.98714	0.5
89.02312	5.5
91.00247	1.4
93.03362	0.9
95.01295	1.9
95.04900	0.6
96.41238	0.5
96.95899	2.0
97.02847	1.0
98.31432	0.4
99.00774	1.9
101.02325	8.4
106.98844	0.4
107.01286	3.4
109.02856	1.1
111.00774	1.2
113.02327	6.6
113.03073	0.5
115.00288	1.4
119.03432	2.1
119.04915	24.2
120.05287	1.3
121.02858	1.1
123.00775	4.2
124.01553	0.4
125.02335	19.0
131.03441	0.4
133.02881	0.6
135.02917	1.0
135.04451	1.4
137.02347	1.1
139.00316	1.6
140.01099	1.0
141.01848	0.7
143.03419	0.8
151.00285	4.0
153.01955	0.7
153.05563	0.5
159.02948	1.0
161.02396	0.9
161.04466	10.4
161.05847	0.6
163.03917	11.2
164.04350	0.7
165.01855	0.9
166.99905	0.5
168.00571	1.0
169.01341	27.6
170.01752	1.2
173.02466	0.5
174.03107	0.6
177.01781	0.4
178.99814	0.5
179.03535	0.7
179.05611	1.2
181.08710	0.5
181.44777	0.4
182.01938	0.4
183.02936	0.7
183.10312	0.7
185.02457	0.5
191.03462	0.6
197.04553	1.2
200.01160	0.5
201.48300	0.4
202.02682	0.7
203.03409	0.5
205.03444	0.7
211.02333	0.6
213.02037	0.6
219.10304	0.5
229.12337	0.5
239.05629	0.8
242.99380	1.6
245.01007	0.4
258.01740	0.9
269.00955	0.5
270.98837	13.6
271.09830	0.5
271.99341	1.4
282.99081	0.5
283.99753	1.4
285.00375	7.5
285.03476	0.5
286.01041	3.1
287.02161	0.5
297.00513	1.1
297.07565	0.5
298.01215	0.4
298.98312	20.7
299.99075	16.4
300.99762	2.5
301.03690	2.4
312.99921	18.0
313.05563	13.2
314.00616	14.4
314.06354	1.3
315.01501	6.4
315.05017	0.5
316.01965	0.9
334.46204	0.4
383.51340	0.4
387.55557	0.5
417.25034	15.0
418.25287	1.9
433.11600	0.6
461.24231	1.4
462.04721	0.7
477.06836	30.5
477.11270	17.8
477.27234	1.1
478.07297	4.6
478.11823	1.9
500.13510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01244	1.3
56.00597	0.6
57.03322	3.4
57.19745	0.5
58.00446	0.7
58.61759	0.6
58.78010	0.5
59.01249	41.5
60.01591	0.8
60.55497	0.5
61.98704	3.7
63.02243	1.5
63.96137	0.6
65.00193	4.5
69.03325	1.1
69.91756	2.9
71.01253	28.0
71.04889	1.3
72.99165	2.6
73.02818	4.3
75.00718	1.4
80.04870	0.5
81.03341	0.8
83.01261	4.9
83.04852	0.6
84.99831	0.7
85.02817	8.9
85.06461	13.5
87.00758	4.2
87.04391	26.8
89.02315	16.8
93.03326	2.4
93.06957	1.2
95.01275	3.1
95.04898	1.4
97.02848	2.7
98.20512	0.7
99.00742	2.4
101.02318	18.9
103.00195	1.1
103.03895	0.9
104.73272	0.6
107.01276	5.4
108.01379	1.0
108.02055	11.7
109.02843	9.4
109.06448	1.7
111.00744	1.0
111.04424	0.6
111.08018	1.2
113.02326	10.5
113.05990	3.0
115.00285	3.9
115.07510	2.3
117.03325	1.3
119.03387	7.3
119.04895	1.4
120.99541	1.3
121.02841	11.2
121.06480	0.7
123.00782	1.0
123.04398	1.7
123.08033	1.6
124.01528	2.2
125.02337	8.5
127.07526	1.9
131.07036	63.9
132.07339	1.4
133.02831	1.8
134.03621	1.0
135.00763	1.0
135.04417	3.7
135.98228	0.9
137.02306	1.4
137.05991	4.5
139.00240	0.7
139.03911	2.0
139.07544	3.9
139.11195	3.4
141.09093	0.7
143.03404	1.5
145.02850	3.2
149.02357	2.4
149.04454	0.8
149.99481	2.2
151.00276	22.1
151.03886	1.2
152.01067	7.8
153.01805	2.5
155.10631	1.2
157.12193	0.6
159.02998	0.7
159.04401	1.4
161.02383	4.2
161.04445	2.5
161.05884	1.0
163.00276	4.8
163.03885	1.7
165.01849	10.8
167.03409	1.6
168.00574	5.2
169.01358	5.9
173.08057	2.5
174.03107	0.7
175.02428	7.3
175.03860	1.0
176.01016	0.9
177.01781	1.6
178.99770	11.0
179.03354	0.7
179.05521	1.3
182.04951	0.6
183.10190	2.9
185.11771	1.4
187.03827	0.9
190.02666	1.1
191.03415	1.5
191.05589	0.9
193.01378	2.0
199.09726	1.1
201.05522	1.3
201.11263	12.7
202.04973	1.3
204.99542	6.2
205.04977	1.8
211.03983	2.9
213.01859	0.9
214.02798	0.7
215.03471	1.2
215.12825	1.4
225.11266	10.7
226.11612	1.0
227.03412	2.2
227.12831	0.9
229.01375	0.6
229.04962	1.2
231.06821	0.7
242.87749	0.6
243.03011	2.8
243.12329	2.9
245.04529	2.8
255.02922	3.1
255.12299	0.8
256.03751	0.8
270.01563	0.8
271.02472	6.4
272.02969	1.1
273.04004	2.1
275.11331	3.5
283.02594	1.4
285.04190	1.1
289.07260	4.5
293.12421	86.8
294.12701	6.2
297.17001	0.8
298.98621	1.1
299.01923	8.3
299.99088	1.9
300.02719	4.5
301.03516	72.2
302.03842	7.2
314.04291	3.7
315.01532	1.8
315.05023	22.0
315.13458	0.8
315.18134	2.8
316.05447	2.4
331.06659	2.3
331.17596	1.8
347.16763	0.6
357.19522	0.6
417.25211	1.1
459.07224	0.7
477.10043	8.5
477.23444	100.0
478.16071	1.0
478.23813	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.3
57.03322	5.5
58.00461	2.0
59.01249	62.6
60.01575	0.8
61.98698	5.6
63.02282	0.9
63.89259	0.4
65.00185	2.4
68.11590	0.4
68.99680	0.7
69.03320	2.0
71.01250	100.0
71.51291	0.5
71.51679	0.7
71.88799	0.4
72.01586	1.4
72.99168	4.8
73.02818	30.4
74.03126	0.4
75.00752	2.4
81.03326	0.7
83.01256	14.3
84.02073	1.1
85.02820	43.0
86.03175	0.9
87.00744	4.5
89.02316	24.6
93.03333	1.9
95.01259	7.1
97.02827	3.9
99.00101	0.6
99.00755	13.0
101.02321	77.7
101.31787	0.4
102.02659	1.5
107.01283	3.1
107.04913	0.8
109.02839	2.9
111.00762	1.7
113.02328	44.0
114.02663	1.5
115.03932	0.7
117.19636	0.5
118.98013	0.6
119.03381	8.9
120.99562	0.9
121.02843	4.7
124.01533	0.6
125.02334	6.0
129.01820	1.8
131.03398	1.9
131.07027	1.6
134.03696	0.5
135.04414	5.5
137.02339	1.8
139.00261	0.7
139.03920	0.6
140.00932	0.4
143.03400	6.3
145.02818	1.0
148.97720	0.4
149.02332	1.0
149.04448	0.9
151.00278	10.5
153.01839	0.9
159.02892	8.6
159.04243	0.6
161.02301	1.7
161.04459	48.5
162.04803	1.4
163.00288	1.3
163.03911	0.5
165.01826	5.1
166.02512	0.7
166.99760	0.5
169.01344	1.0
174.03142	1.2
175.02495	0.7
175.03900	6.0
176.04243	3.2
177.01883	0.9
178.99773	5.1
179.03401	0.8
179.05537	5.9
180.00204	0.5
181.04889	0.7
183.02943	0.4
183.04436	0.6
183.10185	1.3
184.00034	0.5
187.03847	0.8
188.21904	0.4
191.05519	0.7
193.01277	1.0
202.84836	0.4
204.99516	2.1
205.03467	1.8
211.03918	1.2
211.05911	0.6
221.06645	1.3
227.03424	1.7
243.02882	0.6
245.04462	0.9
245.06752	0.7
251.11334	0.9
255.03008	1.5
256.03671	0.6
263.07715	1.0
266.02338	0.5
270.99817	0.5
271.02625	1.8
273.04150	0.8
279.16098	0.7
281.04321	0.7
283.02554	0.9
284.02588	0.5
285.13538	0.6
287.01767	0.6
289.07071	0.6
299.02014	1.3
299.99365	1.0
300.02780	1.8
301.03522	29.9
302.03723	2.8
314.04315	0.8
315.01587	0.7
315.05142	10.6
315.08527	0.6
315.18100	35.8
316.05463	1.2
316.18439	3.2
329.03110	0.4
331.04401	0.6
345.19147	1.4
359.11288	0.5
359.17084	0.6
397.09210	1.1
417.25037	4.1
418.25381	0.6
449.62537	0.5
459.22998	0.5
477.06894	3.3
477.23392	64.4
478.23840	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53824	1.1
59.01249	89.6
61.98690	1.2
62.44012	1.0
69.57383	6.9
71.01255	16.2
72.99190	3.1
73.02814	4.5
75.00745	23.7
83.01273	2.5
85.02795	5.5
87.00753	2.2
89.02319	3.4
91.23898	1.1
96.95896	1.6
97.02797	1.1
99.00754	1.5
101.02318	8.1
109.02840	2.8
113.02332	4.2
115.03898	1.6
117.17756	1.3
119.03366	2.4
119.04868	2.0
121.02835	12.0
125.02335	4.9
133.04933	3.8
135.02859	4.8
135.04407	5.2
149.05949	1.4
157.04935	1.2
159.02835	1.9
161.04454	16.9
163.03998	1.6
166.06262	74.2
167.06581	4.2
169.01331	4.4
170.97218	1.2
175.03865	1.3
179.03372	1.8
181.08617	100.0
182.08949	4.7
197.04512	1.8
235.08145	11.5
271.09811	1.7
280.08511	1.4
300.99869	2.5
301.03470	2.0
355.59253	1.3
417.17535	8.6
477.10349	2.5
477.16238	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	477.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
59.01251	7.5
67.62608	0.6
69.03347	0.8
69.36803	3.5
71.01254	5.1
72.97408	0.6
72.99184	3.8
73.02839	0.9
74.98985	1.9
75.00746	29.2
78.47402	0.6
79.95570	0.5
81.03323	0.8
85.02845	2.3
87.00735	3.8
89.02317	6.2
93.03358	1.8
95.01288	1.3
95.75883	0.5
96.95869	0.8
97.02807	0.7
98.19812	0.7
99.00773	1.7
101.02337	1.6
101.13056	0.6
105.01868	0.8
107.01336	0.6
107.04980	1.0
108.02058	8.8
109.02839	13.6
111.00797	1.6
113.02358	1.0
115.00284	1.7
117.01855	2.0
118.97982	6.0
119.04913	1.3
120.99569	1.0
121.02873	2.0
123.00768	7.5
123.04410	2.7
125.02337	4.0
126.02644	0.5
133.01324	3.0
133.02885	1.1
135.02927	100.0
135.04459	24.5
136.03261	2.4
136.04826	1.4
136.99063	1.7
137.02440	0.7
138.02156	1.1
138.03116	8.7
138.04092	0.6
139.03969	0.8
147.04395	1.0
149.02386	0.5
149.05978	7.2
151.00319	0.8
151.03972	1.4
152.01053	13.1
152.02164	0.8
153.01863	6.9
153.05501	3.9
155.03421	1.1
159.04514	1.0
161.02406	2.0
161.05991	3.6
163.00328	0.6
163.03954	1.3
165.01936	0.9
165.04065	0.7
166.99776	4.4
167.03394	3.9
169.01344	3.6
173.04524	1.0
177.01915	1.1
178.99866	1.2
179.03419	11.2
180.03870	0.9
181.01576	1.0
182.02132	11.9
183.02536	0.7
189.01755	0.6
190.99849	1.0
191.03621	0.6
191.05618	2.1
195.02921	0.8
197.04486	26.0
198.04900	1.6
200.78796	0.6
201.01950	0.9
205.01450	0.7
213.01845	0.6
227.03572	0.6
229.01337	1.3
241.05225	0.6
242.05959	2.3
243.06537	4.4
255.06728	1.3
271.06760	1.0
271.09766	5.2
275.02051	1.9
297.06516	1.0
300.99878	3.4
309.04156	1.1
315.08798	2.3
341.11145	0.8
343.06860	1.4
359.10455	5.1
382.52753	0.6
390.52875	0.8
391.03152	0.9
392.03125	0.7
407.26028	0.6
477.12570	25.9
478.11377	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98832	0.6
59.01254	12.5
60.08215	0.5
60.99185	0.8
61.98708	3.1
63.59627	0.5
63.61311	0.5
65.00200	1.4
69.32356	0.6
69.32699	5.1
71.01257	9.1
72.99179	2.4
73.02824	1.4
74.27006	0.6
75.00745	2.4
79.01742	0.7
79.95618	2.3
83.01240	0.8
85.02824	2.4
87.00748	2.1
88.00275	1.9
88.98678	6.2
89.00643	0.5
89.02319	19.6
90.01852	1.4
92.53534	0.6
93.03351	1.1
95.01265	1.1
96.95895	9.0
97.02853	1.0
99.00751	1.1
101.02308	4.6
107.01276	4.1
109.02854	2.5
111.00769	1.8
111.04483	0.6
113.02339	2.6
115.00243	3.1
119.04917	29.3
120.05247	1.3
120.99538	0.7
121.02863	1.3
123.00758	5.3
123.04402	0.6
124.01582	0.8
125.02339	23.6
126.02665	0.8
131.03366	1.1
133.01324	3.0
133.02899	0.9
133.03867	0.6
135.02882	2.2
135.04422	2.1
136.98955	0.7
137.02333	1.2
139.00275	1.5
139.03888	0.7
139.11177	0.7
140.01106	1.4
145.02856	1.1
148.01634	0.6
149.04445	1.1
151.00291	6.8
152.01033	0.8
153.01848	1.3
153.09172	0.9
158.03670	1.4
159.04431	2.4
161.02370	0.8
161.04482	1.1
163.00281	1.3
163.03918	14.5
164.04279	0.6
165.01875	2.5
168.00610	1.5
169.01341	34.6
170.01730	1.3
171.04483	0.7
175.03876	1.1
177.01955	0.7
178.99860	1.1
179.03381	0.9
183.04413	0.7
183.10167	0.6
187.03847	0.6
191.03380	1.3
191.05495	0.7
193.01334	1.8
198.03313	0.7
199.03928	2.8
201.05444	0.9
203.03477	1.3
211.02438	1.1
213.09125	3.7
215.03358	1.7
217.01274	1.0
219.10066	0.7
226.02679	0.9
227.03424	3.5
229.01447	0.7
229.04958	0.7
229.12396	1.5
237.06117	0.8
240.04385	0.9
242.02136	2.7
243.02922	5.6
244.03259	1.0
253.03397	0.8
254.02370	1.1
255.03055	1.5
256.03421	0.7
257.04541	6.0
258.04861	0.8
268.03671	0.8
270.01749	1.1
270.99423	1.4
271.02466	34.3
272.02927	4.1
273.11295	3.4
285.00873	1.2
285.03964	8.1
286.04694	5.9
287.02014	3.7
287.05206	0.9
298.98398	2.0
299.01895	13.8
299.99194	1.1
300.02670	2.1
301.00055	1.2
301.03439	6.6
313.00003	1.1
313.05664	14.2
314.00690	1.7
314.04248	38.4
315.01529	2.6
315.04990	21.1
316.05515	2.1
317.10370	2.5
321.09824	0.7
331.17444	0.7
345.12320	0.7
361.09308	1.2
389.12677	2.4
417.21231	0.9
433.11401	4.4
459.09274	1.7
477.10452	100.0
478.10925	15.8
478.18091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00960	0.7
59.01247	10.8
61.98703	2.9
65.00191	0.6
71.01253	7.9
71.07775	0.7
71.08127	1.2
72.99168	1.5
73.02818	1.2
75.00753	3.0
77.39779	0.5
79.95635	1.4
83.01257	1.4
85.02815	2.1
85.36044	0.6
87.00753	1.9
88.00291	1.2
88.98662	4.2
89.02312	12.0
93.03330	0.7
95.01253	1.6
96.95882	10.8
97.02816	0.5
99.00745	1.6
100.84952	0.5
101.02309	4.4
103.46974	0.5
107.01257	4.4
109.02796	3.2
111.00803	0.6
113.02319	3.2
115.00259	2.4
118.59257	0.6
119.03407	1.9
119.04911	31.1
120.05257	1.4
121.02846	1.3
123.00755	6.1
123.04440	0.9
125.02332	21.9
131.03412	0.9
133.01292	3.0
133.02881	0.6
135.02895	1.9
135.04425	1.7
136.13730	0.6
137.02364	0.9
139.00259	2.2
139.03889	0.8
139.07545	1.1
141.01903	0.8
149.02353	0.6
151.00278	6.7
153.96523	0.6
161.02388	0.7
161.04478	1.8
163.00276	0.6
163.03899	13.7
165.01839	2.3
166.99750	0.8
167.07025	0.8
168.00510	2.0
169.01329	34.9
170.01714	1.1
178.99739	1.5
179.03462	0.6
179.05527	0.6
181.08656	0.8
183.10213	1.5
187.03787	0.6
193.01335	1.3
199.03902	1.1
201.05490	0.5
211.02415	1.3
213.09126	4.3
215.03517	1.0
219.10091	0.7
227.03450	2.1
229.12389	1.3
237.06125	0.7
241.03462	0.7
242.02077	1.3
243.03041	2.7
254.02037	0.6
257.04599	4.5
270.01511	0.7
270.99329	0.8
271.02435	19.5
272.02982	1.8
273.11411	2.7
285.01187	0.9
285.03970	4.7
286.04712	3.4
287.01941	2.3
298.98660	1.3
299.01904	7.9
300.02582	1.6
301.03439	8.6
302.03979	1.3
313.00018	1.1
313.05664	15.8
314.00769	1.3
314.04227	21.5
315.01480	1.5
315.04965	12.5
316.05502	0.7
317.10342	3.7
331.17459	2.1
361.09314	1.7
389.12820	1.7
433.11502	5.8
434.11859	0.7
459.09256	1.6
477.10379	100.0
478.10989	16.9
486.82443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
59.01241	2.9
65.00172	0.8
65.85600	0.5
67.01740	1.0
68.72266	0.4
69.03342	0.8
69.41002	2.6
69.41429	1.8
71.01259	5.7
73.02794	0.8
75.00722	1.3
77.12269	0.5
79.01744	0.8
79.95588	1.0
81.03323	0.6
83.01262	0.8
85.02804	2.0
87.00758	0.9
89.02299	1.6
93.03327	0.9
95.01276	2.5
96.95881	2.4
97.02824	1.2
99.00738	0.6
101.02327	1.5
107.01260	9.0
109.02835	1.1
111.00745	2.2
113.02337	2.3
115.00245	0.7
119.04914	76.2
120.05222	2.9
123.00774	10.4
124.01518	1.2
125.02332	50.5
126.02650	1.2
127.00298	0.8
131.03368	0.6
133.02823	0.8
135.02849	0.8
135.04466	0.6
136.98714	0.9
137.02414	0.8
139.00240	3.5
140.01053	2.3
141.01849	1.9
147.04433	0.6
149.02347	1.1
151.00281	7.3
154.99838	0.6
161.02457	0.8
162.94138	0.6
163.03923	32.8
164.04323	1.3
165.01849	0.8
166.99776	0.7
167.03450	0.7
168.00575	2.8
169.01332	69.3
170.01695	1.9
175.03938	0.7
177.01942	1.1
181.01364	1.0
190.60870	0.6
193.01408	0.8
211.02499	1.6
223.02486	0.7
241.03577	1.2
242.99380	0.8
253.03680	1.1
258.01871	1.1
270.98792	13.5
271.01682	0.7
271.99255	0.8
283.99808	1.7
285.00333	3.2
286.01343	2.1
287.02139	0.7
298.98328	14.7
299.98932	2.7
303.01370	0.6
313.00302	5.7
313.05627	43.8
314.00656	15.3
314.05881	2.8
315.01477	1.7
387.12134	0.8
414.84189	0.7
433.11371	2.5
477.10925	100.0
478.11197	13.7
478.17221	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30915	0.9
57.03319	1.1
59.01244	24.4
61.98712	5.1
61.98978	0.8
63.02278	1.8
64.94766	0.9
65.00183	4.5
68.57166	0.8
69.03318	1.2
69.41127	7.2
71.01248	10.6
72.99168	1.7
73.02796	2.3
74.98980	2.6
75.00737	1.8
81.03329	1.3
82.25784	0.9
83.01270	3.7
85.02824	4.3
87.00755	3.1
87.04406	1.1
89.02312	5.1
93.03311	2.1
95.01266	2.4
96.95951	1.3
97.02843	2.1
99.00802	1.3
101.02348	4.1
107.01263	8.8
108.02058	2.0
109.02832	8.0
111.00753	1.0
113.02309	4.8
117.03371	3.0
119.03407	2.1
119.04957	2.3
121.02855	7.9
123.00809	3.2
124.01539	7.0
125.02336	30.6
125.03265	1.7
131.07034	1.3
133.02864	2.0
134.03644	1.0
135.04459	1.8
137.02342	2.8
139.00366	1.1
139.03941	2.4
145.02844	9.4
146.06662	0.9
147.00836	1.3
149.02287	1.2
149.99507	11.1
151.00276	33.0
152.00777	1.5
153.01886	2.5
159.04427	1.0
161.02348	3.2
161.04494	1.8
163.00256	6.8
163.03912	3.5
164.01118	2.0
165.01852	1.6
168.00551	20.5
169.01324	32.4
170.01709	1.1
171.04367	1.1
173.06120	1.0
174.03178	1.3
175.02440	2.3
175.03973	4.8
178.99779	15.0
179.05563	1.1
181.04938	1.0
183.04523	1.5
187.04004	2.5
189.01889	1.8
193.01357	1.2
199.03969	4.3
201.01826	1.8
201.11400	1.3
202.02547	1.1
202.04990	0.9
203.03470	2.7
204.99603	4.3
211.03987	2.3
214.02788	1.2
215.03474	4.6
227.03438	4.5
228.04085	1.3
229.01344	1.5
229.04987	2.3
230.01923	1.1
231.02902	1.5
242.02151	8.3
243.02943	38.1
244.03418	3.3
245.04510	2.7
255.03004	5.1
256.03534	2.2
257.04599	9.8
270.01663	9.6
271.02454	39.4
272.03055	4.0
273.03821	2.8
283.02530	3.7
285.04004	22.0
285.07172	1.4
286.04749	5.7
287.01886	2.1
293.12509	2.8
297.12073	1.7
298.98572	1.3
299.01886	12.8
299.99219	3.1
300.02863	10.8
301.03500	82.7
302.03763	8.1
303.01532	1.7
307.08420	1.3
313.05872	1.2
314.04288	41.7
315.01447	3.8
315.05054	13.4
315.18243	2.4
316.02197	1.5
331.00970	2.0
331.07022	6.0
417.25131	4.0
477.10583	100.0
478.11288	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01245	3.6
60.43265	0.3
61.98705	3.6
63.02278	0.4
65.00193	6.7
69.43167	1.4
69.43581	0.7
71.01244	2.0
72.99178	0.4
73.02816	0.5
82.32150	0.3
82.42165	0.3
83.01253	0.7
85.02804	0.6
89.00178	1.5
89.02312	0.7
91.01753	1.2
93.03339	2.6
97.02826	4.8
101.02336	1.0
107.01263	1.9
109.02815	1.9
113.02341	0.7
117.03348	2.4
119.04886	0.6
121.02840	18.2
122.03222	0.8
124.01592	0.3
125.02345	0.3
125.25291	0.3
133.02850	0.3
138.03113	0.3
139.03911	1.0
145.02852	8.7
146.01328	0.3
147.00778	0.3
149.02380	1.8
149.99486	1.9
151.00279	4.3
159.04388	0.3
161.02374	0.5
161.04498	0.5
163.00273	1.2
163.03899	0.5
164.01018	0.5
165.01836	48.4
166.02185	2.5
169.01306	0.3
171.10184	0.3
175.00128	0.3
175.03912	0.6
178.99756	1.6
179.03285	0.4
183.02838	0.6
183.10245	0.7
187.03912	0.3
192.00536	0.9
193.01341	6.3
199.03870	0.3
207.02963	0.9
211.04008	0.6
215.03339	0.4
226.02615	0.4
227.03456	1.1
228.04169	0.8
229.05092	0.3
243.02950	1.0
243.06459	0.3
244.03622	0.6
245.04280	0.3
255.03067	1.4
256.03711	0.9
257.04535	0.3
259.06067	0.8
269.04529	0.5
271.02466	5.3
272.03146	1.3
273.03833	0.3
282.01700	0.3
283.02371	0.6
285.04065	0.5
287.01941	1.2
287.05594	1.8
288.02634	0.4
298.98721	0.4
299.01913	7.0
299.99426	0.4
300.02695	10.0
300.06168	0.5
301.03506	12.2
302.03909	1.1
313.03589	0.4
314.04279	5.3
315.05075	100.0
316.01749	0.5
316.05399	9.1
329.23206	1.6
330.03772	2.0
331.04520	0.7
345.06155	0.3
397.09171	0.5
417.24835	0.4
477.10809	8.3
477.21191	5.2
477.28326	1.1
478.10425	1.1
478.21707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
65.00203	1.1
71.09432	1.3
84.23800	0.6
89.96456	0.5
93.03394	0.7
97.02822	1.7
109.02816	3.5
121.02837	6.1
149.99501	0.5
151.00244	1.9
158.43745	0.5
163.00307	0.7
164.01060	0.6
165.01855	14.6
171.04393	1.0
183.02893	0.6
187.04018	0.6
193.01340	3.8
199.03951	3.0
201.01866	0.9
203.03409	1.0
215.03444	2.6
226.02687	1.3
227.03429	4.5
228.04111	0.6
243.02982	8.3
244.03471	1.5
254.02222	2.0
255.03012	2.6
256.03781	0.9
269.04498	2.2
270.01642	0.9
271.02472	79.2
272.02841	5.8
285.04019	2.7
286.04337	0.6
287.01944	3.1
287.05252	0.8
299.01956	94.1
300.02502	13.8
301.03268	0.6
314.04306	90.7
315.01761	3.4
315.05042	75.3
316.05441	6.2
330.03818	4.3
331.04446	2.3
357.06207	0.9
477.10355	100.0
478.10678	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39979	0.8
58.56713	0.8
59.01257	3.3
63.02261	1.9
65.00208	1.7
67.19807	0.7
69.03326	1.0
69.31378	7.1
71.01260	5.2
73.02802	1.1
82.59714	0.8
82.82741	0.9
83.01264	1.7
85.02841	3.5
89.02317	0.9
93.03343	1.0
95.01312	1.3
101.02383	1.3
104.08817	0.8
107.01255	5.3
108.02050	35.8
109.02849	22.6
110.03201	0.9
113.02316	1.9
121.02824	5.7
123.00796	1.6
123.04437	0.8
124.65837	0.7
125.02341	2.2
133.02841	18.5
135.04404	7.6
135.06586	1.1
139.03915	0.9
149.02477	1.3
151.00270	23.7
152.01057	49.1
153.01851	19.3
153.09177	2.7
154.02196	1.1
159.04497	0.9
161.02353	46.0
162.02750	1.8
163.00356	2.7
163.03935	1.3
165.01906	1.9
169.01379	1.9
171.04533	1.0
178.99794	8.5
179.03426	3.7
179.07411	0.8
187.04060	1.5
202.02678	0.9
211.04082	1.1
227.03497	1.8
229.05196	1.4
243.03079	1.1
245.04669	2.1
255.03085	2.7
257.04608	1.1
258.01825	1.3
259.02649	0.9
271.02454	1.6
273.04120	2.3
283.02634	1.4
286.01331	1.4
287.02182	2.2
297.12122	1.5
298.01138	1.0
301.03513	74.8
302.03976	7.4
309.03189	0.8
315.01788	7.1
315.07202	41.9
316.07700	3.4
323.08035	1.2
385.02261	0.8
433.11288	5.0
477.10663	100.0
477.19464	3.7
478.11029	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	477.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	13.1
65.00191	6.3
71.01254	2.1
71.51887	2.8
76.55453	1.4
85.02803	1.8
89.02307	2.2
93.03319	4.6
97.02827	4.5
101.02325	1.7
106.19952	1.3
106.45625	1.4
107.01270	2.6
109.02822	6.5
121.02845	20.7
123.00817	3.3
128.22589	1.3
129.93806	1.4
131.43797	1.5
133.02840	2.4
135.00778	1.4
137.02321	6.3
139.03854	3.1
148.01595	2.6
149.02330	5.1
149.99533	3.5
151.00284	8.8
153.01836	7.6
159.04393	3.2
161.02386	1.5
163.00252	3.2
164.01053	8.4
164.98178	3.2
165.01837	71.0
165.99007	2.3
166.02222	2.3
167.03394	2.7
169.01300	2.0
171.04440	2.3
175.00240	4.2
175.03900	3.4
175.42549	1.3
176.01030	2.3
178.99812	8.8
180.00432	2.0
181.01256	1.7
187.03984	1.5
189.01961	1.6
193.01328	13.6
198.03119	3.2
199.03920	4.7
201.01901	2.6
203.03459	1.4
207.02994	2.4
213.01820	1.6
214.02612	2.0
215.03455	8.2
217.05176	1.4
221.00650	2.1
225.46051	1.3
226.02644	5.0
226.32854	1.6
227.03444	3.1
230.02324	1.7
231.02759	3.7
241.01265	1.8
241.05064	2.1
242.02148	5.7
243.02946	9.4
244.03662	2.3
254.02225	5.0
255.02898	2.0
256.03690	4.1
257.04495	1.9
258.01535	1.7
259.02454	5.4
259.05939	1.7
269.01764	1.2
269.04559	9.9
270.01694	9.9
270.04504	2.0
271.02466	71.3
272.02911	7.7
283.02579	1.7
285.04037	24.2
286.04666	5.8
287.02017	40.8
287.05475	7.3
288.02521	3.7
298.01160	3.1
299.02020	10.6
300.02695	9.9
301.03519	12.3
302.03824	2.6
303.05136	3.7
313.03516	42.6
314.04044	9.2
315.01437	53.6
315.05096	82.8
316.02097	18.7
316.05472	6.0
317.02643	1.4
330.03775	73.4
331.04523	86.5
332.04913	6.8
341.08978	2.0
389.25476	1.4
477.10367	100.0
478.10681	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	476.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03586	0.6
58.96314	0.5
59.00999	0.9
59.01249	9.8
61.98680	0.8
65.00186	0.9
67.01752	0.6
68.99671	1.4
69.03323	0.9
70.71411	0.6
71.01252	8.9
71.37049	0.7
72.99171	1.9
73.02787	1.3
75.00733	3.6
75.21039	0.6
79.01746	0.6
79.95599	3.8
81.03336	0.7
83.01234	1.8
85.02822	1.8
87.00736	1.7
88.00267	1.0
88.98714	0.9
89.02312	4.8
93.03333	1.4
95.01256	2.3
96.95890	8.7
97.02819	1.7
99.00782	1.4
101.02335	3.3
107.01250	6.0
108.02124	0.5
109.02824	4.2
111.00754	2.2
113.02316	2.5
115.00252	4.9
119.04908	49.2
120.05241	1.7
120.26315	0.5
121.02804	1.7
123.00766	9.0
123.04388	0.8
124.01552	1.8
125.02332	37.0
126.02705	0.8
127.00235	0.8
131.03372	1.2
133.02870	1.6
134.03596	0.9
135.00745	0.7
135.02878	1.3
135.04398	1.8
136.98849	0.9
137.02364	1.9
139.00291	3.6
139.03912	1.3
139.07599	0.7
140.00993	2.5
141.01820	1.4
145.02835	1.4
147.04332	0.8
149.02328	1.8
151.00259	8.3
151.03952	0.7
152.30859	0.6
153.01871	1.6
153.23805	0.6
153.99127	0.7
154.99753	1.1
161.02347	1.9
161.04465	1.0
163.00270	0.7
163.02530	1.3
163.03908	23.9
164.01006	0.7
165.01907	2.9
165.98969	1.0
166.99760	1.2
167.03418	1.2
168.00507	2.0
169.01329	46.5
170.01689	0.8
171.04288	0.8
173.02386	1.7
174.03198	0.7
175.00342	0.9
175.03897	1.1
177.01828	1.7
178.99779	1.3
179.03374	1.3
181.01344	1.6
183.10190	1.5
185.02429	0.6
189.01833	1.8
190.02618	0.6
191.03442	0.7
191.05432	0.6
193.01334	2.0
197.00829	1.0
201.01848	1.5
202.02606	1.0
203.03398	1.7
205.01396	1.1
207.02959	0.8
209.00844	0.9
211.02434	1.3
213.01979	0.8
214.02650	1.2
214.99855	0.9
215.03453	0.8
216.00471	0.8
217.01347	1.3
218.01939	0.6
219.02826	1.1
223.02240	0.7
229.01341	1.1
230.02104	0.7
231.02863	1.2
242.02144	1.0
242.99228	3.0
243.03099	0.7
245.00731	2.0
249.03944	0.8
257.00790	0.9
258.01736	5.0
259.02390	1.4
269.00891	1.0
270.98825	48.0
271.99121	2.7
275.01920	0.9
282.98978	0.7
283.99609	6.9
285.00400	15.0
286.01178	9.2
287.01813	1.6
289.03488	0.8
291.05240	0.8
297.00317	2.3
298.98315	68.6
299.98996	14.1
300.99707	1.9
301.03479	3.9
303.01276	1.1
305.02930	1.0
311.09860	1.0
312.96140	0.9
312.99841	25.4
313.05594	31.2
314.00659	67.9
315.01169	8.5
315.04984	1.6
315.08557	0.7
317.02731	0.7
319.04535	0.8
325.05481	0.6
347.04077	1.1
363.03677	1.4
389.12643	1.0
433.11389	2.3
477.06711	100.0
477.10294	31.3
477.20148	3.3
478.05994	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	477.0671
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.84974	0.9
56.13520	0.9
57.06624	1.1
59.01256	2.3
61.00597	1.0
61.92832	0.8
63.02262	2.7
65.00196	5.9
68.83851	1.0
71.01252	2.9
82.22186	0.9
83.01254	3.5
85.02817	2.2
93.03378	1.7
98.19807	2.9
107.01270	13.0
109.02835	7.0
113.02286	2.0
121.02831	9.7
149.02364	2.0
151.00279	39.6
152.00615	1.1
160.30217	1.2
160.93324	1.1
163.00266	6.1
167.04796	1.4
169.01341	1.6
178.99789	15.1
183.04402	1.5
201.05482	2.2
211.03987	2.4
215.36890	1.0
227.03458	3.7
229.04939	1.2
245.02243	1.2
245.04558	4.0
255.02936	7.1
256.03595	1.0
271.02457	2.3
273.04135	2.5
283.02612	2.6
301.03525	100.0
302.03891	8.0
477.06577	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90719	0.4
59.01250	1.5
62.96275	0.5
69.32024	0.4
71.20964	0.7
78.95773	36.3
96.96831	1.3
99.10754	0.4
100.70963	0.4
122.00007	1.0
122.50861	0.4
134.42329	0.4
140.01076	5.5
151.00282	0.9
152.79745	0.4
152.99460	3.1
171.00534	3.3
196.03726	10.8
214.04810	2.1
261.22226	0.4
269.04526	0.5
271.02426	0.6
279.23285	100.0
280.23627	9.2
280.25827	0.3
299.02103	0.5
301.03528	4.8
314.04239	0.5
475.35928	0.5
476.27771	37.1
477.06088	0.7
477.28033	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	476.2783
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.49294	0.3
51.91811	0.3
53.94296	0.2
55.57882	0.3
59.01214	1.0
61.98687	0.3
69.98023	0.7
69.98431	0.8
73.69582	0.3
78.95776	13.0
96.33029	0.3
96.96870	0.3
98.20525	0.3
107.01217	0.4
109.02811	0.4
130.84689	0.3
140.01053	1.9
141.58893	0.3
151.00218	0.9
151.57883	0.3
152.99455	1.9
171.00569	1.5
196.03680	1.5
214.04782	2.8
239.80765	0.3
261.22238	0.3
279.23285	100.0
280.23648	10.2
301.03467	2.3
312.82767	0.3
314.04266	0.3
375.28979	0.4
376.29425	1.0
410.13232	0.3
476.27866	11.8
476.34698	0.8
477.06100	0.4
477.27911	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	476.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68727	0.2
57.03334	0.4
59.01249	6.6
60.01587	0.4
60.82253	0.2
61.98701	100.0
62.98389	0.3
65.00198	0.6
71.01259	2.1
71.14079	0.2
72.99179	0.4
73.02825	0.6
75.00758	1.0
75.34194	0.3
78.95775	0.2
81.01179	0.2
82.46473	0.3
83.01260	0.5
83.04910	0.6
85.02838	0.9
86.92377	0.2
87.00765	0.5
89.02326	1.0
93.03332	0.8
99.00743	0.4
101.02351	1.2
107.01293	0.9
109.02821	1.0
113.02339	0.9
116.41341	0.2
119.03349	0.4
120.99562	1.0
121.02827	1.7
123.04474	0.7
125.02361	1.1
135.02869	1.6
137.02353	0.8
145.02853	0.3
149.02357	0.6
151.00282	3.9
160.01599	0.5
161.02405	0.8
161.04512	0.9
161.05954	0.3
163.00330	0.8
165.01846	2.3
167.06032	1.5
169.01337	0.5
171.10147	0.3
173.02394	0.3
174.03177	0.5
175.03897	1.5
176.01018	0.5
177.01865	0.7
178.99809	1.5
185.06163	0.3
187.03943	0.8
189.01865	0.6
190.02448	0.3
191.03024	0.3
193.01419	0.6
199.03943	0.4
201.14897	0.3
204.00623	0.6
205.01292	0.7
205.05156	0.6
206.01675	0.3
208.00096	0.3
209.00943	0.4
209.07164	0.9
209.11852	0.8
211.04045	0.5
213.01830	0.3
227.03551	1.2
241.60178	0.3
243.03030	0.7
245.04616	0.4
249.05688	0.3
250.06381	0.4
253.14172	0.3
253.18205	0.3
255.03082	1.2
257.04208	0.3
271.02478	2.7
273.04126	0.4
278.06073	0.3
282.05240	0.4
283.02472	0.3
283.13452	1.1
286.08154	0.3
287.02118	0.6
296.04141	0.3
296.06818	1.3
298.01208	0.3
298.98587	0.3
299.01895	4.6
299.99567	0.4
300.02866	1.3
301.03519	13.6
307.05972	0.3
313.03351	0.6
314.04205	4.5
315.01511	0.7
315.04974	4.5
324.06558	0.8
330.03928	1.1
331.04623	0.3
344.13989	0.3
354.12793	1.0
359.28125	0.8
371.15054	0.4
372.13419	0.4
397.09442	0.9
416.12393	2.2
416.23743	1.0
462.09366	1.5
475.34579	0.9
476.34937	2.4
477.11438	3.8
477.22073	0.4
477.28174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01247	100.0
60.01577	1.7
61.98699	15.9
62.39906	0.7
69.41702	2.4
69.42128	4.3
69.56966	0.8
71.01247	11.2
71.04877	1.0
73.02814	3.4
74.50109	0.7
75.00732	2.0
83.01250	1.4
83.04895	2.0
85.02812	4.1
87.00768	1.1
89.02344	4.4
95.01305	1.1
97.02792	1.4
99.48643	0.8
101.02334	8.7
113.02325	5.7
116.79752	0.8
119.03377	2.1
119.04911	2.4
121.02833	1.4
123.00816	0.8
125.02258	0.8
125.43382	0.9
145.02858	1.4
149.02397	1.0
150.03120	3.1
161.02336	1.5
161.04449	5.1
163.03923	1.8
165.01901	0.8
165.05457	3.8
165.09193	1.0
173.02348	1.7
175.03851	1.2
179.05473	0.8
185.11740	1.3
187.03906	2.7
189.01840	1.3
205.01317	1.1
209.11760	11.1
210.12106	1.1
252.16783	0.9
253.18053	61.5
254.18407	4.5
295.19193	1.4
327.25372	4.7
329.06351	1.0
330.05307	2.6
331.06036	1.9
339.25238	1.0
343.21527	1.6
357.26443	27.0
358.20023	1.5
358.26749	3.0
363.21075	0.8
394.09323	0.9
397.10562	1.4
415.23322	11.3
416.23776	1.6
475.02109	2.1
475.08929	1.2
475.14609	1.0
475.29498	7.5
475.34668	0.9
476.14554	1.0
476.29358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65602	0.3
52.81712	0.3
57.03296	0.3
59.01251	4.9
61.44995	0.3
61.98700	100.0
70.29434	1.0
71.01246	1.7
72.99186	0.5
73.15075	0.3
80.01357	0.3
83.01267	0.4
85.02851	0.8
86.41431	0.3
92.58774	0.4
93.03313	0.5
95.01263	0.4
96.00917	0.3
101.02325	0.6
107.01284	0.9
109.02828	0.7
113.02378	0.5
121.02883	1.0
121.61327	0.4
123.00768	1.4
125.02351	1.5
145.02885	1.0
145.06477	0.3
151.00281	3.2
161.02377	0.8
163.07593	1.1
165.01840	0.5
169.01353	1.9
174.03145	0.6
175.03893	2.8
177.09155	0.9
178.99800	1.4
183.02977	0.4
183.04536	0.4
187.00247	0.4
189.01880	0.5
211.02478	0.4
228.50452	0.4
243.02907	0.4
252.16920	0.4
253.17033	0.3
255.03006	0.7
271.02484	2.2
298.98917	0.6
299.01807	2.5
300.02975	0.4
301.03525	9.3
301.06909	0.5
314.04114	1.7
315.01620	0.6
315.05267	1.7
330.03952	0.5
358.26990	0.4
397.09180	1.1
416.23911	0.4
476.09781	1.0
477.06207	0.6
477.15125	3.0
477.28726	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	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01247	100.0
60.01577	1.7
61.98699	15.9
62.39906	0.7
69.41702	2.4
69.42128	4.3
69.56966	0.8
71.01247	11.2
71.04877	1.0
73.02814	3.4
74.50109	0.7
75.00732	2.0
83.01250	1.4
83.04895	2.0
85.02812	4.1
87.00768	1.1
89.02344	4.4
95.01305	1.1
97.02792	1.4
99.48643	0.8
101.02334	8.7
113.02325	5.7
116.79752	0.8
119.03377	2.1
119.04911	2.4
121.02833	1.4
123.00816	0.8
125.02258	0.8
125.43382	0.9
145.02858	1.4
149.02397	1.0
150.03120	3.1
161.02336	1.5
161.04449	5.1
163.03923	1.8
165.01901	0.8
165.05457	3.8
165.09193	1.0
173.02348	1.7
175.03851	1.2
179.05473	0.8
185.11740	1.3
187.03906	2.7
189.01840	1.3
205.01317	1.1
209.11760	11.1
210.12106	1.1
252.16783	0.9
253.18053	61.5
254.18407	4.5
295.19193	1.4
327.25372	4.7
329.06351	1.0
330.05307	2.6
331.06036	1.9
339.25238	1.0
343.21527	1.6
357.26443	27.0
358.20023	1.5
358.26749	3.0
363.21075	0.8
394.09323	0.9
397.10562	1.4
415.23322	11.3
416.23776	1.6
475.02109	2.1
475.08929	1.2
475.14609	1.0
475.29498	7.5
475.34668	0.9
476.14554	1.0
476.29358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03304	1.5
58.00459	1.9
59.01251	100.0
61.98717	1.4
69.66486	4.9
71.01253	44.1
72.01607	0.8
72.99179	1.6
73.02816	7.1
83.01261	3.1
85.02824	12.2
85.06452	4.2
86.03579	0.9
87.00759	2.4
87.46468	0.8
89.02314	45.7
90.02667	0.9
93.03341	1.3
94.01485	0.8
95.01268	2.6
95.04887	4.4
96.35735	0.8
97.35063	0.7
99.00780	2.2
101.02323	29.1
110.59399	0.8
113.02334	15.7
113.06006	1.0
119.03389	22.6
119.08563	1.4
125.02347	1.5
131.03442	2.6
131.07040	22.5
135.04468	0.8
137.02280	1.1
137.05991	1.2
137.09616	0.8
143.03403	3.7
145.02908	2.2
149.04480	1.6
153.24666	0.7
155.10722	3.7
159.02930	1.7
161.04475	12.0
165.05527	1.7
165.09171	2.2
173.08246	0.9
174.03131	1.0
175.03964	3.3
179.05534	16.4
179.06985	1.1
179.10724	2.2
181.08612	6.3
191.03404	8.6
196.37169	0.8
199.09781	2.6
207.10156	1.5
223.09795	1.8
232.11926	0.8
253.18156	0.8
275.11435	1.4
293.12418	41.6
294.12915	2.7
299.68848	0.8
313.07257	3.0
411.62805	0.8
415.23373	32.4
416.24036	4.0
475.22113	26.3
476.22421	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01247	100.0
60.01580	0.8
61.98702	6.1
69.29789	0.6
69.30135	3.6
71.01252	5.6
72.99192	0.4
73.02829	1.6
76.70640	0.4
77.75137	0.4
83.01259	1.2
85.02820	3.0
87.00745	0.4
89.02296	2.4
89.94785	0.4
93.03349	0.4
99.00763	1.0
101.02327	5.1
113.02324	2.5
119.03416	1.2
135.04442	0.4
137.02342	0.5
139.05461	1.5
141.03375	0.9
147.04417	1.4
154.04213	0.4
155.04886	0.9
161.04514	1.2
164.85268	0.4
167.04936	2.0
168.02917	1.1
171.04430	0.4
175.03947	0.6
179.05499	0.5
183.04449	2.9
195.04500	0.4
198.03093	0.5
199.03929	3.6
211.03899	1.1
216.00557	0.4
226.02733	2.4
227.03375	2.2
239.03590	1.1
253.18048	2.6
255.02957	31.3
256.03323	2.3
269.04541	1.7
283.02460	46.2
284.02802	3.9
297.03918	3.6
298.04785	24.6
299.05161	2.1
311.05603	0.9
313.07147	47.7
314.07474	5.7
340.05835	1.0
355.08356	1.2
357.26572	1.3
415.23340	28.7
416.23840	2.9
460.10309	0.6
475.02136	1.3
475.26645	0.8
475.35117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
58.00454	1.4
59.01250	100.0
60.01584	1.3
61.98692	2.5
63.06238	0.7
69.03326	0.9
69.31597	1.0
69.31939	7.2
71.01252	42.2
72.01598	0.8
72.99171	3.4
73.02812	3.6
75.00741	3.4
83.01241	2.9
85.02824	6.4
86.67385	0.8
87.00739	12.7
87.04439	0.8
88.00263	2.8
89.02316	63.5
90.02654	1.3
93.03337	1.2
95.01273	1.8
96.95897	1.4
96.99147	0.9
97.02819	0.8
99.00745	5.6
101.02324	28.0
102.90227	0.8
109.02821	2.4
113.02335	12.5
115.00202	0.8
119.02698	0.9
119.03395	9.5
119.04921	2.3
120.99523	1.9
123.00766	1.3
123.04417	1.3
125.02341	4.7
128.00833	0.7
129.01816	3.3
131.03398	46.8
132.03763	0.7
134.03604	1.4
135.02925	7.6
135.04437	1.7
138.03168	1.2
143.03409	3.9
145.02783	1.2
147.04390	5.6
147.66031	0.8
149.04456	48.4
150.04790	1.6
150.38022	0.7
153.05428	2.7
159.04361	1.8
160.01514	1.1
161.02332	1.1
161.04433	3.1
163.03860	1.3
169.01360	4.2
173.02357	1.5
175.03929	2.2
176.04478	1.4
177.01820	1.1
179.05551	12.5
183.10197	2.1
190.02634	0.8
191.03450	5.1
191.05508	28.4
191.07047	1.3
192.05846	0.9
193.04999	1.5
201.05484	1.1
221.06552	1.8
225.05855	3.8
225.11383	0.9
226.06325	1.0
229.01402	1.3
251.07602	3.8
269.08118	1.6
283.11908	2.8
285.13690	0.8
295.09625	2.0
300.99710	2.3
311.09933	1.2
313.07178	2.3
339.04990	2.9
340.04938	0.9
357.09705	7.9
358.09918	1.1
415.16125	6.0
475.08514	2.3
475.17004	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	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43441	3.8
56.31111	4.2
59.01248	10.3
61.94267	4.0
66.03139	3.8
71.01250	27.7
72.99159	7.3
74.98988	5.1
75.00742	7.1
85.02842	4.6
87.00764	6.9
89.02314	7.8
95.01267	15.5
109.02827	10.8
111.00727	5.9
115.00253	35.9
119.04918	9.0
121.02866	6.9
123.00764	27.9
123.04408	9.2
125.02338	19.3
126.49477	4.4
133.01314	100.0
133.04973	34.8
135.02867	11.0
135.03336	5.5
135.04399	74.7
136.98926	4.9
137.02269	5.0
145.02835	7.8
149.05956	13.6
151.00227	5.3
151.03888	5.9
153.05493	4.3
161.02365	8.4
161.06041	4.9
163.03934	4.9
165.03986	9.9
166.99782	4.2
167.82211	4.0
169.01363	16.4
169.65553	4.4
173.04424	6.5
175.04004	7.5
177.01845	12.4
179.03432	29.0
191.03358	10.1
191.05518	14.4
191.07005	5.0
197.04404	7.9
201.01886	5.9
203.03395	7.8
222.01608	9.1
223.06073	9.7
229.01309	12.4
231.03186	4.9
271.09775	5.8
275.01956	14.1
288.11343	4.1
289.07263	7.3
297.09641	5.0
300.99933	31.9
301.02866	7.1
315.11115	6.9
346.00638	3.9
359.09955	4.7
376.02512	7.0
390.02051	6.3
390.52820	9.8
391.03088	33.5
391.53223	15.7
475.09756	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	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02764	0.4
59.01251	3.5
61.98707	2.9
65.00196	0.3
69.99725	1.8
71.01241	1.3
75.00717	0.5
85.02841	0.6
89.02314	0.4
97.02863	0.4
98.19907	0.5
100.29679	0.3
101.02322	1.2
102.35091	0.3
107.36110	0.4
108.18405	0.4
109.99982	0.7
111.47598	0.4
113.02327	0.9
121.02814	0.3
145.02855	0.4
150.03113	2.3
165.01886	2.0
165.05446	2.4
182.03633	0.6
198.03120	1.2
199.03847	0.6
209.11768	1.0
210.03149	0.6
213.05432	0.7
214.02640	1.4
215.03381	0.6
226.02625	3.1
227.03453	1.2
229.01196	0.4
241.05026	1.2
242.02173	9.7
243.02942	5.8
245.00903	1.5
254.02135	5.5
255.02815	1.1
257.04501	6.1
258.05289	1.3
269.04593	4.4
270.01703	9.7
270.04617	0.7
271.02457	13.9
272.02811	0.8
285.04037	10.2
286.04703	3.1
289.18066	0.4
298.01096	3.0
299.01941	17.2
300.02246	1.5
313.03531	47.7
314.04263	30.8
314.09644	0.5
315.04492	2.7
328.05865	22.9
329.06638	100.0
330.07022	8.6
357.19073	0.4
357.25906	0.4
369.30624	0.4
399.07126	1.4
400.07919	0.5
415.23264	0.8
475.02264	0.7
475.12463	11.3
475.25833	0.5
476.12845	2.0
477.14365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91505	0.8
55.01752	1.9
57.03307	2.4
59.01248	64.6
61.89344	1.1
61.98686	3.7
65.71899	0.8
69.03314	2.0
69.31973	7.7
71.01250	25.9
72.99181	1.7
73.02812	6.3
75.00737	1.3
83.01248	3.8
83.80977	0.8
84.88181	0.9
85.02823	9.8
87.00746	3.5
87.04380	0.8
88.98685	4.6
89.02305	12.9
93.03333	17.1
95.01236	3.4
97.02808	1.2
98.20622	1.8
99.00729	2.9
101.02323	19.2
101.05940	0.8
102.64220	0.8
107.01263	1.2
108.02049	39.1
109.02840	2.4
111.00694	1.1
113.02330	10.1
117.03346	24.3
119.03421	4.4
119.04903	14.2
120.99513	3.7
121.02839	1.0
123.00760	1.4
123.04404	16.6
125.02326	4.0
129.01791	1.3
129.05435	2.5
131.03366	1.6
133.02824	2.5
135.04414	2.7
135.98225	1.5
136.01535	1.2
137.02336	26.3
143.03404	2.1
145.02852	96.9
146.03151	4.0
147.04329	0.9
149.05978	48.4
150.06313	1.2
151.03851	1.8
152.01050	70.4
152.07004	1.7
153.01526	2.6
153.09090	1.3
156.89996	0.8
159.02911	1.3
159.04364	1.4
160.01520	1.9
161.02313	2.1
161.04456	9.9
161.05765	1.3
163.03908	11.1
167.03407	100.0
167.25850	0.8
168.03743	4.7
169.01305	1.5
173.02272	1.3
174.03214	0.9
175.03899	3.4
177.01816	1.6
177.62169	1.0
179.03363	2.0
179.05502	2.6
180.04143	2.4
181.04945	5.1
183.10242	2.5
187.03906	2.1
189.87267	0.9
193.05014	8.9
196.78711	0.9
200.04703	0.8
227.03413	1.3
243.02878	2.0
247.06050	2.0
255.02853	3.8
271.02493	9.2
272.03018	1.6
281.06653	29.5
282.06964	1.9
287.15012	2.1
299.02136	1.0
299.99442	1.8
300.02731	16.1
301.03256	3.8
307.08215	81.6
308.08508	8.0
309.11890	6.6
313.16577	1.4
337.09277	2.6
339.07239	1.2
355.10153	8.0
356.10529	1.0
397.39114	0.9
403.10178	1.5
415.23376	25.9
416.23477	2.2
463.08698	1.1
475.12466	17.6
475.21887	12.4
476.12689	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91505	0.8
55.01752	1.9
57.03307	2.4
59.01248	64.6
61.89344	1.1
61.98686	3.7
65.71899	0.8
69.03314	2.0
69.31973	7.7
71.01250	25.9
72.99181	1.7
73.02812	6.3
75.00737	1.3
83.01248	3.8
83.80977	0.8
84.88181	0.9
85.02823	9.8
87.00746	3.5
87.04380	0.8
88.98685	4.6
89.02305	12.9
93.03333	17.1
95.01236	3.4
97.02808	1.2
98.20622	1.8
99.00729	2.9
101.02323	19.2
101.05940	0.8
102.64220	0.8
107.01263	1.2
108.02049	39.1
109.02840	2.4
111.00694	1.1
113.02330	10.1
117.03346	24.3
119.03421	4.4
119.04903	14.2
120.99513	3.7
121.02839	1.0
123.00760	1.4
123.04404	16.6
125.02326	4.0
129.01791	1.3
129.05435	2.5
131.03366	1.6
133.02824	2.5
135.04414	2.7
135.98225	1.5
136.01535	1.2
137.02336	26.3
143.03404	2.1
145.02852	96.9
146.03151	4.0
147.04329	0.9
149.05978	48.4
150.06313	1.2
151.03851	1.8
152.01050	70.4
152.07004	1.7
153.01526	2.6
153.09090	1.3
156.89996	0.8
159.02911	1.3
159.04364	1.4
160.01520	1.9
161.02313	2.1
161.04456	9.9
161.05765	1.3
163.03908	11.1
167.03407	100.0
167.25850	0.8
168.03743	4.7
169.01305	1.5
173.02272	1.3
174.03214	0.9
175.03899	3.4
177.01816	1.6
177.62169	1.0
179.03363	2.0
179.05502	2.6
180.04143	2.4
181.04945	5.1
183.10242	2.5
187.03906	2.1
189.87267	0.9
193.05014	8.9
196.78711	0.9
200.04703	0.8
227.03413	1.3
243.02878	2.0
247.06050	2.0
255.02853	3.8
271.02493	9.2
272.03018	1.6
281.06653	29.5
282.06964	1.9
287.15012	2.1
299.02136	1.0
299.99442	1.8
300.02731	16.1
301.03256	3.8
307.08215	81.6
308.08508	8.0
309.11890	6.6
313.16577	1.4
337.09277	2.6
339.07239	1.2
355.10153	8.0
356.10529	1.0
397.39114	0.9
403.10178	1.5
415.23376	25.9
416.23477	2.2
463.08698	1.1
475.12466	17.6
475.21887	12.4
476.12689	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	475.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52639	1.6
57.03326	1.9
59.01250	11.4
59.22321	1.6
61.98701	3.2
66.49823	1.5
71.01273	2.9
71.51576	2.6
78.95778	1.8
82.83185	1.7
91.01772	1.8
93.03352	4.5
107.04894	1.9
117.03320	5.7
119.01270	2.4
121.02834	19.5
124.01569	1.7
132.02016	2.2
135.00690	2.4
135.04416	2.4
139.03912	2.1
147.00798	2.9
152.01047	5.8
160.01575	3.4
161.02347	45.2
162.02728	3.0
163.00264	3.7
163.03893	2.3
165.01674	1.9
173.02347	5.3
174.03127	11.8
175.00298	6.3
175.03873	12.2
176.01074	28.0
177.01852	35.2
178.02193	2.6
187.00224	5.0
187.03894	9.3
188.04384	2.1
189.01857	33.0
190.02344	3.1
191.03433	2.1
200.04649	3.2
201.01758	1.9
201.05516	4.8
202.02670	2.7
203.03456	3.8
204.00560	63.7
205.01355	100.0
206.01799	6.2
208.05240	3.0
209.11664	3.8
211.03929	3.0
215.03416	4.6
216.00615	1.9
217.05022	2.5
222.03212	2.1
223.07556	6.7
224.04813	2.0
225.05423	1.9
226.02615	2.9
227.03342	2.5
227.07178	2.4
229.01326	2.6
229.04910	5.2
231.02919	5.2
239.03462	3.8
239.07147	4.4
240.04297	5.0
241.08592	2.3
243.02907	4.2
244.03529	2.0
245.04488	4.9
251.07130	8.9
253.05022	2.8
255.02962	2.4
255.06566	6.2
256.03775	12.8
257.08072	2.0
261.05435	5.3
267.06631	9.1
268.07263	3.7
269.04355	2.4
269.08130	7.2
271.09717	12.4
272.03214	4.0
283.06046	6.2
284.06842	7.0
285.07690	16.1
289.05078	4.9
290.05841	2.4
301.07181	18.8
305.04694	3.7
318.05075	2.2
329.03210	3.7
333.04013	18.1
334.04648	4.0
344.03149	9.9
345.04108	4.8
354.05020	2.8
355.06155	4.0
357.03989	7.5
357.26233	5.0
358.04752	2.9
360.02890	4.5
361.03528	17.8
362.04224	15.9
363.04736	4.3
371.05441	2.5
372.06400	2.5
374.04080	2.3
378.05399	3.0
382.04874	3.0
383.05118	2.4
385.07205	2.8
392.06735	2.3
393.07745	5.8
395.05219	3.3
396.06161	3.5
400.05832	2.2
403.08371	2.4
410.04080	6.0
411.08820	12.1
415.23141	2.2
421.07083	4.9
439.08267	25.8
457.08990	6.5
474.32996	3.5
475.03360	3.0
475.10229	22.5
475.27036	5.4
475.34875	3.8
476.10425	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08810	0.3
59.01247	1.7
71.01257	0.4
78.95772	17.9
80.02490	0.3
83.04875	0.3
93.04207	0.3
96.96837	1.0
99.76663	0.3
109.06466	0.3
111.56634	0.3
114.06447	0.2
127.07553	0.3
130.94043	0.3
140.01074	2.5
152.99504	2.4
155.10567	0.3
171.00519	1.6
177.25792	0.3
196.03712	1.6
214.04816	3.7
233.22711	0.4
259.20560	0.5
277.21707	100.0
278.22043	10.0
287.14368	0.3
400.22430	0.3
456.31772	0.3
457.33740	0.4
472.34103	0.4
473.35754	0.4
474.26230	12.6
474.33176	5.9
475.26477	1.9
475.34259	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	475.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20305	1.9
58.24323	1.9
59.01258	11.6
61.98666	3.0
63.76767	2.0
71.01268	2.3
71.50122	2.8
73.02818	2.1
73.74738	1.8
80.84043	1.8
91.01757	2.4
93.03314	4.6
110.06957	1.9
117.03346	2.6
117.43105	1.7
121.02823	5.8
122.45355	1.8
125.05929	1.8
133.02821	2.2
142.68048	1.8
160.01579	4.9
161.02344	35.4
163.00243	11.1
173.02318	5.7
174.03119	8.8
175.03899	11.0
176.00996	2.4
177.01863	12.0
187.00291	11.0
187.03925	10.6
189.01839	32.2
199.03836	2.5
200.04634	3.1
202.02649	2.0
202.99806	3.2
203.03387	5.5
204.00519	2.3
205.01299	9.7
209.11765	11.7
211.03917	5.9
215.03458	4.5
225.05287	2.6
228.03806	2.0
229.04968	2.2
231.02934	4.6
237.05408	3.7
239.07109	5.5
240.04051	3.1
247.06232	2.3
253.05009	2.8
254.05873	2.2
255.06532	5.4
257.08173	2.4
261.05463	9.3
262.06433	10.1
265.05096	2.4
266.05804	2.3
267.06537	12.9
268.03799	2.1
268.07394	11.9
277.04871	2.6
289.05142	9.4
290.05823	12.7
291.06226	2.2
301.05051	6.5
305.04462	5.8
307.18875	2.2
316.03802	12.4
317.04486	12.3
318.05295	6.8
319.06021	5.2
333.04138	11.5
334.04739	22.0
335.05176	3.3
344.03253	44.9
345.04001	32.5
346.04523	5.7
355.06238	3.8
357.04053	3.1
358.04675	4.7
360.02557	2.7
361.03473	27.5
362.04276	93.9
363.04974	20.9
369.07535	4.9
371.05521	2.4
372.06296	5.4
383.05447	2.6
387.32773	10.6
396.05539	2.6
399.04950	3.2
400.05756	7.1
401.06470	6.6
403.04129	2.5
413.30505	6.8
414.07040	2.4
415.86798	2.3
429.09747	4.5
431.31772	21.8
439.08154	2.7
457.09119	9.2
474.34000	9.0
475.10330	100.0
475.30396	74.0
476.10709	17.5
476.30865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3635
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03326	0.3
59.01240	0.3
65.44635	0.2
70.24703	0.4
70.25118	0.3
71.04887	2.1
86.81024	0.1
98.63923	0.2
128.78287	0.2
142.32430	0.2
156.83098	0.1
172.81502	0.2
201.21953	0.2
214.27351	0.1
369.08524	0.2
406.31287	0.2
409.34753	1.0
411.32629	1.2
413.34198	6.0
414.34583	0.8
414.50195	0.2
429.37305	0.3
455.34903	0.2
457.33136	0.2
473.36365	100.0
474.36725	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57765	0.4
59.01239	2.3
60.83443	0.4
69.31923	0.8
71.01251	0.6
78.95773	35.2
83.04894	0.4
96.96827	0.8
116.41007	0.4
121.99975	1.2
130.58151	0.4
140.01083	7.4
152.99487	3.8
166.02650	0.4
171.00502	1.7
175.52623	0.4
196.03725	14.3
197.04068	0.5
211.26291	0.4
212.77332	0.4
214.04829	2.7
233.22667	0.5
277.21710	100.0
278.22046	10.5
305.04468	2.5
311.79630	0.4
337.21667	0.6
345.04010	0.8
346.04776	1.3
466.05505	0.4
474.01483	0.5
474.26257	31.8
474.32468	1.2
475.14059	2.7
475.26260	4.0
475.32919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50716	0.7
51.89612	0.6
57.03318	2.0
59.01250	92.8
60.01587	1.5
61.98692	1.6
64.03271	0.6
71.01246	3.9
73.02834	1.2
75.00770	0.9
76.31328	0.8
81.06964	0.7
82.35010	0.6
85.02843	1.9
89.02326	3.0
95.01206	0.8
98.19811	1.2
99.00810	0.7
99.04401	1.5
101.02326	3.1
113.02366	3.1
114.12515	0.8
119.03413	2.1
119.08575	0.7
120.15510	0.6
123.04304	0.9
131.03326	0.6
134.91032	0.6
137.09622	10.5
161.04443	1.8
163.72394	0.6
168.01013	0.6
189.16391	2.9
251.16508	100.0
251.76118	0.7
252.16801	7.8
255.10646	0.7
265.18121	0.8
275.16397	1.4
305.17630	1.1
341.19705	2.1
345.03983	0.9
349.42386	0.6
445.01868	0.9
456.01254	0.8
473.01477	17.7
473.26300	0.8
473.32697	3.6
474.01938	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	473.3271
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.83472	0.2
57.03325	1.2
57.22988	0.2
59.01227	0.3
69.03323	0.8
71.31673	0.4
73.43261	0.2
93.03355	0.4
137.02272	0.2
139.43619	0.2
161.02164	0.2
163.71819	0.2
241.04839	0.3
241.65738	0.2
251.07074	0.2
256.07394	0.3
281.08246	0.4
290.57632	0.3
307.06192	0.5
308.06827	0.6
335.05615	0.4
336.06332	1.8
337.06555	0.3
353.95187	0.2
357.27603	0.3
369.28259	0.4
373.04135	0.2
381.27911	0.3
429.33682	3.6
430.34293	0.5
456.01126	0.2
473.02054	1.4
473.32632	100.0
474.02048	0.4
474.33005	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03322	1.9
58.00457	1.1
59.01251	100.0
61.69508	1.1
61.98686	1.6
62.32707	1.1
69.03326	1.1
69.33327	3.9
69.33747	6.1
71.01253	52.9
72.99184	2.8
73.02815	9.6
75.00735	2.4
80.96406	1.2
83.01255	5.2
85.02817	15.5
87.00757	4.9
87.04402	2.0
89.02314	29.5
93.03368	2.1
95.01273	3.6
96.35611	1.1
96.95910	1.9
97.02808	1.9
99.00765	5.1
101.02319	35.5
103.03908	2.6
109.02820	2.4
113.01622	2.1
113.02330	20.7
114.02645	1.4
115.32143	1.4
119.03391	11.6
121.02815	1.3
125.02293	3.0
131.03403	1.4
135.04398	2.4
137.02350	2.0
143.03409	4.8
145.02852	1.5
159.02899	3.7
159.05640	1.1
161.02365	2.6
161.04469	31.5
162.04785	1.2
163.11154	2.5
168.00555	1.8
169.01350	2.2
173.04443	2.3
177.01813	1.8
179.03368	1.2
179.05511	7.4
191.03398	1.3
191.05486	1.4
206.43394	1.3
229.01187	1.3
229.04962	2.3
251.16483	11.0
279.02829	1.8
310.04678	3.7
311.05588	5.2
413.21808	46.2
414.22107	4.5
470.08179	1.3
472.66565	2.6
473.22046	1.6
474.10886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
58.00480	0.5
59.01249	100.0
60.01591	0.8
61.98709	2.8
71.01247	8.2
72.99181	0.9
73.02824	1.4
75.00752	0.9
83.01269	1.1
85.02829	3.2
87.04390	0.4
89.02320	5.0
93.03370	0.6
95.01247	0.4
97.06451	0.6
98.20556	1.0
99.00768	1.2
101.02309	5.1
109.02875	0.9
113.02333	4.1
117.05459	1.0
119.03406	2.2
119.27193	0.4
121.02783	0.4
125.02337	1.1
127.07568	0.4
131.07048	1.6
131.09724	0.4
135.04459	1.3
135.08073	0.4
136.34856	0.3
137.02345	0.5
138.03059	0.4
143.03340	0.6
147.04385	0.5
149.40338	0.4
153.09120	1.4
161.02406	0.5
161.04443	2.7
163.06067	0.6
165.09109	1.6
174.03189	0.8
175.03976	0.8
176.39516	0.4
179.10666	0.7
187.03880	1.0
199.03984	0.6
200.04678	1.5
200.06526	0.4
211.03870	0.8
216.06540	0.5
221.06400	0.7
234.05490	0.6
239.07040	0.8
250.08679	1.1
251.16498	83.1
252.16843	7.0
265.18100	1.3
267.16125	0.5
268.09659	3.2
269.08243	1.1
281.30347	0.4
293.12518	1.5
293.17596	1.2
296.09277	0.5
299.02454	0.4
312.08746	4.5
325.11597	0.6
413.21695	2.6
429.21085	1.5
439.13278	0.4
456.01172	0.5
473.01450	2.3
473.19748	0.9
474.02338	0.6
474.14078	0.9
475.17239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.4
57.03328	1.2
58.00445	1.8
59.01250	54.8
62.48110	1.3
69.03306	2.3
69.83875	3.2
69.84268	3.3
70.33513	1.1
71.01253	42.1
72.99174	5.6
73.02805	5.2
83.01241	4.6
85.02820	7.4
87.00745	5.3
89.02316	40.6
91.01723	1.6
93.03349	2.4
95.01263	1.6
97.02818	3.9
99.00776	1.8
100.29174	1.5
101.02319	13.7
105.05415	2.2
108.02060	2.5
109.02837	2.2
113.02322	10.1
115.13194	1.4
117.67583	1.5
119.01279	4.6
119.03400	4.0
119.04912	88.7
120.05228	4.1
121.02811	3.9
125.02329	19.5
131.03377	6.8
133.02876	1.5
134.03616	11.6
135.02859	2.2
135.04416	6.4
137.02336	3.5
138.01868	18.6
143.03354	3.3
147.00751	4.2
147.04382	2.9
149.02380	11.8
149.04425	11.4
149.06003	2.3
151.07733	1.3
152.01083	1.7
160.01558	9.5
161.00584	2.0
161.02332	2.5
161.04474	4.4
162.03078	1.5
163.04016	2.3
164.04697	13.1
169.01363	2.1
175.00272	37.4
175.03900	11.5
176.00661	1.7
177.01840	4.1
179.05585	1.8
189.01825	2.7
190.02631	84.0
190.79674	1.7
191.03069	4.4
193.04985	14.3
198.07388	1.3
205.04991	98.8
206.05376	6.2
220.03590	1.4
223.06059	27.0
235.06073	3.0
256.48337	1.4
293.04309	1.5
293.05423	1.8
293.08762	19.7
294.09055	1.9
295.08237	1.7
300.99765	2.1
349.07080	1.6
409.15570	1.7
441.02203	1.5
454.11758	1.4
458.14447	3.3
473.16620	100.0
474.11526	1.7
474.17093	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24691	0.5
57.03311	0.5
59.01250	10.0
71.01253	8.2
72.99171	0.8
73.02828	1.4
75.00751	0.6
79.32156	0.5
79.95615	1.5
80.96405	1.3
81.03344	0.5
83.01248	0.5
85.02827	2.9
87.00743	2.3
88.98681	1.8
89.02312	6.0
93.03316	0.7
95.01270	0.7
96.95877	1.3
98.19836	1.2
99.00779	0.9
101.02317	4.7
101.86279	0.5
103.03897	0.7
109.02821	0.8
113.02358	2.9
117.03359	2.4
117.05412	0.6
117.61980	0.5
119.03399	2.3
119.04957	0.7
121.02817	0.6
123.04362	0.6
125.02325	0.8
129.30290	0.5
132.02063	13.0
133.02869	1.3
134.03638	34.3
135.04347	1.6
135.06522	4.0
137.02354	1.5
138.06664	0.5
143.16779	0.5
147.04449	0.9
149.02351	1.8
149.06021	5.0
150.03122	3.4
151.03952	0.7
159.04422	0.8
160.01573	75.0
161.01918	4.0
161.04446	0.7
164.04671	1.5
165.01828	0.6
165.05490	6.9
166.99872	0.6
169.01430	0.7
175.03928	100.0
176.04311	5.5
177.01868	0.6
178.02655	1.5
179.03455	1.3
180.04089	0.7
182.02196	0.7
190.02708	1.6
191.03374	1.2
191.07094	3.7
193.04996	43.3
194.05295	2.5
195.06519	2.4
197.04469	1.0
205.04967	1.9
207.06601	1.5
220.06622	0.6
221.08275	1.0
223.06027	1.7
229.32571	0.8
235.06075	8.8
236.06383	0.6
245.01180	4.8
246.01308	0.6
265.07162	2.4
267.07153	3.3
270.98877	1.2
271.99228	2.2
274.99765	0.6
275.02237	3.2
295.08295	1.9
298.98328	1.5
299.01831	0.7
299.98828	4.6
300.99661	4.6
302.00162	1.4
311.34595	0.6
314.00140	0.9
329.99670	0.9
336.39474	0.5
337.09268	1.5
339.00052	0.7
340.00641	1.5
355.10483	0.5
433.03748	3.7
473.07486	3.0
473.16660	71.7
474.07797	0.7
474.17010	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	473.1088
Annotation	Isovitexin 6''-O-acetyl
Peak:m/z	Relative Intensity
57.03336	0.5
59.01247	10.5
65.00206	0.7
66.04848	0.3
67.01749	1.0
68.99701	0.4
69.03327	8.0
69.48688	2.6
71.01253	6.1
72.99176	0.8
73.02821	1.0
75.00753	0.6
79.01785	0.6
81.03362	0.6
83.01272	1.4
85.02821	1.6
87.00747	0.8
89.02317	1.7
90.02144	0.3
95.01260	1.6
97.02829	2.3
98.19783	0.4
99.00761	2.4
101.02287	2.0
107.01260	6.8
109.02835	0.8
110.00004	0.7
111.00760	4.5
113.02324	2.0
114.60281	0.3
117.03379	0.4
119.04914	1.0
121.02838	0.7
123.00763	9.6
123.04411	0.9
124.01561	1.6
125.02332	41.3
126.02688	1.3
127.00252	1.7
133.02846	0.5
134.03595	0.4
135.04483	1.9
136.98717	2.8
137.02330	0.7
139.00262	5.5
140.01059	6.8
141.01805	1.5
145.02861	5.9
146.03220	0.5
147.00822	0.4
149.02328	0.7
151.00272	6.0
151.03865	0.6
153.01826	0.6
153.06760	0.4
154.99750	0.9
158.03636	24.1
159.04425	21.8
159.05533	0.2
160.04762	1.0
161.02357	1.7
161.04460	0.7
163.03915	0.4
165.01776	0.6
166.99757	0.4
167.03470	0.6
168.00551	9.6
169.01331	58.2
170.01694	1.9
171.04431	0.6
173.02377	3.4
173.05942	0.7
175.03984	0.5
177.01851	0.5
179.03435	1.3
181.04967	0.5
183.04410	0.4
184.05225	0.7
185.00801	4.1
191.03438	0.9
191.05403	0.5
193.01421	0.5
193.04919	0.5
201.05513	1.5
211.02409	6.8
213.05533	1.7
221.04573	0.4
223.02289	0.6
227.12895	1.1
241.03523	3.5
271.04648	4.7
287.14957	5.2
288.15109	0.4
293.04840	0.4
297.06107	4.4
298.06754	0.6
299.01898	0.4
299.98978	0.4
300.02420	0.6
300.99741	0.5
301.05606	1.3
307.08072	0.4
307.44250	0.4
313.05627	13.1
314.06067	0.9
392.99878	0.5
413.21762	0.6
473.10843	100.0
474.11176	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
96.32407	0.3
109.83189	0.3
116.03560	0.3
188.29271	0.3
228.07739	0.3
229.68312	0.3
239.61610	0.3
274.18466	0.3
286.68777	0.3
407.33002	0.4
453.34055	0.6
471.34766	100.0
472.35153	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	471.3478
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.15496	0.2
53.89490	0.2
61.79994	0.2
64.60792	0.2
71.41423	0.2
71.41789	0.5
73.63648	0.2
78.54898	0.2
81.50419	0.2
93.30209	0.2
141.59045	0.2
471.34781	100.0
472.35110	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52110	0.3
57.03313	0.3
59.01250	7.0
61.98695	0.7
65.00213	0.3
71.01241	1.4
71.51559	0.3
73.02821	0.5
75.00748	0.3
85.02823	1.0
89.02323	0.5
99.04395	0.5
101.02311	0.9
103.79709	0.3
109.02758	0.3
113.02323	0.5
119.04900	0.4
125.02369	0.4
135.04384	0.8
137.05969	1.2
157.02950	0.3
160.01559	0.3
161.02359	0.5
161.04468	0.7
164.88414	0.2
173.02383	0.3
181.04965	4.5
189.07175	0.3
206.08020	0.3
213.01819	0.6
217.06473	0.5
230.99379	0.5
233.06018	1.0
242.99199	0.4
244.00166	0.3
245.06007	1.8
249.05423	0.6
251.07268	0.3
251.16515	3.8
259.04013	0.5
260.04703	0.6
261.05524	3.5
262.06177	0.3
270.98795	0.7
271.03922	0.7
272.04712	0.8
273.05472	2.1
276.04211	0.5
277.05045	1.0
283.99811	0.4
285.05518	0.4
287.03543	0.9
288.04340	0.8
289.05057	4.0
290.05304	0.3
298.98413	0.4
299.03586	0.9
299.99005	1.1
300.04245	0.9
301.05026	2.5
302.05304	0.3
305.04562	1.0
311.03665	0.3
313.04977	0.4
315.02924	0.9
316.03757	1.4
317.04495	4.6
324.99783	0.7
325.45541	0.3
327.03079	0.9
328.03815	0.6
329.04495	1.9
331.02554	0.4
332.03226	0.7
333.04031	1.1
343.02396	0.8
344.03195	1.4
345.04025	5.4
346.04398	0.7
355.02405	0.6
356.02951	0.4
357.04022	1.2
360.02527	0.4
361.03384	2.5
363.04929	0.4
371.02042	1.3
372.02728	1.3
373.03464	4.3
374.03894	0.4
383.01956	0.7
384.02725	0.3
385.03622	0.5
388.02609	0.3
389.03094	2.7
397.51160	0.3
398.45752	0.4
399.01389	1.2
400.02338	1.0
401.03015	5.1
402.03354	0.7
405.90018	0.3
411.18463	0.3
413.21561	0.8
416.01721	0.5
417.02463	4.4
427.00967	1.5
428.01416	0.7
429.02512	3.3
445.01947	6.7
446.02280	1.1
455.00311	4.3
456.01120	5.2
457.01544	0.8
472.01035	0.3
473.01468	100.0
474.01852	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	473.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.2
64.16666	0.7
69.54340	6.1
71.01250	7.3
72.99153	1.6
73.02818	1.7
75.00735	2.1
79.95608	24.1
80.96387	11.6
85.02810	3.6
87.00745	7.0
89.02279	2.3
93.03331	2.7
95.01279	0.9
96.95892	8.7
101.02292	3.7
105.01806	3.4
105.03355	1.3
108.02049	2.1
109.02817	2.5
113.02297	3.0
117.03374	1.8
117.05465	1.8
119.04888	0.8
121.02856	6.2
122.03630	7.1
123.00770	4.3
123.04449	1.3
125.02280	1.6
132.02065	9.8
133.02827	2.9
134.03635	18.8
135.04364	1.0
135.06566	1.2
137.02338	2.2
138.03102	3.4
145.02843	1.5
147.04398	1.4
149.02353	16.7
149.05971	2.7
150.03130	64.5
151.03600	3.0
152.01065	1.7
153.05447	5.7
159.04427	1.2
160.01575	46.1
161.02113	1.9
162.03111	2.3
164.04710	6.7
165.05486	100.0
166.05846	4.1
166.99796	5.0
169.01314	1.2
173.04446	1.0
175.03925	59.6
176.04367	3.8
177.01836	1.3
177.05466	3.8
179.07098	1.2
180.04221	6.1
181.04811	0.8
182.02124	20.2
183.02629	1.8
190.02620	1.3
191.03387	1.7
191.07106	1.9
193.04994	25.8
195.06569	32.9
196.06905	2.3
197.02644	1.5
197.04482	30.3
198.04713	1.2
203.00073	3.8
205.04958	1.0
211.03860	2.8
223.05975	3.3
235.06007	3.7
237.06023	1.7
238.02759	1.6
239.03355	3.1
244.00345	1.0
245.01219	52.7
246.01587	2.3
259.02728	3.3
265.07123	1.9
267.07193	14.0
275.02325	25.7
276.02707	1.3
286.08511	1.4
299.99112	1.7
300.99896	10.8
311.02014	1.7
345.09814	2.1
379.61523	1.0
393.11957	9.4
473.07431	97.9
473.16455	38.3
474.07858	11.6
474.16644	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03481	0.2
55.97065	0.2
58.00469	0.2
70.65125	0.4
79.04613	0.2
91.09831	0.2
91.21159	0.2
92.55274	0.2
103.83308	0.2
138.14461	0.2
171.51447	0.2
171.75961	0.2
255.74556	0.2
393.12180	0.2
393.31506	0.4
423.32739	0.8
439.31665	0.2
471.34766	100.0
472.35129	17.5
472.42249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Hispidone
Peak:m/z	Relative Intensity
55.23914	0.3
56.61777	0.3
57.03323	0.3
58.00463	1.1
60.99173	1.5
65.44046	0.3
69.03293	0.3
69.08659	0.3
71.04896	0.5
71.43140	0.3
76.73444	0.3
78.14320	0.4
83.04906	0.9
97.06477	0.8
186.38499	0.4
192.81790	0.4
373.27304	0.4
391.30212	0.9
397.31174	0.4
405.31595	0.6
407.33209	11.8
408.33517	1.8
409.31055	1.2
411.32755	2.8
412.32928	0.4
423.29117	1.4
424.29541	0.4
425.34650	1.8
427.36270	1.5
428.36057	0.4
439.32132	3.2
440.32346	0.5
441.34003	0.6
451.32016	1.7
453.33807	4.5
454.34375	0.6
469.33124	7.0
470.33771	1.3
471.34848	100.0
472.35208	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69734	0.2
64.09976	0.2
70.88255	0.5
73.59162	0.2
74.85634	0.2
102.11663	0.2
127.28392	0.2
183.64268	0.2
253.86659	0.2
423.32687	0.2
471.34750	100.0
472.35104	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	471.3479
Annotation	3beta,22alpha-Dihydroxyolean-12-en-30-oic acid
Peak:m/z	Relative Intensity
59.01259	2.0
60.99178	16.4
61.98729	0.8
69.03326	13.0
70.27798	3.4
71.04889	2.9
71.34248	0.8
76.35502	0.9
76.98658	0.9
80.02544	1.9
109.72477	1.0
137.09583	2.4
148.65604	0.8
149.09639	1.7
150.82643	0.9
203.05171	0.9
251.52684	0.8
359.29288	1.1
375.26923	3.6
377.28427	2.9
391.30093	14.5
392.30573	2.1
393.31497	1.5
399.29285	1.3
403.29044	1.0
405.31381	1.2
407.33170	94.6
408.33533	15.4
409.34814	9.1
410.35239	1.7
411.32663	1.7
421.31027	1.5
423.32678	3.9
427.35968	7.4
437.30667	2.0
439.32047	2.9
441.34122	4.8
451.32422	1.3
453.33890	20.2
454.34055	4.3
469.33038	3.3
471.35367	100.0
472.35852	15.1
485.32724	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	471.3476
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
56.25592	0.4
60.99166	1.0
74.95244	0.4
81.68444	0.4
86.52542	0.3
89.42727	0.3
93.88182	0.3
98.20664	0.7
135.34219	0.4
213.30484	0.3
233.81152	0.4
425.34149	1.1
453.33716	1.5
471.34772	100.0
472.35110	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27220	0.4
62.90234	0.3
64.53150	0.4
70.82852	0.8
71.04881	0.7
97.06470	3.9
137.09647	0.6
374.25949	0.5
389.28424	1.3
391.30038	4.4
392.30161	1.0
405.31705	4.0
406.31985	0.6
407.33209	7.9
408.33545	1.8
411.32611	2.7
413.90683	0.5
423.29126	1.5
427.35162	0.7
441.33530	1.6
447.18829	0.4
451.32095	10.0
452.32419	1.4
453.33737	38.3
454.34070	7.0
471.34747	100.0
472.35129	16.6
472.40356	0.4
473.96796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35506	0.2
71.28216	0.5
78.08437	0.2
102.86169	0.2
140.16467	0.2
153.58006	0.2
153.59337	0.2
393.31479	0.6
411.08408	0.3
459.16071	0.2
471.34760	100.0
472.35114	15.2
472.45435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
69.79535	1.3
82.72970	0.2
85.84719	0.2
127.84457	0.3
158.79025	0.2
335.01495	0.3
400.95529	0.3
405.31503	0.7
423.32745	0.7
453.33835	0.3
471.34750	100.0
472.35101	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	471.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.1
59.00996	1.2
59.01251	14.8
61.98693	2.7
62.41767	0.9
62.49258	0.9
65.06647	0.9
69.03337	1.1
69.30331	7.2
71.01242	5.6
73.02790	2.1
75.00747	1.1
81.03317	4.2
83.01250	5.5
85.02811	4.0
85.87141	1.0
89.02337	2.2
93.03304	4.8
95.04893	3.8
97.02821	4.3
101.02313	2.9
101.14178	1.0
105.11510	1.0
109.02827	25.9
111.00728	1.6
113.02316	1.5
117.03341	6.1
119.04063	1.9
119.04910	32.0
120.99527	2.6
121.02867	4.7
123.04394	12.8
124.04778	1.1
125.02327	73.7
126.02657	2.3
135.04379	4.1
137.02332	44.4
138.02725	0.9
139.03900	6.1
145.02846	38.8
146.03511	2.9
146.68509	0.8
147.04410	2.7
149.02345	7.5
150.03027	3.1
151.03906	11.9
151.99324	1.1
155.10674	6.7
158.03682	1.3
159.04408	8.8
160.05197	1.4
161.02289	5.0
161.04680	1.4
161.05952	8.3
162.03111	3.1
163.03915	18.0
163.07532	1.5
164.01076	1.6
164.04286	1.2
165.01854	6.7
167.03401	2.6
168.74942	1.0
174.03123	1.4
175.03984	5.9
175.07536	2.8
179.03352	6.6
183.04272	1.3
185.06001	5.6
186.06541	1.2
187.03915	9.9
188.04651	3.5
189.01834	9.7
190.02507	1.7
199.08011	1.2
199.09595	5.8
201.05487	3.3
202.06145	1.0
203.03394	1.7
203.07069	18.8
204.07364	1.8
205.04941	5.5
209.05942	1.6
211.04004	1.5
221.08086	2.2
227.07053	6.2
229.04961	1.7
230.02136	1.1
231.03059	1.3
239.69313	1.1
243.04793	4.2
245.08145	21.0
249.14920	6.8
253.05016	7.5
271.06088	30.1
271.09314	1.4
272.06409	2.5
289.07150	100.0
290.07550	6.5
299.98889	1.4
300.99695	1.0
307.08182	11.1
308.03186	4.7
309.04041	4.8
309.17047	2.3
321.13492	1.3
324.02429	1.5
348.53522	0.9
409.16241	1.3
427.17490	3.2
435.11102	1.1
471.12469	2.8
471.35327	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	4.8
59.01248	39.6
59.80053	1.5
64.31905	1.7
70.33106	1.6
71.01250	21.7
71.24894	1.5
72.99168	2.8
73.02798	3.2
75.00718	3.8
75.28698	1.9
76.71975	1.5
79.95567	2.8
85.02824	27.1
87.00700	2.4
87.43314	1.7
89.01859	1.8
89.02312	18.6
93.03327	3.1
95.01212	2.9
96.95844	6.7
98.20602	2.7
101.02315	9.4
103.03223	2.9
103.03881	37.4
104.04186	1.7
109.02821	4.1
113.02327	8.9
117.03252	2.0
119.03304	7.4
119.04859	5.7
121.02819	4.4
123.04343	2.4
125.02275	7.7
134.03587	2.6
135.02774	1.8
135.04367	3.0
137.02296	3.9
139.03828	2.5
142.10997	1.8
145.02777	4.2
147.04353	3.2
149.01260	2.0
149.02347	30.2
152.00900	2.2
153.01726	1.7
161.02255	1.8
161.04395	1.7
163.03932	9.5
163.11441	1.8
164.04713	25.4
165.05240	2.2
167.02048	1.6
168.00549	2.3
169.01225	5.8
173.04428	1.8
175.00296	8.6
175.03821	3.6
176.00923	3.5
177.01768	2.9
179.03406	1.7
179.05490	1.8
179.06963	4.5
187.03824	2.6
189.01773	1.9
190.01057	2.6
190.02638	30.2
191.03267	9.8
193.01193	3.4
193.04808	1.7
204.04121	1.9
205.04984	32.4
206.05737	10.5
207.02890	3.6
208.03548	4.8
221.08110	10.6
223.06056	35.2
237.07460	3.9
250.04697	4.1
265.06912	21.5
265.09109	100.0
266.09415	5.8
295.08020	3.9
308.06625	2.4
309.07581	2.9
309.43701	2.0
325.09021	7.7
367.10318	2.0
373.33704	1.8
383.18420	2.1
471.14679	62.6
471.34268	6.0
472.15186	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.4
58.57124	0.3
59.00958	0.4
59.01248	6.9
61.98693	0.4
68.10497	0.3
69.03327	0.5
71.01251	7.7
71.50196	0.6
72.99187	0.4
73.02814	2.2
75.00746	0.4
79.95610	2.1
81.03352	0.3
83.02360	0.9
85.02811	1.4
87.00745	0.9
89.02316	7.8
93.03338	0.6
95.01232	0.3
95.95068	0.5
96.95886	9.8
97.02823	0.8
99.00756	3.1
101.02318	3.2
108.02026	0.4
109.02814	0.5
111.00742	0.3
113.02301	1.6
115.00248	0.4
115.03910	0.6
117.03297	0.3
117.98906	0.3
119.03403	0.4
121.02828	0.3
124.01556	0.3
125.02316	1.7
131.03387	1.6
133.02798	0.4
133.04964	2.1
134.03645	1.1
135.02864	0.4
135.04428	0.7
147.04477	0.3
149.04475	2.8
149.05989	5.9
158.03693	0.4
159.04427	100.0
160.01569	1.4
160.04738	5.4
161.02328	1.2
161.04439	0.4
163.03943	0.4
165.05383	0.4
167.00124	0.6
169.01384	0.9
175.03961	2.6
177.05499	4.7
177.06927	0.5
179.03461	0.3
179.07056	0.3
191.03677	0.3
191.05496	1.0
193.04974	2.3
204.61844	0.3
209.04489	0.5
233.06638	1.2
270.98868	1.6
293.08887	0.9
295.10431	0.5
298.98288	1.8
299.99069	2.3
300.99823	1.3
309.11942	1.2
312.99744	0.6
339.00000	0.6
339.10797	6.9
340.11212	0.7
355.10452	0.7
397.11563	0.5
422.22986	0.3
427.12057	0.4
432.03186	2.3
438.09799	0.7
471.09885	1.1
471.15134	17.6
471.34140	1.5
472.05200	0.6
472.15768	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	471.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77860	0.3
58.00454	0.5
59.01249	5.8
61.98735	0.4
71.01250	8.5
71.50903	0.5
72.99177	0.5
73.02805	2.4
75.00757	0.4
79.91404	0.4
79.95603	3.7
81.48302	0.3
83.01256	0.6
83.02374	1.8
84.00806	0.8
84.01931	0.3
85.02827	1.8
87.00748	1.0
87.04383	0.3
89.02311	8.3
93.03313	0.4
95.57349	0.3
96.95884	14.3
97.02802	0.8
98.95503	0.5
99.00754	3.2
100.64442	0.3
101.02313	4.2
108.02030	0.6
109.02831	0.9
113.02312	1.6
115.00254	0.4
115.03927	0.5
119.03380	0.6
125.02331	3.3
131.03418	1.8
131.04904	0.4
133.04948	2.6
134.03613	1.2
135.02928	0.8
135.04398	0.8
143.03368	0.7
149.02359	0.4
149.04477	2.6
149.05980	8.9
151.03928	0.4
158.03613	0.8
159.04417	100.0
160.01599	1.7
160.04744	5.5
161.02379	1.6
161.04465	0.9
162.03226	0.3
165.05476	0.7
169.01402	0.6
175.03932	3.4
177.01762	0.5
177.05473	4.6
178.05745	0.4
179.03456	0.4
190.02632	0.5
191.03612	0.4
191.05519	1.6
193.04980	4.2
203.67863	0.4
233.06682	1.0
235.06140	0.4
270.98911	1.3
293.08746	0.9
295.10330	1.7
298.98407	2.1
299.99136	1.9
300.99799	1.0
309.11893	1.8
312.99841	0.6
325.88327	0.4
337.09457	0.8
339.00244	0.6
339.10822	7.5
340.01056	0.4
340.11191	0.5
340.31631	0.3
355.10443	1.0
397.11554	0.5
411.12567	0.4
427.12128	0.5
432.03262	2.9
438.09818	1.8
466.91595	0.3
471.09756	1.7
471.15146	20.6
472.04892	0.7
472.10745	0.4
472.15598	2.7
480.19467	0.4
491.67090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
59.01250	52.8
61.98692	6.5
65.77356	0.9
69.03323	0.9
69.32953	6.5
71.01250	9.5
72.99193	1.4
73.02821	2.6
75.00747	2.9
79.95620	1.4
83.01254	2.1
85.02825	2.7
87.00761	0.8
89.02315	4.7
93.03328	1.8
95.01283	1.0
96.95881	9.2
97.02862	0.8
101.02322	6.6
108.02023	1.1
109.02836	2.3
111.00779	0.8
113.02328	3.6
114.02655	0.7
117.02509	0.4
117.03336	18.5
119.04914	100.0
120.05236	4.4
121.02866	1.4
122.97507	0.8
123.04407	1.3
125.02331	6.2
131.03415	1.0
133.02814	1.3
134.03688	1.8
135.04422	3.2
137.02338	2.3
145.02853	69.6
146.03235	2.3
147.04405	1.9
147.65842	0.6
149.02299	1.5
149.05966	0.9
151.00320	0.9
151.03918	1.0
152.01036	0.9
153.01929	1.1
159.04440	1.1
160.01559	1.0
161.02338	2.6
161.04445	1.7
161.05991	1.7
161.08234	0.7
161.09639	0.7
163.03915	95.6
164.04260	5.4
167.03487	0.9
168.00639	1.1
169.01350	5.6
173.04437	1.3
175.00314	1.7
175.03915	2.2
176.96855	0.8
177.01889	0.9
177.03972	0.8
177.05478	0.8
179.03494	1.1
181.05049	1.3
187.03883	1.2
189.01866	0.9
190.02625	3.5
191.03320	1.0
191.05440	0.9
193.04912	1.1
195.06635	0.9
196.07440	1.5
199.86287	0.8
203.03537	0.6
205.04980	6.3
209.18497	0.6
219.06581	1.7
221.71046	0.6
223.06068	1.3
249.14882	0.8
259.02866	1.4
265.14468	0.7
275.02087	1.8
277.16653	1.0
278.16876	1.5
279.17178	1.0
291.02914	0.9
300.99881	1.1
306.05292	0.9
307.08234	34.7
308.03244	5.5
308.08801	1.7
309.04037	2.4
309.07645	1.3
349.70444	0.8
353.61188	0.6
427.06799	1.5
471.13525	20.5
471.19037	6.4
471.34698	4.4
472.13330	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84650	0.2
55.01752	0.4
57.03310	0.3
59.01249	7.3
61.98680	0.3
69.55235	0.3
69.55640	1.3
71.01250	6.2
72.99164	0.6
73.02818	1.5
75.00746	0.4
79.77692	0.2
79.95610	0.4
81.03316	0.3
83.01255	1.0
85.02827	2.5
86.02347	0.2
87.00734	0.7
89.02310	4.9
95.01260	0.5
96.95895	1.6
97.02827	0.5
98.20517	0.4
99.00761	1.5
101.02326	4.9
108.02060	0.3
109.02840	0.8
113.02323	2.1
115.00218	0.3
116.92674	0.2
119.03362	0.6
123.00739	0.3
125.02305	1.2
129.01935	0.2
131.03392	5.0
133.04964	0.3
133.06450	0.3
135.02777	0.3
135.04388	0.7
137.02394	0.4
143.03387	0.8
147.04420	0.4
149.04446	1.3
149.05971	0.9
152.01057	0.4
153.01784	0.2
158.03639	0.6
159.04419	100.0
160.04755	5.0
160.06102	0.3
161.02382	0.5
161.04440	1.6
165.01936	0.3
165.05417	0.4
169.01283	0.5
173.04491	0.3
175.03865	1.6
177.05479	9.4
178.05870	0.5
179.03470	0.3
179.07054	0.3
191.05507	1.6
193.05029	0.5
199.03961	0.2
217.04970	0.3
233.06639	0.3
279.14484	5.0
280.14734	0.3
293.04883	0.3
293.08917	0.3
299.99139	0.5
301.99841	0.2
308.06708	0.2
309.07858	1.1
339.10825	18.1
340.11176	1.6
355.10504	0.3
411.18542	1.0
443.39935	0.2
471.08942	0.5
471.15207	8.1
471.34625	1.2
472.15619	1.4
485.12125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88966	0.2
59.01233	1.4
61.98702	0.5
69.57205	1.5
71.01252	1.0
72.99180	0.3
75.00777	0.4
79.95604	22.5
80.96368	0.3
83.01249	0.3
85.02808	0.7
87.04384	0.3
89.02318	0.6
95.01282	0.3
95.95096	2.9
96.95885	100.0
97.02795	0.3
97.95786	0.3
98.20580	0.2
98.57322	0.2
98.95470	0.5
99.00736	0.5
101.02309	0.7
108.02052	0.3
109.02831	0.5
110.43217	0.2
110.97452	1.1
113.02354	0.3
123.04438	0.3
124.01524	0.3
124.95362	0.4
125.02328	1.4
132.02037	0.3
132.74609	0.3
133.02811	0.3
134.03645	0.7
135.04417	0.7
136.99022	0.9
139.00298	0.3
141.95708	2.1
147.04381	0.3
149.02328	0.4
150.03134	0.7
151.03833	0.3
154.00604	0.2
154.02603	0.3
159.03168	0.5
159.04419	6.0
159.05742	0.4
160.01524	1.8
161.02286	1.0
163.26146	0.3
165.05450	0.7
167.00104	4.5
175.03883	2.0
177.05429	0.3
187.03899	0.3
191.05484	0.2
193.04973	0.8
195.06541	0.4
213.05408	0.3
235.06050	0.7
239.07082	0.5
240.07822	0.4
251.07181	0.3
252.07805	0.3
255.10126	0.4
259.02658	0.7
265.07300	0.3
267.06616	0.5
267.10229	0.3
270.08875	0.8
271.09641	0.3
275.02225	0.3
277.38998	0.3
283.09717	0.3
285.07819	0.4
285.11206	0.5
298.98352	0.6
299.98956	0.4
300.99838	0.4
301.10669	0.3
308.06750	0.4
311.09109	0.3
315.12198	0.3
319.13541	0.3
328.09448	0.4
331.11728	0.5
339.10818	0.4
343.11813	1.0
345.13458	0.3
359.11185	0.3
361.12741	0.3
373.12662	0.4
376.11591	0.7
391.14011	1.9
392.14117	0.3
395.08136	0.3
407.08017	0.9
409.09515	0.3
411.12802	0.9
422.06717	0.5
423.07303	1.3
424.07974	0.5
425.09189	0.4
427.11255	0.4
437.08847	0.8
438.09875	11.9
439.10089	1.0
441.08469	0.3
471.09491	10.8
471.15213	1.6
472.10056	1.1
472.15604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.332
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
58.68857	0.2
62.90799	0.2
64.93686	0.2
85.08875	0.2
117.25618	0.2
135.74953	0.2
160.01620	0.2
163.54425	0.2
164.33331	0.2
169.61079	0.2
175.03845	0.4
229.37683	0.2
235.17125	0.3
393.31454	0.2
423.32590	0.5
439.32156	4.5
440.32419	0.6
469.33188	100.0
470.33536	16.3
470.40439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55067	0.4
54.19703	0.3
54.64326	0.3
56.61945	0.3
59.01247	3.8
61.98693	0.3
69.50378	1.5
69.50782	1.2
71.01252	1.7
72.99175	0.4
74.96960	0.3
83.01277	0.4
85.02820	0.6
85.57700	0.4
87.00783	0.5
89.02332	0.6
93.03307	0.8
95.01257	0.5
96.95872	0.5
101.02306	1.2
111.12031	0.4
113.02322	0.6
113.74438	0.3
117.00142	0.4
119.03430	0.4
121.02818	0.9
125.02308	1.2
135.04413	0.9
137.02383	0.7
137.05972	0.5
147.04367	0.4
149.02365	0.8
149.05934	0.4
151.00313	0.6
160.01569	1.1
161.02292	0.5
161.04480	0.7
163.03915	0.6
164.01074	0.6
164.04691	0.4
169.01366	1.2
175.00266	1.9
175.03932	1.2
176.95036	0.9
177.01846	0.4
190.02640	4.0
195.04443	1.0
196.05157	0.6
205.04976	4.3
206.03650	7.0
206.05487	0.5
208.05257	1.1
209.06036	0.9
214.66701	0.4
219.06548	0.6
223.03860	1.2
223.06020	0.9
224.04733	2.8
225.05470	0.7
228.24329	0.4
234.03168	7.6
235.03915	2.8
236.04762	1.9
237.05426	1.9
244.71257	0.4
247.03900	0.8
251.03439	2.3
252.04153	2.2
262.02682	14.5
263.03360	5.2
264.04193	1.6
265.04803	0.6
271.05972	0.8
279.03027	3.5
280.03662	5.3
281.04193	0.5
290.02209	1.5
290.99799	0.7
291.02982	9.4
292.03528	1.7
299.98981	1.4
300.99826	1.1
307.02429	1.9
307.05597	0.5
308.03247	100.0
309.03934	37.0
310.04355	2.8
319.02417	0.8
321.04156	0.4
363.76587	0.5
471.09277	93.4
471.18698	3.4
471.34885	1.1
472.09637	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	471.0932
Annotation	CHEBI:70256
Peak:m/z	Relative Intensity
53.55067	0.4
54.19703	0.3
54.64326	0.3
56.61945	0.3
59.01247	3.8
61.98693	0.3
69.50378	1.5
69.50782	1.2
71.01252	1.7
72.99175	0.4
74.96960	0.3
83.01277	0.4
85.02820	0.6
85.57700	0.4
87.00783	0.5
89.02332	0.6
93.03307	0.8
95.01257	0.5
96.95872	0.5
101.02306	1.2
111.12031	0.4
113.02322	0.6
113.74438	0.3
117.00142	0.4
119.03430	0.4
121.02818	0.9
125.02308	1.2
135.04413	0.9
137.02383	0.7
137.05972	0.5
147.04367	0.4
149.02365	0.8
149.05934	0.4
151.00313	0.6
160.01569	1.1
161.02292	0.5
161.04480	0.7
163.03915	0.6
164.01074	0.6
164.04691	0.4
169.01366	1.2
175.00266	1.9
175.03932	1.2
176.95036	0.9
177.01846	0.4
190.02640	4.0
195.04443	1.0
196.05157	0.6
205.04976	4.3
206.03650	7.0
206.05487	0.5
208.05257	1.1
209.06036	0.9
214.66701	0.4
219.06548	0.6
223.03860	1.2
223.06020	0.9
224.04733	2.8
225.05470	0.7
228.24329	0.4
234.03168	7.6
235.03915	2.8
236.04762	1.9
237.05426	1.9
244.71257	0.4
247.03900	0.8
251.03439	2.3
252.04153	2.2
262.02682	14.5
263.03360	5.2
264.04193	1.6
265.04803	0.6
271.05972	0.8
279.03027	3.5
280.03662	5.3
281.04193	0.5
290.02209	1.5
290.99799	0.7
291.02982	9.4
292.03528	1.7
299.98981	1.4
300.99826	1.1
307.02429	1.9
307.05597	0.5
308.03247	100.0
309.03934	37.0
310.04355	2.8
319.02417	0.8
321.04156	0.4
363.76587	0.5
471.09277	93.4
471.18698	3.4
471.34885	1.1
472.09637	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	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17350	0.1
58.00468	1.0
59.01241	0.4
71.01272	0.3
71.04924	0.2
73.02811	0.4
85.06477	0.2
97.06470	1.3
101.05936	0.2
153.09081	0.4
229.87341	0.2
257.19281	0.1
298.98279	0.2
299.99164	0.5
300.99911	0.6
372.24033	0.2
373.25272	0.2
374.26239	0.3
375.26987	0.2
381.27985	0.3
387.30777	0.9
389.28479	3.2
390.28659	0.6
403.30301	0.3
405.32175	0.7
406.28735	4.3
407.29251	1.4
421.31357	2.7
422.31470	0.3
423.32678	8.9
424.33008	1.2
425.01651	0.2
428.25684	0.1
437.30530	0.2
439.28275	1.3
449.30429	0.2
451.32330	0.2
455.31662	0.6
467.31528	1.3
468.32404	0.3
469.33191	100.0
470.33575	14.6
484.95102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99188	0.8
67.66740	0.6
70.87629	1.7
85.62292	0.6
91.43914	0.5
98.87830	0.6
161.36162	0.6
240.91696	0.7
288.74152	0.7
333.92661	0.7
423.32483	0.6
451.32330	0.8
469.33182	100.0
470.33609	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	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93375	3.2
77.68661	0.6
77.69110	0.6
78.57404	0.6
122.54763	0.6
165.70616	0.5
179.69951	0.6
216.19942	0.8
268.33887	0.8
364.86542	0.7
469.33191	100.0
470.33524	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	469.3317
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
69.44095	0.9
69.44516	0.8
70.84424	0.2
71.04880	1.2
79.45339	0.2
93.28344	0.2
95.04831	0.3
145.69994	0.2
145.76802	0.2
194.33397	0.2
314.55267	0.3
405.31656	0.7
454.68768	0.3
469.33185	100.0
470.33490	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	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76011	0.2
54.64257	0.2
59.72974	0.3
60.62278	0.2
70.98687	0.5
76.48374	0.2
83.74583	0.2
113.27780	0.2
281.98575	0.2
392.76169	0.3
405.31226	0.3
469.33200	100.0
470.33566	18.3
470.40436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.332
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
57.61713	0.3
59.01243	0.3
61.09381	0.2
71.50523	0.3
71.50940	0.4
105.59328	0.3
123.00758	0.3
153.70534	0.3
201.80302	0.2
249.16461	0.2
270.99039	0.3
298.98297	0.4
299.99228	1.5
300.99905	1.6
317.79776	0.3
375.26147	0.3
389.28525	0.3
423.33072	0.6
425.01462	0.5
469.33221	100.0
470.33603	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	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64848	0.4
56.13083	0.5
65.00881	0.4
71.07801	1.0
71.08132	0.7
74.00301	0.5
76.82294	0.4
84.03960	0.4
84.23280	0.4
85.71453	0.4
113.64755	0.5
119.37017	0.5
150.31946	0.4
157.43103	0.4
278.04431	0.5
285.96228	0.5
388.88266	0.5
469.33200	100.0
470.33582	19.0
470.40439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.99170	1.1
73.92146	0.5
75.02074	0.6
101.77319	0.6
228.25768	0.6
229.19908	0.8
407.26193	0.6
451.32242	2.1
462.49799	0.6
469.33203	100.0
470.33505	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	469.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
56.36079	1.1
57.03310	3.9
59.01249	87.7
61.98692	5.5
69.98837	4.2
70.60878	1.1
71.01249	30.6
71.81931	1.0
72.99190	3.1
73.02821	11.0
75.00744	1.4
81.76269	1.1
83.01250	6.2
85.02813	19.2
86.00007	1.4
87.00742	1.3
89.02321	6.1
93.03309	1.3
95.01250	3.5
96.95872	3.9
99.00750	5.9
101.02316	40.0
109.02816	1.8
113.02331	13.5
121.79970	1.2
125.02337	2.6
131.03391	41.9
131.07057	1.5
132.02040	1.6
132.03738	1.5
133.02863	3.3
134.03633	4.5
135.02881	3.0
135.04399	3.1
137.02322	2.5
145.02756	1.3
147.04401	1.9
152.01056	1.3
153.01872	1.4
157.07570	1.0
159.02895	3.0
160.01550	7.2
161.02333	10.3
161.04417	11.7
163.03983	1.9
169.01384	1.2
173.04488	2.7
174.03149	1.8
174.97157	3.4
175.03874	12.9
175.05048	1.1
176.04530	1.5
177.01810	1.7
179.03374	1.3
179.05504	1.2
193.04944	2.8
205.05003	1.3
205.12259	2.8
228.00595	1.4
235.06129	2.4
265.05042	1.1
270.98959	1.3
277.16528	100.0
278.16931	7.8
293.12390	5.0
298.98328	2.9
299.99063	7.0
300.99835	8.9
307.06027	2.0
409.20795	22.1
410.21158	2.9
412.77271	1.1
419.95749	1.2
425.01627	3.1
451.16669	1.3
469.00946	1.2
469.10501	5.1
469.17270	6.7
469.33310	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	469.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63463	0.2
60.99173	0.2
61.98698	0.2
68.86943	0.2
71.04886	1.6
71.51123	0.3
72.35461	0.2
78.26367	0.2
92.98175	0.2
97.06474	0.6
113.05938	0.3
129.86913	0.2
134.92216	0.2
190.57993	0.2
191.27228	0.2
257.19022	0.2
270.98865	0.2
298.98410	0.4
299.99200	1.1
300.99817	1.4
302.00513	0.2
321.22299	0.3
351.06445	0.2
387.26535	0.3
389.28506	0.5
407.29324	1.0
423.32660	12.9
424.32986	2.2
425.01480	0.4
439.28079	1.1
448.90125	0.2
455.31564	1.5
469.33191	100.0
470.33542	18.3
473.32779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.2
61.98691	0.8
66.05727	0.6
70.25938	0.9
70.26311	1.4
75.13142	0.6
87.67663	0.7
94.06492	2.7
96.17044	0.7
98.70531	0.6
106.06499	0.7
107.03626	5.6
120.04403	1.0
122.06001	36.9
123.06311	1.7
124.07542	2.4
134.06015	2.2
135.08026	0.8
139.02625	2.3
139.03726	0.7
145.02826	0.6
152.07069	67.1
153.07394	2.1
160.03885	1.3
162.05508	6.0
163.03926	0.7
166.04944	1.0
169.01344	0.7
174.01877	5.3
175.03889	1.0
176.13919	0.7
186.01842	0.7
188.07085	6.1
201.07832	1.2
216.10236	24.3
216.12311	1.4
217.10706	2.5
218.04567	0.9
223.74442	0.6
240.11455	0.7
260.09030	1.0
260.12888	24.7
260.15591	1.4
261.13278	2.2
270.98837	1.5
271.99521	0.7
298.98331	2.8
299.99039	5.3
300.99896	7.1
302.00098	1.1
304.11932	1.3
311.10516	1.3
321.12393	0.9
322.96704	0.7
339.09769	5.0
371.12302	0.7
381.17874	1.0
397.17136	0.7
425.01453	2.2
425.16415	2.8
425.21674	7.8
441.20215	1.1
469.19745	100.0
469.33435	10.2
470.20099	13.4
470.34140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00964	1.9
59.01247	24.7
61.98686	2.8
69.18853	1.9
69.19260	9.5
70.01163	1.2
71.01250	14.9
72.99152	2.0
73.02832	1.3
75.00700	1.2
83.01236	1.4
85.02818	3.4
85.06459	13.4
87.00758	1.2
89.02308	14.0
89.03847	1.2
95.01276	1.3
101.02328	11.5
112.19659	1.0
113.02335	5.6
113.05947	2.0
113.77174	0.9
115.07547	1.4
117.03342	3.4
119.03378	5.1
119.04895	1.1
120.99411	1.0
123.00787	1.0
125.02319	1.6
127.07495	1.2
131.07030	55.5
132.02061	5.9
132.07355	1.8
133.02829	7.1
134.03627	43.8
135.04509	2.4
137.02328	1.9
147.04449	1.8
148.05211	1.7
149.05934	4.6
160.01573	37.5
161.02345	13.3
167.03423	1.2
169.01361	1.3
173.04503	1.3
173.08061	1.5
175.03909	52.0
176.04659	6.9
177.01765	1.6
178.02563	3.3
190.02585	4.0
191.07086	8.6
193.04979	34.8
194.05269	1.5
205.04933	3.2
205.12399	1.2
207.06509	2.3
220.03700	1.5
235.06042	15.8
236.06416	1.2
247.13368	1.1
265.07120	2.9
275.11282	1.2
282.98596	1.2
290.08179	1.0
293.12408	100.0
294.12695	5.3
295.08105	3.1
297.75900	1.1
299.99048	4.0
300.99823	4.9
301.02719	1.1
307.14005	1.0
314.58267	1.0
337.09451	1.6
413.69162	1.2
469.17017	61.2
470.17389	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	469.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71367	0.6
56.19063	0.7
59.01247	10.2
61.98706	1.5
65.00201	0.8
68.71603	0.7
68.99693	0.7
69.24986	3.9
69.25417	3.1
70.42090	0.7
71.01253	9.3
71.04884	1.6
72.99180	1.7
73.02812	2.7
75.00723	2.2
79.95587	0.7
81.03291	0.8
83.01260	2.1
83.04893	1.6
85.02829	5.3
89.02301	3.0
91.00615	0.7
91.01790	0.9
93.03309	3.9
95.01260	1.3
96.95896	3.4
97.02830	0.9
99.00742	1.2
101.02306	5.0
101.05977	1.1
107.04920	1.8
108.02090	0.8
109.02814	2.6
113.02315	3.1
119.01261	7.3
119.03327	0.8
119.04927	4.2
121.02847	5.0
123.04410	1.0
125.02327	2.3
133.02878	1.2
134.03593	2.9
135.02859	2.2
135.04483	4.7
137.02327	2.9
145.02838	0.9
147.00790	9.1
147.04443	1.4
147.06511	2.0
148.01512	0.6
149.02341	12.0
149.03442	1.4
150.03091	1.6
151.00308	1.0
151.03821	1.3
152.01044	2.2
153.01707	0.6
160.01575	1.6
161.02290	2.0
161.04500	0.8
163.03912	7.3
164.04688	10.0
165.01852	2.8
165.05304	0.6
166.99672	0.7
169.04916	1.2
174.03130	1.0
175.00273	40.7
175.03798	4.6
176.00690	2.0
177.01801	2.1
178.02559	1.4
178.99719	0.9
179.03360	1.4
179.07088	1.8
189.01863	2.5
190.02632	94.8
191.03181	5.9
192.04115	1.6
193.01376	2.1
194.02150	0.9
203.03331	1.1
205.04991	98.6
206.05360	6.2
207.02933	1.7
208.03661	1.3
209.04614	3.7
223.06075	13.7
249.03937	1.5
265.03119	0.9
271.99509	0.8
285.00140	0.8
298.98276	1.8
299.99170	4.9
300.02109	1.1
300.99905	4.5
333.03906	2.0
340.80573	0.8
359.06689	0.8
425.01532	2.4
439.12311	2.8
454.14694	5.8
469.17120	100.0
470.17426	11.9
481.36002	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	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	1.3
59.01252	24.5
61.98683	2.2
69.26353	1.5
69.26706	9.7
71.01247	14.4
72.99171	1.3
73.02820	1.7
79.25133	0.9
83.01239	1.0
85.02814	3.8
85.06461	11.1
87.00735	1.8
87.44555	0.8
89.02315	10.9
89.03812	1.5
95.01235	1.0
99.00742	1.5
99.64861	0.9
101.02316	9.3
113.02369	6.2
113.05951	2.4
115.07484	1.5
117.03351	4.0
119.03392	5.8
121.02838	1.2
127.07518	1.2
130.49545	0.9
131.07036	50.8
132.02066	6.8
132.07350	1.6
133.02875	4.9
134.03635	40.0
135.04362	3.3
147.04369	2.5
149.05948	3.6
160.01572	35.4
161.02370	13.5
161.04408	1.1
164.04639	1.3
173.04506	1.2
173.08012	1.3
175.00436	1.4
175.03928	50.4
176.04605	7.1
177.01764	1.8
178.02609	1.9
179.03339	2.1
190.02580	3.2
191.07042	6.4
192.04251	0.9
193.04999	31.8
194.05281	1.6
205.04942	4.4
207.06566	2.5
220.03690	1.6
235.06099	14.6
265.07245	2.3
275.11435	1.1
293.12424	100.0
294.12891	6.7
295.08099	3.2
295.11087	1.1
299.98956	2.6
300.99832	3.8
337.09134	1.3
425.01279	1.1
469.17026	61.0
470.17368	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	469.1172
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
59.01254	1.1
64.45667	0.5
65.00185	0.6
71.01256	1.1
71.50698	0.7
74.98989	1.0
79.95606	38.2
86.50286	0.6
87.00753	0.9
93.03329	0.8
95.95119	1.1
96.95889	100.0
98.95480	0.5
107.01252	1.0
108.02055	0.7
109.02821	1.7
110.97464	14.0
111.00761	1.3
113.02362	0.8
120.87666	0.5
121.02856	0.7
123.00797	1.0
125.02336	2.0
134.16597	0.6
136.98914	0.6
137.02292	1.4
139.00171	0.6
141.45166	0.6
141.95689	3.2
151.00287	2.7
152.01001	0.6
153.01764	0.8
160.01550	1.3
162.72540	0.6
166.99919	1.5
169.01300	1.1
173.04378	0.6
175.03947	2.3
178.99782	2.2
189.05476	0.9
190.02640	0.9
203.03423	0.8
205.05045	0.8
213.59366	0.6
218.00954	0.9
245.04401	0.6
259.02643	0.7
298.98502	0.7
299.99060	1.6
300.99881	3.0
301.03513	1.8
311.09171	1.2
317.03143	0.9
328.09592	1.1
329.10339	2.5
332.01727	0.7
340.05042	0.7
343.11755	2.1
371.29437	0.6
372.03708	1.7
374.13736	1.2
390.04776	1.5
423.07706	1.1
425.01785	1.3
442.22464	0.6
443.89224	0.6
448.29193	0.6
454.09644	1.1
469.11786	68.8
470.12027	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	469.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.0
57.03315	7.1
59.01248	18.6
60.99173	1.2
61.00901	1.7
67.01741	1.3
68.99679	11.7
70.88159	2.9
71.01250	33.7
72.99177	19.5
73.02802	5.0
75.00736	10.2
75.02452	7.3
83.01257	24.2
84.99192	3.9
85.00907	7.9
85.02818	9.2
87.00749	9.9
88.98671	4.1
89.02306	2.5
96.95896	2.9
96.99209	1.3
97.99980	2.0
99.00756	32.7
99.02464	3.6
99.99625	1.3
100.98682	3.1
101.02312	3.6
103.00266	4.8
109.02767	1.1
111.00768	36.0
111.04376	1.1
112.98690	100.0
113.04090	1.4
113.98992	3.8
114.98325	4.0
115.00259	13.1
115.01960	3.4
115.03841	1.4
117.01820	10.8
121.02708	1.0
123.00759	2.9
124.98688	5.1
125.02344	4.4
127.00266	2.8
127.01968	1.0
128.03398	3.7
129.01823	19.7
129.03531	1.5
130.02180	1.2
135.02855	2.6
135.04440	2.4
141.03462	1.1
142.99765	15.6
143.01425	6.5
143.03394	3.5
145.01323	89.6
146.01662	2.9
149.06029	0.9
152.00958	1.2
154.99771	3.3
157.01335	4.6
159.02873	2.3
161.02382	2.3
161.04498	1.5
165.01875	1.0
165.03854	1.3
169.01352	2.0
171.00961	15.8
173.00854	20.9
173.02364	2.1
173.04437	1.8
175.02455	1.4
175.03882	2.0
176.96394	0.9
185.02440	1.1
185.16077	1.0
187.02412	4.7
189.01904	2.0
191.03450	1.0
191.05562	2.3
193.01363	2.8
195.01721	1.4
199.00444	3.2
201.01843	1.4
203.03574	2.3
205.03439	6.5
213.02034	1.2
217.01369	1.7
217.05116	2.0
229.01593	1.3
231.03113	10.8
245.04660	2.8
261.00412	1.6
263.05780	59.6
264.06143	3.8
273.04230	1.3
275.01996	1.9
288.99908	2.1
290.01129	1.2
299.99161	1.6
301.00024	5.5
335.07895	1.6
347.07806	1.5
365.08838	4.0
376.02658	1.1
381.08215	1.2
391.06937	3.4
391.53510	2.3
393.08496	1.2
409.07971	6.7
419.06430	1.7
425.01248	2.4
451.09097	11.9
460.45911	1.2
469.10071	98.0
470.10437	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	469.117
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
56.96922	0.2
57.03331	0.3
59.01251	5.0
61.98699	0.5
71.01246	2.9
71.51580	0.3
72.99148	0.2
73.02810	0.9
75.00736	0.4
78.25434	0.2
79.95604	7.7
83.01252	0.6
85.02828	1.5
89.02307	0.7
93.03339	0.5
95.01282	0.3
95.95102	0.2
96.95885	100.0
97.02808	0.3
97.95808	0.4
99.00782	0.4
101.02322	2.3
108.02059	0.3
109.02789	0.5
110.97457	0.7
113.02310	1.2
119.03434	0.2
119.04893	0.8
123.00762	1.0
123.04402	1.2
124.01579	0.3
125.02316	0.5
131.03378	2.1
134.03648	0.6
135.02895	0.2
135.04422	0.6
137.02327	0.6
138.03117	0.4
139.03902	1.0
143.03375	0.3
145.02858	0.2
146.45996	0.2
152.01054	0.5
155.90219	0.2
160.37506	0.2
161.02336	0.3
161.04485	1.2
163.03902	0.6
164.30159	0.2
167.03423	0.7
173.04359	0.3
175.00363	0.4
178.02347	0.2
179.03264	0.4
181.04968	0.3
185.11726	0.3
189.01836	0.2
190.02606	0.4
195.06343	0.2
201.11108	0.3
205.04968	0.5
233.06190	0.3
235.08109	0.2
247.13388	0.3
270.08875	0.4
270.98672	0.4
277.16550	5.5
284.07007	0.4
285.07770	0.2
285.11203	0.5
286.08411	0.4
298.98151	0.4
299.09219	0.7
299.99097	0.8
300.99719	1.0
301.10678	0.3
314.08093	1.1
329.10367	1.3
333.04016	0.3
344.12643	2.5
345.13092	0.4
359.15021	0.3
409.20856	1.5
425.01309	0.3
431.08698	0.2
454.09476	0.3
469.11700	37.3
470.12076	4.6
470.18518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99238	0.4
59.01235	0.8
70.02755	2.3
92.46614	0.5
95.01265	5.7
97.02815	0.6
101.02296	0.5
107.01284	1.6
108.02055	1.5
109.02860	0.9
123.00766	6.4
125.02319	2.2
126.02691	0.5
132.02058	0.6
139.00272	1.6
145.02837	0.9
148.01613	0.5
151.00288	2.6
152.01035	2.0
153.01482	0.6
157.02840	1.3
160.01530	1.0
163.03841	0.6
166.99765	11.7
168.00327	0.5
169.01366	2.8
170.01633	1.3
171.00677	0.5
172.01563	5.2
173.02304	1.8
176.01117	0.6
185.02383	3.6
187.00424	0.7
188.01028	0.9
200.00980	2.5
201.01863	1.9
214.99814	1.4
216.00549	4.2
219.41528	0.5
226.99858	1.2
228.00591	3.9
229.01332	4.0
242.99361	3.9
244.00130	4.8
245.00891	2.4
248.09840	0.5
254.99365	0.7
257.00806	2.7
270.98837	16.9
271.99484	5.1
273.00046	0.6
282.98886	3.4
283.99655	3.7
285.00430	2.2
298.94876	1.0
298.98315	26.5
299.99091	60.9
300.99863	100.0
302.00211	7.6
314.05905	0.5
315.06439	0.6
407.00357	1.5
425.01401	7.6
425.10229	0.8
426.01834	1.3
450.99329	4.8
451.99570	1.0
468.08203	1.3
469.00470	6.0
469.08829	5.1
469.15594	0.5
469.17722	0.5
469.32913	0.7
470.00809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98372	0.4
59.01247	1.6
61.91310	0.5
61.98670	0.6
66.83273	0.5
70.72143	1.9
71.01263	0.8
76.98732	0.6
95.01238	3.7
96.95900	0.7
101.02319	0.8
108.72422	0.5
109.02845	0.9
114.71092	0.5
123.00749	3.6
125.02351	1.0
132.02048	1.4
135.04449	0.6
137.02348	1.0
138.01862	0.6
144.02077	0.8
145.02870	1.3
151.00215	0.6
157.02843	1.2
160.01573	0.7
165.01836	3.7
166.99707	2.9
169.01355	0.9
172.01588	5.9
173.02309	2.3
179.03369	1.0
180.04224	2.6
185.02361	3.6
188.01143	0.7
188.22701	0.6
190.02585	0.7
195.06526	4.5
199.00298	1.3
200.01074	2.7
201.01878	3.1
213.01833	0.8
214.99821	1.0
216.00592	4.6
217.01273	1.0
225.07631	2.5
226.99783	1.6
228.00575	6.0
229.01390	7.2
242.99400	3.1
244.00052	6.9
245.00864	2.0
254.99374	1.0
257.00858	4.1
270.98834	10.8
271.99606	6.4
273.00278	1.3
282.98849	5.3
283.99564	4.3
285.00397	8.5
289.07175	1.3
298.94830	0.8
298.98322	25.4
299.99097	77.3
300.99857	100.0
302.00201	6.4
333.77545	0.6
414.79532	0.7
425.01483	41.7
426.01758	4.5
450.99365	1.3
469.00430	8.8
469.23517	0.7
469.34122	0.6
470.00528	1.1
474.58527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.0
57.03325	6.4
58.00473	1.4
59.01251	23.0
61.41941	0.2
61.98687	0.4
67.01757	0.4
68.33974	0.3
68.99687	0.5
69.03313	1.0
71.01253	100.0
71.50618	0.5
72.01572	1.4
72.99193	3.0
73.02818	34.8
74.03165	0.5
75.00739	1.8
77.08924	0.2
78.95776	1.2
79.94200	0.2
81.03332	0.8
83.01258	13.8
84.02040	0.6
85.02822	48.8
85.99963	1.1
86.03157	1.0
87.00750	3.5
87.04418	0.4
89.02314	4.8
93.03329	0.3
95.01263	7.3
97.02831	2.9
99.00760	16.2
100.03931	0.4
101.02321	72.2
102.02622	1.3
111.00759	1.2
113.02330	42.4
114.02646	0.8
115.03896	0.8
115.60715	0.2
119.03336	0.3
125.02321	3.2
129.01816	1.8
131.03410	0.4
135.89513	0.2
139.00267	0.7
143.03398	6.1
143.85736	0.2
159.02892	11.8
161.04462	71.2
162.04784	2.4
162.32266	0.3
179.05531	0.3
203.36414	0.3
205.03461	4.5
206.03955	0.4
219.02971	0.3
280.17163	0.3
303.23236	1.4
304.23627	0.3
325.15491	0.3
393.02332	0.3
467.30127	28.4
468.30447	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	467.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94706	1.0
57.03321	55.7
59.01247	33.1
69.03277	1.1
69.38746	6.7
71.01257	11.4
72.99174	1.3
73.02811	2.9
78.64198	1.1
81.03324	1.0
83.01228	1.4
85.02814	1.0
89.02314	3.2
93.03318	1.7
97.02817	1.2
99.04395	23.8
101.02332	13.8
109.02807	6.0
125.02337	13.5
133.02843	1.8
134.03610	6.8
135.04437	1.9
137.02321	1.4
139.00215	1.4
139.03865	1.9
145.07584	6.4
160.06317	19.7
161.02394	1.2
161.04460	12.1
161.07111	67.7
162.07463	1.6
165.01825	1.2
167.03455	1.1
173.04427	4.6
173.07127	1.4
173.10791	1.8
175.03741	1.1
175.08682	48.4
176.09012	1.9
177.01869	5.5
185.10767	2.2
187.08676	6.3
189.01884	10.3
189.06612	90.2
190.02518	1.5
190.07002	5.8
191.05545	2.1
201.10239	9.6
203.08194	39.5
203.11859	8.8
204.08496	1.5
216.00557	1.2
217.01384	11.2
217.09926	1.2
218.01488	1.2
219.02826	1.3
229.09782	18.6
231.02899	2.2
231.10201	1.7
243.02905	1.7
254.96637	1.0
255.02943	4.2
256.03430	1.5
257.04440	1.4
275.09308	1.4
277.11859	3.5
293.10342	5.9
297.04361	1.4
304.03778	1.4
305.11423	63.4
306.11697	4.1
323.12460	100.0
324.12778	7.7
357.06039	11.1
358.06360	1.2
365.13440	11.8
391.02695	1.3
405.16736	1.1
407.07602	9.3
408.07941	1.2
467.09827	8.2
467.16003	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	467.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01936	0.7
57.03299	1.6
57.52991	0.8
59.00962	0.9
59.01250	15.1
61.98686	1.4
67.01744	1.8
68.99371	1.1
68.99684	12.3
69.03304	1.3
70.48406	0.8
71.01241	6.8
72.99167	1.6
73.02816	2.8
75.00739	2.9
81.03316	1.3
83.01269	1.0
83.04883	1.5
85.02817	5.8
87.00742	1.9
88.26768	0.9
89.02311	2.6
93.02763	1.6
93.03324	18.4
96.99188	7.0
97.06458	1.0
99.00739	7.8
101.02298	4.9
103.03860	2.2
109.02810	2.7
111.00771	2.1
111.04373	2.5
113.02350	1.2
117.03359	2.8
119.03374	1.7
119.04876	2.8
120.60682	0.9
121.02851	2.3
123.00737	1.2
124.01613	1.0
125.02273	1.8
126.02708	0.9
133.02844	4.4
134.03616	9.2
135.04358	3.7
137.02321	6.2
139.03871	2.3
143.04999	0.8
143.10626	1.4
145.02858	3.8
153.01819	1.3
155.03392	2.7
159.04393	2.9
160.01480	1.2
161.02335	5.5
163.03885	4.2
165.01859	4.0
169.01355	1.4
169.06509	2.8
173.02261	2.2
173.04465	38.7
174.03040	3.4
174.04672	0.8
175.03915	3.9
177.01852	5.1
178.02637	12.1
178.99773	1.4
179.03415	4.4
186.03175	1.2
187.03871	4.4
189.01781	1.1
191.05524	1.7
193.01312	1.4
199.03729	1.4
201.01756	1.4
203.03517	1.5
207.06537	3.3
211.03946	3.9
212.04713	1.1
213.01825	4.1
213.05379	1.5
217.04979	3.5
219.02841	1.0
226.02690	2.1
227.03448	1.8
232.12758	0.9
233.04375	1.2
239.03482	5.8
240.04070	1.4
243.02956	3.3
244.03651	1.9
245.00728	1.0
255.02998	1.4
256.03641	0.9
259.05792	2.1
261.03662	1.5
261.05539	3.4
262.00089	0.9
265.05084	0.9
273.05432	1.7
274.01218	1.1
274.06158	1.5
275.06717	5.3
275.09338	3.4
277.04959	3.9
277.07547	1.1
278.05756	6.1
279.06641	64.0
280.06879	5.0
283.02542	2.0
284.03250	5.3
287.07147	12.0
289.05042	2.1
289.08527	2.5
290.05505	1.8
291.06821	3.1
293.10306	3.9
303.06573	3.0
305.08221	2.5
313.05246	1.0
314.05972	2.2
315.06604	20.6
316.07278	2.1
318.05368	9.1
319.06149	6.1
329.90460	0.9
331.06146	5.4
333.07635	13.1
334.07999	1.2
343.07224	1.0
345.07700	1.2
359.05435	7.0
374.06326	2.5
377.06662	23.9
378.06970	1.7
407.09720	1.0
425.10916	1.7
449.08618	1.9
449.14426	2.9
467.09787	100.0
467.15192	3.7
467.20453	3.5
468.10165	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	467.0977
Annotation	Cadensin G
Peak:m/z	Relative Intensity
57.01936	0.7
57.03299	1.6
57.52991	0.8
59.00962	0.9
59.01250	15.1
61.98686	1.4
67.01744	1.8
68.99371	1.1
68.99684	12.3
69.03304	1.3
70.48406	0.8
71.01241	6.8
72.99167	1.6
73.02816	2.8
75.00739	2.9
81.03316	1.3
83.01269	1.0
83.04883	1.5
85.02817	5.8
87.00742	1.9
88.26768	0.9
89.02311	2.6
93.02763	1.6
93.03324	18.4
96.99188	7.0
97.06458	1.0
99.00739	7.8
101.02298	4.9
103.03860	2.2
109.02810	2.7
111.00771	2.1
111.04373	2.5
113.02350	1.2
117.03359	2.8
119.03374	1.7
119.04876	2.8
120.60682	0.9
121.02851	2.3
123.00737	1.2
124.01613	1.0
125.02273	1.8
126.02708	0.9
133.02844	4.4
134.03616	9.2
135.04358	3.7
137.02321	6.2
139.03871	2.3
143.04999	0.8
143.10626	1.4
145.02858	3.8
153.01819	1.3
155.03392	2.7
159.04393	2.9
160.01480	1.2
161.02335	5.5
163.03885	4.2
165.01859	4.0
169.01355	1.4
169.06509	2.8
173.02261	2.2
173.04465	38.7
174.03040	3.4
174.04672	0.8
175.03915	3.9
177.01852	5.1
178.02637	12.1
178.99773	1.4
179.03415	4.4
186.03175	1.2
187.03871	4.4
189.01781	1.1
191.05524	1.7
193.01312	1.4
199.03729	1.4
201.01756	1.4
203.03517	1.5
207.06537	3.3
211.03946	3.9
212.04713	1.1
213.01825	4.1
213.05379	1.5
217.04979	3.5
219.02841	1.0
226.02690	2.1
227.03448	1.8
232.12758	0.9
233.04375	1.2
239.03482	5.8
240.04070	1.4
243.02956	3.3
244.03651	1.9
245.00728	1.0
255.02998	1.4
256.03641	0.9
259.05792	2.1
261.03662	1.5
261.05539	3.4
262.00089	0.9
265.05084	0.9
273.05432	1.7
274.01218	1.1
274.06158	1.5
275.06717	5.3
275.09338	3.4
277.04959	3.9
277.07547	1.1
278.05756	6.1
279.06641	64.0
280.06879	5.0
283.02542	2.0
284.03250	5.3
287.07147	12.0
289.05042	2.1
289.08527	2.5
290.05505	1.8
291.06821	3.1
293.10306	3.9
303.06573	3.0
305.08221	2.5
313.05246	1.0
314.05972	2.2
315.06604	20.6
316.07278	2.1
318.05368	9.1
319.06149	6.1
329.90460	0.9
331.06146	5.4
333.07635	13.1
334.07999	1.2
343.07224	1.0
345.07700	1.2
359.05435	7.0
374.06326	2.5
377.06662	23.9
378.06970	1.7
407.09720	1.0
425.10916	1.7
449.08618	1.9
449.14426	2.9
467.09787	100.0
467.15192	3.7
467.20453	3.5
468.10165	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	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
65.00182	0.3
67.01778	0.3
69.03314	0.8
71.01244	1.4
71.30399	0.4
73.02820	0.5
79.01785	0.3
79.39122	0.2
81.03326	0.3
83.01250	0.5
85.02808	0.9
93.03320	0.3
95.01244	0.9
97.02835	0.6
101.02312	0.8
107.01258	3.1
108.02048	14.6
109.02169	0.4
109.02850	7.1
110.03095	0.3
111.00762	0.9
113.02320	0.9
121.01088	0.2
121.02821	0.5
123.00771	5.7
123.04398	0.9
124.01535	0.3
125.02332	13.7
126.02671	0.5
127.00156	0.3
135.00760	0.6
136.98737	0.5
139.00264	1.7
140.01054	1.2
141.01802	0.5
151.00272	4.2
151.03842	0.6
152.01054	18.6
153.01848	4.2
153.05461	0.7
154.02122	0.2
163.03912	0.5
165.01862	0.5
166.99704	0.5
168.00519	1.5
169.01332	19.7
170.01662	0.5
177.01953	0.3
193.98453	2.7
194.99268	0.7
195.02867	0.3
211.02353	0.7
241.03409	0.5
242.99460	0.3
249.11220	0.3
253.03386	0.3
270.98706	0.6
275.09149	0.3
297.06110	0.6
298.98218	0.7
299.99014	0.8
301.00000	0.3
313.05655	5.2
314.05725	0.4
315.07205	10.1
316.07419	0.8
423.09296	18.3
424.09576	1.7
449.07095	1.7
467.08200	100.0
468.08533	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	467.098
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
57.03315	3.4
59.01248	12.9
61.60048	1.9
67.01752	2.9
71.01245	8.6
73.02808	3.9
75.81071	1.9
81.03295	3.1
83.01252	4.7
83.04900	3.0
85.02809	5.6
87.00757	3.4
89.02309	3.4
93.03328	17.9
95.01251	2.1
95.04846	3.5
96.27972	2.1
97.02822	2.8
97.06448	2.9
98.19872	4.8
99.00751	3.8
101.02324	5.0
105.03315	2.7
107.04908	4.4
108.02021	5.0
109.02834	55.4
110.03197	1.9
111.00735	6.8
111.04392	10.4
119.04881	2.6
120.99477	2.7
121.02839	9.8
123.00735	4.8
123.04396	22.0
124.01511	4.8
125.02328	40.5
131.04887	2.1
133.02844	34.2
134.03624	83.0
135.04416	38.6
136.01570	3.8
137.02338	42.5
138.03056	6.1
139.00278	3.3
139.03926	14.7
145.02841	6.2
146.03647	2.5
147.04344	7.5
149.02362	12.8
150.03052	4.6
151.03911	45.7
152.01045	4.5
153.01788	8.6
155.03339	6.7
159.04396	5.2
161.02344	66.4
161.05945	4.5
162.02844	6.2
163.00211	6.1
163.03931	12.1
164.00998	5.5
165.01793	7.7
166.02562	6.5
167.03352	5.9
169.01302	3.6
170.54991	2.1
173.04475	47.4
174.03151	2.9
175.03828	5.0
176.01093	3.2
177.01848	77.5
178.02614	34.0
179.03407	24.9
185.06053	2.4
187.03873	4.3
189.01866	71.7
189.35010	2.3
190.02562	15.1
190.99773	22.3
191.03406	11.8
191.05504	4.6
191.99179	2.4
192.00584	21.3
193.01318	19.4
195.02878	4.7
201.01808	4.2
203.03369	6.9
203.07018	3.7
205.01424	13.3
205.04979	3.7
206.02055	4.0
214.02551	2.8
216.00500	8.6
217.01398	40.4
218.01897	5.0
219.02943	22.2
229.08372	2.0
231.02846	11.7
231.10202	12.8
233.00928	4.4
233.04515	11.3
235.02489	3.0
243.06621	2.7
245.04492	2.9
245.08118	6.6
247.02396	3.9
253.04887	3.3
255.02971	3.7
257.04321	3.4
259.05771	2.1
269.04739	2.9
269.07947	2.7
271.06058	4.2
275.09241	21.9
281.04437	3.5
287.05606	7.2
289.07141	35.6
290.07544	2.7
293.10291	52.7
295.06287	2.7
299.05600	5.5
301.00009	3.9
301.03171	10.4
305.06610	24.7
313.07037	10.3
315.05115	10.8
335.20557	2.7
339.05124	9.9
341.06631	50.0
342.07022	5.0
357.06137	100.0
358.06296	8.9
383.11926	2.5
389.10168	5.7
407.07706	6.3
419.15030	10.6
423.10760	7.0
449.08447	6.3
449.14392	5.4
467.09894	58.9
467.15680	16.7
468.09598	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72795	0.8
57.03324	6.3
57.60571	0.7
58.00448	0.8
59.01251	100.0
60.01569	1.5
61.98683	2.6
67.28996	0.7
69.85268	3.9
71.01254	22.7
72.99180	1.8
73.02837	1.6
83.01248	1.0
83.76685	0.8
85.02806	3.9
87.00733	1.8
89.02318	31.6
89.74560	0.7
95.01276	1.9
97.02815	1.1
101.02323	14.1
107.01293	1.3
109.02827	1.1
112.05153	1.4
113.02323	8.9
119.03387	16.0
123.00758	1.4
125.02342	8.0
131.03401	1.6
133.02814	0.9
134.07298	1.5
135.02873	1.4
137.09602	1.2
139.00266	0.9
139.07487	0.9
141.57861	0.9
143.03412	3.9
149.02377	0.9
149.04437	1.7
149.09608	12.9
151.00243	2.3
153.01860	1.7
153.09123	5.4
161.04485	7.8
166.99802	1.6
167.10687	31.8
168.11003	1.7
169.01328	3.5
173.02252	0.9
173.04439	1.0
176.01102	0.9
177.01797	2.5
179.04095	1.2
179.05542	12.6
180.05887	0.8
189.96992	0.7
191.05576	0.9
197.62228	1.0
225.14896	8.0
229.01132	1.0
241.05214	0.9
243.15970	4.6
245.00810	1.2
274.01379	0.8
275.01910	1.9
285.04056	5.0
298.98386	1.1
299.99185	1.7
300.99875	6.4
303.05072	3.4
304.05164	0.9
375.01715	1.0
394.25577	0.9
405.21307	25.5
406.21616	2.3
465.23770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.8
57.03329	3.1
58.00460	1.3
59.01249	27.3
61.98699	2.1
65.00182	0.5
68.70924	0.3
68.99680	0.4
69.03326	1.3
69.46366	1.6
69.46775	1.0
71.01252	56.2
72.01596	0.9
72.99177	2.4
73.02815	20.8
75.00739	1.7
81.03321	0.9
83.01250	6.9
84.02052	0.4
85.02823	24.7
85.99976	0.4
86.03175	0.6
87.00748	3.0
87.58077	0.3
89.02316	17.0
93.03345	1.0
95.01263	3.9
96.95885	2.9
97.02827	2.7
99.00752	9.1
99.04357	0.6
101.02321	31.5
102.02671	0.8
102.98486	0.4
107.01285	0.8
109.02831	1.1
111.00758	1.1
113.02328	22.8
115.03885	1.2
119.03394	2.7
119.04901	0.3
120.99532	0.7
121.02811	0.7
123.00760	1.3
123.04430	1.0
125.02336	5.6
129.01828	0.9
131.03389	3.0
133.02753	0.3
135.02873	1.7
135.04414	1.8
137.02325	1.2
139.00327	0.9
139.03961	0.5
141.01837	0.4
143.03389	2.0
149.02322	0.5
149.04466	4.0
150.03195	1.0
151.00322	1.8
151.03928	1.6
155.10628	0.4
159.02919	4.5
159.04297	0.8
161.02362	0.6
161.04466	23.4
162.04861	0.6
165.01874	1.0
165.98912	0.5
166.51277	0.3
169.01332	2.1
171.13771	0.7
173.02431	0.6
173.04512	0.6
174.03058	0.4
175.03860	0.6
176.63315	0.4
177.01851	0.4
179.03418	1.4
179.05595	0.5
185.02510	0.4
187.03998	0.4
189.01866	0.5
189.23184	0.3
191.05521	1.3
201.01811	0.5
201.99010	0.6
203.03491	0.3
205.03534	0.8
216.00507	0.5
229.01337	0.9
229.98535	0.7
233.06573	1.3
245.00879	0.4
257.00940	0.5
258.98770	0.5
259.99524	0.6
275.01965	1.1
285.04102	0.8
285.97528	2.7
286.98251	0.7
287.98969	0.6
291.06400	0.6
293.08810	0.5
300.99939	2.7
301.99722	0.5
303.05103	0.5
309.07944	0.6
313.05667	1.0
313.96948	0.6
314.97931	0.5
317.19647	0.4
325.06512	0.7
333.19171	27.4
334.19366	1.9
335.06009	0.4
377.18210	1.9
381.01901	0.4
386.08780	0.8
390.02917	0.4
405.20959	0.5
447.02060	4.9
448.02191	0.8
465.23376	100.0
466.03427	0.4
466.23718	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	465.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.0
57.03307	4.8
58.00460	4.0
59.01247	88.5
60.01586	1.6
61.98697	53.7
67.01724	3.2
68.06715	1.5
68.55244	1.7
68.99690	1.7
69.03313	3.6
69.29346	4.2
69.29752	10.9
71.01253	95.6
72.01574	1.8
72.99168	6.8
73.02818	19.7
75.00735	5.5
75.11271	1.3
77.41660	1.5
79.01782	2.0
79.76088	1.6
80.02526	2.2
83.01258	10.2
85.02827	36.6
86.03606	2.0
87.00743	7.3
87.04386	4.7
89.02314	64.2
89.08048	1.8
90.02663	1.8
93.03336	3.8
95.01254	8.2
95.04897	41.6
96.95877	3.7
97.02822	3.6
99.00743	6.8
101.02318	66.8
102.02647	3.0
107.01265	11.1
107.04907	16.8
109.02819	12.4
109.06467	2.1
111.00742	6.3
113.02328	34.1
119.03397	21.6
119.08530	4.8
120.99496	1.9
121.04945	22.2
122.03608	3.6
123.00761	18.5
123.04403	6.4
125.02336	59.8
125.09589	9.4
126.02634	2.8
131.03377	5.1
133.02895	2.2
135.02843	6.3
135.04417	8.6
136.98705	2.6
137.02286	1.7
137.05952	3.3
139.00258	9.5
139.07512	2.9
140.01028	5.3
141.01939	2.0
143.03383	5.2
145.02843	3.1
149.02361	2.3
149.04410	2.6
151.00272	11.9
151.03883	4.7
153.01799	12.4
155.10689	9.8
159.02917	4.0
161.02347	3.5
161.04463	35.5
163.03851	2.7
167.10629	3.7
168.00577	3.3
169.01331	58.9
170.01749	3.0
173.04526	2.3
174.03203	2.0
179.03479	3.0
179.05544	13.1
181.08620	71.0
185.11717	4.6
191.05511	4.0
199.09720	8.7
201.01840	2.3
201.11263	4.9
211.02133	1.8
211.63591	1.6
215.12897	2.0
225.11215	10.6
225.14906	5.6
229.01369	4.0
229.08731	1.7
243.12326	2.9
270.06531	1.8
273.07687	2.1
275.01901	4.0
281.08746	3.2
283.10330	100.0
284.10712	5.7
297.06171	3.1
298.98227	1.9
299.98978	9.9
300.99744	19.8
301.99741	22.2
303.00317	9.5
303.08847	2.3
313.05542	11.9
333.19131	12.6
405.21277	14.0
421.11423	51.0
422.11621	6.6
447.09344	8.4
450.99539	2.3
465.05594	20.2
465.10263	64.0
465.23822	53.0
466.02155	2.2
466.11014	9.4
466.23706	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	465.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.7
69.30971	5.1
69.31381	0.9
70.57617	0.6
71.01231	1.6
75.99637	0.6
89.02315	0.7
89.03834	0.7
89.95340	0.6
93.03326	6.1
95.04904	1.0
108.02060	12.9
109.02837	22.0
117.03352	0.8
119.04917	1.8
121.02905	1.7
123.04408	21.3
124.04756	0.8
125.02325	1.7
133.02831	2.2
134.03615	1.5
136.77245	0.6
137.02328	8.8
145.02827	1.6
147.04425	4.4
149.02322	1.8
149.05965	0.8
149.60194	0.6
150.03131	1.2
151.03903	7.9
159.04414	2.0
160.01581	3.8
161.02322	2.6
162.03123	0.7
163.03893	1.5
175.03908	5.4
176.01120	1.5
177.00279	1.3
177.01845	26.6
179.03342	0.8
183.10159	0.8
187.03926	2.6
188.04640	0.8
189.01855	57.0
190.02611	13.3
191.03409	10.8
201.01866	0.8
203.03415	6.8
203.07059	1.0
205.04933	0.6
216.00549	8.8
217.01364	43.7
218.01988	3.9
219.02904	16.1
220.03331	0.8
231.02934	13.5
232.03467	2.1
233.04434	1.5
245.08237	0.9
271.06125	4.1
281.04520	2.5
289.07263	4.0
297.04269	1.1
297.07755	2.5
299.05328	0.7
301.07187	1.5
313.07190	1.9
314.56216	0.6
323.05600	2.4
335.84042	0.7
341.06628	100.0
342.06912	10.9
355.08224	9.1
356.08444	1.6
418.52606	0.6
465.11850	38.6
466.12241	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	465.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01338	1.5
61.44819	0.3
61.98785	0.6
67.95542	0.3
69.21161	0.8
69.21561	3.5
71.00994	0.3
71.01340	0.7
83.01365	0.6
85.02899	0.4
89.02415	0.4
93.03460	1.7
95.01392	0.3
95.04977	0.8
101.02420	0.6
101.29361	0.3
108.02193	8.6
109.02972	11.6
117.03456	0.5
119.05019	0.9
121.02982	1.0
122.03684	0.6
123.04405	15.6
124.04798	0.4
125.02462	1.0
132.02205	0.5
133.02852	2.1
135.00906	0.6
137.02344	4.0
145.02856	1.9
147.04433	3.5
148.01590	0.5
149.02489	1.3
149.06113	0.5
150.03247	1.3
151.03912	5.1
158.03613	3.1
159.04416	2.7
159.58812	0.4
160.01584	2.9
161.02501	1.7
161.06059	1.0
162.03111	0.8
163.03995	0.7
165.01927	0.6
167.03476	0.5
171.04626	0.6
173.02501	0.4
175.03908	4.1
176.01175	1.1
177.01845	22.6
178.02342	0.7
179.03510	0.6
187.03917	1.8
188.04686	0.5
189.01854	45.4
190.02592	10.9
191.03413	9.6
200.04765	0.4
201.02040	0.8
201.05690	1.1
202.02650	18.0
203.03381	6.4
203.07138	0.5
205.04985	0.6
213.05618	1.1
216.00562	8.2
217.01358	33.4
218.01982	3.1
219.02930	13.3
219.05034	0.7
220.03400	0.6
226.06210	0.4
227.07166	0.7
231.02933	11.1
231.05139	0.6
232.03578	1.5
233.04593	1.0
245.08226	0.7
248.18362	0.4
269.04669	0.6
271.06149	3.4
272.06580	0.5
275.05557	0.5
281.04639	2.1
282.04993	0.5
289.07166	4.8
297.04169	0.9
297.07748	2.0
298.04706	0.5
299.05582	0.6
301.03787	0.6
301.07251	1.2
303.08795	0.9
311.09058	0.5
313.07278	1.6
323.05533	1.9
326.04117	0.4
341.06625	100.0
342.06967	10.3
348.96722	0.4
355.08200	8.2
356.08539	1.0
407.08743	0.4
465.11929	45.0
465.25909	1.7
466.12210	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	465.1038
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
55.59827	0.6
57.03310	2.8
59.01247	12.6
61.98701	9.2
63.02253	1.3
65.00194	17.0
69.37656	6.0
71.01254	8.3
72.99180	1.8
73.02828	1.9
75.00745	2.0
78.91766	0.7
81.03315	0.8
83.01257	9.3
85.02827	3.3
87.93607	0.7
89.02303	6.0
93.03308	1.8
95.01232	1.4
96.95901	2.7
99.00751	1.0
100.84737	0.7
101.02323	4.6
105.03347	1.0
107.00537	1.5
107.01266	23.8
108.02113	0.7
109.02822	3.1
111.00755	1.3
111.49630	0.7
113.02309	3.1
117.03308	0.7
119.03400	2.0
119.04885	0.9
121.02826	0.9
122.03601	1.1
123.00788	1.4
123.04401	10.3
124.01544	2.0
125.02334	12.7
129.45911	0.7
133.02843	3.6
135.02922	3.3
135.04414	7.3
137.02376	3.3
139.00276	1.3
139.03909	1.1
145.02855	0.8
147.04396	0.8
149.02333	2.2
150.03125	10.9
151.00270	100.0
151.03900	25.4
152.01036	5.2
152.04282	1.0
153.01782	2.0
155.04871	0.7
159.04462	1.1
161.02373	1.6
161.04535	1.6
161.05818	1.1
163.03888	1.3
165.01854	1.5
165.99049	0.7
166.99794	1.0
167.03329	0.8
167.10703	0.9
169.01326	5.5
173.02373	1.5
173.04504	1.1
174.03157	1.4
175.03874	3.1
176.01031	1.1
177.01852	1.2
178.99802	7.1
179.03430	2.9
185.11768	1.2
189.05553	0.9
191.05547	2.3
197.05922	0.8
199.03995	2.4
200.04457	0.8
201.01842	1.7
203.03400	0.8
213.05589	1.1
214.06525	0.7
215.03477	1.1
217.05075	1.2
223.07681	0.8
229.01344	1.4
229.05167	0.9
239.07242	0.8
241.04991	1.3
243.02986	0.8
243.16008	1.3
257.04443	1.6
285.04044	60.0
285.07565	2.9
286.04364	3.1
286.07516	0.7
291.08838	1.5
297.05908	0.6
299.99121	1.3
300.99808	4.6
301.99991	1.5
302.04126	1.1
303.05020	3.2
303.08755	3.2
309.07654	1.1
313.05862	1.0
313.09286	2.3
317.19632	1.3
333.19278	3.8
335.05411	0.7
335.56201	0.6
339.07040	3.2
405.21405	3.7
447.02002	1.9
465.04831	1.6
465.10150	13.4
465.19894	2.9
466.03351	1.4
466.10989	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.2
63.02254	2.1
65.00188	6.4
68.99718	1.7
69.03333	2.0
71.01235	6.2
72.99203	1.5
78.42746	1.3
79.01791	1.7
83.01249	4.0
85.02829	3.0
87.81527	1.7
89.02327	3.2
93.03326	2.4
95.01269	5.5
96.99173	2.2
99.00751	2.5
101.02316	3.9
106.00475	5.1
106.32680	1.7
107.01254	6.1
109.02830	17.0
110.00009	1.6
111.00740	9.6
113.02338	1.7
117.03304	1.7
119.03410	2.1
121.02818	2.9
123.00768	8.7
123.04369	3.0
124.01556	3.1
124.22814	1.4
124.98737	3.3
125.02344	9.2
133.02879	1.7
135.04408	2.7
136.98669	2.6
137.02321	5.5
139.00262	10.3
139.03877	2.3
141.01828	3.7
143.04927	2.9
145.02843	2.1
147.04440	2.9
148.01540	3.5
149.02391	3.4
149.99500	5.5
150.03018	1.8
151.00290	18.5
151.03857	2.8
152.00999	4.7
153.01785	7.3
159.04439	5.5
161.02345	5.4
161.05974	1.7
161.84114	1.3
163.00298	3.3
163.03836	2.9
165.01714	2.4
165.98981	3.4
166.99728	4.0
168.00607	11.3
169.01295	3.0
169.02820	1.6
171.04424	4.7
173.02325	2.6
173.04562	1.8
174.03133	2.9
175.03912	8.6
176.00972	2.1
177.01772	5.1
177.98985	6.7
178.99782	35.3
179.03336	1.8
180.00168	1.5
181.01358	3.1
181.98369	1.8
187.03935	13.0
188.04587	1.5
189.01891	8.3
189.05484	3.0
190.02567	3.3
190.99825	2.2
191.03419	3.6
192.00591	2.8
193.01331	3.3
194.99277	6.3
199.03928	6.1
201.01859	4.6
202.02724	2.7
203.03419	11.2
205.01385	2.8
205.04980	4.8
207.02998	2.6
211.04388	1.3
213.01997	2.1
214.02608	3.3
215.03493	10.0
216.04248	1.7
217.01399	3.0
217.04958	2.0
219.02879	2.9
222.98778	3.1
227.03465	4.2
229.01323	2.2
230.02164	2.3
231.03001	7.6
232.03732	7.4
233.00865	2.0
233.04498	26.5
234.04955	1.9
241.01382	3.3
242.02232	3.3
243.02969	13.9
245.00838	3.1
245.04459	2.5
247.02344	4.4
257.00851	2.5
258.01550	2.3
259.02460	11.5
260.03128	7.0
261.03995	11.1
269.00739	3.7
271.02487	17.0
272.03012	2.3
286.01141	4.1
287.01959	42.5
288.02383	8.6
289.03519	14.4
289.07132	11.8
297.00522	7.1
297.03531	2.1
298.00906	2.4
299.01794	10.3
303.01465	4.5
304.02161	2.7
305.02771	3.0
314.00717	4.2
315.01447	100.0
316.01862	8.9
317.19574	2.5
325.05597	5.4
329.05185	6.2
332.01746	19.7
333.02377	17.9
365.08817	1.8
379.02249	1.6
393.08038	1.6
421.08380	2.6
437.07202	2.2
447.06351	10.5
465.06659	69.2
466.06833	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	465.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42432	2.3
55.01762	4.4
57.03323	3.8
58.00468	2.1
59.01249	100.0
60.01585	4.2
61.01680	2.6
61.98692	7.3
63.02259	2.7
65.00197	7.3
68.99702	3.6
69.03336	3.3
70.71308	2.2
71.01247	70.7
71.01620	4.2
71.06415	2.4
71.50484	3.7
72.01588	4.3
72.99177	6.7
73.02818	25.5
74.98959	2.7
75.00746	8.3
83.01256	12.6
85.02820	28.3
86.03149	2.9
87.00774	6.6
89.02311	34.0
90.02650	2.2
90.64847	1.9
93.03324	5.5
95.01278	8.4
95.04894	2.8
96.95914	1.9
97.02842	3.9
99.00757	13.7
101.02324	46.3
102.02691	3.5
106.00536	2.7
107.01289	6.5
108.02068	5.4
109.02831	17.8
111.00773	15.3
113.02322	25.8
114.02657	2.3
119.03375	7.0
119.04922	3.3
120.99530	6.6
121.02847	3.3
123.00782	11.7
123.04408	31.3
124.01536	4.3
125.02335	17.2
131.03436	2.8
133.02855	6.1
135.00758	2.5
135.02901	11.7
135.04419	7.2
135.06546	2.1
136.98845	2.8
137.02332	12.7
137.88445	2.1
139.00279	13.6
141.01833	5.8
143.03371	5.0
143.04926	4.4
145.02872	4.8
147.04370	3.7
148.01547	3.9
149.02359	7.6
149.99545	2.9
151.00293	25.1
151.03896	2.8
152.01036	5.1
153.01831	18.8
153.05472	24.1
159.02924	3.3
159.04404	8.3
161.02347	9.6
161.04457	26.0
162.04866	5.7
163.00279	5.9
163.03804	3.7
163.04991	2.6
164.01004	2.4
165.01825	2.5
165.99011	2.1
166.02762	2.9
166.99796	5.3
167.03430	9.3
168.00557	8.3
169.01352	7.0
171.04465	4.9
173.02351	5.5
173.04521	2.9
174.03145	6.2
175.03912	13.0
176.01012	2.8
177.01852	7.4
177.05583	2.3
177.99036	7.2
178.99777	25.2
179.03427	4.1
179.05438	2.1
180.00444	2.5
183.02925	2.3
183.04463	2.4
183.10187	6.9
184.10579	5.5
185.11786	30.9
187.03922	9.6
188.04483	2.3
189.01910	10.8
189.05571	3.3
190.02585	5.2
191.03577	2.3
191.05557	8.0
193.01312	4.1
194.99226	2.7
199.03900	5.2
201.01895	5.3
203.03445	11.0
203.07240	2.2
204.00565	2.7
204.97629	2.5
205.01332	3.3
205.05141	2.4
206.99213	2.5
207.02763	2.7
209.00751	2.7
209.11768	11.5
210.12096	12.0
211.12387	3.5
213.01947	3.1
215.03471	11.6
215.11783	2.1
216.00571	4.1
216.04120	2.9
217.01309	6.0
217.04811	4.6
218.02000	3.0
219.02893	4.0
222.98888	2.7
227.03438	3.5
229.01425	4.7
230.02199	4.0
231.02983	9.3
232.00098	2.5
232.03693	12.7
233.00920	3.8
233.04533	17.8
241.05110	2.3
242.02133	4.8
243.03011	18.6
244.00000	4.6
245.00900	13.6
247.02419	3.0
257.00970	2.1
258.01633	4.8
259.02420	11.8
260.03262	3.5
261.00430	5.4
261.03958	8.1
270.99301	4.3
271.02429	28.2
271.99509	3.6
272.02530	2.9
273.00412	23.7
273.03119	4.5
274.01141	10.1
275.01767	3.3
286.01083	4.6
286.98779	3.2
287.01981	41.3
288.02658	24.4
289.03506	22.6
291.08945	3.5
295.02490	3.0
297.00455	7.1
297.11987	7.5
298.98373	6.0
299.02005	19.1
299.98953	10.6
300.02304	4.9
300.99619	7.7
301.03104	5.3
301.99893	2.2
302.03500	6.0
303.18109	3.1
311.07721	25.6
314.00623	9.1
314.98004	2.7
315.01456	77.4
315.98358	2.8
316.01825	9.5
317.19711	7.5
317.98846	3.0
325.05585	2.8
329.05234	4.1
331.17679	9.7
332.01666	17.0
332.17868	16.6
333.02386	14.2
333.18616	23.2
341.06848	4.5
365.08704	5.8
393.08429	4.5
406.05469	3.1
421.07944	30.8
422.07779	3.1
432.02826	3.6
437.07892	3.5
447.06366	9.2
448.06161	5.6
464.22049	25.0
465.06708	73.4
465.13641	2.7
465.22610	46.7
466.07040	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	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95058	0.9
59.01250	11.6
61.98701	100.0
64.75699	0.9
66.84274	0.9
69.95174	4.2
71.01254	6.5
72.01585	1.1
72.99171	2.3
73.02782	1.5
73.17202	0.9
75.00735	1.9
85.02804	2.6
87.00747	1.0
89.02293	1.7
93.03305	1.4
95.01262	3.2
98.19892	1.6
99.00743	2.2
99.04385	1.1
101.02311	3.9
108.02075	2.0
109.02814	3.3
111.00674	1.1
113.02274	2.0
123.00765	4.0
123.04388	3.3
125.02313	4.0
135.02841	1.9
135.04402	1.7
137.02336	1.9
139.00258	2.3
139.03839	1.5
151.03897	3.0
152.01041	2.2
153.01871	1.6
161.02344	1.3
161.04431	1.8
166.99794	1.2
169.01364	2.9
175.03902	2.1
179.03413	3.1
187.03870	1.1
191.05591	2.2
198.14058	0.9
201.01929	1.2
214.99583	1.0
229.01360	1.4
243.02982	1.1
270.10651	1.9
270.99005	1.6
271.10867	1.5
272.11176	1.7
273.04034	2.0
285.04153	1.0
298.98276	2.6
299.99103	4.6
300.99612	12.8
302.00101	7.7
303.04987	6.7
303.08691	3.8
322.53479	1.2
332.17645	2.1
390.39896	1.1
421.07614	1.7
464.05368	8.1
464.18594	1.7
465.06311	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	465.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33492	1.6
53.35742	1.9
54.56639	1.8
55.01753	2.2
57.03321	9.5
58.00453	1.8
59.01250	40.3
60.01596	3.0
61.98689	2.2
65.00187	5.0
65.29858	1.8
69.03337	2.4
70.79369	5.4
71.01250	45.6
72.01571	2.9
72.99176	3.6
73.02814	13.6
74.98935	1.8
75.00749	5.6
75.02264	2.2
83.01250	8.4
85.02826	21.2
87.00749	5.1
87.04379	3.4
88.53777	1.8
89.02317	18.9
92.86381	1.7
93.03344	5.9
95.01254	8.4
95.04831	1.7
96.95887	3.0
97.02827	2.6
99.00742	7.0
100.64529	1.8
101.02314	27.7
102.02643	2.1
102.98457	5.9
107.01271	2.7
108.02052	6.6
109.02817	8.8
111.00729	2.1
113.02326	17.3
114.02623	3.0
114.43308	1.8
117.03323	5.1
119.03391	5.8
119.04881	4.6
119.07004	2.5
120.99532	15.7
121.02806	8.0
122.03627	2.6
123.00745	7.1
123.04460	8.7
124.01559	5.3
125.02328	40.7
131.01274	5.6
132.02057	6.3
133.02838	7.0
135.00731	2.1
135.02888	6.3
135.04396	7.3
135.06482	2.4
136.98921	1.8
137.02350	10.7
137.05994	2.9
139.00278	2.5
139.03889	5.5
143.01259	3.1
143.03429	3.0
145.02843	13.9
147.00743	7.2
147.04298	1.8
148.01514	5.8
149.02402	8.6
150.03056	2.2
151.00269	7.9
151.03911	9.2
152.01025	8.0
153.01855	9.9
159.00735	3.9
159.02864	4.2
160.01518	8.6
161.02342	30.0
161.04422	18.5
163.00238	4.8
163.03925	4.4
166.99864	2.6
167.03448	3.3
169.01309	6.8
171.00755	4.7
172.01588	5.4
173.02342	9.0
173.04375	3.6
173.99448	2.2
174.03088	2.9
175.00224	4.4
175.03915	10.3
176.01060	10.9
177.01855	22.5
178.02512	1.9
178.99786	6.2
179.03369	8.0
179.05579	3.3
183.10178	13.6
184.10501	12.2
185.02397	2.5
185.11732	5.3
187.00255	14.3
188.01114	12.2
189.01845	31.7
189.05470	2.8
191.03419	2.5
191.05495	2.6
192.00577	2.9
199.00142	3.5
199.03935	5.2
199.13341	2.9
200.00989	3.2
201.01860	6.5
201.11224	4.6
201.98981	5.2
202.99870	8.9
203.07077	3.4
204.00575	9.1
205.01405	13.3
213.05495	2.6
213.99069	4.3
214.99789	32.2
215.03212	2.4
216.00562	21.2
217.01352	37.7
217.04880	3.8
218.99278	4.5
226.11583	2.8
226.99763	3.1
228.00591	3.7
229.01318	4.4
229.98584	3.2
230.02052	1.9
230.99268	13.1
232.00104	22.5
233.00864	22.2
241.04932	5.4
242.99321	15.7
243.02798	4.0
244.00056	15.0
245.00865	33.5
246.01405	2.8
246.98799	8.1
247.99684	4.0
251.12373	1.8
258.01788	2.5
258.98782	7.4
259.06137	3.2
259.09808	5.6
259.99591	48.4
261.00363	100.0
262.00714	5.0
267.11255	2.7
269.00708	2.2
270.98828	44.2
271.99313	2.9
273.00443	5.0
274.98428	3.9
275.02209	4.4
275.05518	4.1
275.28970	2.0
275.99097	11.6
276.99744	4.0
281.12408	16.8
284.11502	3.0
285.04037	30.1
285.12418	6.0
285.97653	22.4
286.98328	52.3
287.01645	2.7
287.99057	40.7
288.99881	35.0
290.00070	3.5
297.06116	6.2
297.11813	9.4
298.12158	6.9
298.98416	10.2
299.12408	3.6
299.99142	26.7
300.99789	28.3
302.00183	4.4
303.01654	2.2
303.05060	28.3
303.08606	5.0
309.07486	2.0
312.99875	8.6
313.97058	4.1
314.97839	19.9
315.98599	2.7
317.19608	5.6
328.99420	3.0
331.17432	2.8
331.98032	4.9
332.17914	9.2
332.98663	9.4
333.19061	10.4
361.11237	2.0
365.04962	2.4
377.05157	7.3
393.04611	26.1
394.04843	2.7
403.03366	2.6
409.04025	5.0
419.02490	23.8
421.04138	29.6
422.04471	4.9
432.03290	16.4
433.03342	2.6
437.03555	9.1
447.02017	27.2
447.17685	5.8
448.02255	4.3
464.22235	26.4
465.03000	78.6
465.10220	25.2
465.23260	16.4
466.02841	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01252	8.0
61.98691	2.1
64.10452	0.9
71.01254	1.6
71.50623	1.3
73.02807	1.0
78.95766	7.5
83.01264	1.1
89.02310	1.1
89.93973	0.8
101.02291	1.0
110.98412	5.8
113.09649	1.7
121.02879	1.6
138.03094	0.9
151.00243	2.5
161.02335	3.3
167.01028	2.9
173.02336	2.5
174.03166	6.4
185.02151	5.2
195.12132	1.2
195.13860	14.4
196.14078	1.1
197.11754	1.2
209.11760	6.5
241.14481	1.8
243.02821	1.8
255.02922	3.6
266.03302	0.9
271.02444	9.3
277.19073	1.0
277.21765	12.2
278.22192	1.4
295.22775	100.0
296.23141	8.4
299.99069	7.2
300.02725	12.9
300.99738	6.9
301.03415	9.3
330.04172	0.9
463.03839	1.8
463.09750	8.3
463.24704	19.2
463.30661	2.7
464.09515	1.1
464.24817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54424	0.3
57.03328	0.8
58.00465	0.8
59.01245	10.5
61.98699	100.0
63.09551	0.4
70.83230	0.9
71.01250	11.9
72.99182	1.1
73.02815	2.9
75.00749	1.6
81.03255	0.5
83.01257	1.1
84.52155	0.4
85.02831	4.5
87.00769	0.9
89.02312	7.1
95.01254	1.3
95.04889	5.1
96.95856	0.5
97.02838	1.0
99.00743	1.7
101.02316	9.1
107.01256	0.9
107.04900	1.2
109.02876	1.3
111.00761	0.7
112.10874	0.4
113.02325	4.7
119.03360	2.5
119.08558	0.8
121.02881	0.4
121.04967	2.8
123.00758	2.6
123.04373	0.9
125.02318	6.5
125.09634	0.4
131.03345	0.6
135.02905	0.9
135.04422	1.3
139.00264	0.9
140.01030	0.6
141.01779	0.4
143.03383	1.0
149.02313	1.5
149.04459	0.6
151.00259	1.5
151.03877	0.8
153.01871	1.0
155.10754	0.9
159.02899	0.7
161.04440	5.0
165.96222	0.4
168.00504	0.7
169.01321	6.7
172.01553	0.6
179.03401	0.8
179.05533	1.6
181.01338	0.5
181.08611	8.7
183.04167	0.6
191.05492	0.5
199.09665	1.2
200.01112	0.5
201.01581	0.6
201.11201	0.6
202.02124	0.4
211.02475	0.4
212.05054	0.8
213.05447	0.7
216.00525	0.8
217.01120	0.4
225.11320	0.6
229.01350	0.8
243.12337	0.4
243.99954	1.0
245.00415	0.9
255.99652	0.4
257.00998	0.4
272.14694	0.4
272.99802	0.9
281.46368	0.5
283.10336	14.5
284.99707	0.6
297.06332	0.4
299.95676	0.6
299.99100	14.9
300.99515	31.9
302.00174	18.6
303.00360	1.6
313.05722	1.8
314.06049	1.0
315.01193	0.9
316.01746	1.3
333.19348	2.6
374.02170	1.3
374.14145	1.9
376.11499	1.5
397.14355	0.4
405.20877	0.7
421.11368	3.7
447.08801	0.7
464.05380	30.0
464.18027	2.0
465.05634	4.1
465.10291	4.5
465.23636	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04832	0.9
55.01755	5.1
57.03315	5.6
58.00461	1.4
59.01250	82.9
60.01590	1.1
63.02283	1.2
69.03320	3.5
70.82378	2.2
71.01254	91.1
71.04879	2.1
72.01580	1.8
72.99194	4.7
73.02821	31.7
74.98970	1.9
75.00751	7.1
81.03321	2.5
83.01259	15.6
83.04912	5.0
83.05309	1.0
84.02021	1.3
85.02823	41.0
86.03182	1.2
87.00764	5.5
89.02320	32.5
92.63461	1.0
93.03356	2.8
95.01273	6.2
95.04914	1.7
97.02829	4.3
97.06503	1.2
99.00750	16.0
99.04413	1.5
101.02323	59.7
102.02647	2.3
103.03900	1.3
107.01250	4.1
107.08527	1.0
108.02050	2.6
109.02818	3.8
111.00731	2.8
113.02326	32.9
113.03074	1.9
114.02693	1.0
115.03875	2.3
117.03297	1.3
119.03391	7.2
119.04879	1.4
121.02840	3.5
121.10121	14.6
123.00768	2.2
124.01534	6.7
125.02335	8.7
129.01820	1.4
131.03404	2.9
133.02840	15.5
135.00809	1.1
135.02901	11.7
135.04411	9.4
135.06538	7.2
137.02356	2.1
139.00270	1.1
139.03909	3.2
139.11194	3.1
143.03397	4.9
145.02769	1.3
148.01582	2.0
149.02383	1.7
149.04451	3.4
149.05969	1.0
151.00276	14.2
152.99001	1.1
153.09111	1.3
159.02907	6.1
159.04350	1.3
160.01546	1.2
161.02356	39.8
161.04475	46.0
162.02705	2.9
163.00279	3.3
163.11198	3.6
165.09135	1.4
165.12807	1.2
169.06557	1.1
171.04350	1.2
173.04482	2.2
173.05923	1.3
177.01863	2.8
178.99802	7.7
179.03426	3.3
179.05534	2.8
181.08586	1.4
183.10202	75.6
184.10568	5.2
185.02361	1.1
187.03929	1.7
191.03529	1.3
191.05618	2.4
197.09647	4.5
197.11601	1.1
199.04033	2.0
201.01895	1.3
203.03419	1.5
205.03508	1.3
205.88458	0.9
209.11781	79.4
210.12079	5.0
211.03944	1.3
213.02061	1.5
215.03468	1.5
216.00630	3.2
216.04285	1.0
217.24298	1.1
225.11153	2.0
226.02721	2.3
227.03505	3.4
227.12808	14.3
228.13165	1.3
233.06665	2.5
237.09744	2.7
241.08601	1.3
242.02005	1.3
242.99249	1.9
243.02959	12.7
244.00131	3.2
253.09261	9.2
254.02144	3.5
255.02960	28.1
256.03375	1.9
257.01031	1.1
258.11868	1.0
270.98944	9.5
271.02469	61.2
271.99521	6.3
272.02896	6.2
273.04135	1.2
279.10870	2.4
281.12448	1.0
283.02289	1.6
285.00369	1.9
286.01187	1.1
286.98483	2.9
287.01993	8.3
293.08817	1.2
297.11911	22.4
298.12399	1.7
298.98471	6.3
299.01697	1.8
299.99152	12.9
300.02689	100.0
300.99899	7.2
301.03400	50.3
301.06552	1.6
301.10745	2.0
301.16425	2.2
302.03845	3.8
303.01352	1.6
312.99826	3.1
314.97882	3.4
315.01511	2.6
315.98611	7.6
316.02267	2.9
317.02936	1.4
323.07712	3.4
328.99393	1.3
330.00018	2.1
331.00903	5.7
331.17609	60.3
332.18118	4.2
345.09811	1.2
432.03226	2.2
433.03580	1.2
463.08527	47.8
463.21860	74.4
464.09033	7.9
464.22122	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	463.2183
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01748	3.1
57.03320	4.4
58.00456	2.6
59.01247	94.7
59.09435	0.7
60.01573	0.9
69.03314	2.4
71.01249	100.0
71.51373	1.4
72.01572	1.0
72.99172	4.2
73.02814	23.3
74.98965	1.1
75.00755	4.1
81.03323	1.5
83.01255	9.4
85.02816	24.9
87.00743	6.1
87.04380	1.2
89.02309	91.5
90.02654	1.1
93.03335	2.5
95.01265	7.4
97.02837	4.6
99.00755	22.7
101.02319	69.2
102.02642	1.4
107.01257	1.6
108.02042	2.9
109.02833	4.4
109.99974	1.2
111.00751	2.8
113.01524	1.4
113.02323	28.2
115.03888	2.9
117.03318	1.3
119.03387	16.6
119.04871	1.2
120.87904	1.1
120.99516	1.2
121.02851	0.9
123.00780	1.1
124.01543	1.2
125.02331	12.9
131.03386	22.3
133.02823	2.4
135.02910	5.4
135.04367	1.4
136.98950	1.2
137.02335	2.0
139.00250	2.1
139.03925	0.9
140.01056	1.4
143.03387	5.9
145.02826	3.1
149.04453	60.0
151.00301	4.7
151.03889	1.7
151.11130	1.1
152.01004	3.5
152.03410	0.9
153.01743	1.8
155.03328	1.3
159.02895	3.3
159.04453	0.9
161.02434	4.4
161.04453	30.4
162.04782	1.1
163.00224	1.6
169.12244	1.5
171.04419	1.2
173.04529	1.4
175.03828	1.7
178.99750	4.8
179.05513	5.7
183.04572	0.9
183.10118	1.6
191.05502	12.0
193.05034	0.9
197.09634	2.5
199.03888	1.7
209.11740	3.7
215.03502	1.9
215.05493	1.0
221.06548	2.2
225.01875	0.9
227.03407	2.7
227.12891	2.1
233.06546	4.6
241.04977	1.4
243.02968	5.3
245.04350	1.3
251.07687	5.7
253.09349	1.2
255.02933	8.5
257.11789	1.2
259.02466	1.4
271.02460	20.8
272.02927	3.4
273.03995	1.7
287.02008	1.6
288.02673	1.2
293.08804	5.0
299.01901	9.6
299.99103	2.6
300.02649	20.4
300.99884	2.3
301.03439	12.0
301.06955	1.9
301.10791	2.0
302.03604	1.1
313.03384	1.0
315.17960	1.4
316.02203	13.6
317.02948	13.2
318.03479	1.3
323.01804	1.1
331.17581	44.1
332.17850	3.5
375.09229	1.0
382.61823	1.0
463.08679	32.1
463.21765	64.2
464.08801	4.0
464.21918	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	4.2
57.03313	5.3
58.00438	3.1
58.95187	0.9
59.01249	92.9
59.28562	0.9
61.98706	13.0
63.02253	1.0
67.33054	0.9
69.03295	3.2
69.73338	5.7
71.01251	100.0
71.04877	1.7
72.01562	1.5
72.99173	7.7
73.02817	25.3
75.00712	4.3
81.03304	2.2
83.01253	11.3
83.04833	1.0
85.02821	31.6
86.03153	1.3
87.00755	6.3
89.02312	78.3
93.03297	3.5
95.01252	6.3
97.02826	5.1
98.19890	1.8
99.00746	22.7
99.04362	2.2
101.02319	67.2
108.02031	1.5
108.04327	1.1
109.02759	2.6
111.00726	1.6
113.02334	31.4
114.02602	1.2
115.03860	4.5
117.12621	0.9
119.03387	18.7
120.99477	3.3
121.02764	1.7
123.00717	1.8
123.04335	1.2
124.01500	1.1
125.02331	16.5
126.02673	0.9
127.03860	1.3
129.01784	1.8
131.02475	1.4
131.03391	18.5
135.02847	1.3
135.04428	4.4
137.02313	4.7
143.03416	7.9
149.04457	26.3
151.00261	4.5
151.03844	1.2
159.02901	4.3
159.04025	1.0
161.02228	2.6
161.04453	35.4
162.04831	1.2
163.00189	1.5
163.03831	1.0
165.01801	1.5
167.03270	1.0
167.05992	0.8
169.12143	1.4
170.25058	0.9
173.04541	2.1
175.03810	4.0
178.99643	2.1
179.03308	1.2
179.05606	5.2
183.10126	1.5
187.03931	1.4
191.05501	13.8
199.03793	1.6
201.17166	0.8
202.02563	1.9
205.03204	2.1
205.04977	1.3
211.03839	1.3
221.06433	3.9
226.02628	1.1
227.03365	1.2
233.06630	7.7
233.22583	0.9
242.02266	0.9
243.02791	4.1
251.07419	1.6
255.02979	7.9
256.03412	1.7
257.03369	3.0
257.12897	1.6
271.02475	13.3
283.02209	3.3
284.02765	2.3
285.02896	3.0
289.07043	1.5
293.08600	3.6
298.01031	1.2
299.98926	6.4
300.02521	20.4
300.05902	0.9
300.99622	4.8
301.03235	15.2
301.06949	2.7
301.10931	3.2
302.03775	1.7
315.18073	1.9
316.01862	1.7
331.17599	65.7
331.41568	1.0
332.17975	5.2
345.22891	1.1
375.10623	1.2
403.22977	4.2
463.09055	15.1
463.21420	48.0
464.08649	2.1
464.21902	4.5
466.31351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
57.03320	19.7
58.00480	1.5
59.01247	53.5
61.98690	1.0
69.03326	2.1
69.75159	6.5
71.01250	80.6
72.01594	1.1
72.99189	3.6
73.02819	29.1
75.00742	4.5
81.03321	1.7
81.21385	1.2
83.01254	8.4
85.02820	30.2
86.03210	1.0
87.00765	3.8
89.02312	35.3
93.03339	2.4
95.01241	4.9
97.02816	2.9
98.19886	1.7
99.00757	12.6
101.02323	60.0
103.03876	1.4
109.02847	1.9
111.00776	1.5
113.02332	34.4
115.03894	2.0
117.05499	1.3
119.03387	10.5
119.04917	4.3
121.02852	4.4
124.48435	1.2
125.02352	6.4
125.05952	5.6
129.01842	2.0
131.03383	4.0
135.04388	1.7
135.06520	12.5
137.02350	1.8
139.07552	4.2
143.03387	5.8
143.89670	1.0
149.04449	3.0
151.00287	1.2
151.03839	1.1
159.02907	4.9
159.04268	1.0
161.02438	1.3
161.04463	33.3
161.05844	1.6
167.07050	3.5
169.01396	1.0
171.04515	1.5
175.03896	1.4
176.04225	1.5
177.04233	1.2
179.05579	3.5
181.08621	1.2
183.10188	68.3
184.10471	3.1
189.05539	3.6
191.05623	1.5
197.11768	3.9
201.07672	1.2
214.33852	1.0
214.99873	1.1
225.11287	2.7
233.06636	3.4
244.00185	1.2
265.88037	1.0
271.02454	8.5
272.02722	1.4
279.10818	6.9
286.98199	1.4
297.11877	37.9
297.15021	2.1
299.01859	8.0
299.99100	9.4
300.02301	2.1
300.99860	8.8
301.03293	1.5
316.02164	1.6
331.13657	2.0
331.17615	33.7
332.18082	2.9
463.05304	3.3
463.21924	100.0
464.22318	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.3
57.03323	5.4
58.00461	1.9
58.85547	0.4
59.01248	37.3
61.47517	0.5
61.98714	0.6
65.00187	0.9
65.21128	0.5
68.08631	0.5
68.99662	0.6
69.03316	2.3
71.01251	81.3
71.04895	0.7
71.58668	0.5
72.01590	1.2
72.66125	0.4
72.99173	3.7
73.02819	28.0
74.98991	0.7
75.00747	2.8
80.02555	0.6
81.03326	2.1
83.01255	9.1
83.04897	2.5
84.02044	0.6
85.02822	33.1
85.99984	0.6
86.03153	0.7
87.00744	5.0
87.04382	1.6
89.02313	24.3
93.03323	0.5
95.01264	6.2
95.04906	0.8
97.02834	3.5
99.00755	11.8
99.04403	1.5
101.02320	47.3
102.02641	0.9
107.01260	1.4
107.04892	0.5
108.02053	1.6
109.02832	2.1
109.06462	0.5
111.00773	1.4
113.02328	28.1
114.02635	1.0
115.03902	2.1
117.05492	0.8
119.03400	4.2
119.04900	0.7
120.99556	2.5
121.02859	1.2
122.03632	1.4
123.00796	0.9
123.04431	0.7
125.02332	7.3
129.01796	1.3
131.03391	5.6
131.04948	0.5
133.02806	0.8
135.02870	1.0
135.04408	4.4
135.06496	1.4
136.98917	0.8
137.02342	2.3
137.06006	1.0
139.00252	1.2
139.03882	0.5
139.07593	0.6
139.11162	1.1
143.03377	4.0
145.02863	0.9
149.04471	5.6
151.00282	3.8
152.01067	0.6
153.01733	0.5
159.02910	5.4
159.04262	1.0
161.04460	38.9
162.04765	1.0
163.00317	0.7
163.11220	1.3
164.98213	0.6
165.05463	0.5
165.09012	0.6
165.12756	0.6
166.99767	1.3
169.01254	0.5
171.04297	0.7
173.04498	0.8
174.03110	1.0
175.03954	1.0
177.01813	0.5
178.99776	2.7
179.03331	0.6
179.05508	1.2
183.10208	3.7
187.03909	0.8
189.01881	0.8
189.05586	0.7
191.05565	2.3
195.59106	0.5
197.25679	0.6
201.01888	0.7
201.11316	1.4
203.03481	1.0
205.03517	1.6
209.11775	39.5
210.12154	2.5
211.03929	1.0
213.01982	0.8
215.03456	0.7
225.11198	2.4
226.02689	0.6
227.03387	1.1
227.12857	5.7
229.01474	0.6
231.02940	0.9
233.06639	3.0
243.02896	3.3
243.12387	1.0
244.00166	0.7
245.04463	0.7
253.09271	5.0
254.02275	0.6
255.02959	6.9
256.03598	0.6
257.00854	0.6
257.04550	0.6
258.01678	0.5
259.02457	0.8
270.99323	1.0
271.02454	14.4
271.99969	0.5
272.02899	2.6
274.01215	0.7
279.10748	0.8
283.06128	0.6
285.00491	1.0
286.01169	1.0
286.98660	1.0
287.01959	2.6
287.04962	0.9
289.07227	0.6
293.08813	2.1
297.07016	0.6
297.11905	4.6
298.98352	1.2
299.01575	0.5
299.99152	3.9
300.02658	20.3
300.99854	3.2
301.03494	12.0
301.06973	1.0
302.00558	1.1
302.03802	1.1
303.01584	1.6
312.99792	1.1
314.98038	1.1
315.01520	1.2
315.98605	3.0
316.02203	1.2
325.06793	1.6
330.00256	1.3
331.00882	5.4
331.17615	38.0
332.01651	0.6
332.17889	3.5
375.16425	0.9
419.06558	0.7
432.03372	0.9
463.09763	17.1
463.21826	100.0
464.10254	2.6
464.22070	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53589	1.7
52.22553	1.9
57.03315	4.2
57.64157	2.0
58.00466	3.9
59.01248	100.0
61.98698	10.7
63.13033	2.0
69.36839	8.5
69.37267	9.0
71.01249	57.4
71.04860	2.0
72.99152	5.9
73.02807	5.8
75.00738	4.3
83.01264	4.1
84.24106	2.1
85.02827	12.8
87.00742	4.8
89.01761	3.1
89.02315	59.0
94.44583	1.7
95.01244	5.5
99.00754	4.4
101.02317	29.2
108.02039	2.3
108.06577	1.8
109.02843	2.7
113.02331	21.1
119.03408	20.9
125.02309	3.0
125.05798	2.3
131.03400	5.7
135.02850	3.2
135.04385	4.1
139.07530	6.1
143.03473	2.6
145.02849	2.4
149.04399	3.0
153.11266	2.0
161.04433	8.8
177.05453	2.3
179.03271	2.3
179.05496	13.1
179.10611	3.7
205.12305	3.9
205.71898	1.9
223.13391	5.2
241.14380	11.3
270.10532	2.9
271.10803	3.4
277.25714	2.3
299.99118	31.8
300.99860	25.8
302.00244	3.2
331.17505	7.9
391.52942	2.0
403.19656	17.8
404.20288	4.4
424.35226	1.9
457.13797	2.0
463.04935	18.2
463.21625	6.9
464.05289	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.3
57.03323	7.4
58.00455	2.5
59.01250	75.6
65.00185	1.1
68.99697	1.0
69.03315	2.7
71.01251	98.8
71.04892	1.5
72.01583	1.4
72.99172	3.6
73.02817	33.4
73.24732	0.8
74.03147	1.0
74.98972	1.0
75.00744	5.1
81.03342	2.9
83.01255	14.9
83.04903	4.2
84.02041	1.3
85.02820	42.5
87.00727	5.3
87.04385	0.9
89.01765	1.3
89.02316	25.9
93.03333	1.7
95.01263	6.5
97.02821	3.5
99.00756	15.8
99.04370	1.2
101.02319	70.9
102.02666	1.8
107.01283	1.9
108.02045	1.9
109.02822	3.5
111.00784	2.0
113.02326	37.9
114.02701	0.9
115.03899	3.5
119.03397	5.7
121.02869	1.7
121.10128	8.7
122.15469	0.8
123.00780	1.0
124.01566	3.6
125.02347	6.5
129.01790	1.4
131.03406	4.3
133.02872	5.7
135.02872	6.1
135.04414	3.1
135.06531	3.6
139.00261	1.2
139.03932	1.4
139.11139	1.6
143.03447	5.4
149.04449	3.0
150.44884	0.7
151.00256	8.0
152.00995	1.1
153.01811	1.0
159.02879	7.4
161.02423	13.9
161.04456	55.1
162.04755	2.1
163.00319	1.6
163.11176	2.9
165.12802	1.3
169.01379	0.9
174.03206	0.9
177.01787	1.4
178.99814	4.9
179.03343	1.4
179.05502	2.5
183.10184	53.7
183.32388	0.9
184.10559	2.6
191.03586	1.1
191.05531	2.1
191.10777	0.9
205.03447	2.0
209.11768	88.9
210.12056	5.4
216.00566	1.3
216.04204	1.0
225.11273	1.2
227.03581	1.7
227.12820	12.5
228.13100	1.3
229.01564	1.1
233.06619	2.4
237.09663	4.0
241.14285	0.9
242.01955	0.8
242.99225	1.0
243.02986	6.1
244.00113	2.0
253.09258	10.0
254.02190	2.0
255.02982	15.3
256.03363	1.4
257.11868	0.9
270.98883	5.5
271.02472	35.3
271.99554	3.7
272.02890	3.9
279.10815	1.2
285.00421	1.6
286.01297	1.6
286.98492	1.7
287.01947	5.9
293.08939	1.3
297.11884	14.7
298.98251	3.2
299.01508	1.2
299.99103	6.8
300.02686	55.6
300.99875	3.2
301.03403	33.5
301.06982	1.9
301.10794	1.6
302.03830	3.0
303.01447	1.2
313.00082	1.8
314.97757	1.5
315.01294	1.9
315.98572	3.8
316.01935	1.1
323.07733	1.3
330.00351	1.3
331.00781	3.7
331.17618	81.5
332.17966	7.7
388.77243	0.9
419.06152	0.9
432.03351	2.2
433.03946	1.5
443.09543	1.0
447.05005	1.1
463.08957	36.2
463.21838	100.0
464.09305	4.4
464.22186	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	463.2199
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01756	4.5
57.03329	4.4
58.00474	3.6
59.01251	90.9
61.98705	2.0
67.01782	0.8
68.99696	0.7
69.03325	2.6
71.01254	100.0
72.01581	1.4
72.99179	4.9
73.02821	27.7
74.98991	0.6
75.00748	3.3
81.03360	1.5
83.01260	10.1
85.02827	32.3
85.50889	0.6
87.00744	4.5
89.02317	80.8
90.02698	1.4
93.03326	1.7
95.01267	6.0
97.02828	5.6
99.00758	23.6
99.04388	1.6
100.01127	1.0
101.02324	67.1
101.06008	0.8
102.02660	1.8
109.02877	1.5
111.00742	1.6
113.02334	31.3
114.02679	0.8
115.03895	3.4
119.03389	17.1
119.04854	1.0
120.99528	0.9
121.02816	0.8
123.04425	1.1
125.01453	1.2
125.02339	17.4
129.01820	1.4
131.03403	16.9
135.04420	2.3
137.02341	1.7
143.03415	7.7
149.04474	24.1
151.00273	2.3
151.03911	1.0
151.11214	0.7
159.02953	3.7
159.04062	0.7
161.02385	1.2
161.04472	33.0
162.04781	0.9
163.03938	1.4
164.97092	0.6
169.12218	0.8
172.07675	0.6
173.04500	1.1
173.05893	0.6
175.03897	2.6
178.99730	0.9
179.05562	4.4
191.05537	10.5
199.03865	0.8
203.03534	0.7
221.06615	3.0
227.03435	0.7
233.06645	8.4
234.06885	0.7
241.14592	0.8
243.02875	2.1
251.07664	2.2
255.02902	2.7
270.01736	0.8
271.02487	7.1
272.02921	1.1
283.02304	1.1
284.02777	1.3
285.03284	0.9
289.07211	1.0
293.08810	4.2
299.99039	4.3
300.02692	10.9
300.99826	2.4
301.03369	6.7
301.07043	4.2
302.03790	0.7
315.18045	2.3
331.17624	57.8
332.17957	5.7
463.09363	7.2
463.21652	44.1
464.16544	0.7
464.22037	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	463.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16912	0.7
58.00328	0.8
58.00578	1.2
59.01058	3.0
59.01389	5.8
61.98498	1.5
61.98842	2.8
66.45355	0.8
71.01418	3.7
73.02918	0.8
75.00917	3.1
77.03048	0.8
83.01356	0.8
85.02365	0.9
85.02921	1.0
87.00886	1.1
87.65715	0.7
89.01992	0.9
89.02494	2.1
93.16967	0.7
100.21025	0.8
101.02518	2.6
113.02498	1.4
121.28859	0.8
135.03072	0.9
135.04567	0.8
136.99165	1.2
146.06133	1.7
151.00401	1.5
161.04619	1.3
172.01706	1.1
172.08937	1.4
179.03598	1.1
191.05672	1.9
195.93275	0.8
198.06654	10.8
204.06815	1.4
214.10062	2.4
216.00769	1.9
228.00705	1.1
229.01540	0.9
241.07260	69.7
242.07828	18.4
242.99567	0.9
243.08757	9.7
244.00175	1.8
256.09933	2.9
257.10364	3.9
273.00568	0.8
285.09921	7.9
298.98535	1.0
299.11636	2.3
299.99118	46.4
300.99860	33.1
301.03259	2.0
302.00455	2.2
311.11630	1.9
315.01517	0.9
329.15207	2.3
353.12622	1.1
358.12793	1.0
359.13425	1.2
373.02011	1.0
373.14011	9.8
376.13947	2.8
377.14731	5.3
385.14224	1.4
401.14569	5.3
403.15192	1.0
419.15704	100.0
420.15930	10.6
420.21100	1.1
463.05093	37.1
463.17673	4.1
464.05072	4.4
471.00476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53589	1.7
52.22553	1.9
57.03315	4.2
57.64157	2.0
58.00466	3.9
59.01248	100.0
61.98698	10.7
63.13033	2.0
69.36839	8.5
69.37267	9.0
71.01249	57.4
71.04860	2.0
72.99152	5.9
73.02807	5.8
75.00738	4.3
83.01264	4.1
84.24106	2.1
85.02827	12.8
87.00742	4.8
89.01761	3.1
89.02315	59.0
94.44583	1.7
95.01244	5.5
99.00754	4.4
101.02317	29.2
108.02039	2.3
108.06577	1.8
109.02843	2.7
113.02331	21.1
119.03408	20.9
125.02309	3.0
125.05798	2.3
131.03400	5.7
135.02850	3.2
135.04385	4.1
139.07530	6.1
143.03473	2.6
145.02849	2.4
149.04399	3.0
153.11266	2.0
161.04433	8.8
177.05453	2.3
179.03271	2.3
179.05496	13.1
179.10611	3.7
205.12305	3.9
205.71898	1.9
223.13391	5.2
241.14380	11.3
270.10532	2.9
271.10803	3.4
277.25714	2.3
299.99118	31.8
300.99860	25.8
302.00244	3.2
331.17505	7.9
391.52942	2.0
403.19656	17.8
404.20288	4.4
424.35226	1.9
457.13797	2.0
463.04935	18.2
463.21625	6.9
464.05289	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	463.0881
Annotation	Corniculatusin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03312	1.2
59.01246	20.6
61.98703	2.7
65.00193	3.4
69.03329	1.5
69.22714	9.3
69.23115	2.5
71.01254	8.3
72.99197	1.9
73.02831	1.4
83.01270	2.3
85.02838	3.2
88.40961	1.0
89.02319	5.2
93.03345	2.5
94.40226	1.1
95.01266	1.5
97.02828	1.6
98.19713	1.9
99.00776	1.3
101.02319	5.2
107.01248	1.7
109.02840	9.1
109.06499	1.4
110.00005	3.1
113.02348	2.7
121.02856	2.8
121.88632	1.1
123.00791	1.1
123.04419	1.2
124.01535	1.9
125.02366	5.6
133.02847	1.4
135.04428	2.5
136.01588	4.4
136.98712	1.9
137.02325	5.4
139.00259	2.6
139.03920	3.0
145.02960	1.1
147.00748	1.7
147.04495	1.1
148.01558	2.5
149.02324	7.8
149.99544	1.7
151.00284	7.1
153.01836	12.9
159.04442	3.4
161.02371	3.6
161.04454	1.7
163.00290	3.0
163.03944	1.5
164.01053	6.0
164.98170	7.7
165.01828	19.9
165.98982	5.8
166.02631	3.8
167.03407	3.6
167.10713	2.3
168.11037	1.7
169.01328	2.5
171.04518	3.0
173.02464	1.4
174.03200	1.7
175.00311	4.8
175.03893	3.9
176.01080	1.6
177.01881	1.4
177.99025	1.8
178.99754	12.0
179.03427	1.5
180.00586	3.2
181.01282	1.3
185.02438	1.5
187.03955	5.2
189.01889	3.3
190.99879	1.6
193.01395	7.8
195.02936	1.4
197.04485	1.8
198.03165	3.7
199.03996	3.7
200.01173	1.3
201.01884	3.2
202.02818	1.4
203.03384	2.2
209.11797	4.3
213.01836	2.0
214.02657	3.2
215.03407	9.4
222.01653	1.8
226.02661	8.6
227.03436	3.6
229.01392	3.3
231.02988	5.7
241.01447	3.1
241.05132	1.9
242.02184	7.9
243.02937	14.8
244.03702	3.2
245.00873	2.0
254.02214	8.3
255.02957	6.9
256.03625	2.8
257.04645	2.2
258.01782	1.8
259.02411	8.6
269.04599	6.9
270.01614	10.4
271.02466	61.5
272.02917	6.4
273.03809	1.8
283.19360	1.4
285.04025	24.9
286.01440	1.9
286.04852	4.4
287.01971	58.3
287.05200	3.0
288.02359	5.3
297.00632	1.7
298.01205	3.2
299.02048	4.0
299.99213	10.0
300.02829	17.3
300.99902	8.2
301.03571	12.8
301.07077	1.7
301.20276	3.3
302.04102	3.7
303.04968	3.7
305.32159	1.1
313.03519	37.3
314.03986	5.6
315.01453	93.3
316.02094	20.6
330.03778	100.0
331.04541	75.7
331.08673	1.2
332.04898	6.3
350.08786	1.2
463.08975	98.6
463.25653	3.3
464.09271	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00724	0.7
51.46961	0.9
59.01247	1.3
70.90459	0.7
71.01248	1.3
81.39889	0.8
89.02290	0.7
89.69167	0.8
89.83729	0.7
95.76604	0.7
103.81635	0.9
107.01275	1.2
109.02824	1.6
124.73153	0.8
125.02355	1.2
126.76713	0.8
130.56647	0.7
137.02345	4.1
151.00298	1.7
159.66293	0.7
163.00294	1.2
165.01825	10.2
171.04440	0.9
174.99989	0.8
178.99757	0.8
187.03944	1.7
191.03302	0.7
193.01379	4.1
203.03410	2.3
215.03450	2.1
229.36624	0.8
231.03011	2.1
241.01323	3.2
242.02196	1.2
243.03001	6.4
259.02374	7.4
260.02841	0.8
270.01746	3.1
271.02499	3.7
284.03168	0.8
285.03934	5.2
287.01959	64.9
288.02325	5.4
301.03635	1.3
313.03329	1.0
314.97668	1.9
315.01459	75.7
316.01920	9.7
330.03796	100.0
331.04443	31.1
332.04984	2.5
463.08813	65.7
463.21909	2.1
464.09122	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.7
64.68719	0.5
65.00201	0.8
71.01254	0.9
89.02293	0.7
97.02827	0.4
101.02293	0.7
107.01222	0.5
109.02811	1.2
113.02328	0.4
124.01495	0.4
125.02322	1.4
136.01521	0.6
137.02321	3.6
143.05013	0.5
147.04391	0.5
149.02284	0.4
151.00285	1.7
159.04285	0.5
163.00298	1.2
164.01164	0.5
165.01840	6.5
171.04404	0.4
173.02351	0.7
178.99770	0.5
179.03491	0.5
187.03899	1.3
189.01984	0.4
191.03383	0.7
193.01361	2.4
197.02409	0.5
199.03922	0.7
203.03427	2.1
213.01877	1.1
215.03409	3.0
231.02946	2.4
241.01335	2.3
242.02155	1.6
243.02914	6.1
255.02881	1.2
258.01605	0.7
259.02432	6.2
260.02945	0.5
269.00867	1.0
270.01633	2.2
271.02478	4.9
272.02853	0.4
273.03629	0.5
284.03195	1.1
285.03986	4.3
286.01050	0.8
286.04227	0.7
287.01953	66.3
288.02319	4.9
297.00388	0.7
299.99335	0.7
300.02640	3.9
301.00406	0.6
301.03357	2.6
302.04010	0.5
315.01440	82.4
316.01862	10.2
317.02948	0.4
330.03778	100.0
331.04413	24.2
331.17380	0.6
332.04990	1.6
463.08795	63.4
464.09109	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36081	1.3
71.07984	1.2
71.08324	3.0
83.01257	1.6
88.57806	1.1
99.48540	1.2
101.80509	1.2
102.84953	1.2
107.01275	5.1
108.02060	2.0
109.02824	1.6
111.26258	1.2
121.02837	3.4
135.00766	2.2
148.01546	2.0
149.32036	1.3
151.00270	16.4
161.09418	1.2
163.00221	3.2
178.99765	6.9
195.00607	1.2
199.04047	1.9
211.03853	2.5
216.04219	1.4
226.02713	3.5
227.03441	6.1
237.43010	1.2
243.02968	21.2
245.04503	2.5
254.02203	4.7
255.00275	2.4
255.02966	42.2
255.07031	1.6
256.03372	3.6
271.02472	99.0
272.02945	11.7
274.28253	1.4
299.02127	3.5
300.02737	100.0
301.03436	41.4
302.03842	3.4
317.03070	1.2
456.18478	1.3
463.08820	50.4
464.09134	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	463.0881
Annotation	6-Hydroxytricetin 5-rhamnoside
Peak:m/z	Relative Intensity
53.99742	0.5
55.01736	1.0
55.77631	0.7
57.03312	0.8
59.01244	9.7
62.44485	0.6
65.00191	2.5
67.01753	0.7
71.01249	12.7
71.50655	1.0
71.51060	0.7
72.12263	0.5
72.99169	0.6
73.02813	3.7
81.13279	0.8
82.00511	0.6
83.01246	1.5
85.02821	4.5
87.00740	1.3
89.02316	4.7
93.03311	1.1
95.01263	4.2
99.00751	2.1
101.02325	8.0
102.36446	0.6
107.01233	3.7
108.02028	2.3
109.02850	9.2
109.99981	6.8
111.00761	4.6
113.02313	4.7
113.75511	0.7
113.79740	0.6
119.03371	1.5
121.02861	1.5
121.10123	1.1
123.00751	6.0
124.01593	3.2
125.02329	4.4
135.00793	1.1
135.04387	0.8
135.06491	1.3
136.01566	1.6
136.98679	1.8
137.02348	3.8
137.05922	0.7
137.99452	2.5
139.00266	8.2
139.03828	0.9
143.03360	0.6
143.04884	0.8
145.02872	1.1
146.03564	0.8
147.04430	1.0
148.01530	1.8
149.02293	1.5
149.04399	1.5
151.00269	14.8
152.01050	7.9
153.01851	4.5
159.02985	0.7
159.04367	1.6
161.02298	1.5
161.04456	7.0
162.03159	0.8
163.00247	5.6
163.03915	1.1
164.00989	3.2
165.01788	1.4
165.98952	6.1
166.99736	4.3
169.01424	0.8
171.04414	2.3
171.44185	0.7
173.02292	1.0
173.05893	0.9
174.03101	1.0
175.03886	2.1
177.01823	0.6
178.99763	12.1
179.05505	0.7
180.00212	1.0
181.01317	1.4
181.04950	0.8
183.03000	0.6
183.04448	1.9
183.10146	4.4
187.03908	3.5
188.04660	1.0
189.01799	1.9
190.02557	1.1
190.99779	1.5
191.03447	0.6
191.05548	2.0
193.01305	0.7
194.99184	0.7
197.02336	0.7
198.03165	1.0
199.03903	5.2
200.04588	1.0
201.01823	1.9
201.05516	0.9
202.02632	1.1
203.03435	3.6
203.94878	0.6
205.01291	1.2
206.99312	1.2
208.00075	1.3
209.11761	2.5
211.03839	1.2
213.01828	0.8
214.02606	2.4
215.03395	5.0
216.04112	1.7
217.01363	1.0
217.05089	1.2
218.02185	0.6
219.02919	0.9
226.02672	1.8
227.03455	6.2
228.04199	1.1
229.01332	1.0
230.02052	0.7
231.02922	5.4
232.03629	1.4
241.01329	0.7
241.04926	1.2
242.02089	4.4
243.02936	10.4
244.03566	2.2
245.04521	2.4
247.02344	1.0
254.02036	0.8
255.02971	7.8
257.08188	0.8
259.02435	4.5
260.03009	2.2
270.01672	5.5
271.02457	45.1
272.03021	7.1
273.04013	11.1
274.04391	0.7
275.01862	0.8
281.06601	0.9
287.01947	12.0
288.02698	8.5
289.03381	2.5
297.11911	4.2
298.01157	2.2
299.01935	34.7
300.02548	5.6
301.03445	2.6
301.06738	1.0
315.01477	2.3
315.69751	0.8
316.02194	73.9
317.02972	79.7
318.03369	6.6
331.17572	8.4
445.07825	1.5
463.08771	100.0
463.21802	11.4
464.09106	12.9
464.21826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58571	0.4
59.01253	0.8
59.35666	0.4
61.98696	0.8
67.85445	0.4
70.99216	0.7
70.99577	0.9
106.24017	0.4
109.31470	0.4
113.02298	0.4
114.21757	0.4
172.01569	1.4
185.02318	0.4
186.91377	0.5
199.00293	0.5
200.01082	1.1
201.01915	0.5
204.23547	0.5
216.00575	1.5
228.00728	0.8
229.01410	1.5
242.99321	0.9
244.00128	1.9
245.00803	0.8
245.77234	0.4
257.00906	1.2
271.99622	1.9
282.98807	1.1
283.99597	1.8
299.99103	100.0
300.99850	86.1
302.00241	6.4
327.06433	0.5
375.10931	0.4
463.05170	93.7
463.99356	0.8
464.05499	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	463.052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73980	1.0
55.01749	1.4
57.00324	1.1
57.03301	1.8
59.01248	27.2
65.00181	1.1
69.03307	1.4
69.49463	7.2
71.01250	24.7
73.02815	7.4
83.01229	3.2
83.82884	1.0
85.02816	10.2
87.00711	2.2
89.02306	15.5
93.03340	1.2
95.01263	1.2
97.02811	1.3
98.20542	1.5
99.00719	3.2
101.02331	15.7
103.56727	1.2
109.02811	2.8
111.00721	1.4
113.02341	7.9
119.03349	3.2
122.48543	1.0
125.02280	3.8
131.03415	8.7
132.02013	1.1
135.02908	5.3
135.06488	2.3
139.11142	2.5
143.03421	1.5
147.00720	2.0
149.04408	3.4
151.00227	3.7
159.00790	2.0
160.01520	1.6
161.04451	9.0
163.00293	1.2
171.00754	2.1
172.01462	1.5
177.01811	1.4
178.99695	1.5
179.05457	1.1
183.10178	12.7
187.00243	4.1
188.00786	1.2
191.05429	2.1
197.09564	1.5
197.99512	1.2
200.01057	3.4
201.01654	1.8
209.11758	5.0
214.99835	6.4
216.00496	5.6
225.31882	1.1
227.12708	2.0
228.00641	1.5
229.01230	1.7
230.99248	2.6
232.00008	1.6
242.99341	14.9
243.02870	2.9
244.00096	7.2
253.09236	1.3
255.02956	5.5
257.00677	1.8
258.98727	2.2
259.02484	1.9
259.99588	1.3
269.97949	4.2
270.98709	57.6
271.02292	14.0
271.05292	1.4
271.99493	10.1
282.98700	1.4
283.99554	2.0
285.00299	3.2
285.98068	1.4
286.01193	17.6
286.98169	17.5
287.01752	8.8
287.98712	1.6
297.11874	7.4
297.97421	5.3
298.00992	3.2
298.98337	35.5
299.98929	49.4
300.02631	16.5
300.99683	24.2
301.03333	8.7
301.10736	1.4
302.00204	3.0
303.01297	3.3
312.99911	12.6
314.00235	3.7
314.94473	1.5
314.97632	19.4
315.01331	5.7
315.98578	61.3
316.98853	4.7
327.01324	1.8
328.99142	3.1
330.00113	21.6
331.00934	68.5
331.17688	11.7
332.00992	3.8
396.58942	1.1
414.16238	1.4
419.06146	7.1
420.06772	2.0
431.02136	3.7
431.98297	1.7
432.03357	23.4
433.04044	9.6
435.05634	1.3
463.04865	100.0
463.21982	19.9
464.05240	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	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
58.00478	0.7
59.01249	100.0
59.96772	0.6
60.01582	1.0
61.98698	4.1
65.00186	0.9
66.60954	0.5
69.30494	2.7
69.30936	2.5
71.01252	12.8
72.99184	1.1
73.02825	2.2
75.00752	0.8
77.58208	0.5
78.95789	1.4
81.70766	0.5
83.01265	1.6
85.02805	2.7
86.55821	0.6
87.00750	1.3
89.02316	14.3
94.05035	0.6
95.01285	0.6
97.02826	1.0
99.00732	1.2
101.02326	10.4
109.02856	2.4
113.02332	6.8
119.03398	7.8
121.02882	3.7
125.02367	1.4
131.03375	0.8
137.02385	0.9
143.03394	1.6
149.04475	1.1
152.99516	2.6
157.13908	0.7
161.02367	1.0
161.04427	4.2
163.00230	0.6
165.01840	8.6
168.15390	0.5
174.03134	1.3
179.05545	4.6
191.05537	0.6
193.01350	1.5
199.03893	1.2
225.11179	1.0
226.02673	0.8
227.03467	1.7
243.02902	3.3
254.02182	0.8
255.02994	1.4
269.04599	1.7
270.99451	1.3
271.02444	25.1
272.02908	1.9
279.23285	0.8
285.03961	1.6
287.05569	1.1
299.01904	28.2
300.02502	7.9
313.23944	1.2
314.04300	28.8
315.05066	31.4
316.05417	3.2
323.05270	0.8
401.25333	5.2
430.26315	0.7
448.38239	0.7
461.10849	23.8
461.29111	2.1
462.11102	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	2.1
59.01250	59.5
61.98711	3.1
71.01251	32.9
71.03555	1.3
71.50616	2.7
72.99189	5.8
73.02811	3.2
75.00748	100.0
79.95601	2.7
82.62274	1.3
83.01266	2.9
85.02824	6.9
87.00748	3.0
89.02320	36.4
89.02850	2.8
90.66246	1.4
93.03341	2.3
95.01257	1.9
96.95888	3.7
97.02842	1.8
101.02330	19.1
107.04887	3.1
109.02836	3.8
113.02345	11.8
119.03396	13.1
119.04913	3.3
120.13165	1.4
121.06464	1.5
125.02334	8.4
131.03410	4.4
135.00745	1.7
135.02867	10.3
135.08025	3.6
137.02344	3.6
143.03423	2.8
144.96510	1.3
145.02750	1.7
149.04469	3.7
159.04457	1.7
161.02386	2.0
161.04469	6.3
166.99789	1.8
167.03468	7.9
169.01389	2.2
171.08147	1.6
173.09633	2.0
177.01831	1.7
179.05542	10.5
191.10751	12.6
197.31908	1.5
203.03481	1.5
203.10725	2.5
221.11751	4.8
225.07872	1.8
229.01544	1.5
255.03156	3.1
255.10275	3.0
270.98972	1.8
275.01871	2.1
285.57196	1.6
293.08743	5.3
298.98685	1.7
301.00040	3.0
301.03302	1.7
343.07962	2.4
343.28256	1.5
371.12473	1.7
378.40948	1.4
401.18094	20.5
402.18610	3.0
424.74960	1.5
461.16464	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90469	3.4
58.49824	3.5
59.01251	100.0
65.71600	3.5
66.60995	3.8
69.17723	11.7
69.18132	30.3
71.01253	71.1
72.99166	8.9
73.02841	3.6
75.00735	12.1
75.30194	3.6
83.01241	5.6
85.02827	12.3
87.00787	5.3
89.02312	77.3
93.03310	8.1
95.01250	7.7
96.95918	11.1
100.91098	3.8
101.02322	40.5
107.04950	3.5
109.02819	11.4
111.00732	4.5
113.02313	27.4
119.03402	38.7
119.04898	14.4
125.02357	10.2
125.69210	4.2
135.02892	31.6
135.04414	41.3
137.02313	9.0
143.03377	5.3
145.02919	6.1
147.04468	4.6
148.63008	3.8
161.02335	5.8
161.04489	9.6
163.03865	7.3
164.63615	4.0
169.01286	8.0
179.03448	37.0
179.05505	15.7
201.01901	3.8
203.10666	5.2
206.09457	4.0
221.11740	14.9
227.07060	4.2
239.12892	5.8
241.00240	10.7
255.10190	36.1
275.01849	5.4
300.99887	11.1
343.08221	12.4
382.22177	3.7
401.18173	15.7
406.57501	4.3
461.12640	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	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33371	0.4
59.01248	2.7
59.98084	0.4
61.98669	0.6
70.28432	1.6
71.01217	0.5
71.04830	0.5
74.97227	0.5
78.95769	8.7
94.98891	0.4
104.13850	0.4
110.97682	0.4
110.98405	7.7
115.54962	0.4
152.99496	2.6
161.02350	3.0
165.01776	0.7
167.01067	2.6
167.10683	0.7
170.17625	0.4
179.10779	0.5
179.14230	0.9
185.02115	6.4
187.00352	0.5
195.13841	8.8
196.14333	1.0
205.12158	0.7
205.15971	0.9
211.13370	0.7
223.13332	8.4
224.04744	0.8
224.13774	0.6
228.13570	0.9
256.12973	2.1
265.21689	0.7
271.02374	3.3
275.20129	5.1
279.23248	0.6
280.23615	0.8
281.08386	0.6
281.11514	0.5
293.21207	100.0
294.21527	9.3
299.01947	3.1
300.02322	0.8
314.04266	2.9
315.05023	2.8
346.04797	1.6
371.05515	0.6
383.35187	0.5
443.11258	1.7
461.11444	2.2
461.23141	18.9
461.29031	1.6
462.12299	0.6
462.23505	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11971	0.2
53.74396	0.2
55.01749	1.1
57.03320	0.9
58.00463	3.6
59.01248	72.1
59.98389	0.5
60.01593	1.0
61.98693	1.2
67.01766	0.3
68.99686	0.2
69.03324	5.7
69.48573	0.2
70.03646	1.1
71.01250	72.7
71.04887	0.5
72.01598	0.8
72.99176	4.1
73.02817	15.5
75.00749	3.0
81.03333	3.5
81.95729	0.2
82.03683	0.2
83.01250	4.0
83.04873	0.2
85.02823	8.0
87.00740	2.3
87.04377	0.4
89.02313	100.0
90.02632	1.1
93.03343	0.3
95.01257	2.4
95.04939	0.2
97.02826	11.1
97.06451	0.3
98.20428	0.2
99.00753	25.0
99.04388	1.5
100.01048	0.6
101.02319	31.8
102.02670	1.0
102.78487	0.2
108.02061	0.4
109.02822	0.9
109.06461	0.4
111.00772	1.2
111.04373	0.6
111.07996	0.3
113.02322	8.5
114.02595	0.2
115.03890	5.2
117.01829	0.5
119.03388	2.3
119.04875	0.5
121.02839	0.5
123.00775	0.4
123.04418	0.3
125.02331	38.1
125.09617	0.7
126.02679	1.1
127.03874	0.9
131.03391	14.3
132.03722	0.5
133.02803	0.3
143.03404	4.7
147.11716	0.7
149.04453	33.9
149.09581	1.0
150.04776	0.8
151.00235	0.3
152.04674	0.2
152.99440	0.3
159.11684	0.3
161.02420	0.2
161.04463	2.3
161.09659	0.3
165.01846	0.7
165.12749	0.2
167.10680	20.1
168.11008	0.8
173.04459	0.6
175.06088	0.5
177.09241	0.3
177.12758	0.8
181.12273	0.6
188.85182	0.3
191.05530	13.4
191.10699	2.7
192.05824	0.4
192.10976	0.4
206.57779	0.2
209.11757	2.9
215.05502	0.5
221.06653	1.1
221.11754	3.1
222.12129	0.5
226.02724	0.2
233.06618	22.2
234.06927	1.1
236.85179	0.2
239.12762	1.5
243.02843	0.3
251.07668	0.7
255.02966	1.0
256.03635	0.4
271.02426	2.1
275.07782	1.2
279.07248	0.5
281.04501	0.4
281.08850	0.2
281.17554	0.7
284.03241	8.3
285.03506	0.8
293.08765	28.6
294.09113	1.7
298.04630	0.4
299.01996	3.2
299.05591	15.5
299.18640	2.9
300.02563	0.9
300.05930	1.6
311.09830	0.5
311.97391	0.2
314.04306	2.8
315.05057	2.3
316.05319	0.2
322.30353	0.2
332.93259	0.3
461.10770	4.9
462.11011	0.9
463.03622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97092	0.1
55.01767	0.3
57.03328	0.4
57.93723	0.1
58.00463	0.9
59.01249	18.6
59.21305	0.1
59.98400	1.1
60.01572	0.1
61.98709	0.3
69.03315	1.2
69.35959	0.2
69.36367	0.8
71.01251	19.9
72.01584	0.2
72.99175	1.0
73.02815	1.7
75.00754	0.1
81.03334	0.7
83.01272	0.7
85.02821	2.6
87.00748	0.6
89.02316	25.5
90.02655	0.4
95.01269	0.5
97.02827	1.7
98.03623	0.4
99.00772	1.0
99.04394	1.5
101.02321	5.5
107.01350	0.1
109.02836	0.1
111.23699	0.1
113.02330	3.3
119.03381	0.8
121.02911	0.1
123.00786	0.2
125.02335	10.3
126.02662	0.3
127.03942	0.2
131.03395	4.9
132.03700	0.2
139.03932	0.2
143.03398	1.5
149.04453	4.5
149.09642	0.1
161.04497	0.7
167.10684	100.0
168.00493	0.2
168.11015	4.6
191.05490	0.8
191.10690	0.3
209.11754	0.3
227.03377	0.2
233.06639	1.3
241.00656	0.1
255.02943	1.2
271.02472	0.4
283.02457	1.7
284.03134	0.4
293.08783	3.3
294.09286	0.2
298.04770	0.7
299.05563	1.4
301.03421	0.1
314.04276	0.2
315.05087	0.2
329.02988	0.2
341.06680	0.1
373.25928	0.2
461.11096	0.8
461.20441	0.2
462.10828	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36086	4.7
57.13264	5.0
59.01244	26.8
63.94489	4.5
69.53564	33.4
71.01247	47.9
72.99174	5.6
73.02811	19.5
75.00736	17.3
83.01244	7.0
85.02811	20.7
87.00729	5.5
89.02311	17.7
95.01229	5.4
98.20595	4.5
99.00779	5.4
101.02316	46.5
101.47964	4.7
103.99982	4.7
109.02866	11.1
113.02324	21.4
113.37019	5.1
115.00282	4.8
125.02325	10.7
127.18033	5.3
135.02887	25.5
135.04411	25.1
161.04471	13.7
169.01266	7.0
179.03389	14.9
255.10188	48.7
255.56630	5.3
256.10391	6.5
269.10324	52.4
298.98325	7.4
299.99231	6.4
300.99890	10.3
343.08362	13.1
401.14514	100.0
402.14746	10.2
461.10934	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	461.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.4
57.03314	1.3
58.00462	2.3
59.01249	89.9
60.01545	1.2
61.98688	3.2
62.11481	1.3
65.00213	1.7
67.01751	1.5
68.99668	1.8
69.03323	5.1
69.40347	7.6
69.40755	2.1
71.01253	76.5
72.99184	9.6
73.02822	8.2
74.38576	1.2
75.00748	9.6
79.95604	22.2
81.03329	3.7
83.01241	5.9
85.02822	12.7
87.00730	4.0
89.02316	100.0
90.02694	1.8
91.01756	3.5
93.03335	2.9
95.01267	6.5
96.95887	30.9
97.02831	8.4
98.95403	1.3
99.00758	4.4
100.87271	1.1
101.02325	23.8
107.01250	2.0
107.04213	2.2
107.04903	21.2
108.02058	2.7
109.02842	7.4
109.99963	2.3
111.00080	1.1
111.00759	5.5
113.02313	18.0
115.00299	1.2
119.03395	7.0
119.04933	1.2
119.24294	1.2
121.02810	2.7
123.00753	4.7
123.04399	2.6
124.01577	2.1
125.02337	45.3
127.17091	1.2
131.03397	20.9
133.02875	2.2
135.00755	7.9
135.02907	12.1
135.04433	2.9
136.99043	1.6
137.02322	4.4
139.00238	5.0
139.03853	1.5
140.01064	2.9
143.03360	6.7
144.10626	1.2
147.04404	1.6
149.02396	2.5
149.04465	26.6
149.99414	1.5
151.00304	2.7
151.03929	1.9
153.01813	3.4
155.03380	1.5
159.04428	1.6
161.02335	3.2
161.04468	16.1
163.00243	5.9
163.03951	1.5
164.01048	4.3
165.01865	6.3
165.98975	5.5
166.99713	3.4
167.02118	2.0
167.03421	22.7
168.00545	1.8
169.01341	2.4
173.02280	1.3
174.03079	1.6
175.03940	2.2
177.01831	2.8
178.99750	2.7
179.03383	2.4
179.05554	2.7
179.79031	1.1
181.01329	4.6
187.03856	2.4
189.01950	2.0
190.99850	1.5
191.03360	1.6
191.05540	2.1
193.01334	6.5
194.99260	1.3
195.36578	1.1
201.01773	1.9
201.09004	1.3
202.02739	1.6
203.03497	2.6
203.53836	1.3
205.01367	1.4
209.00815	5.7
213.01826	1.4
215.03398	2.7
217.01271	1.8
218.01837	1.7
221.11778	3.3
223.02478	1.6
227.03503	1.6
227.07042	4.3
231.02940	3.2
233.06618	3.1
234.01474	1.2
241.01367	1.4
242.02420	1.5
243.02875	1.7
245.00839	2.1
247.02251	1.3
255.02904	2.4
255.10193	4.0
257.00882	2.0
258.01694	2.9
259.02487	3.7
269.01224	1.2
269.10190	2.9
275.02017	4.1
275.05164	1.3
286.01059	2.0
287.01932	4.5
288.02530	2.0
293.08755	50.6
294.09210	2.2
299.09579	1.9
300.99866	2.9
301.03461	1.6
303.01422	2.6
304.02158	2.1
312.99927	1.5
315.01401	2.1
330.03778	2.6
331.01038	1.5
332.01465	1.6
345.02402	1.9
346.03314	1.8
347.04102	3.2
349.01947	2.2
363.03384	2.8
373.55899	1.5
391.50699	1.3
401.13666	1.4
443.15512	2.3
461.02905	1.6
461.12076	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	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.3
56.96174	0.5
57.03306	2.0
59.01247	67.3
60.01590	0.6
65.01933	0.5
65.66135	0.5
71.01251	47.6
72.01559	0.7
72.99171	1.4
73.02816	19.6
75.00731	1.4
83.01254	7.1
85.02816	23.7
85.99962	0.7
86.03168	0.9
87.00739	1.8
89.02322	4.8
89.04819	0.6
91.50480	0.5
95.01264	3.5
97.02823	1.6
97.06329	0.5
99.00761	9.2
101.02321	48.1
102.02653	1.8
113.02330	25.1
114.02683	0.7
121.02839	0.5
124.97363	0.6
125.02299	1.9
129.01836	0.6
131.03395	27.1
132.03719	1.3
135.02895	2.7
135.04425	1.1
143.03404	3.1
144.18062	0.6
145.71103	0.6
159.02892	5.8
161.04462	31.4
162.04800	0.8
169.01323	0.6
179.03381	0.7
192.46518	0.6
205.03351	0.8
255.10139	1.0
269.10284	100.0
269.74490	0.6
270.10648	7.6
277.15994	0.7
290.41309	0.6
311.11496	0.6
313.09100	0.7
401.14536	19.2
402.14847	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67115	0.6
57.03323	1.5
58.00472	1.0
59.01250	23.2
61.98703	1.4
67.01765	1.3
69.03326	1.7
70.71744	0.8
71.01253	14.8
71.51840	1.0
72.99179	15.1
73.02823	3.5
74.98962	2.1
77.80130	0.7
79.01788	2.4
81.03348	0.9
83.01248	2.5
85.02821	3.4
87.00753	1.3
89.02313	10.6
93.03354	1.0
95.01273	4.7
97.02834	3.2
99.00774	2.0
101.02333	6.0
107.01265	8.6
109.02831	1.6
111.00752	1.6
113.02316	3.9
115.05399	1.3
119.03397	1.2
119.04909	1.1
120.99542	1.0
123.00774	29.7
124.01583	0.8
125.02332	38.7
126.02706	0.9
131.03413	1.6
131.04900	3.4
133.06462	2.0
135.02898	1.3
135.04411	1.2
136.98961	1.8
137.02385	2.2
139.00258	5.8
140.01039	1.6
141.01851	4.8
144.26559	0.8
145.02887	0.9
147.04414	19.2
149.04430	1.8
151.00276	23.0
152.00601	0.8
153.01860	3.5
159.04517	0.9
161.02347	1.9
161.04582	1.2
161.05978	20.6
162.06302	1.4
163.00278	2.3
165.01865	2.9
165.09210	3.4
166.09438	1.3
167.03455	1.3
167.10722	11.1
168.00549	4.3
169.01337	48.8
170.01669	2.5
175.03905	1.7
178.99724	1.2
179.03387	1.0
181.01353	1.2
183.03035	0.9
185.11754	1.6
187.03889	0.8
188.97342	0.8
189.05533	3.3
191.05513	1.3
193.01360	2.5
211.02390	8.0
227.03461	2.3
233.06520	2.2
243.02844	1.0
245.00981	1.0
253.03424	2.0
255.03055	1.6
265.07114	1.0
271.02438	1.7
285.04001	1.3
287.05429	0.8
291.18115	1.1
293.04440	1.2
293.08743	1.9
299.02039	2.6
299.18674	1.5
300.02664	0.9
313.05682	6.5
314.04092	1.0
315.05032	2.0
315.18350	0.8
325.07230	1.4
332.34045	0.9
335.05576	1.8
357.10077	1.3
401.08893	1.5
401.21594	1.6
423.22321	4.0
461.10901	100.0
461.24359	2.9
462.11154	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31057	0.5
57.03312	1.9
59.00960	1.1
59.01252	20.5
63.02254	0.6
67.73286	0.6
69.24902	5.2
71.01257	5.7
72.99180	0.8
73.02805	2.4
82.81920	0.7
83.01254	1.3
85.02836	3.8
89.02318	3.6
91.43119	0.6
93.03332	1.1
94.65855	0.6
95.01287	0.8
95.04898	3.3
99.04415	3.6
101.02332	5.1
107.01229	1.6
109.02832	1.3
113.02307	2.4
113.02986	0.6
119.03381	1.6
119.04874	0.8
120.99503	1.5
121.02856	0.8
125.02342	4.8
132.02016	0.7
133.02853	2.9
135.04399	1.9
137.02338	1.6
137.05978	1.2
143.03404	1.2
145.02843	1.0
149.09695	0.7
151.00266	4.2
153.01833	1.4
155.10709	1.5
161.02356	7.2
161.04478	1.6
163.00304	0.8
163.03880	0.9
164.01048	1.0
165.01842	1.3
165.05368	0.8
171.04347	1.0
173.02322	0.7
174.03052	1.0
175.03934	1.6
178.99840	0.8
179.03352	0.8
179.05472	1.3
181.08641	6.5
183.04411	0.8
187.03828	0.9
189.01770	0.6
191.05319	1.0
199.03938	5.0
199.09694	1.9
201.01891	2.6
203.03481	1.1
207.13783	2.9
209.11766	1.6
215.03423	4.5
223.09633	4.1
226.02681	1.3
227.03487	4.9
229.01346	0.8
242.02185	9.8
243.02951	42.3
244.03296	2.8
251.12924	1.0
253.10916	0.7
255.02922	4.4
257.04547	13.0
258.04959	1.0
269.13940	19.3
269.98929	0.6
270.01666	12.1
271.02463	47.4
272.02899	3.7
277.04987	2.1
279.06644	0.9
279.10870	2.0
281.04370	0.8
283.02478	1.8
285.04041	22.5
286.04739	6.9
287.05301	0.9
293.04611	0.6
295.05936	1.1
297.97479	0.9
299.01959	18.8
299.05365	1.3
299.99438	0.6
300.02667	14.3
301.03342	3.3
311.15015	1.1
313.00027	1.2
314.04303	52.3
315.05035	36.3
316.05411	2.2
317.04327	1.0
323.05676	1.0
328.02252	2.3
335.05515	7.5
337.15356	0.7
357.06094	0.8
371.17328	3.7
373.24036	1.0
401.21661	1.2
433.08243	0.8
461.10825	100.0
461.19470	6.0
461.25092	2.0
462.11246	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.6
57.03312	0.9
58.00450	0.7
59.01249	27.3
59.37966	0.3
59.98388	1.1
60.01580	0.7
61.01654	0.4
61.98716	2.4
63.99245	0.4
69.03325	2.3
69.28682	2.4
69.29102	1.5
71.01253	21.6
72.99187	2.1
73.02809	2.7
75.00723	0.5
81.03331	1.5
83.01267	2.4
83.04874	0.4
85.02821	3.8
87.00737	1.0
89.02317	28.3
93.03296	0.8
93.23798	0.4
95.01250	1.5
97.02821	3.0
98.03672	0.5
99.00742	1.9
99.04391	1.2
101.02317	8.4
107.01262	0.7
108.02028	0.5
109.02867	0.9
113.02337	4.0
119.03345	1.7
120.99525	1.8
121.02860	0.7
123.00787	3.2
124.01563	7.2
125.02332	29.6
126.02664	1.1
131.03389	5.2
135.04453	0.5
137.02318	1.5
140.22504	0.4
143.03391	1.2
147.04413	1.7
149.02304	0.5
149.04469	4.4
149.99483	13.0
151.00266	1.2
151.03909	0.5
161.04517	2.1
163.06012	0.4
165.01840	1.7
165.09172	0.5
167.10683	100.0
168.00548	21.3
168.11005	4.0
169.01274	2.0
174.03009	0.4
180.16151	0.4
187.03893	0.6
191.05562	1.1
193.01270	0.7
196.05222	0.5
201.01709	0.5
204.55179	0.5
211.03917	0.5
227.03493	3.4
233.06648	1.3
239.07111	1.5
247.47739	0.4
255.02948	12.3
256.03622	1.6
271.02386	2.1
283.02463	18.9
284.03131	5.4
285.03909	1.2
293.08777	3.2
295.02661	0.7
298.04788	12.1
299.02087	1.9
299.05539	18.2
300.02802	0.8
300.05954	1.6
301.03488	1.2
311.01971	0.9
313.06213	0.7
314.04340	1.4
315.05112	1.9
329.03015	2.3
330.03677	0.5
331.04529	0.5
335.05914	0.6
341.06824	0.5
401.21765	0.8
419.07724	0.7
427.72290	0.4
443.09613	0.8
461.10986	41.0
461.24112	1.4
462.11401	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61049	0.7
52.11729	0.7
52.95006	0.7
56.82706	0.8
57.03330	2.3
59.01251	10.9
65.00198	1.7
69.03325	0.8
71.01249	6.8
71.51196	1.3
72.99194	1.6
73.02828	2.5
78.48149	0.7
81.03331	1.9
83.01277	1.9
85.02821	5.0
87.00780	0.8
89.02330	2.2
93.03323	4.9
95.01260	3.7
99.00771	1.5
101.02341	3.7
105.72562	0.8
107.01294	2.0
107.98643	1.0
108.02048	69.8
109.02852	28.5
110.00060	0.8
110.03251	0.9
111.00827	0.9
113.02368	2.1
115.00272	2.0
117.03352	25.7
119.04912	8.7
120.99587	1.1
121.02899	2.6
123.00783	4.6
123.04414	1.5
125.02314	5.3
133.01323	3.7
133.02896	1.6
135.00784	1.9
135.04416	7.1
137.02382	3.9
139.00217	0.9
145.02852	82.5
146.03207	4.2
147.04414	1.1
149.02431	1.0
151.00256	5.9
151.03923	1.7
152.01059	98.4
153.01852	27.2
158.03658	1.1
159.04422	1.3
160.01552	1.7
161.02376	6.2
161.04506	1.1
163.00337	1.8
163.03906	7.3
165.01846	1.8
166.05048	1.0
170.03636	1.0
171.04512	1.8
173.02354	1.5
174.03174	2.0
175.03940	3.1
177.01920	1.1
178.99832	2.6
179.03491	1.7
185.02441	1.3
185.58508	0.7
186.03297	1.7
187.03995	3.2
189.01970	2.0
193.01443	3.6
197.02512	0.9
197.09724	1.5
199.04036	3.2
201.01932	2.1
202.02583	4.2
203.03450	1.7
213.01976	2.6
213.05457	1.4
214.02719	3.2
215.03419	4.8
216.00667	1.0
217.01431	1.7
221.71768	0.8
227.03471	1.6
227.07040	0.9
229.01431	1.9
229.05121	0.8
230.02167	3.0
230.16243	0.7
231.03040	2.2
241.01431	6.5
242.02159	6.3
243.02911	4.9
245.00975	2.0
249.05608	0.8
255.02887	1.0
257.01013	4.0
258.01663	5.8
259.02472	6.1
261.00439	1.5
261.05649	1.0
269.00769	5.3
270.01620	1.5
271.02475	6.5
277.05066	1.6
278.05981	1.6
279.06754	1.6
281.04285	1.6
281.06812	2.6
283.02194	0.9
285.04062	2.0
286.01196	10.4
287.01974	19.0
288.02441	1.2
294.05374	2.1
296.06976	3.4
297.00369	7.4
298.01187	2.0
299.02066	4.3
300.02829	1.9
301.03589	2.9
301.10974	2.7
307.08423	3.3
314.00577	6.2
315.01617	40.8
315.07391	44.4
316.01904	5.2
316.07559	2.2
317.03036	2.3
323.05533	1.1
324.06332	6.9
329.03204	1.0
335.05627	10.4
336.06207	1.2
357.02478	0.9
383.07733	0.9
401.21994	1.9
417.11987	2.2
433.07693	7.3
461.11148	100.0
462.11081	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	461.1087
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
59.01242	2.8
61.05946	0.5
65.00201	1.9
71.01257	2.9
77.16194	0.5
89.00169	0.7
89.02315	3.2
93.03379	0.7
97.02827	2.0
98.72585	0.5
99.00761	1.0
101.02348	1.1
107.01271	0.5
109.02837	5.2
109.31749	0.5
110.00032	0.7
121.02835	9.5
125.02328	1.5
133.02850	0.6
133.32701	0.5
149.02362	1.1
149.04433	1.1
151.00287	2.3
152.76616	0.5
163.00269	2.1
165.01839	23.3
166.02116	0.8
167.10670	0.8
171.04434	0.6
175.03981	1.0
187.03842	1.0
193.01410	3.8
193.85472	0.5
199.03889	3.5
201.01770	0.9
203.03445	0.6
215.03362	1.8
226.02637	4.4
227.03410	4.2
228.04155	1.6
229.01082	0.5
233.06633	1.0
242.02312	0.7
243.02951	11.1
244.03418	1.5
254.02223	4.4
255.02919	6.2
256.03677	1.2
257.04459	0.7
259.06021	1.0
269.04578	3.1
270.01733	1.1
271.02463	97.8
272.02875	8.6
282.01944	0.7
283.02274	0.7
285.03961	2.7
286.04459	0.6
287.05606	2.0
291.61884	0.6
293.08798	0.9
297.04025	1.1
299.01950	100.0
300.02582	22.4
300.06165	0.8
301.03043	1.3
314.04315	78.9
315.05066	92.7
315.34146	0.5
316.05399	7.0
324.07278	0.5
348.92282	0.6
461.10876	69.0
462.11270	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	461.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01701	0.7
57.03318	9.4
59.01247	55.3
61.98689	1.2
63.65183	0.9
69.03339	1.5
69.25533	8.6
71.01246	10.0
73.02801	2.1
81.03307	0.9
83.01254	7.8
85.02806	2.4
89.02316	6.5
93.03294	4.5
97.02811	3.2
99.00743	2.0
101.02333	4.2
109.02853	7.2
113.02309	2.4
119.04903	0.8
120.53474	0.8
121.02845	4.8
123.04421	5.3
125.02332	94.9
126.02655	2.6
131.04892	1.0
133.02869	4.5
133.87840	0.9
135.04372	1.4
137.02348	8.3
139.03899	6.6
143.04898	2.4
145.02864	1.9
149.02324	8.8
149.04420	1.4
151.00288	1.3
151.03894	3.2
157.02800	2.8
158.03613	0.9
159.04442	6.4
161.02351	37.5
161.04453	3.2
162.03099	2.7
163.00285	3.8
164.01089	4.5
165.01881	8.7
167.04895	1.4
167.10687	10.1
169.01350	1.2
171.04485	5.9
173.02339	6.0
174.03151	4.1
175.03882	11.0
180.58795	0.9
181.06448	1.0
182.49280	0.9
183.04442	2.8
185.02321	2.0
185.05972	1.2
187.03931	65.4
188.04335	2.5
195.04497	2.4
196.05106	1.2
197.06091	1.3
198.03094	1.5
199.03891	4.0
200.04727	1.0
201.05455	3.9
203.03354	2.7
205.05035	1.2
208.05229	1.6
209.05902	4.7
211.03946	16.6
212.04642	4.0
213.01863	8.7
213.05469	3.8
214.02628	7.3
215.03432	14.9
217.05029	1.4
219.04472	1.2
219.06462	1.6
223.03951	4.2
224.04712	4.6
225.05475	7.7
226.02640	1.3
227.03387	7.5
229.04948	4.1
235.03996	1.4
236.04773	1.2
237.05511	6.4
238.06259	1.8
239.03456	5.8
239.06915	2.1
240.04207	3.0
241.05016	2.4
242.01988	1.0
243.06633	1.4
245.04536	1.7
247.06065	2.8
248.04700	2.4
249.05522	4.1
251.03432	2.1
252.04164	2.1
253.05052	5.0
255.02969	2.5
255.06544	1.9
257.04343	1.6
263.03464	1.8
264.04178	4.9
265.05045	9.8
266.05850	7.6
267.02954	9.9
267.06564	11.0
268.03653	3.9
268.06680	1.3
269.04483	4.3
271.02350	1.5
271.06207	1.0
273.03986	1.9
277.04990	1.7
279.03101	2.0
280.03754	13.7
281.04532	100.0
282.04953	11.2
287.05640	10.3
292.03699	7.2
293.04544	47.7
293.08105	1.2
294.05185	7.0
295.02570	10.8
295.05786	2.0
296.03220	11.8
297.03900	2.9
299.02206	1.0
299.05557	4.0
299.18887	1.3
308.03268	1.7
309.04034	9.2
310.04684	5.2
311.05591	1.9
314.04593	1.0
320.03220	20.9
321.03909	8.5
328.02316	1.4
329.02933	1.1
329.06805	1.4
335.05548	1.8
338.04282	2.5
339.04987	2.4
351.04691	1.2
357.07645	1.6
375.08591	2.4
399.08514	3.3
401.25455	1.5
417.09665	2.9
425.06870	1.8
443.07663	50.5
444.08139	7.0
461.08734	72.2
462.09122	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51498	0.8
57.03318	11.5
59.01248	100.0
60.01572	1.2
61.98693	1.1
66.92876	0.7
69.03312	1.8
70.53294	2.5
71.01254	15.7
72.99168	1.7
73.02815	4.9
74.10683	0.7
74.98949	1.1
75.00728	1.1
81.03316	2.1
83.01254	8.7
85.02835	4.4
87.00764	1.4
89.02316	15.0
93.03333	6.0
95.01257	2.5
97.02825	4.9
99.00741	2.8
101.02318	7.2
107.01263	1.0
108.02029	1.5
109.02261	0.7
109.02844	7.6
113.02329	4.1
117.03266	1.0
119.03372	1.2
119.04935	0.9
121.02861	6.0
123.00726	2.3
123.04399	5.7
124.01587	1.0
125.02332	96.5
126.02628	3.2
131.03348	2.2
132.15121	0.7
133.02849	5.5
135.04411	2.4
136.99042	1.3
137.02341	8.9
139.03909	5.4
143.03383	0.9
143.04875	1.0
145.02823	2.3
147.04366	1.4
149.02353	9.1
149.04372	2.6
151.00235	2.0
151.03880	2.5
152.99411	0.8
157.02837	2.6
159.04413	6.2
160.01515	0.9
161.02354	35.0
161.04428	5.4
161.05945	2.5
162.02924	2.5
163.00246	4.6
163.03883	1.3
164.01045	3.6
165.01846	7.6
165.07031	1.0
165.09061	1.0
167.04912	1.3
167.10689	23.4
168.00511	0.9
169.01373	3.9
169.02704	1.1
171.04420	6.6
171.52293	0.8
173.02345	4.8
173.05962	1.1
174.03169	4.3
175.03922	12.3
177.01691	0.8
177.05435	1.4
179.03391	0.9
181.06516	1.7
183.04445	4.9
185.02306	2.3
185.05894	1.3
187.03920	62.2
188.04274	3.8
189.01758	1.4
195.04405	2.8
196.04805	0.9
197.05936	1.3
198.03079	1.2
199.03944	4.6
200.04646	0.9
201.05495	3.9
203.03311	2.9
205.04958	2.0
208.05191	1.4
209.06013	4.4
210.03177	1.1
211.03951	14.7
212.04695	4.0
213.01895	8.5
213.05450	3.2
214.02634	8.3
215.03415	13.4
217.04936	0.9
221.06020	2.1
223.03899	3.1
224.04741	5.3
225.05566	7.3
226.05957	0.9
227.03470	6.4
229.04976	3.3
233.06610	1.9
235.03862	1.5
236.04723	2.0
237.05566	6.6
238.06090	1.8
239.03415	5.9
239.06935	1.7
239.12827	0.8
240.04150	2.0
241.05032	2.5
243.02856	1.4
243.06607	1.7
244.03448	0.9
245.04433	1.9
247.06100	2.5
248.04608	1.5
249.05490	2.4
251.03586	2.0
252.04173	1.6
253.05074	5.9
254.05673	1.3
255.02901	2.7
255.06665	1.8
256.03848	1.2
257.04489	1.5
263.03271	1.4
264.04242	6.0
265.05002	10.4
266.05759	5.9
267.02911	9.2
267.06525	10.1
268.03574	3.1
268.06934	0.9
269.04355	3.3
271.02335	2.0
273.03949	2.4
276.04022	0.8
277.04987	2.4
279.02969	3.0
280.03757	12.0
281.04544	91.5
282.04968	11.2
283.06021	1.0
287.05603	10.2
288.05933	1.7
289.04959	0.9
291.02856	1.3
292.03723	6.4
293.04544	44.8
293.08530	3.5
294.05023	7.2
295.02539	9.4
295.05750	1.5
296.03217	11.1
297.04044	4.0
299.01910	2.7
299.05591	3.8
299.18597	1.8
307.05920	1.1
308.03247	1.4
309.04028	8.4
310.04761	3.7
311.05597	2.4
313.03424	1.5
314.03934	1.9
315.05130	1.4
319.99695	1.8
320.03217	19.4
321.03912	7.5
323.05566	1.2
328.02130	1.1
328.05957	1.3
329.03036	1.3
329.06763	1.2
335.05396	1.7
338.04242	2.0
339.05075	1.5
375.08563	3.1
384.05954	1.2
399.08496	3.3
401.25635	4.8
415.23370	1.0
417.09531	2.6
425.06464	2.2
443.07712	50.6
444.08072	8.2
461.08719	74.9
462.09253	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	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10975	0.3
57.03337	0.8
59.01249	13.7
61.50201	0.3
65.00215	0.4
71.01251	4.7
71.38055	0.5
71.38388	0.4
72.99175	0.4
73.02831	1.1
73.58989	0.3
74.98972	0.4
75.00760	0.5
81.92277	0.3
83.01278	1.0
85.02830	2.0
87.00761	0.6
89.02315	3.5
92.66772	0.3
93.03345	0.9
95.01290	0.8
95.04932	0.9
97.02829	0.4
99.00784	0.3
99.04391	0.4
101.02336	3.3
107.01301	0.6
108.02073	0.6
109.02827	1.8
113.02325	1.8
115.00213	0.3
115.03883	0.4
118.11846	0.3
118.46368	0.3
119.03399	1.1
119.04925	0.7
121.02842	0.7
123.00803	0.4
125.02336	2.2
130.00528	0.6
131.03418	0.5
133.02873	0.7
134.71268	0.3
135.04449	1.2
136.99001	0.4
137.02380	0.4
145.02902	1.4
145.99977	0.5
149.05984	0.5
151.00270	2.5
151.03931	0.4
152.01089	0.5
153.01805	2.2
154.71538	0.3
161.02362	2.2
161.04480	0.8
163.00223	1.9
163.03883	0.7
163.11115	0.3
165.12881	0.4
166.04996	0.4
169.01311	0.3
169.32846	0.3
175.03993	0.7
177.01871	1.0
178.99805	1.2
179.03464	0.6
179.05544	0.4
179.07083	0.3
181.08595	1.4
183.10239	0.3
185.02357	0.4
185.99481	0.6
187.03943	0.5
191.52118	0.3
197.63652	0.3
197.99538	1.1
199.09740	0.3
205.01459	0.4
206.99313	1.0
207.10147	0.8
213.02042	0.4
213.99010	0.5
223.09697	0.5
225.11327	1.2
229.01408	0.9
239.16670	0.4
241.98578	1.0
254.99310	3.1
255.01842	0.3
255.02998	0.3
257.00885	1.7
269.00952	1.0
269.13953	0.7
269.98035	26.9
270.98480	1.5
271.02435	0.7
277.05066	0.7
279.10843	2.8
282.98886	0.8
283.02255	0.5
283.99713	0.5
285.00403	18.3
285.03925	1.2
286.00809	1.0
295.06058	0.4
297.00381	2.2
297.09619	1.4
297.97534	57.0
298.97955	4.8
299.01913	2.1
311.01852	0.5
311.99380	0.6
312.99881	100.0
313.96634	0.4
314.00284	7.5
315.01462	0.6
315.07056	0.6
317.04361	0.4
327.01437	2.1
328.02216	56.3
329.02637	5.0
335.05618	1.9
357.02570	1.8
401.21649	0.6
419.29831	0.3
431.02130	0.4
443.22324	0.4
445.98761	0.5
446.04846	7.5
447.05682	0.5
461.07178	73.2
461.24805	8.2
462.07501	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	460.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67786	0.5
56.55918	0.4
59.01248	32.1
60.01583	1.2
61.01671	1.0
61.98699	100.0
71.01247	2.8
71.51022	0.8
72.99206	0.6
73.02812	0.7
78.95775	1.7
81.03307	0.7
83.01266	0.8
85.02830	1.6
89.02311	1.2
101.02351	2.3
102.98496	0.7
109.02843	0.8
113.02333	1.2
121.02866	0.9
123.04410	2.2
125.02350	0.7
152.99463	2.9
161.02400	0.6
161.04503	1.0
163.96765	0.5
165.01936	1.4
167.03406	4.3
168.03798	2.4
182.95251	0.6
189.01912	1.8
191.03426	0.6
207.10210	0.7
271.02484	5.5
279.23166	1.1
289.46329	0.5
299.01959	6.5
300.02759	0.9
314.04300	6.4
315.05081	6.5
330.05042	0.6
339.95261	0.6
347.05359	1.4
348.06039	0.8
384.06219	0.7
400.24115	2.0
401.25412	1.5
460.11804	1.6
461.11084	7.4
461.21515	1.2
461.29269	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	461.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03323	1.6
58.00443	0.3
59.01247	11.9
60.99164	0.7
63.02266	0.9
64.87573	0.2
65.00202	0.3
66.29430	0.2
67.01756	2.4
68.99685	0.5
69.03316	0.7
69.30929	1.8
71.01252	9.7
72.91080	0.2
72.99173	0.9
73.02823	0.8
75.00747	2.9
79.01727	0.3
81.03335	0.3
83.01245	1.0
83.04890	0.3
84.02008	0.2
85.02818	11.6
86.03108	0.4
87.00744	5.1
89.02333	1.1
91.01758	0.7
93.03331	14.6
95.01250	2.9
99.00172	0.4
99.00755	4.5
99.04345	0.3
101.02311	0.6
103.00246	1.9
107.01268	2.7
109.02835	1.9
111.00743	0.5
111.04400	2.0
113.02328	13.3
115.00254	1.5
117.01830	1.1
117.03313	0.8
119.04872	0.4
121.02864	0.3
123.04396	0.2
127.03926	0.4
129.01872	1.2
130.04131	0.3
131.04909	0.6
133.02814	0.3
135.00787	1.4
135.02881	0.3
135.04388	1.8
137.02293	1.0
141.06944	0.4
143.04910	1.8
145.02866	0.7
145.06424	0.4
147.04358	0.3
151.00264	1.8
153.01805	0.6
154.04137	0.5
155.04895	0.5
157.01273	0.3
157.06519	1.4
158.03624	0.4
159.04413	2.3
161.02400	1.3
161.05945	0.3
163.00275	2.8
165.01797	0.6
167.04916	1.0
168.05688	0.3
169.01385	0.3
169.06496	1.3
169.07716	0.2
171.04408	1.4
173.02339	0.4
173.04468	4.7
173.05850	0.2
175.02402	2.6
175.03804	0.4
179.03452	0.4
183.04489	0.6
184.05292	0.3
185.06000	3.9
187.03908	5.6
189.05524	1.4
191.05527	14.7
192.00739	0.3
195.04443	0.8
196.05254	0.3
197.06017	1.1
198.03102	0.4
199.03925	1.2
201.05455	1.0
209.11766	0.3
211.03955	2.7
212.04562	0.5
213.05518	2.8
214.02666	0.7
215.03424	0.7
225.14917	0.5
227.03448	4.2
227.12776	2.0
229.05013	15.1
230.05333	1.0
233.06638	0.5
239.03433	2.3
240.04234	1.1
241.05008	1.7
243.02896	0.7
255.02919	2.0
256.03711	1.4
257.04532	7.7
258.04831	0.4
267.02933	1.2
269.13992	0.4
271.02377	0.3
281.06659	0.4
284.03311	0.6
285.04028	100.0
286.04404	7.8
287.14966	2.4
297.06137	0.4
299.99091	0.6
300.99695	0.3
315.01523	0.3
436.09534	0.2
443.19382	0.2
461.07184	3.6
461.20258	21.9
462.07364	0.2
462.20660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03329	0.8
59.01250	85.1
59.27161	0.6
60.01599	1.0
61.98706	4.3
71.01253	18.1
71.51239	1.1
72.78539	0.7
72.99178	1.1
73.02813	6.4
83.01270	2.3
85.02826	7.6
86.80247	0.5
87.00772	1.3
89.02317	8.1
95.01261	1.4
99.00764	2.0
101.02323	15.5
113.02329	8.1
117.03365	2.1
119.03381	3.6
121.02881	0.8
121.05873	0.7
125.02360	1.3
131.03432	0.6
143.03383	1.1
159.02928	1.7
161.02374	6.4
161.04446	13.1
173.02350	1.7
174.03133	6.4
175.03790	1.9
179.05518	1.9
183.04414	1.1
187.00302	31.9
187.03853	4.0
188.00635	2.2
189.01860	100.0
190.02222	5.6
200.04749	3.5
201.05446	2.5
205.03438	0.9
211.04031	1.3
214.02766	0.7
215.03447	4.8
224.04691	3.4
225.05293	0.8
226.02596	0.7
227.03468	1.0
228.04213	1.4
229.05032	3.9
231.06566	8.9
239.07089	5.1
256.07425	0.8
257.08157	0.8
285.07895	3.7
301.05170	0.7
322.04684	1.9
329.04410	3.3
342.05457	0.7
343.05273	0.6
345.04010	2.3
346.04788	5.9
347.05527	5.3
348.05829	0.9
355.05914	1.4
356.06738	1.2
370.04855	1.9
383.05521	8.1
384.06180	4.4
385.07126	1.6
387.05109	1.5
395.09256	1.8
397.99704	0.7
398.07660	1.3
399.23880	14.7
400.24014	2.1
411.04697	1.0
412.05878	4.8
413.10416	2.2
415.07928	0.7
423.08801	1.0
430.06924	0.9
441.09741	6.8
442.10110	1.1
459.10864	4.1
459.28070	0.9
460.11584	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40731	0.3
53.04216	0.3
55.01744	0.4
57.03317	1.1
58.00458	0.3
59.01247	100.0
60.01589	1.0
61.98701	7.0
63.96102	0.3
65.49629	0.3
69.03345	0.5
69.95540	1.8
71.01250	8.0
72.01607	0.3
72.99210	0.6
73.02821	2.5
83.01253	1.0
85.02823	2.9
87.00771	0.5
89.02319	3.8
95.01276	0.7
97.02860	0.3
98.19836	0.4
99.00767	0.7
99.04415	0.4
101.02310	5.8
101.02902	0.3
101.16937	0.3
110.33486	0.4
113.02301	3.0
119.03401	1.5
124.11902	0.3
125.02332	0.6
129.01942	0.3
129.04282	0.3
135.04420	0.4
143.03429	1.0
145.02943	0.3
147.81525	0.3
149.04514	0.3
149.09712	0.4
158.23366	0.3
159.02975	1.0
159.56921	0.3
161.02377	0.4
161.04462	5.9
161.05688	0.5
162.98755	0.3
167.10689	0.6
174.03146	0.9
179.05603	0.5
179.10727	0.3
179.14388	0.7
183.77412	0.3
184.20067	0.4
187.00346	0.4
189.01859	2.0
195.13803	2.2
205.12332	1.4
215.03406	0.5
223.13338	15.7
224.13779	1.3
231.06633	0.6
237.15013	0.9
253.09264	3.1
269.04462	0.4
270.98813	0.6
285.07843	0.4
298.98694	0.4
311.22461	0.5
313.03732	0.6
327.18405	0.6
329.04703	0.6
329.62033	0.3
346.05008	0.6
347.05621	0.8
357.26468	0.5
383.05807	0.9
399.23834	6.1
400.24088	0.4
401.08795	0.4
412.06168	0.5
441.09500	0.4
443.22720	0.4
459.10483	0.7
459.23898	2.6
460.00101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.0
66.44739	0.2
69.23838	1.1
69.24269	1.3
71.01255	5.0
73.02812	1.4
83.01271	0.4
84.52193	0.3
85.02829	2.0
89.02305	1.6
95.01281	0.5
98.20604	0.6
99.00749	0.6
101.02321	3.2
113.02336	2.2
119.03388	0.8
121.02871	0.8
146.18147	0.3
159.02899	0.9
161.04456	4.9
171.16823	0.3
185.12604	0.3
230.89899	0.3
233.67914	0.2
354.43933	0.3
359.03232	0.3
399.23862	3.4
400.24371	0.5
459.26312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
58.00463	0.5
59.01249	100.0
60.01586	1.6
61.98692	1.6
71.01250	13.4
71.50969	0.7
72.99181	1.1
73.02816	3.6
75.00751	0.9
79.95628	0.6
83.01275	1.8
84.05123	0.5
85.02821	4.0
87.00762	1.2
89.02312	8.1
93.11017	0.5
96.95913	0.9
97.02869	0.6
99.00774	2.4
101.02317	8.1
109.02816	0.8
113.02330	4.7
115.07531	0.6
119.03413	1.7
119.04939	1.2
121.02912	0.7
125.02354	1.6
129.01927	0.6
131.03401	0.9
131.07080	1.0
133.05002	0.6
135.02908	0.7
137.09592	0.6
143.03421	1.1
149.04428	1.0
151.00226	0.7
151.03906	0.6
151.06071	1.9
159.02980	1.6
161.02446	0.7
161.04475	9.0
163.03877	0.6
163.07553	25.3
164.07942	2.0
165.09059	3.4
166.77168	0.5
175.03925	1.0
177.09120	8.1
178.09586	1.0
179.03412	0.5
179.05588	0.8
183.10124	1.0
205.08615	1.2
264.50839	0.5
293.09006	1.4
293.12540	1.7
295.10449	2.0
381.21860	0.6
383.04294	0.9
399.24069	6.0
400.24326	0.9
459.22763	2.9
460.22876	0.9
471.87357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01248	100.0
60.01590	0.6
61.98722	0.3
69.35210	1.7
70.95950	0.2
70.97797	0.3
71.01252	6.1
71.01622	0.5
72.99193	0.6
73.02818	1.6
75.00753	0.5
83.01273	0.7
85.02817	2.0
87.00767	0.6
89.02312	2.2
93.03363	0.4
95.01298	0.4
96.95895	0.4
97.02840	0.5
99.00778	1.0
101.02321	4.3
102.02667	0.3
110.03746	0.3
113.02328	2.4
119.03401	0.7
119.04946	0.6
120.99542	0.5
125.02354	0.8
135.02911	0.6
135.04437	0.6
137.02370	0.4
143.03387	0.5
148.05206	2.7
149.05489	1.6
150.05806	0.8
151.00293	0.4
159.02960	0.5
161.02379	0.4
161.04471	3.6
163.07541	2.5
164.06705	0.3
164.07832	1.3
165.05440	0.3
165.08095	0.7
165.09268	0.4
169.01248	0.3
173.04556	0.3
175.03946	0.3
179.05608	0.3
183.10159	0.4
191.03456	1.4
191.05424	0.3
223.13420	0.4
251.07269	0.3
255.03030	0.9
267.12488	0.6
283.02686	0.3
297.04251	0.5
301.02972	0.3
312.02930	0.6
399.23807	4.2
400.24451	0.4
426.82358	0.3
459.08667	0.4
459.10983	0.3
459.17651	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	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
55.91370	0.4
57.03309	0.7
58.00464	0.5
59.01248	100.0
60.01585	0.9
61.98699	3.1
71.01254	9.8
71.51081	0.7
72.99187	2.0
73.02806	2.2
75.00739	0.7
79.29922	0.5
83.01273	1.3
85.02835	3.5
85.88721	0.4
87.00752	0.8
89.02312	6.8
93.03360	0.5
97.02863	0.7
99.00770	0.9
101.02316	7.9
113.02308	3.9
119.03414	1.7
119.04896	0.4
125.02335	2.6
131.03439	0.7
137.02356	0.6
143.03374	0.9
147.04419	1.3
149.04478	0.9
159.03046	0.6
161.02467	0.8
161.04471	4.8
163.07581	0.8
165.09114	13.5
165.10486	0.9
166.09412	0.7
174.03149	1.4
175.03905	6.1
176.04276	3.5
177.04460	1.8
186.60532	0.5
191.05595	0.7
252.40292	0.5
270.99011	0.6
293.08905	0.8
298.98398	1.0
299.99149	0.7
313.16626	0.9
399.00217	0.7
399.23874	7.8
400.24121	1.2
443.23337	0.6
459.22437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32016	1.1
56.65211	0.9
59.01249	2.1
60.39491	1.0
64.51214	1.1
69.16093	5.5
69.16526	6.2
69.89036	1.1
71.01246	1.8
73.02820	44.1
89.02307	1.9
99.00755	5.6
116.92723	3.7
117.01823	100.0
118.02143	2.0
118.04963	1.3
124.00992	1.0
135.04370	3.1
137.80560	1.3
161.02206	1.7
176.15417	1.2
179.03458	2.0
217.44452	1.2
255.10178	1.9
313.01178	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07104	0.5
57.03333	0.5
58.00473	0.9
59.01250	10.1
65.49821	0.5
71.01250	9.8
72.99179	1.7
73.02805	1.4
75.00739	1.6
83.01272	0.8
85.02811	2.9
87.00744	1.4
89.02313	5.8
89.03835	0.6
93.03354	0.6
96.95862	0.6
98.19785	1.1
99.00783	0.5
101.02316	6.6
105.03308	0.8
109.02821	2.0
111.00742	0.6
113.02312	2.8
115.00249	1.2
117.03324	2.6
117.19670	0.5
119.03386	1.7
119.04936	0.5
121.02845	0.5
121.04926	3.6
123.04415	0.5
125.02341	1.7
132.02060	16.8
133.02907	2.3
134.03625	35.5
135.02878	1.1
135.04491	3.2
137.02335	1.0
139.03908	0.5
145.02899	0.8
147.04398	1.2
148.19955	0.5
149.02435	0.6
149.04916	0.6
149.05969	3.5
151.03940	1.1
160.01564	82.2
161.02292	5.6
161.04482	0.6
161.06003	0.7
161.26704	0.4
163.03952	0.7
175.03915	100.0
176.01085	1.3
176.04285	5.5
177.01828	0.8
177.05392	0.6
178.02646	1.4
179.03401	3.2
185.02773	0.5
191.03430	1.3
191.07042	2.1
193.04984	51.8
194.05305	2.4
223.06093	1.2
235.06104	4.9
255.10208	1.4
295.08395	1.2
297.08029	0.7
300.99844	1.0
337.09238	0.9
341.06790	1.3
444.12491	0.5
459.15057	91.6
460.09448	0.8
460.15439	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67358	0.7
59.01250	10.4
69.61556	3.9
71.01252	10.1
71.04884	3.2
72.99158	4.0
73.02812	3.5
74.98960	1.0
75.00743	3.0
80.42154	0.7
81.03328	2.3
83.01234	1.3
85.02827	6.3
87.00749	3.2
89.02297	3.3
93.03320	3.1
95.01257	4.6
96.95885	10.0
97.02808	0.8
98.95461	2.1
98.96171	1.1
99.00772	1.3
99.04372	1.2
101.02309	5.2
102.98470	2.4
107.01286	0.9
108.02052	59.0
109.02843	44.0
110.03145	1.1
113.02332	4.1
117.05469	18.2
119.04926	1.5
120.99541	18.2
121.02838	1.6
122.03565	1.0
123.00778	3.6
123.04398	2.1
125.02312	2.8
131.04935	1.5
133.02835	3.0
135.02849	1.8
135.04404	3.7
139.00232	1.1
143.04945	2.5
145.02817	2.2
147.04398	1.6
151.00316	1.0
151.03917	3.8
152.01054	75.4
153.01849	33.3
154.02258	1.1
159.04509	1.2
161.02377	4.9
161.04459	2.2
161.05943	1.7
161.08093	3.0
163.00314	0.8
163.03903	2.8
165.01839	1.2
167.03380	0.9
173.02364	1.3
173.04486	0.9
174.03110	7.3
175.03922	78.1
176.04277	5.3
177.01860	1.5
177.05426	1.4
179.03398	1.5
179.07045	3.5
187.03908	1.0
189.05463	0.8
191.05472	1.6
193.03516	1.1
193.08580	0.9
196.06062	1.3
200.40788	0.9
209.02718	11.2
210.02980	1.2
224.90575	0.9
231.03023	0.8
237.05832	1.7
251.07135	1.0
253.04880	1.1
253.08615	1.9
255.06522	3.2
268.56387	0.9
275.58054	0.8
281.04565	1.1
283.04977	2.1
297.03409	1.0
297.06519	1.8
300.99689	1.2
315.07202	21.1
316.07599	1.8
326.30087	0.9
327.08737	1.2
341.06686	5.6
371.08093	6.1
415.12399	16.8
416.12793	1.5
459.09387	18.8
459.15060	100.0
460.09769	2.8
460.15427	9.5
476.25684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19412	0.6
58.26125	0.8
59.44994	0.6
64.87288	0.6
69.35719	0.6
69.36448	4.6
91.01751	1.2
97.06445	1.5
98.20522	1.1
103.00615	0.6
103.01744	0.8
117.03334	2.8
119.01274	0.9
124.02306	0.8
131.67252	0.6
132.02069	1.1
145.02861	3.4
159.00746	1.5
160.01590	5.8
161.02342	26.2
162.02689	1.6
163.00208	2.5
173.02374	5.8
174.03134	25.7
175.03561	1.6
175.83624	0.7
185.02335	0.8
187.00305	10.6
187.03780	0.9
188.00684	0.8
189.00299	1.0
189.01857	9.8
190.02246	0.9
193.06061	0.6
195.04501	1.3
198.03162	6.6
199.03868	2.1
208.05115	0.7
211.03897	1.1
213.05443	1.5
214.02667	1.9
232.05293	1.4
232.75351	0.7
233.06009	2.7
236.08644	0.6
236.20636	0.7
237.05316	1.2
238.06221	0.8
239.07094	1.5
240.04097	0.9
242.05635	0.8
245.05951	1.0
246.06721	1.1
248.04671	2.2
249.05455	1.5
251.07079	1.6
253.08578	0.7
260.04688	1.4
261.05527	8.3
262.06311	8.8
263.06677	0.9
265.05069	0.9
265.32602	0.6
269.08179	1.2
272.04822	0.8
273.05542	2.2
274.06305	1.0
275.03381	0.8
276.04327	4.1
277.05045	8.5
278.05597	0.7
287.03497	1.6
288.04254	1.3
289.05008	7.1
290.05826	15.1
292.03796	2.8
293.04636	1.7
300.04144	1.9
301.05072	1.7
303.03052	1.2
305.04544	9.1
306.04950	1.2
314.05786	0.8
316.03662	6.1
317.04449	10.3
318.05270	13.1
320.03281	1.0
321.03998	4.8
333.04010	4.1
334.04764	13.8
335.05142	1.2
339.06619	0.9
343.99002	1.2
344.03238	21.7
344.97562	0.8
345.03848	5.6
353.08163	0.8
355.05792	0.9
361.03479	3.3
362.04269	30.9
363.04291	4.4
383.05655	1.1
414.09494	0.7
423.08829	0.8
441.09586	1.2
459.10834	100.0
460.11206	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	459.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99628	1.0
91.01740	0.8
93.03345	0.6
117.03342	1.4
131.05006	0.7
135.04451	0.8
145.02846	1.3
161.02353	7.6
163.00282	1.4
163.03899	0.8
173.02335	0.7
174.03160	2.0
175.03891	1.7
178.40561	0.6
187.00305	24.1
187.03915	3.6
188.00635	1.2
189.01871	100.0
189.07001	1.6
190.02211	5.6
199.03928	0.6
200.04677	1.1
202.02617	0.6
203.03354	1.2
211.03909	1.3
215.03438	1.6
221.05963	0.6
224.04793	1.9
227.03378	0.9
229.05107	0.9
231.06511	0.9
232.05246	0.9
233.06036	8.2
234.06360	0.7
239.07094	4.2
240.04218	4.6
241.04959	0.6
243.06630	1.0
251.07112	15.4
252.07539	2.2
257.08209	0.7
269.08194	2.3
285.07693	1.2
295.09708	0.6
313.05249	0.7
317.04761	0.5
329.04593	1.5
339.06604	1.2
341.04620	1.2
342.05341	6.2
343.06058	4.8
344.06604	1.2
345.04163	1.8
346.04755	3.0
347.05624	1.2
355.05963	2.7
356.06808	2.1
357.03857	1.0
358.04886	4.1
359.05548	4.9
362.04361	0.6
366.05258	0.7
367.05701	0.8
369.03772	0.6
370.04709	4.3
371.05539	12.5
371.10095	0.8
372.05930	2.5
379.05905	0.6
383.05557	7.7
384.06348	10.6
385.06870	2.5
387.05081	7.5
388.05853	13.5
389.06366	1.4
393.83209	0.6
395.09247	1.6
398.08188	0.7
402.07150	1.0
409.07108	0.7
413.10394	3.4
415.08505	0.7
423.08710	2.3
424.08832	0.6
441.09766	9.8
442.10028	1.1
459.10895	8.2
460.11429	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	459.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56740	0.4
52.58751	0.5
53.15472	0.4
63.43663	0.5
64.50543	0.4
65.61806	0.4
68.99709	0.7
71.01254	0.8
76.89131	0.4
91.01754	0.7
103.01742	0.7
104.79791	0.4
117.03317	1.8
131.01237	0.8
134.00253	0.5
135.04402	0.7
145.02859	2.6
149.24529	0.5
154.43585	0.4
159.00797	1.2
161.02338	6.4
163.00310	0.8
163.03886	1.5
174.03154	5.8
175.03841	1.5
187.00298	33.5
187.03772	2.1
188.00648	1.8
189.01855	100.0
190.02202	5.7
200.04704	1.7
201.05478	1.6
203.03418	0.5
207.02757	0.5
211.03964	0.5
214.02614	0.8
215.03505	3.5
224.04791	1.9
226.02763	0.8
228.04250	0.7
229.05029	3.2
231.06587	8.0
239.07042	5.4
241.08694	0.5
251.07014	0.6
285.07684	2.6
341.04926	0.6
345.04016	1.0
346.04742	0.6
355.06064	1.7
369.03717	0.5
383.05615	6.6
384.06201	3.1
385.07193	1.3
387.05099	1.3
395.09277	1.4
398.07547	1.2
412.05801	4.2
413.10666	2.1
423.08731	1.4
431.07584	0.6
441.09778	4.4
442.10202	0.9
459.10840	0.9
460.11597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34982	1.3
64.85608	1.2
69.32343	12.9
101.31406	1.4
117.03354	3.3
145.02855	6.6
159.04483	2.0
160.94028	1.6
161.02342	13.5
163.03915	2.2
173.02339	14.9
174.03140	10.1
174.96140	1.3
175.03860	7.9
183.04399	5.3
184.10965	1.5
187.00305	17.6
187.03931	29.1
189.01859	52.4
199.03934	5.3
200.04733	15.0
201.05469	5.2
203.03430	9.4
208.44366	1.4
211.03909	6.3
214.02710	5.3
215.03432	22.0
224.04771	4.6
227.03456	5.3
228.04225	8.5
229.04997	8.1
239.07082	9.1
240.04247	2.2
243.06552	4.4
245.06059	2.3
256.07401	6.3
257.08255	6.9
261.05505	2.6
267.06390	1.7
271.06061	1.6
273.05475	2.8
285.07925	25.3
301.04996	5.8
302.05731	3.4
303.06604	12.1
313.05017	1.9
317.04559	5.2
318.05301	3.2
319.06125	2.1
329.04532	77.5
330.04880	10.7
339.06659	3.1
341.04541	4.7
342.05276	10.2
343.06033	2.9
345.03998	20.4
346.04791	97.3
347.05563	100.0
348.05844	9.8
355.06180	7.3
356.06754	5.9
358.04767	6.4
358.08719	1.6
359.05426	7.5
367.06058	2.7
369.03979	2.0
370.04745	3.0
371.05646	5.9
373.74033	1.5
383.05661	6.4
384.06238	11.6
385.07175	7.4
387.05069	10.2
388.05890	10.4
395.09158	2.1
398.08063	3.2
399.08759	1.6
402.07346	5.0
413.10382	7.9
415.08188	5.3
416.08994	4.4
423.08505	2.4
430.06860	15.1
431.00308	1.5
431.06955	2.1
441.09750	8.7
459.10809	43.5
460.11230	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	459.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00114	1.1
51.90744	1.2
55.05297	1.3
57.03328	1.5
59.01250	31.1
61.98695	3.4
62.04784	1.6
70.60835	1.2
71.01249	5.3
71.51950	1.2
72.08601	1.3
73.02814	3.2
74.61701	1.4
78.95781	3.0
85.02817	1.8
88.68296	1.2
89.02329	3.3
91.60435	1.2
93.03343	1.6
95.04917	1.3
98.31607	1.5
99.00737	1.3
101.02352	3.1
113.02325	4.3
113.05988	1.6
117.03344	4.3
121.02841	2.7
131.04941	2.0
136.48753	1.1
143.04810	1.4
145.02861	5.1
152.99535	2.8
159.04512	1.6
160.01515	1.6
161.02365	17.7
161.04405	2.4
162.02710	1.4
163.03870	3.5
171.04440	2.0
173.02359	8.7
173.60667	1.3
174.03128	23.2
175.03920	11.4
183.04410	6.7
185.02487	1.5
187.00298	34.2
187.03908	27.3
188.00630	1.8
188.04391	1.5
189.01857	100.0
190.02150	6.5
199.03931	4.3
200.04739	14.5
201.05493	16.5
202.05925	1.4
203.03461	6.6
211.04002	7.1
214.02760	3.9
215.03445	28.4
215.06760	1.4
216.03879	1.5
224.04752	11.5
225.05264	2.4
226.02632	1.5
227.03400	4.5
228.04318	9.1
228.06264	2.1
229.04959	17.8
230.05658	2.3
231.06575	31.1
232.07005	1.6
237.05446	2.5
239.03485	2.4
239.07065	16.8
241.05003	2.8
241.08582	1.5
243.06618	4.4
245.05989	2.2
251.07082	2.6
256.07312	3.6
257.04523	4.6
257.08185	5.2
261.05322	1.6
267.06485	2.2
271.06152	1.6
273.05472	3.5
274.06311	2.9
283.06027	2.3
285.07889	22.0
289.05063	2.3
290.05667	2.2
300.04294	2.1
301.04953	7.2
302.05637	2.4
303.06464	7.1
306.60596	1.4
308.03217	2.5
311.07117	1.7
314.05603	1.5
317.04474	7.0
318.05142	1.9
319.06091	1.6
326.78946	1.3
329.04523	52.9
330.04877	7.0
331.10693	1.5
338.05704	1.8
339.06540	3.1
341.04388	1.9
342.05270	10.6
343.05957	3.6
345.04037	24.0
346.04779	79.7
347.05545	77.7
347.09933	2.8
348.06046	7.6
355.06033	11.6
356.06879	6.2
357.03476	2.2
357.07632	3.6
358.04672	6.4
359.05469	6.0
367.06134	3.1
368.06714	2.2
369.03705	1.7
369.07642	1.7
370.04816	4.6
371.05389	5.6
383.05563	46.4
384.06259	14.8
385.06812	7.1
387.05118	7.9
388.05942	4.9
395.09210	4.1
397.07022	2.6
398.07846	5.9
399.08475	1.9
399.23923	4.9
402.07272	4.0
403.12164	2.2
411.05075	5.4
412.05856	32.7
413.05502	2.5
413.06552	2.5
413.10718	9.2
414.10358	1.6
415.08203	4.1
416.08884	3.7
430.06866	12.3
441.09781	29.8
442.09995	4.6
459.10794	42.8
459.26926	2.1
460.11841	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	459.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.2
61.98701	1.0
62.56833	0.4
66.27966	0.4
68.99711	0.4
71.01237	0.8
71.50253	0.6
79.26732	0.3
91.01797	0.6
101.02330	0.5
103.01762	0.7
117.03311	2.3
121.02802	0.4
121.94410	0.4
131.25269	0.4
143.04883	0.8
143.40236	0.4
145.02818	0.6
159.00710	0.6
160.01530	0.4
161.02368	9.8
161.04453	0.6
171.04373	1.7
173.02356	1.0
174.03143	7.4
175.03792	1.7
183.04437	0.9
185.34422	0.4
187.00291	33.4
187.03891	6.4
188.00656	1.7
189.01855	100.0
190.02168	5.9
199.03979	1.8
200.04707	3.3
201.05460	1.5
203.03378	1.0
211.03966	1.1
214.02631	0.8
215.03429	18.2
216.03731	1.3
224.04732	36.6
225.05113	3.0
226.02718	1.8
227.03468	3.1
228.04218	1.1
229.04999	3.5
230.05756	0.9
231.06572	15.6
232.06943	1.0
233.06119	0.4
239.07100	8.4
240.07370	0.8
241.05124	0.4
243.06540	1.0
251.07115	0.6
253.08690	8.6
253.11145	0.5
254.09013	0.9
257.08115	1.1
261.05646	0.7
277.08875	0.4
285.07724	2.0
301.04922	0.5
303.06650	0.4
304.07297	0.6
311.06952	0.5
329.04630	4.0
330.05078	0.7
339.06573	1.5
340.07092	0.5
341.04486	1.3
342.05237	1.2
342.20505	0.4
345.04126	2.7
346.04767	7.7
347.05521	4.9
348.05762	0.5
351.10370	0.7
352.07422	0.6
354.05075	0.6
355.06064	4.0
356.06696	1.5
358.04782	0.8
359.05527	0.9
366.05054	1.0
367.06049	1.0
368.06781	2.1
370.04999	1.1
371.05490	0.9
371.09598	0.5
377.08124	1.0
379.05899	0.9
379.10129	0.7
382.08463	1.2
383.05569	18.4
384.06058	4.2
385.07062	1.7
387.05075	1.0
388.05630	0.5
394.04416	0.6
395.05093	0.5
395.09332	4.0
396.09988	0.5
397.06256	2.2
397.11658	2.1
398.07770	5.6
398.11743	0.4
399.08475	0.7
402.07092	0.8
405.07596	0.7
407.05612	0.9
408.06458	0.9
411.04977	4.2
412.05786	11.1
413.05725	1.0
413.10941	2.0
414.11331	0.6
416.08429	0.5
423.08823	3.3
424.09286	0.8
430.06790	0.7
441.09784	14.7
442.10199	2.3
459.10840	5.0
459.31497	0.8
460.11505	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	459.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	58.2
61.98697	7.1
68.99697	0.9
69.27046	0.8
71.01251	9.6
71.51355	0.9
71.51774	1.0
72.99194	1.1
73.02800	1.7
83.01257	1.2
85.02303	0.8
85.02824	2.5
87.00750	1.5
88.05531	0.8
89.02299	4.8
95.01273	1.1
99.00784	1.1
101.02308	5.9
103.01793	1.1
111.78641	0.8
113.02328	2.9
117.03334	2.3
119.03403	1.3
121.02811	1.2
134.36209	0.8
152.99471	1.0
159.00784	1.5
159.02959	0.8
161.02354	11.2
161.04469	3.3
165.01808	1.2
171.04460	2.0
173.02463	0.9
174.03128	8.2
175.03879	3.0
179.05391	1.1
187.00293	31.7
187.03865	7.2
188.00653	1.8
189.01866	100.0
190.02185	6.3
199.03952	1.6
200.04704	2.0
203.03381	1.0
215.03412	19.4
216.03766	2.2
224.04735	34.7
225.05069	3.3
226.02666	1.4
227.03464	3.0
229.04988	2.7
230.05734	1.2
231.06587	16.3
232.06876	1.3
239.07062	9.4
253.08646	10.6
253.18143	1.0
308.03345	1.5
329.04501	2.2
339.06635	1.3
342.05011	1.0
345.03918	1.2
346.04688	3.8
347.05493	3.1
355.05945	2.7
366.05487	1.4
368.06558	0.9
382.08255	1.3
383.05612	16.9
384.06113	4.5
385.07281	1.1
395.09360	4.0
397.06613	1.1
397.10904	2.3
398.07938	3.2
398.22363	1.0
399.23663	5.3
407.05338	1.0
411.05014	3.4
412.05750	12.9
413.10385	2.2
423.08713	2.6
441.09732	16.0
442.10025	2.6
459.10022	4.9
460.11533	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	459.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45737	0.7
59.01235	1.7
69.59760	0.7
70.37691	2.5
73.02811	0.8
103.10332	0.7
117.03315	2.5
133.02921	0.9
159.00774	0.9
161.02338	17.9
163.00217	0.9
174.03133	28.9
174.58229	0.8
175.03818	3.0
183.04541	0.8
187.00290	33.7
187.03879	7.2
188.00653	1.5
189.01854	100.0
190.02238	4.0
200.04683	3.3
201.05455	0.9
203.03429	1.1
211.04028	1.5
215.03429	24.3
216.03972	2.1
224.04752	6.8
225.05145	1.0
228.04254	1.6
229.04951	3.7
231.06583	52.4
232.06874	2.9
239.07091	4.1
243.06628	1.0
251.07063	2.5
252.07874	1.4
253.08653	2.5
257.08188	1.1
285.07700	2.9
301.04999	1.1
303.06726	1.0
311.07227	3.1
327.06546	1.1
329.04495	6.2
329.17197	0.9
338.05765	0.9
339.06537	4.5
340.07028	1.0
341.04465	1.1
342.05392	1.7
345.04013	5.5
346.04813	10.4
347.05487	9.0
348.05927	1.2
353.08224	0.9
354.05344	2.5
355.06094	16.7
356.06598	3.8
358.04971	1.0
359.05618	0.9
365.04892	1.1
366.05215	1.9
368.06851	1.4
369.03851	0.9
370.04761	2.4
383.05579	72.4
384.06009	11.7
385.07089	1.6
387.04855	1.7
388.05911	1.2
392.04214	0.9
395.09171	2.7
397.11209	0.9
398.08035	3.7
399.08444	1.0
402.06573	0.8
411.05106	11.6
412.05807	63.7
413.05789	9.6
413.10501	3.0
414.11008	1.1
423.08643	0.8
430.06763	1.4
441.09744	47.3
442.10110	6.1
459.10852	6.1
459.34891	1.6
460.11380	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	459.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16272	0.8
54.33655	0.8
56.89881	0.8
59.01250	6.1
59.68395	0.7
69.46565	4.0
69.46986	2.3
71.01250	3.0
74.98977	1.9
75.00753	1.1
86.20266	0.9
87.00745	3.1
89.02319	2.3
93.03338	0.8
96.95878	2.2
101.02323	1.3
108.02045	6.4
109.02846	5.7
113.02332	1.5
117.03297	1.0
117.05483	1.2
120.99538	23.6
121.00407	1.4
123.04353	0.8
131.04904	1.9
133.02885	1.5
135.02873	1.5
135.04416	1.7
137.02315	0.9
137.05977	1.4
141.37691	0.8
145.02844	1.3
147.04433	2.6
152.01064	5.6
153.01823	3.7
161.01007	1.0
161.02368	3.0
161.05974	0.9
173.02303	1.5
174.03169	8.5
175.03917	100.0
176.04251	5.4
177.01843	2.0
177.05521	2.2
179.03413	0.9
179.07047	2.0
181.05032	1.1
189.31155	0.8
190.02707	1.3
191.05437	0.8
205.04924	1.9
209.00777	1.1
209.02727	12.7
210.03032	1.1
223.06065	0.9
253.08792	0.9
255.06633	1.7
297.04382	3.4
315.07013	1.9
326.47644	0.8
341.06699	3.6
371.08099	7.3
415.12430	2.0
459.09601	40.3
459.15237	10.8
460.09637	4.9
460.15707	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	459.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60021	0.5
59.01254	2.2
68.87691	0.4
69.44892	3.5
71.01263	1.2
72.15297	0.5
74.98956	1.6
75.00735	0.6
87.00720	2.5
89.02309	1.0
96.95861	2.8
98.95466	2.1
99.34438	0.5
101.02311	0.8
109.02836	0.9
113.02394	0.5
119.04897	0.5
120.99536	19.9
131.04926	2.7
132.71964	0.6
135.02847	0.8
135.04395	1.3
145.02866	0.8
147.04427	1.8
157.02902	0.8
159.04361	0.6
160.01503	0.6
161.02328	0.9
166.06184	0.6
173.02374	1.0
174.03140	9.3
175.03915	100.0
176.04248	4.4
177.05470	1.5
179.06987	1.0
189.45171	0.5
209.02715	15.4
210.03085	0.8
253.08636	2.2
297.04501	2.5
297.07452	0.7
299.88025	0.6
325.74530	0.5
341.06567	0.6
371.08020	10.5
372.08612	1.0
388.41193	0.5
459.09607	30.1
460.10141	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	459.0931
Annotation	Tenuecyclamide B
Peak:m/z	Relative Intensity
59.01248	15.7
63.99641	0.7
65.00195	2.9
69.33675	5.6
71.01257	2.5
73.02806	1.2
77.85230	0.5
84.87729	0.6
85.02807	2.2
89.00193	0.7
89.02317	2.9
93.03348	0.6
97.02831	2.4
101.02326	1.2
107.01305	0.7
113.02321	1.1
117.03333	1.1
121.02847	15.1
122.03127	0.8
123.04422	0.7
124.01538	1.3
125.87394	0.7
133.02827	1.9
135.04410	2.0
139.03920	2.0
145.02863	1.9
147.04428	2.7
149.02274	1.4
149.99516	1.7
151.00282	0.9
160.01537	0.6
161.02353	11.0
161.04399	1.1
162.03096	2.2
163.03920	6.6
165.01840	28.2
165.03259	1.3
166.02341	1.2
167.03355	1.4
173.02319	1.1
175.03873	3.5
177.01831	1.0
178.99728	1.6
183.02882	2.1
187.00302	1.6
187.03970	0.7
189.01927	3.2
191.03438	4.9
192.00638	0.9
193.01337	4.0
201.05492	0.8
203.03441	2.2
207.02844	1.5
217.01266	0.7
221.04453	1.3
224.04625	0.6
225.05577	1.5
240.04236	2.0
242.68629	0.7
250.02667	0.8
252.04204	0.9
256.03769	1.2
266.02237	2.5
267.02911	2.0
268.03802	2.5
282.01608	0.9
283.02420	1.0
283.05878	1.0
293.04315	0.8
294.01691	5.4
295.02344	2.2
296.03293	6.1
297.03857	1.2
298.04669	0.7
299.01990	0.8
299.05322	0.9
309.04025	6.2
310.01270	0.8
310.04749	1.2
311.02127	1.3
311.05597	5.8
312.02698	3.2
313.03793	0.7
313.07181	2.5
314.04358	0.8
315.05035	2.4
323.05515	1.0
325.03497	1.6
326.00815	3.7
326.04227	1.0
327.01541	1.1
327.05090	5.5
337.03522	9.9
338.04086	1.3
340.02264	2.3
341.03073	4.8
341.06680	1.1
355.04581	22.1
356.04825	2.0
369.06168	2.8
387.07315	1.5
399.23471	1.7
401.08728	8.5
402.09082	0.8
459.09308	100.0
460.09625	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	459.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93139	0.3
59.01251	29.9
60.01599	0.4
61.98706	0.6
65.00179	1.9
69.03352	0.5
69.21600	2.3
69.22005	0.7
71.01253	3.6
72.99178	0.4
73.02823	1.2
75.00745	0.3
80.90850	0.3
85.02840	1.3
87.42518	0.3
89.00237	0.4
89.02314	3.2
91.01784	0.7
93.03349	0.5
95.01288	0.4
97.02795	1.5
98.20631	0.6
99.00753	0.3
101.02316	2.5
105.03401	0.4
109.02818	0.6
109.06491	0.4
113.02347	1.6
117.03383	0.4
119.01286	0.3
119.03416	0.5
119.05022	0.3
121.02841	1.2
122.03653	0.9
123.00745	0.4
123.04413	2.5
124.01552	2.8
125.02345	0.7
131.01314	0.5
131.03410	0.5
132.02061	0.7
133.02855	2.3
135.04419	1.8
139.03893	4.0
143.88173	0.3
147.00815	0.4
147.04445	0.8
149.04466	0.4
149.99506	0.6
151.00258	0.4
151.03833	0.5
159.00832	1.4
160.01614	1.1
161.02347	34.7
161.04521	1.3
162.02707	1.8
163.03909	0.6
165.01842	18.1
165.09138	0.9
165.12764	0.4
166.02168	0.6
167.03358	0.5
173.02382	0.3
174.03169	0.4
175.03915	1.0
176.01108	0.4
177.01852	0.6
179.03415	2.0
179.05409	0.4
179.66960	0.3
183.02911	0.5
183.10214	0.5
187.00308	5.6
187.15363	0.3
188.01031	1.4
189.01854	32.0
190.02187	1.7
191.03464	1.0
191.05411	0.4
192.00581	0.4
193.01352	2.2
202.99739	0.3
203.03354	0.4
205.01407	0.4
207.02872	0.5
214.02740	0.3
214.99786	4.0
216.00531	2.7
225.11298	0.5
226.02655	0.4
227.03497	0.4
238.02679	0.5
239.03397	0.4
240.04196	0.9
243.03021	0.6
254.02226	0.6
255.02966	0.7
255.64185	0.4
256.03864	0.3
266.02213	4.7
267.02802	1.1
268.03671	1.6
269.01199	0.3
269.04352	0.4
271.02454	0.4
279.03003	0.7
281.04498	0.9
282.01672	0.4
283.02481	1.2
283.05905	0.5
284.03210	0.9
285.04111	0.4
294.01688	1.6
295.02472	2.9
296.03214	3.8
297.03696	0.6
298.05051	0.5
299.05417	0.5
308.03500	0.4
309.00830	0.2
309.04044	6.5
310.01212	1.8
310.04572	0.9
311.01990	6.7
311.05478	0.5
312.02747	1.7
322.01013	0.6
323.01941	1.0
325.03424	1.5
326.04178	0.4
327.05051	1.9
337.03546	0.9
338.04333	1.4
339.01276	0.4
339.04916	0.6
340.02252	2.7
355.04572	100.0
356.04932	7.8
399.23746	1.0
459.09274	15.1
459.22458	1.3
460.09650	2.1
462.65909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2956
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
50.20448	0.5
50.53971	0.5
57.03326	2.5
59.01247	9.3
61.98672	0.5
70.06528	2.0
81.46142	0.4
99.92170	0.5
140.17924	0.5
298.81924	0.5
319.16650	0.4
321.60168	0.5
337.08521	1.0
355.26135	0.6
358.60147	0.4
367.06107	0.5
381.07404	1.0
397.27408	25.6
398.27838	4.2
413.30600	15.8
414.30725	2.3
425.06259	0.8
439.27994	5.6
457.08975	1.7
457.29446	100.0
458.29752	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	457.3321
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
56.25235	0.2
57.03320	1.8
59.01234	0.3
60.47463	0.2
69.03332	1.3
70.18331	0.7
72.04268	0.2
93.04273	0.2
146.15936	0.2
153.80655	0.2
161.02272	0.2
199.18665	0.2
201.13811	0.2
285.03583	0.2
297.17896	0.2
331.34634	0.2
361.03720	0.4
395.29489	0.2
397.07562	0.2
397.27026	0.3
411.32794	0.3
413.34244	3.0
442.39108	0.2
457.33237	100.0
458.33578	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	457.3323
Annotation	Platanic acid
Peak:m/z	Relative Intensity
55.01744	1.3
58.00455	0.3
59.01241	1.1
61.98695	0.6
71.01252	0.4
71.04889	5.7
71.29919	0.6
72.66365	0.3
78.93671	0.3
83.04898	0.4
85.09881	0.3
97.06476	0.6
111.08067	0.6
189.12784	2.4
190.13054	0.4
191.14355	3.3
201.18808	0.3
239.03566	0.6
247.17149	0.4
265.17953	0.5
299.09171	0.6
383.29352	0.7
393.31696	0.6
395.33118	0.4
413.34225	20.7
414.34583	3.5
423.28729	0.5
439.32166	3.2
440.32294	0.6
457.33231	100.0
458.33572	17.0
483.31317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3324
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.67455	0.4
59.01238	1.6
60.00779	6.4
71.49648	0.5
71.50121	0.6
77.10866	0.5
83.84256	0.5
91.31750	0.4
95.18801	0.5
103.15408	0.5
105.06985	0.5
322.67291	0.4
327.97958	0.5
330.02316	0.4
337.21701	10.1
413.34235	10.3
414.34555	2.0
425.10236	1.6
439.32373	3.4
457.33221	100.0
458.23666	1.4
458.33517	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	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55174	0.4
53.03914	0.4
55.01760	1.1
55.68246	0.4
57.03325	1.2
59.01250	100.0
59.14475	0.4
60.01585	1.2
71.01253	17.9
72.99195	1.0
73.02821	5.7
83.01251	2.3
85.02827	7.4
87.00759	1.1
87.04390	0.5
89.02314	9.6
95.01292	1.2
99.00778	2.1
101.02322	20.0
113.02332	7.6
119.03385	3.5
127.94001	0.4
129.01875	0.7
131.03381	0.8
143.03436	1.8
151.75038	0.5
153.20007	0.4
159.02942	1.7
161.04469	14.3
179.05490	2.0
213.53987	0.5
229.56815	0.5
235.09848	0.4
235.17027	0.6
397.22272	14.3
398.22824	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.6
57.66184	0.4
58.00465	0.9
59.01247	100.0
60.01582	1.2
61.98701	1.5
62.89651	0.4
63.57096	0.5
69.03309	0.5
71.01249	13.8
71.52192	0.6
72.67365	0.4
72.99198	1.2
73.02815	1.4
83.01270	0.8
85.02812	3.1
87.00755	1.4
89.01760	1.0
89.02312	17.6
93.03339	0.5
95.01265	0.6
96.95898	0.4
99.00780	0.7
100.39771	0.4
101.02317	10.4
107.72520	0.4
109.02891	0.4
113.02327	5.8
116.07108	0.4
119.03376	9.2
119.04919	1.3
123.60128	0.4
125.02351	1.0
131.03354	0.6
135.04405	0.7
135.98248	0.8
143.03441	1.9
149.04442	0.7
151.00291	1.0
159.02937	0.4
160.12540	0.4
161.04456	5.0
161.09427	0.3
162.03104	0.5
163.03879	0.8
169.01369	0.6
173.13274	0.7
175.03931	0.5
179.05542	3.7
185.00772	0.5
191.05424	0.6
217.12326	1.2
225.05388	0.4
235.13344	5.3
252.07620	0.4
299.99210	0.5
397.22382	5.7
398.22604	0.7
415.16306	0.7
457.01956	1.7
457.15576	1.5
458.16516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.3
57.03321	3.0
58.00449	0.9
59.01252	100.0
60.01574	1.1
62.44947	0.7
68.76777	0.9
71.01255	27.8
72.99178	2.0
73.02825	8.6
83.01257	6.4
85.02823	12.5
87.00737	1.1
89.02316	15.2
95.01266	2.5
99.00748	4.1
101.02329	30.3
111.26075	0.8
113.02338	11.8
119.03382	7.7
125.02345	1.6
131.03394	1.2
133.24577	0.9
143.03406	2.6
159.02896	2.3
161.04454	13.6
165.80537	0.8
179.05533	3.3
196.72743	0.8
217.15945	1.3
220.00563	0.8
227.40857	0.8
235.16972	1.6
274.13757	0.8
299.98935	0.9
387.20233	0.8
397.22272	72.4
398.22592	8.5
457.33743	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03316	1.3
59.01250	14.0
61.98693	0.6
64.12389	0.5
67.36657	0.4
69.03300	0.9
71.01255	24.7
72.99174	0.9
73.02821	8.5
83.01263	3.4
85.02337	1.0
85.02821	7.0
87.00746	1.4
89.02323	6.0
95.01253	0.8
98.19756	0.9
98.52062	0.5
99.00758	14.2
101.02325	14.2
109.02836	1.7
113.02332	9.9
119.03371	0.5
121.06496	0.5
125.02339	1.5
129.01814	0.4
130.08693	0.6
131.03413	1.4
135.04369	0.8
135.95827	0.5
143.03386	2.4
147.04414	1.0
148.05202	100.0
149.02261	0.5
149.05908	5.5
153.01822	2.0
158.03638	1.8
159.02902	1.7
159.04324	1.1
160.03290	0.5
161.04468	20.2
162.04790	0.6
163.07558	69.8
164.07924	2.9
175.00285	1.0
190.02608	3.0
191.05534	2.2
203.05499	0.7
205.05040	2.9
211.03937	0.5
223.06024	0.5
254.87033	0.4
270.21875	0.6
295.02374	1.4
297.06131	0.8
325.12897	1.3
338.33081	0.5
413.24036	0.8
457.11404	2.5
457.17084	31.7
458.17505	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34588	0.4
55.01743	0.8
55.93834	0.4
57.03333	0.6
59.01249	8.4
71.01253	8.8
72.99172	0.6
73.02814	2.9
75.00743	0.8
83.01259	1.6
85.02827	4.8
87.00761	1.3
89.02326	2.5
91.01736	0.6
93.03330	2.0
93.49567	0.4
95.01266	0.8
96.95879	0.5
97.15949	0.4
99.00733	1.5
101.02313	5.4
107.04944	0.5
108.02020	0.8
109.02838	1.4
113.02328	3.6
119.01256	4.7
121.02834	3.1
123.04401	0.6
123.42927	0.5
125.02319	1.3
133.02820	0.6
134.03639	1.3
135.04405	2.7
137.02332	0.6
147.00758	4.7
147.04417	1.6
149.02341	9.2
150.03082	0.5
151.03885	0.5
152.01096	3.0
161.02293	1.2
161.04469	1.6
162.03152	0.7
163.03923	3.7
164.04698	9.8
165.01866	1.9
169.04961	0.9
175.00281	28.7
176.00705	0.7
177.01782	0.8
179.07050	1.5
179.10713	0.7
181.04958	0.5
189.01805	1.0
190.02637	84.7
191.03018	4.7
192.04240	0.5
193.01344	0.6
194.01950	0.6
205.04999	100.0
206.05344	4.8
207.02989	1.1
207.06509	0.6
208.03722	2.3
209.04500	2.3
215.86461	0.4
223.06056	14.2
224.06396	1.2
243.00478	0.5
251.05511	1.0
251.10971	0.5
295.02478	0.5
299.99167	0.6
300.99612	0.8
427.12396	2.6
442.14758	2.8
457.17145	90.5
458.17450	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	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20385	1.3
57.57640	1.1
59.01251	17.3
59.19736	1.0
61.98687	2.0
71.01250	14.9
71.30788	2.6
72.99146	1.5
73.02817	7.2
79.95616	2.2
83.01276	2.5
85.02830	7.2
87.00752	3.4
87.04363	1.4
89.02307	8.3
92.46001	1.0
93.03338	1.3
96.95884	1.8
99.00767	4.2
101.02296	8.9
108.02048	3.6
109.02842	4.0
113.01657	1.2
113.02306	7.0
115.05382	1.7
119.01264	1.3
119.03422	3.3
119.04918	3.2
121.02870	1.5
125.02339	2.3
129.01826	2.1
131.04929	3.0
132.02068	1.5
133.06482	1.5
134.03648	2.6
135.02837	2.2
135.04449	4.6
137.02348	4.8
138.03130	1.5
145.02942	1.1
145.06529	1.5
147.04416	100.0
147.06519	4.4
148.04785	3.9
149.02344	2.4
152.01071	2.4
160.01595	7.6
161.02293	1.2
161.04597	2.3
161.05980	22.4
163.03941	3.4
164.04704	1.8
165.07567	8.1
173.02420	2.6
174.03116	2.0
175.00264	10.8
175.03917	6.7
177.01848	1.1
179.03465	1.5
182.02162	4.7
189.05553	6.9
189.07664	4.8
190.02637	28.2
190.04340	1.6
191.03229	1.6
193.05031	1.8
195.47694	1.0
197.04472	5.4
203.55717	1.2
205.04993	29.7
205.06848	1.9
206.05396	1.5
223.06033	4.7
257.89410	1.2
299.99106	2.3
301.00134	2.7
309.11880	9.7
457.08209	2.9
457.17206	39.1
458.11133	1.7
458.17480	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	457.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.6
60.01583	0.2
61.98703	1.8
69.25224	2.0
71.01256	1.3
73.02837	0.2
83.01247	0.2
85.02833	0.5
87.00769	0.3
89.02298	0.9
92.99770	0.2
93.03330	3.1
94.03650	0.2
95.01283	0.3
95.47221	0.2
101.02321	0.8
108.02081	0.2
109.02816	0.4
111.87045	0.2
113.02322	0.4
117.03309	0.3
119.04893	0.2
121.02857	0.3
125.02353	0.6
130.04126	0.4
131.04037	0.3
131.04932	4.2
132.05243	0.3
135.04372	0.4
136.01556	1.2
137.02345	6.4
137.64220	0.2
145.02869	0.4
147.04399	1.1
149.02328	0.3
150.03116	0.9
151.03922	0.4
157.02841	0.6
158.03603	0.4
161.04486	0.2
163.07524	0.3
165.05487	0.7
173.02342	0.6
174.01570	0.2
174.03148	17.2
175.03922	100.0
176.04257	5.0
179.03410	3.6
187.03897	0.3
190.66881	0.2
196.16617	0.2
209.04524	1.2
216.60999	0.2
217.05089	0.4
229.05078	0.4
239.05540	3.1
281.06653	1.9
299.07825	0.6
299.99246	0.2
378.23639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85962	0.4
51.08651	0.5
52.42255	0.4
54.48771	0.4
59.01242	1.5
60.06366	0.4
65.99728	0.4
69.49036	3.1
71.01244	1.8
71.44563	0.4
79.95607	10.4
80.96402	3.4
83.01255	0.5
85.50655	0.4
87.00781	0.6
89.02314	2.7
94.97978	1.0
95.95103	9.2
96.95886	100.0
98.96261	0.5
109.02835	3.7
110.97487	1.3
111.00745	0.4
115.00248	1.2
119.04941	0.9
121.02851	4.2
122.97472	6.1
123.00700	0.4
123.04407	0.8
125.02307	1.1
135.02892	0.8
135.04402	1.5
137.02252	0.9
141.95667	0.5
145.02815	1.0
149.02332	0.9
150.03128	2.3
151.03964	0.7
161.02338	0.9
161.05873	0.6
162.03125	1.2
163.03871	1.2
164.04587	0.4
165.05461	1.3
166.06268	19.5
167.06619	1.2
175.03966	1.0
177.01855	0.6
177.05461	1.4
178.40422	0.4
178.99797	0.9
179.03406	1.4
179.20206	0.4
180.04254	0.5
181.07130	0.6
181.08620	6.4
190.02681	1.1
191.03337	0.5
194.99362	0.5
195.06516	0.5
205.04956	1.7
223.06047	0.7
245.01105	0.6
250.59866	0.4
251.07669	5.8
258.01950	1.7
259.02505	0.6
275.02307	15.1
276.02722	0.7
281.04529	1.2
297.07629	0.9
317.03036	1.5
323.05655	0.8
341.06668	6.5
342.07309	0.7
360.03668	0.7
378.04404	0.6
448.00217	0.5
457.11737	53.6
458.07025	0.6
458.12256	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	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23462	0.3
54.88575	0.3
59.13519	0.3
71.26286	0.7
127.31615	0.3
128.83911	0.3
152.40523	0.3
158.38135	0.4
346.91211	0.4
455.35284	100.0
456.35651	16.5
456.40460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
71.16349	0.6
102.77174	0.3
107.93373	0.2
108.61764	0.3
184.69835	0.2
304.03897	0.3
407.33017	1.3
455.35281	100.0
456.35623	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	457.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56960	3.8
59.01239	13.8
71.51752	6.2
83.01327	4.0
93.03322	3.8
97.02807	3.5
161.02364	38.8
187.00282	7.4
189.01825	12.1
211.03920	11.9
213.05409	3.7
224.04788	4.3
239.03424	27.5
239.07143	4.5
251.07143	4.3
265.08829	5.0
276.04272	4.1
277.04956	3.7
298.06299	9.2
299.06845	4.0
309.05304	3.4
313.04990	5.5
317.04681	3.5
318.05399	5.0
325.05194	5.8
326.05927	18.8
327.06567	27.6
328.07303	6.2
329.04388	10.9
340.07196	5.7
341.04578	7.0
342.05173	8.9
343.06122	12.0
351.06644	3.8
352.07019	5.0
353.04590	16.4
354.05441	25.2
355.06027	49.3
356.06711	15.9
357.04004	63.0
358.04718	13.8
360.02750	20.2
365.04419	12.6
365.08411	4.2
366.05045	5.8
367.05798	5.5
369.07590	5.6
370.04706	44.9
370.08609	4.8
371.05594	85.2
372.06299	29.4
379.06058	7.4
380.06891	8.2
381.03995	19.8
382.04797	27.3
383.05600	53.7
384.06387	32.7
385.03320	10.1
386.04150	13.1
387.05359	4.2
393.07800	9.2
395.09329	24.3
396.05957	4.4
397.07199	10.7
398.07999	68.5
399.04526	16.3
400.05890	84.9
401.06207	15.8
410.03616	7.8
411.08768	31.6
413.06250	12.2
413.11041	25.3
414.07059	17.6
415.07785	7.0
428.09378	21.1
429.09494	8.2
439.08310	48.0
439.32095	8.3
440.08575	9.5
456.36337	20.0
457.09262	100.0
457.33679	57.6
458.09674	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	455.3528
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.98238	1.0
76.47094	1.2
79.67914	1.0
90.46947	1.1
95.58755	1.0
107.31437	1.2
111.55151	1.1
229.17519	1.2
262.73392	1.1
452.24225	1.2
455.35294	100.0
456.35513	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	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71952	0.5
59.87160	0.6
63.64784	0.6
70.28753	0.5
70.84628	0.5
140.13560	0.6
225.96524	0.6
455.35297	100.0
456.35605	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03326	1.8
58.00441	1.1
59.01247	89.6
61.98698	1.6
65.34322	0.6
69.91756	3.6
71.01252	30.5
72.99178	1.5
73.02817	13.5
75.00741	1.6
83.01253	6.7
85.02817	17.4
85.99957	0.9
87.00749	1.9
89.02324	3.2
95.01257	1.9
96.95879	1.6
97.02823	1.1
98.20500	1.0
99.00762	5.7
101.02318	39.4
102.02679	1.1
109.02840	2.3
111.00791	0.9
113.02330	14.6
125.02333	1.5
131.03392	42.9
132.03770	0.8
135.04434	1.7
136.98975	0.7
143.03358	1.6
149.05984	2.0
159.02885	2.9
161.02370	1.3
161.04462	11.9
163.07631	0.7
175.03946	1.1
178.52260	0.7
187.07597	0.8
193.05057	1.1
221.12033	0.7
263.14975	100.0
264.15341	6.7
283.99692	1.0
307.14185	0.8
310.92282	0.7
315.01361	0.8
367.15948	0.8
395.19214	18.3
396.19812	1.8
410.99591	0.9
455.15274	2.5
467.65384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05442	0.2
59.01252	2.5
64.53939	0.2
71.01254	0.9
71.50711	0.5
75.00751	0.3
78.67854	0.3
79.72169	0.2
79.95605	9.1
80.96387	0.8
81.22540	0.3
85.02831	0.4
89.02317	0.5
95.95126	0.3
96.95886	100.0
97.95818	0.5
98.95474	5.9
98.96308	0.7
101.02309	0.4
108.02032	0.4
109.02835	0.3
110.97452	0.3
113.02314	0.2
119.04936	0.5
121.02824	0.4
123.04456	0.3
125.02344	0.3
133.02867	0.3
134.03618	0.5
135.02850	0.4
135.04413	1.1
136.01495	0.3
137.02327	0.3
145.02960	0.3
147.04390	0.4
149.02399	0.3
151.03944	0.4
157.64565	0.3
160.01611	0.6
161.02341	0.7
163.03909	0.4
168.27049	0.2
175.03870	1.1
179.03496	0.5
180.07889	0.3
189.00082	1.5
190.00911	1.4
190.02393	0.3
193.05029	0.4
202.37796	0.2
205.03221	1.6
205.04903	0.4
212.99416	0.3
219.54704	0.3
267.06543	0.3
269.08118	0.4
271.02621	0.2
271.06168	0.3
285.07834	0.3
314.07944	0.6
314.11496	0.5
315.08835	0.5
329.10223	1.2
330.10983	1.8
331.68304	0.3
342.11237	0.5
345.13367	0.7
352.06186	0.3
360.12122	0.8
367.08478	0.4
421.70261	0.3
423.07370	0.4
425.09122	0.5
427.10648	0.3
455.10068	16.5
455.15036	0.7
455.35730	0.4
456.10358	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	455.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.8
60.01580	0.4
61.01659	0.6
61.98702	2.6
71.01241	2.4
72.01573	0.4
73.02818	0.3
74.98994	0.4
75.00748	0.2
79.95604	17.1
80.95563	0.2
80.96410	0.5
81.95198	0.4
85.02812	0.5
86.87312	0.2
89.02315	3.4
90.02654	0.7
90.05329	0.2
91.02708	0.5
93.03262	0.3
94.06143	0.2
95.01267	0.3
95.95091	0.5
96.95884	100.0
97.95802	0.6
98.95454	1.9
98.96373	0.2
101.02291	1.3
108.02043	0.7
109.02831	0.7
110.97481	0.5
113.02328	0.8
114.02662	0.3
116.92741	0.5
119.03390	0.7
120.23660	0.2
120.99556	0.2
121.03819	0.2
123.00815	0.2
123.04438	0.4
125.02335	1.2
125.52863	0.2
131.00461	0.2
131.03369	2.0
132.03748	0.8
133.02884	0.3
133.03821	0.5
135.04460	0.3
136.99030	0.4
137.02336	0.5
139.03882	0.2
141.95665	1.8
143.03362	0.3
149.04448	1.0
149.06021	0.5
151.04924	0.4
152.01047	0.9
153.01813	0.4
153.05464	0.2
159.04372	0.4
161.02333	0.7
161.04466	0.3
163.03912	0.3
167.00044	0.6
169.01379	0.3
175.03821	0.2
178.02477	0.2
179.05528	0.8
180.05891	0.3
188.73654	0.2
189.05450	0.2
191.05505	0.5
205.04863	0.2
221.08151	0.3
229.61066	0.2
230.37199	0.2
233.07974	0.2
241.05148	0.4
257.04575	0.3
262.13715	0.3
267.06653	0.7
279.06598	0.3
297.07651	0.8
298.08356	0.3
299.09326	0.3
313.10739	0.8
314.07736	0.3
315.08209	0.2
317.11295	0.4
327.08786	0.6
327.12280	0.3
329.10294	2.4
330.10806	0.5
343.12149	0.3
345.13342	0.8
357.13724	0.2
360.12125	3.6
361.12329	0.3
375.14423	2.8
394.18103	0.4
395.18301	0.4
405.06567	0.3
419.08115	0.4
423.07648	1.3
424.08307	0.4
425.09055	2.0
427.10422	0.4
437.08926	1.2
438.08792	0.3
440.07733	0.3
455.10153	29.9
456.10309	3.1
468.21021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.213
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
57.03334	0.4
59.01249	21.6
59.51422	0.2
60.01576	0.3
69.03326	0.3
71.01240	1.0
71.35291	0.2
71.51508	0.3
72.69224	0.2
73.02828	0.5
83.04924	0.3
85.02818	0.6
101.02307	0.5
111.00864	0.3
125.02337	0.5
143.07108	0.3
144.73898	0.3
147.04419	0.6
149.02306	0.8
150.03105	2.1
159.29967	0.3
161.05988	0.4
164.04697	0.4
165.05478	2.6
196.79726	0.3
216.11478	2.1
231.13849	100.0
232.14198	8.0
268.07196	0.3
344.47278	0.3
453.17026	0.5
453.28247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27840	0.3
52.81427	0.2
59.01248	0.4
60.10773	0.3
70.00063	0.6
70.00454	0.8
97.06496	0.7
140.87796	0.3
184.26627	0.3
234.70184	0.3
247.84325	0.3
389.28366	0.3
391.30054	1.1
392.30072	0.3
405.31653	0.8
407.33301	1.7
410.04224	0.5
423.29251	0.3
437.30096	0.4
453.20703	2.3
453.33768	100.0
454.34091	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	453.3372
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.96977	0.3
62.06991	0.2
65.53651	0.2
70.65662	0.7
82.86267	0.2
87.98492	0.2
90.72707	0.2
107.75640	0.2
109.06032	0.2
120.45058	0.2
125.35620	0.2
358.73083	0.2
389.28970	0.3
405.31372	0.3
407.33200	1.5
451.74277	0.3
453.33722	100.0
454.34045	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	454.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92392	1.8
59.01246	6.1
61.98694	8.6
63.02288	1.9
65.00198	3.6
69.52435	15.2
71.01229	4.8
74.98988	3.2
79.95620	7.9
83.01267	3.1
85.02817	2.7
93.03338	5.3
93.20795	2.1
95.01284	4.0
96.95884	79.1
98.02377	2.0
99.00761	3.3
101.02306	4.0
104.96792	2.0
107.01253	9.4
109.02830	10.6
109.99983	4.1
111.00793	5.8
113.02327	2.3
118.02870	2.3
121.02859	5.5
123.00786	6.4
124.01600	4.1
125.02361	7.1
131.03395	2.7
133.02864	3.1
134.02386	3.9
135.04422	4.9
136.01695	1.8
137.02365	10.9
137.99541	1.9
139.00272	15.4
139.03842	2.0
139.17775	1.8
141.01836	5.3
146.02415	2.4
148.01601	4.7
149.02335	11.1
151.00287	34.5
152.00987	7.1
153.01822	12.0
154.99777	2.1
159.04448	3.4
160.03880	2.5
161.02315	6.1
162.01849	5.2
163.00285	6.9
163.03928	2.2
164.01138	2.3
164.03413	2.5
165.01784	4.3
165.98987	6.7
166.99825	10.1
169.01299	3.0
175.00279	5.6
175.04008	1.8
176.01079	2.2
176.03458	2.5
177.01866	5.2
178.99777	30.2
180.00168	2.4
180.02927	4.1
186.01900	3.2
187.04016	4.0
188.03482	2.5
189.01782	2.2
190.01312	3.8
190.99823	2.8
191.03522	2.2
192.00471	2.3
193.01334	16.2
194.99323	8.0
202.02660	7.1
206.99388	3.1
209.00841	7.6
211.04138	2.1
214.01500	2.0
215.03465	3.3
217.04958	4.5
218.00938	5.7
219.02989	4.0
220.02553	4.0
227.03445	4.4
229.04944	3.4
231.03098	2.6
242.02159	2.4
243.03026	5.2
245.04573	2.4
247.02264	2.0
248.01952	3.8
255.02940	4.7
257.04572	3.6
266.08124	1.9
270.01672	2.7
271.02426	9.1
272.02914	2.6
273.03873	3.0
282.03989	2.4
283.02319	2.9
285.04022	6.4
287.01932	5.0
289.03290	2.9
299.01883	9.5
299.99298	2.0
300.02554	4.5
301.03497	24.6
310.03644	3.8
311.01932	8.6
312.05301	4.9
313.03448	2.5
315.01550	4.2
316.02222	63.8
317.02625	8.1
317.11487	3.1
328.04779	4.4
329.02975	20.0
333.02209	2.1
338.03131	10.1
347.04019	6.2
356.04089	100.0
357.04343	8.8
372.07266	2.4
374.05106	72.4
375.05365	5.9
454.00781	10.9
455.00916	2.2
455.10324	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	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62589	1.0
55.01759	2.8
57.03316	2.0
58.00447	1.0
59.01252	100.0
64.66537	0.9
71.01254	32.1
72.99174	2.7
73.02821	13.0
75.00756	1.7
77.37458	0.9
83.01260	6.9
85.02819	15.0
87.00733	1.3
89.02337	8.0
95.01234	2.5
96.95879	2.8
99.00762	5.9
101.02327	36.3
102.02569	1.3
108.02031	1.5
109.02839	4.4
110.32694	1.1
111.00750	1.1
113.02318	13.4
113.93663	0.9
119.03389	1.3
119.04892	2.8
123.04362	2.7
125.02354	4.8
131.03397	55.4
132.03702	1.2
135.04405	1.8
137.02301	2.9
138.87598	0.8
143.03362	1.5
144.70868	1.0
151.03877	1.9
152.00995	1.4
159.02872	3.1
159.04277	1.2
161.04492	16.3
161.05875	2.5
161.96634	1.0
163.03912	1.9
165.01833	1.0
169.01349	1.0
179.03511	1.3
198.72821	1.0
201.05394	1.2
203.06999	3.4
205.05086	1.4
227.07222	1.1
245.07896	1.2
246.05426	1.3
247.05992	1.9
261.13431	98.9
262.13757	5.3
289.07175	12.6
305.12469	1.1
315.08704	5.0
316.09210	1.0
358.63547	1.0
390.53952	1.0
393.17676	32.8
394.18024	3.4
453.11411	3.0
453.17990	9.8
454.12933	1.5
454.18912	1.2
466.44824	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	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03334	1.1
57.80397	0.6
58.00467	1.9
58.91507	0.6
59.01249	100.0
62.56770	0.7
68.09216	0.7
70.81252	2.0
71.01254	31.2
72.99181	3.0
73.02827	1.7
79.95607	7.7
83.01262	1.6
85.02815	6.1
86.27402	0.6
87.00759	2.6
89.02314	53.9
95.01263	0.9
96.95888	57.0
99.00761	1.8
101.02322	20.7
112.23411	0.7
113.02328	11.3
119.03392	15.0
125.02351	1.4
131.03398	45.0
132.03795	1.3
137.02325	1.5
143.03439	2.9
149.04459	26.1
150.04861	0.9
161.04459	5.5
165.01814	4.2
179.03477	1.4
179.03778	1.0
179.05522	21.9
180.04298	0.8
191.05547	15.6
195.06540	1.8
221.06606	1.9
224.38347	0.7
225.07648	2.7
227.09267	1.1
234.21796	0.7
236.05757	0.7
251.07660	1.9
261.13437	11.5
262.13876	0.9
343.11990	0.9
345.13608	1.0
393.17566	10.3
393.22131	0.8
394.17862	0.8
405.15616	1.5
426.89981	0.8
435.07910	1.0
453.08533	6.0
454.09033	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	453.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36992	0.5
52.58932	0.5
53.53556	0.5
57.03287	2.0
59.01248	2.8
61.98675	1.4
69.03303	0.7
69.37598	4.2
71.01228	1.9
71.91579	0.5
73.02786	1.1
81.03338	2.3
83.01245	4.9
83.04884	0.5
85.02800	1.0
87.00713	0.6
89.02274	1.0
93.03333	4.6
95.01228	1.7
95.04909	2.6
96.95856	1.0
97.02833	5.9
101.02302	1.6
107.01231	0.5
107.04898	1.1
108.02016	3.4
109.02835	22.4
111.00741	0.9
112.42738	0.5
113.02323	0.5
114.05423	0.6
117.03324	0.5
119.04910	18.8
120.05211	0.8
120.99497	0.6
121.02856	3.3
122.03588	1.3
123.00745	1.5
123.03576	1.1
123.04409	17.3
124.01540	0.7
124.04691	0.8
125.02337	12.9
131.04828	0.7
133.01222	0.6
133.02847	0.5
133.06436	1.8
135.02879	1.2
135.04428	3.2
137.02347	9.7
138.03136	0.8
139.03903	4.6
143.04892	0.8
145.02843	4.2
146.03595	2.3
147.04399	1.0
149.02350	4.9
150.03053	1.4
151.03922	10.5
152.01035	2.0
153.01770	1.5
157.06386	0.5
158.03636	0.9
159.04407	3.9
159.07988	1.8
160.05200	0.8
161.02403	2.5
161.05978	9.1
162.03099	1.8
163.03932	5.5
164.01109	2.4
165.01857	4.9
165.05531	1.6
167.03410	1.2
169.01286	1.9
171.04115	0.5
171.08054	0.6
173.05946	0.8
174.03111	0.6
175.03880	3.2
175.07466	1.2
177.01793	1.6
177.05473	1.8
179.03392	4.7
180.04181	0.9
185.05956	1.6
187.03944	5.4
187.07657	0.6
188.04765	2.9
189.01848	0.9
190.02606	1.2
191.03387	1.8
195.06650	0.8
199.07478	0.7
199.42368	0.5
201.05458	1.4
202.06308	2.3
203.03290	0.9
203.07065	20.9
204.07352	1.4
205.04984	14.1
206.05328	0.8
215.07033	0.6
217.01331	0.9
217.08603	0.7
221.08026	2.7
223.08107	0.6
225.07504	0.6
227.07121	1.7
229.05026	1.4
229.08627	2.1
230.05695	0.6
231.03011	2.6
245.08162	13.2
246.05409	0.5
246.08578	1.4
247.02377	0.6
247.06122	4.0
261.13556	1.0
269.08661	0.5
271.06320	0.9
271.09827	2.0
273.00644	0.6
275.02039	1.1
289.07175	100.0
290.07489	7.8
300.99939	1.7
301.07071	1.7
309.28491	0.5
315.08749	26.5
316.09146	2.4
341.06607	7.4
365.13916	1.4
382.16437	0.5
391.03128	0.8
413.92065	0.5
435.10776	3.6
453.11780	21.6
453.18494	1.2
454.12839	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	453.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83288	0.3
58.91277	0.3
59.01242	1.5
66.94580	0.3
67.01752	0.8
68.99677	0.4
69.03308	0.8
69.40627	1.7
70.52045	0.3
71.01246	2.8
72.99168	0.7
73.02812	0.7
75.00732	0.3
75.37489	0.3
77.64569	0.2
79.01770	0.6
79.24393	0.2
81.03335	0.3
83.01259	1.1
84.11930	0.3
85.02798	1.6
87.00774	0.7
89.02332	0.5
95.01257	1.8
97.02831	0.9
99.00755	0.4
101.02315	1.3
107.01257	6.3
109.02842	0.7
109.99963	0.6
111.00753	3.0
113.02316	1.6
121.02792	0.5
123.00762	15.3
123.04400	0.5
124.01550	17.7
125.02335	31.8
126.02685	1.1
127.00249	1.2
136.98689	1.9
137.02338	0.9
138.03122	1.3
139.00264	4.6
139.03897	7.0
140.01048	4.0
140.04260	0.3
141.01889	1.5
141.02785	0.3
149.02252	0.3
151.00261	6.6
151.03879	0.9
153.01787	0.6
161.02339	0.5
163.03891	0.5
165.01842	0.7
166.02620	0.5
166.99806	0.8
167.03365	0.4
168.00537	7.3
169.01329	34.9
170.01672	1.2
179.03392	0.6
181.01375	0.3
181.04959	0.5
183.02895	4.2
189.01840	0.4
191.03377	0.4
201.01848	0.4
203.03407	0.6
211.02402	0.6
225.03969	1.0
229.01456	0.4
241.03473	0.6
247.02377	0.4
249.03998	0.3
253.03497	0.6
257.00793	0.7
275.01974	1.5
285.06137	1.2
289.07153	1.2
290.00702	0.4
297.06146	1.6
298.06512	0.3
300.99948	1.9
302.00006	0.4
312.05148	0.4
313.05637	7.8
314.05914	0.5
327.07230	2.2
390.52585	0.5
391.02954	1.1
453.10349	100.0
454.10718	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	453.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.8
59.24875	0.1
61.98694	0.7
69.03313	0.4
71.01257	0.3
71.50938	0.2
73.02829	0.2
73.79492	0.1
74.32925	0.1
79.95605	6.9
93.03328	0.2
95.95128	0.2
96.95885	100.0
97.95835	0.4
101.02298	0.2
108.02046	0.2
109.02878	0.4
110.97472	0.6
113.02306	0.2
121.02809	0.7
123.00734	0.2
123.04412	0.2
125.02340	0.4
134.03593	0.2
135.04369	0.4
136.01570	0.2
137.02322	0.6
147.04388	0.3
151.03914	0.5
159.04390	0.2
161.02370	0.2
175.03854	0.2
185.00838	0.2
191.03500	0.1
193.04832	0.1
206.11746	0.1
241.05132	0.2
245.01024	0.1
254.05676	0.2
268.07388	0.5
269.08215	1.1
270.08701	0.2
281.94910	0.1
283.09674	1.6
284.10214	0.4
291.56668	0.2
311.09229	0.3
328.09494	0.5
340.09515	0.5
343.11835	0.6
344.12326	0.2
355.11655	0.3
373.05746	0.2
453.08578	31.4
454.08884	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	453.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85189	0.5
59.01298	1.0
69.85873	2.6
71.01305	0.9
74.98214	0.5
79.28022	0.5
85.02841	0.6
87.00817	0.5
89.02401	1.6
91.88593	0.5
95.01346	1.1
98.19886	0.6
99.00880	0.7
108.41720	0.6
109.02904	0.8
111.00797	0.7
119.05015	1.1
123.00833	2.4
124.01653	0.7
125.02412	2.2
139.00357	0.6
139.03932	0.7
145.02911	1.0
147.04515	0.9
150.04370	0.5
155.00931	0.6
159.04628	0.5
161.02458	0.6
163.03912	1.1
165.01863	0.9
165.09578	0.6
168.00552	0.6
169.01379	2.1
173.02376	1.6
174.02992	0.8
175.03955	1.7
189.01886	1.3
190.02643	6.3
191.03387	5.5
201.01863	0.8
203.03432	1.1
217.01357	5.6
218.02148	5.4
219.02919	3.9
229.01402	1.0
245.00902	0.8
246.01633	18.0
247.02446	100.0
248.02786	5.1
273.00412	1.2
275.01859	2.0
289.07138	1.4
291.01474	2.1
294.07611	0.6
300.99872	3.8
313.05740	0.7
376.02573	0.8
381.51901	0.8
391.02808	2.2
409.02460	0.7
409.07730	14.6
410.07898	1.5
453.06360	20.1
454.06836	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.30209	0.2
59.24662	0.2
64.90999	0.2
78.95773	18.8
121.99995	0.7
140.01064	5.1
152.99481	1.4
196.03722	9.1
197.04106	0.3
214.04788	2.4
229.80450	0.3
255.23256	100.0
256.23596	7.3
322.44672	0.3
357.72034	0.2
452.27805	26.1
453.28174	3.3
453.33191	0.3
454.15179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72001	0.4
57.03342	0.4
57.47554	0.4
59.01245	10.5
60.01604	1.2
61.01693	1.0
61.98698	6.2
65.00201	0.4
65.52596	0.4
67.01778	0.8
68.99705	0.5
69.03314	0.8
71.01252	6.8
72.99191	0.5
73.02827	1.3
75.00768	0.6
79.01784	0.7
83.01283	1.1
85.02817	2.2
87.00757	0.8
89.02316	2.1
93.03353	0.8
95.01285	1.4
95.11794	0.4
96.95904	0.7
97.02838	0.7
99.00761	0.5
101.02303	2.8
105.39346	0.4
107.01272	5.9
108.02056	13.5
109.02863	2.8
110.00027	0.4
110.03178	0.8
111.00770	1.3
113.02319	1.4
117.03368	0.5
119.04904	0.5
121.02823	1.0
123.00780	8.0
123.04408	2.5
124.01578	1.6
124.04813	0.6
125.02335	32.0
126.02697	1.6
127.00359	0.5
133.02852	0.7
135.02850	0.5
135.04457	2.0
137.02359	1.6
137.70975	0.4
138.01863	100.0
139.00293	2.3
139.02254	4.0
139.03902	1.1
140.01025	1.5
141.01834	1.0
145.02885	0.8
147.04395	0.5
149.04419	0.6
150.03142	0.7
151.00264	5.7
151.03897	1.2
152.00919	0.5
153.01814	0.8
161.02322	1.8
161.04410	0.8
162.02798	0.6
163.03905	0.6
167.03362	1.5
168.00505	2.1
168.03683	0.5
169.01329	42.0
170.01665	2.5
175.03957	0.7
177.01817	2.0
178.02252	0.7
180.04411	0.4
183.10246	0.5
187.03926	0.5
189.01901	3.4
190.02266	2.9
191.03424	1.0
192.03752	0.6
193.01328	0.5
204.03847	0.5
211.02443	2.1
217.01366	2.4
218.01714	1.8
219.02884	1.3
220.03253	0.6
223.02316	0.6
227.12732	0.9
228.13123	1.2
229.13483	0.6
230.13593	0.5
232.03369	0.9
241.03477	1.1
266.99167	0.9
267.99655	1.7
270.14273	0.7
271.04666	1.2
271.14404	0.9
272.14572	0.5
287.14993	0.8
288.15277	2.6
289.07300	0.5
289.15488	2.4
290.00638	0.5
290.07281	0.4
290.15768	2.0
300.99728	0.6
311.07874	0.5
311.98740	0.6
312.08081	1.1
313.05624	71.6
314.06000	5.1
341.06702	3.0
342.06989	9.3
343.07346	0.6
391.18665	0.5
392.18713	0.6
392.23425	0.8
451.21002	1.1
452.08041	31.2
452.21606	3.5
453.08649	3.4
453.13736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.7
61.98696	7.4
65.00186	7.6
65.99712	4.4
69.27475	15.2
71.01244	10.8
72.99172	2.6
73.02802	2.8
75.00725	1.7
76.80016	1.5
79.95599	7.3
83.01248	2.6
85.02822	3.3
87.00774	2.4
87.04328	2.1
89.02320	5.8
91.56868	2.0
93.03334	5.5
96.95885	89.3
97.02831	5.8
101.02304	5.6
108.02048	6.2
109.02843	22.4
110.03181	2.8
110.97445	2.4
111.00723	2.6
113.02321	4.0
118.02850	1.9
119.02219	1.7
120.99507	4.0
121.02857	6.9
123.00729	4.6
123.04386	3.1
124.01530	4.7
125.02327	6.1
132.04437	1.9
133.02840	5.6
133.66479	1.6
135.00815	2.0
135.04344	1.9
136.01550	2.9
137.02345	8.5
139.00275	1.8
139.03883	9.8
146.02400	2.5
147.00777	3.5
147.03236	3.0
147.04419	2.1
148.01595	12.2
148.03897	1.9
149.02332	25.0
151.00218	5.1
151.03931	3.7
152.01077	5.0
153.01874	10.8
154.02167	2.0
158.02365	3.1
159.04390	2.1
160.03951	13.1
161.02362	21.4
161.04433	3.5
161.11655	1.6
163.00284	6.7
163.02686	9.3
163.03833	1.9
164.01126	2.4
164.03374	3.2
165.01828	43.8
167.03429	4.2
169.01335	6.3
174.01826	3.5
175.00278	7.4
176.01067	5.6
177.01862	16.1
178.05013	4.9
178.99683	2.3
179.03401	2.4
183.02911	5.3
183.04451	1.8
185.11746	13.7
186.01938	9.8
186.12117	3.9
187.00320	7.1
187.02481	2.1
188.03476	15.1
190.01312	4.0
191.03403	4.2
192.00539	2.4
193.01358	27.5
194.01749	2.2
198.03209	2.0
199.03922	7.0
201.11447	2.2
202.01273	3.9
203.02042	2.7
204.02960	7.6
207.03000	2.7
211.04080	3.3
212.04688	2.5
213.00471	2.4
213.05522	2.5
215.03455	2.1
218.00870	2.8
218.04480	3.7
219.02901	2.0
227.03484	7.1
229.01398	2.5
230.00824	2.1
232.02403	3.1
239.03424	4.3
241.05025	3.6
242.02161	3.4
243.02855	8.4
254.02104	2.2
255.03046	4.3
256.03632	4.9
257.04520	6.0
261.13367	3.1
266.04584	3.6
267.02893	4.9
267.10880	5.3
268.03708	2.3
268.11215	2.7
269.04449	6.0
270.01636	2.9
271.02466	55.3
272.02997	7.2
273.03915	2.8
275.01855	2.0
278.76343	1.7
284.03232	3.9
285.04056	14.4
287.02100	2.2
287.05582	5.1
289.07535	2.3
294.04092	12.9
295.04770	3.9
299.01938	9.4
299.05615	5.4
300.02692	20.9
300.99850	4.2
301.03418	5.2
309.04034	3.0
313.03604	8.8
314.04230	46.1
315.04755	4.6
322.03690	9.0
323.04263	9.3
324.04971	2.1
326.06650	4.7
327.05103	14.8
331.04611	2.5
332.66556	1.8
340.04599	40.5
341.05090	3.6
354.01752	3.5
354.06171	71.4
355.06747	8.1
370.05542	4.9
372.07214	100.0
373.07452	14.8
393.17642	3.3
437.16260	1.9
438.02679	1.8
452.02881	13.2
452.09329	8.7
453.19360	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	452.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.9
61.98694	2.6
65.00182	2.0
65.50785	1.2
65.99752	1.8
68.17290	1.2
69.03310	1.5
69.26044	14.1
70.45625	1.2
71.01242	3.8
72.85841	1.2
80.72622	1.3
85.02807	2.1
93.03325	4.1
96.95889	100.0
97.02843	2.3
98.78321	1.3
101.02336	2.9
109.02832	15.7
115.75831	1.6
118.73293	1.1
120.37215	1.3
121.02810	6.2
123.04441	1.3
124.01490	2.5
125.02393	1.3
129.97321	1.2
132.04434	2.4
133.02834	2.4
136.01566	1.7
136.03891	2.1
137.02328	21.8
139.03894	4.4
144.40247	1.3
146.02357	2.4
148.03854	1.2
149.02306	4.7
149.99449	3.4
151.00247	3.2
151.03854	4.1
153.01839	2.8
157.12251	1.5
160.03943	16.3
161.01164	2.0
161.02310	7.5
162.01930	1.5
163.00398	2.0
163.02678	3.3
164.01079	1.8
164.03387	2.6
165.01843	28.6
166.02319	1.9
167.03467	2.0
175.00223	5.1
175.03915	1.7
176.01042	2.1
177.01862	3.3
178.99728	3.1
180.70593	1.3
181.01353	1.5
183.02907	2.0
186.01840	3.8
187.00259	4.2
187.02625	2.8
188.03413	4.2
189.01932	1.9
190.01282	2.1
191.02107	4.0
191.67416	1.3
192.00566	6.2
193.01350	9.4
196.73227	1.4
199.03972	2.0
202.01239	1.9
203.02054	2.4
205.03647	2.4
206.04471	3.5
207.02898	4.3
208.30363	1.3
209.04420	1.3
214.01305	2.3
216.99983	2.7
218.00832	2.6
218.04485	2.1
222.04027	6.1
226.02611	2.3
227.03520	2.7
232.02382	9.1
234.03996	6.0
236.05569	5.8
240.04327	1.4
242.02058	2.1
243.02899	2.7
247.01192	2.3
255.02930	3.6
256.03638	1.4
258.07129	1.5
262.03482	5.0
266.02139	3.3
267.02838	2.0
268.03519	1.7
271.02463	30.6
272.02975	3.4
273.04019	1.6
275.05627	1.3
281.04333	1.6
283.06076	1.6
284.03345	4.6
285.03903	2.1
287.01987	2.4
287.05450	3.1
299.01935	49.5
299.05502	11.2
300.02396	7.1
312.02628	7.0
313.03348	2.6
314.04337	79.8
315.04657	11.3
316.02261	2.8
326.06671	2.4
327.01389	2.3
327.05045	20.7
328.05316	2.4
328.72952	1.4
331.04462	5.6
336.05023	4.0
340.04596	14.0
354.06186	91.9
355.06537	10.5
372.07205	64.7
373.07379	5.7
375.81223	1.5
434.01874	1.5
452.02835	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45395	0.5
54.88084	0.5
59.01196	1.6
69.25125	5.0
69.25442	0.6
71.01244	0.9
83.01174	0.6
89.02298	0.9
93.03318	1.1
95.04907	1.1
101.02253	0.7
103.05365	0.8
103.70979	0.6
108.02029	0.7
109.02830	25.7
110.03128	1.1
117.03282	0.9
119.04910	1.3
121.02834	1.3
122.03582	0.5
123.04408	12.9
124.04723	0.5
125.02302	1.2
133.02864	4.4
135.04330	1.5
137.02267	1.3
145.02785	2.4
147.04448	3.8
149.02266	1.2
150.03059	1.6
151.03905	6.2
159.04376	1.4
161.02354	7.2
162.03017	1.5
163.03813	0.6
175.03792	0.8
176.01015	0.6
177.01845	23.3
178.02235	1.2
187.03886	1.7
189.01851	52.9
190.02588	11.5
191.03413	12.5
201.01836	0.9
203.03445	5.3
215.98605	0.6
216.00604	8.6
217.01366	36.5
218.01886	3.6
219.02940	14.7
222.74115	0.5
231.02956	11.5
232.03610	1.6
233.04434	1.5
281.04291	0.8
289.07175	1.6
297.07648	1.0
323.05481	1.0
341.06625	100.0
342.06955	8.6
342.10892	1.0
357.05829	0.6
372.93918	0.6
432.69034	0.7
451.10339	21.1
452.10458	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	451.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.3
58.14848	0.7
59.01252	20.9
60.36903	0.6
61.98686	2.5
62.33921	0.6
66.91566	0.6
67.01741	0.9
71.01247	6.3
71.51527	1.0
72.99197	0.7
73.02811	2.2
75.00729	0.9
78.91772	1.6
83.01231	0.9
83.94253	0.6
85.02817	2.3
87.00753	0.9
89.02312	2.9
93.03363	1.6
93.82800	0.7
95.01291	1.1
96.95884	2.0
99.00698	0.7
99.04431	3.0
101.02307	4.3
109.02852	4.4
111.00750	0.9
113.02297	1.7
119.03382	1.5
119.04946	1.0
121.02827	1.4
123.04409	6.9
125.02302	3.1
130.06517	0.6
134.03641	1.6
135.04414	1.2
136.01563	0.7
136.05223	0.9
137.02333	19.8
138.03165	3.4
139.03868	1.2
143.03339	0.7
145.02916	0.9
147.00826	1.1
148.01538	0.8
149.02376	2.8
149.05986	1.9
150.03101	1.8
151.03915	22.7
152.04623	2.2
153.01813	1.4
153.05510	1.0
154.01282	0.7
154.02602	1.0
157.06529	0.8
161.02391	1.5
161.04414	3.0
162.03130	0.9
163.03885	2.5
164.01027	2.1
164.04703	2.2
165.01842	100.0
165.05452	8.1
166.02614	13.6
166.06242	6.7
167.03136	1.7
167.06998	1.2
173.04504	0.8
173.07130	1.6
173.11064	0.6
175.02403	0.8
175.03842	1.0
177.01863	2.9
178.02530	1.5
179.03429	17.0
179.05637	0.8
179.07066	2.6
180.04196	52.1
181.04968	25.8
181.08524	1.3
182.05299	1.3
189.01839	3.2
190.02626	0.8
191.03534	1.3
191.05397	1.0
194.05733	3.7
195.02849	1.8
195.06555	56.7
196.06883	3.1
210.05269	8.9
211.06050	13.8
216.22588	0.6
217.01349	2.7
219.02930	0.7
224.06844	1.5
225.07642	74.1
226.08051	4.1
231.02946	0.6
266.99338	2.4
268.78842	0.8
270.98849	0.6
271.10941	1.3
277.09708	0.7
282.82874	0.6
283.05826	0.7
289.07150	1.5
289.10635	0.6
303.21896	1.4
307.12869	1.0
311.05905	0.7
317.10541	0.7
319.17639	1.9
329.10278	3.3
341.06696	4.6
357.06094	0.8
371.11407	0.8
388.11484	3.8
401.00330	0.7
403.13953	41.6
404.14285	4.9
451.10623	1.9
451.16174	10.3
451.21945	0.8
452.16556	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	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32693	4.0
89.03823	0.4
95.04906	0.6
98.19755	0.7
108.02048	0.5
109.02834	18.4
117.03351	0.8
117.67985	0.4
119.04878	0.6
123.04406	7.7
124.04826	0.5
130.88240	0.4
133.02861	2.8
134.03622	0.5
137.02315	0.8
145.02826	1.0
147.04401	2.8
149.02327	0.6
150.03088	0.7
151.03923	5.0
153.60092	0.5
159.04337	0.6
161.02350	4.7
162.03108	1.3
163.03882	1.4
175.03900	0.5
176.01216	0.6
177.01846	18.1
178.02151	0.5
187.03841	1.4
188.04704	0.5
189.01854	30.3
190.02602	7.8
191.03430	6.1
200.26785	0.5
203.03415	2.9
216.00565	4.9
217.01355	22.6
218.01927	2.6
219.02902	8.8
220.03220	0.6
229.08672	0.6
231.02971	6.8
232.03528	1.1
233.04442	0.9
281.04419	2.3
287.05557	1.6
289.07166	1.7
297.07574	2.0
299.05606	3.7
323.05646	0.9
341.06631	100.0
342.06949	9.2
357.06335	0.7
378.72308	0.4
451.10294	21.0
452.10605	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94325	0.4
59.01245	1.0
65.00213	0.5
67.47751	0.4
69.19523	3.2
69.19939	0.8
72.99139	0.3
73.02821	0.4
78.38413	0.4
81.03316	0.4
86.14337	0.4
89.03825	0.6
91.01780	0.6
93.03330	1.0
95.04895	1.7
96.95891	0.5
98.19987	1.6
103.05424	0.7
105.03367	0.5
108.02065	0.5
109.02834	23.7
110.03136	0.6
117.03352	0.8
119.04884	1.2
121.02802	0.8
122.03633	0.6
123.04410	13.0
124.04795	0.4
125.02324	0.8
130.17346	0.4
133.02861	4.6
133.84750	0.4
135.04401	1.0
137.02359	1.1
145.02841	2.3
147.04425	4.8
149.02367	0.7
150.03116	0.6
151.03911	7.2
159.04468	1.8
161.02345	5.6
162.03078	0.7
163.03952	1.0
169.01387	0.4
172.05638	0.4
174.03214	0.4
175.03925	0.5
176.01068	0.7
177.01854	25.1
178.02133	1.2
187.03923	1.4
189.01857	57.5
190.02599	11.3
191.03418	11.2
192.03816	0.5
201.01862	0.5
203.03447	6.2
204.03664	0.5
216.00583	8.4
217.01366	34.0
218.01939	3.1
219.02936	12.5
219.05080	0.7
220.03384	0.7
220.53444	0.4
231.02945	10.6
232.03514	1.2
233.04503	1.4
240.62155	0.4
281.04510	0.9
287.05609	0.4
289.07230	2.4
297.07642	0.9
299.05475	2.1
323.05627	1.7
327.05161	0.5
341.06628	100.0
342.06992	10.5
451.10312	23.6
451.15244	0.4
452.10617	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	451.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.3
61.98704	0.9
63.10679	0.5
64.46349	0.3
65.00197	0.5
68.73776	0.4
68.99717	0.7
69.03336	0.9
69.24473	3.4
71.01254	6.7
72.01634	0.4
72.99181	0.5
73.02837	1.5
81.03306	1.0
83.01260	1.1
85.02811	3.4
87.00765	0.7
89.02326	1.3
91.01785	0.7
93.03331	2.2
95.01263	2.0
95.04937	0.4
96.99197	0.8
97.02843	0.8
99.00756	0.5
101.02319	3.5
107.01293	1.3
107.04904	0.5
108.02051	29.4
109.02837	38.8
110.03188	1.1
111.00777	2.0
113.02326	2.8
119.03403	0.7
119.04875	0.8
121.02849	1.8
121.06469	0.4
123.00748	3.5
123.04414	1.6
124.01536	0.6
125.02345	6.1
133.02803	0.5
135.00772	2.3
135.02919	0.7
135.04420	1.6
136.98714	0.5
137.02344	3.8
139.00293	2.0
139.03865	0.4
140.01085	0.6
145.02861	0.4
149.02344	0.9
150.03151	0.4
151.00209	2.3
151.03920	2.0
152.01051	46.7
153.01836	54.0
154.02200	1.6
159.04427	0.6
161.02359	1.0
161.04549	0.6
163.03912	2.2
165.01848	0.8
166.02521	0.7
167.03375	0.9
168.00517	0.5
169.01337	6.0
171.02879	0.6
173.02264	0.5
175.03951	0.6
177.01852	1.3
178.99785	0.4
179.03490	1.8
181.04971	1.4
183.02945	0.4
185.02202	0.5
185.11758	0.5
193.01244	1.0
193.05026	0.5
195.02919	2.3
199.50330	0.4
201.01643	0.4
203.03647	0.4
205.05078	0.4
205.08629	0.8
211.02451	2.1
225.03917	1.1
229.01239	0.4
237.04005	0.7
243.02919	0.5
245.00914	0.9
246.00943	0.4
273.00375	1.4
274.01007	2.5
275.01752	1.7
276.09503	0.5
281.06638	0.5
288.02744	0.7
289.03915	0.4
289.07101	1.5
291.12427	0.7
297.06143	9.8
300.99738	1.7
313.05621	1.3
315.07181	10.0
316.07504	0.7
317.99182	0.5
347.11267	1.1
375.10529	0.6
389.12564	0.8
407.09970	14.4
408.10181	1.2
433.07733	1.2
451.08685	100.0
452.03934	0.5
452.09055	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.1
59.01250	4.4
60.01581	0.7
61.01672	0.6
61.98702	100.0
69.51886	0.6
71.01254	1.1
72.01576	0.2
72.99193	0.3
73.02820	0.2
75.00712	0.1
77.14503	0.1
78.95778	0.1
83.01261	0.1
83.04912	0.1
85.02835	0.3
85.66947	0.1
87.00778	0.1
89.02327	0.6
89.32719	0.1
90.02592	0.1
92.14113	0.1
93.03359	0.5
96.95949	0.1
101.02317	0.6
102.02690	0.2
103.02814	0.1
104.78687	0.1
107.01284	0.1
109.02890	0.2
109.82988	0.1
113.02343	0.4
114.02704	0.3
119.03395	0.1
120.99483	0.2
123.00762	0.2
123.04411	0.1
125.02347	0.8
135.02930	0.2
135.04410	0.2
137.02336	0.8
139.00279	0.3
151.00258	0.4
151.03900	0.1
153.09109	0.3
154.09486	0.2
161.04427	0.6
162.04852	0.2
163.05006	0.2
166.02603	0.1
169.01315	0.7
173.04474	0.2
179.03481	0.2
183.10316	0.1
187.07600	0.1
188.07965	0.1
189.01656	0.1
191.05569	0.3
192.05919	0.2
200.04207	0.2
215.06944	0.1
217.01118	0.2
225.14908	0.5
226.15202	0.8
227.15604	0.4
228.15849	0.4
231.10448	0.1
232.08415	0.1
232.10597	0.3
239.05624	0.2
243.99953	0.1
245.00838	0.4
246.01274	0.1
246.20775	0.1
271.99527	0.3
273.00229	0.8
274.00803	0.5
275.01819	0.2
275.09247	0.2
276.09674	0.2
287.02005	0.1
288.15295	0.1
299.98770	0.2
300.99792	0.3
313.05716	0.3
316.99207	0.4
317.99695	0.4
327.96036	0.1
375.10895	0.1
388.20917	0.2
389.20917	0.1
390.21164	0.7
406.05408	0.3
450.03882	0.8
450.20544	0.2
451.08710	1.4
464.09476	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26469	0.4
55.01739	0.5
57.03317	1.2
59.01248	100.0
59.09815	0.3
60.01591	1.3
60.27391	0.3
61.41010	0.4
61.98703	0.9
65.00188	0.4
70.51515	0.4
71.01253	8.5
71.04891	1.2
71.05261	0.8
73.02823	2.1
75.00745	0.7
81.07775	0.4
83.01262	1.5
83.18744	0.3
85.02818	2.8
87.00757	0.6
89.02316	3.7
93.03338	0.8
93.97832	0.3
95.01281	0.9
97.02872	0.5
99.00768	1.4
101.02313	5.7
113.02324	4.1
119.03381	1.7
125.02341	5.5
135.04427	0.5
139.07520	0.8
149.02309	0.7
151.00294	1.6
153.09094	0.5
155.10693	3.7
159.02928	1.4
159.04388	0.6
161.04465	7.9
165.01891	0.9
173.04436	1.0
173.05846	0.3
178.99806	1.0
179.05562	0.8
183.10228	0.4
187.07550	0.9
191.05531	0.4
193.01402	0.4
203.10771	0.4
209.15205	0.4
212.22691	0.4
215.07047	0.5
227.06876	0.4
227.16467	7.2
243.06676	0.6
259.06116	4.6
260.06577	0.4
265.57166	0.4
267.07312	0.4
269.04602	3.5
275.09109	2.8
283.10492	0.5
287.05573	2.2
323.26727	0.4
329.06674	0.4
340.21884	0.4
389.21802	7.7
390.22083	0.9
433.94348	0.4
449.11130	2.4
449.16647	0.7
449.24112	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	449.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91051	0.3
59.01247	2.8
61.98691	0.8
70.07772	1.1
71.01248	0.3
78.95771	53.0
93.03314	0.3
96.96834	6.1
101.02328	0.6
133.02803	0.7
135.04375	1.0
150.97945	1.6
152.99480	100.0
153.99812	1.7
161.02325	2.7
170.66821	0.2
171.00554	4.1
173.04471	0.4
177.01794	0.3
191.05548	0.4
214.99818	0.3
275.08917	0.3
276.10260	0.2
287.22284	0.3
295.22620	0.6
310.29385	0.2
449.22961	11.7
449.32138	1.4
450.23508	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05750	0.6
55.01754	0.9
57.03315	1.4
58.00463	1.2
58.99475	1.0
59.01250	100.0
60.01584	1.2
61.98700	11.4
64.00174	0.6
65.00196	1.2
67.01762	1.2
69.03318	1.3
69.28310	6.5
71.01254	24.8
72.99184	4.7
73.02815	7.8
75.00760	0.8
81.03356	0.9
83.01252	3.3
83.04897	2.2
85.02821	20.2
87.00745	6.0
89.02316	19.9
89.03831	0.9
90.02644	0.7
93.03323	13.8
95.01277	2.5
95.04879	1.6
96.95895	1.7
97.06477	1.2
99.00757	1.7
99.04366	1.2
101.02309	14.7
101.02921	1.3
102.98466	5.7
105.03344	3.6
107.01266	1.7
108.02081	1.4
109.02844	4.1
109.99952	3.9
110.71832	0.7
111.00736	1.5
111.04428	5.2
113.02322	10.1
117.03329	2.2
119.03397	10.5
119.04880	3.9
121.02801	1.8
123.00748	1.7
123.04413	1.9
124.01546	1.6
124.07591	2.3
125.02354	2.9
127.03893	3.4
129.01881	1.0
131.03406	1.3
133.02838	13.2
134.03633	19.6
135.04413	12.1
137.02345	5.5
137.99432	1.3
139.00282	4.7
139.03908	1.2
143.03406	2.2
148.05206	8.6
149.02324	1.9
149.04404	0.9
149.05975	1.9
150.03117	1.0
151.00258	6.2
151.03876	1.1
152.00946	0.8
153.01830	3.1
153.09137	2.0
155.03406	4.7
155.10728	1.4
159.02873	1.6
159.04385	0.8
160.01563	1.0
161.02356	2.8
161.04448	12.0
161.05692	1.1
162.03136	7.1
163.03900	0.8
165.01920	1.1
165.98988	3.7
166.99765	4.2
171.02824	0.8
172.05229	1.1
173.04463	18.3
173.05824	1.1
174.03159	2.6
174.04680	0.8
174.06775	4.6
175.03955	1.2
175.07596	0.8
177.01826	11.2
178.02634	5.8
179.05519	7.4
180.00525	1.5
180.04150	1.8
180.05638	0.7
181.01343	1.9
187.07581	2.0
191.05537	93.9
192.05914	3.7
193.01190	0.8
200.04753	1.3
201.09145	1.8
202.06197	1.1
203.10703	23.5
204.11067	1.5
209.11722	0.9
209.15433	2.1
213.05484	1.0
213.09084	1.2
214.69025	0.7
217.01389	1.2
225.14906	1.6
227.12842	3.0
227.16431	1.5
229.08669	5.5
231.07983	1.5
231.10229	23.5
232.10597	2.4
243.03062	1.5
243.06544	0.9
247.09747	2.4
255.02802	0.7
257.08176	20.9
258.05319	0.8
258.08453	2.7
269.13919	1.8
269.17526	0.9
271.02322	0.7
272.02664	1.0
273.03009	0.7
275.09247	84.4
276.09583	8.0
285.04068	0.8
286.04837	6.7
286.08066	1.0
287.05630	15.1
287.08899	1.0
287.14868	9.6
288.05930	1.5
288.15491	0.9
300.02536	1.0
301.20105	1.5
303.03970	1.1
316.01965	1.4
339.05051	1.5
389.21848	17.3
390.21997	1.9
407.07703	1.9
431.22678	2.0
449.09363	13.3
449.14734	10.6
449.23831	24.4
450.11230	2.5
450.23996	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04937	0.9
57.03347	1.0
58.69195	0.8
59.01251	100.0
60.01571	1.3
60.10661	0.9
61.98694	1.3
65.00195	2.6
71.01254	10.5
71.31119	1.9
72.99239	0.9
73.02817	4.9
83.01256	5.3
85.02811	2.6
87.00753	1.2
89.02320	8.3
93.03326	2.9
95.01276	1.0
99.04399	3.8
101.02322	7.5
102.23429	0.8
102.24110	0.8
107.01263	6.6
107.04909	0.9
108.02067	2.4
109.02843	1.7
113.02343	3.6
118.81016	0.9
119.03391	2.7
123.04398	2.6
125.02318	1.5
131.03471	1.0
135.04417	26.5
135.05450	1.3
137.02319	4.4
151.00278	35.7
152.01089	4.7
153.09007	1.0
165.12802	1.8
167.03371	4.2
173.04530	1.4
175.00354	2.4
180.90939	0.8
187.07642	0.9
191.05571	3.0
202.06297	1.0
207.13872	7.1
209.11766	15.7
225.14915	11.1
227.12842	37.8
228.13123	1.9
231.10132	1.6
232.83878	1.0
251.12770	3.3
269.04584	5.2
269.13943	32.8
270.14236	2.0
275.09271	1.8
281.06674	3.7
287.05652	28.4
287.14996	75.7
288.05936	2.5
288.15414	5.6
311.15002	2.5
329.12415	1.1
329.15936	5.6
359.17065	2.7
389.18039	8.9
431.46396	0.9
449.10706	3.9
449.20209	24.8
450.20700	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	449.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54173	5.6
59.01247	75.3
61.98699	8.3
65.01285	5.8
69.14894	5.4
69.15218	69.1
71.01246	23.9
73.02790	9.7
81.80993	5.3
84.12778	5.3
84.39774	6.2
85.02829	12.1
89.02332	16.6
93.03339	5.8
99.00726	5.0
101.02308	21.2
109.49230	5.2
111.00744	5.1
113.02352	6.5
134.03604	7.3
135.04396	10.3
135.99625	5.2
137.02364	8.7
137.09570	6.7
189.01855	13.3
191.05321	6.6
202.06174	5.1
251.16493	100.0
252.16797	7.6
287.09210	7.2
300.02560	11.1
317.19565	16.5
376.02490	6.2
384.31393	6.7
431.09030	9.9
434.08438	7.1
449.10284	39.8
449.18988	7.3
449.27289	20.6
450.10510	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	81.6
68.43939	1.3
69.03307	1.7
69.61855	10.5
71.01241	6.2
73.02820	3.7
74.03052	1.5
83.01266	4.2
83.04884	1.7
85.02824	9.1
87.00744	6.4
89.02313	2.6
93.03330	5.1
95.01253	1.4
99.04373	1.9
101.02308	2.6
109.02772	3.3
111.04372	3.4
113.02358	2.7
115.90406	1.4
127.03861	2.0
129.01816	1.6
135.04440	1.8
137.02371	2.3
139.00217	2.3
143.03415	2.3
146.03548	1.9
155.03392	2.4
159.04405	3.6
161.77657	1.5
165.12779	1.7
172.05208	5.2
173.04451	7.4
173.05966	7.5
178.99748	1.7
187.03893	5.2
187.05907	3.1
187.07594	48.0
188.07999	3.5
191.05551	82.0
192.05879	3.3
199.03883	2.1
200.04703	2.8
201.05492	7.0
201.09023	2.1
202.06314	17.7
203.10707	3.0
207.13814	3.7
209.11844	7.9
213.09142	15.3
214.09575	2.0
215.07065	12.6
225.14900	8.0
227.12849	47.1
228.13200	2.7
229.08644	5.3
231.06526	5.7
231.10242	27.9
232.10619	3.4
251.12682	2.1
255.02843	1.9
257.08215	15.1
258.08514	2.1
268.64224	1.7
269.13904	14.6
271.02460	5.8
272.99283	2.3
275.09259	49.3
276.09503	3.2
284.37576	1.7
287.15015	100.0
288.15427	8.0
298.98581	1.7
299.01987	2.9
299.99142	4.8
300.99225	5.8
301.99609	12.4
311.14963	1.8
315.01566	1.8
316.02133	9.8
317.02640	11.3
329.15979	6.8
359.17007	3.2
389.17859	10.5
422.50647	1.6
449.06647	23.0
449.14304	6.3
449.19568	8.8
450.06662	2.6
464.14288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03646	0.2
58.57220	0.3
59.01255	2.2
63.80154	0.3
65.00207	0.4
67.86848	0.3
69.21111	3.2
83.01286	0.3
83.04874	0.3
89.18018	0.3
101.02329	0.4
108.02066	0.5
109.02797	0.6
109.99993	0.8
111.00751	1.7
117.50369	0.3
123.00767	0.5
124.01534	1.5
136.01537	1.3
136.98674	0.7
137.02362	0.3
139.00276	2.5
139.03906	0.3
140.00072	0.2
140.01047	6.3
151.00246	0.4
152.01070	2.8
153.01849	4.9
165.98976	7.4
166.99757	1.4
168.00546	48.8
169.00914	2.0
173.04536	0.3
173.05962	0.6
181.01332	7.7
225.05482	0.6
243.06583	18.3
244.06898	1.1
253.05093	0.5
254.05826	4.4
255.06563	4.5
256.06992	0.6
267.06604	0.5
271.06104	26.3
272.06873	100.0
273.07263	8.5
286.08478	0.8
287.09235	79.7
288.09540	6.2
369.51089	0.3
431.31958	0.4
449.14499	60.5
449.32413	3.6
450.14853	7.5
450.20825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.2
61.98694	0.8
65.00185	0.4
71.01241	0.6
71.50737	0.5
75.94171	0.4
77.84593	0.4
83.01263	0.5
85.02808	0.4
96.95901	0.5
101.02309	0.7
109.02823	0.9
109.99980	0.8
111.00739	1.0
122.05893	0.4
123.00710	0.5
135.04414	0.5
137.02324	0.6
139.00285	2.6
140.01057	7.4
153.01842	6.5
165.98976	8.1
166.99753	0.8
168.00549	51.6
169.00862	2.0
181.01346	8.0
187.03798	0.4
217.01355	0.6
243.06544	1.2
251.16554	0.5
254.05789	4.0
254.52974	0.5
255.06595	5.2
271.02789	0.4
271.06186	2.3
272.06882	89.2
273.07227	6.4
275.09268	0.9
286.08221	0.8
287.09238	100.0
288.09543	10.2
300.02579	0.6
449.09058	0.7
449.14545	0.8
449.20035	0.5
449.28387	0.5
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
57.03309	0.9
59.01246	54.8
69.03336	0.5
69.25415	5.1
70.63654	0.4
71.01250	3.0
73.02817	4.7
83.01260	2.9
85.02812	1.8
87.00739	1.8
87.71941	0.5
89.02312	1.1
93.03356	1.1
98.20589	0.8
99.04395	2.0
101.02307	3.5
109.02820	0.6
109.06491	0.7
111.04364	1.0
112.07518	0.5
113.02321	2.3
133.02692	0.5
135.04430	1.2
137.02402	0.6
146.03601	0.6
151.00267	1.1
159.04449	0.7
165.12703	1.8
172.05244	1.0
173.04422	1.7
173.05896	1.1
187.07562	10.1
188.07986	0.7
191.05519	18.3
201.05521	1.5
202.06268	4.4
207.13853	4.8
209.11792	7.3
213.09212	2.8
213.10912	0.4
215.07108	3.3
225.14906	10.0
227.12834	41.6
228.13217	2.4
229.08627	1.8
231.06641	1.2
231.10217	7.7
232.10533	0.6
251.12881	1.6
257.08130	3.1
269.13931	17.8
270.14230	1.1
275.09225	12.0
276.09604	0.8
287.14981	100.0
288.15323	7.0
289.07092	0.7
293.13934	1.7
311.15079	1.6
323.15125	0.5
329.15985	7.6
359.16971	2.8
371.17194	0.5
389.18118	12.0
390.18683	0.9
449.14297	1.5
449.20169	12.4
450.20575	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	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44309	0.5
55.01745	1.2
55.14581	0.5
57.03321	1.6
59.01249	16.1
61.98698	1.1
67.01764	4.5
69.03320	1.9
71.01248	13.7
71.04846	0.7
72.99170	1.2
73.02811	4.2
75.00705	0.6
76.81151	0.4
81.03324	1.3
83.01284	2.4
83.04899	0.7
85.02814	5.5
87.00740	1.5
88.50751	0.4
89.02329	3.4
93.03331	29.1
95.01254	1.0
95.04939	0.6
96.95880	0.6
97.06443	1.0
98.20591	0.9
99.00761	1.8
99.04401	0.6
101.02319	10.3
108.02039	2.9
109.02849	2.1
111.00750	1.2
111.04415	5.0
113.02316	3.7
119.03432	0.6
121.02862	2.6
124.01604	0.7
124.37756	0.5
125.02331	1.7
127.03864	0.5
131.03394	3.3
133.02859	6.7
134.03636	12.7
135.04425	11.6
136.04710	0.7
137.02333	7.5
139.03922	0.7
143.03435	1.0
148.91583	0.5
150.03171	0.7
151.00281	0.9
151.03894	1.5
155.03395	4.1
159.02892	0.6
161.04457	3.9
165.01889	0.8
173.04465	100.0
174.04807	3.1
177.01860	3.3
178.02625	7.0
179.03409	3.8
189.01787	0.5
191.05537	4.2
197.98569	0.5
218.60941	0.5
231.10214	1.0
257.04535	11.9
258.04932	0.6
271.02344	0.8
272.06882	6.6
275.09271	7.8
276.09512	0.8
286.08572	1.0
287.09210	8.4
287.14688	0.5
298.12054	0.6
300.02240	0.6
301.03229	0.5
308.08936	1.6
316.05392	0.6
317.19696	12.5
352.07944	6.4
353.08228	0.6
449.09521	1.4
449.14435	2.1
449.23941	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00629	0.5
52.38929	0.5
54.22175	0.4
54.91532	0.5
59.01252	8.6
61.98692	0.5
67.01757	1.0
69.03329	2.1
71.01254	4.0
71.04870	0.5
71.27916	1.0
73.02829	1.1
81.03349	0.6
83.04902	1.0
85.02824	10.3
85.57108	0.4
87.00752	8.9
89.02318	2.2
93.03332	7.2
93.16921	0.4
99.04390	0.7
101.02309	1.7
109.02845	2.4
111.04398	3.4
113.02338	1.0
121.04941	1.2
121.10139	2.1
124.01573	0.7
125.02256	0.6
127.03889	2.0
129.01793	0.6
135.04417	1.4
137.02361	1.8
141.45703	0.5
146.03625	1.2
149.05968	2.2
151.00243	1.5
151.07605	0.5
152.01108	0.6
155.03368	3.4
157.06448	0.5
158.03622	1.4
159.04396	5.0
159.08043	0.7
160.04999	0.5
161.02361	1.0
161.04361	0.6
164.01050	0.8
171.02919	0.5
172.05229	6.6
173.04451	9.2
173.05998	7.4
174.06650	1.0
175.07578	1.0
178.99760	1.4
180.07915	0.7
182.03648	0.9
183.04437	1.6
183.10197	9.5
184.05173	1.0
185.06041	0.8
185.09650	0.5
187.04012	4.6
187.07562	52.7
188.04652	0.8
188.07927	3.2
191.05533	100.0
192.05893	3.8
197.06091	0.9
198.06755	0.8
199.03951	1.2
200.04674	3.3
201.05501	10.9
201.09229	1.2
202.06279	18.6
203.03467	0.5
203.06804	1.4
203.10689	2.6
204.04228	1.4
211.07446	0.7
213.09137	15.6
214.02679	1.1
214.09474	1.1
215.07074	15.7
216.07712	3.1
227.03511	1.9
227.12788	0.7
228.04166	1.3
229.08661	10.4
230.09264	0.8
231.06712	8.5
231.10205	35.3
232.03772	1.0
232.06944	0.6
232.10597	2.4
242.02132	1.0
247.09709	0.7
257.08163	11.3
258.08490	1.4
259.02359	1.5
265.09122	0.8
270.01746	1.0
271.02481	6.0
271.99835	0.6
272.02896	0.6
275.09247	67.4
275.87186	0.5
276.09570	5.3
283.10181	3.1
287.01938	3.2
287.14987	2.2
288.02563	0.6
311.09320	0.7
316.02219	17.9
317.02844	6.0
345.13354	2.3
357.13455	0.7
405.11792	0.9
449.07257	9.8
449.14490	9.7
449.19928	0.8
450.07678	1.1
450.14853	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	449.1092
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
59.01249	8.4
61.98712	0.5
62.27210	0.4
63.02271	0.8
65.00198	9.5
65.00526	0.7
66.06385	0.4
71.01269	2.5
72.99165	0.6
73.02799	0.6
75.00756	0.9
83.01257	5.1
83.04900	0.5
85.02830	2.7
87.00772	0.5
89.02322	1.5
93.03324	2.7
95.31530	0.5
95.39093	0.4
97.01575	0.7
98.05982	0.5
98.19833	1.5
101.02327	1.3
105.03328	0.7
107.01276	18.8
108.02096	0.8
109.02814	2.8
111.00773	1.2
111.04405	0.9
113.02338	1.2
117.03355	0.5
120.08039	0.4
124.07568	5.7
125.02336	4.8
133.02838	3.8
134.03633	6.5
135.04414	72.2
136.01517	0.5
136.04729	3.1
137.02325	1.5
145.02849	0.6
148.05211	1.4
151.00276	100.0
152.00603	3.6
155.03418	0.7
159.04362	0.6
160.01607	1.2
161.02379	2.2
162.03159	2.3
164.01042	0.7
165.01836	0.8
169.01353	2.0
173.04482	4.9
174.03098	1.0
174.06776	0.6
175.03918	1.9
177.01868	3.4
177.05745	0.5
178.02631	2.2
191.05527	15.4
196.00150	0.5
203.10753	3.8
210.75685	0.4
214.02621	0.7
227.12886	0.5
229.08583	0.8
229.53351	0.6
231.10239	7.0
243.06589	0.6
243.14938	1.3
257.08221	3.5
268.54352	0.4
269.04437	0.6
271.02481	0.6
275.09247	20.4
276.09598	1.3
285.03757	0.6
287.05621	79.2
287.14005	13.0
288.05972	7.1
288.14340	1.3
297.09644	0.6
301.03329	0.7
301.15573	0.8
302.03360	0.6
303.03842	0.8
329.14972	1.6
337.09323	1.3
389.08902	0.5
389.21906	0.5
449.10626	25.3
449.23730	0.8
450.11099	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	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.73613	0.4
57.03318	0.7
59.01245	7.3
61.98710	3.4
68.99705	0.4
70.15223	0.5
70.15557	1.9
71.01242	2.3
81.03343	1.1
83.01260	0.5
85.02815	2.2
87.00764	0.4
89.02312	1.3
93.03331	5.5
95.01268	0.5
95.04887	0.5
97.02794	0.6
99.00690	0.4
101.02314	1.0
105.03351	0.8
107.01265	1.1
108.02048	100.0
109.02879	14.5
110.03225	0.4
111.04400	0.7
113.02331	1.2
117.61330	0.5
119.04902	1.6
120.99549	0.5
121.02860	1.2
121.74748	0.4
123.00784	0.8
123.04405	2.3
125.02309	1.4
127.03999	0.4
133.02827	4.0
134.03621	5.7
135.00729	0.6
135.04422	7.4
137.02338	12.0
138.02721	0.8
139.03893	0.5
141.56169	0.4
144.51949	0.4
145.02762	0.5
149.02339	1.0
151.00278	3.8
151.03909	3.4
152.01053	50.1
153.01839	14.3
154.02130	0.7
155.03400	0.9
161.02286	1.1
162.03122	1.6
163.03914	1.7
163.26978	0.4
165.01833	1.5
166.99776	0.9
167.03383	0.8
169.01285	1.0
173.04456	4.6
175.03899	0.7
177.01851	2.9
178.02589	0.9
181.01372	0.6
187.07533	1.3
191.03668	0.8
191.05519	10.0
195.06612	0.6
213.09148	0.7
215.07109	1.1
225.05534	0.5
225.07634	0.7
231.10194	4.3
243.02988	0.6
243.06590	0.9
255.02994	1.1
257.08099	2.1
269.04733	0.6
271.02374	0.5
273.03009	0.9
275.09235	12.8
276.09659	1.0
287.05643	5.5
287.14954	1.3
290.79028	0.5
301.02933	0.5
301.20230	1.2
302.03522	0.8
313.05627	0.7
316.02234	0.8
359.20871	1.1
407.07770	1.6
449.10818	50.9
450.11050	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	449.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	2.4
58.60695	1.2
59.01246	33.8
61.98669	2.9
65.00175	2.9
67.01723	3.6
69.03325	1.8
69.24641	1.7
69.25043	10.2
71.01250	13.6
72.99183	1.4
73.02821	5.5
75.00717	1.2
80.00729	1.0
81.03317	2.1
82.72920	1.2
83.01248	3.1
83.04909	1.5
85.02818	9.9
87.00732	2.8
89.02298	6.1
93.03323	17.7
95.01213	3.7
99.00684	1.8
100.26728	1.0
101.02325	7.7
105.03300	2.2
107.01266	3.1
109.02851	9.4
109.99953	3.6
111.00716	5.1
111.04341	4.6
113.02271	4.4
123.00736	4.0
123.04336	1.4
124.01550	2.8
125.02289	4.4
127.03829	1.4
133.02774	3.8
133.03741	1.1
134.03558	5.4
135.00682	1.3
135.04347	2.6
136.98613	2.2
137.02344	8.8
137.99457	2.7
139.00262	5.7
146.03601	1.6
151.00269	14.6
151.03909	1.2
152.01070	8.0
153.01750	2.2
155.03322	4.5
155.04715	1.2
158.03583	1.6
159.04379	2.3
161.02254	2.6
161.04404	3.9
161.05644	1.3
162.03056	1.4
163.00281	5.7
164.00977	4.4
164.98199	1.3
165.01819	1.8
165.98972	5.7
166.99704	4.3
171.04395	2.3
172.05188	6.6
173.04468	54.6
173.05920	3.7
174.03020	1.7
174.04614	1.4
174.06706	1.2
175.03844	2.7
177.01826	1.4
178.02464	1.6
178.99783	15.1
183.02928	1.3
183.04424	2.0
183.10237	2.1
185.02264	1.5
187.03963	6.6
187.07573	52.1
188.04639	1.4
188.07825	1.7
189.01813	3.0
191.05542	34.0
192.00415	1.5
199.03825	5.1
200.04639	2.8
201.01674	2.9
201.05554	5.6
202.06180	4.8
203.03354	3.8
203.10606	1.7
204.04100	1.7
206.99191	1.9
208.00023	2.1
213.09140	11.2
214.02486	2.3
215.03343	4.6
215.07091	5.7
216.03990	1.5
227.03471	9.9
227.12694	1.2
228.03770	2.6
229.03716	2.2
229.08472	4.8
231.02756	4.0
231.06583	36.7
231.10167	26.7
232.03427	2.5
232.06696	2.3
232.10457	1.3
241.01274	1.7
242.02234	5.6
243.02959	9.2
245.00951	1.3
245.04440	2.7
255.02914	10.4
256.03265	4.0
257.03497	4.7
257.08176	10.6
259.02332	4.3
260.03146	1.6
269.04480	10.3
270.01855	6.2
270.04306	1.7
270.99316	2.2
271.02460	35.9
271.99454	1.5
272.03018	8.1
272.99393	1.5
273.04062	11.2
275.09253	55.5
276.09286	3.7
284.03232	1.8
285.03714	3.5
286.03751	4.1
287.01926	10.7
287.04694	2.2
287.14819	3.2
288.02661	8.9
289.03204	2.2
298.00958	2.1
299.01923	31.4
299.98898	4.4
300.02267	3.7
300.99380	7.1
301.02374	1.7
301.20013	3.8
301.99619	12.4
314.00577	1.3
315.01419	6.6
316.02164	72.4
317.02930	79.7
318.03110	5.0
389.17670	1.6
389.21808	18.9
394.52161	1.2
405.11899	1.5
431.06152	2.1
449.06903	100.0
450.07526	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	449.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01006	0.7
59.01254	9.3
59.42165	0.6
63.02244	0.9
65.00179	1.9
69.03312	0.8
69.97961	2.9
71.01232	1.5
83.01250	1.1
85.02822	2.4
87.00740	1.6
89.02318	1.2
93.03317	1.9
98.19952	0.9
101.02320	0.8
107.01254	3.3
109.02820	1.4
111.04384	0.7
124.01571	4.0
125.02335	1.4
135.00748	1.0
136.01514	1.0
137.02353	4.3
146.23157	0.6
148.01546	0.7
148.67667	0.6
150.99158	0.7
151.00281	9.7
152.00977	1.1
159.04387	1.7
161.04482	0.8
163.00261	2.0
164.01108	3.3
165.01826	1.1
172.05165	1.7
173.04439	2.0
173.05994	1.6
174.77315	0.6
175.03877	0.7
178.99777	9.1
181.08694	0.7
187.03906	1.8
187.07587	7.0
190.02658	0.7
191.05537	14.4
192.00414	0.7
192.92946	0.7
198.03152	0.6
199.03868	1.8
200.04581	1.0
201.05504	1.0
202.06282	2.5
203.03389	2.0
204.04221	1.5
213.09119	1.7
214.02647	10.7
215.03357	2.2
215.07077	2.5
227.03395	2.2
229.08589	1.1
231.02994	1.1
231.06648	0.9
231.10260	6.0
232.03537	0.9
241.01591	0.7
242.02179	8.8
243.02946	7.0
244.03613	1.1
257.08185	1.3
259.02478	11.6
260.02820	0.9
270.01740	7.5
271.02469	57.5
272.02737	3.9
273.04022	1.1
275.09232	10.6
276.09665	0.7
283.10184	1.3
287.01974	35.3
288.02408	4.0
316.02216	100.0
317.02914	32.6
317.06738	1.4
318.03250	1.6
359.04440	0.8
449.07233	64.3
450.07556	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	449.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34832	0.2
55.01723	0.3
57.03305	0.5
59.01248	14.4
60.01563	0.5
61.98700	9.2
63.02259	0.4
64.07317	0.2
65.00182	0.5
70.81891	0.4
70.82229	0.6
71.01253	4.2
73.02800	1.1
73.26457	0.3
74.90564	0.2
75.00729	0.4
83.01242	0.9
83.04876	0.3
85.02817	2.2
87.00712	0.7
89.02301	2.5
90.02621	0.3
91.01754	0.2
93.03329	2.9
95.01241	0.3
95.04890	1.9
96.95877	0.5
97.02856	0.3
99.00718	0.3
101.02322	3.4
107.01276	1.6
108.02034	0.7
109.02820	1.9
111.00772	0.3
111.04425	0.4
112.54492	0.2
113.02326	1.9
113.03029	0.3
119.03365	0.8
121.02769	0.3
122.03635	2.7
123.00751	0.7
123.04478	1.2
124.01559	3.5
125.02351	1.3
135.00760	0.8
135.04387	0.6
136.01517	0.8
137.02339	6.6
138.02730	0.4
143.03362	0.3
147.04352	0.3
148.01596	0.4
149.02341	0.3
149.04449	0.3
149.99365	0.3
150.03116	0.3
151.00256	6.0
152.01051	1.8
153.01845	0.5
155.03400	0.5
158.03560	0.3
159.04390	0.9
160.01480	0.3
161.02399	0.4
161.04434	0.8
163.00272	1.4
164.01071	1.8
165.01753	0.5
165.05431	0.3
169.01286	0.8
173.02263	0.4
173.04492	1.7
175.03860	0.3
175.07500	0.3
177.01831	0.5
178.99779	6.7
179.03444	0.3
181.08659	2.0
186.03088	0.4
187.03911	1.1
187.07552	1.1
189.01743	0.5
191.05524	3.3
192.00514	0.6
193.01372	0.3
195.69537	0.2
198.03069	0.4
199.03922	0.4
201.05511	0.5
202.06261	0.6
203.03412	1.0
204.04185	0.6
213.09074	0.5
214.00685	0.4
214.02652	7.7
215.03404	1.4
215.07083	0.8
216.00500	0.4
217.01376	0.5
225.14847	0.3
227.03401	1.1
227.12808	0.6
229.08595	0.4
231.02887	0.6
231.10158	1.8
232.03624	0.8
241.01385	0.3
242.02180	6.4
243.02957	4.6
243.06491	1.3
244.00056	0.8
244.03421	0.7
245.00804	1.0
259.02472	7.2
260.02823	0.9
267.10892	1.5
269.04593	0.7
269.14124	0.3
270.01675	7.6
271.02463	45.0
271.99561	1.8
272.02805	3.4
273.00351	1.4
275.09201	2.5
281.06711	2.1
285.07578	0.4
287.01978	24.8
287.14954	1.1
288.02438	3.7
289.02954	0.3
298.98276	0.7
299.01727	0.5
315.01401	1.1
316.02206	100.0
316.99316	1.5
317.02811	21.2
318.00122	0.3
318.03223	1.2
388.20807	0.5
389.21735	1.6
405.04681	0.3
405.06125	0.3
405.11819	2.9
420.35263	0.3
449.07272	51.4
450.07581	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	449.036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21394	0.9
59.01251	25.2
61.98692	1.3
68.99677	0.9
69.18700	0.9
69.41024	2.4
69.41434	5.4
71.01237	5.0
72.99159	1.0
75.00753	1.9
83.04879	1.8
85.02827	2.1
87.00761	1.8
89.02316	4.0
93.03351	1.6
95.01208	1.2
99.00742	1.0
101.02319	3.9
102.98476	2.5
113.02296	3.3
115.30876	0.8
119.03430	1.9
123.00755	2.0
125.02338	2.8
132.02051	5.0
135.02843	1.0
135.04399	4.9
145.02821	3.1
148.01529	2.9
149.02283	1.0
151.00246	1.7
155.03427	1.0
159.04338	1.7
160.01563	8.6
161.02306	3.1
161.04436	2.5
163.00430	1.2
169.01328	4.2
172.01575	2.0
173.02390	2.0
173.04457	3.2
173.05872	1.0
176.01021	1.2
181.08713	1.3
187.00243	1.2
187.07550	4.8
188.01048	7.5
189.01808	4.1
191.05499	5.0
192.00562	1.6
200.01071	5.4
201.01762	2.8
202.06250	1.8
214.99757	2.2
216.00563	23.1
217.01273	6.6
218.01947	1.0
226.99730	1.1
228.00452	1.9
229.01350	2.1
231.10175	3.4
232.00043	3.0
242.99338	5.3
243.97508	1.2
244.00082	26.1
245.00868	30.0
246.01314	1.3
257.00989	0.9
258.01645	1.0
259.99527	1.8
269.97983	3.0
270.98807	20.4
271.02008	1.0
271.99597	72.0
273.00366	59.5
274.00763	4.4
275.09232	14.8
286.01108	2.9
287.01895	1.3
287.14893	1.2
287.98746	1.5
288.99670	2.2
297.97485	5.3
298.98318	30.5
299.98990	9.9
300.99817	4.2
302.00244	1.3
312.99890	1.5
313.05545	1.7
315.01190	1.4
315.98535	26.4
316.02042	1.7
316.99329	41.3
317.99734	2.7
328.99573	1.1
389.21674	3.3
405.04623	16.8
406.05270	3.7
421.04068	2.8
431.02493	4.3
432.03442	1.7
433.04318	1.2
449.03561	100.0
449.10541	3.4
450.03925	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	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.3
56.03607	0.3
58.00455	0.5
59.01249	20.1
60.27448	0.3
65.47224	0.3
68.99676	1.0
69.03329	0.3
71.01260	3.8
73.02794	0.5
78.95770	5.9
85.02821	1.0
88.37742	0.3
89.02321	4.4
95.01257	1.1
98.20597	0.7
101.02322	4.4
110.98416	5.1
113.02362	1.6
119.03401	1.6
123.04439	1.9
143.03452	0.3
149.04460	0.3
151.00075	0.4
152.99480	0.5
153.09088	0.6
155.03401	3.1
161.04449	0.9
167.01030	2.4
179.05496	1.1
183.08005	0.3
185.02136	4.0
225.07639	1.5
225.14919	1.4
239.28581	0.4
255.02837	0.5
279.23282	100.0
280.23636	10.5
284.03244	0.7
285.04025	1.2
300.02652	0.5
301.03564	0.5
387.20120	0.7
440.11844	0.3
447.09329	1.6
447.25284	5.8
448.25623	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	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	1.4
59.01250	27.3
60.22681	0.7
67.46480	0.7
68.99712	1.0
69.98629	1.6
69.99025	1.4
71.01271	4.9
73.02816	0.8
78.95773	19.3
85.02812	1.9
89.02309	4.8
98.19853	0.7
101.02293	4.6
110.98417	12.5
113.02338	2.6
119.03374	2.0
123.04355	1.0
143.03351	1.0
150.52075	0.6
152.99437	1.3
153.09109	1.2
155.03391	2.6
155.74300	0.7
161.04475	3.5
167.01065	12.7
185.02148	3.4
225.07664	1.8
225.14885	3.0
271.02496	1.6
279.23288	100.0
280.23633	9.9
285.04169	1.3
300.02740	2.6
301.03445	1.1
387.20386	1.6
447.09091	1.4
447.25259	17.3
448.25482	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
59.01253	8.4
60.01588	0.9
61.01671	0.8
61.98704	100.0
62.98415	0.3
64.28192	0.2
66.85895	0.3
69.52199	1.7
70.33302	0.2
71.01258	2.5
72.99189	0.2
73.02809	0.4
83.01266	0.3
85.02840	1.0
87.00768	0.6
89.02305	2.7
90.02676	0.4
91.02744	0.3
93.03342	0.9
95.04945	0.3
98.20569	0.2
101.01243	0.2
101.02317	1.5
107.01307	0.5
109.02842	0.7
111.04383	0.3
113.02356	0.7
119.03400	1.0
120.03780	0.3
121.02868	0.3
121.04942	0.6
125.02339	5.6
125.06007	0.3
125.87923	0.3
135.04430	0.5
137.02324	0.5
138.24403	0.2
149.02347	0.5
150.03253	0.3
151.00287	1.7
153.01843	0.7
161.04459	0.6
165.01843	0.5
165.04100	0.2
165.05525	0.2
172.05240	0.2
173.04478	1.5
173.05843	0.4
175.03894	0.3
178.99762	0.6
179.03474	0.3
179.05498	0.3
181.06126	0.2
181.08620	0.5
183.10201	3.8
187.07643	1.0
191.05544	0.5
201.05528	0.3
215.07092	0.3
223.09735	0.2
223.16051	0.2
231.10312	0.4
243.06636	0.3
259.06064	4.4
265.09418	0.4
267.07361	0.5
269.04541	4.8
269.07312	0.3
275.09341	2.0
276.89883	0.2
283.10315	2.9
287.05588	3.3
449.10916	4.1
449.16647	0.9
459.96564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.6
55.20103	0.3
57.01619	0.3
57.03312	2.0
58.00461	0.8
59.01249	19.7
69.03322	1.0
69.26748	3.6
70.10915	0.3
70.28130	0.4
71.01250	42.9
72.01557	0.7
72.99175	1.4
73.02816	19.9
74.03145	0.4
75.00747	0.8
77.83737	0.3
81.03323	0.5
81.92416	0.4
83.01252	6.8
85.02822	20.3
85.99948	0.8
87.00750	2.2
89.02314	8.2
95.01263	2.8
97.02825	2.5
98.20565	0.8
99.00751	8.5
101.02318	39.3
102.02647	0.7
108.43417	0.4
111.00760	1.0
113.02325	18.9
114.02620	0.4
115.03897	1.4
125.02319	2.3
129.01781	1.0
131.03389	2.1
143.03429	2.4
149.04420	1.3
153.07123	0.4
153.12744	0.8
159.02907	3.6
161.04459	23.2
162.04788	0.8
174.14189	0.4
191.05470	0.6
205.03569	0.5
233.06667	1.2
295.02454	1.4
296.03159	0.5
301.03464	0.7
315.18106	54.3
316.18396	4.6
328.00479	0.6
359.16873	0.9
361.03912	0.9
443.72577	0.4
447.07507	2.0
447.22327	100.0
448.08939	0.4
448.22662	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	7.2
55.94930	0.3
57.03320	6.8
58.00464	2.8
59.01247	68.2
60.01583	0.5
68.99686	0.6
69.03323	1.6
69.37904	2.8
71.01250	100.0
72.01581	1.4
72.99173	3.7
73.02814	29.2
74.03148	0.5
75.00737	1.8
81.03331	0.5
83.01254	14.2
84.02032	0.5
85.02818	48.4
85.99952	0.7
86.03159	0.8
87.00745	3.8
89.02312	22.8
95.01257	7.5
95.04872	0.4
97.02824	2.7
99.00753	12.9
100.01099	0.4
101.02317	67.5
102.02649	1.6
109.02804	0.4
111.00754	0.9
113.02325	38.5
114.02682	1.0
115.03910	0.4
119.03378	6.4
121.02960	0.3
123.04402	2.0
125.02325	2.7
129.01820	1.4
131.03391	48.1
132.03745	1.0
143.03403	5.1
149.04437	1.7
151.00259	0.4
151.03893	0.5
159.01651	0.6
159.02893	8.0
161.04456	53.6
162.04774	1.7
178.99753	0.4
179.05493	1.3
183.04431	0.6
191.05536	1.2
195.04430	0.9
205.03406	1.3
208.03685	0.4
211.03947	0.9
212.04686	0.4
215.19466	0.3
223.03967	1.1
223.05917	0.5
227.03339	0.8
239.03436	1.4
250.02826	0.4
251.03285	0.6
255.02901	0.6
266.02344	0.4
267.03107	1.7
268.03638	1.0
271.02469	0.6
277.92090	0.4
282.01743	2.4
283.02283	1.5
295.02457	21.9
296.03104	6.6
297.03864	1.7
299.99509	0.4
300.02753	1.2
301.03555	0.8
309.04166	1.0
315.18085	73.6
316.18448	7.3
322.01154	0.6
323.01956	4.9
324.02301	0.5
325.03452	1.2
328.02124	1.1
337.03537	0.5
359.16815	0.9
447.07172	23.0
447.21967	2.3
448.07504	3.3
454.64557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.6
57.03319	3.3
58.00471	1.8
59.01249	37.3
68.99668	0.4
69.03326	1.3
71.01251	68.9
72.01587	1.3
72.99163	2.3
73.02817	25.7
75.00746	1.1
81.03334	0.6
83.01257	8.1
85.02820	27.8
85.99982	0.8
86.03142	0.4
87.00755	2.7
89.02309	23.8
95.01260	4.8
97.02833	2.7
98.20509	0.8
99.00754	10.6
99.04420	0.4
101.02319	45.3
109.02858	0.4
109.10142	0.3
111.00765	1.4
113.02328	26.3
114.02702	0.4
115.03918	1.8
119.03383	3.3
121.09995	0.3
123.04408	0.6
125.02318	3.3
129.01825	1.1
131.03398	6.4
136.18134	0.3
143.03401	3.1
149.04446	4.5
159.02899	4.7
161.04459	31.1
162.04814	0.8
164.09021	0.3
172.14653	0.4
173.04739	0.3
179.05551	0.6
191.05556	1.2
205.03491	0.5
215.05496	0.4
233.06549	1.5
267.02954	0.6
268.03748	0.4
276.93939	0.3
282.01654	0.3
285.03909	0.5
293.08975	0.8
295.02423	4.1
296.03116	1.3
297.04163	0.4
300.02731	0.4
311.73999	0.4
313.92682	0.4
315.18097	48.8
316.18521	3.8
323.01968	0.3
359.17081	0.5
399.84476	0.3
429.25522	0.4
447.07614	5.6
447.22327	100.0
448.07877	0.6
448.16464	0.7
448.22662	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
58.00444	0.5
59.01250	100.0
60.01591	1.5
60.53353	0.4
61.98694	0.9
62.38164	0.5
62.39345	0.6
63.65066	0.5
69.03313	0.6
69.43915	0.4
71.01251	14.5
71.51410	0.5
72.99174	2.2
73.02818	3.1
75.00754	3.5
83.01249	0.9
85.02832	5.1
87.00761	1.4
89.02319	12.7
93.03358	1.3
95.01287	0.7
99.00759	1.1
101.02323	10.3
102.98508	0.4
106.06523	0.5
107.01266	0.9
107.04932	0.9
108.02058	0.5
109.02892	1.3
109.06439	0.6
112.96519	0.4
113.02325	6.1
113.03054	0.5
119.03396	5.2
119.04868	0.7
120.99555	1.0
121.02862	1.1
123.04445	1.0
125.02354	1.5
131.03418	1.3
135.04449	0.9
137.02368	0.7
137.09625	0.7
139.03912	1.0
143.03418	1.0
145.02887	1.9
147.11671	0.8
148.01613	0.8
149.04475	0.7
151.00247	3.2
151.03854	1.0
153.09167	0.8
155.03409	0.7
159.03033	0.5
161.02406	1.0
161.04469	5.8
163.00308	1.2
163.03867	0.5
163.11206	1.5
165.01883	0.6
165.12749	3.7
169.01361	0.6
173.04535	0.8
174.03000	0.5
175.04019	1.2
177.01851	0.5
178.99823	1.3
179.05583	2.2
187.03975	0.6
189.12764	1.5
191.05573	1.4
199.04082	0.8
203.03307	0.6
205.05037	0.8
207.13857	4.8
208.14348	0.5
211.03998	1.0
212.04808	0.5
223.16997	0.9
225.05608	2.3
225.14926	2.3
227.03496	1.3
229.05029	0.5
229.08772	0.6
234.71558	0.5
240.04234	0.6
243.03062	1.9
245.04451	0.6
255.03011	4.9
256.03522	0.7
268.03802	0.6
269.04611	0.6
270.05402	0.6
270.99036	2.4
271.02557	13.0
271.99884	0.4
272.03000	1.7
282.01770	0.5
284.03369	0.8
285.04147	1.1
285.07693	1.6
285.13852	0.8
285.17160	2.3
291.06369	0.6
295.02542	1.2
296.03284	1.7
298.98456	3.6
299.02087	4.2
299.18625	1.9
299.99203	14.3
300.02826	16.9
300.99722	2.4
301.03580	12.7
302.03806	1.0
314.00757	2.1
314.04440	3.6
315.01495	10.4
315.04822	0.9
315.17526	0.6
316.02136	1.0
359.18820	1.1
387.20139	6.8
388.20538	0.8
447.09320	10.6
447.21817	6.3
448.09494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.48997	0.5
55.01762	6.2
56.98742	0.6
57.03327	4.2
58.00471	4.2
59.01250	83.2
60.01585	1.0
61.98695	3.8
65.00191	0.5
68.99693	0.6
69.03319	1.4
69.85865	2.7
71.01254	100.0
72.01584	1.4
72.99173	6.4
73.02820	32.8
75.00739	2.4
79.28461	0.5
79.57929	0.5
79.95585	0.5
81.03332	1.1
83.01258	13.5
83.04919	0.8
85.02824	39.7
85.99971	0.6
87.00750	5.3
89.02316	60.0
91.60345	0.5
93.03355	1.1
95.01254	5.9
96.95872	0.6
97.02832	3.4
99.00759	17.2
99.04408	1.1
101.02322	78.8
102.02674	1.9
103.03860	0.6
104.80563	0.5
107.01280	0.9
108.02088	0.6
109.02846	2.0
111.00768	2.5
113.02332	39.4
114.02664	1.0
115.03892	2.4
119.03393	17.1
119.04747	0.6
121.02863	1.4
123.04397	1.2
125.02336	6.2
125.05944	0.6
126.02718	0.7
129.01862	2.6
131.03395	23.4
132.03731	0.7
135.04466	0.6
137.02330	0.9
143.03419	6.7
149.04460	9.5
151.00272	2.4
153.09126	1.4
159.02885	5.5
161.04469	31.6
162.04755	0.8
165.01900	0.8
167.10689	5.2
173.04591	1.2
174.02966	0.5
175.03943	0.9
178.99773	1.2
179.05545	6.0
180.46947	0.5
180.84006	0.5
191.05540	7.2
205.03535	1.4
211.03976	0.9
211.13383	3.0
225.14876	2.2
227.03473	0.7
233.06595	2.6
241.08684	1.3
243.02910	1.8
255.02953	4.2
267.02890	0.9
270.98947	1.5
271.02472	6.3
272.02832	0.8
279.10999	0.6
284.03137	0.8
285.03958	0.6
285.07718	0.7
293.08820	1.9
295.02393	4.4
296.02979	1.2
297.03519	0.6
297.11896	0.8
298.98349	1.9
299.01938	2.8
299.18649	0.6
299.99084	7.9
300.02719	11.9
300.99683	0.8
301.03494	9.8
314.00964	0.8
314.04333	2.5
315.01407	5.0
315.05093	2.4
315.18106	65.3
316.01788	1.1
316.18405	5.1
359.17355	1.1
387.20227	1.0
388.07932	1.4
447.08307	8.8
447.22327	97.3
448.09210	1.2
448.22690	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
57.03307	2.4
58.00457	3.5
59.01249	100.0
60.19802	0.8
65.00188	5.6
68.99711	0.8
69.03318	1.1
71.01250	76.4
71.08199	1.1
71.08528	1.4
71.62504	0.8
72.01597	1.0
72.99177	3.3
73.02820	23.0
83.01247	7.2
85.02814	16.7
87.00745	3.0
89.02313	99.3
92.99678	0.8
95.01248	3.9
96.99211	1.0
97.02779	2.1
99.00754	28.0
101.02318	53.1
102.02675	1.1
107.01241	1.1
109.02859	1.5
109.99964	3.4
113.02327	21.9
115.03847	1.1
119.03384	18.0
121.02826	4.4
125.02337	5.5
131.03392	16.3
136.98709	6.8
137.02339	1.7
137.99486	1.4
143.03366	5.2
149.04454	49.6
151.00285	1.5
161.04488	8.3
163.32875	0.9
164.96866	1.6
164.98203	19.1
165.01830	12.6
165.98927	5.8
171.04430	2.2
179.05524	6.1
181.01331	3.2
190.99875	0.9
191.05540	14.6
193.01334	3.0
199.03929	0.9
203.39133	0.8
213.05542	1.0
215.03383	1.6
221.06630	1.5
226.02559	1.4
227.03397	2.8
233.06573	3.0
241.04999	7.1
242.05725	2.4
243.02884	6.1
244.03265	1.2
251.07654	3.0
254.02147	1.9
255.02956	3.4
259.41028	0.9
269.04538	23.0
270.05267	13.9
271.02472	51.0
271.05429	2.4
272.02890	4.6
283.65836	0.9
285.07663	39.1
286.08051	2.6
297.04034	1.3
299.01953	69.4
299.99127	1.9
300.02533	17.4
301.03354	2.1
309.07437	1.1
314.04306	74.8
315.05060	52.3
315.18118	16.1
316.05536	5.4
327.08496	2.4
328.04248	1.0
432.10529	2.9
447.08679	42.1
447.22272	46.4
447.43875	1.0
448.09085	6.7
448.22513	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	447.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28389	0.2
59.00955	0.4
59.01246	8.4
59.93542	0.2
61.98694	0.6
62.96281	0.4
68.01291	0.2
68.99667	0.3
70.80061	0.5
71.01236	1.8
76.19466	0.2
78.76160	0.2
78.95770	55.4
85.02815	0.5
89.02312	1.7
95.01259	0.4
96.96832	7.3
101.02315	2.0
101.67597	0.2
101.78671	0.2
113.02354	0.6
119.03400	0.6
123.04404	0.9
131.03328	0.3
149.00015	0.9
150.97922	2.1
152.99478	100.0
153.09123	0.5
153.99785	1.3
155.03398	1.4
161.04480	0.7
171.00542	5.1
179.05493	0.3
194.88304	0.3
195.13824	0.3
211.13327	0.3
225.07558	0.6
225.14845	0.3
243.02927	0.3
255.03027	0.7
271.02441	1.1
284.03174	0.5
285.03943	1.1
293.21414	0.5
298.98373	0.3
299.01938	0.6
299.99097	0.7
300.02728	1.8
301.03418	1.3
314.04227	0.5
315.01407	0.8
315.04996	0.5
387.20200	0.5
447.08914	1.1
447.13647	3.4
447.21530	11.4
447.31268	0.6
448.21872	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
56.72100	0.2
57.03320	0.7
58.00463	1.1
59.01248	100.0
60.01581	1.1
61.98701	0.9
66.92297	0.2
69.53602	1.8
71.01250	20.7
72.01588	0.4
72.99184	1.0
73.02813	1.7
75.76277	0.2
76.37788	0.2
79.95602	0.4
81.95184	0.3
83.01251	0.9
85.02816	3.6
87.00777	1.4
89.02313	34.5
90.02670	0.4
95.01259	1.2
96.95876	0.6
97.02837	0.5
98.95503	0.5
99.00768	0.6
101.02318	12.5
102.02650	0.3
113.02330	9.8
115.03849	0.4
116.32732	0.2
119.03391	14.7
120.03767	0.5
121.02848	0.3
123.00771	0.4
123.04353	0.5
125.02340	0.8
131.03378	1.7
135.02838	0.3
137.02313	0.4
137.09561	0.6
139.00201	0.3
143.02393	0.3
143.03400	3.6
149.04460	1.5
151.00308	0.3
153.01764	0.3
161.03255	0.5
161.04456	6.8
163.00269	0.4
165.01849	0.3
176.14980	0.2
179.05528	13.3
180.05740	0.4
207.13884	0.5
208.81741	0.3
225.11232	0.6
225.14922	3.4
271.02484	0.3
273.07678	0.3
285.03708	0.6
300.99707	0.3
370.70697	0.3
387.16074	0.4
387.20306	3.5
388.20529	0.5
447.01663	0.3
447.14313	0.4
447.21689	0.4
467.17465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18545	1.3
55.69864	1.1
59.01247	55.4
60.17636	1.2
61.98695	3.8
68.45385	1.4
68.99673	1.9
71.01242	11.3
71.49944	1.2
71.50337	1.8
72.99162	2.5
78.95771	57.3
83.01245	1.6
85.02834	2.9
89.02319	11.2
93.03309	1.5
95.01245	8.9
96.96826	4.7
101.02319	10.7
102.44925	1.1
107.80223	1.2
108.02023	6.2
109.02845	10.9
110.03146	1.3
113.02321	4.3
116.43826	1.1
119.03392	3.7
123.00772	2.8
123.04420	2.8
137.02312	4.8
138.03117	100.0
138.56619	1.2
139.03471	2.6
151.00244	3.8
151.60869	1.5
152.99484	73.9
153.05472	66.7
153.08989	2.1
154.05865	3.7
155.03426	5.2
161.04427	3.4
165.01865	2.7
171.00536	1.5
173.02318	1.3
174.03076	4.4
178.75687	1.1
181.04968	17.5
185.02559	1.2
192.78146	1.1
197.02405	1.6
200.04698	1.5
202.07747	2.9
203.08574	6.8
205.10156	5.4
213.05591	3.1
215.06998	3.0
217.06593	1.4
219.08055	2.1
221.09549	1.9
225.07671	3.0
225.14883	4.9
227.07019	3.0
228.07813	5.9
230.07216	1.3
231.08145	7.6
243.03087	2.1
247.07657	4.6
249.09151	5.8
255.02998	4.9
270.99518	1.7
271.02472	11.3
271.09702	12.5
274.50000	1.4
275.07126	31.5
276.07425	3.3
284.03268	1.6
285.04034	4.6
290.08252	1.6
293.08063	7.1
295.02460	2.1
298.98517	2.2
299.01956	4.5
299.99075	6.0
300.02716	15.3
301.03494	13.6
302.03500	1.3
306.10611	1.7
309.09222	4.4
314.00461	1.4
314.04190	3.6
315.01428	3.9
315.05157	5.4
321.09390	3.4
337.08560	11.1
338.09470	1.4
352.10922	4.3
353.11887	2.7
385.14407	53.2
386.14825	8.8
387.20227	3.4
411.12305	25.4
412.12704	2.2
429.13541	14.5
430.13596	1.6
447.09790	12.9
447.14484	2.3
447.21637	15.2
447.31299	9.2
462.62238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00367	0.5
59.01112	10.7
59.01451	5.2
61.98612	0.6
62.62490	0.5
65.00050	4.0
65.00431	1.4
68.99593	0.6
71.01105	7.8
71.01547	2.4
72.99063	0.6
73.02671	2.3
75.00618	1.2
83.01135	0.9
85.02677	1.3
87.00655	0.7
89.02159	11.7
89.02760	2.0
92.99547	0.5
95.01141	0.8
96.99058	0.6
97.02700	0.8
98.19807	1.7
99.00584	3.5
101.02161	6.7
108.99102	0.7
109.02721	1.1
109.99809	9.1
110.00632	0.8
111.00635	0.9
113.02158	2.2
119.03213	2.1
121.02666	1.1
123.00590	1.0
123.04311	0.8
124.01440	0.5
125.02192	0.9
125.99297	1.6
126.83652	0.5
128.31233	0.5
131.03381	2.7
136.98701	14.1
137.02139	0.8
137.99290	3.0
139.00183	0.5
139.89795	0.5
141.98877	0.5
149.04456	6.7
151.00177	1.2
152.00888	1.2
161.04332	1.2
163.00143	1.0
163.03719	0.5
163.48773	0.5
164.98221	5.1
165.01842	3.1
165.98991	7.6
167.10561	1.3
169.06502	4.1
171.04428	7.7
173.05934	0.5
178.99640	2.2
179.05363	0.7
180.00394	0.8
181.01196	0.9
181.06424	1.1
181.66412	0.5
189.98856	0.6
191.05466	1.9
193.01187	0.8
197.05945	1.1
199.03815	1.7
201.01764	0.5
209.11647	0.9
213.05562	2.8
225.05432	0.8
226.06229	1.0
227.03343	0.9
241.05017	50.7
242.05476	5.1
243.02911	2.2
243.06477	0.7
253.04929	1.2
254.02087	0.7
255.02983	1.5
267.06656	2.0
269.04544	100.0
270.05231	33.9
271.02505	15.3
271.05652	2.5
272.02951	1.3
284.03915	0.7
284.07013	1.3
285.07669	59.4
286.07983	5.0
294.05350	1.1
295.02658	1.1
295.06235	0.9
297.11813	1.0
298.98758	1.0
299.01941	17.4
299.09042	0.6
299.99216	1.8
300.02722	6.3
301.00308	0.5
301.03473	2.3
309.07800	2.8
312.06369	0.7
314.04297	18.3
315.01501	1.2
315.05032	17.2
315.17953	0.9
316.05624	1.6
327.08795	3.6
339.09238	0.6
387.20932	0.7
432.10568	19.1
433.11487	2.2
447.13464	50.0
447.22275	2.5
448.13818	7.3
448.23001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13643	0.2
58.63993	0.2
58.95221	0.2
59.01243	1.5
61.98684	0.6
62.96281	1.2
69.36250	0.2
69.36539	1.7
78.95773	39.4
96.96830	2.5
98.19839	0.4
101.02307	0.2
120.60410	0.2
148.99992	20.1
150.00375	0.4
151.01466	0.2
152.99451	0.3
158.92445	1.5
179.01079	2.5
205.15921	1.5
211.13297	0.2
225.14706	0.3
240.96719	0.4
267.11591	0.3
271.02481	0.4
272.55222	0.2
279.97296	0.2
285.12735	0.3
296.33145	0.2
300.02640	0.5
301.03378	0.3
347.08209	0.6
400.20953	0.2
417.12329	1.0
431.10220	3.1
431.15515	0.4
432.10831	0.3
447.13400	100.0
448.13745	10.9
464.09854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	9.4
59.01433	7.5
65.00031	4.6
65.00415	2.2
68.99580	0.8
71.01089	6.3
71.01529	2.7
71.51997	0.8
72.99040	1.0
73.02652	2.0
75.00602	1.5
78.05269	0.6
83.01109	1.4
85.02687	0.8
87.00614	1.0
88.08326	0.6
89.02128	11.1
89.02744	2.5
93.84280	0.6
95.01163	0.6
99.00565	3.7
101.02132	6.5
101.02849	0.8
108.99040	1.0
109.02654	1.0
109.99789	10.2
110.00590	1.4
113.02132	2.3
113.02824	0.8
114.48270	0.6
117.62353	0.7
119.03185	2.2
121.02679	0.7
123.00633	1.1
125.02171	1.5
125.99313	1.9
131.03198	2.7
131.04091	0.9
136.98506	14.5
137.02252	1.3
137.99258	4.3
141.98836	0.9
143.42511	0.6
149.04443	7.3
151.00037	1.8
152.00859	1.1
163.00061	0.6
164.98196	5.2
165.01834	3.6
165.99007	8.9
167.10550	1.0
169.06516	4.0
171.04420	7.8
172.04881	0.6
173.05850	1.2
178.99751	1.6
180.00423	0.8
181.01205	1.1
181.06406	1.6
191.05426	2.3
191.10553	0.8
193.01181	0.8
197.05916	1.0
199.03792	1.6
201.05424	0.8
211.03764	0.8
213.05412	2.6
225.14772	1.0
226.06172	0.9
227.03256	0.9
241.05028	50.5
242.05496	6.2
243.02884	1.8
253.05009	1.3
255.02910	1.7
267.06628	1.5
269.04541	100.0
270.05258	34.8
270.95792	0.7
271.02524	19.3
271.05682	2.8
272.02954	1.5
283.05939	0.9
284.06989	1.4
285.07657	62.3
286.08044	5.9
295.02679	0.8
295.05887	0.6
299.01938	16.9
299.99176	3.2
300.02747	6.4
301.03372	3.4
309.07620	3.3
314.04291	20.7
315.01538	1.8
315.05014	17.6
315.18185	1.0
316.05460	1.9
327.08640	4.1
360.89865	0.7
432.10553	19.5
433.11603	1.8
447.13519	48.6
447.23294	1.5
448.13705	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70956	0.4
59.01252	3.6
65.00213	1.2
66.23231	0.3
69.28494	3.9
71.01260	4.0
72.26742	0.4
73.02816	1.1
83.01264	0.7
85.02843	1.2
87.51548	0.4
89.00217	0.5
89.02293	2.3
97.02837	1.0
98.19843	0.9
99.00778	1.1
101.02312	3.7
104.58547	0.3
109.02840	3.9
113.02322	1.7
119.03355	0.7
121.02829	6.2
127.67816	0.4
131.03398	1.4
139.03963	0.6
147.00819	0.6
149.02304	0.7
149.04520	0.5
149.99467	0.5
151.00293	1.3
153.57874	0.4
161.04506	1.0
163.00250	1.0
165.01845	20.2
166.02162	0.8
175.03922	0.7
178.84724	0.4
187.03992	0.4
191.05595	0.6
193.01381	3.4
199.03947	2.9
201.01910	0.5
203.03424	0.6
215.03470	1.3
216.04285	0.5
226.02695	2.2
227.03424	3.5
228.04097	1.1
242.02190	0.4
243.02994	7.4
244.03452	0.7
254.02173	2.8
255.02925	3.2
256.03641	1.2
257.04514	0.6
259.06091	1.0
269.04568	2.6
270.01907	0.8
271.02475	64.2
272.02890	5.5
285.04050	2.0
287.05725	1.6
297.04123	1.1
299.01956	95.8
299.99030	0.9
300.02579	19.1
301.03046	0.9
314.04312	91.3
315.05075	100.0
315.17905	3.5
316.01736	0.6
316.05438	9.9
339.26907	0.4
433.10052	0.5
447.09299	53.4
447.22211	5.1
448.03946	0.7
448.09628	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	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
59.01248	31.4
59.83929	0.8
65.00194	1.4
68.99680	1.3
70.16885	2.8
71.01251	18.0
72.99176	2.5
73.02827	2.1
75.00755	6.7
83.01251	1.5
85.02820	26.9
87.00745	5.2
89.02327	6.1
95.01253	8.4
97.02857	1.2
98.19656	0.7
99.00751	11.5
101.02316	4.3
103.00248	4.5
111.00758	1.8
113.02329	52.4
114.02679	1.0
115.00251	2.8
117.01804	3.3
119.03369	1.1
120.16545	0.8
123.00730	0.9
123.42704	0.7
124.01537	18.1
129.01822	2.7
139.03915	7.8
151.00259	1.3
152.01051	56.7
153.01419	1.6
153.09129	1.2
155.03438	1.5
157.01347	1.1
161.04420	3.2
165.01820	5.1
175.02400	13.3
175.03784	1.6
177.77522	0.8
209.15363	1.7
211.13371	1.7
225.07715	1.2
225.14911	3.2
227.16399	1.0
243.02866	1.3
247.05064	0.8
255.02942	3.3
256.07336	6.5
271.02441	7.6
271.09732	100.0
272.10046	8.2
284.03351	1.2
285.04062	2.0
299.01950	3.3
299.99091	5.3
300.02725	8.9
301.03574	6.2
314.00854	1.4
314.04297	4.2
315.01294	3.1
315.05060	4.0
387.20300	1.3
447.08905	5.9
447.31528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03602	0.6
57.03310	1.4
59.01250	12.0
60.52425	0.5
61.98702	0.6
63.02279	0.6
65.00183	1.1
65.54697	0.5
67.18778	0.6
69.98340	2.2
71.01248	3.8
73.02817	1.0
83.01237	1.4
85.02822	4.2
87.00734	0.8
89.02304	4.2
93.03342	0.6
93.25072	0.6
95.04890	2.2
101.02330	3.1
101.50825	0.5
103.03907	4.4
107.01259	3.9
108.02039	1.2
109.02860	2.7
113.02330	1.4
119.03385	1.9
119.04907	1.5
120.26711	0.5
121.02853	2.7
123.04418	0.6
125.02324	1.1
135.00734	0.9
137.02316	0.8
137.05977	0.6
148.01549	1.4
149.02376	0.9
151.00269	12.2
155.10648	1.2
157.06419	0.6
161.04485	0.6
163.00304	3.1
169.01302	0.9
173.04140	0.5
174.03119	1.2
178.99814	6.5
179.05464	0.7
181.08592	1.9
183.04424	1.7
183.10092	0.6
187.03870	1.5
199.03932	0.8
199.09569	0.6
201.01761	0.6
201.05577	0.7
203.03307	0.6
211.03960	3.2
211.46074	0.5
215.03365	1.0
216.00595	0.7
223.09650	1.0
226.02760	1.2
226.05531	0.4
227.03444	59.6
228.03836	4.0
229.04974	2.0
239.03421	1.0
242.99362	1.2
243.02936	7.0
244.00006	0.6
244.03589	0.6
245.04404	1.6
247.08401	0.6
254.02141	1.0
255.02956	92.7
256.03500	12.3
257.04413	1.1
258.01706	0.5
265.09280	7.7
270.98822	13.1
271.02432	33.6
271.99155	1.0
272.02921	3.3
273.03989	0.7
283.02533	1.7
284.03256	52.2
285.03967	24.1
286.04382	1.5
297.00409	0.7
298.98361	15.5
299.01862	1.3
299.99051	65.1
300.02710	48.3
300.99570	6.6
301.03445	40.4
302.00983	0.5
302.03735	2.8
312.99655	0.7
314.00714	9.3
315.01440	58.4
316.01804	5.9
327.05008	1.2
343.03949	1.0
387.20663	0.6
447.04321	13.5
447.10117	100.0
447.18073	12.9
448.04642	2.3
448.10535	11.7
448.18835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90130	0.6
63.02274	0.6
65.00195	1.3
66.27048	0.6
69.31432	0.9
69.31768	6.0
83.01270	1.5
90.33253	0.6
93.03368	0.6
107.01269	4.5
108.02035	1.4
109.02827	2.4
121.02835	3.5
126.49444	0.6
148.01579	1.2
151.00266	17.4
159.04413	0.7
163.00298	5.1
164.00983	0.8
169.01308	1.0
169.49635	0.6
175.03801	0.6
178.99786	9.2
179.65120	0.7
183.04346	0.8
185.54793	0.7
187.03812	0.9
199.03940	0.8
201.05363	1.0
211.03903	2.1
215.03467	0.9
226.02571	1.5
227.03450	3.5
227.59489	0.6
228.03839	0.8
229.04950	0.9
239.03300	0.7
243.02991	9.4
244.03590	1.0
245.04504	3.0
254.02127	1.3
255.02957	27.3
256.03308	2.2
271.02469	48.9
272.02954	5.8
273.03885	2.1
283.02466	3.8
299.02112	1.6
300.02734	100.0
301.03485	75.7
302.03812	6.7
373.56244	0.6
399.97849	0.6
447.09296	61.7
448.09622	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	445.2956
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
50.77412	0.6
57.03296	1.0
59.01253	9.3
61.98709	1.7
71.01245	1.7
71.50664	0.7
71.51048	0.7
78.85839	0.7
89.02314	1.3
92.76669	0.7
101.02304	0.7
103.53662	0.6
119.03398	0.7
121.02805	0.9
179.10701	1.8
209.11797	1.3
217.15817	0.6
218.57539	0.7
245.19302	0.7
247.20634	0.8
261.22290	0.6
285.22247	6.0
286.22382	0.8
301.25360	2.5
313.25290	1.1
315.63364	0.7
325.25217	1.4
327.23300	0.9
327.26834	1.6
341.28452	7.4
342.28595	0.9
355.26334	1.3
357.31558	1.6
383.29474	1.3
401.30533	1.9
427.28244	1.1
445.29520	100.0
446.29810	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	447.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65971	0.6
65.11020	0.7
68.74534	0.7
69.19813	2.8
69.20238	4.2
96.07626	0.7
136.55127	0.7
215.03384	0.8
216.00531	0.8
240.13132	0.6
242.99306	2.3
244.00133	1.1
270.98843	21.3
271.01630	0.7
271.99216	2.3
281.06088	0.7
298.94867	1.1
298.98285	23.7
299.99084	100.0
300.99542	8.6
312.99707	1.0
314.00684	12.7
315.01440	75.8
316.01785	5.5
398.48718	1.0
447.05624	55.4
448.06006	5.6
462.67374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
61.75531	0.2
67.20216	0.3
160.01511	0.3
200.01120	0.7
214.99881	0.3
216.00571	0.7
242.99368	1.4
243.99994	1.1
270.98828	19.7
271.99371	2.0
285.97507	0.4
298.98315	27.4
299.99084	100.0
300.99448	8.4
312.99905	1.0
314.00662	9.8
315.01443	58.7
316.01794	5.4
328.98962	0.3
387.20273	0.4
423.49924	0.3
447.05637	40.8
448.05988	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27936	0.3
59.01249	4.7
59.72653	0.3
61.98702	0.4
62.58839	0.3
66.13616	0.3
71.01228	1.0
75.34592	0.3
76.51004	0.3
78.95774	6.4
81.47324	0.3
86.91278	0.3
89.02318	0.5
98.77892	0.3
98.79256	0.3
101.02288	0.4
110.98411	6.1
143.91670	0.3
145.41162	0.3
152.99539	0.5
167.01036	3.1
174.03177	0.3
179.46120	0.3
183.55199	0.3
185.02130	4.2
209.11720	0.4
251.13777	0.3
259.20554	0.7
275.20102	0.4
277.21698	100.0
278.22076	9.6
445.23599	6.5
445.29126	0.5
446.23972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29922	0.4
59.01247	2.3
66.81464	0.3
69.47264	0.4
70.98910	0.4
70.99264	1.1
71.01243	0.7
78.95771	5.3
94.98882	0.4
98.13314	0.3
100.14308	0.4
100.52197	0.3
110.98415	4.7
125.15490	0.3
167.01143	1.8
185.02106	3.9
233.22743	0.5
253.58913	0.4
259.20651	0.4
277.21704	100.0
278.22064	8.9
445.23624	4.8
445.29541	1.1
446.23880	1.0
446.29898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.8
61.98683	0.6
66.60661	0.7
69.55467	1.4
69.55880	3.2
71.01241	2.3
73.05645	0.7
73.46658	0.6
75.68768	0.7
78.95775	22.6
89.02328	1.0
89.74902	0.6
98.20540	1.2
101.02313	0.9
104.97321	0.8
105.71661	0.6
110.98415	13.7
113.02293	0.8
119.03337	0.8
138.03093	0.7
147.98924	0.7
149.12880	0.8
153.05443	1.3
167.01051	14.9
168.62970	0.8
185.02130	3.9
277.21719	100.0
278.22107	8.9
357.09940	0.7
385.18750	0.9
417.23114	1.0
418.55960	0.7
445.23660	16.0
445.29425	1.7
446.23938	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97630	0.6
55.03603	0.7
58.00470	0.8
59.01248	100.0
60.01583	0.7
69.54346	4.6
71.01251	19.2
72.99190	0.8
83.01298	0.8
85.02821	3.2
87.00768	1.8
89.02311	34.7
94.66109	0.6
96.95922	0.6
98.19807	1.1
101.02323	10.3
101.10655	0.6
113.02329	9.1
113.03080	0.9
119.03397	14.6
123.07002	0.7
128.80092	0.7
130.64128	0.7
130.93651	0.7
131.03433	1.1
143.03401	3.7
149.04504	2.2
151.03944	1.0
156.71397	0.7
161.04474	4.5
179.05521	18.7
179.06981	1.3
179.94678	0.7
191.15991	0.7
205.12154	0.8
217.88820	0.6
223.13397	0.8
284.09875	0.7
294.26282	0.7
330.58102	0.7
343.39023	0.7
385.18665	1.1
445.21384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83762	1.5
54.44888	1.4
58.00454	1.6
59.01254	55.6
71.01255	25.9
71.37702	2.3
73.02818	3.9
85.02818	7.6
86.17757	1.3
87.00738	3.9
89.02321	20.1
93.96021	1.4
99.00726	2.4
101.02325	12.6
113.02332	11.3
118.30822	1.4
119.03398	6.6
122.03644	1.8
125.02305	4.7
130.25432	1.3
131.03395	5.3
131.04820	1.5
133.82643	1.7
135.02869	2.0
137.09563	1.5
143.03386	1.9
147.08044	1.5
152.03435	25.6
160.08823	1.5
161.04468	12.8
163.11208	24.0
169.01311	6.9
175.11218	11.0
179.05611	2.2
187.11127	4.7
205.12289	100.0
206.12587	8.8
206.14189	1.8
221.06606	18.9
280.62952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03325	1.5
58.00463	1.1
59.01250	100.0
59.12312	0.4
60.01591	1.1
69.15612	1.4
69.16026	5.1
71.00854	1.0
71.01250	18.1
72.01592	0.6
72.99185	1.7
73.02819	1.4
83.01270	1.6
85.02810	3.1
87.00749	1.0
89.02316	28.3
95.01286	0.8
97.06437	0.7
98.19860	1.2
100.03359	0.5
101.02325	22.2
108.02095	0.9
113.02332	7.3
119.03387	16.7
131.03427	0.9
143.03404	2.6
149.04453	0.7
152.03455	2.3
158.90475	0.6
161.04448	7.0
163.11186	1.2
165.09274	1.1
175.73819	0.5
179.05544	12.2
179.10689	3.1
205.12279	4.6
220.86887	0.6
223.13359	12.4
223.15631	0.6
224.13699	1.2
229.12448	1.0
235.13429	2.2
237.14757	2.5
247.13431	2.7
265.14453	6.9
266.14746	0.7
307.15604	1.0
445.04303	0.7
445.21176	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
57.03310	2.0
59.01248	100.0
61.98685	2.9
63.75417	1.5
66.51700	1.5
67.59416	1.3
69.22643	4.7
69.23054	11.1
71.01255	31.5
72.99175	3.6
73.02805	7.6
74.98958	1.8
75.00749	4.3
80.44224	1.8
83.01257	2.9
83.04889	1.9
85.02828	10.1
87.00749	5.0
89.02317	17.6
93.03293	1.9
95.01265	1.9
98.19766	2.7
99.00784	1.7
101.02311	17.2
108.02056	3.1
113.02321	12.1
119.03369	7.5
120.99512	3.6
121.02811	3.1
125.02345	7.5
129.01845	1.6
133.02960	1.6
135.02913	3.0
135.04326	3.3
136.99048	2.1
137.09593	1.8
139.07541	4.6
151.00266	2.1
151.07599	2.8
153.09100	1.7
154.22537	1.6
159.04405	2.7
161.04446	6.5
163.11169	6.5
167.07030	3.3
169.01328	9.6
173.04276	1.8
181.12244	17.3
183.10213	5.7
187.11191	4.3
189.12724	2.3
190.09824	2.4
197.11835	2.5
205.12247	6.5
209.11835	2.1
214.02686	1.5
223.13332	2.7
225.11217	5.7
237.05168	1.5
246.19318	1.5
247.13210	2.1
255.03041	2.4
265.14453	1.9
270.01630	2.2
271.02368	4.8
279.10770	3.8
283.12238	1.7
283.15414	6.1
297.97537	5.1
299.01941	6.8
300.02689	4.8
300.99741	1.7
301.03458	4.2
312.99844	5.8
341.02905	1.9
385.18588	6.4
445.07513	2.4
445.20523	12.1
446.04855	3.5
463.08469	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
55.01750	1.5
57.03320	2.0
58.00466	2.7
59.01250	69.1
61.98706	0.7
69.03326	1.6
71.01253	63.6
71.51805	0.9
72.01603	0.7
72.99189	4.2
73.02816	17.1
73.22021	0.5
75.00748	2.9
80.01081	0.5
81.03378	0.6
83.01266	3.5
85.02821	12.9
85.04570	0.5
87.00751	2.7
87.04371	0.9
89.02316	100.0
90.02651	1.6
95.01252	2.9
97.02820	1.2
99.00757	31.2
99.04421	0.7
100.01087	0.7
101.02323	40.2
102.02673	0.7
105.64445	0.6
109.02823	0.7
113.02330	17.2
115.03884	0.8
117.05478	0.9
119.03381	9.5
121.02850	3.5
121.10106	1.1
125.02335	5.7
131.03395	19.5
132.03708	0.6
135.02879	0.9
135.04427	1.8
135.06514	2.4
143.03386	1.7
149.04457	55.4
150.04787	1.3
151.00221	0.6
151.11186	1.6
159.02858	0.9
161.04449	6.5
161.47241	0.6
163.07474	0.8
163.11183	0.6
164.07877	0.6
165.09122	19.5
166.09436	0.8
172.01418	0.5
177.09111	0.8
179.05484	1.9
179.10713	2.4
183.10110	0.6
191.05544	15.9
207.10257	2.0
209.11920	0.8
211.04025	0.9
221.06491	1.3
221.15434	1.1
227.07051	1.1
233.06598	1.3
239.03656	1.2
239.16353	0.9
244.00085	0.9
251.07658	2.7
265.14398	0.9
267.02972	1.6
268.03555	1.4
271.02200	0.6
279.10840	1.2
282.05164	0.7
283.06052	1.9
283.09839	0.8
283.15527	2.0
289.89359	0.6
293.08731	1.5
297.08649	1.0
297.11801	5.3
299.99124	1.4
313.16434	0.7
314.53433	0.6
358.63693	0.6
401.08722	1.0
445.07803	1.4
445.16858	2.5
445.21957	3.1
446.11389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06477	0.8
53.13869	0.7
59.01250	9.2
71.01252	4.4
71.50296	1.0
72.99170	0.8
81.51804	0.7
83.01243	0.8
85.02814	1.9
89.02333	3.9
93.03338	1.3
101.02335	4.1
109.02860	1.1
111.00835	1.1
113.02308	1.7
117.03333	1.1
119.03387	1.6
119.04919	2.4
121.04945	1.9
125.02367	1.2
132.02048	1.7
133.02855	27.6
134.03282	1.0
135.02866	2.6
135.04420	10.3
136.04726	0.9
145.47832	0.9
161.02356	100.0
162.02724	5.5
169.01295	1.4
177.01868	1.3
179.03395	6.7
237.09357	0.8
300.99734	1.1
327.08603	4.1
445.13504	62.1
446.13873	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.9
59.01248	100.0
60.01586	1.0
61.98716	0.5
69.41254	2.1
71.01253	19.1
72.01572	0.6
72.99173	1.8
73.02828	0.6
75.00740	1.0
83.01268	0.5
83.04895	2.2
83.26676	0.3
85.02818	2.7
87.00748	1.7
89.02314	30.0
90.02649	0.3
93.03344	1.0
95.01263	1.1
96.95909	0.6
101.02319	9.9
101.67323	0.3
102.58974	0.3
109.02899	0.5
113.02328	8.1
114.02695	0.3
119.03387	12.9
119.04808	2.3
119.81632	0.3
121.06455	0.4
122.27917	0.3
123.04456	0.4
124.01565	0.4
125.02334	1.0
131.03398	1.6
135.02896	2.5
135.04440	0.7
139.00273	0.4
143.03394	3.3
143.05020	0.7
147.04321	0.3
149.02383	0.4
149.04465	1.4
161.02350	0.7
161.04456	4.8
163.03963	0.9
168.00479	0.4
169.01347	0.8
173.04491	0.4
179.03842	0.7
179.05525	18.7
180.05893	0.5
183.02879	1.0
194.05817	0.7
205.12280	0.7
209.08168	0.8
237.09207	0.7
239.10831	0.4
265.08771	0.8
283.09741	0.4
299.98993	0.4
301.00085	1.0
315.01166	0.4
327.08624	5.8
327.11868	0.4
328.09283	0.7
445.04050	0.9
445.13684	1.5
445.20822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01207	2.4
61.30861	0.5
66.04456	0.5
67.22877	0.5
69.30293	4.9
71.01221	0.6
117.03285	1.0
131.04921	2.9
138.69579	0.5
144.77957	0.6
145.02814	1.0
161.02357	19.1
162.02692	1.2
173.02348	8.4
174.03145	20.2
175.03909	15.9
176.04224	0.7
183.04453	0.6
195.20493	0.6
200.03157	0.7
200.04752	7.4
201.05246	0.9
209.11737	1.1
211.03951	23.0
212.04201	1.5
215.07085	9.8
216.07309	0.8
224.04793	3.8
229.05029	5.6
230.07275	0.5
237.05498	1.2
246.06914	1.2
251.07106	11.3
252.07568	1.3
253.08659	12.4
254.09193	0.9
257.06067	0.8
273.05493	2.3
274.06284	3.6
285.05447	1.8
286.06409	1.9
301.05042	5.3
302.05817	8.2
302.93204	0.5
303.06320	3.0
307.05176	0.9
313.05103	1.7
318.04895	0.8
319.05688	0.9
329.04556	15.5
330.05316	100.0
331.05786	13.8
332.06424	0.7
346.04761	2.5
347.05560	19.7
348.06357	99.3
348.97208	0.6
349.06747	9.0
354.05429	1.6
355.05835	1.2
427.11795	12.1
428.12283	1.4
445.12656	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
65.86681	0.4
68.61855	0.4
69.45844	2.6
97.06448	1.1
141.93333	0.4
145.02844	2.1
161.02345	2.8
173.02361	51.1
174.03137	100.0
175.03477	4.6
189.01883	1.3
200.04727	0.9
201.05534	0.4
211.04056	0.5
215.07050	1.2
227.14845	0.4
229.05084	0.9
239.07101	0.7
271.09714	2.8
285.05615	0.6
302.05679	0.6
303.06482	0.6
311.07257	0.6
326.05835	0.6
329.04596	2.3
330.05313	7.4
331.05972	1.0
346.04672	2.4
347.05377	3.2
348.06287	8.3
349.06409	1.0
350.12009	0.4
354.05374	1.8
355.05948	2.8
356.06787	0.9
368.06958	0.6
369.07346	0.5
372.05960	1.6
373.06558	0.5
381.11395	0.5
383.09204	3.2
384.09610	1.6
398.07550	0.5
401.10153	2.3
402.10367	0.6
409.10300	0.7
412.08307	0.4
427.11313	3.0
445.12881	28.8
446.13254	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	10.7
69.37442	12.9
71.01243	8.2
73.02807	2.2
75.00743	72.7
79.73458	1.5
86.83012	1.3
87.00774	2.4
89.02319	11.2
101.02306	4.3
103.00246	100.0
103.03862	3.4
104.03413	7.0
111.00770	2.0
113.02339	2.9
119.03338	2.4
119.04882	2.2
121.87395	1.6
123.00759	1.8
124.73486	1.6
125.02351	3.5
131.03410	2.0
133.02821	4.1
135.02866	3.5
135.04381	2.7
161.02351	11.1
169.01320	3.6
179.05493	4.6
213.13618	1.6
273.74673	1.2
300.99814	1.8
327.08679	4.6
341.10959	13.3
361.22733	1.8
391.02756	2.9
445.08768	2.4
445.13657	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	445.1292
Annotation	Longicaudatin
Peak:m/z	Relative Intensity
56.41219	0.7
59.01249	6.2
70.76851	0.7
71.01250	1.4
71.50549	0.8
73.43134	0.6
83.04924	0.9
85.39307	0.7
89.02332	1.4
89.77715	0.7
101.02324	0.8
116.43436	0.7
116.44352	0.8
119.03351	0.8
121.02847	0.7
145.01138	0.6
145.02826	1.4
161.02359	7.7
173.02379	2.5
174.03156	5.9
175.03900	2.4
183.04366	1.2
187.03960	1.7
200.04747	7.6
201.05486	1.6
204.70490	0.6
209.11766	13.2
210.12083	0.9
211.03928	1.3
215.07135	3.3
228.04317	1.1
228.07777	0.7
229.05023	5.5
234.17049	0.7
239.07080	0.8
253.09094	2.3
253.17725	0.7
273.05463	1.0
285.05603	1.3
301.05157	2.2
302.05939	0.9
303.06528	2.7
304.07126	0.8
311.07123	3.0
324.07904	0.7
326.05618	0.8
327.06573	1.0
329.04504	12.8
330.05273	13.2
331.05792	1.9
332.19492	0.7
337.05121	1.1
339.10226	1.5
340.07303	1.0
341.04544	1.5
342.05347	1.1
343.06250	3.8
346.04660	2.2
347.05573	9.2
348.06265	12.3
349.06470	0.9
351.06476	1.0
352.07339	1.0
354.05258	9.9
355.06030	16.5
356.06595	3.2
362.64063	0.7
365.08054	1.9
366.08862	1.1
367.09613	1.5
368.07150	0.8
369.07587	2.1
370.04459	1.0
370.08673	1.0
372.06390	1.0
380.06906	1.5
381.11493	1.6
383.09091	6.7
384.10184	5.6
385.10281	0.9
387.44644	0.7
391.10138	1.4
399.12427	1.9
401.10080	1.5
409.10791	2.6
427.11783	12.1
428.12524	1.8
445.12897	100.0
445.29468	3.1
446.13162	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	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34866	0.3
59.01250	5.6
70.65806	0.9
71.01244	2.9
72.99184	0.5
75.00742	72.9
76.01072	0.6
81.18825	0.3
82.46349	0.3
85.02808	0.6
87.00726	0.5
89.02305	4.1
89.14719	0.3
95.01226	0.3
99.00742	0.4
101.02323	1.4
103.00245	100.0
104.00581	1.5
104.03389	0.3
105.01802	0.9
113.02319	1.0
119.03370	1.7
143.03363	0.5
151.81320	0.3
161.04497	0.9
179.05537	3.9
259.38974	0.3
283.88626	0.3
341.10852	10.5
342.11069	0.7
348.55539	0.3
440.13812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	10.5
60.99169	2.2
61.98685	1.1
71.01242	2.3
71.51737	0.9
73.02802	0.8
76.78136	0.6
88.64200	0.6
89.02310	1.8
89.04876	0.6
93.03326	1.6
101.02306	1.6
119.04917	0.8
121.02839	100.0
122.03147	3.3
125.02370	1.3
135.04420	1.4
164.01051	1.4
165.01852	1.7
174.03145	1.2
180.05728	3.2
181.06505	43.3
182.06876	2.6
197.06062	0.9
199.07562	5.0
209.11792	2.3
223.03987	0.7
225.05515	36.1
226.05881	2.0
245.45087	0.6
268.44296	0.6
305.70212	0.6
353.24713	0.7
357.09772	46.3
358.10220	4.5
401.08716	20.6
402.09308	2.1
432.69330	0.6
445.11523	56.1
446.12051	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	445.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46252	0.8
59.01249	22.9
60.59346	0.8
61.98697	3.0
71.01260	11.1
71.50627	1.0
72.99183	2.0
73.02803	1.6
75.00740	16.1
80.72523	0.7
83.01289	1.3
85.02823	2.8
85.06442	2.5
87.00732	2.2
89.02321	11.9
93.03333	25.9
94.03625	0.9
95.01234	1.2
96.95898	1.0
96.99182	3.3
99.00764	1.4
101.02317	6.4
109.02844	1.4
111.00751	1.0
113.02351	3.8
113.05951	0.7
117.01820	1.3
117.03326	2.1
119.03392	3.3
119.04906	18.9
120.05199	0.8
121.02835	2.0
123.00748	1.6
123.04394	3.2
125.02320	5.3
130.04131	1.0
131.04948	5.4
131.07013	8.8
133.02884	4.4
135.02890	48.8
135.04424	1.7
137.02316	1.0
140.01048	1.1
143.04922	23.2
144.94109	0.9
145.02820	3.8
145.06471	1.4
147.04356	1.2
152.03488	1.9
153.05484	1.7
157.06410	0.8
159.04440	1.3
161.04532	1.4
163.03909	14.5
164.04259	0.8
165.05458	1.0
165.09120	1.5
168.00523	1.0
169.01363	4.8
171.04439	3.8
175.03944	1.0
177.05428	1.4
177.09273	0.8
179.05527	1.3
203.03377	1.3
203.10695	1.0
205.01270	0.9
205.12184	0.9
211.02486	1.7
211.07587	6.7
219.08086	1.3
221.09608	1.2
222.06831	0.9
223.07610	1.3
235.07629	4.8
237.09151	10.0
238.09639	0.8
239.10632	1.0
263.06888	0.8
265.08621	30.4
265.10767	2.4
266.09061	2.5
269.08261	0.8
271.04770	1.2
273.00250	1.0
283.09744	1.9
285.00040	1.1
293.12448	9.0
299.99097	2.0
300.99768	1.1
309.07721	10.5
310.07977	1.9
312.99823	2.4
314.00482	2.3
327.08716	100.0
328.09091	9.4
332.07565	0.8
355.01083	1.4
385.18475	1.0
430.83353	0.9
445.04172	9.6
445.13028	14.0
445.20709	3.2
446.04654	1.1
446.12885	0.8
459.85043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1137
Annotation	Cytisoside
Peak:m/z	Relative Intensity
55.01740	0.7
57.03315	0.9
58.00439	0.7
59.01250	27.0
61.98692	1.4
63.29636	0.6
66.91473	0.6
68.99652	0.7
69.34051	5.8
71.01254	9.5
72.99179	1.0
73.02802	3.3
74.98955	1.1
75.00777	0.9
83.01258	1.4
85.02807	3.2
87.00742	1.6
89.02313	2.7
93.03339	12.7
95.01231	0.8
96.95892	1.2
99.00751	1.3
99.04428	0.8
101.02316	5.3
108.02051	0.9
109.02878	1.1
111.00735	0.8
113.02318	3.1
119.04915	100.0
120.05254	2.8
120.99612	0.8
121.02859	0.8
123.04396	0.8
124.01544	1.5
125.02328	1.9
131.03387	1.8
133.02884	0.7
135.02917	1.2
135.04422	1.9
136.01576	1.7
136.99037	0.9
137.02341	22.9
138.02676	0.9
139.00099	0.7
145.02818	1.0
151.00316	0.8
151.03941	1.3
151.07581	0.6
152.01070	1.2
153.09132	1.3
161.02405	0.8
161.04504	1.8
163.03915	45.4
164.01065	2.6
164.04366	0.7
169.01292	0.9
175.30818	0.6
176.19174	0.7
177.01851	1.1
179.03444	1.5
180.00516	2.2
198.03203	0.7
198.06885	1.2
205.12215	0.8
221.15329	1.0
226.02596	0.9
226.06108	0.8
227.03215	0.9
243.03262	0.6
253.04956	1.3
254.06067	0.9
255.02956	1.4
269.04541	6.5
271.02457	1.1
281.06723	31.4
282.01813	2.1
282.05173	21.2
283.02682	1.4
283.05829	2.6
283.15604	2.6
292.03741	0.9
297.04007	2.3
299.01971	1.4
300.02649	0.8
301.03555	0.8
310.04825	6.1
313.03775	0.8
313.16623	2.8
314.04282	6.8
325.03366	1.5
325.07141	19.1
326.07532	1.0
341.06506	0.7
355.08267	1.1
365.07990	1.3
388.84128	0.7
433.45807	0.8
445.11469	46.8
445.20941	1.9
446.11816	6.1
450.62689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44231	0.5
59.01252	10.5
60.99162	2.2
61.98700	0.9
71.01255	1.9
71.51785	0.7
72.99197	0.7
73.02820	1.4
73.25577	0.7
85.02814	0.9
89.02325	1.4
93.03331	1.1
101.02308	2.0
111.89954	0.6
113.02320	0.6
119.04889	0.6
119.60540	0.5
121.02843	100.0
122.03165	4.2
125.02377	1.1
135.04468	0.6
137.02303	1.3
145.02896	0.7
145.46309	0.5
151.62347	0.6
153.09131	0.7
161.02284	1.2
161.04449	0.9
164.01079	1.6
165.01868	3.2
173.02377	1.0
174.03160	0.8
175.03758	0.7
180.05724	2.5
181.06506	41.2
182.06877	3.5
189.01903	1.0
197.06128	0.8
199.07541	4.8
209.11816	1.8
214.02596	0.7
225.05533	30.6
226.05904	2.0
246.98900	0.6
269.00919	1.1
271.02481	0.9
300.99710	0.8
350.02478	0.6
357.09787	44.4
358.10098	5.1
401.08765	20.5
402.09329	2.3
432.47134	0.7
445.11526	49.8
446.12112	4.9
469.94995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.0
66.35142	0.3
69.26513	0.5
69.26927	2.7
70.77456	0.3
71.01256	1.9
72.99174	0.4
73.00313	0.3
73.02821	0.6
81.03303	0.3
85.02817	0.4
89.02320	1.3
99.00744	0.6
101.02340	0.9
108.00065	0.3
109.02796	0.5
109.87167	0.3
113.02312	0.8
115.00193	0.5
119.03372	0.5
120.99532	6.9
121.02843	1.0
131.01265	0.5
143.01273	0.4
147.00786	0.5
159.00763	0.9
161.02341	0.5
161.04480	0.7
165.01808	0.4
171.00792	1.1
174.03171	0.8
187.00267	3.6
199.00290	0.9
209.11751	10.2
214.99785	6.0
240.00264	0.4
242.99309	23.0
243.99609	1.6
253.09134	1.6
256.00125	0.5
270.98819	91.9
271.99170	7.1
275.01831	0.3
283.99670	2.8
285.00092	0.4
297.00372	0.8
298.98318	52.4
299.98660	4.8
311.99048	0.5
323.99072	8.8
324.99570	1.1
327.01501	0.8
355.00717	1.7
414.92258	0.4
445.04092	100.0
446.04355	11.6
452.50696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11528	0.4
59.01248	4.2
61.98693	0.8
70.89780	1.0
71.01252	1.1
83.01225	0.4
83.04871	0.5
85.02814	0.5
89.02307	0.8
95.53700	0.4
99.00786	0.7
101.02323	0.8
111.57859	0.3
113.39755	0.4
121.02805	0.9
125.02261	0.4
158.03749	0.4
161.04456	0.5
173.02362	0.6
174.03241	0.6
189.01883	0.6
195.04575	0.5
196.05206	1.8
197.02414	0.4
197.09683	1.3
209.11743	2.7
213.09108	0.9
216.00592	0.6
223.04021	0.4
224.04762	0.8
225.09163	4.0
227.03584	0.6
229.01395	0.7
231.23216	0.4
239.03351	0.5
240.04233	20.2
241.01184	0.5
241.04681	1.5
241.08585	0.8
242.02063	0.7
242.99231	0.5
244.00043	0.7
253.01462	0.6
253.08742	3.2
254.02196	1.0
259.99579	2.5
267.03262	0.7
267.06543	0.7
268.03726	1.1
269.00891	8.4
269.08167	45.8
270.01492	2.4
270.08459	4.5
270.98801	2.0
271.01846	0.4
271.09940	0.6
272.03336	2.7
272.29041	0.4
281.00900	1.0
283.99716	1.9
284.02603	0.4
285.00336	0.4
295.05988	0.5
297.00455	1.1
297.07635	11.2
298.01141	4.8
298.07898	0.9
298.98306	1.1
299.01648	0.4
303.98782	0.6
308.03021	0.6
311.05588	3.2
313.07172	4.5
314.07492	0.6
323.05362	0.7
330.00146	0.6
339.05212	0.5
341.02774	0.7
341.06668	7.8
445.07755	100.0
446.08069	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	445.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	81.3
60.52904	2.4
62.42582	2.7
65.00189	13.3
69.50777	19.9
71.01252	26.0
73.02831	4.5
74.88794	2.5
75.00746	4.8
79.95603	100.0
83.01276	4.5
85.02824	6.2
87.00779	5.6
89.00198	3.0
89.02315	33.0
91.01754	7.0
93.03337	8.7
95.01259	8.3
95.95132	3.4
96.95888	90.2
97.02843	11.3
99.00763	7.5
101.02314	14.7
107.01270	4.8
108.02048	7.9
109.02840	33.1
111.00755	3.6
113.02320	11.2
119.03397	9.1
119.04918	3.7
121.02865	10.8
123.00771	10.0
124.01577	9.1
125.02374	16.8
133.02858	5.9
135.00797	7.1
135.02893	11.6
137.02353	17.7
139.00273	9.7
139.03886	19.2
141.01822	4.6
143.03461	3.5
143.04895	3.8
145.02805	3.1
149.02341	9.1
151.00279	15.8
151.03923	44.9
152.01025	10.2
153.01881	17.6
155.03423	2.9
159.04387	6.4
161.02257	5.7
161.04459	8.3
163.00293	26.8
163.03935	5.8
164.01042	20.6
165.01833	57.3
165.99045	5.4
167.03336	3.2
168.00586	3.4
169.01358	2.9
171.04504	5.9
174.03146	3.2
175.00276	7.9
175.03917	3.5
176.01036	2.5
178.99771	7.8
179.05511	8.1
181.01405	7.5
183.02849	5.0
187.03934	8.7
189.01955	6.7
190.02632	3.0
190.99747	3.5
191.05417	2.9
192.00635	2.6
193.01347	34.8
198.03204	6.4
199.03902	6.3
201.05444	2.6
202.02504	5.5
203.03470	5.5
205.01501	3.3
207.02866	5.1
209.00873	4.4
211.07677	2.6
214.02621	5.2
215.03369	9.2
216.04137	3.7
217.01399	4.0
217.04987	6.5
219.02991	2.6
226.59909	3.0
227.03381	3.7
229.01472	3.8
230.02240	4.4
231.02956	5.2
241.01463	2.9
242.02129	8.9
243.02950	11.4
244.03589	4.9
245.04494	5.8
247.02560	2.8
258.01752	3.2
259.02377	9.7
259.05957	2.8
260.03305	3.7
260.06711	3.2
261.04102	3.6
270.01706	3.7
271.02448	37.8
272.02771	4.3
273.04095	6.0
275.05646	7.9
285.03992	13.8
287.01978	9.2
288.02753	3.6
289.03461	3.4
291.04950	3.1
299.01889	7.6
301.00174	2.9
301.03558	6.5
303.05121	3.0
312.91257	2.7
314.04297	26.0
315.01300	7.1
315.05002	8.9
316.02100	13.9
317.02957	9.2
327.08755	10.8
329.02933	10.7
330.03781	11.3
331.04547	19.4
333.02444	10.5
346.03192	3.5
347.04068	11.7
348.04703	3.2
365.05124	5.8
385.18893	4.1
410.99390	3.1
445.04111	5.8
445.13278	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01758	2.8
57.03315	1.2
58.00475	1.3
59.01250	36.4
61.94476	0.6
65.46465	0.5
71.01251	26.8
71.21066	1.1
72.01579	0.7
72.99170	2.4
73.02814	4.5
75.00720	1.0
79.49594	0.4
83.01261	4.0
83.04900	0.6
85.02820	9.5
85.13117	0.5
85.57006	0.5
87.00742	1.4
89.02317	16.7
95.01256	2.0
99.00758	1.6
101.02319	19.3
111.04403	1.1
113.02322	9.7
119.03384	8.4
130.64168	0.6
135.04408	0.5
143.03381	0.7
155.94077	0.5
157.28494	0.4
161.04469	1.5
168.99944	0.5
171.11644	0.7
189.12811	1.8
201.12805	0.7
219.13863	0.7
237.14917	1.4
375.32126	0.5
443.19183	100.0
444.19519	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	445.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.9
59.01248	25.4
65.00179	11.7
69.03320	2.6
69.52753	16.2
71.01252	32.1
73.02814	13.2
75.00739	3.4
77.73131	2.5
79.95605	39.7
81.03313	3.4
83.01263	6.1
85.02805	11.4
87.00742	3.3
89.00138	2.4
89.02296	13.0
95.01270	3.6
95.95086	5.0
96.95887	100.0
97.02819	9.0
97.47090	2.0
98.19830	5.1
99.00748	6.8
101.02337	14.8
107.01254	3.6
108.02013	2.7
109.02834	14.5
111.00745	6.8
112.95355	3.2
113.02317	12.0
121.02813	6.6
123.00751	7.0
124.01503	5.6
125.02316	17.0
131.03351	3.3
135.00769	6.6
137.02350	19.2
139.00279	5.5
139.03943	5.2
140.13536	2.2
148.01517	2.3
149.04477	2.5
149.99530	4.1
151.00276	10.6
153.01851	21.2
161.02333	6.6
161.04448	11.8
163.00240	6.5
163.03818	2.4
164.01016	14.9
165.01851	61.0
166.02330	4.2
167.03377	5.2
175.00310	5.3
175.03827	2.4
175.98331	2.7
178.99756	9.5
181.01314	4.3
186.03055	2.8
192.00529	4.8
193.01334	19.8
198.03087	3.9
201.01768	2.5
207.02869	7.3
208.00056	3.9
213.21840	2.4
214.02550	4.7
217.05016	5.5
223.02385	3.9
226.02740	3.3
229.04863	3.1
230.02107	3.7
231.02925	4.6
242.02115	9.1
243.02730	4.5
244.03664	4.9
245.00720	2.9
245.04477	17.6
250.76469	2.3
257.04468	6.1
258.01694	5.6
260.06689	3.5
261.03949	4.9
269.04419	5.8
270.01715	5.9
271.02420	18.3
273.03979	6.3
275.05508	4.0
283.15533	4.7
285.04099	7.7
286.01178	9.3
287.01990	3.1
289.03403	2.9
293.08643	3.8
295.02533	7.6
299.01993	20.7
300.02518	3.3
301.03482	17.4
302.03876	3.2
303.05029	3.9
313.03531	11.1
313.16455	8.4
314.04218	30.6
315.04807	8.7
329.03058	17.8
330.03818	18.4
331.04553	26.9
341.02902	4.9
347.04105	4.9
355.04453	5.1
357.09741	3.0
445.02039	4.4
445.07736	28.2
445.20801	42.1
446.08066	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	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19990	0.6
55.01757	1.0
57.03316	1.0
58.88464	0.5
59.01257	6.3
61.34536	0.5
65.00183	0.6
69.38923	4.7
69.54630	0.6
71.01246	9.2
73.02814	3.2
75.00740	1.0
81.00357	0.6
83.01282	1.9
85.02809	4.7
87.00750	0.9
89.02325	0.8
91.01763	2.2
93.03351	3.2
95.01263	0.8
99.00756	1.4
101.02316	6.2
105.03249	0.6
107.04889	0.6
113.02344	2.9
119.01272	6.1
121.02854	3.2
125.02340	0.6
131.04936	1.0
133.04909	0.7
134.03624	2.4
135.04430	3.4
139.28654	0.5
145.02864	1.4
147.00789	7.7
147.04407	13.3
148.01480	0.6
148.04800	1.0
149.02336	11.7
151.05923	0.8
152.01028	1.5
161.02332	0.8
161.04485	1.7
161.05977	3.4
162.03188	0.8
163.03917	3.1
164.04680	7.7
165.01828	2.1
165.05038	0.7
169.04939	1.3
175.00278	37.7
175.06039	0.7
176.00645	1.7
177.01910	0.9
179.07007	1.3
189.01810	0.9
189.05550	1.2
190.02637	85.6
190.91006	0.6
191.03012	4.5
193.01369	0.7
193.04890	0.7
194.75459	0.5
205.04994	96.3
206.05328	5.7
207.02971	0.7
208.03697	1.3
209.04503	2.1
221.02490	0.6
223.06068	19.3
224.06393	0.9
237.09766	0.9
251.05649	0.8
256.44382	0.6
295.10379	0.6
315.56870	0.5
325.06989	1.2
352.60620	0.5
413.10840	1.5
428.13095	3.3
443.15561	100.0
444.15884	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	443.1136
Annotation	Artomunoxanthentrione
Peak:m/z	Relative Intensity
56.01614	1.1
59.01249	3.1
70.99543	2.4
74.48830	1.1
117.03325	3.2
130.80896	1.3
161.02345	62.1
162.02690	3.1
174.03130	3.2
175.03905	4.9
183.04411	7.5
187.03966	3.7
189.01804	2.9
198.03214	1.5
199.03838	2.3
200.04680	5.1
211.03984	4.0
215.03426	1.3
215.06993	7.4
224.04736	3.7
225.05490	3.0
227.03436	19.3
228.03827	2.0
237.05634	2.2
238.06313	5.0
239.07109	6.7
240.04207	2.6
249.05579	1.4
251.07135	4.0
252.07849	3.0
253.08655	3.5
267.06616	4.3
268.07288	2.6
269.08276	6.3
279.10263	1.4
281.08218	14.7
282.08411	1.6
289.05121	2.1
298.06323	4.1
299.06781	2.0
301.05151	4.0
302.05518	1.8
315.06366	1.5
318.05313	3.6
326.05786	4.0
327.06598	5.6
329.04578	2.3
339.06458	3.3
340.07309	1.8
341.04407	3.4
342.05243	3.8
343.05936	2.4
345.03998	29.9
346.04755	56.4
347.05249	5.7
353.04535	10.5
353.08231	1.7
354.05182	5.4
355.05905	2.3
355.09766	3.4
357.04108	4.3
363.06320	2.0
364.07175	2.5
365.08130	3.4
366.09091	1.6
367.06097	11.9
368.06815	6.1
369.07611	2.6
370.04810	55.8
371.05490	42.1
372.06061	8.3
378.05212	3.5
379.05679	2.7
379.09952	3.1
381.07312	8.5
381.11514	4.5
382.04004	2.0
382.08414	15.7
383.05243	2.8
383.09421	2.8
385.06949	3.6
386.07971	4.3
387.08569	2.6
389.08130	1.7
392.06961	3.8
395.05511	4.2
396.06110	8.3
397.06381	2.0
397.10803	10.6
398.07437	8.3
399.08566	22.6
399.13000	2.2
400.09604	19.7
401.09848	2.6
407.09161	8.5
408.09439	1.7
410.07977	3.1
414.07492	3.8
415.12021	2.1
425.01761	1.9
425.10312	77.9
426.10706	14.8
443.11331	100.0
443.31583	5.7
443.36176	3.0
444.11768	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	443.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.3
71.51324	1.5
74.14560	1.0
75.15026	1.3
76.49583	1.3
85.36253	1.3
117.03323	1.5
131.04832	1.1
135.04402	4.3
136.69328	1.2
161.01079	2.3
161.02361	23.6
162.02681	1.3
174.03098	2.1
175.03929	6.7
187.03976	2.1
189.01878	3.0
195.04430	1.3
200.04736	1.2
211.03801	2.4
213.05539	1.3
225.05602	1.7
237.05647	2.3
238.06325	5.6
239.07104	4.3
241.05032	4.3
241.22133	1.1
245.06143	2.6
251.07086	3.4
252.07922	4.8
253.08716	3.0
261.05569	2.6
267.06662	4.1
273.05548	1.5
274.06342	1.4
279.06644	3.4
281.08176	16.1
289.05164	2.4
292.03769	2.3
299.07239	1.9
300.04434	1.5
301.05017	2.7
307.06125	6.5
309.05725	1.6
317.04611	3.5
318.05154	3.4
325.05157	2.2
326.05643	4.2
327.06644	9.7
329.04495	3.2
330.05286	3.4
339.06805	2.9
340.07321	3.6
341.04504	1.9
343.06079	2.2
345.04037	46.6
346.04791	100.0
347.05154	9.8
348.06430	1.5
353.04568	11.6
353.08344	2.4
354.05002	4.2
354.08908	2.4
355.05988	1.3
355.09790	6.0
356.10315	1.4
357.04132	2.2
364.07751	2.1
366.04987	2.5
367.06122	13.7
368.06635	5.9
369.07742	3.1
370.04691	20.0
371.05533	27.9
371.10089	1.8
372.06238	2.1
379.05753	2.0
379.10031	2.7
381.07544	10.2
382.08334	15.4
383.08902	4.0
385.06973	2.5
386.07742	3.0
387.08826	3.4
392.06931	4.6
396.06189	3.7
397.10800	10.7
398.11118	1.5
399.08624	15.5
400.09500	31.2
401.09766	3.4
407.09195	9.0
408.09860	1.4
414.07327	1.7
415.11743	1.6
425.10254	32.5
426.10709	4.7
443.11328	52.8
443.31485	5.5
444.11868	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	443.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23065	6.0
75.25126	0.9
75.90887	0.9
79.32899	0.8
108.17765	0.8
114.25806	0.7
145.02835	1.3
157.56953	0.8
161.02336	12.5
163.03848	0.9
173.02364	1.6
174.03120	1.4
175.03822	1.4
183.47830	1.0
187.00264	10.0
187.03870	3.4
188.00798	0.9
189.01852	45.8
190.02142	2.1
200.04803	1.2
201.05368	1.2
208.05222	1.7
215.03474	1.9
215.07001	2.1
223.07578	5.5
224.04739	3.9
225.05406	1.5
225.09320	2.0
236.04684	1.9
237.05487	1.3
238.06279	4.1
239.07094	9.6
240.04234	2.0
241.05119	0.8
251.07085	6.5
252.07968	5.0
253.08636	6.8
261.05402	0.8
267.06537	2.8
269.08179	9.3
270.08533	0.9
281.08127	5.5
284.06198	0.9
289.05035	1.3
290.05676	1.2
299.06934	1.0
301.04950	2.1
302.05881	0.9
311.06943	1.3
315.05991	1.0
317.04510	2.0
318.05246	2.7
326.05838	2.0
327.06516	3.1
329.04477	1.2
330.05106	1.2
339.06592	3.1
340.07050	2.0
341.04224	1.0
342.05225	1.0
343.06268	1.7
345.04016	30.6
346.04761	58.0
347.05026	7.1
353.04364	2.1
353.08279	1.2
354.05173	3.2
355.05780	1.8
355.09586	1.9
357.03986	1.9
358.04984	1.1
363.06549	1.7
364.07428	1.7
366.05191	1.4
367.06070	19.3
368.06625	6.1
369.07486	2.9
370.04672	6.8
371.05453	13.8
372.06412	4.3
378.09100	1.2
379.09753	1.7
381.07568	9.0
382.08423	27.7
383.08984	4.7
385.07138	6.4
386.07803	5.8
387.08896	5.0
395.05582	1.0
396.06287	2.5
397.06110	1.1
397.10788	3.2
399.08643	18.4
400.09433	19.9
401.09958	1.3
407.09198	4.6
408.10071	1.1
410.07895	5.2
414.07416	3.8
425.10239	13.9
426.10831	1.5
428.08929	1.1
443.11298	100.0
444.11655	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	443.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41623	0.5
69.67076	0.7
69.99884	0.6
71.28443	1.2
72.80184	0.6
97.06427	0.8
161.02348	6.2
163.03894	0.7
175.03886	0.8
185.02367	1.0
187.00380	0.7
187.03911	1.1
189.01843	2.9
198.03238	1.0
215.03418	1.4
215.07086	1.1
233.06012	1.7
241.08675	0.8
245.06024	0.8
246.06847	1.5
248.04837	1.2
249.05629	1.0
257.05994	0.7
261.05630	5.3
262.06223	1.5
272.04892	0.9
273.05557	2.5
274.06302	4.7
276.04318	3.5
277.05020	2.7
281.08148	0.7
289.05023	4.5
290.05838	5.7
291.06299	1.1
292.03650	2.8
300.04239	3.7
301.05084	11.7
302.05756	4.9
304.03699	1.8
305.04535	84.1
306.04874	9.2
314.05814	0.9
316.03830	0.8
317.04520	10.2
318.05261	18.7
319.02264	0.8
319.05719	1.9
320.03302	8.0
321.03702	1.3
327.06534	2.2
328.03857	2.9
329.04605	9.1
330.05084	1.6
332.03241	5.5
333.04001	3.9
334.04742	1.3
340.07346	0.8
341.08374	1.8
342.05298	1.2
343.06030	1.0
344.99698	0.9
345.03986	22.7
346.04773	78.5
347.05182	9.7
355.09741	1.3
367.06000	1.9
368.06912	0.9
369.07584	0.9
371.05496	1.4
381.07327	0.9
382.08313	1.0
395.05511	0.8
396.06262	1.9
397.11115	0.8
399.07904	0.7
399.12500	1.8
415.11945	0.7
425.10248	3.4
426.11307	0.8
443.11316	100.0
444.05542	1.1
444.11743	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	442.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81195	0.2
50.87827	0.2
57.03320	0.3
58.97781	0.2
59.01242	2.1
69.36684	0.2
71.01246	1.5
71.51511	0.4
73.02826	0.5
83.01266	0.3
85.02821	0.6
85.87912	0.2
87.00742	0.5
89.02314	1.8
93.03305	0.5
95.04895	0.3
97.06481	0.2
99.04444	0.2
101.02305	1.0
109.02830	0.8
111.00762	0.4
111.66427	0.2
113.01294	0.2
113.02314	0.7
119.03378	0.4
119.04917	0.4
119.51202	0.2
122.02361	3.2
123.54678	0.2
125.02340	0.2
130.04086	0.4
131.04906	4.4
132.05251	0.3
133.02843	0.3
135.04408	0.4
136.03935	0.8
137.02345	0.3
138.06795	0.4
145.02797	0.5
147.04413	1.2
153.09125	0.7
157.02896	0.4
158.03587	0.5
161.02361	0.6
161.04475	0.4
163.03928	0.4
164.60185	0.2
173.02309	0.6
174.03134	11.7
175.03912	100.0
176.02695	0.2
176.04253	5.1
177.01933	0.3
191.05530	0.6
192.05821	0.4
217.04953	0.4
225.14888	0.6
229.04942	0.4
271.06076	0.3
281.13742	0.3
290.05927	0.3
291.06638	0.9
293.04572	1.2
300.99698	0.2
311.14880	0.4
321.29092	0.2
335.05597	0.4
361.12866	2.6
361.63214	0.7
442.17648	0.2
443.19058	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	443.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99427	0.8
56.17902	0.9
59.01213	1.6
61.70638	0.9
67.30042	0.9
70.52169	3.1
75.89117	0.8
89.96582	0.9
93.31327	0.9
161.02348	23.1
162.02596	1.7
163.03906	1.4
173.02258	1.2
174.03140	3.3
175.03831	2.8
175.58389	0.9
187.00256	1.6
187.03918	5.5
189.01837	8.5
200.04700	2.4
201.05444	1.6
211.03947	3.6
215.03520	4.6
215.07091	4.9
223.07516	1.7
224.04799	5.2
225.05428	2.3
227.03619	1.0
231.43692	1.0
235.07529	1.0
237.05504	2.1
238.06369	6.3
239.03464	1.1
239.07065	15.8
240.04384	1.1
240.07365	1.7
246.06892	1.4
249.05583	1.6
251.07155	5.8
252.07896	7.7
253.08719	6.5
261.05347	1.6
267.06720	3.1
269.08200	3.3
273.05591	1.9
274.06320	3.2
279.10153	1.5
281.08191	16.0
282.08475	1.6
289.05096	1.8
299.07040	1.2
299.86615	1.0
300.04105	1.2
301.05063	4.8
311.07144	1.5
317.04483	2.8
318.05319	5.5
325.08829	1.3
326.05908	2.1
327.06625	4.6
329.04568	2.1
338.05719	1.7
339.06628	5.6
340.07318	3.3
341.04462	2.3
341.08020	1.1
342.05316	2.9
343.06213	3.8
344.99725	2.1
345.04007	53.0
346.04767	100.0
347.05096	11.4
348.07315	1.2
350.05832	1.1
351.06641	1.5
353.04480	7.3
353.08429	2.2
354.05200	6.3
355.05957	2.6
355.09824	4.0
356.06683	3.0
357.03934	5.0
358.04929	1.5
359.05045	1.1
363.06610	2.5
363.10641	1.2
364.07281	3.6
365.08194	2.3
366.05164	2.7
366.09204	1.7
367.06000	24.7
368.06711	10.5
369.07526	3.2
370.04703	25.5
371.05508	33.7
372.06055	10.9
377.08478	1.0
378.05185	3.4
378.09457	1.5
379.05951	2.8
379.09775	3.4
380.06430	1.3
381.07291	10.0
381.12198	4.7
382.03845	2.1
382.08411	31.2
383.05493	5.1
383.09970	5.1
384.06161	1.7
385.06976	5.4
386.07974	7.3
387.08841	6.6
389.08148	4.2
392.06735	6.7
393.07373	1.2
395.05487	8.9
396.06134	11.4
396.10602	1.0
397.06613	1.3
397.10779	10.5
398.07813	13.7
398.12445	1.2
399.08682	26.0
400.09488	30.8
401.09674	3.0
407.09198	12.7
408.09656	2.6
410.07974	8.1
414.07446	5.4
415.11823	3.4
425.10272	92.8
426.10580	14.5
428.08844	1.3
443.11319	89.8
444.11676	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	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50906	1.4
55.01759	1.7
57.03325	3.0
59.01247	68.8
69.11232	1.0
69.28194	1.2
71.01253	27.5
71.50807	1.5
72.01608	1.2
72.99183	1.9
73.02821	11.5
75.00711	1.8
75.19747	1.1
79.95624	1.7
83.01272	5.7
85.02831	13.8
87.00753	1.9
89.02326	5.0
95.01257	1.9
96.95352	1.2
96.95875	6.5
98.95477	4.0
99.00755	3.0
101.02322	33.9
109.02834	2.3
111.00737	1.5
113.02329	13.0
117.05466	10.8
119.04913	3.0
120.99540	1.6
123.00756	1.6
125.02353	3.2
131.03398	35.6
135.04390	1.8
137.02287	1.7
145.02872	1.8
149.02339	2.1
151.03923	1.7
159.02901	4.2
161.02448	1.7
161.04478	11.9
163.03867	2.4
165.03998	2.9
169.01410	1.8
169.06223	1.3
173.05814	1.3
175.03905	2.1
175.07579	2.1
177.01900	6.6
201.09090	2.1
204.30522	1.3
231.10172	1.8
237.09712	6.5
249.13419	100.0
250.13794	6.5
381.17615	25.5
382.17847	2.3
396.93884	1.5
407.22989	1.4
437.83569	1.7
441.10333	6.8
441.14771	3.1
442.10031	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87858	1.4
55.01759	2.6
59.01249	72.2
61.98684	3.5
70.79536	3.6
71.01252	26.9
72.99177	3.5
73.02827	8.9
75.00749	1.5
79.95612	5.0
81.95200	3.9
83.01259	6.3
85.02817	14.2
87.00744	3.2
89.02317	5.2
95.01277	1.7
96.95885	18.0
97.02814	1.8
98.95463	18.2
98.96236	3.7
99.00747	4.7
100.50100	1.5
101.01702	2.9
101.02320	31.4
111.00695	1.9
113.02318	10.1
119.04887	4.4
120.99514	3.6
123.00764	1.9
123.04463	1.5
125.02317	6.1
129.01834	1.8
131.03403	46.1
134.03619	2.4
143.03467	1.9
145.02840	2.6
147.04346	1.5
151.03889	1.4
159.04388	1.7
160.01605	1.8
161.04468	9.4
163.03896	5.4
169.01326	6.9
175.03900	3.6
175.07559	2.5
187.07530	2.6
190.00911	2.5
191.01706	7.7
191.03227	1.7
201.09119	3.0
205.05051	2.0
216.15652	1.7
217.01498	1.5
231.10165	2.9
233.11665	2.2
249.04007	3.4
249.11421	4.2
249.13402	100.0
250.13690	5.1
263.12524	1.6
264.06400	1.7
264.36121	1.6
279.08682	4.8
289.07074	2.8
293.12823	1.9
298.98303	3.0
299.98929	3.8
300.99866	4.6
313.05698	3.4
353.06992	5.7
381.17538	19.7
382.17670	2.9
397.02261	1.5
397.11301	2.1
400.77078	1.5
408.24594	1.5
441.10303	27.3
442.10193	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	441.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54460	1.6
61.21083	1.6
84.90153	1.5
91.01765	1.7
97.98811	1.5
98.19775	2.9
117.03324	1.9
132.81204	1.4
133.49969	1.4
161.02344	24.2
174.03175	3.2
175.03833	3.9
187.00232	2.8
187.03860	7.6
189.01831	10.3
202.02902	1.9
206.67116	1.5
211.03844	2.0
215.03444	1.8
221.05911	8.3
224.04716	28.2
224.06720	2.5
225.05150	3.2
226.02635	2.5
237.05527	4.9
239.07098	62.7
240.07425	3.8
248.04726	2.3
249.05522	14.2
250.06155	2.8
251.07101	3.8
257.25543	1.8
261.05566	1.7
265.05084	4.4
267.06573	6.7
279.06540	9.1
279.84741	1.5
291.17355	1.8
327.06598	3.2
333.09366	1.8
343.06287	2.0
345.04013	5.6
346.04510	8.3
349.08664	3.2
351.06577	6.2
351.83664	1.8
352.07272	4.9
353.08234	4.7
354.05157	3.2
355.06021	12.5
356.06519	1.6
357.04028	4.5
358.04724	2.9
363.06656	6.9
363.96643	1.9
364.07220	3.3
366.05161	4.2
369.07556	3.2
370.04822	2.4
371.05405	4.2
376.07440	3.5
377.08063	19.3
378.08832	2.5
379.06055	19.7
380.06866	23.3
381.07559	14.7
382.08075	2.1
383.05600	37.1
384.06177	16.4
385.06955	4.0
391.06219	2.4
392.07086	2.6
393.07617	3.4
394.08450	6.2
395.05161	4.2
395.09613	15.6
396.05905	2.1
396.10291	2.8
397.06976	34.6
398.07867	29.7
399.08209	3.8
404.06656	2.3
405.07669	9.8
406.08005	2.7
407.05563	4.9
408.06323	13.7
409.07251	7.5
412.05414	7.3
413.10242	22.9
414.10800	3.9
423.08707	36.0
424.09076	6.1
426.07465	7.6
427.08328	1.7
441.09766	100.0
442.10187	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	441.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59925	1.2
61.98693	1.5
89.90208	1.4
102.38530	1.1
129.58592	1.2
142.71761	1.1
161.02361	1.6
225.05614	1.9
285.05508	1.4
311.07010	2.1
313.05060	5.6
325.05084	1.5
329.04532	2.8
339.06635	1.7
341.04486	19.1
341.08301	1.4
342.04929	3.8
354.05179	2.7
355.05988	3.7
356.06757	1.4
357.04007	15.1
358.04697	2.1
368.07150	1.4
369.03983	56.5
369.07474	2.6
370.04504	12.7
382.04880	2.7
383.05542	25.0
384.06281	36.9
385.06918	3.9
394.04651	2.1
397.07065	12.0
398.07831	12.9
412.05780	57.4
413.05960	6.8
413.10867	1.6
423.08664	2.3
441.09760	100.0
441.33871	1.6
442.10138	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	441.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
59.01245	1.0
63.22474	0.3
69.03320	0.5
69.34214	2.8
71.01260	0.8
74.98984	0.6
79.95660	0.3
81.03292	0.4
82.81255	0.3
83.01239	0.3
93.03342	0.4
97.02840	1.0
107.01272	0.3
109.02824	2.0
120.99538	34.0
121.02856	0.6
123.04380	1.7
125.02335	12.3
125.03264	0.7
126.02584	0.5
133.02855	0.7
135.04424	3.2
137.02356	1.1
145.02873	0.6
149.02396	0.8
151.03883	0.8
159.04439	1.6
161.02350	1.6
161.05916	0.4
162.03198	0.4
165.01880	0.3
168.00533	0.6
169.01337	17.1
170.01688	0.6
175.02177	1.2
179.03442	3.9
187.03859	0.7
189.00092	3.0
190.00865	100.0
191.01331	6.9
193.01326	0.8
203.01665	2.8
203.07083	1.1
205.04973	0.5
245.08171	1.5
271.06058	0.8
279.00546	0.6
279.03326	5.7
280.77798	0.4
289.07205	7.6
290.07275	0.5
299.99008	0.4
331.04565	0.4
337.09229	1.3
353.06973	27.3
354.07266	2.0
361.84921	0.3
441.08527	17.9
441.13678	1.0
442.08762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	1.7
59.15466	1.3
61.87469	1.3
71.49973	1.8
71.86078	1.3
72.92633	1.3
161.02333	6.3
175.03821	1.4
211.03979	2.9
217.07677	1.5
225.05527	4.1
285.05383	2.2
289.21326	2.5
313.04791	2.3
326.05960	3.4
327.06589	4.1
329.04419	2.2
341.04395	6.3
342.05252	4.2
353.04538	2.0
354.05231	4.8
355.06107	23.9
356.06558	4.6
357.04022	78.7
358.04413	11.4
366.05215	4.3
367.05865	2.7
369.03885	16.1
369.07742	3.1
370.04578	13.6
370.08429	1.5
379.06012	7.1
382.04651	2.5
383.05597	100.0
384.06226	36.8
385.06863	3.3
391.84506	1.5
393.03693	3.2
394.04813	10.2
395.04907	3.6
395.09726	7.3
397.07077	31.7
397.11868	2.3
398.02591	1.9
398.07861	54.2
399.08316	9.4
412.05798	96.4
413.05789	11.9
413.10440	3.5
422.07846	1.8
423.08691	13.9
424.08829	2.5
441.03775	2.0
441.09760	40.4
441.34387	7.3
442.10278	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	441.0825
Annotation	Epicatechin-3-gallate
Peak:m/z	Relative Intensity
57.03324	2.4
59.01247	2.0
67.01756	0.6
68.99672	0.6
69.03316	1.8
69.34013	3.0
69.34428	1.2
71.01250	1.0
78.31554	0.5
79.01749	0.5
81.03339	2.5
83.01252	2.4
83.99776	0.5
89.02284	0.6
93.03355	0.7
95.01270	1.1
95.04905	1.2
97.02822	3.8
107.01289	2.7
108.02035	0.7
109.02831	11.6
111.00748	1.1
121.02815	2.2
121.03603	0.5
123.00774	2.8
123.04422	7.3
124.01585	0.9
125.02331	74.8
126.02656	1.8
133.02856	0.5
135.04428	1.7
136.98669	0.6
137.02332	8.5
139.00253	1.5
139.03923	1.5
140.01033	1.0
141.13022	0.4
145.02840	3.1
146.03581	0.7
147.04402	0.5
149.02382	2.8
150.03172	1.2
151.03922	5.3
159.04373	1.8
160.05177	0.7
161.02356	0.9
161.04811	0.6
161.05954	3.1
162.03195	0.6
163.03819	0.7
164.01070	1.6
165.01823	2.5
166.99815	2.0
168.00563	2.6
169.01332	100.0
170.01649	3.8
175.03934	0.8
175.07475	1.0
179.03381	2.4
185.06085	1.1
187.03908	2.0
188.04733	1.4
193.01341	4.9
201.05640	0.8
202.06285	0.8
203.07082	5.4
205.01282	0.8
205.05061	2.6
221.08253	1.2
227.07034	1.3
229.04886	0.5
245.08145	5.6
246.08502	0.6
247.06143	0.6
249.88933	0.5
253.04935	1.2
259.06021	1.2
271.06131	3.2
287.05634	0.7
289.07172	36.8
290.07590	3.4
303.05109	1.7
331.04483	2.1
441.08151	4.9
441.17773	0.7
461.62259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1066
Annotation	Hallactone B
Peak:m/z	Relative Intensity
71.08565	0.4
71.43805	0.2
79.95606	13.9
92.01788	0.2
95.95123	0.3
96.95886	52.5
98.13570	0.2
109.96675	0.5
110.97465	1.2
116.67695	0.2
138.04221	0.2
141.95660	1.8
149.72868	0.2
167.00084	0.2
186.52873	0.2
199.20012	0.2
244.10757	0.2
248.91946	0.2
252.10303	0.2
252.13075	0.2
313.10751	0.5
316.06195	0.3
344.12698	0.6
359.15179	0.4
424.08276	1.5
439.10638	100.0
440.10956	9.7
440.17126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01726	0.8
58.00451	2.0
59.01251	100.0
60.01588	0.8
62.60336	0.8
69.21729	2.6
69.22154	5.7
71.01253	33.5
72.99187	3.4
73.02837	2.6
75.00745	1.2
79.95605	5.5
83.01248	2.7
85.02821	7.1
87.00768	1.3
89.02315	42.3
93.03388	1.0
95.01275	1.9
96.95892	19.4
99.00735	2.0
101.02325	23.0
109.02824	1.5
113.02322	13.3
119.03391	14.3
125.02309	2.8
131.03397	41.8
132.03766	1.2
136.98984	0.9
137.02278	0.7
137.81270	0.7
143.03394	4.9
149.02403	1.2
149.04465	16.2
150.03151	3.0
151.03931	1.5
153.01860	0.8
161.02400	1.1
161.04471	6.2
165.01826	1.6
165.05479	2.2
173.04440	0.9
175.03810	0.7
178.99818	0.9
179.03929	1.0
179.05539	17.8
180.05838	0.8
182.28815	0.9
191.05505	9.6
195.06534	5.5
197.56668	0.8
247.11844	17.4
251.07637	1.2
300.99786	2.1
325.33655	0.8
379.16107	14.9
380.16489	1.1
397.07843	0.9
439.10776	11.8
439.17142	1.6
440.11212	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	439.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28863	0.2
69.20060	1.9
69.20373	0.4
69.41599	0.2
79.95608	8.2
86.97390	0.2
95.95067	0.2
96.95888	100.0
97.95832	0.4
98.20587	0.4
109.02757	0.2
110.97470	0.7
121.02824	0.8
137.02342	0.8
147.04466	0.3
151.03906	0.3
159.04443	0.2
180.07924	0.2
269.08173	2.2
271.09933	0.3
281.08118	0.4
299.09216	2.0
300.09628	0.3
314.11603	1.5
315.12103	0.3
328.71417	0.2
439.10648	39.7
440.11005	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	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60724	0.2
67.67907	0.2
68.60363	0.2
71.28497	0.3
71.28870	0.2
79.95621	1.8
89.76985	0.2
96.95889	100.0
97.95829	0.4
104.39112	0.2
134.10783	0.2
142.48178	0.2
160.01530	0.4
170.47102	0.2
175.03929	0.5
194.52513	0.2
269.08148	0.4
271.61679	0.2
299.09500	0.2
314.11734	0.3
321.45471	0.2
327.52051	0.2
385.45978	0.2
429.13184	0.2
439.10663	20.6
440.10980	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	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86539	0.6
70.51855	1.7
78.95774	47.4
79.95618	1.3
81.47599	0.5
93.95103	0.7
95.15204	0.6
96.95893	81.8
96.96841	100.0
114.18842	0.6
118.90768	0.6
187.47736	0.7
214.47008	0.6
225.25185	0.6
254.80153	0.7
336.99857	0.8
337.95020	0.8
420.98187	0.9
439.08557	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	439.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
62.42425	0.4
71.01251	1.4
71.50988	0.6
79.95603	55.2
80.96394	1.1
85.02826	0.9
93.03378	0.6
95.95102	15.7
96.95884	100.0
107.45454	0.4
108.02045	0.9
110.97452	6.0
115.84723	0.4
121.02844	0.6
123.04425	0.4
125.02293	0.6
134.03596	0.6
135.04427	0.7
137.02341	2.6
140.51872	0.4
141.95688	2.4
147.04413	0.5
149.99831	1.5
159.04384	0.5
160.01537	0.6
160.05244	0.9
161.02367	0.6
161.06006	0.7
163.03873	0.9
164.98520	0.6
173.04469	0.5
175.03862	0.8
175.07587	1.0
177.05475	0.9
179.07092	0.5
193.04988	0.6
204.07809	0.4
217.08705	0.9
220.59058	0.5
245.26569	0.4
249.72847	0.4
259.02771	3.8
273.03998	0.5
300.99933	0.5
301.03772	0.6
307.17392	0.5
314.11401	0.4
315.05527	0.8
323.80792	0.4
329.13962	1.1
351.16016	1.2
424.08173	2.9
439.10632	99.0
440.10983	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	439.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55116	0.7
59.01245	1.3
61.98691	1.1
69.42020	7.5
71.16071	0.8
96.95870	1.6
161.02313	2.7
217.67548	0.9
276.09714	0.9
322.06381	2.2
323.07098	1.2
335.07019	10.0
336.07593	1.8
339.06580	2.5
350.05841	14.6
351.06467	8.2
352.07208	2.1
353.04462	2.4
353.08350	1.4
355.06006	1.7
357.04251	1.8
363.06662	1.0
366.05222	1.8
367.01877	1.2
367.05960	7.2
368.06839	6.0
369.07550	1.5
370.04819	3.7
377.07974	4.3
378.05289	84.8
379.06000	66.9
380.06448	9.7
381.04233	2.5
382.04843	1.4
383.05508	3.4
391.06174	3.2
392.06726	3.6
393.07718	9.6
395.04984	10.3
395.09381	3.9
396.06326	97.5
397.06747	15.6
405.04068	3.2
406.04706	4.4
407.05743	1.9
421.07162	100.0
422.07520	14.1
424.05826	2.9
439.08194	71.5
439.32196	7.5
440.08722	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	438.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.5
65.00191	4.4
65.99715	2.3
70.81236	1.8
70.81580	4.4
71.01283	2.0
79.95602	4.2
83.01253	3.2
84.00597	1.6
86.55684	1.5
93.03313	3.2
95.81476	1.7
96.95885	86.0
102.17633	1.9
107.01270	9.0
107.93817	1.6
109.02828	14.3
121.02785	3.2
123.00764	3.1
125.02313	6.6
133.02837	3.2
134.02342	1.6
137.02356	14.3
148.01544	4.9
149.02341	11.3
151.00269	29.0
152.00961	3.8
153.01805	3.2
159.00697	1.7
160.03917	7.7
161.02321	6.8
163.00374	7.9
164.03453	9.5
165.01868	4.1
166.03253	1.8
169.01317	3.6
175.00304	3.3
176.03404	2.0
177.01808	11.3
178.99779	16.2
181.01376	2.4
186.01836	3.4
187.00183	3.2
187.02565	2.2
188.03424	2.3
190.01364	7.5
193.01393	14.5
202.01357	4.1
203.03471	3.0
204.02878	4.3
208.02414	5.6
214.01309	10.1
215.03458	2.0
217.04948	2.0
218.00871	7.9
220.02403	7.1
222.04008	6.5
227.03339	3.4
232.02356	2.1
243.02901	6.8
245.04686	2.0
247.02402	2.0
248.01999	9.6
254.02322	2.0
255.02992	14.1
267.02829	5.4
269.04507	2.6
271.02441	29.2
273.03934	5.5
285.03986	5.0
291.04965	3.0
295.02527	3.9
299.01935	3.0
300.02728	82.3
301.03088	7.9
313.03555	22.9
314.03717	2.0
317.03107	11.6
322.03467	6.5
340.04572	100.0
341.04999	9.6
344.48676	1.8
356.03915	2.7
358.05658	92.5
359.05869	8.2
420.00482	2.3
438.01318	15.4
438.10867	3.6
439.10574	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	437.2022
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.40053	0.8
54.86838	0.8
55.01760	1.1
56.55875	0.7
56.58882	1.0
58.00468	3.1
59.01249	74.6
60.01593	1.1
61.98699	0.8
69.03338	5.7
71.01252	71.4
71.51798	1.5
72.01592	1.2
72.99192	4.0
73.02821	13.7
75.00729	4.5
80.16440	1.1
80.78066	0.9
81.03336	2.7
83.01254	4.0
85.02826	7.2
87.00751	2.3
89.02314	100.0
90.02688	1.3
93.03346	0.9
95.01261	3.0
96.95900	1.1
97.02840	8.3
99.00755	21.4
101.02319	29.2
102.02644	1.0
109.02830	1.1
111.00782	1.7
113.02335	7.9
115.03905	4.7
119.03403	1.4
125.02334	38.2
131.03375	11.1
137.02376	1.3
143.03410	4.2
143.10670	43.4
144.10977	1.1
149.04451	26.1
157.12254	3.4
161.04454	2.7
175.03947	3.6
185.11754	5.7
186.12202	1.0
191.05525	11.3
197.11798	1.1
215.12868	2.1
233.06615	23.1
293.08792	29.8
294.09140	2.6
313.05374	1.1
336.43320	1.0
437.18637	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	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	5.3
59.01247	86.3
60.14422	1.9
69.03320	6.0
69.34012	10.9
69.34426	5.9
71.01250	75.5
72.99191	3.6
73.02810	14.3
75.00747	2.8
81.03327	3.4
83.01270	3.8
85.02833	8.1
87.00770	4.0
89.02310	100.0
93.03387	2.1
95.01275	4.6
97.02835	8.4
99.00750	20.2
101.02325	31.3
102.02766	1.7
113.02332	8.1
115.03889	5.3
119.03378	4.4
125.02335	46.5
126.02691	2.6
131.03394	16.9
140.37920	1.9
143.03407	6.1
143.10667	46.7
144.11031	2.8
145.40321	2.1
149.04457	30.9
151.75198	2.0
157.12253	6.3
161.04451	2.7
168.31625	2.0
175.03957	4.2
185.11725	4.1
191.05548	15.7
197.11993	2.2
203.52705	1.9
215.12744	3.9
217.76306	1.8
233.06621	26.7
293.08777	36.2
300.99838	2.3
311.09708	2.4
437.19028	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	437.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19151	0.2
53.94450	0.2
59.01257	1.4
61.66305	0.2
64.21544	0.2
65.61762	0.2
71.01254	0.5
71.51740	0.3
73.02779	0.2
75.00751	0.2
85.02792	0.2
88.17210	0.2
96.95884	0.7
101.02342	0.3
117.05454	0.6
119.04929	0.2
120.99503	0.4
128.79735	0.2
130.04144	0.6
131.04924	4.0
132.05231	0.3
133.02815	0.2
145.02907	0.4
147.04373	1.2
157.02930	0.4
158.03610	0.4
173.02402	0.4
174.03151	11.7
175.03922	100.0
176.04260	5.5
184.45435	0.2
185.11148	0.2
275.08344	0.4
319.08118	0.4
437.09375	0.4
437.18503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	76.2
61.98708	20.2
71.01256	67.7
71.50219	18.6
72.99193	12.0
73.02810	26.1
75.00738	30.9
85.02815	33.4
87.00754	12.0
89.02307	34.8
96.95855	14.0
97.07840	10.9
101.02343	52.5
103.63613	14.2
108.01970	12.3
109.02822	36.5
109.99957	14.2
111.00780	26.8
113.02325	32.4
119.04912	11.2
120.99518	20.2
123.00793	11.1
123.04445	12.1
125.02327	31.3
139.03848	15.3
149.02351	11.5
161.02367	13.1
161.04466	27.9
165.05476	20.1
169.01315	31.5
173.04552	13.0
190.02612	23.4
208.03513	12.4
208.66318	11.6
229.01440	14.6
231.06538	22.0
269.10318	25.9
274.01224	68.4
275.01776	25.8
275.05582	19.8
300.99857	49.3
305.16043	31.5
377.18228	17.5
401.14453	100.0
402.14545	12.9
436.97858	12.5
437.07086	40.0
437.12189	28.3
437.20041	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	437.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46008	3.0
59.01243	22.1
63.86179	2.9
69.03306	3.7
69.40220	14.8
69.40650	10.5
71.01251	16.7
72.37244	3.0
73.02823	6.6
75.00719	4.2
78.95786	5.1
80.57299	3.1
85.02827	6.8
89.02309	13.4
95.01275	4.6
96.55856	3.6
96.95885	100.0
96.96847	8.6
101.02318	7.0
108.02038	3.6
109.02842	6.6
109.99973	4.9
111.00762	18.9
113.02329	7.2
119.03339	4.4
123.04433	6.0
124.98753	6.8
125.02303	6.9
135.02876	3.9
135.04352	3.3
137.02266	4.2
144.04475	4.8
149.02232	3.3
151.03928	3.9
152.01122	3.0
159.02946	2.8
159.04378	16.6
161.04422	4.2
165.05435	4.4
167.03383	9.6
169.01358	7.1
173.02583	3.0
217.01414	4.2
275.01834	9.2
283.02472	4.1
289.07111	5.6
300.99954	17.7
305.16013	8.8
323.01953	3.2
347.07892	7.3
397.26160	3.7
422.96112	3.3
437.11136	6.6
443.43304	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	437.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48000	0.5
59.01257	0.8
66.13708	0.6
71.50699	0.6
73.34212	0.5
84.52789	0.6
102.86790	0.6
142.07693	0.6
153.17180	0.5
229.65756	0.6
242.57042	0.5
282.06729	0.7
299.99033	1.2
307.07593	1.1
310.06384	0.8
311.07001	1.0
313.05029	0.8
318.06259	0.6
322.06406	0.7
323.07166	0.7
325.05048	0.7
325.08823	0.9
334.06143	1.0
335.07254	2.4
336.07840	1.4
337.04999	0.9
337.08716	2.4
338.05862	1.7
339.06580	1.9
341.04568	2.3
350.05853	0.9
351.06497	1.6
353.08261	0.7
362.05823	3.3
363.06607	11.9
364.07245	4.9
365.08026	2.3
366.05322	3.5
367.06204	3.0
378.04968	0.7
379.06107	1.9
380.06781	2.2
381.07669	8.6
382.08005	1.8
390.05759	0.6
391.06146	15.1
392.06732	8.0
393.07495	2.2
394.04718	1.4
395.05377	2.5
396.06509	1.0
407.05746	2.8
408.06296	1.5
409.07126	15.7
410.07593	3.0
435.04993	2.9
436.05850	2.8
437.06650	100.0
438.06976	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	437.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
71.50338	1.2
78.95833	0.6
82.79482	0.7
95.19447	0.5
99.47702	0.7
104.04330	0.6
128.68832	0.6
130.45416	0.7
141.78386	0.7
148.59225	0.6
243.94153	0.7
298.36557	0.8
300.99915	0.9
307.07617	0.9
329.04416	1.1
335.07263	1.5
351.06631	1.3
352.07196	1.1
353.08475	1.0
363.06589	2.1
364.07269	0.7
366.05377	3.0
367.05914	1.3
379.05960	3.1
380.06812	4.9
381.07651	24.0
382.08148	2.2
391.05997	1.5
392.06650	2.1
395.05557	1.4
396.05923	0.9
409.07135	34.6
410.07513	4.9
437.06647	100.0
437.30392	2.2
438.07013	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	437.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41394	0.3
82.11212	0.4
102.78012	0.3
113.03354	0.3
233.80811	0.3
280.97787	0.3
299.98825	0.3
307.07614	0.8
309.09320	0.4
310.06320	0.5
323.07205	0.3
334.06259	0.7
335.07040	3.2
336.07742	1.3
337.08704	1.4
339.02350	0.3
339.06558	1.0
351.06506	1.2
352.07321	1.2
353.08160	0.9
361.05075	0.7
362.05835	4.0
363.06580	22.7
364.07101	4.8
365.08118	1.4
366.04886	0.5
367.06082	0.7
379.06186	1.7
380.06769	3.6
381.07632	4.7
382.08163	0.8
389.04395	0.4
390.05215	3.4
391.06082	29.1
392.06555	6.6
393.07523	1.4
394.04385	0.7
395.05362	1.4
396.06393	0.7
407.05716	0.6
408.06213	0.9
409.07123	14.2
410.07361	2.0
419.05585	2.0
420.06128	0.7
436.05832	3.7
437.06610	100.0
438.06961	15.2
438.13043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	14.2
59.01243	2.8
61.98689	1.4
65.00191	0.6
69.19923	1.8
69.20329	0.5
71.01248	0.8
81.03333	2.2
83.01262	4.0
83.20348	0.2
85.02792	0.3
89.02325	0.4
93.03326	0.3
95.01230	0.3
99.00715	0.2
101.02309	0.7
107.01270	0.8
109.02816	0.5
113.02250	0.3
117.05443	0.5
120.99545	0.7
123.00784	0.4
124.01546	1.6
125.02328	100.0
126.02679	2.9
133.02815	0.4
134.03639	0.3
135.04393	1.0
137.02385	0.5
139.99216	0.2
150.03120	3.7
151.00266	2.3
151.03848	0.7
151.99255	0.9
152.01047	3.7
153.01801	0.5
154.00848	0.6
156.53966	0.2
161.02332	0.4
163.99286	5.5
164.04684	0.5
164.99962	0.3
165.01826	0.5
165.05482	5.2
167.01669	0.4
169.01326	0.3
171.58949	0.2
175.03885	0.4
177.01866	0.6
178.00821	0.4
178.99783	3.0
179.01630	3.6
179.03226	0.4
179.98790	5.7
180.01674	0.2
187.03937	0.3
187.07593	0.4
189.01805	0.3
194.05745	0.4
195.01137	4.6
203.01653	0.4
203.98822	0.4
206.00349	0.9
207.98303	1.9
209.08167	0.3
211.06148	0.4
215.03325	0.3
221.02698	2.1
223.00656	4.2
225.07529	0.4
230.00418	0.4
231.06522	0.4
231.98273	0.6
239.03622	0.3
245.02588	0.3
246.03625	0.3
247.00702	0.4
248.01430	1.1
253.01358	0.3
257.04486	0.3
263.03690	1.2
265.07150	0.9
272.01425	0.7
282.01599	2.2
283.02438	3.6
287.03842	0.4
288.00946	0.8
290.02509	0.4
293.12393	0.4
297.04013	8.5
298.04346	0.7
305.04877	3.2
306.05078	0.3
313.01941	0.4
316.00470	1.2
317.01230	0.3
317.10156	0.2
321.04251	0.7
331.02783	19.0
332.03094	1.7
333.09506	0.3
349.03860	3.7
350.04480	0.3
377.11917	0.3
402.30460	0.2
409.05640	0.3
419.04355	2.2
420.04675	0.3
437.05377	14.3
438.05499	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	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.4
59.01247	100.0
59.70605	0.7
60.01585	1.3
63.95700	0.7
69.24837	7.1
71.01254	5.0
73.02814	1.1
75.00744	1.3
85.02817	2.8
87.00726	1.9
89.02286	1.5
95.01231	0.8
97.06458	1.0
98.19834	1.7
99.00715	1.5
99.04372	3.0
101.02322	2.6
113.02321	1.7
125.02311	0.9
153.01744	0.8
159.40889	0.7
161.04401	1.2
165.03839	1.0
165.12698	2.7
181.08640	1.1
185.11786	6.8
186.12201	1.1
207.13829	3.0
209.11780	6.7
218.17734	0.8
225.14874	5.1
227.12840	41.1
228.13147	2.6
243.12193	1.6
269.13925	7.7
272.03183	2.4
287.14984	99.6
288.15308	9.2
301.99554	0.8
303.00214	1.0
435.18570	35.9
436.19171	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	437.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08562	0.3
57.03320	13.4
59.01257	2.3
61.98690	0.9
65.00175	0.5
69.22988	1.4
69.23407	1.8
71.01263	0.6
79.81371	0.3
81.03329	1.6
83.01251	4.6
87.56500	0.3
88.29938	0.3
95.01293	0.4
101.02290	0.4
107.01273	0.7
109.02843	0.5
120.99525	0.8
123.00735	0.4
124.01542	1.2
125.02327	100.0
126.02658	2.6
132.70454	0.4
133.02824	0.4
135.04419	1.0
137.02301	0.4
139.00253	0.4
141.41888	0.4
150.03104	3.1
151.00299	2.1
151.03900	0.9
151.99242	1.3
152.01070	3.5
153.01767	0.7
154.00819	0.9
161.02388	0.5
163.99283	5.3
164.99860	0.4
165.01849	0.5
165.05479	5.1
167.01775	0.4
175.03857	0.6
178.00780	0.3
178.99774	2.1
179.01608	4.4
179.03192	0.6
179.98793	6.0
187.03880	0.4
187.07608	0.5
194.05782	0.4
195.01131	3.7
206.00378	1.3
207.98315	1.6
211.03940	0.5
211.05887	0.5
216.00320	0.3
221.02747	2.3
223.00668	4.2
231.98317	0.5
247.00705	0.7
248.01468	0.4
257.04596	0.5
263.03793	0.9
265.01709	0.5
265.07028	0.5
272.01331	0.8
282.01654	1.6
283.02411	3.4
284.02731	0.4
287.03687	0.6
288.01144	0.8
293.12509	0.7
297.03995	8.5
298.04285	0.8
305.04837	4.1
316.00262	1.2
321.04218	0.8
331.02789	21.2
332.03201	1.8
349.03839	3.6
409.05783	0.6
419.04282	2.5
437.05374	14.0
438.05847	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	435.1295
Annotation	Trilobatin
Peak:m/z	Relative Intensity
56.79263	0.3
57.03320	2.1
58.00474	0.6
59.01248	18.9
60.01592	0.8
61.98705	1.0
63.02289	0.4
65.00183	1.4
68.99708	0.4
69.03315	0.6
69.18914	4.0
71.01250	7.6
72.99173	0.7
73.02806	1.3
81.03323	11.9
83.01249	5.6
85.02846	2.3
87.00757	1.0
87.04389	0.5
89.02294	3.8
93.03333	9.6
93.03925	0.5
95.01271	0.9
95.04871	0.8
99.00739	0.9
99.04447	0.3
101.02328	3.7
107.01292	1.9
108.02071	0.7
109.02856	0.9
111.04367	0.5
113.02312	2.7
119.03451	2.1
119.04902	12.1
120.05251	0.5
121.02827	0.8
123.04402	35.9
124.04736	1.1
125.02328	18.3
126.02653	0.5
135.02917	0.4
135.04378	1.8
137.02327	1.0
141.09093	0.5
145.02869	0.5
149.02379	2.8
151.00267	3.4
153.01820	3.6
161.04446	1.0
165.01831	0.4
165.05475	0.5
166.02602	0.4
167.03404	86.3
168.03778	3.2
171.04469	0.6
173.04449	0.7
175.03876	1.4
177.01881	0.8
179.03413	9.1
179.05032	0.6
179.05649	0.5
185.04428	0.4
187.03989	0.5
187.07530	0.8
189.01811	1.1
189.05484	2.2
190.02658	0.4
191.03419	1.7
211.07620	0.7
217.01321	0.6
219.93147	0.4
229.08603	1.0
255.06656	1.5
273.07666	100.0
274.08029	7.1
297.07791	0.7
301.99649	0.6
302.03375	0.6
309.07791	0.7
341.06653	2.2
389.65506	0.4
435.13226	2.1
435.18381	0.6
435.25632	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	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79263	0.3
57.03320	2.1
58.00474	0.6
59.01248	18.9
60.01592	0.8
61.98705	1.0
63.02289	0.4
65.00183	1.4
68.99708	0.4
69.03315	0.6
69.18914	4.0
71.01250	7.6
72.99173	0.7
73.02806	1.3
81.03323	11.9
83.01249	5.6
85.02846	2.3
87.00757	1.0
87.04389	0.5
89.02294	3.8
93.03333	9.6
93.03925	0.5
95.01271	0.9
95.04871	0.8
99.00739	0.9
99.04447	0.3
101.02328	3.7
107.01292	1.9
108.02071	0.7
109.02856	0.9
111.04367	0.5
113.02312	2.7
119.03451	2.1
119.04902	12.1
120.05251	0.5
121.02827	0.8
123.04402	35.9
124.04736	1.1
125.02328	18.3
126.02653	0.5
135.02917	0.4
135.04378	1.8
137.02327	1.0
141.09093	0.5
145.02869	0.5
149.02379	2.8
151.00267	3.4
153.01820	3.6
161.04446	1.0
165.01831	0.4
165.05475	0.5
166.02602	0.4
167.03404	86.3
168.03778	3.2
171.04469	0.6
173.04449	0.7
175.03876	1.4
177.01881	0.8
179.03413	9.1
179.05032	0.6
179.05649	0.5
185.04428	0.4
187.03989	0.5
187.07530	0.8
189.01811	1.1
189.05484	2.2
190.02658	0.4
191.03419	1.7
211.07620	0.7
217.01321	0.6
219.93147	0.4
229.08603	1.0
255.06656	1.5
273.07666	100.0
274.08029	7.1
297.07791	0.7
301.99649	0.6
302.03375	0.6
309.07791	0.7
341.06653	2.2
389.65506	0.4
435.13226	2.1
435.18381	0.6
435.25632	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	435.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
63.27472	0.4
65.29462	0.4
69.35246	3.3
69.35650	0.7
76.46407	0.4
77.82903	0.4
84.23834	0.5
87.97829	0.4
88.24512	0.3
91.01789	0.5
93.03328	4.9
93.74654	0.5
95.04924	1.1
109.02837	10.1
110.03183	0.5
117.03369	1.2
119.04887	1.1
121.02877	0.8
123.04415	8.1
125.02303	0.8
133.02812	1.9
137.02336	0.5
145.02864	5.0
147.04433	2.2
149.02400	0.7
150.03127	1.2
151.03897	3.6
159.04413	0.9
161.02353	1.2
176.01062	1.0
177.01851	13.6
178.02124	0.5
183.48096	0.5
187.03920	0.9
189.01854	29.8
190.02625	6.7
191.03418	6.6
203.03441	3.1
216.00635	4.8
217.01366	20.9
218.01900	2.2
219.02930	8.4
220.03308	0.5
227.07382	0.5
229.05132	0.4
229.08585	0.7
231.02979	7.7
232.03537	0.7
233.04486	1.1
233.52643	0.4
255.06651	0.6
269.04614	0.6
271.06094	3.0
281.04526	1.0
283.06058	0.5
289.07169	4.1
297.07666	1.1
311.05557	5.0
312.05905	0.6
323.05652	1.2
325.07068	0.8
325.38947	0.5
341.06631	100.0
342.06982	10.4
352.93771	0.5
435.10797	36.6
436.11166	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	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60163	0.4
55.78618	0.4
59.01239	4.9
61.98687	0.7
65.00194	1.1
68.90031	0.4
68.99684	0.5
69.03316	1.3
69.34086	0.7
69.34497	3.1
71.01257	2.8
73.02823	1.0
75.00741	0.5
79.01746	0.5
81.03311	1.8
83.01244	0.8
85.02818	1.4
86.04274	0.4
87.00745	0.4
87.15544	0.4
89.02308	1.5
92.99689	1.5
93.03323	2.6
94.00612	0.4
95.01255	4.5
97.02820	1.2
97.99973	4.2
98.20560	0.4
99.00741	0.9
101.02299	1.7
104.01992	0.4
107.01268	2.8
107.04912	1.7
108.02055	17.2
109.02839	8.5
113.02335	1.3
119.03315	0.4
119.04948	0.5
120.99188	5.8
121.02833	1.3
123.00757	3.0
125.02326	1.3
131.03421	0.5
133.67143	0.4
135.00760	0.9
135.04404	1.8
136.01526	0.6
137.01398	0.7
137.02344	7.9
141.06981	1.0
143.30589	0.4
145.02846	0.6
147.04413	0.6
147.72269	0.5
149.02295	0.6
149.99512	4.0
151.00272	6.1
151.03867	1.0
153.01781	0.5
154.79787	0.5
155.10736	0.5
158.03584	0.4
159.04411	0.8
161.02324	0.7
161.04494	0.5
163.00269	3.6
163.03934	1.0
165.01756	2.2
173.02344	0.6
174.03024	0.5
175.03867	1.6
177.01828	1.2
178.14410	0.4
179.03448	0.8
181.01340	1.3
185.05931	1.3
187.03908	1.0
189.01880	0.5
191.03423	1.8
191.05518	1.7
192.00542	1.0
202.18669	0.5
204.00562	1.2
205.01222	0.6
207.02977	1.2
207.82249	0.4
213.05566	0.5
215.03346	1.2
216.04192	0.9
217.01360	0.7
219.02951	1.4
229.05019	4.3
241.05096	1.2
257.04523	100.0
258.04889	6.3
270.05042	0.5
271.06073	1.2
272.06888	52.3
273.07529	8.9
273.10269	0.4
274.08115	0.6
277.03403	0.6
283.06104	0.6
285.07654	1.3
287.22128	0.8
295.42819	0.5
300.99701	0.6
301.99698	1.1
303.18134	0.8
315.08752	3.5
327.08649	1.0
335.05746	0.6
337.05643	0.8
341.06689	0.7
435.03983	1.1
435.12955	16.4
435.22406	1.2
436.13168	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	435.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03284	0.9
58.59685	0.5
59.01245	6.5
61.71393	0.5
67.67687	0.5
71.01250	3.8
71.51402	0.6
73.02785	1.3
75.00714	0.7
81.23108	0.6
83.01228	1.4
85.02783	0.8
86.03584	0.6
86.11394	0.6
89.02278	1.6
93.03334	9.7
95.04866	1.3
97.02843	1.1
99.00723	0.6
101.02261	2.3
108.01987	0.9
109.02832	20.1
110.46561	0.6
113.02290	1.3
113.36107	0.6
117.03343	3.7
119.03407	0.8
119.04903	3.6
121.02776	1.6
123.03568	1.0
123.04404	17.2
124.04640	0.8
125.02328	3.9
131.03342	0.7
133.02844	2.9
135.02855	0.8
135.04381	1.3
137.02341	4.3
145.02859	14.2
147.04417	4.3
148.04691	0.7
148.65887	0.6
149.02313	1.1
150.03067	1.5
151.03920	7.2
159.04381	2.4
161.02315	3.6
161.04407	1.4
161.05898	1.3
162.02974	1.0
163.03902	1.6
165.01813	5.0
173.02333	1.1
174.03076	1.5
175.03876	2.0
176.00986	1.5
177.01845	23.6
178.02202	1.3
179.03409	1.1
185.06070	0.7
187.03915	3.7
188.04697	0.9
189.01846	53.9
190.02599	12.5
191.03433	12.9
192.03799	0.7
202.04922	1.1
203.03467	5.9
203.06995	1.2
204.99506	1.7
205.04968	1.2
205.99902	1.9
206.99097	2.1
216.00597	8.4
217.01363	35.4
218.01857	3.4
219.02901	13.7
227.07025	1.3
229.08585	0.7
231.02948	10.2
232.03558	1.0
233.04535	1.2
241.05014	1.6
245.08104	1.5
261.05408	0.7
269.04291	1.0
269.08206	0.9
271.06128	3.2
272.02786	0.7
281.04440	1.7
283.06091	2.4
289.07126	12.9
290.07471	1.6
297.07663	2.0
299.01852	0.7
299.99133	0.8
300.02454	0.8
300.99521	1.0
301.99857	1.1
302.03275	0.9
303.18201	1.5
311.05518	4.9
312.05933	0.7
315.04742	3.0
317.17441	1.4
317.67261	0.7
323.05627	1.6
341.06616	100.0
342.03085	1.0
342.07001	9.9
355.06372	1.6
435.10834	36.6
435.26379	3.2
436.11118	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.41345	0.6
59.01255	7.1
59.63165	0.6
61.98710	0.7
65.00186	0.7
71.01232	4.1
71.51826	1.0
71.62292	0.8
73.02814	1.2
82.75180	0.6
83.01250	1.4
85.02810	1.3
89.02312	1.3
93.03342	10.2
95.04891	1.9
96.95889	1.3
97.02831	1.1
99.00842	0.7
101.02303	3.8
103.12590	0.7
105.03347	0.7
109.02838	23.4
113.02355	1.3
117.03361	4.9
117.80219	0.7
119.04933	4.3
121.02798	1.6
123.04401	17.2
125.02333	4.3
128.41856	0.7
133.02838	3.3
135.02847	0.8
135.04395	1.6
137.02345	5.9
145.02844	17.3
147.04410	5.8
149.02342	2.1
150.03102	1.8
151.03909	8.6
157.79330	0.6
159.04425	3.2
161.02330	3.1
161.04553	1.1
161.06013	2.2
162.03030	1.1
163.03897	2.8
165.01852	5.6
173.02338	1.0
174.03107	1.6
175.03867	2.0
176.00989	0.7
177.01863	24.3
177.20639	0.7
178.02132	1.5
179.03371	1.4
179.05524	0.8
187.03885	3.9
188.04622	0.9
189.01860	56.5
190.02603	12.9
191.03439	13.2
191.05487	2.0
192.03796	0.9
203.03427	8.5
203.07060	2.5
204.99576	1.1
205.04991	1.5
206.99178	0.8
208.00095	0.6
215.03574	0.8
216.00584	9.8
216.04013	0.7
217.01370	43.2
218.01939	3.6
219.02916	14.1
220.03319	0.8
221.08217	0.7
227.07042	1.1
229.05002	1.0
229.08655	1.8
231.02919	12.0
232.03491	2.0
233.04408	1.4
241.05011	2.6
245.08154	2.9
253.08563	1.0
269.04581	1.1
269.08142	1.6
271.05899	3.2
281.04578	2.0
283.06021	1.9
289.07217	16.3
290.07578	0.8
297.07648	1.9
300.02417	1.3
301.99802	0.9
303.18100	1.9
311.05542	3.8
314.04205	1.3
315.04599	2.9
323.05554	1.8
325.07254	1.0
335.05542	0.8
341.06641	100.0
342.06970	10.8
355.06479	2.5
374.51743	0.7
435.05365	1.7
435.10843	36.0
435.25900	3.0
436.11069	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07409	0.6
59.01248	24.0
60.01586	3.2
61.01669	3.7
61.98701	100.0
69.56752	3.3
69.57162	1.0
71.01254	3.4
73.02797	0.5
83.01275	0.7
85.02840	0.9
87.00758	0.7
89.02340	1.2
93.03352	0.6
98.19779	0.7
99.00712	0.5
101.02333	1.1
102.02681	1.0
107.01275	1.6
108.02108	0.6
109.02837	0.7
109.13359	0.6
113.02322	1.2
119.03477	0.6
119.04929	1.8
120.05276	1.2
121.02871	3.1
122.03603	0.6
123.00744	3.5
125.02322	3.2
133.02872	0.6
135.04431	3.5
136.04424	0.5
151.00282	5.0
152.00667	1.6
161.04553	1.1
169.01337	5.4
181.05032	0.9
211.02495	1.0
219.02962	0.5
224.10576	0.5
243.31760	0.5
255.02994	1.0
256.03476	1.0
271.02698	1.4
271.06219	1.8
272.02951	2.7
272.06540	5.9
299.99280	2.1
300.02753	1.8
300.99588	6.4
301.03247	5.2
302.00253	2.6
302.03906	4.7
374.21689	0.7
434.04538	2.4
434.12308	0.9
435.08734	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	435.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71084	0.4
59.01252	6.0
61.74152	0.6
61.98699	1.1
69.03336	0.6
69.23767	5.1
71.01273	3.2
73.02825	1.1
75.28394	0.5
77.62753	0.5
81.03357	0.8
83.01236	0.5
85.02821	3.5
89.02314	0.7
93.03334	63.1
94.03690	1.5
95.01275	1.5
98.20670	0.9
99.00771	1.1
101.02331	2.3
108.02051	61.3
109.02853	23.9
113.02341	1.9
121.02849	1.1
123.00777	2.0
123.04390	1.2
125.02324	1.4
126.91676	0.5
133.02835	0.6
135.04387	1.3
137.02341	100.0
138.02676	4.7
144.94553	0.5
149.02301	0.6
151.03868	1.6
152.01057	89.8
153.01849	35.3
153.02884	0.5
154.02165	0.8
161.02316	0.8
163.03954	1.8
165.01852	1.2
173.02249	0.6
177.01836	1.1
179.03412	1.1
189.01901	2.6
191.03377	0.7
195.02858	1.1
217.01390	1.3
219.03040	3.6
231.02879	0.5
245.23961	0.6
279.05090	3.3
281.06732	0.5
297.06122	22.4
298.06552	1.7
303.00693	0.7
315.07224	20.8
316.07547	1.4
338.06335	2.5
341.06592	4.0
419.57791	0.7
435.09280	98.5
436.09592	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84755	0.6
54.79800	0.7
55.01742	3.2
55.65260	0.6
57.03314	3.2
58.00465	2.3
58.17065	0.6
58.54759	0.6
59.01249	100.0
60.01587	0.9
69.28759	6.0
71.01253	47.6
71.04903	0.6
72.01581	0.7
72.99183	3.0
73.02817	8.9
76.69032	0.6
83.01244	6.4
85.02824	15.8
85.99930	0.7
87.00771	3.1
89.02316	43.1
90.02700	0.8
93.03346	0.8
95.01260	3.5
97.02863	0.9
98.20558	1.2
99.00755	5.4
101.02323	39.5
107.01261	1.3
108.02022	0.7
111.00800	1.3
113.02328	20.5
119.03391	22.7
123.00761	1.2
125.02341	2.2
126.67466	0.7
131.03407	3.0
137.02324	0.8
143.03346	4.1
149.04459	2.0
151.00237	4.5
159.02870	1.7
161.02374	0.7
161.04448	10.2
163.00163	0.7
163.18105	0.8
177.01830	0.8
178.99809	1.7
179.05505	8.1
193.05067	1.1
201.01901	0.7
211.04204	0.8
211.16966	2.4
227.03423	1.0
243.02983	2.4
253.05142	0.8
255.02983	5.2
256.03436	1.0
271.02499	12.6
271.09711	1.2
271.19254	1.2
272.02890	1.6
299.01630	0.9
299.99084	26.1
300.02740	21.8
300.99820	15.6
301.03467	18.8
302.00226	1.5
302.03738	1.7
373.12927	0.9
373.22290	10.9
374.22427	1.3
403.23315	3.2
433.03152	13.5
433.08594	3.7
433.14719	1.5
433.24347	31.5
434.04254	1.8
434.09137	0.9
434.24579	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92411	0.4
55.01761	2.5
57.03325	2.2
57.34996	0.4
58.00460	2.2
59.01250	100.0
60.01584	1.9
69.44507	0.9
69.44910	2.7
71.01253	40.2
71.43716	0.5
72.01591	0.5
72.99168	2.6
73.02815	6.9
75.00743	0.9
83.01252	4.3
85.02827	12.0
87.00749	2.9
89.02317	33.1
95.01273	1.9
97.02868	0.5
98.19750	0.9
99.00759	2.7
99.04421	0.5
101.02324	25.4
102.02630	0.9
109.02843	0.6
111.00791	1.2
113.02330	17.1
119.03394	20.1
120.03765	0.5
121.02808	0.8
125.02318	1.2
131.03410	2.1
134.36676	0.5
137.02371	0.8
139.00174	0.7
143.03378	3.2
149.04482	1.2
151.00256	2.9
155.59013	0.6
159.02940	1.2
161.04462	7.5
163.00174	0.5
175.03951	0.7
178.99748	0.8
179.05521	6.6
211.16963	1.7
242.99199	0.6
243.02940	2.5
255.02943	3.8
271.02466	8.5
271.05682	0.9
271.09839	1.0
271.19125	0.8
272.02740	0.8
299.99106	13.9
300.02750	14.4
300.99844	9.6
301.03513	13.4
302.00217	1.0
302.03726	1.1
310.52780	0.5
331.17612	0.7
358.06686	0.5
371.53711	0.5
373.12894	0.6
373.18066	0.4
373.22290	8.6
402.12827	0.5
403.14532	0.6
403.23264	1.9
433.03027	9.9
433.08371	3.9
433.15109	1.6
433.24411	24.7
434.04398	1.7
434.24707	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01246	4.9
61.68084	0.3
67.73621	0.4
71.29155	0.7
78.95771	72.2
87.23137	0.3
89.02274	0.3
96.96830	5.7
150.97928	1.9
152.99483	100.0
153.99835	1.4
171.00539	2.1
255.03035	0.8
271.02463	1.2
271.99936	0.5
279.23209	2.0
297.93854	0.4
299.99097	6.8
300.02750	1.9
300.99838	4.7
301.03479	1.2
340.23914	0.4
354.14206	0.4
433.03940	4.5
433.23611	12.4
434.04095	0.5
434.23889	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03315	0.4
58.22633	0.4
59.01250	100.0
60.01579	1.1
61.98678	0.6
69.15672	4.1
71.01248	5.5
72.99195	0.5
73.02828	1.2
83.01256	1.1
85.02829	1.9
89.02314	2.9
95.01256	0.8
99.00744	0.6
101.02322	3.9
107.01271	0.5
109.02869	1.0
111.73509	0.3
113.02334	1.9
119.03400	0.9
119.04887	0.3
123.00813	0.4
123.04428	0.5
125.02367	1.0
131.03413	1.5
139.00238	0.6
151.00342	1.1
161.04492	1.8
167.03488	0.8
169.01425	0.8
169.03006	0.4
174.03281	0.5
178.99802	0.7
187.04123	0.4
197.11848	0.4
197.23378	0.4
227.03366	0.5
240.04224	0.3
242.99409	0.4
243.02974	0.8
244.00291	0.5
253.14496	0.5
255.03032	1.4
271.02545	3.7
271.06152	1.3
271.09723	0.6
271.19177	0.8
271.99796	0.4
281.78378	0.3
299.99203	12.4
300.02826	4.9
300.99905	7.6
301.03571	5.7
301.16583	3.9
302.00345	0.6
302.03870	0.4
302.17096	0.5
373.13007	0.9
373.17877	0.4
433.03464	7.9
433.15475	0.8
433.20074	6.1
434.04568	1.0
434.21039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18616	0.5
59.01252	81.2
60.01601	1.1
63.02274	0.6
65.00215	1.2
69.91782	2.6
71.01256	3.3
73.02818	0.8
74.92290	0.4
80.00873	0.4
83.01261	1.3
85.02837	1.6
89.02347	1.4
93.03341	1.1
98.19887	0.7
101.02346	2.5
107.01283	2.8
107.04958	0.6
108.02077	1.6
109.02840	1.8
113.02309	0.7
114.69245	0.4
119.03394	0.8
121.02855	1.6
125.02356	0.8
135.00795	0.8
137.02338	0.8
143.04922	0.7
148.01585	1.9
151.00276	12.2
161.04449	1.3
163.00284	2.7
164.01028	0.9
165.37720	0.4
178.99802	6.1
183.08124	0.4
183.10207	1.3
185.06026	1.1
198.03148	0.5
199.03934	1.0
200.01010	0.5
203.03552	0.6
211.03996	1.6
213.01842	0.4
226.02740	1.5
227.03542	3.2
227.07063	5.2
229.01550	0.4
229.05038	0.9
243.02962	10.8
244.03442	1.0
245.04558	1.4
253.05090	1.8
254.02231	2.5
255.02977	25.7
256.03299	3.1
271.02493	57.4
271.05951	3.8
272.02921	6.6
273.03955	1.0
283.02600	1.5
299.02136	1.3
299.99191	11.3
300.02701	100.0
300.99911	13.4
301.03525	52.2
302.00339	1.3
302.03925	3.7
331.17786	1.7
373.18750	1.4
433.08020	41.1
434.08542	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34605	0.5
53.68128	0.5
57.13922	0.6
59.01249	100.0
60.01568	0.6
69.70663	4.0
71.01236	3.4
85.02819	1.4
89.02293	0.7
101.02352	1.7
113.02342	1.9
126.57581	0.6
161.04535	2.3
167.10754	1.6
181.04990	4.5
191.05484	0.6
193.32710	0.7
196.07362	3.0
211.09724	8.6
211.11655	0.7
212.10187	0.6
299.99301	1.5
301.00089	1.1
373.15359	1.2
414.21689	0.6
433.04205	1.3
433.13098	1.3
433.24927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69000	0.3
52.05819	0.2
53.45755	0.3
54.32027	0.3
57.03302	0.3
58.00493	0.3
59.01248	100.0
60.01582	1.0
63.02269	0.5
65.00185	1.3
71.01248	5.2
72.99184	0.4
73.02824	1.4
83.01261	1.1
85.02811	1.8
87.00765	0.8
89.02311	4.6
93.03339	0.5
95.01273	0.9
98.19737	0.5
99.00738	0.5
101.02316	3.7
107.01247	1.5
109.02866	0.4
113.02311	2.4
119.03409	1.8
119.04922	3.3
121.02818	0.4
123.04398	0.4
125.02327	0.6
128.16286	0.3
133.02866	0.6
135.02904	0.3
135.04399	0.4
143.03360	0.6
143.04929	0.3
144.76985	0.2
145.02864	0.6
149.02197	0.3
150.99219	0.2
151.00259	5.5
153.01749	0.4
161.02409	1.8
161.04422	1.7
163.03960	0.5
165.01814	0.7
172.01575	0.9
177.01839	0.4
179.05516	0.7
185.02347	0.5
185.05840	0.3
186.26764	0.3
187.03955	0.3
193.01370	0.3
200.01044	0.6
201.01807	0.5
216.00565	0.8
225.11266	0.3
227.07199	0.3
228.00557	0.6
229.01318	1.0
244.00026	1.4
245.00594	0.3
257.00848	0.8
271.02621	0.9
271.06110	10.1
271.99466	0.6
272.06494	1.0
282.98782	0.4
283.99524	0.6
285.13571	0.5
285.16870	0.5
299.99091	28.5
300.99838	21.7
301.02594	0.5
302.00217	1.8
313.07220	1.8
331.17639	0.5
343.07941	0.5
433.04062	20.6
433.10919	1.7
433.16675	1.3
433.24542	2.5
433.30585	0.5
434.04422	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1502
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
59.01254	0.9
63.02264	0.4
65.00185	1.4
68.99694	0.2
71.01257	0.2
78.77726	0.1
79.00896	0.1
89.00192	0.3
91.01759	0.3
93.03362	0.2
95.01241	1.0
95.04903	0.2
96.02083	0.2
97.02837	0.9
108.02035	0.3
109.02834	0.3
111.00751	0.2
113.02340	0.2
121.02861	0.8
123.00758	1.5
124.01547	18.4
125.01859	0.2
136.01596	0.2
137.02345	1.1
139.00250	0.6
139.03903	7.3
140.04213	0.2
145.02789	0.2
148.01567	0.2
149.99510	0.4
151.00255	0.8
151.03888	0.2
152.01053	53.1
153.01357	1.7
165.01843	4.3
165.58911	0.1
166.02324	0.3
173.06012	0.1
174.78413	0.1
176.01128	0.2
178.99753	0.2
179.03452	0.4
181.05029	0.2
183.02867	0.2
184.00026	0.2
191.03259	0.1
195.08078	2.5
200.01086	0.2
210.06790	0.2
216.00589	0.3
227.10707	1.6
228.00517	0.2
238.06448	0.2
239.07129	0.9
251.07062	0.2
253.08684	0.2
255.03018	0.6
255.10252	0.4
256.07379	8.1
257.07767	0.4
269.07971	0.7
270.08685	0.2
271.09732	100.0
271.47070	0.2
272.10074	7.9
282.99020	0.2
285.11420	0.2
295.09659	0.2
299.99100	6.8
300.02707	1.8
300.99817	4.5
301.03473	1.7
302.00439	0.3
313.10800	1.0
398.35419	0.1
433.03781	4.1
434.04294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.24667	0.5
59.01251	0.8
63.02252	0.8
65.00195	1.4
69.70929	3.0
83.01211	0.6
93.83250	0.5
107.01245	2.1
108.02068	0.8
109.02808	1.7
118.70875	0.5
121.02808	2.1
125.02361	0.7
135.00740	0.7
148.01575	1.3
151.00276	10.8
162.67442	0.5
163.00269	2.9
169.01402	0.6
178.99774	6.4
183.04517	0.6
187.03946	0.7
199.03818	0.6
211.03914	1.4
215.69250	0.7
226.02689	0.5
227.03368	2.7
228.03880	0.6
229.04971	0.8
243.02931	6.3
244.03426	0.7
245.04477	1.7
252.89462	0.5
254.02180	1.2
255.02965	18.7
256.03278	1.1
257.04541	0.5
271.02475	35.0
272.02957	3.6
273.03973	1.1
277.54858	0.5
283.02509	1.8
299.01962	1.4
300.02728	86.7
301.03497	100.0
302.03915	8.0
389.40231	0.5
433.07745	49.8
434.08105	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
57.03336	0.4
59.01247	8.5
61.98695	0.9
63.02264	2.7
65.00188	7.6
66.95605	0.4
71.00300	0.9
71.01244	4.4
72.99194	0.4
73.02827	1.0
83.01256	5.5
85.02814	1.4
87.00761	0.5
89.02306	2.7
93.03333	8.8
95.01247	0.6
95.04920	1.7
97.02835	0.6
99.32009	0.3
101.02334	2.8
107.00542	0.5
107.01272	12.9
108.02116	1.6
109.02808	2.3
113.02323	2.1
119.03439	1.3
119.04913	42.4
120.05260	1.7
121.02853	1.8
123.00771	0.5
125.02313	2.2
131.01241	0.6
135.04475	0.5
136.01544	0.8
136.03941	0.5
137.02345	0.7
143.04887	0.4
145.02843	1.3
148.01479	0.4
149.02356	0.6
151.00269	51.5
152.00717	2.4
153.01810	0.9
161.04509	0.9
161.05876	0.4
163.00275	1.2
164.01035	1.3
165.01857	2.4
169.01338	1.7
171.30919	0.4
173.05925	0.4
175.00255	1.7
175.04071	0.4
177.01833	6.5
178.02205	0.6
178.99806	2.0
179.03326	0.5
179.05510	0.6
181.08611	1.9
183.10112	0.9
185.06006	0.6
187.03946	1.0
187.05658	0.4
189.01787	0.4
193.01344	1.1
199.03784	0.4
200.01085	0.5
201.01820	0.4
211.03860	0.7
214.02676	0.3
216.00690	0.5
219.02629	0.4
226.02771	0.4
227.03435	1.0
227.07124	2.0
228.00562	0.8
229.05002	0.5
243.02893	2.7
244.00021	0.9
244.03333	0.4
245.04388	0.5
251.11371	0.7
253.05087	0.8
255.02934	7.4
256.03366	0.5
257.04712	0.5
271.02563	14.0
271.06082	100.0
271.19135	1.2
271.99796	0.3
272.02908	1.7
272.06421	7.5
283.02438	0.6
295.06152	1.5
299.99072	21.5
300.02725	24.0
300.99808	14.5
301.03482	21.5
302.00415	0.7
302.03802	1.8
311.05365	0.4
313.07373	1.7
433.03955	9.9
433.08246	4.5
433.24274	3.3
434.03809	0.6
434.10541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59286	0.2
59.01248	4.8
63.02231	0.5
64.37067	0.2
65.00186	1.0
65.78564	0.2
69.38347	1.5
71.01212	0.3
83.01226	0.8
86.43079	0.2
89.02309	0.3
98.19869	0.4
101.02263	0.3
107.01265	2.6
108.02054	1.3
109.02830	1.1
119.01255	0.4
121.02833	1.9
124.01519	0.4
125.02296	0.3
135.00789	0.8
137.02264	0.2
148.01564	1.5
151.00264	10.2
152.00687	0.2
153.01855	0.3
159.04356	0.3
163.00285	3.2
163.03877	0.2
164.00995	0.7
165.01790	0.2
169.01341	0.5
171.04323	0.3
174.03127	0.2
175.03871	0.3
178.98204	0.4
178.99774	6.1
180.00180	0.3
183.04346	0.3
185.05908	0.2
187.03914	0.5
190.99826	0.4
192.00543	0.4
193.01347	0.3
198.03094	0.4
199.03911	1.0
201.01834	0.2
201.05432	0.4
203.03401	0.3
211.03926	1.0
215.03442	0.8
216.04208	0.7
216.72084	0.2
226.02657	2.3
227.03436	2.9
228.03937	0.5
229.01357	0.2
229.04964	0.8
239.03401	0.4
243.02946	11.6
243.90446	0.2
244.03491	1.1
245.04462	1.2
254.02209	2.9
255.02951	24.3
256.03366	1.8
257.04535	0.2
271.02457	59.5
272.02896	5.8
273.03934	1.1
283.02414	1.3
299.02005	1.8
300.02704	100.0
301.03439	61.0
302.00626	0.2
302.03842	4.9
311.34299	0.2
433.07800	60.0
434.08151	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	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61121	0.2
59.01253	4.5
61.98703	0.6
71.01265	2.5
71.50260	0.3
71.50649	0.3
72.99203	0.3
73.02816	0.7
75.00752	0.5
79.18839	0.2
80.63615	0.3
85.02821	0.5
87.00718	0.3
89.02319	2.4
93.03363	0.3
96.95863	0.3
99.00765	1.2
101.02325	1.7
105.18435	0.2
108.02052	7.1
113.02344	1.0
117.76764	0.3
119.03384	0.6
121.02920	0.4
125.02356	2.1
126.02676	0.7
131.03439	0.4
138.01871	100.0
139.02217	3.4
139.60172	0.3
143.03442	0.3
149.02243	0.2
149.04445	0.7
149.99545	0.4
151.03931	0.4
161.04478	0.6
168.00500	0.6
169.01320	1.3
170.01640	0.8
179.05515	0.7
180.02922	1.3
191.05629	0.7
199.03900	0.3
233.60913	0.3
272.30286	0.3
293.22885	0.3
299.99121	3.5
300.99866	2.1
432.11429	4.5
433.03934	2.0
433.12210	0.5
433.23892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.3
60.20076	0.6
61.98702	100.0
71.01238	0.6
71.51686	0.8
92.10622	0.7
112.29271	0.6
113.02339	0.7
151.00195	0.9
172.01628	0.8
184.25858	0.7
197.11795	0.6
201.68639	0.6
228.00609	0.6
229.01709	0.7
244.00124	1.0
255.02985	2.1
271.02451	3.6
299.99191	25.7
300.02774	6.3
300.99973	17.8
301.03568	5.7
433.03812	22.5
433.21884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0411
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.32441	0.4
64.90860	0.4
69.39194	1.7
69.39618	2.1
98.20524	0.7
103.01616	0.4
108.30666	0.5
132.02098	0.6
160.01558	1.2
172.01532	2.7
173.02269	0.6
185.02339	1.3
188.01016	0.9
200.01079	3.9
201.01886	1.0
216.00565	3.5
217.01082	0.6
226.99826	0.7
228.00578	2.1
229.01311	2.5
242.99361	2.3
244.00076	4.9
245.00742	1.3
247.96797	0.5
257.00909	1.4
258.01346	0.6
270.98886	0.8
271.99585	2.8
282.98895	2.2
283.99612	1.4
298.98254	1.8
299.99103	100.0
300.99838	58.7
301.03409	1.0
302.00320	4.2
376.57285	0.4
433.04099	86.7
434.04410	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	431.2198
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.17335	0.2
59.01248	2.8
62.02358	0.2
62.56407	0.2
62.96277	0.3
68.52708	0.2
70.88757	0.4
71.01228	0.3
73.02840	0.2
77.20908	0.2
78.95774	52.9
96.96838	6.3
113.02354	0.3
121.14334	0.2
138.03136	0.9
150.97932	2.1
152.99487	100.0
153.05498	0.7
153.99852	1.7
161.04488	0.3
165.01845	0.5
171.00557	3.8
186.99591	0.2
213.43462	0.2
226.49695	0.2
251.11462	0.2
277.21826	0.8
431.21817	5.1
431.30328	0.3
432.23599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
54.57894	0.8
58.04684	0.7
59.01249	25.7
61.98676	0.8
71.01250	3.0
78.95778	2.0
95.01250	1.6
101.02310	1.6
108.02056	2.1
109.02814	3.6
124.01531	1.2
125.36924	0.8
136.01582	0.8
137.02353	1.5
138.02051	1.7
138.03123	33.7
139.03888	2.2
143.87794	0.8
151.03934	1.0
152.99445	1.7
153.05484	32.8
154.05852	1.8
161.02370	1.0
161.04474	1.3
163.00189	1.1
164.22980	0.9
165.01837	5.2
166.02658	2.0
167.02170	0.9
167.03384	4.3
177.01865	1.2
181.04973	5.4
189.01811	1.6
190.02704	1.2
192.00739	0.8
193.01353	1.5
195.02934	4.1
195.06503	2.1
204.04294	1.4
208.84828	0.9
209.04410	0.8
219.06622	2.7
219.17500	1.1
229.52249	0.9
247.16983	2.5
265.18127	1.8
298.05173	0.8
354.65646	0.9
371.21146	0.8
381.20499	1.7
383.18573	2.2
384.19205	2.3
395.22427	1.7
399.21698	16.8
400.21802	2.2
401.23590	1.2
413.23447	2.9
431.24365	100.0
432.24713	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.3
57.03323	6.7
58.00455	1.3
59.01252	95.2
65.73254	1.1
69.03295	4.0
69.41872	8.7
71.00909	1.6
71.01252	21.3
71.04875	2.4
72.99154	2.7
73.02817	7.6
83.01248	2.6
83.04864	1.9
85.02378	1.0
85.02828	16.2
87.00746	2.3
87.04387	1.7
89.01846	1.1
89.02322	11.1
93.03306	1.7
97.06439	1.4
99.00734	1.4
99.04398	6.3
101.02319	10.4
103.03901	16.1
107.04881	1.3
109.06431	3.8
111.08028	1.5
113.02324	6.5
113.02962	1.0
119.03345	3.7
121.06505	1.0
123.07970	1.5
125.02246	1.3
127.07476	2.7
130.51970	1.0
134.03592	1.3
135.02850	1.1
135.65082	1.1
137.05919	3.8
139.11104	3.6
143.03342	1.0
155.06975	2.6
161.04388	4.9
163.07451	1.6
165.12740	6.3
167.92897	1.3
173.04416	1.6
174.06758	1.1
179.05464	2.2
183.10147	8.4
184.38199	1.1
187.07489	3.1
189.12685	1.7
197.11635	3.0
206.51666	1.3
207.12134	1.5
207.13864	25.8
208.14183	1.4
209.11803	12.0
210.11876	1.5
218.53381	1.4
223.13225	1.6
225.11287	6.0
225.14771	2.5
227.03316	3.5
231.06311	1.9
231.10199	1.7
251.12863	15.0
255.02803	3.9
265.09125	5.0
269.13956	100.0
269.16940	3.5
270.14331	8.3
284.03055	3.9
285.03839	4.2
293.13922	1.7
297.28683	1.2
311.14941	5.9
341.16071	6.3
344.99390	1.6
345.26379	1.2
371.17026	11.7
372.12131	1.1
431.09369	3.3
431.18820	48.2
432.18771	5.2
436.14801	1.1
444.69180	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.3
58.00474	7.6
59.01248	100.0
61.80749	3.4
61.98702	9.0
69.81415	9.1
69.81825	8.4
70.33900	2.9
70.65330	3.2
71.01255	82.1
72.99178	12.1
73.02818	6.5
75.00738	6.5
83.01256	3.5
85.02830	13.7
87.00747	8.3
89.02319	98.7
95.01269	4.3
99.00768	6.1
101.02325	41.7
101.41778	3.2
101.83572	3.3
107.03349	4.1
109.02858	6.4
113.02337	32.4
119.03387	38.4
120.99589	4.0
121.02850	3.2
123.00735	5.5
123.04430	3.8
125.02338	34.2
131.03374	4.1
135.02867	6.0
135.04372	5.0
137.02391	6.2
143.03409	10.7
149.99480	5.1
151.03893	4.7
160.03894	4.8
161.02394	9.0
161.04448	22.1
168.00557	12.2
169.01295	32.4
171.54018	4.0
173.04526	3.7
177.01973	4.0
179.05536	67.1
183.02844	6.9
221.09688	7.4
222.31233	3.7
225.04062	5.3
225.06097	7.3
253.13544	7.7
279.84378	3.7
283.15225	4.1
289.79987	3.7
297.12427	16.1
355.13083	26.8
399.11868	15.5
400.12048	4.9
431.15106	74.5
432.14972	7.4
441.33209	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	431.0982
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03291	0.3
59.01247	11.6
63.02254	0.7
65.00187	0.5
69.43449	2.8
73.02827	0.6
77.17639	0.4
83.01237	0.6
85.02813	0.8
89.02326	1.7
93.03336	2.0
98.20513	0.7
101.02325	1.5
107.01263	1.5
109.02840	0.8
113.02328	0.7
125.02300	0.6
132.02077	0.9
133.02832	0.4
135.00772	1.7
143.04900	1.1
143.92114	0.4
151.00246	1.0
157.06419	0.8
159.04395	1.1
163.00308	2.8
165.01863	0.5
167.04945	0.6
169.06474	0.8
171.04416	0.8
174.03069	0.5
183.04410	1.4
185.02377	0.6
185.05945	2.0
187.03960	2.8
189.05464	0.8
197.06017	0.9
199.03891	1.2
200.04887	0.4
201.05521	0.7
211.03906	3.8
212.04677	0.5
213.05420	1.9
215.03430	0.4
227.03442	52.1
228.03818	3.1
229.05005	10.4
230.05266	0.6
239.03467	2.2
240.04102	1.0
241.05066	1.2
243.02928	0.5
255.02963	78.0
256.03549	9.1
257.04504	7.4
267.02924	1.1
269.04593	0.4
269.13943	3.0
269.17340	0.4
284.03247	65.2
285.04010	100.0
286.04352	7.0
289.13828	0.4
327.05063	0.6
431.09814	51.6
431.22571	1.5
432.10147	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	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20848	1.0
53.43875	1.1
57.98780	1.1
58.71106	1.1
59.01249	100.0
61.77974	1.0
61.98692	1.8
63.02679	1.0
64.82067	1.1
67.52294	1.1
71.01250	9.2
72.99163	1.4
73.02808	3.1
75.00735	1.4
83.01289	2.1
85.02798	2.7
87.00745	1.6
89.02307	5.3
93.03342	1.6
95.01267	1.6
99.68848	1.2
101.02314	9.0
113.02320	3.2
119.03470	1.5
123.00817	1.1
125.02334	16.4
135.04417	2.3
137.02335	3.8
138.01868	30.0
138.02905	2.4
138.05479	2.4
151.00310	1.2
151.03908	1.6
161.02298	3.2
161.04465	3.7
168.00621	1.9
169.01332	18.0
176.04749	2.8
179.03375	6.2
194.05785	4.3
209.08139	16.2
233.84579	1.3
239.05591	1.6
263.50333	1.0
269.10278	3.2
289.06790	1.3
299.11475	1.3
326.80075	1.2
353.06351	1.0
355.84839	1.4
371.13342	2.6
431.11276	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.3
57.03323	6.7
58.00455	1.3
59.01252	95.2
65.73254	1.1
69.03295	4.0
69.41872	8.7
71.00909	1.6
71.01252	21.3
71.04875	2.4
72.99154	2.7
73.02817	7.6
83.01248	2.6
83.04864	1.9
85.02378	1.0
85.02828	16.2
87.00746	2.3
87.04387	1.7
89.01846	1.1
89.02322	11.1
93.03306	1.7
97.06439	1.4
99.00734	1.4
99.04398	6.3
101.02319	10.4
103.03901	16.1
107.04881	1.3
109.06431	3.8
111.08028	1.5
113.02324	6.5
113.02962	1.0
119.03345	3.7
121.06505	1.0
123.07970	1.5
125.02246	1.3
127.07476	2.7
130.51970	1.0
134.03592	1.3
135.02850	1.1
135.65082	1.1
137.05919	3.8
139.11104	3.6
143.03342	1.0
155.06975	2.6
161.04388	4.9
163.07451	1.6
165.12740	6.3
167.92897	1.3
173.04416	1.6
174.06758	1.1
179.05464	2.2
183.10147	8.4
184.38199	1.1
187.07489	3.1
189.12685	1.7
197.11635	3.0
206.51666	1.3
207.12134	1.5
207.13864	25.8
208.14183	1.4
209.11803	12.0
210.11876	1.5
218.53381	1.4
223.13225	1.6
225.11287	6.0
225.14771	2.5
227.03316	3.5
231.06311	1.9
231.10199	1.7
251.12863	15.0
255.02803	3.9
265.09125	5.0
269.13956	100.0
269.16940	3.5
270.14331	8.3
284.03055	3.9
285.03839	4.2
293.13922	1.7
297.28683	1.2
311.14941	5.9
341.16071	6.3
344.99390	1.6
345.26379	1.2
371.17026	11.7
372.12131	1.1
431.09369	3.3
431.18820	48.2
432.18771	5.2
436.14801	1.1
444.69180	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	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.8
59.01249	12.2
65.00179	1.2
71.01255	6.3
71.41079	0.5
72.99168	3.3
73.02790	1.2
74.26660	0.5
75.00704	0.8
77.03835	2.7
79.01748	1.9
83.01233	1.3
85.02821	2.9
87.00712	1.1
89.02323	4.6
91.63380	0.6
93.03328	3.6
95.01255	0.8
96.95869	1.0
97.27308	0.6
98.20602	1.0
101.02322	4.9
102.98442	0.9
105.03304	0.9
107.01256	1.2
109.02875	0.9
113.02313	3.1
117.02594	0.8
117.03350	11.7
118.03709	0.6
118.35577	0.5
119.03365	1.3
119.04878	2.0
121.02840	4.2
123.00822	1.0
125.02305	1.7
131.03329	0.7
133.02829	0.8
135.02867	0.9
135.04420	4.3
137.02306	2.4
137.05989	3.5
143.03355	0.9
145.02823	0.9
149.02362	3.3
149.05960	1.4
151.00218	2.1
151.03857	1.1
159.03094	0.5
159.04398	2.9
161.02357	5.2
161.04440	2.1
163.00299	1.2
163.03914	4.5
165.01804	1.7
165.09073	0.9
169.01198	0.7
172.77263	0.5
173.04407	1.9
173.05862	0.9
177.01787	0.8
178.99788	0.9
179.03363	1.3
181.06335	0.6
183.04393	0.7
185.02386	1.2
191.03366	1.5
191.05457	1.8
193.01263	0.9
196.05133	0.6
197.06023	0.9
203.03490	1.3
205.12268	0.9
209.05986	0.9
211.07567	0.7
215.07018	1.3
221.09708	3.2
224.04640	1.1
225.05490	0.9
229.77849	0.6
239.07063	2.4
243.02931	0.7
253.05151	1.4
254.05876	0.9
258.80151	0.6
265.08691	1.1
268.03836	2.7
269.04584	5.3
269.17706	0.7
270.98874	1.5
271.02484	1.5
279.06491	0.7
281.04602	7.4
282.05270	4.4
283.06110	59.5
284.06442	4.8
293.04526	3.2
295.06009	3.4
297.97461	0.7
298.98322	1.5
299.99091	1.0
300.02707	1.4
301.03540	1.5
309.04092	1.2
309.07422	0.6
311.05597	100.0
312.05963	8.4
313.06870	0.6
314.04248	0.8
323.05505	5.6
327.08673	1.7
341.06647	18.1
342.06854	1.5
345.09851	1.2
353.06680	1.5
387.10794	0.5
413.08835	1.6
431.09842	57.0
431.22699	2.3
432.10101	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	430.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55342	0.9
57.03296	1.2
59.01246	8.5
63.02264	8.2
63.87329	1.0
65.00189	12.1
67.01768	1.0
69.03314	0.9
69.54186	1.5
69.54584	4.4
71.01265	5.0
73.02818	1.6
79.95607	35.2
81.03321	1.0
83.01254	10.7
85.02833	2.2
87.00776	0.8
89.02307	2.5
91.01788	1.2
93.03331	2.7
95.01260	2.8
95.95105	6.2
96.95885	100.0
97.02826	1.7
98.95406	0.9
99.00774	1.7
101.02310	3.0
105.03345	0.8
107.01272	22.5
109.02836	14.1
111.00745	5.2
112.95373	3.8
113.02321	2.3
117.03329	1.2
119.04925	1.6
119.12794	0.7
121.02843	3.6
123.00748	5.7
123.04399	2.0
124.01569	4.2
125.02325	15.4
126.02640	1.4
133.02837	1.7
135.00790	7.1
135.04376	2.2
136.01445	0.7
136.04732	1.1
137.02333	11.3
139.00285	8.3
139.03885	2.0
141.01865	1.2
143.04926	2.7
145.02763	1.4
146.03560	0.8
147.00763	1.2
147.04408	2.4
147.77153	0.8
148.01546	1.1
149.02333	4.2
149.05930	1.1
151.00278	61.2
152.01079	11.0
153.01852	16.1
155.04845	1.5
157.02792	1.1
158.03691	1.0
159.04422	3.4
161.02356	2.6
161.04480	1.6
161.05983	1.4
163.00278	10.0
163.03938	2.0
164.01076	10.2
165.01805	3.3
166.99770	2.6
168.00572	1.4
169.01344	9.6
171.04439	3.5
173.02310	1.9
174.03123	1.4
175.00168	1.9
175.03912	3.3
177.01855	3.3
178.99774	57.6
180.00198	3.3
181.01343	3.8
183.04430	1.4
187.03891	4.5
189.01822	2.2
189.05504	2.1
190.02643	2.7
190.99776	2.2
191.03407	4.1
191.05240	0.7
192.00540	2.2
193.01352	12.7
193.05019	1.2
194.99271	1.9
197.00810	2.8
199.03928	8.1
201.01842	1.7
201.05461	0.8
202.02658	0.8
203.03401	7.4
205.01332	3.1
205.05020	3.4
206.05295	1.7
206.99252	2.7
207.02875	1.5
207.99986	1.0
209.00845	3.6
212.04666	1.7
215.03421	7.2
217.01469	4.0
217.04982	4.1
218.02113	1.0
219.02893	4.5
225.05542	1.1
227.03534	3.9
229.01443	1.1
231.02928	7.1
232.03581	1.0
233.04518	8.9
234.01462	0.9
234.04974	1.5
241.05061	1.1
243.02921	15.1
245.00899	1.9
245.04449	6.0
246.05336	11.1
247.02492	4.8
255.02994	10.3
256.03497	1.1
259.02472	9.3
260.02899	1.2
260.97064	0.8
261.04074	5.7
262.04712	2.2
269.04498	2.0
270.99359	1.3
271.02444	27.1
272.03101	4.1
273.04062	4.9
287.01944	26.3
288.02475	2.4
289.03574	7.5
290.04184	3.9
298.98608	1.6
299.01871	15.6
300.02719	41.1
300.99988	1.0
301.03256	9.0
305.03122	1.7
315.01459	19.8
316.02191	21.8
317.02982	43.8
318.03302	3.2
325.03107	0.9
332.01761	0.9
333.02509	9.4
334.03210	3.2
351.03351	3.9
352.04370	1.0
358.70074	0.8
379.98239	1.4
380.98746	1.2
396.98843	2.3
430.14258	1.2
430.98874	1.9
431.15063	1.4
431.22974	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	430.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89481	1.2
59.01244	10.1
61.98701	100.0
69.22227	3.4
69.22645	10.1
71.01231	1.4
74.28865	1.2
85.02814	1.5
92.21310	1.5
98.20580	2.4
110.57487	1.2
115.81531	1.2
125.02310	3.4
135.60272	1.2
161.06036	1.3
187.03955	1.8
187.27777	1.3
192.00688	2.9
268.00610	1.2
274.02631	1.4
315.08719	5.0
358.10464	3.9
408.36392	1.6
430.08920	8.3
431.09918	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	430.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.3
61.98699	100.0
71.01249	0.7
71.49867	1.1
78.95766	0.6
104.88040	0.6
138.39738	0.5
143.40694	0.5
152.99484	1.3
153.05466	0.9
161.02248	0.5
219.49748	0.6
371.21341	0.6
388.90692	0.7
431.31708	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	1.0
61.98705	1.9
68.27695	0.9
71.01246	1.0
89.02303	1.5
91.03877	1.9
98.19859	2.1
121.58865	0.9
153.05534	1.3
174.95723	1.1
175.60608	0.9
277.21695	1.3
295.22787	12.4
297.27774	0.9
358.12411	0.9
371.80826	1.0
429.30142	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49718	0.6
59.01248	100.0
60.01561	0.8
61.98705	3.3
67.90331	0.8
69.53251	2.4
69.53677	2.4
70.15385	0.8
71.01298	0.7
75.27473	0.7
91.03893	1.6
114.99483	0.7
185.73654	0.7
185.75697	0.8
195.13899	0.8
277.21643	1.2
295.22723	11.4
343.32858	0.8
429.30429	2.3
430.30652	1.1
453.90540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3371
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
59.01247	1.6
71.01214	0.3
98.20607	0.5
121.25561	0.3
142.08588	0.3
312.53458	0.3
327.31668	0.2
414.32928	0.3
429.33701	100.0
430.34042	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.4
58.00475	0.5
59.01247	100.0
60.01586	1.1
69.31512	2.9
71.01250	12.2
72.99189	0.9
73.02821	1.3
83.01285	0.3
85.02816	1.8
87.00777	1.0
89.02316	16.9
93.03318	0.4
95.01264	0.6
99.00792	0.4
99.83014	0.3
101.02314	6.1
109.02850	0.5
113.02327	5.4
119.03384	6.2
131.03430	0.9
134.03621	2.2
135.02913	0.7
135.04408	0.6
137.09624	1.9
143.03369	1.6
149.04466	0.7
149.05984	0.4
151.03958	0.6
161.04446	2.3
179.05531	3.5
187.11189	0.5
223.13438	1.4
231.10280	0.5
267.12421	1.4
278.30893	0.3
297.13416	0.4
369.15552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20713	0.6
51.27693	0.6
52.04323	0.6
57.03324	1.1
58.00457	1.3
59.01247	100.0
60.01580	0.9
60.17860	0.6
71.01251	11.5
71.51723	1.0
72.99190	1.3
73.02819	1.4
75.00723	1.3
75.80704	0.6
83.01263	1.7
85.02837	2.5
87.00747	1.0
89.02311	13.7
89.02835	0.8
97.31599	0.8
99.00739	1.4
101.02319	13.2
101.19437	0.7
107.04853	0.8
113.02320	3.8
119.03374	8.4
125.02332	1.1
135.02956	0.9
137.02357	0.8
143.03389	0.8
145.80698	0.7
159.32626	0.7
161.04413	1.2
165.12686	1.0
179.05524	3.2
180.03580	0.6
191.05516	0.7
207.13826	4.9
209.09608	0.7
219.13945	1.3
223.13567	0.9
223.16959	1.0
231.13982	1.0
247.72165	0.8
249.15038	1.9
267.16129	2.0
283.99542	0.9
297.00671	0.7
297.04007	1.0
299.01584	0.9
299.98520	0.9
311.02020	0.8
323.99084	1.1
325.03616	2.0
345.62753	0.6
353.03241	2.5
361.88165	0.8
369.06201	1.0
370.50922	0.7
379.01831	0.7
397.05609	8.9
398.06329	1.3
410.22354	0.7
429.08176	18.2
429.20959	4.5
430.08691	2.7
430.21671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51312	0.3
55.01755	0.6
57.03326	0.6
58.00463	1.4
58.56107	0.3
59.01249	100.0
60.01588	1.2
62.29773	0.3
66.44088	0.3
69.03327	1.0
69.45647	0.9
69.46072	1.4
71.01253	22.4
72.99167	1.8
73.02818	2.1
83.01267	1.2
83.91962	0.3
85.02830	4.3
87.00730	1.9
89.02316	28.2
90.02666	0.4
93.03310	0.4
95.01279	1.1
96.95912	0.4
97.02798	0.4
97.06439	0.4
99.00757	1.7
101.02320	12.3
102.02598	0.3
103.00282	0.4
107.04911	0.6
109.02888	0.6
113.02325	8.9
119.03387	10.7
125.02356	0.4
131.03424	1.6
133.01331	0.4
134.03629	4.1
135.02875	1.1
135.04402	1.2
137.02432	0.4
143.03409	3.2
149.04478	1.3
149.27296	0.3
151.03970	0.4
157.20425	0.3
161.04453	4.6
161.09644	0.7
166.39017	0.3
176.04329	0.3
179.05544	6.6
185.00821	0.4
187.11240	1.1
189.09114	0.5
189.12798	0.7
205.12383	0.6
223.13330	5.9
224.13684	0.6
231.10332	1.3
249.11320	0.7
267.12344	6.7
268.12732	0.5
291.12589	0.5
293.10443	0.7
297.13425	4.8
297.16446	0.3
311.11139	0.5
339.14557	0.4
369.15521	1.1
429.17267	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	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00616	0.2
59.01236	0.6
70.05286	0.4
70.05679	0.7
90.16970	0.2
98.19872	0.3
99.92453	5.0
100.93237	3.0
104.59975	0.2
115.91960	100.0
116.91967	5.1
116.92751	6.2
117.92397	0.3
132.92247	1.0
172.95392	5.5
195.02167	0.2
255.23305	0.9
355.15891	0.5
381.17313	0.9
395.73627	0.2
417.69232	0.2
429.19421	4.4
430.19620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
58.00471	0.7
59.01248	100.0
60.01589	1.2
69.03314	0.6
69.32132	4.5
71.01250	15.2
72.99184	0.6
73.02812	1.0
74.79080	0.4
78.08671	0.5
83.01273	1.9
85.02834	2.4
87.00768	2.1
89.02319	19.3
95.01287	1.1
97.06383	0.6
101.02319	6.7
109.02848	1.4
113.02322	5.7
115.03928	0.5
119.03389	8.7
120.05737	0.6
120.99521	0.6
125.02330	0.6
131.03375	1.1
134.03636	4.7
135.04468	0.8
135.61073	0.5
143.03401	1.4
147.04417	0.9
149.04547	0.8
159.11728	0.5
161.04486	1.1
161.09657	1.4
161.13187	0.7
163.11136	0.8
179.05537	3.3
187.11256	2.3
203.10707	0.7
205.12329	1.2
207.10291	0.6
223.13336	7.4
229.86491	0.5
231.10220	1.0
249.11378	2.0
256.18817	0.5
267.12369	5.4
269.01065	0.8
299.99432	0.7
309.13416	0.6
333.56543	0.5
333.69858	0.6
339.14124	1.0
369.15472	3.4
429.17480	1.8
438.13446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.5
57.03281	1.6
59.01249	82.2
70.79338	3.9
71.01253	24.6
72.99165	1.7
73.02817	13.1
74.10661	1.9
74.30548	1.9
75.00717	1.9
82.35405	1.7
83.01241	8.7
85.02814	18.2
89.02316	4.2
93.54811	1.6
94.08975	1.8
95.01289	2.5
99.00755	6.4
101.02320	36.2
113.02345	14.9
113.38433	1.7
116.56254	1.6
131.03391	40.7
146.93303	1.6
153.22711	1.7
155.03629	1.7
159.02980	2.4
159.74323	1.6
161.04445	13.1
227.03178	1.8
235.11824	100.0
236.12166	5.1
290.94113	1.7
367.16016	28.2
398.28854	1.9
427.12781	4.1
447.53201	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01580	1.3
76.20673	0.5
91.03901	2.5
97.06514	0.7
171.10242	0.6
175.04056	0.6
187.11206	0.6
225.05527	5.1
226.02519	0.7
229.14626	0.6
275.20181	1.3
277.02338	0.5
289.05237	1.8
290.05374	0.7
293.21255	11.5
293.24466	1.0
294.21494	1.5
329.04712	1.7
330.05435	2.4
367.06097	0.9
381.07373	0.7
383.05453	0.8
399.08423	1.0
427.12302	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	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	2.0
57.03318	1.3
59.01248	71.9
70.98107	1.7
71.00904	1.4
71.01256	19.0
72.99182	1.5
73.02811	9.1
75.00774	1.3
83.01244	5.4
85.02816	15.1
85.06454	2.6
89.02293	3.5
95.01303	1.7
99.00758	4.4
101.02320	25.5
113.02334	8.6
131.03394	45.8
131.07002	13.3
132.03761	1.2
159.02939	1.8
161.04468	10.3
235.11818	100.0
236.12051	5.0
367.16043	23.0
368.16278	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
57.03338	1.2
58.00410	0.8
59.01251	14.3
64.87019	0.8
65.72192	0.6
69.28447	5.4
69.28853	1.5
71.01255	11.5
72.99155	1.0
73.02807	3.4
83.01250	1.5
85.02837	4.6
87.00764	1.4
89.02325	3.3
95.01302	0.8
96.95876	2.0
98.20628	1.5
98.95474	0.8
99.00797	1.2
100.15930	1.0
101.02332	6.4
113.02330	3.4
118.72346	0.7
119.03394	1.2
119.04884	0.8
121.02803	1.5
125.02367	0.9
131.04857	0.8
132.02061	16.9
133.02875	5.2
134.03633	19.7
135.04449	2.0
135.06473	0.9
137.02339	2.6
145.36491	0.8
147.04416	31.6
149.05998	2.5
151.03864	0.7
159.02927	0.7
160.01566	89.1
161.01929	4.0
161.04523	1.1
161.05959	5.4
174.12581	0.7
175.03918	100.0
176.04253	4.5
178.02596	0.8
179.03461	1.2
189.05516	2.5
193.04977	15.8
194.05205	0.7
219.13945	0.7
231.10173	2.2
265.05051	2.6
281.13992	2.6
309.04028	3.6
344.24304	0.7
367.14130	0.9
427.16043	81.3
428.16260	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	426.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77580	2.5
58.67046	2.4
59.01244	10.4
61.45631	2.1
61.98700	2.2
65.00198	13.2
66.95407	2.3
67.01765	4.3
68.99693	2.6
69.03333	3.2
71.01254	7.9
72.99178	3.7
73.02834	3.8
79.95618	17.3
81.03321	3.2
83.01219	2.6
85.02815	2.9
89.02312	4.4
91.01803	3.8
93.03360	4.7
96.95888	58.8
97.02824	15.0
98.20621	3.9
101.02319	4.9
107.01279	4.9
109.02836	42.0
109.99987	4.6
111.00779	6.6
121.02842	9.5
123.00784	10.3
124.01564	18.8
125.02357	18.2
133.01413	2.5
133.02808	3.4
134.03598	3.3
135.00723	7.6
135.02885	4.1
137.02304	17.1
139.00252	10.3
139.03896	28.3
139.07556	5.8
140.01064	13.2
145.02835	3.2
146.03577	2.7
147.00716	2.8
147.04460	2.9
148.01485	3.1
149.02324	10.3
149.05963	4.8
149.99529	5.8
151.00266	15.6
152.01016	2.8
153.01839	22.2
155.03424	3.8
158.03603	2.7
159.04402	5.7
160.01549	3.1
161.02374	7.6
163.00298	22.0
163.03844	2.3
164.01024	6.2
165.01849	59.9
165.98997	25.9
166.02164	4.5
166.99756	3.7
168.00497	3.8
171.04427	7.7
173.02383	5.3
174.03076	3.2
175.00240	5.8
175.03938	10.8
176.04633	3.5
178.99785	8.5
181.01335	25.0
181.98421	3.2
183.02895	9.8
187.03885	12.1
188.04668	7.7
189.01817	5.0
190.02608	11.7
190.99788	3.0
192.00543	4.2
193.01357	55.2
194.99228	3.9
198.03143	5.6
199.03943	7.0
201.01868	3.3
202.02577	7.6
203.03383	9.7
203.07060	6.1
204.04193	5.6
205.05025	9.2
205.12289	3.2
206.99208	3.5
207.02940	5.1
209.00861	19.9
213.01953	5.4
214.02626	6.1
215.03506	12.7
216.04201	8.4
217.01274	2.6
217.05028	3.9
219.06541	5.8
221.04576	3.6
223.06015	3.4
226.02647	3.0
227.03485	2.6
229.04796	2.5
229.22383	3.2
230.02132	6.5
231.02878	5.1
231.06554	4.0
231.10205	4.0
232.03719	10.7
237.00323	5.1
241.01341	2.9
242.02097	6.1
243.02870	9.2
244.03741	4.8
247.06087	9.7
249.11305	3.9
257.04538	3.9
258.01605	7.0
259.02444	8.4
259.05923	3.4
260.03247	4.1
270.01666	3.3
271.02408	25.1
273.04062	3.6
275.05576	32.7
276.05774	4.0
279.12274	4.8
285.03998	5.5
286.01132	11.7
286.04858	6.7
287.01926	16.0
288.02478	6.2
301.03506	21.2
303.01813	4.1
303.05090	23.9
304.05536	2.3
309.18719	2.5
314.00970	3.3
314.04172	13.6
315.01483	20.2
319.04550	7.9
329.02960	22.5
330.03125	2.6
332.01740	7.3
347.04065	100.0
348.04474	9.7
353.86407	2.5
426.99698	14.2
427.12219	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	426.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95324	2.7
52.52465	2.5
53.01592	3.0
54.53650	2.7
54.85806	2.6
59.01258	17.4
64.12032	2.9
65.00184	13.1
67.01761	5.0
69.44619	22.6
71.01237	7.1
73.02806	5.5
79.95602	7.9
81.03320	3.2
85.02845	3.7
91.01799	3.2
93.03363	3.9
95.01270	4.1
96.95887	79.8
97.02819	11.1
101.02314	3.2
107.01276	3.3
109.02836	21.2
111.00780	5.1
121.02842	9.5
123.00761	4.9
124.01525	8.3
125.02326	26.9
135.00769	6.8
135.04349	4.4
137.02364	8.3
139.00264	12.2
139.03932	13.9
147.04507	3.5
149.02345	6.6
149.99475	6.1
151.00281	6.8
152.01067	3.3
153.01831	56.8
160.05159	4.3
161.02350	5.5
163.00272	9.4
165.00516	4.4
165.01849	77.3
165.98958	7.6
166.02180	3.5
167.03391	5.4
173.02338	3.3
175.00291	7.7
175.03882	3.1
177.98918	6.5
178.99747	8.3
181.01382	7.2
186.03081	3.6
187.03940	8.3
188.04686	9.1
189.01910	6.8
190.99826	3.5
192.00504	8.0
193.01346	49.5
198.03113	6.2
199.03963	3.0
201.01926	3.4
203.03377	3.5
204.04117	7.2
207.02914	10.0
209.00821	5.5
213.01926	4.4
214.02623	11.9
215.03342	9.7
216.04164	5.6
217.01399	3.6
217.05002	7.1
219.06557	14.3
220.07271	3.3
223.02359	3.5
229.01462	5.2
230.02124	5.4
231.02820	7.9
232.03677	10.7
241.01407	5.6
242.02180	16.5
243.02805	9.5
244.03694	16.0
245.00801	5.0
247.06076	41.3
257.04495	6.4
258.01691	10.9
259.02448	4.1
259.06143	10.1
261.03973	9.0
264.04077	4.0
270.01587	4.6
271.02463	20.8
272.03247	3.0
273.04013	11.7
275.05618	45.5
285.03995	19.8
286.01157	11.1
287.01776	6.7
299.01886	18.5
300.02658	11.8
301.03464	25.9
303.04974	32.2
304.05457	4.6
314.04315	33.1
315.01563	8.5
319.04446	10.9
329.03012	38.8
330.03687	5.5
347.04041	100.0
347.08176	6.1
348.04294	8.7
355.19888	3.2
383.00253	3.0
426.99609	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	425.1507
Annotation	Daurioxoisoporphine A
Peak:m/z	Relative Intensity
59.01246	1.4
70.26074	1.0
70.26472	0.9
71.01225	0.4
92.04928	6.2
101.12331	0.5
116.04996	0.5
144.04478	0.8
145.02841	1.0
161.02345	2.7
172.05090	0.5
173.02348	1.6
174.03185	2.2
187.03918	1.6
187.24100	0.4
188.65375	0.4
192.08116	1.0
203.07370	2.5
204.08107	5.4
220.07622	5.8
222.09180	1.8
224.04570	0.5
233.04814	2.3
246.05702	0.4
247.06357	4.3
248.07138	67.4
249.07474	6.0
250.05060	2.8
250.88083	0.5
251.05807	7.7
252.06358	0.8
261.07938	0.9
262.08624	1.8
264.06760	1.4
265.07425	7.4
266.08212	100.0
267.08545	8.4
279.08978	5.5
280.09689	4.0
282.07617	0.6
299.99066	0.9
300.99866	0.9
315.33490	0.5
425.15079	41.2
426.15500	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	425.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.8
69.42621	1.6
69.43037	4.9
85.02859	0.8
139.11858	1.0
145.02843	12.4
146.03171	0.9
161.02321	2.9
163.03857	0.8
173.02345	33.7
174.02733	2.3
175.03918	3.6
187.03951	1.8
195.04401	1.4
199.03986	1.7
201.05571	1.0
211.03911	5.5
213.05508	1.5
224.04749	7.0
233.06030	1.2
237.05507	2.7
239.07057	3.9
248.04701	1.9
249.05583	4.9
250.06238	2.1
251.07062	8.0
259.07300	0.8
261.05530	1.2
263.07147	1.0
265.05054	3.5
266.05661	0.8
267.06619	2.8
277.08688	0.9
279.06540	1.8
299.99179	4.1
300.99832	2.7
311.07138	1.3
323.07086	1.3
324.08041	1.2
330.05322	1.6
335.07153	1.7
335.10904	1.4
336.07947	0.9
337.08670	1.3
338.05826	1.6
338.09586	1.2
339.06479	3.9
340.07321	0.9
347.07220	1.4
348.08069	1.5
350.05890	3.4
351.06412	3.7
351.10495	0.9
352.07263	3.8
353.08188	1.3
353.11862	1.5
354.05164	1.2
355.06192	1.6
361.08618	2.6
362.09357	1.5
363.06592	5.1
363.10416	2.0
364.07269	7.5
365.08093	5.6
366.05112	0.9
366.09137	4.3
367.06067	13.7
368.06686	6.5
369.07425	1.6
370.04816	2.9
378.05084	7.7
378.08893	1.6
379.05554	6.6
379.10229	6.7
380.06610	1.8
381.07126	8.3
381.11938	8.5
382.08163	7.4
383.05478	7.4
384.06363	1.2
389.08182	5.1
390.08792	1.7
391.06049	3.2
392.06897	11.0
393.07410	2.3
394.04874	1.1
395.05557	20.3
396.06296	22.7
397.06558	2.7
397.11096	5.9
398.07834	15.9
399.08276	2.3
407.09250	24.0
408.09625	4.9
409.07007	1.2
410.07956	4.1
423.32529	1.4
424.09702	1.4
425.10318	100.0
426.10718	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	425.091
Annotation	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Peak:m/z	Relative Intensity
59.01246	0.7
63.38290	0.2
69.51871	0.1
69.61469	1.0
71.01243	0.4
72.99155	0.2
73.02853	0.2
79.95605	8.5
80.96386	0.4
87.00710	0.2
89.02319	0.1
93.10340	0.1
96.95887	100.0
97.78529	0.1
97.95817	0.3
98.95480	0.6
98.96296	0.2
99.00809	0.2
108.02029	0.4
109.02865	0.3
110.97463	0.5
113.02340	0.3
120.99529	0.5
121.02852	0.3
122.03598	0.2
122.97486	0.2
123.00761	0.2
123.04427	0.3
124.01593	0.2
135.02922	0.4
135.04379	0.4
137.02350	1.0
141.95668	0.3
147.04454	0.3
149.02284	0.2
149.05972	0.2
150.03127	0.5
151.03845	0.2
163.03941	0.2
164.04666	0.4
165.05470	0.3
167.07106	0.3
177.05505	0.3
177.08937	0.1
179.07103	0.3
181.08638	0.2
193.08606	0.4
203.03456	0.2
209.08168	0.3
217.01196	0.1
221.08121	0.4
226.77655	0.1
227.03430	0.4
227.07059	0.3
240.04207	0.2
241.05003	0.3
244.00389	0.5
245.01237	0.7
255.06624	1.2
256.07336	0.2
258.09070	0.2
269.08127	0.9
271.99429	0.2
283.09662	0.3
286.08585	0.4
287.09174	0.2
298.98419	0.3
299.09207	0.5
299.99142	1.5
300.10037	3.6
300.99829	1.2
301.10690	1.6
311.09265	0.2
312.10010	0.2
315.12381	2.4
316.12613	0.3
324.81049	0.1
327.12280	0.4
330.11157	0.2
345.13330	1.6
346.13708	0.2
392.08249	0.2
425.09109	31.2
426.09451	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	425.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
61.98709	2.6
69.44808	0.4
71.01240	0.7
71.50204	0.6
73.02787	0.3
78.53284	0.3
84.98328	0.3
85.02802	0.4
89.02316	0.7
95.01201	0.4
96.95871	1.1
101.02266	0.4
108.02093	0.4
109.02804	0.3
111.00693	0.3
113.02271	0.6
117.67763	0.3
125.02350	0.5
132.02107	0.7
144.02083	0.4
145.02805	0.5
147.00807	0.5
147.04414	0.3
151.04022	0.3
160.01524	0.8
161.04414	0.4
172.01573	5.2
173.02362	0.7
175.00371	0.5
176.99104	0.4
185.02351	1.3
187.00307	0.7
188.01030	1.0
191.05434	0.5
196.05934	0.3
199.00291	0.8
200.01064	3.3
201.01822	1.6
204.00606	0.6
214.99750	0.8
216.00580	5.7
219.02837	0.4
226.99788	1.4
228.00572	6.5
229.01308	2.8
229.05183	0.4
242.99158	1.6
244.00085	6.6
245.00771	1.0
254.99352	1.0
257.00946	1.0
270.98822	8.5
271.99582	8.8
272.99988	0.8
275.01868	0.4
282.98795	5.2
283.99420	1.7
298.98309	24.3
299.99081	100.0
300.99829	69.0
302.00177	5.8
407.08008	0.3
425.01486	16.6
425.10410	0.7
426.01764	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
61.81965	0.6
68.82391	0.6
70.35816	1.9
78.95773	14.5
80.96410	0.7
83.42001	0.6
104.97411	1.0
110.98423	9.8
152.99493	1.1
163.11232	1.7
164.31590	0.6
167.01077	10.0
185.02136	3.0
247.16969	1.7
255.23262	100.0
256.23605	8.6
350.08746	0.6
422.67874	0.7
423.25021	17.2
424.25381	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	425.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
61.98677	1.1
69.92058	0.3
70.51459	0.9
70.92040	0.3
71.01238	0.7
73.02798	0.5
85.02805	0.5
94.70096	0.4
96.95893	0.7
101.02311	0.7
102.98426	0.4
104.02506	0.4
107.99310	0.3
113.02259	0.5
116.88293	0.3
125.02300	0.6
132.02034	1.1
137.58119	0.3
144.02058	0.6
145.02843	0.7
147.00717	0.4
148.01549	0.4
157.02863	0.6
159.81735	0.3
160.01559	0.8
160.04030	0.3
161.04457	0.4
172.01576	5.7
173.02242	1.1
173.07886	0.3
176.01027	0.3
185.02386	2.2
187.00217	0.8
188.01031	0.9
189.01816	0.4
199.00330	0.8
200.01074	2.4
201.01892	1.7
201.07439	0.4
214.99786	0.9
216.00549	5.1
217.01239	0.4
226.91818	0.3
226.99767	1.3
228.00595	5.5
229.01382	3.2
242.99219	1.9
244.00076	6.8
245.00819	1.4
251.98994	0.3
254.99268	0.9
257.00830	0.9
258.01248	0.4
270.98834	7.4
271.96564	0.5
271.99545	7.9
273.00125	0.5
282.98862	5.0
283.99619	2.5
289.06714	0.3
298.98328	21.4
299.92007	0.5
299.99094	90.5
300.99854	100.0
301.97025	0.2
302.00201	8.3
425.01520	11.5
425.13388	1.5
426.01831	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	423.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.8
57.03317	4.1
58.00463	0.9
59.01248	33.8
60.01591	0.4
62.24848	0.3
67.01759	0.4
68.99699	0.3
69.03322	1.4
71.01252	53.4
71.38387	0.3
71.38749	0.5
72.01591	0.5
72.99172	1.9
73.02816	26.4
74.03161	0.5
75.00753	1.5
76.73637	0.3
81.03329	0.6
83.01256	12.4
85.02822	28.4
85.37241	0.3
85.99955	1.3
86.03172	0.3
87.00741	3.3
89.02316	12.3
95.01264	3.3
96.95937	0.3
97.02834	2.5
99.00758	11.2
99.04401	0.4
101.02321	53.4
102.02656	1.1
111.00747	2.3
113.02326	22.0
114.02673	0.5
115.03902	1.9
119.03396	0.7
125.02328	3.0
127.11134	0.7
129.01804	1.3
129.12714	0.9
131.03384	3.4
141.01831	0.6
143.03374	2.5
143.10632	1.4
149.04468	1.9
149.05470	0.3
159.02898	3.8
161.04460	20.0
162.04744	0.7
173.11745	0.5
191.05501	0.9
199.13246	0.5
202.27473	0.3
205.03601	0.5
233.06577	2.9
291.18124	100.0
292.18475	8.1
293.08969	0.8
297.11710	0.4
335.17038	0.9
418.08246	0.4
423.22324	94.1
424.22662	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	423.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.3
57.03316	3.2
58.00466	1.8
59.01245	34.5
62.51517	0.2
68.99693	0.3
69.03323	0.6
69.39465	1.9
69.39866	0.4
71.01249	39.7
72.01581	0.4
72.99171	1.9
73.02817	17.7
73.89599	0.3
75.00755	0.8
75.67197	0.2
81.03320	0.4
83.00755	0.6
83.01251	10.5
85.02819	24.8
85.99940	1.8
87.00761	1.9
89.02312	5.5
95.01265	2.4
97.02831	1.5
98.20571	0.5
99.00753	8.0
99.01358	0.5
101.02317	50.8
101.59083	0.3
102.02662	1.0
111.00779	1.5
113.02322	16.7
114.02699	0.3
115.03859	0.3
119.03389	0.7
125.02349	1.2
129.01852	1.2
129.12735	0.4
131.03389	26.9
132.03741	0.5
141.01846	0.3
143.03406	2.6
143.10730	0.3
159.02898	4.0
161.04459	22.0
162.04825	0.8
199.13342	0.6
205.03467	0.6
286.44595	0.3
291.18121	100.0
292.18484	8.2
323.75790	0.3
335.17065	1.0
409.09576	0.4
423.00381	0.3
423.22351	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
55.26137	0.8
56.58457	0.8
58.00469	1.3
59.00959	1.8
59.01250	34.2
61.98703	2.2
71.01254	13.4
72.99192	0.9
73.02815	100.0
74.03164	1.7
83.01256	1.2
85.02814	3.1
89.02309	11.7
89.04281	0.8
95.01252	1.6
96.95891	4.6
101.02314	6.9
113.02335	4.9
119.03389	3.3
120.08924	0.8
120.99597	0.9
125.09608	14.8
125.78397	0.9
150.03134	3.0
165.05487	2.0
169.08607	8.1
181.12277	4.9
187.09647	8.7
188.09982	1.0
195.06491	1.7
199.11501	1.2
199.13332	22.5
200.13702	1.4
201.11253	6.7
208.94946	0.8
225.00668	3.3
225.11214	3.3
243.12331	82.4
244.12701	5.8
261.13394	17.9
303.14557	2.8
333.15637	1.6
363.16541	3.6
370.31940	1.0
423.12949	1.8
423.18674	37.3
424.18839	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.4
57.03081	0.6
57.03321	5.2
58.00462	2.0
59.01247	47.3
66.09497	0.4
69.02980	0.5
69.03333	2.4
70.78230	0.9
71.01250	80.1
72.01585	0.5
72.99179	3.8
73.02814	36.6
74.03145	0.9
75.00754	3.0
81.03348	1.2
83.01255	16.5
84.02021	0.7
85.02818	36.8
85.99963	1.9
86.03159	0.6
86.44574	0.5
87.00739	5.1
87.04405	0.7
89.01753	1.0
89.02310	19.1
93.03338	0.5
95.01263	5.8
96.95901	0.8
97.02819	4.3
99.00758	15.2
99.04406	1.2
99.24783	0.4
101.02319	75.6
102.02657	1.6
108.75079	0.4
111.00764	2.9
111.04403	0.6
113.02328	30.0
114.02642	0.6
115.03923	2.4
117.05462	1.4
119.03380	3.2
121.02837	0.5
123.04393	0.8
125.02323	4.2
127.11163	1.0
129.01810	1.8
129.12766	0.5
131.03395	3.6
133.02791	0.6
134.03622	1.1
135.04416	0.8
135.06523	10.1
139.00150	0.5
141.01855	0.5
143.03413	3.2
143.10681	19.5
144.11002	0.9
149.04416	1.4
157.12263	3.5
159.02901	5.9
161.04459	26.2
162.04735	0.8
167.10675	1.1
173.04472	0.8
173.11707	0.5
179.05519	1.1
185.11763	0.8
191.05524	1.1
193.01288	0.8
205.03503	1.3
233.06621	3.0
261.11255	2.5
275.09247	1.3
279.10736	2.7
291.18112	100.0
292.18491	7.4
293.08899	0.9
297.11877	19.2
298.12234	1.3
335.16968	0.7
343.04181	1.1
422.99817	3.4
423.22318	93.0
424.22662	11.2
437.26257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61331	0.6
57.03331	1.5
58.00459	1.2
59.01248	100.0
59.38007	0.6
60.01598	1.8
71.01250	9.2
71.04900	1.0
71.07309	1.3
72.99194	1.3
73.47073	0.7
75.00742	0.9
78.27808	0.6
83.01318	0.6
85.02827	3.5
87.00778	0.8
87.04386	54.7
88.04734	1.6
89.02319	10.2
95.01295	1.7
101.02324	8.0
113.02324	11.2
117.81602	0.6
118.10276	0.6
119.03392	7.6
123.08026	1.4
125.02325	0.8
136.66756	0.6
137.05959	1.9
139.07552	1.2
139.11172	9.3
140.11569	0.8
143.03381	1.5
150.05602	0.6
157.12259	1.7
161.04475	2.5
173.04750	0.6
179.05525	2.5
183.10191	2.1
196.33281	0.6
201.11250	82.1
202.11520	4.0
209.06375	0.6
215.12738	1.1
225.11261	9.8
226.11597	1.2
243.12233	2.4
255.12267	2.4
363.16776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.1
57.03308	0.7
58.00472	0.6
59.01252	20.2
69.84863	3.0
71.01254	12.3
72.99194	1.9
73.02818	68.6
74.03156	1.1
74.98979	0.7
75.00751	1.7
83.01253	0.7
85.02828	2.8
87.00745	1.2
89.02324	9.0
95.01276	0.9
96.95898	2.2
99.00777	0.6
99.04386	0.6
101.02335	5.6
109.02796	1.1
110.07114	1.3
113.02322	3.7
117.01819	0.6
119.03400	2.8
120.99549	4.6
125.09616	10.4
131.89659	0.6
135.04381	0.7
136.99037	0.7
137.02354	0.7
145.07562	0.7
150.05513	1.6
151.00249	0.9
153.01897	0.5
154.06169	1.5
157.08594	0.9
164.04761	0.8
169.08624	8.1
173.04478	0.8
177.01979	0.7
178.04996	0.8
179.05600	0.9
181.12219	4.1
182.12704	0.6
191.03484	0.8
199.13341	16.0
201.11285	0.8
205.04991	0.9
208.99014	1.0
223.06119	0.7
225.11240	1.9
243.12360	100.0
244.12662	6.3
261.04108	1.2
261.13406	1.7
265.07251	1.0
285.12518	1.2
297.00897	0.7
301.03226	0.6
325.09378	0.7
329.11502	1.0
373.10294	0.7
423.09827	1.0
423.18713	27.2
424.18997	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23346	0.4
65.36734	0.5
69.43797	3.8
75.12072	0.4
75.28275	0.4
94.14368	0.4
163.03903	2.8
173.02333	2.6
174.03098	1.6
201.01859	2.6
229.01370	0.7
232.03737	4.4
233.04530	0.9
254.99255	0.7
257.00833	1.3
260.03214	4.4
261.04013	4.5
269.98035	8.9
270.98328	0.5
282.98874	0.6
285.00403	11.3
286.00623	0.6
297.00687	0.6
297.97540	37.1
298.97894	2.3
299.01770	0.8
312.99890	65.4
314.00201	6.0
328.02234	70.8
329.02576	4.9
343.04572	100.0
344.04947	10.1
423.00153	4.0
439.11554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18067	1.2
51.51255	1.3
57.03309	3.2
57.20321	1.8
58.00477	1.5
59.01247	100.0
61.71716	1.3
67.46370	1.4
69.85167	5.7
69.85583	2.7
71.01252	13.0
72.55427	1.6
73.02802	2.8
75.00746	21.4
83.01230	1.4
83.17735	1.7
85.02802	12.4
86.03597	6.4
87.04364	4.1
89.02318	12.1
93.03316	3.0
95.04900	10.5
96.95872	3.0
98.19859	2.1
99.04405	1.9
101.02328	8.6
111.00779	2.6
111.59758	1.4
113.02354	8.2
119.03387	5.9
119.08511	2.8
121.06520	2.2
137.02290	1.8
137.05980	3.6
137.09612	4.2
146.08098	11.1
147.05775	1.6
155.10680	27.0
160.89281	1.5
161.04546	1.6
163.03867	2.0
165.05434	2.2
165.40100	1.5
173.04492	1.8
179.05562	2.2
181.08612	19.4
182.08841	1.9
190.02631	1.4
190.07231	1.6
199.09679	80.2
200.10023	4.9
205.04881	1.6
217.11865	2.0
217.99448	1.4
223.09712	10.7
237.06143	22.2
241.10760	5.9
259.11887	1.9
277.12238	14.1
377.52228	1.5
420.98282	2.6
421.12445	6.2
421.17108	23.7
421.24677	2.9
422.17398	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	419.1345
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
52.30915	0.2
57.03313	1.0
59.01237	1.0
59.12346	0.2
64.99892	0.3
65.00163	1.3
81.03333	5.3
81.03782	0.6
82.26419	0.3
83.01255	2.0
93.03322	0.3
98.19756	0.5
99.52651	0.3
107.01273	0.9
121.02836	0.3
122.03627	3.3
125.02332	8.5
126.02660	0.3
131.04906	0.6
139.03920	0.3
143.08542	0.3
147.08073	0.7
149.02327	1.0
149.05931	0.7
151.00291	2.3
153.06934	0.3
155.04982	0.4
156.05716	1.1
164.57381	0.3
166.02641	0.6
169.06488	1.7
171.08061	2.6
173.06012	4.1
195.08047	2.9
197.06084	0.4
211.07611	0.6
213.09149	15.0
214.09476	1.2
215.63716	0.3
227.16490	1.8
239.07092	6.8
240.07484	0.5
257.08163	100.0
258.05768	0.4
258.08493	9.0
281.08228	0.6
299.09088	0.8
304.17044	0.3
337.75293	0.3
419.13434	0.6
423.59143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	36.8
61.98717	10.0
69.23325	8.2
69.41506	84.6
71.01263	17.7
73.02815	13.8
81.34022	8.6
89.02323	11.8
101.02312	13.0
108.02029	30.4
109.02375	10.0
125.02273	11.0
136.99088	9.1
142.03561	9.3
151.03853	11.9
152.01042	25.0
152.15750	9.9
153.01572	9.6
164.04895	9.9
331.69730	10.3
381.35828	9.3
421.09924	27.0
421.16351	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07869	0.4
52.66171	0.4
59.01249	100.0
59.68884	0.5
60.01598	1.1
69.31264	3.9
69.31594	0.5
98.20541	0.7
101.02322	0.4
203.47990	0.4
211.35555	0.4
235.45776	0.4
336.84790	0.4
337.18640	0.4
440.37494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52928	0.1
59.01247	1.4
61.98700	100.0
62.11435	0.2
69.31843	1.3
69.32251	0.4
70.91985	0.2
71.01255	1.2
73.02803	0.3
75.00787	0.2
85.02838	0.5
87.00710	0.2
88.22167	0.2
89.02323	1.0
95.01289	0.2
98.02350	0.2
101.02316	0.4
113.02328	0.6
119.03397	0.4
123.04388	0.2
125.02335	0.2
128.05231	0.2
131.04945	0.3
135.04407	0.3
151.03868	0.2
161.04451	0.4
169.01335	0.2
174.03145	0.6
175.03915	6.7
176.04305	0.3
179.05527	0.5
198.06627	0.2
200.08492	0.2
241.07301	0.8
242.08055	0.4
284.19708	0.2
325.99396	0.2
359.11374	0.3
404.15082	0.2
418.17209	0.3
419.15491	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	419.0983
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
57.03336	0.3
58.00482	0.3
59.01250	3.5
60.01593	0.3
69.03341	0.4
69.48920	1.9
71.01254	1.9
73.02816	0.3
75.00739	1.0
78.95763	0.4
81.03323	1.0
85.02830	1.1
87.00762	0.3
89.02321	1.1
91.27512	0.2
93.03346	1.0
95.01264	0.9
99.00739	0.4
101.02311	0.9
107.01278	0.3
107.04887	0.3
108.02051	100.0
109.02887	13.3
110.03237	0.5
113.02347	0.6
119.03368	0.4
119.04893	0.2
120.99562	0.4
121.02850	4.7
122.03610	0.4
123.00767	0.6
123.04398	0.8
125.02354	0.6
125.60770	0.3
133.02873	1.1
135.00827	0.4
135.02898	1.2
135.04416	0.5
137.02422	0.6
144.73730	0.2
145.02859	0.3
151.03905	2.5
152.01054	54.6
153.01842	19.2
154.02132	0.7
155.10678	0.6
163.03917	1.8
165.01843	0.9
169.01344	0.4
173.04443	0.7
175.03920	0.7
177.01888	0.6
185.06042	0.4
187.03716	0.2
187.65443	0.3
190.06267	0.4
191.05490	1.3
191.07040	0.3
193.04854	0.3
195.03027	0.3
205.08658	0.4
207.02963	0.3
207.06377	0.3
213.05516	0.4
225.03954	0.5
257.08200	0.5
297.06110	0.6
299.09152	0.6
307.06198	0.3
332.04401	0.5
335.05676	1.0
365.00070	0.3
375.10635	0.3
389.16223	1.5
419.09805	62.6
420.10165	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
56.88614	0.4
57.03325	1.0
58.00465	1.6
59.01251	100.0
61.98705	8.2
71.01254	34.2
72.01595	0.6
72.99170	3.0
73.02824	4.4
75.00752	1.9
83.01270	2.5
85.02825	9.4
85.03304	0.8
86.03159	0.6
87.00771	2.0
89.02316	26.4
93.03336	0.8
95.01250	2.7
96.95905	0.8
97.02844	0.7
99.00787	1.8
101.02322	21.5
102.02636	0.8
109.02847	1.0
110.98138	0.6
113.02334	15.2
113.92838	0.5
119.03391	12.7
123.04398	2.4
125.02346	2.2
129.01886	0.7
131.03412	1.2
137.02380	1.1
139.00285	0.7
140.01010	0.6
143.03433	3.8
149.02379	0.6
149.04495	1.0
151.00298	0.6
154.31694	0.5
159.02908	1.5
161.04468	20.7
162.04831	0.8
169.01375	0.8
177.09126	5.0
179.05547	7.7
195.10223	2.3
202.02629	0.5
205.03455	1.1
276.89038	0.6
289.07309	0.6
290.00797	0.6
305.02972	0.9
357.15558	25.3
358.15860	2.4
417.13358	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59200	0.6
54.70280	0.7
55.01764	1.6
56.87964	0.6
57.03330	2.3
58.00478	1.1
59.01247	100.0
60.01597	0.8
61.98686	1.9
69.03342	0.7
69.85226	0.8
71.01248	33.5
71.37899	1.3
72.99161	0.7
73.02818	9.8
75.00739	1.3
75.55846	0.7
83.01258	4.3
85.02819	12.5
87.00761	2.4
89.02316	10.6
93.03339	4.3
95.01269	2.4
95.04900	1.4
96.95872	1.9
97.02839	1.0
98.95474	0.8
99.00755	4.7
101.02316	22.3
109.02806	0.9
111.08052	1.4
113.02328	14.4
113.03075	1.2
119.03410	2.9
123.04440	0.8
125.02332	1.8
129.89157	0.6
137.02312	4.7
139.07545	14.7
140.07906	0.8
143.03416	2.2
149.02391	0.9
159.02965	4.3
161.04454	44.4
162.04846	1.6
165.09149	1.6
177.01872	0.7
179.05623	1.7
181.08665	1.3
183.10240	1.1
195.10243	1.9
205.03416	1.4
247.81352	0.8
250.47763	0.8
251.07602	4.2
283.99567	4.9
335.03909	0.9
357.15515	21.0
358.16086	1.8
363.07190	0.7
417.04303	3.3
417.12448	1.5
417.17136	6.2
418.18124	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
57.03302	1.5
59.01248	100.0
60.01574	1.3
61.98697	3.3
69.28924	1.7
69.29333	7.0
71.01253	38.3
71.89545	0.9
72.99170	1.9
73.02819	9.4
75.00734	1.0
75.06808	0.9
83.01253	3.6
85.02829	17.8
87.00742	2.3
89.02317	13.8
93.03355	2.5
95.01251	2.9
95.04928	1.1
96.95922	1.4
97.02843	1.4
99.00738	3.9
101.02324	25.6
102.02623	1.0
111.08025	1.6
113.02328	17.0
119.03407	2.6
123.04423	2.3
125.02322	2.0
129.01816	1.3
137.02345	4.6
139.07541	19.2
143.03394	2.6
159.02924	4.4
160.24295	0.9
161.04462	45.5
162.04756	1.7
179.05539	1.3
181.08650	1.4
183.10115	1.5
195.10190	2.6
251.07668	2.9
255.12318	1.1
270.51645	0.9
283.99597	25.0
284.99854	2.4
302.74155	0.9
357.15469	20.3
358.15778	2.1
417.04651	12.8
417.10394	1.1
417.12653	1.4
417.17224	7.1
418.04974	1.4
418.17831	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	417.1191
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
57.03310	0.9
59.01252	6.7
66.52077	0.3
70.50011	0.3
71.01247	3.7
73.02811	1.2
76.62844	0.3
83.01251	0.5
85.02828	1.6
87.00735	0.5
87.04380	0.7
89.02313	2.2
99.00739	0.5
101.02330	2.2
109.02843	1.3
111.00754	0.4
113.02313	1.3
119.03381	0.6
120.99563	0.4
121.02821	0.3
121.99761	0.3
123.00716	0.4
125.02331	1.3
125.26240	0.3
131.13841	0.3
133.02921	0.4
135.04422	0.5
137.02339	1.1
137.88037	0.3
139.00296	0.4
139.30838	0.3
141.06995	0.4
149.05951	0.8
151.00276	0.7
152.06210	0.7
153.01872	0.6
159.02850	0.3
161.04488	1.0
165.01730	0.3
165.03990	0.8
165.07051	0.7
165.97227	0.7
166.02660	0.7
167.08574	4.5
169.06505	11.0
170.06818	0.8
179.03496	0.8
181.04968	1.2
182.03819	0.3
183.04514	0.4
183.10130	0.5
187.03867	0.4
191.70387	0.3
193.06546	0.6
193.10083	0.3
209.06052	0.7
209.15395	1.1
210.06622	0.4
211.07574	100.0
212.07904	8.3
223.16942	1.0
225.18587	0.7
227.03441	18.4
228.03780	1.5
229.04848	0.4
236.47466	0.3
237.05560	3.1
251.11623	0.4
255.02957	22.5
255.06522	1.8
255.10205	1.4
256.03519	3.3
257.04410	0.5
269.17587	4.7
274.23810	0.4
284.03247	18.8
285.03943	6.0
286.04486	0.7
295.05954	0.3
317.87988	0.3
329.03320	1.3
331.06110	0.3
357.19037	0.4
387.10916	0.8
402.12845	0.3
417.07819	14.9
417.11942	32.4
417.21091	2.5
417.25104	1.0
418.08237	2.0
418.13150	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	417.1189
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
51.46299	0.4
51.57242	0.4
57.03315	0.9
59.01251	7.8
65.00205	0.8
70.65947	0.4
70.91154	1.0
71.01262	2.6
73.02837	1.5
75.00755	0.9
81.03345	0.5
83.01245	0.5
85.02826	1.0
89.00208	1.2
89.02321	1.4
89.03847	0.7
91.01763	2.9
91.74173	0.4
93.03342	0.9
96.99198	7.7
101.02322	1.4
106.00487	0.9
108.02048	1.1
108.17039	0.4
108.57567	0.4
109.02853	2.6
111.00701	0.7
113.02318	1.0
117.03348	1.4
119.03416	0.5
120.99561	0.4
121.01969	0.6
121.02843	13.5
122.06005	0.5
123.00756	0.8
123.04398	4.9
124.01546	1.4
125.02336	1.0
134.03632	16.9
135.02921	0.5
135.04347	1.0
137.02364	3.8
139.00281	0.8
139.03928	1.2
144.89546	0.4
145.02856	2.7
146.03641	6.4
146.06000	1.2
147.03314	0.5
147.04427	3.7
148.01567	0.7
149.02356	11.7
149.05983	1.7
150.02864	0.6
151.03925	0.8
153.05472	6.1
158.03670	3.9
159.04425	8.1
160.01563	1.5
160.05029	0.6
161.02357	4.8
161.04500	0.8
161.05962	2.2
162.03130	4.0
163.03911	5.5
164.04684	8.0
165.05170	0.6
166.02705	0.5
172.03929	0.6
173.02374	2.2
173.04590	0.6
173.05983	3.8
174.03165	5.4
174.05521	0.6
175.03935	2.3
176.04723	4.6
177.05402	0.6
178.02647	2.2
179.06992	0.8
188.04698	2.9
189.05482	7.7
190.02603	1.2
191.03371	0.6
191.07101	1.7
193.01370	0.6
193.04993	6.8
193.06587	0.8
203.07080	2.4
204.06660	0.9
205.05055	0.7
208.03661	1.6
223.06076	3.8
229.13388	0.6
236.58005	0.5
237.05589	0.5
237.14815	0.5
253.05006	0.8
253.13547	0.9
254.05891	1.2
254.11861	0.5
255.11423	0.7
265.04965	1.6
267.07593	1.2
271.06143	1.6
279.06635	0.7
281.04611	3.7
282.05276	4.8
282.10269	0.7
283.05893	2.0
283.99750	0.7
284.06857	1.2
285.00403	1.0
286.08401	0.9
287.15134	0.7
293.04657	1.3
294.05453	0.7
295.09805	0.8
296.03717	0.7
296.06876	5.6
297.07608	6.1
297.12439	8.3
298.08328	1.9
298.12863	0.8
299.09259	4.8
300.09546	0.6
301.10965	1.7
307.05978	0.6
308.07019	0.6
309.04111	1.2
310.04813	4.6
310.08252	0.8
311.09222	11.0
312.09979	4.2
313.07568	0.5
313.10687	2.7
314.11630	1.9
323.05286	0.4
323.09747	0.6
324.06339	0.7
325.07172	13.0
325.10913	0.9
326.07513	1.6
339.08594	1.3
340.09537	7.6
341.11404	3.0
343.79446	0.5
355.07553	0.5
355.11871	8.7
356.12305	0.8
369.06174	1.7
371.11386	0.6
373.13739	2.9
374.13773	0.5
384.08530	1.2
399.10861	5.2
400.11038	0.6
417.11917	100.0
418.12238	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	417.0826
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
54.95299	0.8
55.01744	1.1
57.03317	1.7
59.01250	15.7
69.51554	0.7
71.01244	10.6
71.51206	0.9
72.99168	1.4
73.02814	7.3
75.00748	1.9
77.29833	0.9
81.42151	0.9
83.01250	1.9
85.02818	6.8
87.00748	2.5
87.04385	1.3
89.02319	7.3
93.03326	3.1
99.00736	1.6
101.02327	10.7
107.01260	1.0
107.04897	1.2
109.02828	2.9
113.02325	4.7
113.02968	0.8
119.03368	2.5
121.02845	1.3
125.02311	4.3
135.00755	1.6
135.04399	3.4
135.08047	2.0
137.02361	4.5
143.04918	1.0
145.02835	1.3
147.02872	1.0
149.37813	0.8
151.00259	2.4
153.09116	27.2
155.64388	0.9
159.02916	1.0
161.02344	1.0
161.04518	4.5
161.05710	0.8
163.00284	1.2
165.01854	1.1
166.02608	3.8
169.01353	0.9
172.99878	0.9
177.01860	3.4
179.03561	1.8
179.06996	1.4
181.05005	5.7
183.04449	2.0
187.03912	1.5
197.08005	1.5
199.03897	1.2
209.15428	1.8
211.03894	2.9
211.07433	1.1
218.33954	0.9
223.16974	1.8
227.03444	75.5
228.03743	4.5
229.04990	6.3
237.09633	6.9
239.03482	2.6
240.04173	1.2
241.04974	1.2
253.08885	1.0
255.02963	100.0
256.03464	13.2
257.04529	2.9
269.17517	3.7
284.03253	98.0
285.03995	88.3
286.04361	7.2
287.16910	1.5
323.05664	2.6
387.10693	1.6
402.12912	1.1
417.08258	87.1
417.16617	15.6
417.25281	2.0
418.08649	10.2
418.17609	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	415.2338
Annotation	Dendroside C
Peak:m/z	Relative Intensity
55.01756	4.6
56.65767	0.5
57.03318	4.7
58.00462	4.2
59.01247	86.8
60.01584	1.0
69.03335	0.9
71.01251	100.0
72.01602	2.4
72.99176	6.2
73.02815	19.7
75.00751	1.9
81.03333	0.6
83.01253	9.8
83.04906	1.7
84.02023	1.2
85.02821	31.5
85.99971	0.8
86.03162	1.2
86.09969	0.5
87.00748	9.6
89.02315	53.1
90.02674	1.2
95.01270	6.9
97.02833	1.5
98.20657	1.0
99.00758	8.8
101.02319	67.8
102.02670	1.4
103.03851	0.6
111.00749	1.0
113.02325	41.6
114.02691	1.0
119.03385	24.5
121.02844	4.2
125.02362	2.4
126.05190	0.5
129.01852	1.4
131.03397	9.7
142.06514	2.2
143.03397	4.8
143.06862	0.7
145.02824	1.5
149.04445	2.1
151.11176	0.7
157.05200	0.9
158.05959	0.6
159.02901	6.9
161.04465	32.7
162.04793	1.3
165.09164	1.1
175.14833	1.5
179.05507	4.8
180.05775	0.5
186.05528	1.9
187.05901	0.8
204.04265	0.5
205.03442	1.3
205.05121	0.6
207.08376	0.5
211.07600	1.9
217.15877	1.4
219.06578	0.9
221.06593	14.6
222.06906	0.6
225.05618	0.8
229.61671	0.6
235.16953	3.8
247.05038	0.8
253.05014	0.9
253.18080	5.3
285.15305	1.1
295.06180	0.7
297.17349	0.6
328.23880	0.5
355.17419	0.6
356.18408	0.8
371.11581	0.6
373.18439	3.2
374.19449	2.6
415.15060	1.0
415.23410	24.0
416.23608	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	415.3218
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
52.10867	0.3
53.69315	0.3
59.01234	1.0
59.55888	0.3
67.37801	0.3
71.01244	0.5
80.86034	0.3
84.84598	0.3
89.02313	0.3
95.01279	0.5
101.02282	0.4
108.02055	0.4
109.02818	1.2
119.73380	0.4
137.02327	1.4
138.03125	5.3
139.03862	0.9
153.05479	5.9
165.01860	4.0
166.02631	3.0
181.04799	0.3
279.19730	0.4
299.98999	0.3
334.24222	0.3
356.30933	0.5
357.17252	0.4
369.20688	0.3
385.20221	0.5
393.38004	0.3
415.24954	27.5
415.32114	100.0
416.25256	4.1
416.32465	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.6
57.03324	1.9
58.00470	4.7
59.01249	100.0
60.01583	1.2
61.90690	0.4
62.80835	0.4
68.46326	0.4
69.66446	2.6
71.01250	76.3
72.01587	1.3
72.99179	5.7
73.02817	7.9
75.00730	1.1
83.01258	5.3
85.02821	18.7
87.00747	3.9
89.02315	80.2
90.02656	1.0
95.01259	5.2
96.95921	0.9
97.02854	0.6
99.00761	3.1
101.02320	50.4
102.02675	1.2
102.98428	0.4
113.02326	31.8
114.02634	0.7
119.03384	40.3
120.03741	0.7
120.99505	0.6
125.02337	1.2
129.01817	0.4
131.03374	3.8
135.04445	0.5
139.00299	0.5
143.03392	6.7
149.04454	3.3
159.02911	1.9
161.04454	13.6
163.63008	0.4
165.03995	0.5
174.37192	0.4
179.05525	14.2
188.76413	0.4
199.91043	0.4
205.03499	0.5
223.13350	1.2
223.17110	0.5
234.72516	0.4
235.16942	0.9
253.18130	0.8
267.16083	0.5
415.18100	0.9
415.23395	12.9
415.28784	0.7
416.23880	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.1
57.03318	5.2
58.00467	4.2
59.01250	81.1
59.49311	0.4
60.01580	1.0
62.95385	0.4
63.02268	1.0
65.00188	1.1
69.03340	1.2
71.01254	100.0
71.04906	1.0
72.01585	1.4
72.99181	5.4
73.02820	21.4
75.00745	1.6
83.01255	10.4
84.02061	0.6
85.02824	38.4
86.03140	0.7
87.00738	4.9
88.65546	0.5
89.02317	56.5
90.02638	1.2
95.01254	6.4
97.02847	2.0
99.00761	8.7
101.02322	73.3
102.02674	2.0
107.01267	1.5
113.02332	43.4
114.02686	1.4
119.03394	23.8
125.02333	2.4
129.01849	1.1
131.03410	2.4
143.03404	6.6
143.04912	1.0
149.04454	1.9
151.00357	0.7
159.02908	8.0
161.04463	42.5
162.04779	0.9
165.06943	0.5
167.04895	0.5
179.05527	7.1
180.05721	0.8
181.06628	0.5
185.05983	1.0
205.03452	1.2
209.06062	3.0
223.16959	0.5
235.17032	0.6
253.05032	33.3
253.18088	6.8
254.05440	3.1
254.18423	0.5
285.15228	0.7
295.06049	0.7
299.99078	1.2
415.05981	0.4
415.10370	14.7
415.23312	21.0
416.10669	1.8
416.23767	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Dendroside C
Peak:m/z	Relative Intensity
55.01750	3.2
56.78215	0.7
57.03330	4.4
58.00466	4.6
59.01251	84.9
59.09557	0.7
60.01588	1.0
69.03313	1.1
71.01252	80.3
71.51956	0.8
72.01600	2.2
72.99176	7.3
73.02818	13.9
75.00735	2.5
82.69393	0.8
83.01259	8.6
83.04874	0.8
85.02827	22.9
87.00767	6.2
87.04372	1.3
89.02316	63.7
93.03336	1.2
94.87813	0.8
95.01261	6.0
97.02827	1.9
99.00754	5.5
101.02322	58.2
102.98461	2.0
104.98053	1.2
111.00749	1.6
113.02327	31.2
117.97984	0.7
119.03383	26.8
121.02831	1.4
125.02337	1.9
125.09589	1.2
129.01808	0.9
131.03372	3.1
135.04410	1.1
141.01729	1.0
143.03391	5.6
145.02957	0.9
146.00696	0.7
149.04436	2.0
151.03896	0.9
159.02917	3.2
161.04451	13.4
163.92638	0.8
165.09091	2.7
173.04497	1.5
177.05551	1.3
179.05542	8.6
191.05429	1.0
217.15933	1.4
232.02922	1.2
244.02696	1.3
251.16635	1.3
252.03795	1.0
253.14359	1.5
253.18105	8.6
254.18578	0.8
259.05084	1.0
267.10754	1.7
287.10745	0.9
297.17111	1.7
299.99115	1.3
325.03522	3.2
343.15536	2.5
371.14941	1.2
397.05838	1.1
397.22031	1.6
398.06680	1.2
415.06796	4.8
415.23340	100.0
416.23700	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	415.1608
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
50.14083	1.2
55.01755	6.2
57.03308	5.9
58.00459	2.8
59.01247	46.9
59.01542	3.0
68.49853	1.2
69.03299	2.2
71.01250	98.2
71.47307	1.2
71.50384	2.2
72.01554	1.6
72.99175	4.5
73.02815	37.9
75.00737	5.8
83.01247	13.5
84.02035	1.5
85.02303	2.2
85.02819	42.7
85.99947	1.5
87.00751	5.2
89.02317	26.5
93.03344	1.2
95.01273	7.2
96.95883	3.0
97.02859	6.1
99.00760	16.4
99.04347	1.8
101.02322	67.4
102.02691	1.3
106.76529	1.2
109.02823	3.5
111.00748	2.2
113.02335	35.8
115.03890	4.6
119.03377	3.0
123.04417	6.1
125.02325	7.3
129.01797	1.4
131.03400	5.9
133.37424	1.3
135.04353	2.5
143.03421	5.1
147.70509	1.3
149.04417	6.2
149.06082	1.8
149.09651	1.8
153.05467	8.5
154.97404	1.3
159.02853	7.2
161.04457	57.0
162.04800	3.1
191.05550	5.4
193.08638	2.0
205.03366	2.4
213.69250	1.4
233.06648	4.9
255.06686	1.6
283.11865	86.9
284.12192	6.0
293.08612	2.0
319.94882	1.7
371.07983	2.4
415.06766	3.7
415.16068	100.0
416.16345	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30120	1.4
52.72156	1.5
57.03319	1.5
58.09858	1.4
59.01243	13.5
69.03294	2.1
70.24555	5.2
71.01254	10.4
72.99180	2.5
73.02813	3.0
75.00720	2.3
81.03322	1.4
83.01262	2.6
83.54352	1.2
85.02805	9.3
86.19157	1.4
87.00747	2.2
89.02309	3.6
93.03321	4.3
95.01256	4.5
96.36417	1.2
99.00787	1.7
101.02304	5.4
108.02048	58.2
109.02838	46.0
113.02311	4.1
119.03458	1.6
120.64909	1.2
121.02852	9.1
123.00784	8.1
123.04419	1.7
125.02334	4.9
130.52663	1.2
135.02873	1.7
135.04427	4.6
137.02321	4.5
139.00217	1.9
146.01320	1.3
149.02361	3.2
151.00323	1.4
152.01048	61.2
153.01845	25.7
161.02357	2.3
163.03960	2.0
164.04735	2.0
165.01848	2.2
166.02641	1.4
169.01343	5.1
173.04507	1.8
175.03891	18.8
177.01863	1.4
179.03290	1.8
181.05069	1.6
190.02477	1.6
191.03691	2.0
191.05534	10.7
193.01245	1.8
193.04980	50.3
194.05344	2.1
205.05046	1.4
223.06000	3.1
237.47163	1.3
245.07921	1.3
273.71674	1.5
289.07236	1.3
315.07135	4.0
357.08237	10.2
371.12469	1.4
397.10635	2.0
415.12451	100.0
416.12744	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	415.1604
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01755	3.0
58.00470	2.5
59.01250	68.2
63.88428	1.7
71.01252	55.0
71.50957	3.6
72.10892	1.8
72.99189	4.0
73.02819	22.1
82.65517	1.9
83.01247	2.9
85.02824	13.9
89.02313	61.2
95.01264	6.7
99.00757	100.0
99.87320	1.8
101.02330	23.5
113.02321	45.5
119.03379	9.9
131.03401	13.8
143.03319	4.3
149.04468	48.1
161.02336	2.8
161.04469	21.6
173.02269	2.0
179.03799	1.7
179.05502	5.1
189.01810	2.2
191.03679	3.5
191.05537	46.6
233.06578	6.2
293.08932	1.9
300.02695	1.9
351.64078	2.0
382.08047	2.5
397.08032	3.2
415.07834	3.3
415.15939	21.5
416.16367	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80367	4.9
59.01249	100.0
115.83405	5.7
165.29262	5.6
168.86655	5.5
251.77380	6.6
292.97592	6.3
320.97980	6.4
413.23297	12.6
413.30566	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	414.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01252	7.9
64.55299	0.6
65.95049	0.8
71.01254	5.3
73.02792	0.9
78.83897	0.8
81.03271	0.7
83.04908	0.7
85.02827	6.9
87.00773	1.0
89.02309	2.6
90.50216	0.6
93.03331	6.7
98.20531	1.2
101.02323	2.8
111.04421	3.0
113.02312	0.9
119.02348	0.6
119.03387	1.5
121.02837	1.0
123.26598	0.6
127.03907	1.0
137.02313	0.8
138.09935	0.7
155.03416	2.8
161.04361	0.8
171.02943	0.9
173.04465	6.2
190.16843	0.6
191.05542	37.8
192.05861	2.5
209.52693	1.2
215.04202	15.3
215.54349	4.0
216.03008	1.3
223.54260	1.3
224.04735	100.0
224.54903	22.6
225.05031	1.5
245.05252	5.9
245.55544	1.4
246.04132	4.4
251.16496	5.3
252.16833	7.0
314.05856	1.2
324.06543	3.0
324.56705	0.9
327.06647	1.0
333.06863	4.7
333.57114	1.3
401.08029	1.0
402.08710	1.8
403.09546	3.1
405.07776	1.1
419.09409	1.2
429.07932	0.9
430.08221	3.3
431.09207	10.8
432.09576	2.0
433.07138	13.5
434.07559	3.3
435.08255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99580	0.6
59.01249	6.2
65.03812	0.6
69.40593	4.8
71.01244	4.6
72.99161	1.1
73.02809	1.3
78.76925	0.6
81.03297	1.3
83.01260	1.1
85.02826	4.6
87.96282	0.6
89.02296	0.8
93.03338	0.8
95.01260	3.4
101.02322	2.2
108.02048	67.9
109.02844	57.3
110.03156	1.5
113.02283	1.8
117.05409	1.2
119.04774	0.8
121.02819	1.3
123.00771	2.7
123.04336	0.8
132.96466	0.6
151.03880	1.4
152.01051	78.3
153.01837	27.2
154.02136	1.1
163.03888	1.8
165.01811	1.4
297.06241	1.1
315.07074	3.9
357.08228	11.4
358.08524	1.2
397.11212	5.1
415.12418	100.0
416.12683	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	413.2181
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01748	2.1
57.03305	1.9
57.53579	0.4
58.00467	3.2
59.01251	47.3
60.01587	0.7
69.82020	1.1
69.82442	1.8
71.01250	29.4
71.67072	0.5
72.99174	2.8
73.02814	4.2
75.00765	0.5
83.01256	3.5
84.83656	0.5
85.02823	9.1
85.99953	0.9
87.00748	1.6
89.01762	1.0
89.02313	20.9
95.01266	3.2
97.02840	0.8
99.00751	1.9
101.02318	24.8
102.98466	1.4
111.00724	0.5
113.02322	11.0
119.02589	0.7
119.03389	10.0
131.03316	0.5
137.09689	0.5
143.03400	0.9
149.04486	0.5
161.04482	2.3
173.04347	0.5
179.05502	0.8
183.91614	0.4
189.16377	1.6
193.15831	2.3
203.14413	0.6
223.16975	0.8
224.04765	2.1
233.15417	12.0
234.15817	0.5
251.16510	19.7
252.16890	1.1
331.61716	0.4
359.27246	0.5
364.12546	0.4
413.21780	100.0
414.16928	0.9
414.22162	10.7
414.27722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
62.16099	1.5
65.32455	1.5
84.31197	1.3
89.02335	1.9
139.46315	1.5
157.65199	1.4
229.35037	2.3
236.90820	1.8
244.77686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
50.28030	0.6
52.95984	0.6
54.15689	0.7
55.01757	7.1
57.03321	5.0
57.17433	0.7
58.00464	2.4
59.01248	87.7
59.51792	0.6
63.65924	0.6
64.03428	0.6
67.01746	1.0
69.03316	1.0
69.45045	3.7
69.45453	1.4
71.01249	100.0
72.99181	3.1
73.02815	31.6
75.00748	2.0
81.03342	0.7
83.01257	15.4
84.02066	1.1
85.02821	48.7
86.03165	0.8
87.00741	4.4
87.04366	0.8
89.02312	9.0
91.73116	0.8
93.03329	4.7
95.01261	7.9
97.02843	3.1
98.20551	0.8
99.00755	12.5
99.04428	0.7
101.02319	76.5
102.02652	1.5
102.98501	1.9
106.23889	0.6
111.00754	0.9
111.04382	1.2
113.02327	41.4
114.02702	0.8
119.03416	1.4
125.02334	2.4
128.17072	0.7
129.01854	2.0
134.82031	0.7
135.04478	0.7
137.02328	1.4
143.03401	5.0
149.09616	14.1
150.10005	1.2
151.11147	0.9
159.02899	10.6
161.04456	57.1
162.04758	2.0
173.04474	7.9
191.14351	1.7
205.03546	2.1
215.04173	1.2
215.10834	0.8
215.14381	6.4
216.11513	1.5
221.15390	1.8
224.04703	5.0
231.13820	3.9
233.15405	4.6
246.04228	1.9
251.16493	33.2
252.16803	2.6
295.15543	1.7
324.06451	1.5
326.11536	1.2
333.06985	3.0
341.13882	1.7
369.13412	0.9
413.21759	38.3
414.22058	3.9
431.09250	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	413.2181
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
55.01757	6.1
57.03325	9.2
58.00467	4.0
59.01251	38.7
59.26562	0.4
59.48001	0.5
60.01563	0.6
63.46077	0.5
67.01718	0.5
69.03325	0.5
69.40304	4.5
71.01254	78.8
71.04859	0.7
72.01566	0.9
72.99184	3.0
73.02818	23.3
75.00734	0.9
81.03337	1.3
83.01255	11.0
83.04912	1.0
84.96037	0.6
85.02822	36.5
87.00755	3.6
87.04389	54.6
88.04724	1.3
89.02316	17.1
92.19727	0.6
93.03360	0.7
95.01250	5.9
95.04902	0.8
97.02827	2.6
99.00753	10.8
99.04383	0.6
101.02322	68.6
102.02659	1.2
102.98498	1.5
107.01212	0.6
107.04885	0.8
109.06429	0.8
109.79100	0.5
113.02330	31.7
114.02677	0.9
119.03392	4.7
121.06461	1.1
125.02372	2.9
129.01859	1.2
131.03403	0.9
135.08020	1.4
137.05997	0.7
143.03401	4.5
151.00272	1.0
151.11191	33.5
152.11566	1.9
159.02884	7.5
161.04465	36.5
162.04764	1.2
163.11215	1.5
168.40338	0.6
175.11180	0.7
179.05527	1.5
181.12309	2.5
189.12865	0.9
191.14311	0.9
193.01282	1.3
193.12329	2.4
193.15933	0.9
199.11263	0.7
200.11992	4.3
203.14336	2.0
205.03453	1.3
205.12215	1.9
205.15903	3.4
207.13853	1.0
215.14343	8.9
216.14857	0.8
219.13779	0.7
221.15398	7.8
222.15675	1.0
223.17012	1.5
231.13849	1.2
232.10997	5.1
233.15416	47.5
234.15703	3.8
249.14893	1.3
250.02589	0.7
251.03430	2.0
251.16493	100.0
252.16820	7.3
269.00873	1.2
295.15579	4.7
325.07254	0.7
384.05652	0.5
413.04782	1.7
413.09018	2.4
413.21777	45.4
414.22147	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03321	1.3
59.01249	5.3
59.22821	0.5
66.91267	0.5
69.20322	5.0
71.01254	7.6
72.99194	0.6
73.02824	2.6
75.00757	0.8
83.01256	2.1
85.02822	3.8
87.00782	0.5
89.02328	0.7
95.01262	0.9
95.04942	0.5
99.00755	1.2
101.02320	4.9
102.98439	0.6
105.03297	1.0
113.02317	2.5
117.03387	0.6
119.04913	2.9
121.02893	0.5
124.74004	0.5
128.78384	0.4
132.02063	18.7
133.02870	6.2
134.03629	13.5
135.04411	0.8
137.02356	1.0
147.26933	0.6
149.05995	2.2
151.03915	1.1
160.01569	84.7
161.02174	4.6
161.04471	1.0
175.03920	100.0
176.04262	6.0
177.01889	0.6
178.02646	1.2
179.03398	1.3
181.42757	0.4
189.01831	0.7
191.05475	0.7
193.04994	17.4
194.05257	0.8
209.26759	0.5
270.01074	0.5
324.25671	0.6
398.12131	1.4
413.14493	69.5
414.14868	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	413.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42444	1.7
59.01239	8.4
64.12412	2.1
70.99159	5.9
71.01247	8.2
79.37512	2.1
85.02788	2.2
89.02310	4.6
94.39310	2.2
101.02280	2.6
108.02034	3.3
109.02840	5.6
113.02338	3.1
121.02794	2.2
125.09612	5.4
132.02071	4.6
135.00754	2.1
137.09621	2.5
153.91508	2.0
161.02307	10.4
171.04440	4.0
173.02286	2.6
174.03194	4.0
181.62605	2.0
185.06044	3.4
187.03908	2.3
191.03436	1.9
195.04419	6.7
198.03154	10.8
207.17522	11.4
213.05510	5.1
223.07652	2.5
224.04790	3.9
233.06110	5.8
237.05487	2.4
243.56734	2.5
249.05519	4.6
250.06175	2.7
251.16396	10.3
257.04385	2.2
261.05563	16.3
262.06256	10.6
264.04239	2.9
276.04175	2.4
277.05020	18.9
278.05679	5.8
279.06555	11.0
288.04236	3.2
289.05078	22.9
290.05847	28.2
291.06436	6.5
292.03638	3.3
293.04529	14.3
294.04913	3.2
305.04544	19.1
306.05347	24.3
307.06052	29.4
308.06491	4.9
316.03726	6.6
317.04507	10.8
318.05264	4.2
333.04004	34.1
334.04800	100.0
335.05362	20.4
349.07132	100.0
350.07361	11.0
366.07428	68.3
367.07672	7.6
381.09772	54.3
382.10181	7.7
384.05920	3.1
401.96045	1.9
413.09164	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	413.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01192	0.3
71.49858	0.4
84.62486	0.2
117.03238	1.2
131.04807	1.2
147.04376	0.6
159.04301	1.1
160.01463	0.4
161.02342	28.7
162.02654	1.6
173.02357	0.4
174.03162	3.9
175.03923	4.5
187.03912	23.3
188.04247	1.3
189.05334	0.3
189.06935	0.3
195.04370	0.5
202.37181	0.3
211.03951	2.5
213.05379	0.5
224.04723	12.0
225.05458	5.1
233.05859	0.6
235.03963	0.6
237.05489	2.2
238.06215	0.7
239.07080	21.0
240.05150	0.3
240.07355	1.8
249.05458	0.4
250.06171	0.5
251.06940	1.1
265.08594	0.8
311.06989	0.9
312.07587	0.4
314.05484	0.3
322.06387	0.5
324.07935	0.5
327.06622	2.3
328.03610	0.3
328.07184	0.5
335.07391	0.3
338.05786	0.9
339.06491	1.4
340.07339	3.3
341.07776	0.8
342.05280	0.5
351.06482	0.7
351.10345	0.7
352.07428	0.6
355.06067	6.2
356.06540	1.7
357.03543	0.3
366.05258	6.5
366.09592	0.5
367.05753	1.7
367.09619	0.6
370.04730	1.5
371.05402	1.0
377.08133	1.8
378.08600	0.6
379.06052	3.1
380.06818	4.4
381.07498	1.5
383.05563	42.6
384.06253	34.9
385.06836	6.8
386.07605	0.5
393.07632	0.7
394.08286	0.5
395.09183	16.6
396.10156	2.0
397.07022	2.8
398.07813	3.8
399.08450	0.6
411.08716	0.8
412.09622	0.6
413.10281	100.0
414.10629	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
63.11713	1.4
64.90473	1.6
69.34886	11.7
104.55423	1.5
193.06784	1.4
427.59360	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	412.9819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.0
59.01254	4.2
63.02272	5.3
65.00192	6.9
65.03809	0.7
66.37127	0.9
67.01748	1.9
68.99673	1.1
69.03316	2.1
71.01270	3.8
71.50597	1.0
72.99188	2.2
79.01738	1.2
79.95602	4.5
81.03321	2.4
83.01254	8.7
85.02807	1.8
85.17894	0.7
87.00768	1.1
87.04446	0.7
93.03332	2.5
95.01266	5.3
95.04930	1.4
96.95889	32.2
97.02823	2.1
99.00754	2.9
101.02332	1.2
107.01266	13.2
109.02839	18.4
111.00761	9.4
113.02312	1.0
115.05434	1.5
117.03357	1.3
119.01349	1.0
119.03429	1.0
119.04911	4.0
121.02860	3.8
123.00766	8.1
123.04382	1.4
124.01520	2.3
125.02337	18.5
126.02642	0.8
130.04173	1.3
131.04921	1.4
133.02837	12.1
135.00737	2.6
135.04366	2.8
136.07726	0.8
136.98712	1.1
137.02347	7.0
137.06001	1.6
138.99268	1.1
139.00276	17.3
139.03899	1.8
140.00999	1.6
141.01814	3.7
143.04889	3.4
145.02846	8.4
145.06448	1.1
146.03572	1.3
147.00757	2.2
147.04396	5.6
148.01521	1.4
149.02361	5.8
149.99457	0.8
151.00272	41.5
151.03850	1.1
152.01070	5.6
153.01845	17.5
154.99762	3.7
157.01335	2.1
157.02831	2.2
158.03621	1.3
159.04407	6.5
161.02347	22.3
161.04384	0.9
161.05942	2.9
163.00330	5.2
163.03900	4.0
164.01068	2.6
165.01820	2.3
165.98949	1.5
166.99771	10.3
168.00507	4.7
169.01344	8.4
171.04417	5.1
173.02322	2.9
174.03131	3.0
175.00310	8.0
175.03912	6.2
176.01007	0.8
177.01791	3.1
177.05453	1.5
178.99774	46.1
180.00273	3.8
184.35524	0.9
187.03957	10.4
189.01810	3.8
189.05501	4.4
190.02586	3.1
190.99861	4.0
191.03448	4.7
191.04869	0.9
192.00452	1.2
193.01346	10.5
194.99260	9.2
197.00819	3.0
199.03935	6.1
200.04204	0.9
201.01814	1.7
201.05458	1.1
202.02608	1.5
203.03458	7.9
204.03807	0.8
205.01436	3.7
205.04993	8.0
206.99274	2.3
207.03009	1.1
209.00768	2.6
213.01877	3.3
215.03445	12.5
216.04016	1.3
217.01341	2.8
217.05016	5.1
219.02957	2.3
222.98831	6.0
223.99544	2.2
226.02647	0.8
227.03415	2.2
229.01395	1.6
230.02220	2.0
231.02939	5.8
232.03642	1.8
233.00815	1.8
233.04510	27.2
234.04823	1.7
241.01511	1.9
242.02295	0.8
243.02985	13.3
244.03354	1.1
245.00868	3.5
245.04512	7.3
247.02400	4.5
255.02911	3.5
258.01630	1.6
259.02460	12.1
260.02902	1.2
261.04016	22.1
262.04333	2.5
269.00970	1.6
271.02454	20.3
272.02881	2.5
287.01962	22.6
288.02234	2.1
289.03543	14.6
290.03851	1.3
295.10626	1.2
300.02744	23.1
301.03082	2.8
305.03055	5.6
315.01431	26.1
315.04651	0.9
316.02078	5.2
331.01016	1.9
331.04599	1.0
333.02490	100.0
334.02887	8.6
412.98117	11.7
413.14502	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31143	4.5
54.97850	4.5
56.25714	5.0
59.01249	100.0
73.63593	4.6
78.95753	10.5
81.26107	4.8
81.56137	4.1
83.27723	5.1
98.20567	11.2
99.24554	5.3
121.57607	5.4
125.73358	4.9
133.67511	4.6
152.99475	10.2
153.05493	8.3
179.36441	4.8
229.20091	7.4
231.17567	34.8
234.33087	5.3
257.15408	9.5
351.19507	9.0
357.04291	5.2
379.19052	11.5
397.28427	5.2
411.08591	6.7
411.21490	24.8
411.30829	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08701	1.1
59.01252	12.2
69.03328	3.0
69.64001	2.0
69.64388	7.6
71.01267	9.7
72.99171	8.4
73.02827	2.0
75.00740	26.6
75.48344	1.2
79.95627	1.3
85.02837	2.1
89.02330	7.0
96.95913	3.2
97.06471	7.0
101.02295	1.9
111.00716	1.5
117.01808	2.9
121.02843	5.4
121.95282	1.3
122.03555	1.4
123.00831	1.8
123.04381	4.3
123.79452	1.2
129.23805	1.2
133.02864	1.7
134.03647	3.0
135.02887	100.0
135.04469	3.0
136.03229	1.3
139.00294	1.4
146.03625	29.1
146.67480	1.3
147.04433	8.3
149.06013	3.3
151.03885	5.8
157.06516	1.8
159.04407	3.8
160.05215	2.1
161.02399	2.9
161.05978	4.9
162.03078	1.4
162.06793	3.2
163.03879	1.8
163.07559	2.3
169.01323	2.0
172.05194	6.1
173.05980	7.3
173.09718	1.7
174.03088	1.4
174.06799	2.3
175.04111	5.9
175.07561	70.0
176.04700	13.5
176.07928	6.0
177.09114	29.4
178.09575	1.7
185.05981	1.5
187.03922	5.6
187.07553	26.0
188.07957	2.0
189.05557	5.8
190.06316	15.0
191.10699	3.0
199.07611	1.9
201.05542	6.8
201.09145	17.8
202.06305	21.6
202.09506	1.4
203.06998	4.8
203.10701	2.4
204.07857	5.6
205.08647	23.2
213.09166	2.8
215.07018	1.5
216.07928	3.4
217.08617	2.4
219.10217	47.8
220.07394	3.5
220.10588	5.7
221.11818	4.7
231.10231	43.0
231.12532	2.5
232.10620	4.2
249.11293	89.1
250.11700	6.9
257.08102	2.8
263.09409	2.2
275.09097	8.5
293.10284	14.3
294.10757	2.1
298.98355	2.3
299.99100	2.6
301.00064	1.7
331.04578	3.2
351.20053	1.6
381.11893	12.6
393.11792	1.6
411.04922	2.6
411.13037	58.0
412.13403	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	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.7
60.70403	1.0
61.98700	1.5
65.00182	2.2
68.99696	1.0
69.03322	2.9
69.37266	5.8
69.37668	2.4
69.65865	0.9
71.01251	16.4
72.99176	6.9
73.02812	3.6
73.11866	1.1
75.00745	21.2
83.01256	2.6
83.99331	1.0
85.02837	6.4
87.00745	2.6
89.02320	5.5
91.01761	1.3
93.03327	4.0
95.01263	1.6
96.95896	7.1
97.02814	1.5
97.06445	6.1
98.20626	1.9
99.00763	2.2
101.02317	10.3
108.02062	1.7
109.02822	8.8
109.99972	3.2
111.00779	1.5
113.02313	4.6
117.01799	2.6
121.02852	9.9
123.00791	3.2
123.04405	3.3
124.01556	4.3
125.02361	1.7
131.03400	4.2
133.02872	3.0
135.02885	89.3
135.04416	2.4
136.03308	1.7
137.02322	17.5
137.99516	2.1
139.00247	3.7
139.03920	3.3
140.00983	1.5
143.03455	1.6
146.03629	40.8
147.00774	1.6
147.04443	6.1
148.01505	1.0
149.02362	3.8
149.06001	2.0
149.99533	1.5
150.03191	1.5
151.03918	8.8
151.07483	1.6
153.01833	1.4
155.03380	1.3
157.06468	2.2
159.04405	3.6
159.08118	1.4
160.05185	2.7
161.02357	4.2
161.04472	6.4
161.05940	3.3
162.06775	4.1
163.00258	3.9
163.07541	3.0
165.01842	18.7
165.99001	21.0
166.02103	1.2
166.99873	1.2
169.01277	2.2
172.05217	5.3
173.04558	2.0
173.06006	7.8
173.09570	1.2
174.03162	1.4
174.06691	1.6
175.00275	4.3
175.04103	5.3
175.07559	100.0
176.01073	2.1
176.04713	9.4
176.07918	7.4
177.01749	2.3
177.05428	1.6
177.09119	11.4
178.99796	3.3
181.01334	11.0
187.03958	6.5
187.07559	22.3
188.04611	1.4
188.08000	1.2
189.05537	5.3
190.06252	13.7
190.99892	1.7
191.10739	3.7
192.79659	1.1
193.01337	10.9
198.03165	2.4
199.03880	1.3
199.07581	2.7
200.08235	2.0
201.05499	6.9
201.09140	17.5
202.06288	21.1
202.09381	1.7
203.06924	2.9
203.10666	2.3
204.04135	1.4
204.07858	6.0
205.08627	18.0
206.09036	2.1
209.00832	3.7
213.05453	1.9
213.09148	2.5
214.02667	1.4
216.07755	1.9
217.08498	1.2
219.10202	59.2
220.07358	3.8
220.10602	4.0
221.11763	4.7
226.02574	1.3
231.10226	53.7
232.10579	4.8
242.02170	5.6
243.02815	2.2
249.11293	79.2
250.11513	8.7
255.02937	2.1
260.03113	1.7
263.09232	2.3
265.48135	1.1
269.04349	1.3
270.01697	7.3
271.02460	7.9
272.03024	1.4
275.09259	4.6
279.14505	14.5
285.04056	7.1
286.04391	1.5
287.01974	5.8
287.05444	2.0
288.02673	4.0
293.10355	16.5
294.10626	1.6
298.98279	2.8
299.99301	2.4
300.02670	1.3
300.99854	1.4
303.04947	1.5
313.03555	7.7
316.02142	13.9
317.02621	1.9
331.04572	89.7
332.04938	11.7
381.11835	15.4
382.12073	1.4
393.11896	3.3
411.00430	9.7
411.12936	58.4
411.17688	2.1
412.00784	1.3
412.13297	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	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	36.7
60.78972	2.5
61.98678	3.7
69.03307	4.8
70.52689	2.9
70.53020	6.0
71.01247	16.5
72.98785	5.2
72.99178	86.1
73.02805	3.4
75.00735	14.6
79.95590	4.4
81.66191	2.9
83.65948	2.7
85.02821	7.7
87.00772	6.5
89.02304	9.7
91.02776	2.6
93.03363	4.8
95.01259	5.0
96.95883	15.8
97.02854	2.8
97.06468	7.3
101.02332	7.6
108.02063	4.2
109.02789	4.6
111.12471	2.4
113.02364	3.6
113.56051	2.7
117.01803	3.6
121.02805	11.5
123.04400	6.6
131.07040	12.1
133.02841	5.1
134.03648	23.1
135.02899	54.2
135.04420	8.4
136.01547	3.2
137.02307	6.3
139.00241	4.0
139.03893	2.5
147.04422	6.1
149.05934	6.4
150.03191	2.8
151.03934	4.6
159.04437	5.2
160.01549	5.4
161.02318	8.9
161.04356	2.5
162.03136	3.6
163.07535	3.7
165.98935	4.7
172.05193	7.9
173.05981	5.7
174.03123	11.0
174.06720	3.4
175.03931	32.7
175.07603	4.6
176.04745	18.5
177.04439	7.7
177.09151	38.7
178.02600	6.2
179.03365	3.1
181.01315	3.7
184.32588	2.6
187.03990	4.9
187.07585	38.7
188.08051	4.7
190.06274	7.7
199.07614	5.0
200.04623	3.2
201.05458	8.1
201.09158	37.2
202.02623	6.1
202.06250	17.7
202.09369	4.6
203.03256	7.7
203.06842	5.7
203.10780	4.4
204.03349	6.2
205.03857	4.3
205.08698	29.7
206.09026	4.9
213.09128	8.6
219.10239	25.0
220.10533	4.8
229.08575	5.9
231.10236	41.6
247.09686	7.5
249.11273	54.1
250.11691	4.5
257.08112	6.5
275.09119	15.5
287.01886	3.5
293.10306	100.0
294.10651	10.3
301.00119	2.6
313.03201	2.5
316.02286	5.7
331.01373	2.9
331.04651	23.4
332.05231	3.1
411.08038	4.5
411.12720	50.3
412.13437	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	411.0237
Annotation	Turgorin
Peak:m/z	Relative Intensity
58.77519	0.6
59.01262	1.2
62.08800	0.5
63.58606	0.7
68.92301	0.5
71.01246	2.1
71.07408	1.2
74.13587	0.5
79.95596	3.1
80.96379	3.4
85.02812	0.9
87.00738	1.4
91.82518	0.5
96.95885	98.9
99.00768	0.7
101.02316	1.2
113.02305	0.6
120.83292	0.6
125.02328	14.8
138.96971	10.3
143.03375	0.7
150.96974	1.6
164.98553	1.3
168.98203	1.1
169.01335	29.3
170.01637	0.9
175.64832	0.6
180.98154	1.1
217.03040	0.5
222.99104	2.5
241.00195	100.0
242.00485	3.1
331.06738	5.5
367.03326	0.9
403.18027	0.7
411.02359	97.7
412.02585	7.7
433.35532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0873
Annotation	Patientoside A
Peak:m/z	Relative Intensity
54.25551	0.4
56.84821	0.4
58.94341	0.4
59.01257	1.1
66.40696	0.4
71.51136	0.4
96.21484	0.5
105.14740	0.4
107.85809	0.4
108.49541	0.3
130.08415	0.4
137.13884	0.4
161.02347	1.7
292.08380	0.4
298.06152	0.6
311.07129	0.8
312.08020	1.1
320.08347	0.7
321.09076	1.1
322.06134	0.7
324.07840	0.5
326.05801	0.7
327.06326	0.9
336.07916	0.8
337.08746	0.8
339.06641	1.4
340.07416	4.2
341.04401	0.8
341.08157	0.7
348.07712	1.0
349.08658	6.9
350.05719	1.8
350.09390	0.5
351.06485	1.5
352.07111	0.7
354.05350	0.8
355.06113	1.6
356.06805	1.2
364.07315	1.3
365.08047	2.9
366.08646	0.7
367.05804	2.3
367.09808	1.6
368.06772	6.4
368.10925	0.6
369.07455	0.6
371.05545	0.5
375.06650	0.8
376.07062	0.9
378.05316	4.1
379.06027	1.8
381.07861	0.7
382.04718	1.3
383.05203	1.1
383.09320	1.4
384.06372	16.1
385.06818	1.9
392.06848	4.3
393.07669	31.6
394.08078	4.7
395.05444	3.9
396.06342	20.9
397.06577	3.0
410.07849	0.5
411.08731	100.0
412.09076	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	411.0237
Annotation	Turgorin
Peak:m/z	Relative Intensity
54.60508	0.4
59.01242	0.8
64.98877	0.4
69.82306	2.5
71.01255	2.6
72.99186	0.6
73.02808	1.4
79.95606	3.6
80.96393	3.3
85.00880	0.4
85.02780	1.0
87.00761	1.2
95.01262	0.6
96.95885	100.0
98.20448	0.8
99.00751	0.6
101.02301	1.1
105.31890	0.5
110.23653	0.5
113.02319	0.7
122.97466	0.4
124.01547	0.4
125.02328	14.5
135.25873	0.4
138.96950	7.8
143.03374	0.5
150.96988	1.1
164.98506	1.2
168.98111	1.1
169.01334	25.1
170.01695	0.8
180.98041	1.1
185.82040	0.4
222.99097	1.8
241.00194	71.2
242.00507	2.0
263.05606	0.6
287.02722	0.4
290.01178	0.4
331.06665	2.9
379.06662	0.5
411.02368	55.0
411.09314	5.4
412.02704	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	411.0026
Annotation	Quercetagetin 3-methyl ether 7-O-sulfate
Peak:m/z	Relative Intensity
56.75771	0.6
59.01239	1.0
62.18048	0.5
65.00185	2.6
69.50370	2.3
69.50800	2.3
71.01243	1.0
72.99169	1.3
75.00750	0.6
79.71587	0.6
79.78455	0.5
79.95603	1.9
89.00217	0.8
89.02322	0.8
91.01769	0.8
92.02115	0.6
93.03311	3.4
95.01231	1.0
96.95879	5.7
97.02832	1.7
108.02043	0.8
109.02836	5.6
109.99968	4.8
111.00781	1.5
121.02821	6.3
123.00797	3.5
124.01578	3.1
124.98700	0.7
125.02325	1.1
135.00830	0.9
135.02885	4.2
136.98685	0.7
137.02345	13.4
137.99455	2.2
139.00275	3.4
139.03874	4.3
147.00795	1.0
149.02370	4.5
149.99458	1.0
151.00279	1.7
153.01836	1.3
155.03453	0.6
159.04398	0.8
161.02330	0.9
163.00310	3.6
164.01053	2.5
165.01852	16.6
165.97617	1.3
165.98988	18.7
166.02193	0.9
166.99625	1.9
175.00307	5.3
175.07553	1.6
176.01022	2.1
176.04698	1.0
177.09105	2.1
178.99803	3.2
180.00539	0.6
180.99744	0.7
181.01347	12.4
182.01749	0.9
183.02953	1.2
187.03889	0.9
187.07542	2.0
188.04582	0.7
190.06216	0.7
190.99806	1.6
193.01375	11.4
193.98341	0.7
194.01782	0.7
198.03137	2.2
199.03859	0.9
202.06337	1.1
205.08704	2.7
207.02945	1.2
209.00868	3.5
213.05545	0.9
214.02594	2.2
215.03421	1.5
216.04204	0.8
219.10158	1.7
219.28531	0.6
226.02684	1.4
227.03395	2.7
231.02675	0.6
231.10231	1.6
242.02158	7.5
243.00517	0.5
243.02856	3.7
244.03502	1.3
249.11342	5.6
253.01375	0.6
255.02957	1.9
256.03500	0.7
257.04611	1.0
259.02463	1.7
259.06097	0.7
260.03226	1.2
269.04593	1.9
270.01703	7.9
271.02399	9.2
272.03189	3.0
285.04022	7.8
286.04309	1.3
287.01965	7.3
287.05603	2.9
288.02704	5.4
293.10324	0.7
299.01984	1.4
300.02774	1.8
303.05048	2.6
313.03479	5.3
316.02225	16.8
317.02618	1.7
329.03058	1.6
331.04565	100.0
332.04855	9.7
411.00311	9.5
411.13034	4.9
412.00937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0022
Annotation	Quercetagetin 3-methyl ether 7-O-sulfate
Peak:m/z	Relative Intensity
53.84233	0.7
56.73883	0.7
59.01254	1.8
65.00180	2.1
69.36212	5.9
75.00746	2.2
85.79282	0.8
91.77657	0.7
93.03338	2.7
96.95891	7.8
97.02819	2.3
98.05679	0.8
104.83968	0.6
108.02002	0.9
109.02837	10.6
109.99961	2.4
111.00775	1.1
121.02818	5.6
123.00790	4.5
123.04384	0.9
124.01506	1.2
133.02820	1.7
134.03618	9.9
135.02885	12.0
135.04420	1.9
136.01511	0.8
137.02341	32.5
137.99489	1.5
138.02719	0.9
139.00291	1.8
139.03894	3.2
147.00803	5.2
149.02335	3.3
149.99507	1.7
151.00249	1.2
151.03897	2.0
152.01044	1.0
153.01840	5.0
155.03430	0.7
163.00288	2.1
164.01050	3.8
165.00510	1.5
165.01848	25.1
165.98984	6.8
166.02351	1.0
166.99692	1.2
175.00284	18.8
176.00906	1.4
177.01874	1.5
178.99774	2.6
181.01367	7.7
187.03894	1.2
192.00562	2.8
193.01355	8.6
198.03110	2.0
199.03931	1.7
203.10571	0.9
207.02986	4.4
209.00836	2.5
213.01700	1.0
214.02667	2.4
215.03493	1.3
226.02673	3.0
227.03406	2.5
231.02968	0.7
231.10223	2.6
241.05023	0.7
242.02194	6.9
243.02928	4.6
244.03616	1.2
249.37682	0.7
254.02196	2.6
255.02908	2.1
257.04547	3.7
259.06094	1.7
269.04626	2.0
270.01678	6.1
271.02454	11.6
272.03131	1.9
284.05359	2.2
285.03906	5.5
287.01938	6.2
287.05621	5.5
288.02634	2.7
293.10318	0.9
299.01941	10.0
300.02716	3.5
301.03424	1.9
303.05234	1.2
313.03519	14.4
314.04044	2.2
316.02167	13.7
317.02628	1.2
329.03064	2.8
331.04562	100.0
332.04922	9.3
394.02115	0.7
411.00284	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.2
59.01249	100.0
60.96048	1.1
69.33128	13.0
71.01254	21.0
71.86543	1.4
72.99175	2.5
73.02808	6.8
83.01255	2.4
85.02811	8.9
87.00746	1.7
89.02322	4.2
99.00768	3.8
101.02320	15.7
103.61256	1.3
113.02307	9.6
127.32074	1.5
131.23941	1.3
143.03323	1.6
158.71733	1.6
159.02899	2.2
161.04469	22.1
187.13284	3.6
205.03598	2.2
225.11296	1.8
230.42465	1.3
246.01585	4.6
247.02512	2.8
250.53960	1.3
349.18649	20.9
350.19186	2.0
409.07578	5.6
419.77304	1.6
420.58920	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	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
56.27516	0.4
59.01255	2.5
68.38167	0.5
78.95774	72.6
79.74593	0.5
86.56571	0.6
96.96850	6.6
97.48250	0.4
98.20691	1.0
144.95714	0.5
150.97931	1.6
152.99487	100.0
153.99864	1.3
171.00563	2.6
195.82205	0.4
255.23300	2.7
264.32169	0.4
319.27060	0.5
407.67001	0.5
409.23553	13.8
409.28647	0.9
410.23953	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07809	0.5
55.01776	0.6
57.03309	0.8
59.01248	100.0
59.10366	0.6
60.01597	1.3
67.65868	0.6
69.74369	3.3
71.01252	20.8
72.01595	0.6
72.70236	0.5
72.99179	1.2
73.02819	4.4
75.00727	0.7
83.01255	1.8
85.02822	7.1
85.98776	0.5
87.00751	0.9
89.02315	11.9
95.01271	1.0
97.02868	0.8
99.00780	1.9
101.02317	15.1
113.02332	9.6
119.03387	5.2
125.02347	0.9
131.03389	0.7
143.03436	2.3
159.02914	2.6
161.04457	23.7
162.04858	0.7
165.05450	0.9
179.05518	3.9
187.13277	3.2
205.03502	1.2
243.00066	0.8
277.12753	0.7
312.58121	0.6
349.18655	36.3
350.18945	3.2
393.17755	1.6
409.08560	0.6
409.21182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.8
59.09049	0.6
70.11337	0.7
71.50620	0.7
71.51131	0.8
76.98993	0.6
78.95790	1.6
81.48861	0.6
89.02344	0.8
92.04926	5.6
96.95895	0.7
149.69601	0.6
152.60165	0.6
152.99501	2.8
161.02342	1.9
161.04457	0.9
173.02333	1.2
174.03154	1.8
178.91122	0.6
187.03973	1.8
203.07324	2.8
204.08124	4.6
220.07669	5.1
222.09164	1.7
233.04825	2.3
236.10684	0.7
247.06268	3.8
248.07135	63.4
249.07446	4.8
250.05067	2.4
251.05858	8.4
262.88455	0.6
264.06711	1.5
265.07416	7.2
266.08206	100.0
267.08505	9.9
279.08957	4.5
280.09698	1.8
409.15543	38.2
410.15842	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03310	1.4
57.40803	0.6
58.00468	0.9
59.01247	100.0
59.48659	0.7
60.01575	1.0
60.37049	0.8
61.98705	0.9
69.03330	0.7
69.76575	3.0
69.76981	1.3
71.01250	30.7
72.99181	2.8
73.02815	5.5
74.18473	0.7
75.00734	1.1
82.88136	0.7
83.01271	3.4
85.02820	7.9
87.00771	2.4
89.02314	31.5
95.01256	2.3
99.00756	2.0
101.02312	22.1
103.00298	0.9
109.02840	1.0
113.02326	12.0
115.00304	0.9
119.03386	12.6
125.02325	1.5
131.03413	2.4
135.02940	1.3
135.04485	0.9
143.03375	4.4
147.04375	1.0
149.02402	1.1
149.04439	1.0
151.03943	2.1
159.02887	1.3
161.04460	13.4
165.05508	1.2
173.04456	1.4
173.05937	1.1
175.03951	1.3
175.07610	1.7
176.04655	1.3
179.05505	12.1
180.05859	0.8
187.09653	1.0
187.13358	2.1
191.05481	1.0
201.11284	1.1
202.06439	0.7
203.79668	0.7
205.08669	1.6
214.19244	0.8
231.10358	1.6
247.02271	0.8
249.11357	2.2
261.13437	1.0
301.00150	1.0
305.16040	9.3
306.16409	0.9
331.17685	1.9
349.18668	33.7
350.18927	3.7
409.16626	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	409.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
60.18930	0.3
69.28049	2.2
71.01235	0.6
71.44043	0.2
72.99138	0.2
73.02822	0.3
79.95595	0.7
81.94955	0.2
96.95905	0.3
98.20549	0.5
109.99960	1.0
133.99969	0.7
134.03615	0.4
136.98668	0.3
143.04956	0.2
149.58812	0.2
175.03914	0.5
185.18291	0.2
199.03958	1.4
200.04260	0.3
203.03394	0.4
215.03407	1.1
226.02737	0.4
227.03503	2.1
241.04842	0.3
242.02142	1.9
243.02950	12.4
244.03343	1.0
255.02908	0.7
257.04544	3.7
258.05331	1.5
269.04483	0.6
270.01727	2.7
270.04498	0.4
271.02469	27.7
272.02802	2.2
273.07578	0.4
285.04065	7.7
286.04819	3.9
287.05579	0.3
299.01959	34.3
300.02261	2.6
301.07172	0.5
305.36148	0.3
313.03622	0.4
314.04315	40.0
315.04626	4.1
329.06656	100.0
330.07013	9.9
348.40466	0.2
394.43481	0.3
409.02344	10.2
410.02887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
59.01247	10.3
59.52010	0.3
65.55262	0.4
67.01289	0.3
69.03323	4.4
69.42996	2.2
70.99465	0.7
71.01249	5.7
72.99173	1.0
74.98969	1.2
85.02821	1.2
87.00740	2.5
89.00517	2.2
89.02313	6.2
96.95912	0.4
97.02811	1.1
99.00748	1.6
100.95516	0.3
101.02316	2.8
113.02335	2.0
115.05376	0.5
119.03352	2.5
124.06132	0.4
130.04120	0.8
131.03421	0.5
131.04924	6.4
132.05267	0.6
135.04457	0.4
136.99078	0.6
143.03403	0.9
147.04411	1.3
157.02919	0.8
158.03474	0.4
159.04399	1.1
161.04463	0.7
163.03923	0.4
173.02345	2.3
174.03134	51.6
175.03912	100.0
176.04254	5.2
179.05525	4.3
185.00818	1.8
187.03891	1.8
200.04671	0.4
201.01868	1.7
201.05493	0.9
202.02649	49.2
203.03418	41.0
204.03752	3.8
211.04065	0.4
217.05025	3.6
218.39442	0.4
227.03311	0.6
229.05035	2.5
245.04497	0.7
246.01645	7.6
247.02444	3.6
247.06006	1.1
275.05615	0.6
297.08359	0.4
337.09308	1.3
352.42941	0.4
409.07697	13.2
409.13037	0.8
409.18900	2.8
410.08099	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	409.0235
Annotation	Eupalitin 3-O-sulfate
Peak:m/z	Relative Intensity
57.79934	0.4
59.01251	2.8
62.93037	0.4
68.71041	0.4
71.01248	2.3
71.51022	0.4
73.02821	0.6
77.86279	0.4
79.95605	0.5
80.96408	0.7
83.01248	0.4
85.02814	0.7
91.55954	0.4
93.03327	11.5
94.03673	0.5
96.95879	1.7
99.00771	0.5
101.02316	1.8
108.02016	0.5
121.02836	91.3
122.03159	3.4
126.56644	0.4
133.01237	0.4
134.03644	2.5
135.04358	0.7
136.24332	0.4
137.02284	0.6
139.03893	4.8
147.00783	0.5
149.02344	7.5
151.00334	0.5
161.04410	0.8
175.03932	0.7
187.03925	0.5
199.03946	1.1
211.03937	0.7
215.03453	0.6
220.79803	0.4
223.03812	0.7
225.01878	0.4
227.03401	3.9
231.10223	0.6
241.04961	1.0
242.02138	0.8
242.05748	1.2
243.02991	2.1
254.02065	0.4
255.02982	4.1
255.06606	0.8
256.03513	0.7
257.04584	3.3
258.05371	2.0
269.04425	2.0
270.05295	5.2
271.02457	20.3
272.02838	2.2
273.07648	4.3
274.08127	0.5
277.16626	2.8
283.02536	0.4
283.06323	0.6
285.04047	1.9
285.07532	0.8
286.04758	6.4
299.01947	8.9
300.02176	0.5
301.07132	3.4
302.07492	0.7
314.04279	10.9
315.04672	0.9
327.05020	0.8
329.06631	100.0
330.06967	10.3
395.28088	0.5
409.02283	8.4
409.20447	0.9
410.02444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0235
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
55.88354	0.3
59.01259	0.5
62.81639	0.3
63.13179	0.3
71.01244	0.4
71.06628	0.8
79.95602	0.4
94.01588	0.4
95.95104	0.3
110.00012	1.2
134.00023	0.5
154.73761	0.3
175.03873	0.4
199.03972	1.0
215.03470	0.8
227.03560	1.7
242.02162	1.2
243.02943	10.2
243.05380	0.7
244.03206	0.8
255.02975	0.4
257.04572	3.7
258.05304	1.6
269.04666	0.6
270.01752	2.1
271.02457	24.0
272.02838	2.1
285.04025	5.8
286.04752	3.4
299.01950	31.8
300.02243	2.7
301.07217	0.9
314.04306	38.6
315.04575	3.4
329.06650	100.0
330.06985	9.7
409.02307	10.7
409.13898	0.6
409.18744	1.4
410.02811	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0232
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
53.93875	0.8
56.32203	0.7
59.01269	1.2
67.84363	0.7
69.26189	5.6
69.26607	2.2
79.95612	2.5
96.95908	6.4
109.99973	1.1
132.08513	0.8
199.03938	1.9
215.03343	1.2
227.03384	2.6
242.02240	2.1
243.02902	9.7
257.04517	4.7
258.05051	1.1
269.04541	0.9
270.01624	2.3
271.02460	29.2
272.02853	2.0
285.04080	8.2
286.04779	4.1
299.01962	38.4
300.02219	3.6
314.04312	47.4
315.04562	3.4
329.06656	100.0
330.06982	7.6
359.37433	0.8
409.02289	8.5
409.13171	3.6
410.02475	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	408.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38495	0.5
56.40990	0.5
59.01235	3.1
69.45391	3.6
69.45818	1.4
71.01253	1.8
75.00730	0.7
80.47638	0.5
93.03441	0.5
98.19720	0.9
115.00253	1.1
121.02833	0.6
125.00573	1.3
133.01302	1.0
134.03622	7.0
134.44638	0.5
135.02910	0.7
135.04401	1.0
175.03911	2.0
230.88861	0.6
231.10251	2.3
242.99446	0.9
266.85721	0.6
270.98819	29.0
271.99158	1.8
279.06985	0.6
285.00375	4.8
286.01123	1.2
288.74023	0.6
293.10229	0.7
298.98315	57.8
299.98758	4.0
312.99884	13.2
314.00653	48.0
315.01126	4.0
329.02997	100.0
330.03369	9.5
338.73221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.9872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.9
61.92816	0.5
67.79891	0.4
69.34220	4.3
70.80150	0.5
71.01234	2.4
73.02823	0.7
76.02463	0.5
84.10233	0.4
85.02871	0.6
87.36417	0.5
89.02351	0.7
97.57385	0.5
101.02341	1.7
102.12638	0.6
111.53597	0.5
115.00298	1.0
133.01346	1.7
133.02875	1.1
134.03630	4.0
135.04457	2.0
161.02382	3.9
161.04434	0.6
179.03444	0.8
214.02568	0.6
231.10202	0.7
242.02190	0.9
242.99355	0.6
258.01721	1.7
270.98837	31.3
271.99091	2.6
277.16550	2.0
283.99594	2.5
285.00339	5.8
286.01202	3.8
293.10553	0.6
298.98328	60.7
299.98706	4.2
312.99918	7.3
314.00681	72.8
315.01010	5.0
329.03015	100.0
330.03394	9.6
330.56863	0.6
358.52420	0.6
408.98822	5.1
409.15015	2.9
409.20871	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	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01249	100.0
60.01581	1.2
61.98696	2.0
69.54898	4.9
69.55301	1.5
71.01257	12.9
71.36557	0.9
72.99180	2.4
73.02814	5.3
73.32370	1.1
75.00755	4.8
80.76538	1.0
82.77879	1.0
83.01256	1.9
85.02821	4.5
87.00744	1.4
89.02312	6.1
94.55060	1.1
95.01255	1.8
96.95912	1.4
99.00745	1.4
101.02318	13.3
109.02863	2.4
109.45118	0.9
113.02338	5.4
119.03375	3.2
120.99547	5.2
121.02841	1.2
123.00655	1.3
125.02334	3.7
135.04393	2.9
137.02383	1.0
139.00171	0.9
139.03920	1.0
150.03149	1.6
159.02888	1.0
161.04457	6.8
163.00337	0.9
165.01846	2.1
165.05418	1.4
179.05363	1.0
180.04060	1.0
185.11707	2.6
195.06517	1.8
218.02170	1.0
225.07579	1.2
243.04066	2.3
257.05695	1.5
259.07187	3.9
259.10626	1.1
259.16058	1.0
271.07181	3.5
274.01120	3.8
275.01996	7.6
287.10336	7.2
291.09692	1.4
313.08215	9.2
317.10263	2.7
331.09177	5.2
347.17093	30.2
348.17377	3.0
349.38776	0.9
375.08224	2.6
407.06067	5.9
407.11169	3.3
407.18613	4.2
408.06482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62116	1.6
59.01249	100.0
64.79826	1.6
69.38810	7.8
69.39237	6.0
71.01252	15.5
72.99162	2.2
73.02814	3.5
74.98975	3.2
75.00720	4.0
82.02863	9.4
83.01254	2.7
85.02825	5.9
87.00745	2.3
89.02310	4.8
90.42964	1.8
95.03369	1.7
98.82976	1.6
99.00739	2.0
101.02311	10.5
107.37037	1.6
109.02806	2.6
113.02335	7.1
119.03356	2.3
120.99565	1.9
125.02355	1.8
135.04395	2.9
137.02304	2.1
142.14070	1.9
150.03186	1.9
151.03886	1.5
159.04218	1.8
160.07593	3.1
161.04471	8.2
164.03453	6.5
165.01855	2.2
167.03487	2.3
172.07396	1.7
173.02399	2.6
179.03383	2.6
186.05493	2.1
188.07162	2.5
189.01797	3.0
190.02641	7.6
194.99541	1.8
200.07137	2.0
201.01804	3.8
202.02698	2.9
202.08621	3.8
203.03427	3.9
214.04874	1.7
215.04665	2.5
216.05080	2.5
216.06767	2.6
217.02667	2.3
217.06139	5.9
218.02127	6.3
228.06653	2.2
229.01350	9.3
229.06116	7.8
230.06918	4.2
231.07669	8.6
232.08498	5.1
241.06129	3.2
242.03455	2.8
243.04073	21.5
243.07771	3.9
244.04839	8.9
244.09766	11.8
245.00935	2.5
245.04591	7.5
245.09355	4.3
256.04861	6.2
257.00943	13.9
257.05612	14.0
258.01523	2.7
258.06415	5.8
259.07224	38.9
259.10806	7.6
260.07346	2.2
269.09271	2.2
271.07239	16.3
272.07629	2.1
274.01175	41.1
275.01956	74.5
276.02362	5.3
285.08838	4.4
287.10385	68.0
287.13663	4.0
288.08566	5.6
288.11151	3.5
291.09839	7.3
297.05103	2.1
313.08298	84.6
314.08759	8.6
331.09357	45.5
332.09698	6.6
335.08966	2.5
345.10730	4.2
347.17078	21.0
357.07477	2.3
375.08273	14.8
376.08609	2.6
389.10147	2.8
407.06113	65.4
407.10977	39.0
407.18234	4.0
408.06525	9.0
408.11285	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	407.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.9
64.68140	0.6
69.78958	3.4
71.01243	3.0
72.99178	1.2
73.02797	1.1
74.98965	1.4
82.02856	2.4
83.01241	0.9
84.20702	0.5
85.02808	1.5
87.00745	0.9
89.02314	2.3
89.29675	0.5
95.01247	0.6
101.02325	2.0
109.02827	1.3
111.00810	0.6
113.02332	1.4
119.03412	0.7
120.99508	1.2
125.02352	0.8
134.03622	0.6
135.04405	0.8
149.02405	0.5
150.03062	0.9
153.01871	1.1
161.02361	1.1
161.04491	2.0
163.03857	0.6
164.03467	1.4
167.03354	0.6
173.02361	0.9
173.04514	0.7
179.03415	0.8
181.04942	0.8
185.02432	0.9
188.07126	0.8
189.01772	2.6
190.02640	9.9
191.03230	1.2
201.01862	2.5
202.02618	1.6
203.03384	4.3
205.01277	0.8
205.64400	0.6
211.06026	0.6
213.01839	1.0
216.00659	1.0
216.05183	1.2
217.01357	2.4
217.06143	2.1
218.02147	9.4
219.02922	2.1
222.01776	1.3
228.00691	2.8
229.01367	9.1
229.06168	1.7
230.06793	1.1
231.02898	1.0
231.07732	2.1
241.06213	0.8
243.04134	4.5
244.04874	1.1
244.09816	2.6
245.00853	2.3
245.04599	1.2
245.09372	0.9
246.01654	2.0
247.02438	1.1
256.00128	1.1
256.04849	1.6
257.00882	13.7
257.05441	3.6
258.01541	3.4
258.06314	1.0
259.07178	8.4
259.10986	0.9
271.07193	4.6
273.00409	1.2
274.01190	40.9
275.01959	77.4
276.02377	4.5
285.08948	1.2
287.07440	1.2
287.10376	14.8
288.08426	1.1
291.09885	2.2
313.08295	19.1
314.08646	1.6
317.10394	1.0
331.09323	13.4
332.09781	1.5
345.11014	1.6
347.17044	1.6
375.08365	4.5
384.50583	0.5
389.09866	1.0
407.06174	100.0
407.10965	14.2
407.17920	2.2
408.06479	10.2
408.11212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01756	0.9
57.03324	1.0
58.00470	2.3
59.01250	47.9
60.01582	0.4
61.98695	0.8
71.01251	50.9
71.04916	0.3
72.01580	0.9
72.99187	2.4
73.02823	1.5
75.00750	0.4
83.01253	2.0
85.02822	5.4
87.00732	1.6
89.02313	30.8
95.01257	1.8
97.06431	0.3
98.19826	0.7
99.00768	0.6
100.37503	0.3
101.02322	19.6
108.02058	0.8
113.02325	11.0
114.22880	0.3
119.03388	13.1
120.03665	0.6
123.00781	0.5
127.07566	0.4
127.11148	1.2
131.03369	0.9
134.06021	0.4
139.11206	1.2
143.03372	1.0
146.99451	0.4
149.04408	0.6
152.01086	0.6
153.12750	3.6
155.14334	0.4
161.04449	1.8
179.05507	2.5
181.12267	0.5
189.18567	0.4
197.07217	0.4
198.07837	0.4
199.13330	6.3
200.13681	0.4
207.13824	1.0
209.10797	0.6
215.32214	0.4
225.14865	2.3
226.07227	0.3
227.11861	1.6
243.06516	0.5
243.15945	1.3
255.11298	2.0
257.17603	0.5
267.11414	0.5
285.12469	6.5
286.12665	1.0
317.14880	1.8
329.11398	1.7
387.20340	1.7
405.21268	100.0
406.21582	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01751	1.8
57.03320	1.2
58.00468	0.9
58.28791	0.4
59.01250	25.6
60.01596	0.5
61.98693	0.6
71.01253	18.4
72.99178	1.8
73.02812	3.3
78.80200	0.4
83.01257	2.7
85.02817	7.8
85.06458	2.5
87.00751	1.6
89.02315	9.8
91.69964	0.4
93.97587	0.4
95.01275	2.0
97.02779	0.4
97.06465	0.6
99.00756	3.1
101.02318	13.6
113.02330	7.2
113.09606	0.4
119.03389	4.6
123.00874	0.4
127.11114	0.4
155.14323	6.2
161.04451	1.2
161.18738	0.4
177.04190	0.4
179.05573	0.7
181.12309	0.7
181.14517	0.4
181.15863	2.4
199.13332	15.2
200.13756	0.9
200.31732	0.5
203.60609	0.4
225.14905	4.3
229.15829	0.6
245.17638	0.6
279.71323	0.4
337.40414	0.5
387.20236	1.3
405.21268	100.0
406.21582	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
56.25396	0.7
57.03313	2.7
58.00451	2.9
59.01251	70.9
60.01585	1.3
61.98685	2.8
67.01782	1.1
68.72219	0.6
69.03327	25.5
71.01253	52.1
71.78978	0.6
72.99175	4.3
73.02806	4.6
74.98958	2.6
75.00719	1.1
79.01765	3.7
81.03323	1.7
83.01256	4.4
85.02821	11.3
87.00739	1.9
87.04388	0.6
89.02319	36.8
90.02648	0.8
93.02765	1.2
93.03333	15.8
95.01258	5.7
96.95872	1.1
97.02829	16.0
97.06472	1.1
98.03149	0.7
99.00743	2.1
100.49068	0.6
101.02322	25.8
101.03008	1.3
107.01271	14.3
108.02071	4.8
109.02855	4.1
113.02325	16.1
113.05962	3.5
117.03383	0.7
119.02589	1.3
119.03390	17.3
119.04816	1.5
120.99525	3.7
121.02827	4.3
123.00774	7.3
123.04385	0.8
123.46986	0.6
125.02337	40.0
126.02706	0.9
127.07526	0.8
127.11159	1.5
131.03380	1.9
133.02856	1.3
134.03607	1.1
135.00793	1.1
135.04395	1.9
136.01538	3.2
136.99013	2.9
137.02325	4.0
139.11179	1.3
142.01927	0.7
143.03326	2.2
145.02849	1.7
148.83821	0.7
149.02362	1.9
149.04457	1.7
150.03125	0.7
151.00273	30.3
151.03873	2.3
152.00905	2.2
152.86430	0.8
153.01830	8.3
153.05441	2.1
153.12770	8.7
159.04405	0.7
161.02271	1.5
161.04413	3.0
163.03937	3.6
165.01773	1.3
166.06247	1.0
168.04181	1.3
169.01277	1.2
169.13757	0.8
173.02386	4.7
174.03104	2.8
175.03917	0.9
176.00978	0.9
177.00746	0.6
177.01860	6.4
179.03496	0.9
179.05484	5.0
181.12260	1.3
183.10172	0.7
185.11790	0.7
187.03894	0.9
191.03568	1.0
192.04066	0.9
193.01317	2.2
193.04854	1.3
197.05969	2.9
199.07524	2.9
199.13377	6.3
207.06439	1.8
208.03667	1.8
213.05435	0.9
214.02629	0.8
223.06001	2.8
225.14923	5.7
227.03278	0.9
228.02446	3.8
238.02934	1.8
242.05803	38.4
243.06569	28.6
243.12125	1.1
244.06932	2.3
255.02832	1.0
257.17407	0.8
271.02417	1.3
285.07697	0.9
297.06107	6.6
300.02628	1.9
301.03476	2.7
316.03989	5.4
345.22787	0.7
345.29913	0.7
375.14371	0.8
387.20129	1.4
401.68741	0.7
405.12149	15.4
405.21164	100.0
406.11713	1.5
406.21506	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02725	0.4
57.03315	1.8
58.00467	0.5
58.59472	0.6
59.01247	54.6
60.01592	0.7
61.31527	0.4
71.01244	7.3
71.04901	0.7
71.37923	0.9
72.99162	1.1
73.02827	7.3
83.01216	0.5
85.02809	2.3
86.67353	0.5
87.00730	2.3
87.04382	1.3
89.02316	4.5
93.03336	0.7
93.17242	0.5
95.04883	0.7
97.06444	0.7
99.00785	0.8
99.04385	1.6
101.02325	5.6
107.04893	0.6
108.02071	0.6
109.02801	0.8
113.02319	3.0
113.02969	0.5
119.03358	1.7
120.99552	1.7
123.00803	0.8
123.08023	1.1
125.02328	1.0
131.43059	0.5
135.04346	0.8
137.09625	0.8
138.03136	0.7
139.07547	0.7
139.11179	18.4
140.11511	0.9
143.03313	0.7
152.08299	0.6
160.06213	0.7
161.02315	0.7
161.04480	1.4
161.07094	1.1
163.03883	0.6
163.11208	0.5
165.01872	0.8
165.09175	0.9
167.10703	1.6
169.12234	0.7
175.08684	0.8
177.05492	1.1
179.05487	0.9
180.53331	0.5
181.12259	13.1
183.10182	27.7
184.10497	1.4
187.09663	1.5
189.06624	1.8
193.04904	0.6
196.93661	0.5
199.13316	7.4
203.08189	0.8
207.10213	0.7
208.03809	0.6
223.05927	0.8
225.11240	11.6
225.14735	1.0
226.11760	0.7
227.12788	1.2
229.09673	0.6
231.12357	0.6
243.12332	100.0
244.12630	7.0
245.13904	3.3
250.69278	0.5
257.13910	1.7
267.12302	0.7
281.09341	1.9
285.13428	26.4
286.13745	2.0
287.15051	1.6
293.04590	0.9
293.09183	1.2
295.07144	1.3
296.07904	0.8
303.14276	0.5
305.11526	2.7
311.10385	9.3
312.10843	0.7
315.14450	4.0
325.04752	0.8
329.11530	3.1
345.15530	27.3
346.15695	2.2
379.19144	0.5
405.17392	6.4
405.25485	5.5
406.17932	0.7
406.25351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45375	0.7
57.03326	1.4
59.01249	100.0
60.01587	1.2
62.01394	0.7
63.49315	0.7
69.38023	5.9
71.01258	3.2
73.02818	1.3
75.00737	2.6
89.02318	2.7
99.04401	2.2
101.02334	1.5
109.06488	0.7
111.04434	0.9
113.02313	1.1
115.41114	0.7
117.01903	0.8
119.03381	1.1
120.99547	1.1
135.02884	6.9
143.55034	0.7
147.81718	0.7
151.00290	1.8
152.01109	0.7
165.12761	2.0
168.31815	0.8
177.04094	0.7
181.12282	3.7
195.36301	0.7
207.13814	2.6
209.11751	8.0
225.11292	13.1
225.14737	4.4
226.15047	0.8
227.12843	41.8
228.13197	2.6
243.12332	1.6
251.12874	1.1
269.13898	8.0
270.14215	0.9
272.03271	6.1
273.03995	1.6
287.14999	95.6
288.15347	6.9
346.29935	0.7
405.17612	48.9
405.24664	3.1
406.17932	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	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73014	1.9
55.80173	2.0
57.03327	2.3
58.00465	2.4
59.01247	100.0
61.98709	3.5
61.99396	2.0
70.83300	5.0
71.01250	64.5
71.12135	1.8
72.99170	8.8
73.02816	7.9
74.70492	2.2
74.98965	3.0
75.00749	3.9
83.01264	4.2
85.02802	13.2
87.00739	5.9
87.04391	3.2
89.02312	59.8
95.01273	5.1
96.95916	3.1
98.02354	10.5
101.02313	37.3
109.02788	4.2
113.02333	26.5
115.00299	2.3
119.03381	26.1
120.99530	7.0
121.02820	2.9
123.04442	2.7
124.53605	2.1
125.02271	2.1
131.03387	5.3
136.99016	2.9
139.07529	5.0
143.03368	5.3
143.10660	6.7
149.31067	2.1
151.38303	2.2
155.01613	4.9
161.04428	9.3
173.04539	3.3
179.03319	2.8
179.05569	8.9
183.10211	11.3
197.11765	4.8
216.33221	2.2
217.01384	2.4
221.06671	4.3
225.11194	8.4
225.14905	2.2
233.08685	2.1
243.02847	3.1
243.16028	12.2
244.74869	2.0
255.12506	2.9
285.12979	3.1
299.99460	2.4
317.10141	2.6
319.17398	3.1
329.11374	2.3
335.23572	2.2
336.38425	2.4
363.16464	3.0
401.12152	2.4
401.87527	2.2
405.04514	4.9
405.12311	3.1
405.17288	3.9
405.21530	26.4
406.21729	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32677	0.4
55.98126	0.4
57.03318	1.8
59.01250	45.5
61.85613	0.4
69.03306	0.5
71.01249	4.6
71.04886	0.5
71.50928	0.6
71.51312	0.6
72.99181	0.7
73.02816	4.1
75.00743	0.5
80.87009	0.4
85.02810	1.8
87.00739	3.5
87.04408	0.7
89.02321	2.5
95.01254	0.7
95.04917	0.5
97.06498	0.5
99.00753	0.8
101.02321	4.4
113.02293	1.4
120.99503	0.8
123.08080	0.4
125.02364	0.6
125.09608	0.9
127.34234	0.4
137.02432	0.4
139.07608	1.0
139.11185	22.9
140.11491	1.1
141.09119	0.8
161.04439	0.7
163.11224	0.9
165.09087	1.0
167.10699	0.6
169.01297	0.5
169.12294	0.9
171.10135	0.6
181.12257	13.4
182.12619	0.9
183.10182	30.1
184.10536	1.6
199.13345	4.8
225.11272	11.3
225.14784	0.9
226.11693	0.8
227.12868	1.2
231.12341	1.1
243.12343	100.0
244.12674	7.5
257.14026	1.0
267.07755	0.5
271.86252	0.4
272.03284	1.1
273.04001	0.5
281.09348	1.0
285.13434	27.8
286.13721	2.6
287.14963	3.1
293.09262	1.0
295.07437	0.5
311.10379	4.5
312.10837	0.8
315.14465	5.8
329.11566	2.1
345.15527	23.9
346.16022	2.4
371.58548	0.4
405.12054	1.1
405.17123	8.2
405.25760	2.7
406.17807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61295	0.8
55.72855	0.7
57.03327	1.3
59.01248	19.0
62.28500	0.9
63.96133	1.1
66.71172	0.8
71.01248	8.3
72.99174	2.1
73.02814	2.7
74.98965	3.6
75.00738	2.3
83.01255	1.0
83.04879	1.0
85.02800	2.0
87.00756	1.8
89.02304	4.7
95.01227	1.4
96.95902	1.3
99.00740	1.1
101.01711	0.8
101.02306	5.1
104.63594	0.7
107.12706	0.7
108.04453	0.7
109.02850	1.0
111.08170	0.9
113.02296	4.4
117.97263	0.9
119.03402	1.7
119.04945	1.1
120.25049	0.8
120.99496	4.0
121.02846	0.8
122.05999	2.0
125.02390	1.5
132.04390	1.0
135.04382	1.6
136.99014	3.4
137.02391	1.3
148.03954	2.7
150.05504	7.4
151.00404	1.1
155.01610	9.1
160.01599	1.0
160.03955	1.4
161.04491	2.4
162.05569	1.1
163.03905	1.3
169.01486	1.1
178.04996	2.1
179.03371	1.8
181.04945	1.1
183.10197	1.8
193.03522	0.9
195.06660	0.9
200.01073	1.2
200.07190	0.9
210.05429	1.3
211.06375	1.0
212.10849	1.4
216.00603	2.9
225.10738	0.9
226.04916	2.3
226.07222	1.5
227.05864	2.4
227.08032	1.4
228.06740	2.1
237.06660	1.3
238.07257	1.7
239.05850	1.2
240.05319	1.7
241.07350	1.2
243.03163	1.4
243.07623	0.9
243.11282	7.2
244.00139	2.4
244.06062	1.0
251.08205	1.6
252.08922	1.1
253.09775	2.2
255.07722	3.3
255.11449	3.4
256.06168	2.0
256.09760	1.8
257.06808	1.4
257.09308	2.7
258.06516	1.5
265.06107	1.3
265.09778	3.2
266.06982	3.6
267.07794	10.9
267.11075	6.9
268.09894	1.4
269.09155	2.0
271.99545	9.5
273.00369	4.2
273.08743	2.3
275.13101	1.1
278.06921	2.6
279.07748	2.5
281.09290	27.3
282.09671	2.4
283.07452	1.5
283.10919	4.8
285.12463	8.4
286.10846	2.4
287.10461	3.0
292.08380	1.7
293.09274	15.1
294.09726	1.7
295.07263	9.6
296.07965	12.8
297.08240	1.1
299.10153	1.3
301.11899	1.2
304.86478	1.1
311.10349	100.0
312.10657	8.5
315.01462	1.3
317.06982	2.6
329.11401	26.7
330.11713	3.3
331.09100	1.5
343.09064	1.1
343.12964	3.1
355.09323	1.0
373.10538	5.0
387.11920	6.1
405.04565	5.3
405.12488	23.1
405.25308	5.1
406.05444	1.5
406.13281	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	405.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01249	7.3
63.96091	0.4
69.18385	1.8
69.18812	2.4
71.01243	3.4
72.99168	1.4
73.02818	1.1
75.00750	0.8
77.61949	0.4
79.95612	0.4
81.03313	0.4
83.01280	0.7
85.02822	1.7
87.00775	0.5
88.02705	0.3
89.02317	1.8
93.03326	0.6
95.04913	3.4
96.95881	0.8
100.61472	0.4
101.02338	2.4
101.95421	0.4
102.98538	0.4
108.02011	0.4
108.04433	0.4
109.02802	0.5
113.02326	1.7
119.03374	0.8
119.08588	0.5
120.99541	2.2
122.03622	0.5
125.02309	0.9
135.04420	0.7
136.99017	1.1
137.02367	0.5
137.09587	0.5
148.03912	0.7
150.05515	1.0
151.00256	1.6
152.01019	0.9
155.01550	0.6
159.02939	0.4
160.03894	0.5
161.04504	1.5
162.05350	0.5
163.03922	0.6
167.03523	0.5
173.04454	0.7
178.04939	0.5
178.99791	0.4
179.03474	0.7
181.08646	5.3
187.18785	0.4
193.03535	0.6
195.06781	0.6
195.13553	0.4
198.05592	0.7
198.26648	0.4
199.13542	0.4
200.07011	0.8
211.06148	0.5
211.08867	0.5
212.10822	0.6
216.00894	0.4
222.09218	0.5
223.08252	1.6
224.10785	0.5
225.11224	0.5
226.05038	1.1
226.07188	0.4
227.05820	1.8
227.08142	1.1
228.06770	2.1
237.06636	1.4
238.07428	1.4
239.05859	0.8
239.08188	1.1
240.05270	1.1
241.07332	1.6
243.07686	0.6
243.12151	1.2
245.04620	0.4
249.06458	0.6
251.08372	0.6
252.08965	0.8
253.07329	1.1
253.09810	2.4
254.07043	0.5
255.07652	2.6
255.11366	1.2
256.06091	1.4
256.09805	2.1
257.06851	1.1
257.09341	0.5
258.06476	1.5
263.08228	1.1
265.06198	1.8
265.09760	3.5
266.06747	3.5
267.07730	9.9
267.11307	2.8
268.09818	1.3
269.09222	1.3
271.99655	2.7
272.04132	0.5
273.00253	1.1
273.08917	1.9
275.08249	0.7
277.06064	0.8
278.06900	1.7
279.07825	2.2
280.08310	1.0
281.09308	28.3
282.09668	2.6
283.07300	1.1
283.10901	4.4
285.09723	0.7
285.12485	6.4
286.10721	2.7
291.07761	0.9
292.08453	0.8
293.04474	1.4
293.09311	13.0
294.09619	1.3
295.07266	9.6
296.07993	13.1
297.08331	1.6
299.10229	0.9
299.13367	0.4
301.12100	0.8
311.10364	100.0
312.10733	9.0
325.04550	0.6
327.06085	0.6
328.07040	0.6
329.11407	23.3
330.08270	0.5
330.11728	2.8
343.08371	0.8
343.12875	1.0
373.10425	5.3
374.10645	0.6
387.11896	0.9
405.04468	1.9
405.12100	2.5
405.17148	0.7
405.25439	1.0
406.05460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01249	1.3
61.98699	0.7
65.00186	0.7
69.03325	0.4
70.16940	0.6
70.17331	0.3
80.02560	0.4
89.02290	0.3
91.01767	15.0
92.02097	0.6
94.98378	0.2
95.01258	1.0
97.99147	0.2
107.01278	0.4
107.04903	0.6
108.02051	17.7
109.02882	3.9
111.00800	0.3
121.02831	1.4
123.00760	5.4
124.01525	0.9
125.02296	0.3
129.84491	0.2
135.00772	14.1
137.02347	3.7
152.01053	18.0
153.01462	0.7
176.29416	0.2
197.06042	1.3
199.07556	0.5
213.05472	1.1
215.07076	0.7
218.60091	0.2
241.05203	0.3
242.05864	0.3
243.06586	100.0
244.06924	7.9
405.11823	6.0
406.12112	0.8
426.79965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02269	1.0
55.01755	1.1
59.01261	2.7
59.98514	0.5
61.98714	1.1
68.99672	0.8
69.03325	63.3
69.99072	1.2
69.99484	1.8
70.03672	0.9
71.01259	1.8
79.01758	13.8
79.02207	0.8
81.03330	3.9
83.16109	0.6
85.02812	2.3
89.02293	0.5
90.52150	0.5
91.01765	5.5
93.03344	0.5
95.01251	7.5
95.87997	0.5
97.02831	38.0
98.03194	0.7
98.19886	0.6
99.17097	0.6
99.78130	0.5
101.02314	1.6
107.01266	43.9
107.04872	0.7
108.02065	12.8
108.03239	0.6
109.02842	7.9
113.02335	1.5
121.02814	3.8
123.00772	16.5
123.04408	0.8
125.02334	80.7
126.02689	3.4
126.68562	0.7
133.02824	1.6
134.03685	0.9
135.00777	25.0
135.04431	2.2
136.01598	5.7
137.02357	4.0
149.02350	2.1
151.00270	76.0
152.01074	12.9
153.01837	27.1
161.04459	1.0
162.70804	0.6
163.03923	7.1
165.01920	0.9
175.03915	1.0
177.01862	9.1
179.03479	0.8
181.65703	0.6
189.01770	0.9
191.03470	0.8
197.06023	1.8
198.06805	1.2
204.34132	0.6
207.02921	1.4
225.05385	1.0
242.05807	100.0
243.06555	60.9
243.12248	2.2
244.06938	4.7
285.07733	4.3
297.06085	6.7
329.13763	0.6
405.11880	50.9
406.12146	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	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02272	0.6
59.01247	8.8
67.01736	0.9
69.03323	55.4
69.44969	2.6
70.03667	0.7
71.01254	5.6
73.02818	1.3
75.29514	0.5
79.01752	14.9
80.02118	0.6
81.03336	3.4
83.01261	0.7
85.02837	3.5
87.00777	0.7
89.02328	3.6
93.03342	1.6
95.01258	6.6
97.02826	32.6
101.02325	3.4
107.01270	47.4
108.02095	8.5
109.02847	5.5
113.02318	2.5
113.14281	0.6
119.03393	1.8
119.04871	0.9
120.99510	0.7
121.02846	5.9
123.00768	12.0
123.04421	1.4
125.02334	65.4
126.02673	2.4
133.02846	2.0
134.03581	1.1
135.00760	2.4
135.04431	1.7
136.01559	7.3
136.08054	0.6
137.02348	5.8
145.02859	1.2
149.02373	3.6
150.03142	0.9
151.00269	70.7
151.03867	2.0
152.00859	3.5
153.01839	18.0
154.02135	0.7
161.02315	0.9
162.03072	0.9
163.03922	9.7
169.06516	1.2
175.04004	0.6
177.01843	12.1
185.14470	0.5
189.01871	0.9
191.03401	0.8
194.02129	0.6
197.06055	4.8
207.02950	1.3
213.05466	0.9
215.07007	1.0
219.02843	1.0
225.14752	0.6
242.05807	100.0
243.06543	57.9
244.06873	4.6
285.07645	6.2
297.06067	18.3
298.06531	1.9
316.03964	0.8
354.69879	0.5
405.11847	16.9
405.16354	1.3
405.20706	7.6
406.12259	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	405.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02272	0.6
59.01247	8.8
67.01736	0.9
69.03323	55.4
69.44969	2.6
70.03667	0.7
71.01254	5.6
73.02818	1.3
75.29514	0.5
79.01752	14.9
80.02118	0.6
81.03336	3.4
83.01261	0.7
85.02837	3.5
87.00777	0.7
89.02328	3.6
93.03342	1.6
95.01258	6.6
97.02826	32.6
101.02325	3.4
107.01270	47.4
108.02095	8.5
109.02847	5.5
113.02318	2.5
113.14281	0.6
119.03393	1.8
119.04871	0.9
120.99510	0.7
121.02846	5.9
123.00768	12.0
123.04421	1.4
125.02334	65.4
126.02673	2.4
133.02846	2.0
134.03581	1.1
135.00760	2.4
135.04431	1.7
136.01559	7.3
136.08054	0.6
137.02348	5.8
145.02859	1.2
149.02373	3.6
150.03142	0.9
151.00269	70.7
151.03867	2.0
152.00859	3.5
153.01839	18.0
154.02135	0.7
161.02315	0.9
162.03072	0.9
163.03922	9.7
169.06516	1.2
175.04004	0.6
177.01843	12.1
185.14470	0.5
189.01871	0.9
191.03401	0.8
194.02129	0.6
197.06055	4.8
207.02950	1.3
213.05466	0.9
215.07007	1.0
219.02843	1.0
225.14752	0.6
242.05807	100.0
243.06543	57.9
244.06873	4.6
285.07645	6.2
297.06067	18.3
298.06531	1.9
316.03964	0.8
354.69879	0.5
405.11847	16.9
405.16354	1.3
405.20706	7.6
406.12259	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	405.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.3
59.55310	0.3
69.79197	1.5
71.01254	1.9
71.04874	0.2
73.02862	0.3
79.95602	3.3
79.95970	0.3
80.96399	1.9
83.01273	0.4
85.02816	1.0
86.07839	0.2
87.00751	0.8
89.02280	0.4
93.03342	0.7
96.95891	21.0
98.20457	0.3
99.00811	0.3
101.02323	1.9
113.02318	0.9
119.04918	100.0
120.05251	4.8
120.06064	0.5
125.02415	0.3
138.97017	1.3
143.03470	0.3
150.96881	0.5
160.30270	0.3
163.03922	69.7
164.04253	3.5
165.25249	0.3
166.96548	1.3
175.93065	0.2
180.98174	0.4
241.00204	67.8
242.00528	2.2
265.67352	0.3
266.37027	0.3
378.03195	0.3
405.04932	11.1
406.05099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
59.01257	2.3
61.98696	1.2
63.04553	0.5
74.72299	0.5
79.95605	25.1
80.96378	2.6
83.04869	0.7
93.03341	3.1
95.04852	0.6
101.02305	0.5
107.04875	1.9
119.04941	0.8
121.02836	7.5
121.06467	1.4
123.04404	1.0
130.88794	0.4
134.03604	2.9
135.04428	2.8
149.05957	1.1
159.11327	0.5
162.03122	3.1
175.03868	0.6
175.07487	0.5
181.06425	0.5
191.10670	1.7
209.05945	0.8
210.06766	0.6
211.07576	1.5
222.06805	1.7
223.07562	1.0
225.05495	3.4
225.09016	1.0
226.06168	0.6
227.07028	2.3
237.09195	0.8
237.12814	0.6
239.07086	3.2
240.07854	5.9
241.08412	1.3
253.08626	2.2
254.09439	2.2
265.12332	1.5
268.10913	1.0
269.11798	2.4
275.10764	0.6
281.11688	0.9
282.12546	1.5
286.08383	0.7
293.11844	5.4
295.13577	0.7
297.14902	2.1
303.32794	0.5
309.11368	1.0
310.11996	2.9
325.14429	74.2
326.14749	8.6
405.10107	100.0
406.10400	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
61.98700	100.0
69.44228	1.6
71.01230	0.6
72.99201	0.2
87.00771	0.7
97.41759	0.2
99.00739	0.3
104.23244	0.2
113.02334	0.3
142.75439	0.2
159.02986	0.2
296.59387	0.2
365.67688	0.3
392.48682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
61.98705	2.0
71.01248	1.1
72.99171	0.5
79.95599	3.0
80.96384	1.8
85.02811	0.6
87.00745	0.5
96.95886	17.6
101.02303	1.4
113.02374	0.9
119.04913	100.0
120.05256	3.9
138.11237	0.4
138.96988	1.2
156.53017	0.4
163.03915	61.9
164.04259	3.0
169.43605	0.5
235.20570	0.5
241.00198	41.7
242.00468	1.6
405.04556	4.0
405.09439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03325	5.4
58.00480	3.0
59.01247	100.0
60.01565	2.3
61.98698	6.2
64.69591	1.9
71.01251	25.9
71.04876	4.3
72.99171	14.8
73.02819	9.7
75.00735	4.7
83.01255	2.8
85.02823	12.1
87.00738	8.7
87.04413	2.7
89.02306	12.3
95.01269	3.4
95.04895	2.9
97.02812	2.2
101.02345	13.7
109.02842	5.5
111.00762	3.9
113.02332	6.2
119.03387	7.3
119.08552	3.2
121.06519	2.6
123.04404	3.1
123.08075	2.9
125.02313	4.2
134.03590	5.1
135.04408	16.6
135.07999	3.1
135.18587	2.1
136.04747	3.0
137.02322	4.5
137.09621	2.7
139.00267	7.4
147.04419	4.5
151.03918	4.0
161.02408	3.1
161.04433	3.8
161.09612	6.5
163.03874	3.3
163.07533	4.1
165.92891	2.4
165.94292	2.3
179.03404	3.0
179.10660	9.4
181.08568	7.8
188.04724	3.6
197.11752	48.5
198.12140	2.8
223.09563	13.8
237.09203	12.0
238.09439	2.7
241.10785	70.2
242.11026	6.2
243.10184	2.4
253.08752	11.1
281.08026	13.1
283.11856	24.5
285.17038	3.2
299.09225	14.9
309.08682	3.1
313.12912	7.6
315.08731	6.6
325.07062	3.0
327.09750	7.8
328.09476	5.7
340.09396	2.6
343.08142	5.2
343.14420	35.1
361.09244	6.3
373.08920	3.1
373.13065	3.1
388.11392	3.1
403.10260	8.5
403.15060	17.8
403.23642	20.6
404.14703	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79709	0.7
55.01742	0.8
57.03315	2.0
58.99453	0.8
59.01247	58.7
59.11054	0.8
60.01575	0.9
61.98686	2.0
67.44260	0.7
71.01248	9.2
71.04912	0.9
72.99170	7.3
73.02806	2.7
74.98954	0.9
75.00736	2.5
80.04915	1.1
84.74560	0.8
85.02829	1.4
89.02308	1.3
95.14870	0.7
97.06458	1.0
99.04411	2.2
101.02305	2.1
104.04908	1.0
108.04459	0.9
113.02330	1.3
115.00244	7.7
117.03333	1.3
118.97957	1.2
119.04893	0.7
122.06001	3.8
130.02844	1.1
132.04436	8.2
133.01299	2.8
134.03624	4.2
135.02875	1.6
135.04442	4.7
136.03879	1.0
137.02322	1.9
137.09612	1.0
147.03156	2.0
148.03923	3.6
150.05486	2.2
151.00208	1.1
151.03889	0.8
153.09041	1.2
155.62039	0.8
158.02339	3.2
160.03951	5.1
162.05473	1.8
165.12810	1.1
166.02678	1.5
175.02614	4.4
176.03432	10.7
179.03415	1.1
181.04971	1.8
181.08591	1.1
184.07587	1.1
190.05037	8.6
191.05588	1.8
192.06630	1.2
197.11870	1.6
198.21341	0.9
200.10945	1.2
204.02922	5.2
207.13875	1.2
209.11742	4.2
211.12386	1.5
212.05746	1.8
212.10754	1.4
213.06465	1.5
215.11824	1.5
223.08542	1.8
224.09499	3.8
225.14844	2.5
226.07457	1.9
227.08243	5.9
227.12851	27.6
228.13109	1.3
234.04062	2.9
237.06848	0.9
237.09134	5.3
238.07376	1.1
239.08228	1.7
239.11827	7.6
240.08640	1.1
240.10333	2.3
241.01590	1.0
241.09979	4.1
243.07561	1.3
243.11362	2.9
252.05251	1.1
253.06172	11.2
253.08653	1.2
254.06693	1.6
255.07726	3.3
255.11394	3.4
256.05215	0.7
256.08444	1.8
265.06387	0.9
265.09747	0.9
266.06967	2.1
267.07663	3.3
268.08481	5.9
269.09467	4.1
269.13910	5.3
270.14313	1.1
271.07108	2.9
281.09186	4.8
283.07660	1.1
283.10873	23.6
284.11328	2.3
285.04037	2.6
285.13641	1.7
285.16919	1.7
287.14987	100.0
288.15329	8.2
294.06409	2.7
295.06848	0.8
297.05118	2.8
299.06366	0.9
299.09457	4.2
309.08746	14.2
310.09079	1.5
315.08777	1.1
315.13303	1.6
327.09830	29.1
328.10123	3.3
341.11371	4.6
342.07382	2.1
343.08182	8.2
343.14032	1.2
344.08640	1.3
353.07816	3.0
359.12436	4.1
361.09247	4.2
371.08810	21.0
372.09195	1.4
385.10385	4.1
385.22345	1.4
388.11633	1.3
403.11328	81.0
403.23154	5.1
404.11649	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	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29261	2.0
57.03326	2.7
59.01255	13.2
61.98710	3.0
64.27760	2.1
69.18578	17.8
71.01249	8.5
72.99178	2.9
73.02813	5.3
73.57504	1.8
75.00724	5.6
79.96469	1.7
84.13016	1.7
85.02800	3.2
89.02277	3.5
91.03501	2.0
101.02332	3.6
108.04395	3.7
113.02342	2.2
122.06018	4.4
132.04446	11.3
140.63971	1.7
145.21376	1.9
150.05510	3.8
160.03925	7.1
161.04501	2.6
162.05476	3.0
175.02650	5.6
176.03436	9.7
176.07021	2.8
183.10172	8.2
190.05064	9.0
197.11633	3.1
204.02982	6.6
212.05978	3.0
212.10709	2.8
215.11844	2.3
223.08713	2.8
224.09471	4.3
225.06525	3.6
226.07370	2.8
227.08145	6.5
234.03992	3.1
235.04738	1.8
237.09627	5.1
239.11874	18.4
240.10358	3.5
240.12424	2.0
241.10335	6.4
243.11662	1.9
250.07390	1.8
253.06180	14.0
253.09712	2.7
254.06813	3.7
255.07820	2.8
255.11270	3.8
266.06879	2.0
267.07718	5.2
268.08478	8.1
271.07202	2.2
281.09256	5.3
283.10883	44.5
284.11230	5.5
294.06482	3.3
309.08768	19.2
327.09848	38.2
328.10013	4.6
341.11426	5.7
353.07758	4.4
359.12430	6.4
371.08826	45.1
372.08984	5.2
385.10391	3.7
403.11411	100.0
403.23376	5.8
404.11752	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	25.9
61.98703	12.1
71.01248	7.8
71.50858	1.6
71.51282	2.3
72.99184	2.0
73.02803	6.0
74.33054	1.5
75.00735	2.1
80.04922	2.1
81.95327	2.1
85.02828	2.9
87.00749	3.4
89.02320	6.5
93.03304	1.9
99.04369	2.2
101.02322	3.7
108.04436	2.3
109.02835	3.8
113.02307	2.8
118.97993	3.9
119.03396	2.0
121.02825	2.5
122.06021	10.9
124.07590	2.9
125.02348	5.7
130.02837	2.3
132.04439	21.3
135.04396	4.2
137.02321	6.9
147.03139	6.1
150.05505	6.5
155.58344	1.8
158.02357	5.9
160.03918	14.5
161.04549	2.4
162.05545	5.7
169.01378	2.7
174.05481	3.6
176.03468	14.9
176.07077	2.7
179.03362	4.1
190.05035	18.8
191.05553	2.4
196.11301	1.9
211.08710	2.4
211.12341	6.1
212.05859	3.8
212.10765	4.3
213.06653	2.4
215.11803	7.4
223.08653	6.1
224.09483	15.8
226.07329	4.7
227.08157	4.4
234.03999	4.4
235.04771	2.9
237.10187	3.1
239.04446	2.4
239.08096	5.4
239.11830	33.6
240.10158	6.2
240.12375	2.2
241.09811	8.9
252.05267	2.2
253.06161	34.8
253.09052	2.5
253.09677	1.8
254.06702	3.6
255.07678	3.3
255.11301	7.6
255.16069	3.3
265.09842	3.0
266.07675	2.2
267.07831	11.4
268.08536	13.3
281.09268	7.3
283.10876	80.1
284.11139	6.7
285.13498	4.0
286.84851	1.9
300.02280	2.2
309.08832	19.5
310.09091	2.5
327.09839	100.0
328.06619	2.0
328.10138	12.2
353.07910	3.9
359.12476	4.8
371.08810	76.1
372.09097	7.4
385.22000	3.8
403.11319	47.9
403.23450	13.2
404.11786	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98629	2.0
59.01253	24.8
61.98683	8.8
69.15735	3.0
69.16138	20.9
71.01256	6.0
72.99204	2.2
73.02809	3.9
80.04920	4.0
89.02310	3.7
92.33215	2.1
101.02320	3.9
111.79118	1.9
113.31487	2.3
118.97968	6.5
122.06004	6.9
124.07558	2.4
125.02364	2.1
130.02861	3.4
132.04427	19.3
147.03160	2.4
150.05409	2.5
153.09055	3.7
158.02368	6.4
160.03922	9.6
161.04466	4.1
162.05493	5.3
174.05598	2.8
176.03452	9.8
190.04990	16.9
191.05544	3.0
197.11702	2.5
211.12251	3.2
212.05811	2.8
212.10724	3.9
215.11818	6.3
223.08682	3.3
224.07500	2.9
224.09464	14.7
225.08017	2.3
226.07431	3.6
227.08287	8.0
237.10144	2.2
238.08762	2.5
239.08276	2.6
239.11804	30.3
240.08466	2.5
240.10336	6.3
241.09627	11.8
250.07536	2.6
253.06161	26.7
254.06651	3.2
255.07726	4.3
255.11301	9.6
265.09787	2.9
267.07761	8.6
268.08514	10.6
281.09265	9.6
283.10883	73.4
284.11169	6.4
287.10306	2.7
309.08807	24.0
310.08893	3.4
315.13669	2.7
327.09857	81.2
328.10263	8.2
341.11490	3.4
353.07767	2.5
359.12314	2.4
371.08823	100.0
371.13547	4.8
372.09265	12.5
403.11301	40.7
403.15985	4.2
403.23190	4.8
404.11917	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	402.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06119	0.5
58.06037	0.5
59.01244	4.0
61.98702	100.0
71.01250	3.8
73.02828	1.3
76.31667	0.5
85.02821	2.0
89.02343	2.7
98.20598	1.4
101.02304	3.1
105.58866	0.5
113.02367	1.7
115.05431	1.7
119.03377	0.9
119.49733	0.5
125.08865	0.6
131.03419	0.6
159.04417	12.6
161.04532	1.9
162.04810	0.6
176.30722	0.6
177.09140	0.9
179.05569	1.5
212.55838	0.6
219.77359	0.6
240.08878	1.2
241.08319	0.7
269.10327	1.3
270.10663	2.8
290.60254	0.6
339.10913	2.5
402.11557	0.7
403.12469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01760	1.4
57.03325	5.3
58.00465	2.5
59.01247	19.6
60.95602	1.1
61.98721	1.2
69.03317	1.5
71.01250	37.4
71.21066	1.1
72.99179	10.2
73.02819	3.7
74.23145	1.1
75.00739	29.0
77.68599	1.1
83.01270	1.6
83.04870	1.5
85.02826	16.9
87.00745	15.8
87.04390	2.2
89.02322	9.1
93.03342	3.6
93.83334	0.9
95.01225	1.6
95.04911	1.8
96.11014	1.0
97.02846	1.4
99.00749	5.0
99.04369	1.1
99.12135	1.1
101.02338	4.5
103.00243	2.7
105.01806	30.2
109.02818	2.1
111.04388	2.0
113.02319	10.8
113.05957	20.8
115.00275	2.0
116.01038	2.1
117.01765	1.3
119.03363	1.9
121.02843	45.5
122.03163	2.5
123.08035	1.1
125.02317	1.6
125.05946	2.0
129.01813	1.6
133.02837	1.3
135.02885	11.0
135.04405	9.4
135.06538	1.7
137.02313	2.0
137.09619	2.0
138.06737	3.7
151.03839	1.1
153.09111	11.2
161.01050	1.1
161.02347	4.3
161.04506	3.0
162.02704	1.7
163.02736	1.3
163.07574	1.2
163.11240	2.2
165.01755	1.3
169.01266	1.3
173.04453	5.1
175.02388	7.0
177.01820	1.1
179.03407	1.4
179.10681	7.1
181.08653	2.4
190.32083	1.0
191.05551	3.6
221.11781	10.5
225.14963	5.5
239.12891	3.4
239.62991	1.1
249.15050	1.5
283.15543	2.9
301.00278	1.1
311.20886	1.0
319.35635	1.1
348.23154	1.1
371.17169	1.6
383.16965	1.9
387.11560	1.0
401.13535	6.8
401.18164	100.0
402.18484	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	401.1452
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01764	4.6
57.03305	3.5
58.00465	1.3
59.00958	1.7
59.01245	29.6
69.03314	2.2
71.01250	68.8
71.27148	1.9
72.99162	1.9
73.02816	28.8
74.03184	0.9
75.00735	2.2
81.27988	0.9
83.01250	10.2
85.02821	28.3
87.00738	3.5
89.02311	18.5
93.09393	0.9
95.01254	2.4
97.02806	4.1
99.00755	16.0
99.04408	1.2
100.50202	1.2
101.02318	54.6
102.02675	1.0
110.20870	0.9
113.02322	28.5
113.03085	2.1
115.03905	3.4
125.02348	8.6
129.01810	1.0
131.03391	4.0
134.08768	0.9
143.03410	5.4
149.04503	2.0
159.02887	5.4
161.04457	51.1
162.04750	1.7
191.05550	2.1
233.06572	8.7
269.10287	100.0
269.43143	1.0
269.71448	1.1
270.10620	7.4
293.08795	3.5
401.14496	80.5
402.14825	12.4
413.93845	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35370	0.4
55.01758	6.1
55.31199	0.4
57.03321	5.9
58.00459	1.6
59.01246	34.9
60.01572	0.7
65.71201	0.4
69.03323	1.1
71.01250	77.2
71.20976	0.7
71.21333	0.6
72.01578	1.0
72.99178	3.4
73.02815	24.0
75.00744	1.9
81.03344	0.9
83.01253	15.2
84.02029	0.6
85.02821	39.4
85.99973	0.9
86.03148	0.4
87.00740	3.6
89.02312	7.1
89.16591	0.5
92.16471	0.5
93.03338	0.6
95.01264	6.2
97.02825	2.0
99.00754	12.6
101.02318	65.3
101.59740	0.5
102.02654	1.6
107.04936	0.7
109.02832	0.9
111.00764	1.3
113.02327	28.9
114.02644	0.8
121.02781	0.5
124.01552	0.9
125.02327	3.2
129.01816	1.8
131.03387	22.1
132.03683	0.5
135.04399	1.2
137.02322	0.8
143.03401	5.1
153.02933	1.4
159.02885	8.4
161.04460	61.0
162.04807	2.0
173.04532	0.5
177.01831	0.4
179.03384	0.8
191.05453	0.6
192.09221	0.5
193.04881	0.5
195.03972	1.4
203.10648	0.5
205.03464	3.3
209.79138	0.4
239.05522	1.0
269.10278	100.0
270.10669	6.9
297.33258	0.5
313.09473	0.5
340.68140	0.5
343.74152	0.5
401.10324	0.9
401.14536	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98702	12.0
62.23335	4.3
66.76475	4.7
71.01265	47.2
71.39162	5.4
85.02814	9.0
89.02324	59.1
92.42496	4.5
94.92030	3.7
101.02319	25.0
110.95741	4.1
113.02322	22.1
119.03415	22.5
143.03403	7.5
161.04492	10.5
167.74370	4.0
172.46359	5.1
179.05522	11.4
306.76474	4.6
341.12231	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.1
57.03321	5.6
57.68999	0.7
58.00458	2.0
59.01247	37.0
60.01568	1.0
60.92704	0.7
69.03319	0.9
69.74001	4.9
71.01249	72.3
72.01576	0.9
72.99168	2.7
73.02814	30.2
73.17742	0.8
75.00734	1.3
78.70781	1.0
83.01263	11.9
85.02821	36.5
86.78395	0.8
87.00726	3.0
89.02309	12.6
93.03367	1.5
95.01254	6.5
97.02806	3.0
99.00759	16.9
101.02316	55.1
102.02646	1.4
109.02867	0.9
112.01543	2.2
113.02325	29.2
119.03315	0.8
119.37886	0.9
125.02313	2.0
129.01790	2.3
131.03392	1.9
137.02328	1.5
143.03375	3.1
159.02875	6.6
161.04460	43.5
162.04781	2.2
191.05602	1.2
193.85429	1.0
205.03506	1.4
209.57207	0.8
269.10278	75.2
270.10571	5.5
401.14499	100.0
402.14783	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	399.1293
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
57.01829	0.5
57.03325	0.9
59.01247	4.6
61.43299	0.4
69.03348	0.5
70.00359	1.9
70.99934	0.5
71.01250	3.6
73.02806	1.0
75.74268	0.5
77.35190	0.4
81.03318	1.1
83.01283	0.8
85.02821	2.4
87.00726	1.0
89.02319	1.2
93.03346	1.2
95.01254	1.5
96.95878	1.2
97.02829	0.7
99.00761	0.7
101.02315	1.5
101.05940	2.6
108.02047	100.0
109.02865	18.7
110.03205	0.6
111.00748	1.2
113.02316	1.5
121.02835	0.8
123.00749	0.9
123.04379	1.1
124.01529	0.6
125.02349	2.8
133.02803	0.6
135.00763	0.6
135.04417	1.7
137.02359	0.7
141.01831	0.9
151.03889	1.0
152.01051	55.2
153.01846	16.7
154.02208	0.7
161.04414	1.0
163.03917	1.5
165.01825	1.8
167.06038	1.6
169.01253	0.7
175.03934	0.8
209.07121	4.2
237.07619	0.5
245.61424	0.5
278.09317	3.2
283.11780	0.7
340.05698	0.7
340.09219	3.4
358.90366	0.5
362.35352	0.6
381.09625	0.5
399.12918	59.5
400.13358	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	400.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.9
61.98700	100.0
71.01273	2.4
71.46504	0.5
71.50075	0.6
73.02812	0.6
85.02809	1.1
89.02325	0.8
93.03342	1.0
96.95908	0.6
101.02312	0.9
107.23530	0.5
109.02845	0.6
113.02288	0.7
121.02876	1.0
125.02351	1.5
133.02893	0.9
135.04434	1.5
137.02333	0.7
150.03156	0.5
159.04451	1.3
160.04803	1.2
160.06895	0.4
161.02374	1.5
161.04527	0.5
162.02754	0.9
165.01842	0.6
173.04503	1.3
175.03963	2.1
177.01901	0.6
179.03500	1.5
205.48134	0.5
325.11847	0.8
356.13327	0.6
400.13266	2.0
401.13574	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	399.1294
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
55.01738	0.4
55.53119	0.2
57.03320	0.5
59.01250	6.3
61.98703	3.7
69.03357	0.3
69.94611	0.2
71.01252	5.3
71.50871	0.4
72.39484	0.2
72.99186	0.6
73.02823	1.8
75.00761	0.7
79.95615	0.2
83.01251	1.0
85.02825	3.0
87.00763	0.9
89.02309	1.2
93.03320	0.4
95.01250	0.5
96.95881	2.2
97.02838	0.4
99.00748	0.8
101.02308	3.5
105.03362	0.5
108.02038	0.4
109.02834	0.4
111.00774	0.4
113.02336	1.7
115.00253	0.3
117.03346	0.9
119.03394	0.3
121.02845	0.5
123.04385	0.3
125.02359	0.3
127.00234	0.4
132.02078	1.3
133.02850	33.2
134.03107	1.3
135.02878	0.4
135.04408	7.0
137.02321	0.9
159.04419	13.8
160.04796	0.6
161.02347	100.0
162.02689	4.6
163.03917	0.4
164.01019	0.3
165.01862	0.4
175.03912	0.3
177.01863	0.3
177.05507	2.9
178.99780	0.3
179.03429	3.4
203.03302	0.3
208.00076	1.4
223.02432	1.6
269.94711	0.3
339.10806	3.0
340.11288	0.2
355.12955	0.3
399.12894	56.7
400.13260	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85766	1.8
57.03317	20.4
59.01241	6.7
61.98703	7.9
66.91032	2.0
67.01762	2.2
67.31400	2.0
71.01247	9.5
71.49341	1.4
71.49773	2.3
72.99178	5.8
73.02824	4.4
75.00726	3.1
76.98158	1.6
82.39948	1.5
83.01263	10.3
83.04848	2.0
84.02012	3.0
85.02821	100.0
87.00739	3.7
87.04401	5.3
93.03337	2.4
95.01262	2.1
101.02342	7.4
104.52771	1.6
105.01804	3.3
105.03358	2.1
107.04898	2.4
111.00758	26.9
121.02799	2.6
123.00776	3.8
129.01825	37.2
134.03604	12.0
135.04413	3.8
149.02306	3.0
161.04489	2.6
165.03957	7.8
173.04478	11.6
173.64780	1.6
177.01834	3.8
187.02313	2.3
189.11243	4.7
191.05533	4.7
193.04930	9.2
201.11218	4.2
205.03473	24.3
206.03813	1.9
206.17155	2.0
214.44611	1.7
223.04556	17.6
225.03871	2.2
236.03177	1.9
316.03308	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	397.223
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
52.86352	0.5
55.01753	6.8
55.68203	0.4
57.03318	6.2
58.00464	3.7
59.01248	64.9
60.01584	0.6
68.99678	0.7
71.01249	87.9
71.50509	0.6
72.01590	1.5
72.88095	0.5
72.99181	6.1
73.02814	27.6
74.03194	0.5
75.00737	1.6
81.03326	0.6
83.01256	17.7
84.02039	0.7
84.99541	0.4
85.02818	41.3
85.33585	0.4
85.99964	0.5
86.03162	1.1
87.00742	5.4
89.02313	36.6
92.71778	0.4
95.01257	6.8
97.02822	2.1
99.00751	12.6
100.33785	0.4
100.83035	0.4
101.02318	100.0
102.02650	2.2
102.98477	0.8
111.00751	1.5
113.02325	38.1
114.02646	0.9
114.73775	0.4
119.03387	20.7
125.02358	2.1
129.01811	1.7
131.03400	2.3
133.56758	0.5
134.07219	0.5
139.00250	0.6
142.06548	0.5
143.03430	4.6
144.03812	0.4
149.04443	1.6
159.02884	6.9
161.04457	26.4
162.04797	1.1
179.05519	4.0
201.12813	1.3
205.03485	1.3
205.15865	0.8
217.15985	3.5
219.00229	0.4
235.16930	2.7
249.15207	0.8
267.14114	0.6
295.18958	1.0
305.33002	0.5
315.04959	0.7
317.05685	0.6
323.34949	0.4
338.17694	0.5
356.18616	1.4
364.41675	0.5
379.05698	0.6
397.22263	60.2
398.22650	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0721
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
54.71468	0.3
59.01297	1.9
67.30678	0.2
67.84017	0.3
69.03356	0.4
71.01257	2.3
71.51817	0.4
73.02860	0.5
81.37333	0.3
85.02865	0.7
89.02393	0.8
93.03414	0.3
93.96806	0.3
97.02863	0.3
101.02312	1.6
109.02960	0.3
110.81879	0.3
113.02413	0.9
119.03423	0.3
121.02916	0.5
123.00796	0.3
125.02382	0.3
145.02913	0.3
148.42805	0.3
159.04439	0.4
160.01561	0.3
161.02347	0.4
161.04503	0.5
162.03059	0.3
172.26004	0.3
173.02469	0.3
174.03194	0.8
175.03949	0.3
177.01918	1.3
183.04526	0.5
187.03961	0.3
189.01918	1.0
190.02576	2.2
193.01376	3.6
197.06168	0.4
198.03279	0.4
199.04037	0.3
200.01134	0.6
202.02660	1.5
203.03415	0.7
203.40773	0.3
204.00635	0.4
205.01451	0.7
209.06255	0.4
212.00945	0.3
213.01906	0.5
214.02699	0.9
215.03445	0.6
216.00571	0.3
216.04424	0.4
217.01289	0.5
218.02168	2.1
221.00841	5.8
222.01602	0.8
223.07619	0.4
224.04732	0.8
225.05522	0.8
227.03439	1.9
228.00615	2.0
228.04112	0.4
229.01407	1.0
230.02187	1.3
231.02945	0.7
235.03862	0.4
237.05592	0.6
237.09143	0.4
238.06357	0.6
240.04211	0.5
241.01535	0.6
241.05046	0.6
242.02138	2.1
243.03017	1.0
245.00932	1.5
246.01526	0.5
251.03458	0.6
253.01570	0.5
253.05141	1.1
253.08739	0.4
254.02251	0.6
254.05960	0.4
255.03027	0.7
255.10266	0.6
256.00128	0.4
256.03766	0.6
257.00809	2.2
258.01639	2.8
259.02502	1.3
263.03473	0.4
265.04990	0.5
265.08795	0.5
266.02289	0.4
266.05963	0.5
267.02893	0.5
267.06665	0.4
268.03876	0.5
269.04645	0.5
269.15854	0.4
270.01721	0.7
271.02475	1.5
271.09814	0.8
273.00406	2.2
274.01181	26.7
275.01541	1.9
279.03082	2.0
280.03729	1.1
281.01251	0.4
281.04553	1.9
281.08203	1.0
282.01749	0.9
282.04956	0.6
283.02454	2.6
283.09784	0.9
284.03223	1.8
285.00369	1.0
287.01953	2.2
288.02753	1.1
293.04565	0.9
294.05325	0.5
295.02325	0.4
297.04034	0.7
299.01990	5.1
299.09402	0.6
300.02649	2.5
301.03406	0.8
307.02551	0.7
308.03308	1.4
309.04028	1.3
309.07700	3.4
310.08060	0.5
311.01959	0.4
311.09219	0.7
312.02753	2.0
322.04733	0.3
323.05569	1.0
325.03491	3.1
326.04254	1.6
327.08633	1.2
337.07162	4.6
338.07950	2.0
340.05777	0.8
355.08215	100.0
356.08539	11.0
399.07153	10.7
399.23438	0.4
400.07565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11660	0.5
55.01758	6.9
56.99742	0.5
57.03322	6.7
57.38456	0.4
57.93249	0.5
58.00457	3.3
59.01247	67.7
60.01580	1.1
62.70682	0.4
68.99661	0.8
69.03323	0.7
70.00269	0.5
71.01250	91.2
71.50932	0.5
72.01579	1.1
72.99179	5.5
73.02814	30.8
74.03136	0.5
74.52106	0.5
75.00746	1.6
78.42615	0.5
80.55510	0.5
83.01257	16.7
84.02036	1.0
85.02822	41.5
86.03167	1.0
87.00745	5.5
89.02313	36.5
90.02660	0.7
95.01259	6.5
97.02821	2.5
99.00759	11.0
99.04398	0.6
101.02319	100.0
102.02631	2.4
102.98448	0.6
104.77241	0.5
111.00743	1.1
113.02328	38.2
114.02663	1.2
119.03387	20.6
120.53383	0.5
125.02322	1.5
129.01810	1.3
131.03380	1.8
135.08060	0.9
142.06508	0.6
143.03380	5.9
149.04469	2.0
159.02902	7.2
161.04459	27.0
162.04810	0.8
165.01842	0.6
179.05519	4.5
201.12817	0.9
202.13116	0.6
205.03410	1.0
217.15901	3.6
218.16194	0.7
231.13629	0.5
235.17139	0.6
249.15097	0.9
256.03506	0.9
267.14218	0.8
270.98788	0.7
295.19028	0.8
298.98196	0.9
319.63153	0.7
338.17569	0.6
356.18555	1.3
384.27048	0.5
397.05579	1.2
397.22260	60.6
398.22729	7.7
410.11603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.4
57.03321	17.5
58.00463	4.8
59.01247	81.8
60.01585	0.9
61.83925	0.4
65.37237	0.5
65.57961	0.4
68.99694	0.7
69.03317	0.7
71.01250	100.0
71.37769	0.8
72.01589	2.0
72.99176	5.8
73.02818	14.9
74.90891	0.4
75.00743	0.9
83.01254	6.3
83.04900	1.0
84.02036	0.6
85.02821	28.6
86.03131	0.6
87.00752	4.1
89.02315	67.0
90.02638	1.1
93.03341	0.5
95.01263	5.6
97.02822	1.0
97.06428	0.7
99.00745	6.8
101.02319	50.9
102.02633	1.3
102.98438	0.4
107.04898	1.0
107.08536	2.8
113.02326	39.2
114.02647	1.2
119.03386	28.7
121.10162	0.6
125.02353	0.6
131.03401	3.8
139.00237	0.5
143.03372	4.7
149.04434	2.5
159.02916	3.3
161.04457	13.9
162.04774	0.5
165.12718	1.1
177.12764	14.2
178.13084	0.8
179.05518	7.1
180.05711	0.5
191.05504	0.5
191.14285	1.9
217.15808	1.6
235.16879	2.5
237.18651	0.6
246.46533	0.5
267.00208	0.4
369.12589	0.6
397.06357	0.6
397.22250	4.2
413.09747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	6.3
71.01273	3.0
79.95589	1.9
85.02793	2.0
87.00774	2.9
96.95866	7.2
109.02814	3.3
111.00768	2.3
117.03372	3.2
119.04871	1.9
121.02864	4.6
125.02355	3.0
133.02815	3.1
135.04407	3.2
137.02307	2.3
139.07486	3.2
144.76332	1.6
145.02847	18.8
146.03581	2.6
147.04405	4.0
149.02299	2.5
151.00296	2.5
152.00998	3.8
156.07480	1.8
160.01595	3.7
161.02367	8.7
163.03883	5.5
173.02365	79.4
174.02858	6.1
176.01051	1.9
177.01871	4.1
178.99725	3.4
179.03349	1.9
188.01077	1.9
189.01855	25.5
190.02644	97.1
191.03409	46.5
193.01396	2.6
205.01308	3.7
216.00670	1.9
217.01378	14.1
223.67719	1.6
233.00977	2.7
234.01656	64.3
235.02426	26.7
279.12408	1.8
289.07266	2.9
299.02002	2.8
300.02753	1.9
317.03101	8.9
317.06436	2.5
318.03076	1.8
353.08792	4.8
379.06754	1.9
397.07681	100.0
398.07730	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	397.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.5
72.21440	0.4
73.14281	0.4
79.95602	0.8
83.33462	0.4
85.02796	0.5
96.95892	4.7
98.20592	1.0
98.75260	0.4
109.03086	0.4
139.08273	0.4
174.64873	0.5
229.46765	0.7
285.05563	1.1
295.07620	0.8
298.06290	1.5
306.06729	1.0
307.07684	1.6
308.08374	0.5
309.09164	0.7
313.04825	0.5
314.05841	0.6
322.06363	1.3
323.07089	3.1
324.07892	1.7
325.05133	0.8
326.05804	4.6
327.06476	0.7
335.07089	8.2
336.07498	1.4
341.04413	1.4
341.08264	1.3
342.05240	0.9
350.05872	2.6
351.06631	5.5
352.07242	1.4
353.04407	1.1
353.08179	5.1
354.05139	3.6
354.08932	0.4
355.05765	0.8
358.04742	0.9
367.06015	0.7
368.06979	1.0
369.03308	0.5
369.07648	7.5
370.04736	11.2
371.05154	1.7
378.05386	3.6
379.06088	31.9
380.06506	5.2
382.04794	2.4
396.06271	1.8
397.07150	100.0
397.22379	6.0
398.07532	14.7
398.22778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37752	0.5
55.60770	0.5
59.01262	0.7
68.70530	0.5
71.01228	0.7
76.17393	0.5
78.95786	0.6
79.95586	1.2
96.95883	7.6
105.68272	0.6
137.74493	0.5
147.23282	0.5
148.67650	0.5
149.15889	0.5
156.14053	0.5
223.79497	0.6
274.10754	0.5
294.11450	0.5
297.05609	0.7
298.06467	1.5
307.07477	0.7
309.08942	0.6
322.06342	0.8
323.07123	1.7
324.07932	2.0
325.05023	1.2
325.08661	1.7
326.05844	4.7
335.07083	8.9
336.07446	0.9
341.04276	0.9
342.05222	0.8
343.05579	0.7
350.05588	2.7
351.06500	6.7
352.07318	2.4
353.04391	1.5
353.08124	5.9
354.05240	5.1
354.08743	0.8
367.06122	0.9
368.06744	1.1
369.07660	9.9
370.04599	9.2
371.05209	1.2
378.05322	4.0
379.06107	30.5
380.06567	4.5
381.04102	0.7
382.05026	1.7
396.06216	1.3
397.07147	100.0
397.22629	8.1
398.07501	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	396.1086
Annotation	Narlumidine
Peak:m/z	Relative Intensity
59.01234	0.4
70.89090	0.6
71.01231	0.3
74.47414	0.3
92.04936	5.0
93.03310	0.6
101.02279	0.3
102.35994	0.3
116.04939	0.4
117.03333	0.7
135.04405	0.3
143.72421	0.3
145.02823	0.4
161.02380	1.7
162.02605	0.3
173.02345	1.2
173.04404	0.4
174.03160	2.0
187.03859	1.3
192.08057	0.8
195.04424	0.4
200.04727	0.7
201.05424	0.5
203.07341	2.2
204.08107	4.6
205.05489	0.3
220.07623	4.9
222.09154	1.1
224.54929	0.3
231.06844	0.3
233.04744	2.5
234.05334	0.5
236.03362	0.4
246.05638	0.8
247.06326	4.2
247.09026	0.4
248.07126	52.8
249.07466	4.8
250.05034	3.3
251.05812	7.9
252.06255	0.5
260.07062	0.3
260.52545	0.6
261.07779	0.8
262.08661	0.9
264.06601	1.5
265.07397	7.8
266.08200	100.0
267.08560	9.4
278.08298	0.6
279.08987	20.2
280.09445	2.7
290.11728	1.5
292.09863	0.7
293.10608	0.4
295.62640	0.3
307.45316	0.3
308.12897	3.5
313.81268	0.3
316.05545	0.5
334.10828	2.7
352.11877	27.0
353.12219	2.7
396.06216	0.4
396.10510	1.4
397.92249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.9869
Annotation	Gossypetin 3-O-sulfate
Peak:m/z	Relative Intensity
54.57851	0.3
59.01252	0.6
63.02267	1.0
65.00187	2.6
67.01765	0.5
68.99684	0.4
69.03299	0.4
69.53467	1.5
69.53891	1.3
71.01258	0.5
72.99177	0.5
79.95619	0.4
81.03310	0.8
83.01244	1.7
93.03349	1.5
95.01260	3.9
96.95879	4.8
97.02808	0.6
107.01264	6.1
108.02045	1.1
109.02834	15.0
109.99974	1.1
111.00766	5.2
121.02830	1.3
123.00744	3.8
123.04438	0.5
124.01571	2.3
125.02328	3.9
133.02832	0.7
135.00787	0.9
135.04382	0.5
137.02344	8.2
139.00266	7.1
139.03891	1.6
143.04887	0.7
145.02821	1.3
145.06482	0.4
147.00723	0.4
147.04378	0.8
148.01620	0.4
149.02354	3.7
151.00264	17.7
151.03831	0.5
152.01074	4.2
153.01825	4.2
159.04396	1.1
160.01534	0.6
161.02341	1.1
163.00267	4.5
163.03911	0.9
164.01088	2.0
165.01830	0.8
165.98979	0.9
166.99751	3.4
169.01344	1.1
171.04411	1.9
173.02328	2.8
173.05962	0.9
174.03018	0.8
175.00215	0.4
175.03899	1.4
178.98212	0.8
178.99779	13.5
180.00177	0.8
181.01358	0.8
183.04356	1.0
185.02391	0.6
187.03886	1.5
189.01817	1.1
189.05460	0.9
190.02686	2.4
190.99733	0.8
191.03329	1.9
193.01404	3.0
194.99263	1.3
197.02426	0.5
199.03932	4.3
200.04515	0.6
201.05484	0.8
202.02534	0.4
203.03409	1.4
205.01425	0.4
206.99280	1.2
208.00079	1.9
211.03963	0.6
213.01880	0.6
215.03401	2.3
216.00815	0.4
216.04269	0.5
217.04953	1.4
219.02922	0.5
224.67085	0.4
227.03453	4.2
228.03810	0.4
229.01305	0.6
229.04979	0.5
230.01994	0.6
231.02887	1.1
234.01622	1.4
235.02296	0.5
243.02942	5.2
244.03406	0.6
245.04526	2.4
245.59599	0.4
255.02963	2.8
256.03445	0.5
259.02637	0.4
271.02463	10.4
272.02924	1.5
273.04050	8.1
273.06894	0.9
274.04236	0.5
287.02121	0.5
289.03452	1.3
299.01941	12.4
300.02420	1.1
305.10846	0.4
315.01428	1.0
316.02267	0.4
317.02982	100.0
318.03345	8.3
396.98663	3.9
397.07205	1.8
399.31863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07336	0.6
54.35333	0.6
54.87757	0.7
59.01260	3.3
61.69145	0.6
65.00175	1.9
71.01254	3.5
73.02805	1.0
76.67310	0.7
85.02827	1.1
89.02314	1.3
92.04916	2.3
94.41783	0.7
97.02817	0.9
98.20569	1.5
101.02336	1.5
107.01255	0.8
109.02856	0.9
113.02319	1.6
116.04992	0.9
121.02835	4.6
149.99478	0.6
161.02341	1.5
161.04413	1.1
165.01839	14.0
173.02345	0.9
174.03134	1.1
187.03905	2.0
193.01402	2.5
194.31682	0.6
203.07285	3.5
204.08084	4.6
220.07552	2.4
222.09209	1.9
233.04803	2.0
233.15260	0.8
246.05511	5.2
247.06361	27.0
248.07108	40.7
249.04581	1.2
249.07460	3.4
250.05025	6.1
251.05727	4.2
255.02748	1.0
260.07111	2.9
261.07828	2.5
262.08728	2.1
263.05844	2.1
264.06598	13.6
265.07404	18.9
266.08194	26.1
267.08572	3.5
271.02386	2.3
274.08673	3.1
275.09445	2.7
276.06766	0.9
278.08310	1.2
279.09018	6.4
280.09589	3.1
287.05383	0.7
290.11777	5.3
292.09781	5.0
293.10535	16.7
294.10892	1.7
298.04941	0.9
300.02667	2.6
315.05069	23.5
316.05432	2.9
316.09784	1.8
332.11691	1.9
333.12408	37.3
334.12946	4.9
335.10361	3.2
336.16141	0.8
351.13470	100.0
352.13794	11.7
373.42258	0.8
395.00848	1.0
395.20428	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	395.0078
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
58.92485	0.4
65.00196	11.3
69.74258	2.1
79.95610	0.8
89.00198	2.4
91.01765	2.6
93.03319	3.0
97.02834	9.2
109.02827	1.0
121.02846	28.2
122.03220	0.8
139.03885	4.8
142.16277	0.5
149.02339	8.4
149.99516	3.4
158.59618	0.5
165.01845	70.0
166.02194	2.5
183.02917	5.3
193.01360	26.4
194.01648	0.9
201.73212	0.5
226.02548	1.0
227.03505	1.4
228.04221	0.9
242.02286	0.6
243.02951	5.0
244.03499	1.0
249.25360	0.5
254.02106	0.8
255.02928	3.9
256.03683	2.1
259.06039	1.7
271.02472	4.5
272.03253	6.6
285.04047	1.0
287.05594	1.9
300.02704	5.3
313.03635	1.0
315.05093	100.0
316.05423	7.8
395.00797	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	395.0075
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
55.01741	0.7
55.49421	0.3
59.01245	4.4
71.01241	4.1
71.27734	0.9
72.99172	0.7
73.02822	1.9
77.51197	0.4
83.01249	1.0
85.02786	2.0
89.02290	0.8
97.02821	0.5
99.00742	1.3
101.02316	4.3
107.01241	0.6
108.02039	1.1
113.02316	1.7
123.47266	0.4
135.00778	1.0
139.19293	0.4
151.00296	0.8
161.04472	1.3
163.00256	1.3
164.00989	0.5
192.00563	0.5
200.04724	0.4
216.04195	0.6
226.02611	0.7
227.03407	1.5
243.02954	9.0
244.03677	2.1
254.02220	2.0
255.02943	14.5
256.03375	1.2
259.06073	1.0
263.15009	6.2
263.17709	0.6
271.02460	31.0
272.03085	6.7
272.78763	0.4
287.05637	2.2
299.01883	0.9
300.02713	45.1
301.03113	3.5
311.78763	0.4
315.05075	100.0
316.05405	8.4
349.04776	1.1
377.04218	1.3
395.00751	11.2
395.05383	1.5
395.19193	9.0
396.00897	0.8
396.19315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0073
Annotation	Rhamnetin 3-O-sulfate
Peak:m/z	Relative Intensity
51.77641	0.3
63.87264	0.4
65.00195	7.5
79.13570	0.4
83.01257	0.5
89.00183	2.2
91.01764	1.7
93.03335	3.6
97.02824	6.0
107.01269	1.2
109.02813	2.3
121.02844	24.6
122.03197	0.5
124.01550	0.6
139.03903	1.2
140.33440	0.4
148.01501	0.6
149.02357	2.3
149.99481	2.3
151.00279	2.8
161.02290	0.5
163.00229	1.7
164.01067	0.6
165.01842	56.1
166.02193	2.1
170.45683	0.4
172.05258	0.4
183.02780	0.4
190.99834	0.9
192.00500	0.8
193.01367	4.9
207.02994	0.9
216.04108	0.5
226.02736	1.8
227.03412	1.3
228.04237	1.7
243.02971	3.5
244.03673	1.5
254.02130	1.7
255.02948	1.7
256.03735	1.1
259.06009	1.0
269.04575	0.7
271.02490	11.9
271.05518	0.6
272.03070	2.4
287.05380	2.0
300.02740	10.1
301.03195	1.0
315.05099	100.0
316.05423	9.2
319.97952	0.4
368.25101	0.4
395.00726	5.6
396.00943	0.7
399.82208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
59.01249	100.0
60.01586	1.3
61.98698	0.5
65.38461	0.5
67.94759	0.4
69.25479	3.5
71.01247	3.5
72.99188	0.8
73.02831	1.6
75.00751	0.6
78.92783	0.4
83.01255	0.5
85.02822	1.4
89.02293	1.0
95.01253	0.5
96.95892	0.4
99.00764	0.7
101.02320	2.7
107.01293	0.6
108.08279	0.4
109.02869	0.9
113.02362	1.3
115.98592	0.4
121.02860	0.7
123.00761	0.8
125.02318	2.4
126.02602	0.5
132.02086	0.7
135.02895	1.2
135.04422	0.7
145.02864	0.6
150.03136	0.8
156.19260	0.4
158.03656	0.8
159.03047	0.5
159.04401	0.9
160.01675	0.7
161.04408	2.1
163.03925	0.5
163.25418	0.4
165.05478	0.9
167.03516	0.5
169.01390	3.8
173.02341	1.2
173.04596	0.4
174.03151	0.8
176.01117	0.6
186.03210	0.7
187.04016	1.1
188.03474	0.6
189.04218	0.8
190.02557	0.5
190.05087	1.2
191.03458	1.7
195.06773	0.4
197.04440	0.5
214.05145	0.6
230.04486	0.7
231.03113	0.5
231.05205	1.9
232.00117	1.4
232.06134	2.1
233.01065	0.5
259.99576	6.4
261.00369	2.3
261.13513	1.2
300.99963	1.2
302.00342	0.8
316.03192	0.6
316.53552	1.1
317.03873	0.7
328.37582	0.4
333.19107	4.9
334.19482	0.7
392.53766	0.7
393.04346	3.2
393.17484	1.2
394.11591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03318	1.9
58.00467	5.2
59.01248	99.8
60.01576	1.3
61.01673	1.1
67.01764	0.5
69.03323	0.9
71.01252	74.5
71.09235	0.5
72.01592	1.2
72.99176	6.7
73.02824	4.2
73.34038	0.4
74.98977	1.0
75.00733	1.3
83.01250	4.2
85.02821	14.3
86.05727	0.4
87.00748	3.2
89.02315	100.0
90.02655	0.7
93.03336	0.7
95.01267	3.1
96.95894	1.5
97.02818	1.3
97.86071	0.5
98.20562	1.7
99.00753	4.6
101.02319	42.2
101.05963	0.6
101.09023	0.5
102.02657	1.1
107.01237	1.6
109.02820	1.6
111.00768	0.7
111.04457	0.6
112.23070	0.4
113.02328	23.6
114.02671	0.6
119.03390	25.1
123.00745	1.2
125.02337	13.3
126.02641	0.7
129.01816	1.3
131.03392	48.1
132.03706	1.4
135.02917	2.7
135.04395	1.4
136.98985	0.7
137.02377	0.9
137.97821	0.4
139.00191	0.9
140.01073	0.6
143.03394	4.9
146.03587	0.6
149.03351	1.0
149.04459	14.9
149.05692	0.5
151.00253	0.5
161.04443	6.0
163.03885	1.0
166.99756	0.9
168.00525	1.3
169.00008	0.8
169.01338	14.8
170.01694	0.8
173.04405	1.4
178.07217	0.5
179.03271	0.7
179.03752	0.6
179.05547	12.1
179.06992	0.9
180.06001	0.6
181.04927	1.2
182.05661	1.8
187.07530	0.9
191.05542	19.0
192.05861	0.9
196.07118	0.5
197.08020	1.0
202.06218	0.6
211.02400	0.8
214.04829	0.5
231.10165	0.7
241.03525	2.2
261.13449	2.6
275.09210	1.1
316.53156	0.7
317.04004	3.6
317.54178	1.1
393.04626	0.8
393.17035	1.9
393.28436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	89.0
61.98701	100.0
69.47121	17.8
69.47543	23.3
73.89725	4.5
89.02338	5.7
96.95877	10.2
100.13693	5.1
113.02331	5.9
124.01127	5.5
214.48242	5.0
262.79233	5.4
263.76566	5.4
271.02481	27.1
283.02362	12.5
299.01932	44.6
300.02365	7.7
313.07068	10.6
314.04453	41.6
329.06677	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.3
62.79922	0.3
63.44082	0.3
88.59898	0.4
127.05462	0.4
137.02284	0.4
139.05431	1.3
141.03342	1.2
144.37813	0.4
155.04909	1.4
167.04884	1.2
171.04437	0.4
173.06017	0.7
183.04448	3.5
199.03935	5.0
211.03931	1.6
227.03445	2.8
229.08652	0.4
239.03448	1.5
255.02962	42.1
256.03287	2.9
283.02469	68.3
284.02811	6.2
294.71582	0.4
298.04819	40.1
299.05112	3.4
309.95810	0.4
313.07162	100.0
314.07516	8.1
393.02841	3.2
407.26190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0286
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
59.01234	1.0
59.32110	0.5
70.80299	1.1
70.80624	0.9
134.49391	0.6
137.02159	0.6
139.05467	1.0
141.03351	1.1
147.04446	0.7
155.04961	1.2
167.04930	2.3
171.04451	1.0
173.06059	1.0
183.04411	4.1
199.03912	4.6
211.03954	1.9
227.03477	2.6
239.03519	1.4
255.02963	49.7
256.03232	3.3
283.02463	72.8
284.02808	6.7
298.04813	42.2
299.05063	3.6
313.07166	100.0
314.07489	9.1
316.55731	0.8
393.02719	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07637	0.6
57.03330	0.7
59.01250	100.0
60.01583	1.3
64.10207	0.6
69.41787	4.9
71.01257	8.4
73.02829	2.8
83.01272	1.3
85.02819	3.3
87.00783	1.2
89.02321	7.8
95.01268	0.9
97.69864	0.8
101.02326	5.7
113.02321	4.8
119.03387	4.1
123.04459	0.8
131.03439	0.7
143.03421	1.0
161.04472	7.3
174.35280	0.6
179.05576	1.4
209.19771	0.7
231.43538	0.7
297.92480	0.7
331.17700	6.8
332.48328	0.7
391.17984	2.0
391.27036	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.4
63.15294	0.8
66.91098	0.8
69.17201	4.6
69.17633	3.1
71.01245	5.4
85.02841	1.6
89.02306	4.3
101.02306	4.0
103.16092	0.6
113.02343	3.0
119.03392	2.3
161.04463	3.5
179.05568	0.9
225.95021	0.8
320.94629	0.8
320.98572	0.8
331.17584	8.2
332.18283	0.7
375.16858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.77341	0.4
60.01586	1.0
62.35830	0.4
65.89051	0.3
69.37394	2.9
71.01256	3.8
72.99212	0.6
73.02827	0.8
78.65450	0.3
85.02837	1.6
87.00757	0.4
89.02325	1.7
98.20567	0.7
99.00732	0.7
101.02296	2.2
102.34397	0.4
105.01159	0.4
109.81560	0.4
113.02330	1.5
119.03442	1.0
123.00744	0.6
125.02367	1.5
134.03700	0.5
161.04460	2.0
163.03966	1.2
164.49352	0.3
169.01314	2.0
173.02443	0.6
174.53404	0.4
179.05536	0.5
201.01923	0.9
229.01465	1.7
258.01685	1.9
259.02197	0.4
300.99887	2.3
316.03458	1.8
331.17542	2.5
365.54050	0.4
391.06793	1.4
391.18457	0.9
391.53479	0.5
392.03867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75784	0.2
57.03331	0.3
59.01247	100.0
60.01584	1.2
71.01247	3.0
71.37555	0.3
71.37876	0.3
73.02820	1.0
83.01250	0.4
85.02813	1.6
89.02324	0.6
101.02319	1.8
113.02328	1.3
122.41884	0.3
136.99788	0.3
143.03352	0.3
159.02872	0.3
161.04431	2.2
166.02722	0.3
181.04951	0.5
245.28328	0.2
331.17639	1.8
362.80353	0.3
391.27063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.2
57.03318	0.3
59.01248	100.0
60.01584	1.0
63.96093	0.4
64.54110	0.3
69.44872	2.3
69.92235	0.3
71.01247	5.6
72.99183	0.5
73.02821	2.1
80.08048	0.3
83.01269	1.0
83.54948	0.3
85.02805	1.7
87.00770	0.5
87.04370	0.3
87.14394	0.3
89.02330	1.4
95.01260	0.5
99.00759	0.6
101.02313	4.2
101.43416	0.3
104.30917	0.2
113.02322	2.3
118.54964	0.3
119.03403	0.5
123.00756	0.3
125.02333	0.8
135.98256	1.3
150.03183	1.0
159.02939	0.8
161.04456	5.0
165.05473	1.0
169.01372	0.5
191.52293	0.3
195.06606	0.7
201.01950	0.4
229.01535	0.3
229.05101	0.3
237.11305	0.3
301.00052	0.5
331.17606	7.3
331.21317	0.5
332.17908	0.4
391.03333	0.5
391.19513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
68.31249	2.1
71.01247	8.1
72.15244	1.7
73.02799	2.0
81.53875	1.8
85.02816	2.4
85.55223	1.5
87.00755	1.8
87.04375	3.4
89.02319	7.0
89.10507	1.8
101.02323	7.2
102.19228	1.8
109.02885	2.3
113.02316	4.1
119.03369	3.1
119.04984	2.0
122.06014	3.1
123.00713	3.6
123.04401	2.1
125.02357	10.8
135.04430	2.5
136.07556	2.5
148.03876	2.0
150.05516	2.4
159.58510	2.0
160.03891	3.0
161.04532	4.6
163.04007	2.6
168.00587	3.1
169.01318	11.5
173.02458	3.2
173.04587	2.2
178.04974	2.2
179.05533	3.0
191.90129	1.6
201.01898	17.8
201.11342	2.0
203.03445	2.3
224.10716	3.4
229.01378	41.5
229.03598	2.0
230.01823	4.3
242.11697	3.1
243.11253	3.7
245.00803	2.4
252.09016	4.5
267.11377	16.3
275.01840	8.6
285.12497	17.1
300.99814	17.5
302.00327	2.5
303.13586	3.5
311.10477	4.5
312.81146	1.9
316.03235	6.4
329.11401	12.3
330.11789	2.2
331.17487	7.8
347.12277	2.5
373.10443	4.4
391.02560	3.8
391.07489	8.5
391.11270	3.4
391.19867	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0672
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
57.35820	0.2
57.72906	0.2
59.01247	3.1
63.96096	0.2
68.99663	0.2
69.03343	0.2
69.95689	0.9
71.01262	1.0
71.04924	0.2
72.99168	0.5
73.02805	0.3
75.00750	0.2
83.01275	0.3
85.02805	0.3
87.00736	0.7
88.67666	0.2
89.02266	0.3
93.03344	0.3
95.01277	0.5
95.04877	0.3
99.00777	0.3
101.02299	0.4
105.01813	0.5
109.02835	0.6
111.00842	0.2
113.02309	0.5
117.03353	0.7
121.02798	1.0
123.00768	0.8
123.04394	0.5
125.02316	1.1
133.02863	0.5
134.03624	0.7
135.04402	0.2
136.01590	0.3
137.02342	0.7
138.03175	0.2
147.02888	0.3
148.01540	0.4
149.02301	0.7
150.03036	0.3
151.03935	0.4
160.01610	0.3
161.02342	0.7
161.04417	0.2
163.03903	0.7
165.01820	0.3
165.03949	1.7
166.02649	0.3
166.99814	0.2
167.03374	0.2
169.01334	1.1
173.02316	0.9
176.01041	0.5
177.01845	0.3
181.04924	0.5
185.02499	0.2
187.03795	0.3
191.03391	0.6
193.01285	0.2
193.04997	0.6
200.01070	3.2
201.01860	43.0
202.02222	2.3
203.03389	0.3
211.02448	0.2
213.01927	0.3
228.00592	0.7
229.01370	100.0
229.26468	0.2
230.01717	7.7
235.06114	0.3
249.87779	0.2
275.01935	0.7
295.08157	0.3
300.99875	1.8
316.03024	0.4
349.18552	0.3
391.06714	31.0
391.53195	0.3
392.07248	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	391.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.0
62.12732	0.4
65.00194	3.2
70.09747	0.3
71.01235	1.4
72.99187	0.4
80.51720	0.4
88.38354	0.4
89.02286	0.4
89.87599	0.3
92.11480	0.4
98.20497	0.7
101.02314	0.9
107.74736	0.4
109.99971	6.3
111.00797	0.6
119.03389	0.4
125.02289	0.5
134.03586	1.0
136.98701	4.3
137.02321	0.5
137.99495	2.3
141.98969	0.5
143.04893	1.0
145.02808	0.4
148.98738	0.5
152.06189	1.1
161.04477	0.5
162.03120	0.4
164.98199	1.5
165.98973	1.6
167.04927	0.6
169.01242	0.5
170.03638	0.6
173.02542	0.4
182.03665	0.4
183.04391	0.4
195.04417	1.2
196.05237	4.6
197.02367	0.9
198.03090	1.2
199.03934	1.2
211.03949	3.5
212.04628	1.2
223.04034	0.8
224.04773	0.5
225.01877	4.3
226.00137	0.3
226.02234	0.6
239.03458	1.0
240.04236	3.8
251.03448	0.7
267.02945	0.7
268.03772	3.4
275.09290	0.8
279.02945	0.9
296.03244	90.0
297.03589	8.8
300.99957	0.8
311.05597	100.0
312.05933	10.0
331.17560	0.5
347.05530	0.6
391.00888	4.4
391.27115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11238	0.3
51.30070	0.3
52.45834	0.3
56.69042	0.3
59.01249	12.7
65.00198	2.1
71.01260	1.0
71.09247	0.9
81.44488	0.3
88.68358	0.3
101.02274	0.5
109.99982	4.3
110.46610	0.3
125.02329	0.6
133.01288	0.5
136.92148	0.3
136.98691	3.9
137.02376	0.4
137.99509	2.1
139.00293	0.5
146.82793	0.4
148.98746	0.7
152.06248	1.0
164.98224	1.3
165.99043	1.9
167.04854	0.4
168.22235	0.3
171.04417	0.4
175.04259	0.3
195.04439	0.6
196.05217	3.5
197.02341	0.4
198.03168	0.9
199.03934	0.8
211.03957	2.7
212.04588	0.8
223.04002	0.5
224.04587	0.8
225.01901	4.5
226.02225	0.5
239.03468	1.0
240.04216	3.4
251.03374	0.4
267.02975	0.7
268.03714	3.1
275.01947	0.4
275.09363	0.6
279.02951	0.8
295.02490	0.7
296.03247	85.0
297.03568	8.6
297.06802	0.6
300.99927	0.7
311.05597	100.0
312.05969	11.0
329.04636	0.4
331.17566	0.5
347.05652	0.7
391.01025	5.2
391.26917	1.0
392.01660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2542
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03317	3.8
59.01250	100.0
60.01592	0.8
61.98709	0.7
69.03329	0.9
69.20985	6.4
71.01249	9.4
71.04888	2.6
72.99178	1.1
73.02816	14.7
73.48038	0.5
74.98982	2.3
78.25639	0.6
79.95590	0.8
83.01254	0.7
85.02821	2.8
85.06467	1.6
87.00725	1.0
87.04390	1.1
89.02320	7.1
93.03326	0.7
95.01248	1.1
95.04919	0.6
97.06480	3.9
97.13676	0.5
99.08026	1.1
101.02340	5.0
101.05907	0.6
103.59024	0.6
109.02829	1.1
109.06468	2.0
111.08035	1.2
113.02325	3.3
113.09620	1.8
115.07516	3.6
118.97979	0.9
119.03378	3.7
120.99527	7.2
121.02838	0.7
121.10161	0.7
123.08047	4.7
125.02340	1.3
125.09611	1.4
127.11172	1.1
129.09146	0.7
135.08070	1.0
135.98280	0.7
136.99033	3.1
137.09612	1.9
138.06822	0.7
139.07535	3.2
143.03398	0.8
143.10678	2.6
149.09628	1.0
151.11171	0.8
152.08273	0.8
153.09117	3.5
155.10696	2.6
157.10701	0.5
157.12230	2.3
161.04482	2.0
167.03435	0.8
167.10725	3.2
167.98740	0.8
169.01384	1.1
169.12276	1.2
169.23769	0.6
173.11772	1.2
177.12790	3.4
183.01149	1.5
185.11700	0.8
187.13327	3.2
195.13687	0.8
199.05072	1.1
201.11229	1.5
216.13609	0.9
227.07120	0.7
227.16515	2.4
231.12346	2.0
245.13899	4.0
263.20203	0.8
275.20187	0.7
283.10797	1.1
293.21191	3.6
301.14883	0.9
311.22296	4.0
313.11728	3.6
327.25772	0.9
329.23361	6.5
371.24323	6.8
389.16830	2.9
389.25452	97.2
390.21249	0.8
390.25851	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51851	5.1
59.01247	100.0
102.46297	5.6
105.25373	5.4
141.74734	5.5
215.02222	5.9
346.27515	5.4
348.68356	6.3
350.21893	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27447	5.6
59.01254	100.0
59.29189	6.1
62.03656	7.0
70.97872	7.1
70.98199	10.7
86.43638	5.8
100.19152	6.2
121.43224	5.2
145.47751	6.4
156.42230	6.2
162.61673	5.4
192.81987	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07204	0.6
57.48575	0.7
59.01250	100.0
59.56485	0.7
60.01589	0.9
61.98707	1.2
63.61308	0.8
70.00126	0.6
70.79743	2.1
71.01240	4.1
85.02833	1.2
85.73107	0.8
89.02316	1.2
93.03322	1.3
101.02360	1.7
103.44166	0.7
109.02833	1.0
113.02336	1.9
121.21131	0.8
137.02339	1.0
144.32654	0.7
150.09976	0.7
151.28407	0.7
155.51170	0.8
161.04492	0.8
167.10687	39.1
168.11037	1.9
170.25883	0.8
209.11813	1.3
345.24435	0.8
389.25485	2.8
403.74402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08023	0.1
55.01756	3.0
56.99682	0.2
57.03322	7.2
58.00470	1.9
59.01247	38.8
60.01588	0.3
68.99691	0.2
69.03333	0.8
71.01250	57.2
71.04484	0.2
71.04884	5.0
72.01599	0.6
72.99178	3.2
73.02813	11.9
74.03148	0.2
74.11942	0.1
74.98970	0.4
75.00750	0.9
81.03322	1.9
83.01256	5.0
83.04890	0.4
84.02035	0.3
85.02818	22.6
85.06449	0.2
86.03149	0.4
87.00739	2.0
89.02313	22.0
90.02656	0.6
93.03330	0.4
94.31896	0.2
95.01259	4.3
95.04899	2.8
97.02823	3.9
98.03632	0.3
98.20584	0.3
99.00755	5.2
99.04404	0.6
99.08044	1.1
100.01064	0.2
101.02319	27.9
102.02653	0.5
105.06960	0.2
109.02813	0.3
109.06476	2.7
111.00751	0.4
111.04401	2.1
113.02326	21.2
113.05943	0.5
113.09596	0.6
114.02681	0.5
119.03384	6.5
121.06458	0.2
122.03627	0.8
123.04420	0.3
123.08056	1.9
125.02339	1.1
125.05968	0.9
129.01811	0.5
131.03365	0.7
135.08052	1.3
136.05199	1.2
137.02319	0.6
137.05972	1.4
137.09610	2.7
138.06755	37.4
139.07054	1.6
143.03395	2.2
144.03770	0.2
149.04463	0.5
149.09601	0.9
150.06760	0.7
151.00313	0.2
151.07545	0.9
152.08286	0.7
153.09111	84.9
154.09460	4.4
155.10649	0.5
159.02879	3.5
161.04456	18.4
162.04881	0.8
163.11182	1.1
164.08316	0.2
165.12770	1.5
167.03351	0.4
167.07013	0.2
167.10593	0.3
179.05501	1.9
183.10100	0.2
189.12663	0.2
192.11475	0.7
205.03470	0.5
207.13829	7.2
208.14146	0.6
210.12561	0.4
221.09679	1.2
225.14899	100.0
226.15231	7.7
249.14970	0.2
270.66751	0.1
309.07996	0.2
327.08792	0.3
345.09933	0.2
387.12967	0.2
387.20157	3.3
388.20450	0.4
410.49951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.4
59.01250	37.0
66.60432	0.7
69.70461	4.1
71.01252	21.1
72.00265	0.7
72.99183	2.6
73.02827	1.8
83.01276	0.9
85.02831	5.3
89.02315	23.0
93.03324	5.3
95.01254	1.8
95.04900	1.2
98.20531	1.5
99.00745	1.4
101.02324	14.5
104.23567	0.7
113.02325	7.6
116.64081	0.7
119.03382	9.7
121.02820	2.1
125.02348	1.5
131.03354	1.1
137.02361	1.0
143.03355	0.8
149.02370	3.5
161.04428	2.9
163.11218	1.3
166.02623	0.8
177.01851	37.2
178.02408	2.5
179.03484	0.7
179.05536	1.5
180.03882	0.9
192.04211	41.2
193.04578	1.8
207.06566	100.0
208.06871	6.0
225.07588	2.1
387.12872	3.1
387.17401	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	387.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16649	0.6
59.01249	7.3
69.49790	4.9
71.01242	2.9
73.02816	1.5
75.00735	0.6
82.02840	1.0
83.29443	0.6
83.68466	0.6
85.02807	0.6
87.00780	0.8
89.02314	2.3
95.01244	0.8
101.02328	1.4
101.86062	0.7
102.98459	0.9
104.04945	1.3
106.02847	1.0
108.04455	4.2
109.02794	0.8
113.02335	0.8
118.02866	1.1
119.03452	0.7
119.04854	0.8
120.99524	0.8
122.05985	3.5
125.02341	0.9
132.04466	2.3
134.06024	0.7
135.04413	0.7
136.03940	1.0
137.02374	1.2
147.03152	1.0
150.05377	1.0
158.02333	1.2
159.03227	0.9
160.03931	19.1
161.02354	0.8
161.04466	2.0
162.05476	1.2
167.63013	0.7
169.01341	0.9
174.05473	1.4
175.02602	1.5
176.03419	1.1
186.01913	1.9
188.03455	11.1
189.04045	0.9
190.05061	1.9
200.10840	0.9
204.02914	5.6
209.07162	0.8
210.07954	0.8
211.08670	1.0
211.12375	2.0
212.07196	0.9
218.04533	14.0
219.05089	1.2
220.06082	1.1
224.09366	1.1
225.05582	1.5
237.06648	1.6
237.10263	0.9
239.08138	1.5
239.11829	4.4
240.05324	1.4
240.10196	2.5
241.06058	1.1
241.09846	1.3
243.11368	2.0
251.08235	2.9
252.06584	0.8
252.08952	2.7
253.06224	2.5
254.06992	2.7
255.07779	3.5
265.09982	0.6
266.08087	1.2
267.04141	0.9
267.07764	2.7
267.11374	16.8
268.09787	4.1
269.09332	4.2
280.04916	1.1
281.05704	14.6
282.06229	1.4
283.07501	1.5
283.10886	4.1
293.09363	2.1
294.07199	1.0
295.07178	4.6
296.07959	6.0
309.08829	3.9
311.10358	100.0
312.10678	10.2
315.09634	1.4
327.09961	1.3
337.08276	13.6
338.08704	0.9
343.12845	3.8
355.09338	38.5
356.09723	4.0
369.11166	1.4
387.07178	0.6
387.11786	14.2
387.23962	5.2
388.12283	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	387.1086
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
59.00955	1.1
59.01251	16.4
62.56099	0.8
65.00193	1.4
69.34708	0.8
71.01246	10.7
71.50394	0.8
71.50787	1.4
71.53896	0.8
72.99172	2.2
73.02818	3.0
74.98973	1.7
75.00717	0.9
83.01270	1.5
85.02824	3.1
87.00739	1.2
88.66004	0.7
89.02315	4.8
89.03850	1.1
91.01772	4.0
93.03314	8.3
95.04865	1.0
96.95912	0.9
96.99190	5.6
97.85966	0.8
99.00762	1.0
101.02306	5.8
102.98460	1.5
104.98060	0.9
108.02063	2.1
109.02827	8.1
111.00726	1.2
113.02316	4.2
114.49564	0.7
117.03355	3.2
119.03374	1.4
119.04875	1.0
120.99548	4.3
121.02837	2.3
123.04410	9.0
130.38281	0.8
133.02783	1.3
134.03618	28.6
135.04376	2.9
136.99019	1.0
137.02350	15.2
138.06758	2.1
145.02852	4.6
146.03625	11.9
147.04417	3.7
148.01555	1.3
148.05150	1.0
149.05978	2.9
150.03072	1.8
151.03842	0.9
153.05525	1.0
153.09073	4.2
158.03627	8.6
159.04416	18.7
160.01590	1.8
161.04457	3.1
161.05986	4.6
163.03911	2.6
173.05962	6.3
174.06210	1.1
175.03973	1.7
175.63853	0.9
177.01819	1.0
178.02603	2.7
179.03375	1.6
193.04971	11.3
200.38889	1.0
225.11441	0.8
225.14902	10.1
226.15027	0.8
227.03439	2.5
234.92267	1.0
239.07100	1.7
241.05026	2.1
250.06258	1.2
256.07462	0.9
257.11914	0.8
266.05737	6.1
267.06613	6.2
268.07312	2.8
269.08121	1.9
270.98956	1.2
271.02448	3.6
271.09799	3.5
280.07471	1.7
281.08160	13.0
282.08963	5.1
283.09662	4.1
284.10590	2.5
295.06082	11.8
296.06522	1.5
299.09293	4.0
299.99277	1.0
309.07718	2.3
310.08475	10.7
325.07053	1.2
325.10654	9.6
326.97772	2.0
343.08261	2.1
354.07272	2.0
369.09885	5.1
387.10876	100.0
387.24222	4.4
388.11224	13.3
388.15671	1.4
401.75891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1654
Annotation	(+)-Eudesmin
Peak:m/z	Relative Intensity
58.91277	0.6
59.01252	3.6
59.82117	0.6
68.80336	0.6
71.01241	1.0
72.94871	0.6
73.02779	0.7
95.01243	2.0
96.95876	3.0
100.34135	0.6
109.02826	1.8
119.04909	0.9
121.02825	2.5
123.00774	3.6
123.04387	1.2
124.01524	0.7
125.02341	0.7
127.39247	0.8
127.49491	0.7
134.03613	2.7
135.04420	7.1
136.01561	2.1
137.02312	2.6
147.04416	2.3
149.02350	10.7
149.05954	1.2
150.03128	17.1
151.03922	10.0
164.04660	2.4
165.05458	0.9
174.03194	1.2
176.04654	0.8
177.05467	1.8
190.02599	0.9
200.89485	0.7
205.05009	1.2
241.04813	0.9
266.05844	1.6
267.06622	2.3
270.08823	0.9
279.19586	2.2
281.08203	9.0
283.06146	1.1
285.07474	0.9
287.05865	0.7
295.09723	2.5
299.09109	1.0
311.12753	1.2
311.22345	3.1
312.09949	1.2
313.07144	1.1
313.10788	19.4
314.11127	2.8
327.12360	19.3
328.12805	2.2
339.12045	1.1
341.14023	2.7
342.14651	1.9
370.14191	31.9
371.14499	3.2
374.13733	0.8
385.16513	100.0
385.20575	6.7
386.16824	13.0
386.21231	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	385.1655
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
57.03312	0.8
59.01242	4.0
61.57054	0.7
71.01247	1.1
72.13586	0.6
81.78595	0.6
83.04872	1.1
95.01246	0.8
97.02831	0.7
98.19730	0.9
101.24621	0.6
107.04898	1.2
108.02044	0.7
109.02827	6.3
121.02839	3.5
123.00751	1.5
123.04412	3.6
124.65477	0.6
126.79204	0.5
134.03592	1.0
135.04410	1.8
136.01572	1.0
137.02330	15.2
137.03325	1.0
138.03122	3.3
139.03860	0.6
147.04399	1.8
149.02336	1.7
149.05977	2.1
150.03128	1.8
151.03897	10.5
152.04387	0.7
161.02353	0.8
161.05972	2.0
163.03900	3.1
163.07603	0.7
164.04688	1.4
165.05510	2.0
175.03918	1.0
177.05499	1.5
178.84996	0.6
178.86610	0.6
179.06950	0.7
189.05472	0.7
192.04227	0.6
200.04712	0.6
255.06529	1.0
269.05472	0.6
269.08173	3.7
271.05951	0.9
279.19666	6.9
281.08105	0.8
299.09186	1.4
301.10782	5.0
313.10742	2.9
324.13425	0.6
327.12323	1.7
339.12280	3.8
340.09348	0.7
341.14017	1.2
353.14120	0.9
355.11768	4.2
369.13379	1.5
370.14178	60.9
371.14536	5.3
377.73087	0.6
385.16537	100.0
386.16943	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80552	0.7
58.99467	1.2
59.01247	100.0
60.01583	1.0
69.03333	1.1
71.01247	8.5
71.50657	0.9
72.99183	1.1
73.02821	1.6
75.00745	0.9
81.03350	0.7
83.01279	1.3
85.02828	2.0
87.00755	1.5
87.51385	0.7
89.02312	5.5
91.01743	1.1
93.03344	1.4
95.01276	0.9
97.02837	1.3
99.00764	0.9
101.02324	2.8
102.98467	9.4
104.53243	0.8
109.02849	1.6
113.02337	2.6
115.00314	1.0
119.03416	2.0
119.04944	1.6
120.99565	1.9
121.02875	2.3
123.04408	0.9
125.02374	2.7
135.02859	1.0
135.04433	2.5
137.02371	3.1
146.03645	1.1
147.00822	2.8
149.02373	2.0
151.00243	1.1
151.03842	0.9
151.07571	0.7
151.11180	0.9
153.09135	2.7
161.04576	1.0
163.00566	0.9
163.03918	1.3
164.01149	0.9
164.04738	3.6
165.01869	2.3
167.03447	1.1
169.06793	0.9
175.00404	1.7
175.03929	0.8
179.03447	2.3
179.05528	1.1
179.07059	1.1
179.10698	9.0
190.02628	3.3
191.03429	0.9
205.04980	3.7
205.12283	2.3
206.05701	1.0
208.03601	1.3
208.11029	1.6
209.00842	6.8
221.08160	1.1
223.06053	5.0
223.13301	6.1
229.08731	0.8
231.72284	0.8
237.09529	0.9
265.07242	2.6
295.08395	1.8
325.09238	3.9
341.16028	1.2
385.04605	2.1
385.12585	2.4
385.22617	1.3
386.13559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38848	1.6
57.03325	15.2
59.01249	5.0
61.45982	1.6
69.03338	3.8
69.20429	6.5
69.20856	12.7
71.01264	5.0
75.88513	1.9
79.11279	2.2
81.03329	12.8
83.01251	15.0
89.02307	2.6
93.03312	3.1
93.65110	1.6
95.01251	3.0
95.04903	5.9
97.02804	9.8
99.04379	6.7
107.04896	3.0
109.02825	7.4
111.00823	1.6
121.02847	7.0
122.03651	6.1
123.04426	4.2
124.01549	2.0
125.02331	76.0
125.03255	4.2
126.02708	2.8
135.04362	5.1
137.02339	100.0
138.02705	3.1
139.03925	3.0
146.03633	22.1
147.04408	3.3
149.02350	3.9
149.05998	4.1
151.03902	6.2
159.04419	5.0
160.05122	3.2
161.05989	4.0
163.03902	2.1
164.01060	27.1
165.01833	75.6
166.02254	3.8
167.03415	38.8
168.03702	2.5
172.05237	7.8
172.42548	1.7
173.05943	13.1
174.03178	11.8
174.06717	5.6
175.03903	6.1
175.07553	41.5
176.04694	11.9
176.07872	2.5
177.01831	13.1
179.03423	20.6
179.10710	1.9
181.05003	2.8
185.05939	1.9
186.06812	2.7
187.03949	4.3
187.07545	10.4
189.05510	2.1
189.09154	5.6
190.02695	8.2
190.06274	2.5
191.06995	3.3
199.07582	3.0
200.04755	8.0
201.05440	5.6
201.09128	5.9
202.06244	3.5
203.07066	19.2
204.04175	3.4
205.05000	2.2
205.08626	9.4
210.06863	2.5
211.03845	3.0
211.07539	2.9
212.04793	3.9
213.00049	1.7
213.09068	3.0
215.07111	2.6
216.07889	2.1
217.08609	18.2
225.05466	3.8
226.06238	4.4
227.07091	2.2
227.10658	1.9
229.08656	44.5
230.09097	3.7
237.09169	2.8
239.07144	3.6
239.10693	5.8
241.08678	5.8
244.07413	3.1
247.09740	12.5
251.06943	2.0
252.07919	2.7
254.05721	2.1
254.09407	3.9
255.10277	7.3
257.11826	3.6
265.08722	2.4
268.07346	4.0
269.08075	2.9
273.11267	3.1
281.11716	10.1
283.09805	6.4
288.06247	3.6
294.09024	3.3
297.11194	8.2
299.12897	9.5
301.10992	2.0
305.11661	2.5
323.12878	28.9
324.13190	4.0
325.09851	2.2
341.10220	3.6
341.13925	4.8
349.10568	3.9
353.11667	2.0
367.11847	65.4
368.12097	7.5
385.12936	41.7
386.13394	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	385.1293
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
57.03320	12.5
58.99467	1.1
59.01243	7.7
65.03809	1.0
67.01740	1.2
69.03319	3.6
69.32558	4.4
69.32983	3.6
71.01247	4.6
73.02801	1.5
77.03815	1.4
81.03326	8.7
83.01249	12.8
83.04881	1.7
84.05168	0.8
85.02823	2.3
87.00763	0.9
89.02309	1.5
91.01778	0.8
93.03325	3.8
95.01265	2.3
95.04900	7.5
97.02831	10.3
99.04382	4.0
101.02316	1.5
102.98466	5.3
107.04895	3.0
108.02003	1.3
109.02824	8.7
111.00768	1.0
111.04408	1.1
113.02270	1.3
121.02839	8.4
121.06515	0.9
122.03641	5.8
123.00810	1.1
123.04419	5.3
124.01547	3.0
125.02332	74.6
126.02685	2.2
129.06985	0.8
131.04886	1.3
133.02841	1.6
134.03546	1.1
135.04379	5.0
135.07970	1.1
136.01479	1.0
137.02335	100.0
138.02766	3.4
139.03859	3.3
145.06416	1.1
146.03639	23.6
147.04370	3.5
148.05118	2.2
149.02310	2.4
149.05980	3.9
150.03064	1.2
151.03911	5.8
154.02596	1.8
157.06496	1.6
158.03613	1.3
159.04390	5.5
160.05122	1.4
161.02371	2.7
161.05951	2.7
162.03032	1.1
163.00327	1.6
163.03893	2.0
163.07639	1.5
164.01060	33.9
165.01839	80.1
166.02257	3.6
167.03400	38.6
167.05830	1.8
168.03772	1.6
171.08029	1.0
172.05199	4.6
173.04604	1.8
173.05991	18.9
174.03120	12.8
174.06769	7.4
175.00316	0.8
175.03954	4.8
175.07562	38.3
176.04689	12.1
176.07945	2.9
177.01845	13.7
177.09026	1.2
178.02269	0.8
179.03419	20.2
179.10715	1.8
181.05019	1.0
185.05901	2.5
186.06773	2.9
187.03975	5.2
187.07565	10.0
188.04610	2.7
188.08067	1.3
189.05415	3.6
189.09138	6.0
190.02618	7.2
190.06215	1.3
191.03348	3.4
191.07063	2.0
197.05911	1.2
199.07518	3.2
200.04695	7.9
200.08395	1.3
200.84494	0.9
201.05489	5.8
201.09146	8.6
202.06308	4.6
203.07043	20.5
204.04135	4.7
204.07471	1.9
205.04915	2.2
205.08577	8.3
206.05574	1.0
211.03932	2.5
211.07536	2.8
212.04642	1.3
213.05594	1.4
213.09122	3.1
214.06276	2.1
215.07021	3.5
216.07788	2.0
217.05058	1.4
217.08630	15.6
218.09032	1.4
222.06731	1.5
223.05907	2.0
224.08321	0.9
225.05515	3.9
226.06300	4.7
227.07063	2.8
227.10651	1.7
228.07877	1.3
229.08629	34.6
230.09044	3.1
237.05469	2.2
237.09169	1.9
239.07088	2.8
239.10606	4.9
240.07722	3.0
241.08644	4.9
242.09291	1.2
244.07370	3.3
247.09689	10.1
250.06270	1.0
251.07053	2.4
252.07817	1.8
253.04990	2.1
253.07898	0.9
253.12241	1.8
254.05617	1.6
254.09387	3.0
255.10199	5.4
256.10507	1.4
257.08148	1.0
257.11746	3.9
264.07684	1.4
266.09360	0.9
267.16006	1.7
268.07321	5.1
269.07959	1.6
270.08871	2.8
273.11292	2.4
279.09991	1.2
281.11832	8.4
282.08829	1.6
283.09680	8.0
288.06412	2.3
294.08884	4.8
297.06784	1.0
297.11276	6.1
298.11963	1.6
299.12848	9.4
301.10812	2.1
323.12860	32.4
324.13171	3.4
325.10431	2.4
326.07687	6.4
341.10172	3.8
341.13998	3.9
349.10956	2.2
367.11810	76.7
368.12195	9.0
385.12903	42.1
385.17059	0.8
385.22272	1.7
386.13223	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59047	0.3
55.01743	0.3
56.02443	0.3
58.00467	0.7
59.01250	17.2
60.01569	0.3
60.96713	0.3
61.98704	0.4
63.29718	0.3
69.41147	1.0
69.41576	1.5
71.01248	7.5
72.99179	0.5
82.67047	0.3
84.42988	0.3
85.02828	1.9
87.00737	0.5
89.02312	5.1
91.01756	1.4
93.03385	0.4
94.03633	0.3
95.01247	1.1
101.02322	2.5
104.62615	0.3
113.02347	1.8
119.01274	6.7
119.03412	1.4
120.99440	0.3
121.02838	1.6
133.02817	1.4
135.04439	0.4
147.00784	5.4
149.02345	7.9
152.01172	0.3
161.02374	3.8
162.03101	1.0
163.03912	0.6
164.04686	8.0
165.01909	2.1
175.00279	44.8
176.00580	2.4
177.05542	0.4
179.07019	1.5
189.01843	1.3
190.02637	100.0
191.03003	6.8
193.01317	0.4
205.04997	75.1
206.05386	4.9
208.03664	1.0
217.01379	0.9
221.08093	1.4
223.06050	8.9
224.06392	0.5
232.03734	1.2
247.06088	3.3
265.07138	1.8
292.87427	0.3
295.08133	0.4
325.09207	1.3
350.34048	0.4
385.11423	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	385.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24494	0.5
56.01308	0.5
57.03325	2.4
59.01240	2.7
59.65781	0.5
65.03825	1.0
68.99687	0.9
69.03319	2.8
70.90180	0.5
71.01252	1.2
71.51745	0.6
71.92000	0.5
72.97393	2.8
73.02830	0.6
75.00763	0.8
77.03853	0.7
83.01257	10.7
83.04894	0.6
84.42646	0.5
85.02813	0.6
85.32514	0.5
93.03323	3.3
94.64631	0.6
95.01281	0.7
95.04901	1.2
97.02847	3.8
101.02345	0.7
101.80554	0.6
102.10018	0.5
102.98471	6.6
107.04900	3.2
108.02029	1.6
109.02831	7.2
120.99560	0.9
121.02831	5.2
122.03634	11.3
123.00779	0.7
123.04453	0.7
124.01560	3.9
125.02341	12.8
126.02663	0.7
134.97487	1.0
135.04437	1.3
136.01591	1.0
137.02339	100.0
138.02917	3.4
139.03883	1.3
148.01549	0.6
149.02365	4.3
150.03128	6.7
150.93480	0.5
151.03928	5.5
154.02582	2.9
159.04398	2.0
161.02399	2.7
162.03108	0.6
163.00468	0.6
164.01054	8.6
165.01840	78.2
165.09096	0.6
166.02235	4.3
167.03398	1.8
172.05212	1.3
173.05998	1.8
175.03889	1.7
176.04642	0.6
177.05490	1.3
179.03436	7.2
181.69345	0.5
183.04491	0.6
188.04749	0.6
190.02544	0.7
194.38521	0.5
200.04620	0.7
201.05495	4.2
201.09155	2.5
202.06071	0.7
203.03418	0.8
205.67838	0.5
215.07040	0.7
219.06548	1.2
220.07405	0.6
225.05606	0.6
226.06224	0.7
229.08792	0.7
241.05014	1.2
243.06609	1.5
244.07436	0.5
259.06036	0.9
269.04462	2.3
270.05270	1.0
275.03497	0.5
287.05685	6.0
288.06387	26.1
289.06705	2.2
319.14899	0.6
325.09174	0.6
343.20959	0.7
367.11810	2.3
385.07990	1.1
385.12869	20.1
385.21927	1.2
385.26273	1.3
386.13229	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72139	1.1
55.01743	1.6
55.32195	1.2
56.86740	1.2
57.03283	1.3
58.00463	1.6
59.01245	46.2
69.71544	2.6
69.71957	3.9
71.01250	38.6
72.99181	2.6
73.02824	3.8
83.01253	3.4
84.06144	1.2
84.64421	1.3
85.02827	10.8
87.00738	2.9
89.01766	1.4
89.02315	24.9
95.01260	2.7
96.21809	1.2
99.00757	4.3
101.02322	19.7
105.01802	1.8
113.02330	14.4
119.01279	2.8
119.03387	6.9
121.02821	4.5
125.02321	1.6
134.08835	1.1
135.04384	3.1
138.06760	4.9
139.07535	3.9
147.00768	1.7
148.39630	1.2
149.02342	33.4
150.02747	1.5
151.07561	7.5
152.01027	1.6
152.08324	13.8
153.09114	28.7
154.09415	1.3
159.02869	1.7
161.02342	2.2
161.04428	5.4
163.03926	10.6
163.11143	1.4
164.04695	46.3
165.01866	1.7
165.03925	11.7
165.05209	3.0
166.02660	1.2
175.00264	20.3
177.01759	1.3
177.05464	5.3
178.06192	2.2
179.03360	2.2
179.05516	2.6
179.07028	18.1
181.05042	1.6
190.02631	60.3
191.03354	9.0
193.01369	3.7
193.04924	1.6
193.08641	3.1
203.07045	2.1
205.04990	78.6
205.12254	8.5
206.02176	1.4
206.05757	22.7
207.02866	7.9
208.03725	12.5
221.06155	1.6
221.08134	26.3
222.08540	1.8
223.06061	100.0
223.13280	3.7
224.06380	7.0
232.03613	1.4
235.02385	2.8
237.07605	10.0
247.06062	9.1
250.04706	5.8
251.05348	1.5
251.09148	2.4
265.07150	85.8
266.07477	5.0
295.08203	49.6
295.11578	2.5
296.08456	5.1
296.89911	1.3
307.08090	1.9
325.09256	87.9
326.09622	10.4
385.11328	3.3
385.18976	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04666	1.0
51.06365	1.2
59.01245	8.4
65.80936	1.1
67.65691	1.0
71.01250	6.6
71.50278	2.0
72.99171	2.7
73.02807	1.9
75.00731	3.7
81.03346	1.4
83.01231	3.5
85.02828	7.8
87.00739	6.4
89.02265	1.6
89.03154	1.2
95.01241	3.0
95.92699	1.2
99.00775	2.0
101.02304	3.4
104.16556	1.3
107.37510	1.2
113.02337	2.1
115.00267	8.0
116.69391	1.3
123.00768	11.0
132.84483	1.2
135.04405	2.4
137.02335	1.4
149.02345	3.0
151.03935	1.5
156.20616	1.3
157.21983	1.1
163.03862	2.5
164.04683	3.5
167.69917	1.3
174.01611	69.6
175.00345	3.2
175.02299	9.7
175.03864	2.4
177.01872	1.6
179.03383	5.2
179.07022	2.3
190.02704	5.9
191.03456	1.4
194.05771	1.6
205.04985	6.9
209.08113	2.4
209.35146	1.1
223.02411	4.1
223.05989	6.0
239.09233	1.6
247.06088	2.8
251.09012	1.7
267.08682	4.3
279.08401	1.3
284.82657	1.2
295.08231	11.1
325.09189	13.3
385.11380	100.0
386.11798	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45681	0.6
55.01771	1.2
57.03321	1.4
58.00462	0.6
59.01252	100.0
60.01595	1.8
69.03333	2.1
69.40849	2.2
69.41281	2.5
71.01250	23.8
72.99196	1.9
73.02827	7.2
83.01261	3.0
85.02824	9.2
87.00761	2.7
89.02318	7.8
95.01293	1.7
96.95882	0.8
97.02841	1.2
99.00770	4.7
101.02323	15.5
102.30563	0.6
109.02869	1.1
113.02338	10.6
114.27541	0.6
116.04919	1.3
119.03399	2.7
125.02345	1.4
129.01901	0.9
133.02901	0.8
135.04413	8.4
143.03432	2.0
143.04929	1.3
153.39136	0.6
159.02965	3.2
161.02368	2.6
161.04468	24.2
161.05830	1.4
162.04771	0.9
165.89453	0.6
175.03896	1.0
177.01848	0.9
179.03439	2.4
179.05586	1.0
185.00914	1.5
187.40594	0.6
192.04411	0.6
193.05066	1.2
203.03410	1.3
203.10757	0.7
205.03415	1.2
207.06583	0.7
223.06261	0.6
229.01414	0.6
264.07913	0.6
265.07196	2.0
281.06659	1.0
323.11572	6.2
383.10016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.9
58.16870	0.6
59.01247	100.0
69.03320	0.7
71.01250	22.3
71.04886	2.4
71.51328	1.4
73.02813	1.6
77.70932	0.7
80.44295	0.7
83.04903	1.3
85.02815	1.5
87.00768	3.1
89.02324	1.5
93.03334	0.9
95.01297	0.9
96.95889	2.4
97.06459	0.8
101.02300	1.2
112.65347	0.7
113.02332	1.0
115.00251	17.1
119.03351	0.8
123.00729	1.1
124.01580	1.0
125.02329	1.7
133.01334	6.7
135.04388	1.1
137.02345	0.8
151.00316	0.7
161.09636	1.1
161.13263	2.0
163.11211	1.6
166.73755	0.7
177.09166	0.8
178.99960	0.8
187.11099	0.9
205.12233	1.3
207.10190	1.7
221.11780	0.8
223.13335	78.9
224.13696	6.0
232.03786	0.8
253.09164	0.8
267.12360	37.0
268.12738	2.5
282.01736	1.2
301.03766	1.2
323.09909	1.0
341.10745	1.2
341.19672	2.2
383.04010	1.8
383.12732	1.0
383.17044	1.4
383.21078	1.8
384.13742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.9
71.01250	3.5
71.29852	1.8
71.30193	2.2
79.37836	1.3
80.02538	5.1
85.02825	3.1
87.00762	1.4
89.02331	2.1
93.03348	9.2
95.01238	3.5
99.00761	1.8
101.02302	2.3
108.02049	23.1
109.02470	1.2
111.00727	1.8
113.02296	1.7
119.04887	2.5
121.02833	15.3
125.02313	3.0
129.33858	1.1
131.04913	2.9
133.02840	18.3
135.04398	5.2
137.02324	3.8
147.04388	4.8
148.01563	46.2
149.02293	5.2
150.03081	2.9
151.03984	2.6
161.02341	2.3
163.00328	1.3
163.03899	4.3
165.01860	1.3
172.00058	1.7
173.04564	1.6
175.03931	8.9
176.01064	83.8
177.01852	51.7
178.02216	2.9
179.03410	1.6
191.03387	3.2
191.05380	1.3
192.00507	2.7
203.03412	4.6
207.02846	1.3
220.00009	4.4
266.69177	1.4
311.17075	1.2
339.07159	61.1
340.07462	6.2
343.54254	1.2
363.13263	1.2
383.06155	100.0
384.06540	8.7
409.21973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11613	6.5
50.11908	5.4
53.39362	7.4
59.01248	46.7
69.03324	6.6
69.94198	18.7
71.01250	41.9
73.02833	7.1
75.00776	8.8
79.80193	6.3
85.02821	7.7
87.00740	10.8
87.92046	6.2
87.95275	5.7
89.02293	18.6
99.00756	60.1
101.02286	13.5
102.98511	7.6
110.35471	6.1
111.00792	8.3
113.02316	14.1
121.02805	9.1
134.03517	11.1
135.04407	8.1
138.03082	8.7
147.04396	12.3
149.02330	20.7
159.04381	11.8
161.02336	21.3
161.04404	10.9
162.03091	9.9
163.03912	19.2
164.04671	15.2
171.51410	8.2
173.02406	15.1
175.03918	53.8
176.04626	13.8
177.01884	55.3
177.05426	31.9
178.02597	14.6
178.06235	11.6
179.03374	15.3
179.06967	13.9
186.43491	6.9
187.03883	13.8
188.04698	25.9
189.01816	9.4
189.05440	26.5
190.02602	16.7
190.06264	17.3
191.03426	34.9
192.04210	62.9
192.07788	6.4
193.04993	22.9
193.08569	10.2
199.03899	8.2
203.03419	79.8
203.05167	8.8
203.06975	33.8
204.04010	8.9
205.01369	17.3
205.04973	34.2
205.08630	12.4
206.05629	9.7
207.02876	10.0
207.06558	100.0
208.07199	17.2
214.06342	14.2
216.04121	11.3
217.04984	39.8
218.05762	34.9
219.02945	32.9
219.06516	10.0
220.03685	26.0
220.07408	12.4
221.00870	7.5
221.04478	12.6
221.08044	9.4
223.05919	11.4
224.03189	9.4
231.02786	10.0
232.07373	33.7
233.00877	10.5
233.08032	22.0
234.05357	31.3
235.06032	43.6
235.09692	12.0
236.06560	7.7
237.07768	10.9
247.09714	96.5
249.04012	8.7
249.05132	6.8
249.07629	80.4
251.05135	7.5
251.09213	40.8
261.07721	47.5
262.04974	6.1
262.08020	7.3
263.05557	12.0
265.07095	44.9
277.07236	7.5
279.08725	41.4
281.06656	52.6
295.08307	11.9
301.06931	7.1
323.07504	52.4
339.10727	16.0
341.10886	11.6
383.09912	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
62.43118	0.2
69.18600	2.3
71.01259	2.5
89.02295	0.4
92.04930	5.5
101.02305	0.4
107.26460	0.3
113.02349	0.4
113.05985	0.3
115.00253	4.4
116.04953	0.4
117.03332	0.3
145.02815	0.4
161.02376	1.9
173.02301	1.4
174.03186	1.3
187.03897	0.8
192.08250	0.6
195.04379	0.4
203.07339	1.9
204.08153	3.9
205.08522	0.3
206.06314	0.3
217.18169	0.2
220.07620	4.3
220.14664	0.7
221.06119	0.3
221.08029	0.3
222.09186	1.0
233.04773	1.4
234.05432	0.3
238.05084	0.3
238.08664	0.3
246.05632	0.5
247.06355	3.2
248.07137	48.8
249.07478	4.5
250.05061	1.9
251.05833	5.1
252.06274	0.5
264.06689	0.5
265.07410	5.3
266.08215	100.0
267.08554	9.4
267.10980	0.2
276.10287	0.7
278.08337	0.4
279.08966	0.7
294.11353	3.6
295.11707	0.5
302.03799	0.7
338.10342	7.4
339.10568	1.2
341.10776	0.3
382.09204	1.8
401.94583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71754	0.4
87.87685	0.3
89.02345	0.5
93.56932	0.4
121.02872	0.4
131.04871	0.3
145.02895	0.4
151.00279	1.4
163.03937	1.8
173.02339	3.4
174.03136	38.4
175.03766	4.3
178.99718	0.5
186.56175	0.4
187.03880	2.1
188.04199	0.4
201.01866	1.6
211.03818	0.7
217.01385	2.6
217.04955	3.1
218.02144	100.0
219.02603	8.9
220.03215	0.4
229.05031	3.4
243.02933	1.5
247.06015	2.7
261.04007	1.9
291.05133	1.2
301.03525	5.1
302.03912	0.6
305.59570	0.3
381.08221	12.6
382.08704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.2
61.98704	0.8
67.33280	0.6
70.85044	1.7
78.95768	2.6
107.01219	1.0
107.63099	0.6
117.03299	0.9
121.45332	0.6
132.02028	0.7
145.02858	1.3
151.00244	2.2
160.01584	0.8
161.02327	3.5
163.03891	1.0
166.02637	0.6
173.02338	1.3
174.03137	5.4
175.03854	1.2
178.99802	0.8
183.04430	0.8
184.87091	0.5
187.03894	0.6
195.04434	1.9
198.03149	3.1
209.05963	0.8
213.05461	0.9
219.04407	1.0
221.05960	2.1
221.81418	0.6
226.02669	0.8
227.03461	0.7
233.05911	2.3
234.06560	0.6
237.05511	7.5
245.22383	0.6
247.03966	19.5
248.04614	3.6
249.05510	3.6
250.06183	1.2
251.20238	0.6
256.74289	0.7
260.04678	1.4
261.05496	7.7
262.06247	1.6
263.03525	0.9
264.04282	2.2
265.05032	21.3
266.05377	2.8
275.03485	17.3
276.04208	4.1
277.04993	3.6
278.05768	1.7
288.04358	1.8
289.05048	17.3
290.05814	20.8
291.03214	1.0
291.06265	2.4
292.03815	6.8
293.04550	68.0
294.04959	8.8
301.03574	6.2
305.04581	3.5
305.08231	4.5
306.05338	8.4
306.08508	1.1
307.06122	7.7
308.06891	100.0
309.07300	12.7
316.03699	2.4
317.04385	1.4
321.07700	1.6
322.08377	9.6
323.08691	1.2
333.04062	7.5
334.04803	23.6
335.05225	3.9
349.07153	33.3
350.07449	4.4
354.14230	0.6
366.07397	1.4
381.09781	44.4
382.10147	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	380.9919
Annotation	Quercetin 7-O-sulfate
Peak:m/z	Relative Intensity
63.02275	2.0
63.02599	0.7
65.00189	4.2
67.22929	0.9
83.01250	2.9
93.03383	1.1
98.20568	2.0
107.01265	7.7
109.02828	1.5
121.02845	9.5
149.02429	0.9
151.00273	53.8
152.00607	1.3
163.00293	2.1
169.01312	1.2
178.99776	23.8
179.01328	1.5
187.03926	0.8
193.01425	1.5
218.02086	1.1
227.03467	1.6
229.05040	2.2
229.30562	0.9
245.04463	1.8
255.02873	1.3
257.04565	1.2
273.04016	3.5
283.02609	1.3
299.01987	1.0
301.03519	100.0
302.03918	8.2
380.99286	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	380.9919
Annotation	Quercetin 7-O-sulfate
Peak:m/z	Relative Intensity
51.18907	0.2
58.94542	0.2
59.01246	3.6
60.55857	0.3
63.02265	3.0
65.00195	5.2
69.32760	0.6
69.33157	2.2
70.58304	0.2
71.01286	0.3
83.01257	3.8
93.03312	1.7
95.01264	0.4
96.95852	0.4
98.19790	0.6
107.01266	11.0
109.02823	2.3
111.00740	0.4
121.02842	10.8
124.01557	0.4
125.02326	0.5
135.02878	0.4
135.04434	0.3
139.03900	0.9
148.01646	0.3
149.02330	1.7
151.00266	41.0
152.00574	1.6
159.04407	0.9
161.02420	0.6
163.00291	2.4
163.03903	0.5
164.01047	1.0
165.01843	0.4
167.07867	0.3
169.01317	3.1
171.04352	0.3
173.06027	0.5
174.03131	1.7
175.03882	0.6
178.99771	17.4
180.00101	0.6
183.04417	0.5
187.03909	0.7
192.00562	0.5
192.94666	0.3
193.01404	0.6
199.03987	0.5
201.05519	0.7
203.03368	0.5
205.04974	0.5
211.03903	1.0
217.04886	0.3
218.02165	3.7
219.02644	0.3
227.03342	1.4
229.04939	1.5
231.02991	0.5
238.59895	0.3
239.03450	0.4
240.04207	0.3
243.03058	0.4
245.04520	2.1
255.02956	2.2
256.03702	0.7
257.04474	0.6
271.02243	0.3
273.03986	3.1
278.02551	0.3
283.02429	0.7
293.04932	0.7
299.02057	0.7
301.03513	100.0
302.03860	7.1
380.99170	4.9
381.07901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
58.00467	3.4
59.01247	82.3
69.03319	1.9
69.57477	7.4
71.01250	67.1
72.01586	1.6
72.99193	4.2
73.02818	13.6
73.11863	1.1
75.00736	1.9
83.01254	3.4
85.02824	10.2
87.00748	3.0
89.02313	100.0
90.02679	1.1
92.49403	1.0
95.01286	2.4
97.02821	4.1
99.00758	18.1
101.02322	40.0
109.02855	1.1
113.02320	20.6
113.03076	1.6
119.03387	19.2
125.02370	4.9
131.01694	1.0
131.03400	16.2
135.02870	2.3
135.04416	2.5
137.09633	1.1
139.00339	1.1
143.03429	3.3
149.04456	44.3
150.04834	1.9
151.00638	1.5
155.10716	4.5
161.04457	4.5
161.16550	1.0
179.03496	1.2
179.03986	1.3
179.05531	11.1
181.08554	1.2
191.05521	9.4
199.09686	7.0
217.10718	2.6
217.27002	1.0
219.36183	1.0
233.06711	1.0
241.04036	1.0
247.11906	2.7
251.07591	2.3
260.55389	1.2
265.68289	1.1
286.30850	1.1
301.07306	1.9
311.38043	1.1
319.14288	1.5
379.16107	40.0
380.16516	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.23135	1.5
53.82269	1.9
55.01744	3.3
58.00456	5.0
59.01247	100.0
63.66113	1.7
69.34892	3.3
69.35313	9.7
71.01250	81.8
72.01591	1.6
72.99178	8.8
73.02797	8.4
75.00764	6.1
76.60906	1.5
83.01245	5.9
83.04915	2.2
85.02814	16.5
87.00757	4.8
87.04369	2.8
89.02315	96.5
90.02637	1.9
95.01260	6.4
99.00780	7.8
101.02322	43.2
113.02323	30.1
119.03397	30.6
119.04775	1.7
125.02329	4.9
129.01814	3.8
131.03386	46.9
135.02887	5.3
135.04399	3.4
143.03424	7.7
149.04459	12.7
161.04477	11.4
169.01305	1.8
175.49191	1.6
177.03838	3.9
179.05525	18.8
191.05536	13.8
201.11334	2.1
247.11809	15.5
264.76569	1.7
379.16104	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.9
59.01247	100.0
65.07913	2.2
69.03318	4.4
71.01247	63.7
72.99174	10.3
73.02814	23.3
75.00738	7.9
83.01263	4.0
83.04886	4.0
85.02823	21.6
87.00738	8.9
89.02312	73.8
93.03331	2.3
95.01270	4.9
97.02853	3.6
99.00755	74.4
101.02311	30.7
106.66534	2.5
109.02818	6.8
113.02328	36.4
119.03381	19.1
119.04893	3.5
131.01608	2.1
131.03381	10.3
132.99519	4.9
135.02838	9.9
135.04402	11.0
136.04678	3.2
149.04462	27.1
151.00542	7.0
155.10623	5.8
157.08574	7.5
161.02271	2.8
161.04449	14.6
174.05463	3.3
179.03419	3.6
179.05525	9.4
181.08644	2.9
184.04294	2.2
191.05525	29.0
199.09596	8.0
217.10712	9.2
224.12804	2.8
233.06636	6.6
247.11778	5.9
285.08936	2.9
319.13977	3.0
379.16068	62.3
379.23465	5.4
380.16260	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	379.013
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
59.01247	3.3
60.27856	0.5
71.51202	0.4
71.51553	0.5
73.00417	0.4
78.63823	0.4
78.70338	0.5
81.21532	0.4
96.95883	0.6
99.00813	0.5
101.02290	0.7
108.15532	0.3
113.02348	0.7
113.60047	0.4
118.97993	0.9
145.02782	0.5
175.03894	1.1
183.04399	0.8
184.05223	0.8
210.03192	0.5
211.03952	10.9
212.04216	0.5
227.03433	21.4
228.03893	2.0
239.03448	55.4
240.03853	3.6
255.02957	70.3
256.03665	22.0
257.04041	1.2
277.04819	0.8
284.03241	78.5
285.03577	5.4
293.04550	1.0
299.05588	100.0
300.02728	0.5
300.05920	8.7
303.03030	0.5
305.04520	1.0
321.03900	1.8
349.03131	0.7
351.08807	0.9
364.05972	0.7
379.01196	5.6
379.08206	4.1
380.01227	0.5
380.08514	0.6
388.62161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0127
Annotation	Hispidulin 4'-sulfate
Peak:m/z	Relative Intensity
59.01247	6.1
68.86124	0.5
69.03320	12.4
69.20363	6.3
71.01252	2.0
79.95606	11.5
81.50134	0.6
82.11377	0.6
85.02871	0.6
89.02308	1.6
93.03330	0.9
95.01256	0.6
96.95882	1.1
97.02824	2.3
99.00769	3.1
101.02318	1.2
109.02807	0.8
121.02857	0.6
135.04358	0.9
141.01833	0.7
158.03635	2.1
159.04352	1.2
164.01059	0.6
171.04446	2.1
172.05167	1.7
173.06018	0.7
179.03401	1.6
183.04402	2.3
185.00819	5.3
198.03128	0.6
199.03922	1.1
200.04709	7.4
201.05334	1.9
210.03101	1.2
211.03954	13.1
212.04347	0.8
217.01297	1.3
226.02734	3.5
227.03439	45.1
228.04150	13.2
229.04631	0.8
238.70753	0.6
241.05008	5.9
242.05362	1.1
243.06570	21.5
244.06880	1.9
254.02199	0.9
255.02962	15.4
256.03726	33.0
257.04028	2.1
260.51733	0.9
269.04526	0.7
271.06076	7.0
284.03210	8.9
285.03790	0.7
297.04071	1.6
299.05585	100.0
300.05936	8.2
303.04956	0.7
379.01276	18.3
379.06201	0.7
379.17041	1.1
380.01468	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	379.0127
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
54.60165	0.5
58.39727	0.5
59.01256	0.5
69.38467	1.6
69.38892	2.7
86.69122	0.5
99.32389	0.5
108.12980	0.4
121.02802	0.5
178.31824	0.5
184.05180	1.3
210.03117	0.6
211.03961	11.7
212.04439	1.0
227.03452	21.5
228.03955	1.9
239.03461	60.8
240.03824	4.2
255.02966	71.0
256.03683	23.4
257.04004	1.8
284.03253	88.6
285.03625	7.2
299.05600	100.0
300.05948	8.9
379.01303	5.1
380.00998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0128
Annotation	Hispidulin 7-sulfate
Peak:m/z	Relative Intensity
59.01237	1.1
69.17899	1.0
69.18319	1.6
72.99194	0.4
78.95772	0.2
79.95611	0.7
84.93648	0.2
93.03332	0.6
94.19582	0.2
96.95878	0.3
109.99987	2.1
133.99979	0.6
135.04486	0.2
136.98683	0.7
137.99481	0.3
152.99542	0.3
161.99448	0.5
168.00658	0.3
175.68991	0.2
177.05882	0.3
183.04401	0.6
194.69705	0.2
200.04745	1.0
211.03859	1.5
212.04662	0.7
217.85674	0.3
227.03439	30.4
228.04042	3.7
239.03398	0.3
243.06622	1.8
255.02956	35.7
256.03641	8.8
257.04077	0.6
259.14529	0.2
271.06122	0.9
283.02451	0.5
284.03247	34.0
285.03555	2.5
299.05591	100.0
300.05951	8.6
300.08582	0.2
379.01239	5.8
379.05728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99826	0.4
57.03338	0.5
58.00455	0.5
59.01252	7.0
59.38132	0.4
63.96111	26.5
65.86918	0.4
65.90880	0.4
71.01267	1.9
72.99182	22.7
73.02825	1.1
73.98180	6.0
73.98521	0.5
74.98970	4.9
80.96400	0.6
83.01255	0.5
85.02818	1.0
85.92797	0.4
89.02348	0.5
91.99311	0.7
101.02345	2.2
111.00754	0.5
117.97194	18.2
120.99563	0.9
121.02854	0.8
132.59154	0.5
135.04399	0.7
135.98257	100.0
136.98686	1.6
137.02325	1.1
142.70293	0.4
144.37094	0.5
161.04503	0.6
166.02554	0.8
214.24016	0.5
216.20879	0.4
239.14702	1.3
262.50174	0.5
329.23288	0.6
331.15305	0.5
375.18378	25.8
375.27426	15.0
376.18741	2.9
376.27594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.5
59.01250	100.0
60.01578	0.9
61.69957	0.5
71.01254	2.3
71.51740	0.9
73.02818	0.8
79.92538	0.4
79.95609	0.6
85.02836	1.4
89.02342	0.6
92.72580	0.6
101.02351	2.0
113.02356	1.5
135.04416	1.1
138.84314	0.4
161.04475	1.9
246.04288	0.4
315.18130	2.8
338.94525	0.4
375.19296	1.1
375.27426	8.1
376.27975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87479	0.7
54.22961	0.7
58.00483	0.9
59.01246	16.1
69.33173	7.7
71.01251	13.9
72.23131	0.8
73.35004	0.8
83.85197	0.8
84.92925	0.8
85.02803	1.7
87.00765	1.3
89.02313	26.6
94.56178	0.9
95.01265	1.2
98.20573	1.3
101.02322	7.8
113.02328	8.1
119.03386	9.5
121.59824	0.8
127.42919	0.8
131.03400	2.0
135.04422	0.9
143.03387	2.7
161.04436	3.6
179.05508	17.9
197.02156	2.3
215.03212	17.7
216.03766	0.9
237.57921	0.7
252.55070	0.9
341.10846	100.0
342.11230	6.6
377.08545	50.5
378.08755	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.5
71.49131	2.5
72.18353	1.7
73.80035	1.8
74.20508	1.9
75.86530	1.7
93.00009	3.8
106.21185	1.8
136.28694	1.9
159.08371	10.3
161.06219	3.1
244.25874	2.0
291.09109	91.8
292.09277	13.0
309.10052	3.0
359.15338	100.0
360.15509	14.6
360.63113	2.1
375.18454	3.3
376.18582	3.8
389.67755	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	373.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.6
59.01248	81.9
60.01583	1.0
69.03325	0.9
69.22687	3.2
70.67353	0.4
71.01266	0.9
71.04887	0.6
73.02797	0.4
80.29030	0.3
97.06468	1.3
99.08020	2.4
101.02368	0.3
110.43533	0.4
111.08023	0.7
113.09609	0.5
123.08058	1.3
125.09625	0.8
127.11170	1.0
129.09091	3.2
135.04425	0.4
137.09634	1.1
139.11195	0.5
141.12735	1.0
143.10645	2.8
151.00414	0.4
151.03996	0.4
151.11156	0.9
155.10710	1.2
169.12265	4.1
183.13831	4.2
183.18428	0.4
185.11725	1.6
213.14876	0.5
251.20125	0.5
269.08261	0.4
269.21262	2.4
277.21643	1.0
285.21072	0.4
295.22754	1.1
299.99066	0.5
313.23810	10.6
314.24237	0.7
325.24045	0.7
355.24698	0.9
358.14368	0.8
373.16870	2.5
373.25909	100.0
374.26254	10.3
390.99316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
71.19972	0.7
71.20296	0.7
74.98944	1.8
91.02044	0.5
92.99960	1.2
118.95387	0.5
149.00885	0.8
159.07169	0.9
159.08369	11.2
161.06294	2.7
176.02396	0.6
192.98050	0.7
209.01231	1.8
217.07175	1.4
218.92381	0.5
225.00671	0.6
275.06042	0.7
277.07501	2.6
289.07565	2.0
291.09088	97.0
292.09216	12.1
309.10202	2.4
310.77130	0.5
314.51923	0.5
342.09625	0.6
357.13748	2.2
359.15332	100.0
360.15460	17.2
375.18387	7.6
376.18610	1.4
377.16318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1656
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
52.62872	0.9
59.01250	30.4
69.03287	0.8
69.18063	8.1
69.18476	2.2
71.01255	2.6
73.02831	1.2
79.95592	1.8
81.03315	1.6
83.01292	1.1
85.02796	2.2
93.03328	3.2
95.04924	1.8
95.77476	0.9
97.02847	2.0
97.06500	1.3
99.04385	2.8
101.02341	1.7
108.02042	2.9
109.02837	2.7
113.02323	1.3
118.86353	0.9
120.99536	4.7
121.02840	27.8
122.03645	9.9
123.04411	45.0
123.08059	3.0
124.01564	2.3
124.04763	2.0
125.09595	0.9
135.04413	32.5
136.05162	1.9
137.02338	4.0
137.05960	11.9
141.12782	1.7
148.05167	1.6
149.05952	2.1
150.03061	2.8
151.03897	2.9
154.02637	3.1
159.04286	0.8
159.64799	1.0
161.05928	1.4
162.06804	0.9
163.03891	1.3
164.08380	1.5
165.01854	1.7
165.05489	2.0
171.10081	1.0
175.03827	1.0
179.03368	0.9
185.11758	1.6
189.09212	1.3
192.07813	3.1
192.37927	1.0
193.08673	6.4
201.17531	1.0
207.10147	2.0
207.13965	2.1
220.07307	3.4
221.08104	4.5
222.08916	63.9
223.09311	4.8
223.11346	1.1
235.09686	7.4
236.10434	1.4
237.11275	84.0
238.11687	5.1
243.99992	2.7
251.12921	1.6
277.21661	3.3
284.96774	2.4
295.22690	1.4
299.99051	4.5
327.98557	3.3
331.24866	1.1
340.13242	1.3
343.00922	16.5
343.24741	1.8
344.01508	1.7
355.15448	4.5
358.03329	8.2
358.14178	6.1
362.16605	1.1
373.05841	3.1
373.16568	100.0
373.25952	49.9
374.16815	11.7
374.26337	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	373.0928
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
59.01219	1.6
63.91340	0.6
69.56745	2.7
69.57168	1.4
71.01231	0.5
71.61539	0.5
75.33102	0.7
79.88179	0.6
98.20579	0.7
121.02807	1.2
131.47879	0.7
148.01564	3.2
148.98727	1.0
149.99451	1.2
153.05429	3.8
163.03938	5.3
164.98187	3.5
168.27711	0.7
169.02795	1.5
176.98254	0.7
177.99010	1.5
178.99667	1.0
180.00534	0.9
184.05153	0.8
185.02364	1.6
186.03084	2.2
193.01350	1.2
197.02357	1.6
201.98308	0.6
206.42897	0.7
213.01862	5.0
225.01956	0.8
226.02542	1.0
228.04152	1.6
229.01317	2.8
241.01385	7.6
242.01884	1.1
244.03728	0.7
254.02060	0.8
255.02971	1.7
256.03702	1.9
257.00870	16.0
258.01266	1.7
269.00903	6.4
270.01559	1.0
271.02481	2.5
272.03241	2.8
283.02451	1.4
284.03308	3.6
285.00394	31.8
286.00711	2.8
299.01886	2.3
299.05289	1.1
300.02725	18.2
301.03143	1.2
312.66293	0.7
312.99899	27.5
314.00208	2.0
315.05060	7.2
316.05283	0.9
327.01328	1.9
328.02234	41.1
329.02585	3.3
343.04565	92.2
344.04941	10.7
358.06921	100.0
359.07291	11.3
373.09262	53.6
373.14255	0.6
373.19409	1.5
374.09622	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	371.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24510	0.2
55.01758	6.6
57.03323	14.1
58.00468	2.3
58.03680	0.2
59.01250	44.8
60.01586	0.4
67.01740	0.3
68.73715	0.2
68.99683	0.6
69.03327	1.3
69.44772	0.6
69.45200	1.1
71.01253	100.0
72.01592	1.2
72.99184	3.6
73.02818	25.9
75.00743	1.5
75.91807	0.2
81.03370	0.3
83.01257	11.5
83.04891	0.9
84.02051	0.9
84.92001	0.2
85.02823	41.5
85.06409	0.2
85.99953	0.3
86.03158	0.8
87.00748	4.1
89.02317	23.9
90.02654	0.4
95.01260	7.1
97.02836	2.3
97.06499	0.6
99.00760	11.2
99.78027	0.2
100.01077	0.2
101.02322	57.5
102.02663	1.3
107.61459	0.2
111.00752	0.5
113.02330	38.8
114.02662	1.1
116.14907	0.2
119.03393	9.7
119.04258	0.5
120.99516	0.9
123.08057	3.0
124.08350	0.2
125.02337	2.0
129.01848	1.3
131.03413	0.9
135.04428	0.4
136.98976	0.3
137.09605	2.0
138.09978	0.2
139.11154	0.9
140.99980	0.2
142.38333	0.2
143.03407	3.4
149.04453	0.7
149.09605	1.4
159.01653	0.5
159.02907	6.4
161.04463	28.9
162.04788	0.9
165.12752	0.9
168.06502	0.2
179.05562	1.1
191.62645	0.3
193.12338	0.3
205.03493	1.0
207.06583	0.3
209.15419	17.8
210.15807	1.1
243.18774	0.2
262.19601	0.3
330.78223	0.2
371.07520	0.2
371.16183	0.4
371.20685	1.8
371.24420	0.4
381.16544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01580	1.1
69.03315	0.8
69.84052	0.8
69.84457	1.5
71.01265	0.8
72.98022	0.4
73.02836	0.5
74.98940	0.4
99.00800	0.4
101.02303	0.4
107.04910	12.5
107.97100	0.4
120.99564	1.1
121.02821	0.4
125.02377	0.5
135.04385	0.5
135.64876	0.4
137.02357	0.5
155.19250	0.4
175.07135	0.4
176.01051	0.4
191.03436	0.7
197.50351	0.4
201.37634	0.4
225.65671	0.4
227.03494	1.1
247.18221	0.4
255.03021	0.7
256.03726	0.4
257.04529	0.4
285.00418	0.5
299.09219	0.5
299.99066	0.5
301.03650	0.6
312.95984	0.4
327.09039	0.7
371.07626	6.9
371.16061	0.4
371.24408	1.4
372.03854	0.7
372.08347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.6
60.12676	0.7
62.02794	0.8
62.51478	0.7
64.89719	0.6
69.03322	0.7
70.79369	1.9
73.26628	0.9
79.26524	0.6
94.32668	0.8
97.13058	0.6
125.87788	0.7
130.16125	0.6
136.83804	0.7
194.99335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.7
69.16725	7.0
69.17127	1.0
69.59052	0.7
71.01247	2.0
71.04889	21.2
72.99171	0.8
73.02805	0.9
85.02837	1.0
87.04377	0.9
93.03348	1.9
97.06422	0.8
107.04891	1.7
109.02843	1.0
112.31837	0.8
121.02846	14.9
134.03627	28.7
135.04396	1.0
147.00778	2.4
147.02901	1.2
147.08037	0.9
149.02345	3.3
149.09619	4.6
150.03078	1.8
164.04721	0.9
165.01851	2.4
165.05493	2.5
165.09050	1.2
168.03336	0.8
177.09111	7.7
190.99730	1.4
215.22290	0.7
221.08138	100.0
222.08501	7.6
251.16718	1.0
296.06329	1.4
325.07068	2.4
325.23587	1.0
369.05948	1.8
369.22876	3.0
370.22107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
59.01247	1.9
65.03835	0.6
67.48775	0.4
69.39809	1.7
69.40231	1.5
71.01256	1.2
72.99172	0.5
81.03322	2.2
85.02830	0.5
89.02311	1.0
91.01781	3.2
93.03339	1.7
96.95917	0.5
98.20526	0.6
99.00770	0.9
108.02048	13.8
109.02837	29.6
110.03157	1.1
113.02314	0.5
119.03407	0.4
119.04913	1.7
121.02776	0.7
121.06476	1.6
123.00771	1.1
124.01571	0.5
135.02922	0.5
136.01573	0.9
137.02319	0.7
137.05975	1.4
147.04419	5.1
148.01537	0.7
149.02351	1.2
150.03064	0.9
155.03387	0.5
163.03903	2.0
164.04671	1.8
165.05478	91.9
166.05846	3.7
173.04454	5.3
176.01059	6.6
189.05473	1.0
190.99747	0.7
191.03423	16.9
192.03833	0.9
197.04480	0.9
208.03720	0.6
209.04488	100.0
210.04836	5.6
223.05992	1.3
225.18524	0.4
251.05551	0.6
311.07602	0.7
371.09802	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49606	0.4
59.01233	2.0
71.01256	1.2
71.04891	21.5
73.06455	0.5
75.02260	0.5
77.03850	0.8
83.04896	0.6
93.03336	0.9
99.00720	0.5
107.04901	1.5
109.02840	0.8
121.02843	16.7
122.03175	0.5
132.19572	0.4
134.03627	27.8
135.04344	1.1
147.00801	3.5
147.07994	0.8
149.02380	1.3
149.09621	3.1
150.03052	0.8
151.03880	0.5
160.75684	0.5
162.44357	0.5
165.01857	1.4
165.05513	0.6
165.09152	0.8
175.07576	0.6
177.09099	7.6
190.99799	1.4
193.08600	1.0
221.08136	100.0
222.08479	7.1
251.16571	0.6
261.00476	0.7
269.08328	0.5
297.07285	0.5
325.07040	1.4
326.07513	0.6
369.05969	1.4
369.22748	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	369.0977
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
59.01242	1.2
60.68645	0.3
69.03319	0.4
71.01255	0.6
71.51680	0.4
73.02814	0.4
80.25367	0.3
81.03329	0.6
85.02789	0.4
91.01749	0.6
95.01241	0.4
101.02332	0.4
108.02036	2.3
109.02834	100.0
110.03149	2.5
115.21344	0.5
118.68414	0.3
120.99514	0.4
121.02827	0.6
124.53835	0.4
135.04395	0.5
139.05421	0.6
143.04958	0.4
145.02907	0.5
155.04903	0.4
155.56726	0.4
160.01563	0.5
161.02348	2.1
162.02638	0.4
163.03960	0.8
165.00247	0.3
171.04395	2.1
173.02332	1.0
174.03114	1.0
175.03986	0.7
182.03592	0.4
183.04436	23.3
184.04741	1.5
187.03912	3.0
188.04234	0.4
189.01866	1.1
199.03928	7.0
200.04709	31.5
201.05144	2.9
209.02444	2.1
227.03445	23.8
228.03770	2.1
229.05022	0.5
238.30331	0.4
244.03712	1.8
249.05528	0.7
250.06021	0.4
258.05353	1.1
259.06085	91.0
260.06400	7.7
267.06583	0.5
277.04980	1.8
278.05472	1.2
293.04559	0.6
293.52374	0.4
294.05518	0.5
295.06082	6.1
296.06424	6.0
297.06796	0.5
326.07590	0.4
337.07141	0.5
369.09680	14.8
369.14374	0.8
369.22632	0.8
370.09927	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	369.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
60.68645	0.3
69.03319	0.4
71.01255	0.6
71.51680	0.4
73.02814	0.4
80.25367	0.3
81.03329	0.6
85.02789	0.4
91.01749	0.6
95.01241	0.4
101.02332	0.4
108.02036	2.3
109.02834	100.0
110.03149	2.5
115.21344	0.5
118.68414	0.3
120.99514	0.4
121.02827	0.6
124.53835	0.4
135.04395	0.5
139.05421	0.6
143.04958	0.4
145.02907	0.5
155.04903	0.4
155.56726	0.4
160.01563	0.5
161.02348	2.1
162.02638	0.4
163.03960	0.8
165.00247	0.3
171.04395	2.1
173.02332	1.0
174.03114	1.0
175.03986	0.7
182.03592	0.4
183.04436	23.3
184.04741	1.5
187.03912	3.0
188.04234	0.4
189.01866	1.1
199.03928	7.0
200.04709	31.5
201.05144	2.9
209.02444	2.1
227.03445	23.8
228.03770	2.1
229.05022	0.5
238.30331	0.4
244.03712	1.8
249.05528	0.7
250.06021	0.4
258.05353	1.1
259.06085	91.0
260.06400	7.7
267.06583	0.5
277.04980	1.8
278.05472	1.2
293.04559	0.6
293.52374	0.4
294.05518	0.5
295.06082	6.1
296.06424	6.0
297.06796	0.5
326.07590	0.4
337.07141	0.5
369.09680	14.8
369.14374	0.8
369.22632	0.8
370.09927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
56.18142	1.1
59.01242	2.2
63.94490	1.2
71.04036	2.2
71.04404	1.5
84.46852	1.4
94.40599	1.2
133.06512	8.6
149.09621	97.7
150.09941	5.3
171.05365	1.2
205.15919	51.4
206.16295	4.8
295.17099	3.2
328.16791	2.4
367.26404	100.0
368.26694	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	369.0825
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.08020	1.8
59.01241	6.4
60.37098	2.0
63.01460	1.7
69.25819	7.2
69.26249	9.7
71.01243	6.6
75.00771	1.9
85.02805	3.1
89.02361	2.3
93.03340	2.6
95.01272	2.2
96.83805	1.7
109.02810	4.1
117.03342	18.1
119.04878	3.9
125.02335	3.1
135.04387	3.3
136.94067	1.5
137.02344	2.3
144.84245	1.8
145.02846	36.5
151.03911	2.6
160.01563	2.9
161.02344	41.2
162.02811	2.5
163.03928	15.0
169.31836	1.7
173.02351	19.5
174.03133	68.5
175.03879	11.7
177.01830	3.0
178.02487	2.1
179.03473	3.6
181.34827	1.8
188.00995	2.7
189.01851	100.0
190.02290	5.7
203.03429	2.8
205.01283	3.5
206.02104	18.2
207.01195	2.2
207.02919	33.6
207.06628	2.0
208.03313	2.2
219.02762	2.1
231.50716	2.2
332.85565	1.8
336.08408	7.4
341.06830	2.9
351.07092	2.5
369.08063	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63293	8.3
57.03323	13.3
59.01245	52.1
69.25417	86.7
71.01254	26.5
72.99162	12.2
73.02783	8.9
76.38232	7.8
78.16273	7.8
83.01270	11.6
84.16296	9.4
93.03317	10.0
96.95895	10.8
98.20599	18.3
101.02313	12.1
102.98479	12.5
109.02834	14.5
113.02329	13.2
121.02846	9.5
125.02350	48.8
135.04411	18.8
137.02328	57.0
149.02338	22.0
161.02304	14.4
163.00323	12.1
164.01009	49.4
164.04718	11.3
165.01811	49.7
175.00255	22.9
177.01862	31.7
179.03395	17.7
179.06898	10.6
179.51836	8.4
187.03995	8.8
187.07513	11.4
189.01750	12.0
190.02609	65.2
193.05084	7.4
203.10719	12.2
205.01437	10.0
205.04951	46.0
220.03612	10.3
223.05951	20.2
229.08614	46.1
237.09535	16.0
240.04280	11.4
263.33633	9.1
281.11801	12.9
285.04031	73.9
286.04468	10.7
287.04501	30.2
292.02405	10.4
323.12781	20.8
367.11703	100.0
367.21387	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	367.1031
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.81988	0.2
57.03320	1.4
59.01242	2.7
60.99174	0.5
67.01756	5.3
68.02087	0.3
69.03315	1.1
71.01248	4.4
71.05959	0.5
72.99177	0.4
81.03318	0.9
81.27406	0.3
83.01256	0.4
83.04879	1.2
85.02808	1.6
87.00744	0.8
89.03853	0.3
93.03329	35.2
94.03663	0.8
95.01249	0.4
99.00739	0.3
99.04384	0.3
101.02362	0.3
109.02827	1.2
111.00748	2.2
111.04391	5.7
113.02312	0.6
117.03347	2.5
119.04877	1.0
124.76322	0.3
127.03837	0.4
134.03622	23.5
135.03967	1.0
137.02344	5.6
149.02335	0.3
149.05992	2.1
155.03397	5.1
159.04440	0.3
163.03894	0.5
173.04462	100.0
174.04797	3.1
191.05554	3.4
193.04985	17.8
194.05299	0.7
205.01497	0.4
205.04941	0.3
223.06042	0.8
367.06219	0.5
367.10226	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
57.03333	0.4
59.01244	2.2
59.51734	0.3
70.99244	0.6
71.01241	1.7
73.02816	0.7
78.42854	0.3
83.04913	0.6
85.02824	1.4
87.00780	0.4
88.80223	0.3
89.02348	0.5
89.03852	2.2
93.03327	2.7
101.02340	1.0
111.00704	0.3
111.04406	3.1
113.02336	0.6
117.03351	8.4
119.04885	0.5
127.03905	0.6
129.01840	0.3
134.03630	87.0
135.03954	3.7
137.02335	0.8
149.02321	0.3
149.05992	6.8
155.03415	2.8
163.03938	0.4
173.04457	5.0
178.02547	0.5
191.05542	4.4
193.04988	100.0
194.05315	4.8
219.12489	0.4
235.11819	1.7
367.10199	5.2
367.15778	0.6
368.10846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75708	0.4
57.03310	1.8
59.01238	2.4
59.34927	0.4
62.81844	0.4
69.03326	0.4
70.83553	0.9
71.01261	2.1
72.99188	1.7
73.02803	0.4
83.01250	0.6
83.04910	1.1
83.12549	0.4
84.05275	0.4
85.02818	11.4
87.00726	0.5
93.03333	3.2
99.00723	0.7
101.02322	0.6
101.05949	2.4
101.06524	0.4
106.04094	0.5
106.26801	0.4
111.00769	2.2
111.04414	2.8
115.07517	0.5
117.03310	0.5
119.04921	4.5
121.02823	0.7
125.02338	0.9
125.63325	0.4
127.50340	0.4
128.05054	0.5
129.01819	1.2
133.02869	0.7
134.03629	94.2
135.03957	3.9
137.02359	4.0
139.03905	1.5
147.02881	5.1
149.02342	0.9
149.05989	8.4
150.06389	0.5
155.03407	3.7
160.01576	1.8
163.03923	2.5
163.49545	0.4
173.00844	0.5
173.04453	7.0
175.03947	2.8
178.02605	5.4
189.01855	0.5
191.05580	1.0
193.04988	100.0
194.05299	5.0
243.89671	0.5
323.07693	1.0
367.01239	0.6
367.06161	0.8
367.10330	4.8
367.14459	0.6
368.10214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01214	0.6
71.01234	0.2
72.87658	0.2
75.68884	0.1
80.78356	0.2
83.01247	0.2
92.07865	0.2
96.95816	0.1
109.02818	2.4
118.64573	0.2
132.02022	0.3
133.02809	0.6
145.02769	0.2
146.03629	0.3
159.04420	0.2
160.01564	0.2
161.02351	2.6
161.09975	0.1
173.02295	0.7
174.03061	0.5
175.03839	0.8
183.04469	0.3
187.03915	2.2
191.03360	0.4
193.05017	0.2
195.04475	0.4
198.03101	0.3
199.03894	0.7
209.06046	0.4
211.03845	0.5
213.05504	0.3
214.02759	0.2
219.04437	1.8
220.05162	0.8
221.06001	0.7
222.06789	0.8
223.03906	1.2
224.04730	1.3
225.01852	0.2
225.05299	0.3
226.02669	2.1
227.03224	0.4
233.05962	0.5
237.05521	2.8
238.06126	0.8
241.05023	0.5
243.93031	0.2
244.53009	0.2
245.04356	0.4
247.03947	1.1
248.04752	4.0
249.05482	4.7
250.06018	0.5
251.03467	3.1
252.03729	0.2
256.03738	1.2
257.04453	0.9
258.04965	0.2
261.05652	0.9
263.07080	0.3
264.04156	0.8
265.05066	3.9
266.05737	2.1
273.05667	0.2
274.06424	0.4
275.03494	3.5
276.04257	16.5
277.04971	7.8
278.05475	0.8
279.06598	0.2
280.03601	0.2
289.04941	0.8
290.05829	1.3
291.03384	0.2
291.06598	4.0
292.03763	1.4
292.06888	0.3
293.04550	31.4
294.05316	100.0
295.05685	9.7
306.05338	0.3
307.06171	0.6
308.06860	0.6
317.04523	1.7
318.05194	0.3
320.03220	0.5
335.05603	8.2
336.05856	0.9
349.07156	2.0
350.27444	0.2
367.08197	10.1
368.08713	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	367.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73604	0.8
59.01250	13.8
67.01759	3.4
71.01246	4.9
71.50626	1.2
72.99179	3.8
83.01254	4.0
84.91885	0.7
85.02823	23.0
87.00768	0.7
89.02323	1.7
93.03345	4.8
95.01222	1.1
96.95918	0.8
99.00755	1.7
101.02316	3.2
109.02856	0.9
109.96223	0.7
111.00764	100.0
112.01099	2.4
113.02335	1.5
119.04932	0.7
121.02829	0.9
123.04359	0.8
129.01819	4.8
134.03651	4.7
135.04419	2.2
149.02332	3.2
154.99767	15.2
161.02345	0.9
161.04451	0.9
163.03873	0.9
164.04681	3.2
173.00833	27.8
173.04456	10.7
174.01259	1.4
174.04729	1.0
179.03362	1.1
179.07085	0.7
190.02675	3.0
191.05443	1.2
193.01308	1.2
193.05013	2.9
205.05046	2.6
208.03709	2.3
223.06075	6.0
224.06331	0.9
295.08246	3.3
307.17783	1.1
367.10370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21840	0.2
51.64929	0.2
55.01746	0.3
59.01007	0.2
59.01258	2.2
59.90746	0.2
70.87791	0.6
71.01257	1.7
72.99178	9.5
73.02814	1.0
75.00746	0.3
83.01252	0.6
85.02843	1.3
85.37777	0.2
87.00784	0.2
89.02346	0.4
99.00742	0.4
101.02322	2.5
105.23454	0.2
107.47218	0.3
111.00759	0.3
113.02335	0.8
116.04948	6.2
116.80717	0.2
117.05309	0.3
119.04871	0.3
128.04955	5.5
129.05272	0.3
130.06514	6.3
131.03535	0.3
132.04459	0.8
134.03607	1.9
142.06526	12.9
143.06850	0.8
144.04446	0.9
146.06084	0.4
156.04456	0.3
156.08183	0.3
157.05220	1.2
158.06017	36.8
159.06361	2.3
160.07520	0.3
161.04498	0.5
166.06470	0.3
170.06029	0.8
172.03941	1.3
172.07513	0.4
173.04483	0.4
174.05507	0.4
186.05522	16.1
187.05843	1.0
193.04973	3.0
198.05553	0.3
200.07098	2.1
204.06598	31.8
205.06937	2.6
217.86966	0.2
224.18967	0.2
228.06657	0.7
235.11827	0.9
236.89536	0.3
246.07698	0.9
348.10840	0.4
350.82434	0.3
366.11914	100.0
367.12256	11.0
367.16016	0.5
383.52170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01248	4.0
62.77387	0.2
67.01751	0.9
70.32995	0.2
71.01225	1.0
72.99168	0.2
85.02827	0.9
87.00775	0.4
89.02286	0.3
89.03844	0.2
93.03330	6.5
98.19833	0.4
99.00713	0.2
101.02344	0.4
108.20083	0.2
109.02868	0.4
111.00764	0.8
111.04433	1.0
113.02330	0.3
117.03364	0.5
119.04884	0.4
121.02853	0.5
125.02341	0.4
127.03945	0.2
134.03632	4.9
137.02348	0.8
139.03836	0.2
144.04454	100.0
145.04784	4.7
145.07649	0.2
147.04411	0.3
149.02347	0.5
149.05995	0.4
155.03442	0.9
158.05975	0.4
160.73427	0.2
161.04407	0.2
163.00211	0.2
163.03932	0.4
173.04465	18.8
175.00320	0.9
175.03967	0.2
176.01065	3.2
177.01932	0.9
180.24709	0.2
191.05540	2.3
193.01320	0.3
193.05009	3.2
202.99840	0.5
204.00568	5.3
205.01360	5.8
205.03232	0.4
214.05038	0.3
219.02885	0.5
223.06012	0.3
228.06673	0.2
306.09799	3.9
307.10202	0.4
367.01450	0.4
367.06604	4.7
367.10123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1352
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
59.01245	3.9
63.43344	0.7
70.06208	0.9
70.25513	1.8
70.25906	1.6
71.01260	1.6
72.00773	7.1
72.87675	0.7
73.02810	0.8
73.91594	0.7
74.02332	6.1
91.98544	0.8
96.70507	0.8
101.02317	3.3
116.04943	22.6
130.06412	1.0
142.06505	7.0
159.09181	8.4
160.03949	4.9
165.76689	0.8
185.07014	1.0
186.05481	1.3
203.08192	60.1
204.08511	4.1
222.39226	0.9
237.39471	0.7
261.05872	0.9
295.93579	0.8
357.85693	0.9
365.13489	100.0
366.08240	2.1
366.13754	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79358	0.8
55.01743	1.4
57.03310	1.6
58.00454	3.4
59.01247	100.0
67.42918	1.0
69.03329	5.3
71.01250	49.1
71.20992	2.2
72.99173	5.6
73.02814	2.4
83.01237	3.7
85.02813	11.8
87.00755	2.8
89.02316	48.9
95.01253	2.9
97.02839	4.6
99.00742	2.7
101.02318	31.4
113.02337	16.7
116.61250	0.9
119.02588	1.8
119.03389	25.0
131.03352	1.1
135.04393	3.0
143.03419	3.0
149.02261	0.8
157.08553	1.0
161.04555	4.6
175.03831	1.0
179.03467	1.9
179.05487	3.4
185.00764	1.9
185.11758	4.5
191.99437	0.9
196.03581	0.9
203.01877	7.3
203.12802	3.0
217.10796	1.6
233.95667	1.1
305.16000	2.4
365.18109	85.2
366.18558	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	366.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04440	3.4
53.63392	3.1
54.53728	3.6
59.01247	18.6
61.98700	100.0
69.54623	3.7
71.01234	8.7
71.51575	5.2
75.00726	5.5
91.55867	3.9
97.02847	6.0
174.03114	15.1
197.11754	4.8
235.06038	4.2
253.66190	4.1
271.09677	17.4
293.04678	5.7
294.05374	16.4
307.19037	5.4
325.19998	5.6
348.14398	5.4
367.04535	6.6
367.21335	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	365.0874
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
69.18297	0.9
69.67538	5.2
77.12260	0.8
81.99133	0.7
158.03642	13.8
159.04436	5.9
166.65332	0.8
171.04419	2.3
201.05508	2.0
202.02646	100.0
203.03061	7.5
213.05489	2.5
220.55669	0.9
231.06506	1.4
275.05554	1.6
365.08728	32.0
366.09131	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66978	2.0
57.03315	2.2
59.01253	13.5
62.10299	1.9
67.39323	1.7
69.40277	13.6
71.01258	12.5
71.04884	2.7
72.99185	2.5
73.02806	2.5
85.02834	5.2
87.00744	1.9
87.04390	100.0
89.02307	5.6
90.97422	1.8
95.04893	2.4
101.02303	6.7
106.00316	2.3
111.00764	2.4
113.02314	5.7
123.00716	1.9
137.05875	2.1
139.07535	3.2
139.11182	13.7
147.02936	2.8
157.12242	2.3
168.00128	2.0
183.10217	3.9
201.11253	82.9
202.11565	6.7
215.09177	3.6
215.12881	2.1
215.29405	1.8
216.87320	1.8
220.61874	2.0
225.11308	6.6
227.11037	2.7
243.12381	2.2
244.65395	2.0
316.02121	2.2
363.16605	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	364.997
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
51.08920	0.2
59.01237	0.4
59.82768	0.2
63.02261	0.5
69.57410	1.3
79.01778	0.2
79.95599	0.3
83.01263	0.4
91.01762	0.6
93.03328	2.1
97.22222	0.2
107.01290	1.7
109.02825	1.1
117.03360	0.6
118.01752	0.2
119.01242	0.3
121.02839	0.2
123.03128	0.2
130.04208	0.3
131.04932	0.5
135.00775	1.3
137.02380	0.3
141.06953	0.3
143.04938	1.6
145.06505	0.2
151.00290	0.3
153.01811	0.5
154.04242	0.3
155.04915	0.4
156.05679	0.5
157.06493	1.1
159.04451	2.1
160.04736	0.2
163.00282	2.4
165.01849	0.6
167.05003	1.0
168.05394	0.2
169.06529	1.1
171.04445	1.1
173.02345	0.5
173.05952	0.4
183.04416	0.6
183.67841	0.2
185.06006	3.5
186.06372	0.2
187.03925	4.9
188.04231	0.4
189.05490	1.1
195.04437	0.8
196.05240	0.4
197.06018	1.4
198.03084	0.3
199.03954	1.4
201.03815	0.2
201.05426	1.1
211.03964	2.6
212.04480	0.4
213.05498	2.7
214.02618	0.5
215.03407	0.5
223.03993	0.4
227.03481	2.7
228.03911	0.3
229.05008	15.7
230.05244	1.3
239.03459	2.4
240.04204	0.8
241.04976	2.1
243.03009	0.6
255.03035	0.6
256.03729	1.2
257.04541	6.8
258.04919	0.6
267.02878	1.1
268.03683	0.3
283.02527	0.2
285.04025	100.0
286.04376	9.4
286.06866	0.1
364.99661	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.8
55.36732	2.3
57.03316	8.0
58.00464	2.8
59.01252	67.5
67.22106	1.8
69.03304	2.9
70.78484	4.0
70.78839	3.3
71.01254	100.0
72.01617	2.2
72.99181	5.5
73.02821	25.3
74.98982	2.8
75.00754	2.2
81.03305	1.7
83.01259	14.8
85.02824	46.9
87.00759	6.3
87.04420	3.1
89.02316	31.8
95.01263	6.7
97.02871	2.5
99.00754	10.9
101.02322	78.3
102.98492	2.8
113.02329	43.5
117.19030	1.8
119.03393	16.3
119.60918	1.9
125.02374	4.1
139.00319	1.8
143.03432	4.7
157.12248	1.9
159.02922	8.1
161.04457	44.1
179.05577	3.1
201.11258	7.5
269.58060	2.1
287.10480	2.3
319.04739	2.0
319.17630	21.3
363.03650	5.3
363.16632	99.3
364.16870	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	363.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07795	0.9
50.46573	0.8
57.03308	1.9
57.70996	0.8
59.01230	3.0
60.34677	0.7
60.97383	2.1
63.96099	7.2
69.18174	7.3
69.18588	2.1
71.01235	1.2
72.99174	7.4
73.98183	7.2
74.98960	8.5
76.96885	6.6
79.95609	6.5
80.96397	1.4
87.00740	25.6
89.00527	2.1
98.03615	2.6
109.06554	0.9
111.08016	1.8
117.97173	1.4
120.99518	2.4
123.08033	2.3
125.05953	3.3
132.98534	1.1
132.99541	20.2
135.04401	1.1
135.98232	3.3
136.99030	1.1
139.07550	22.8
140.07892	1.4
141.09102	22.1
142.09435	1.1
149.05960	2.3
151.00600	55.2
152.00912	1.3
161.09705	1.2
163.11198	1.8
165.09167	1.3
179.10632	1.2
183.02921	0.9
187.11261	1.7
189.09120	1.2
190.09903	1.2
193.12416	1.0
195.08319	0.9
202.05142	0.9
205.12260	14.6
206.12611	1.0
211.13406	1.3
221.09950	1.1
239.11110	4.2
245.07968	0.9
257.12122	12.7
258.12527	1.3
275.13101	2.1
345.13425	1.0
363.14780	100.0
364.15234	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.0
65.99717	2.1
71.01263	4.2
71.28490	1.0
72.99179	1.0
73.02779	1.1
74.98982	1.1
79.95578	0.8
82.02854	37.5
83.01242	4.6
83.03220	1.1
85.02828	2.4
87.00751	1.5
89.02323	2.9
92.04930	1.2
93.03300	1.4
94.02863	3.1
96.95901	1.5
98.20560	2.2
99.00753	1.0
101.02314	3.1
108.04401	1.1
113.02342	1.4
120.00840	1.1
120.04414	2.1
120.99541	2.2
121.01558	1.1
122.02364	1.5
122.06005	4.0
125.02341	1.5
135.04430	1.1
136.03935	33.2
136.07562	1.0
137.04254	1.5
139.03870	1.0
141.93297	0.8
146.04694	1.1
146.92110	0.8
150.05524	1.3
152.03441	2.1
158.03629	1.8
160.07578	1.1
161.07074	0.9
164.03439	42.0
165.03825	1.2
169.01323	1.5
173.02245	1.5
174.03143	2.7
176.07069	1.9
180.02892	2.1
182.04474	2.9
183.10117	2.4
185.02351	1.9
185.11577	1.0
186.03053	1.2
194.04515	27.1
195.05318	6.4
196.06067	27.1
197.06450	1.0
202.02666	4.7
202.08659	2.3
204.06610	1.6
205.09483	0.9
213.01857	3.5
214.02545	1.3
215.05913	1.2
215.07880	1.0
217.04802	4.6
228.04289	1.7
228.06508	1.1
229.01353	3.5
230.02104	3.5
231.02876	1.4
231.07657	3.6
243.04265	1.2
243.06479	1.6
243.11147	1.1
243.99985	1.6
244.03772	1.3
244.09770	7.9
245.04568	4.2
245.09264	2.6
258.06445	1.2
259.06903	2.2
259.10910	2.5
260.06821	2.0
270.07715	5.8
271.07269	3.4
272.07913	1.2
275.09232	1.8
287.10364	100.0
288.10635	9.1
289.03452	1.3
291.09811	2.4
303.05054	2.2
304.05814	3.3
313.08337	2.3
319.08246	3.3
319.12936	2.6
321.15445	1.0
331.09332	41.8
332.09573	3.5
363.03311	1.0
363.11865	6.0
363.16440	7.7
363.23853	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	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.4
59.01249	7.0
65.99709	2.0
68.21681	0.6
68.99680	0.6
69.36366	3.9
71.01241	3.9
72.99174	0.7
73.02796	1.2
78.03385	0.7
80.82973	0.6
82.02852	35.8
83.01248	4.4
83.03181	0.8
85.02818	1.3
87.00735	0.7
89.02303	2.2
92.04941	1.2
93.03363	0.5
94.02859	3.1
95.01217	0.6
96.95889	0.5
99.00786	1.1
101.02338	1.5
103.00783	0.6
106.02898	0.7
107.03655	0.6
108.04469	1.0
113.02303	1.0
118.02879	0.7
119.03365	0.7
120.00759	0.8
120.04403	1.1
120.99559	1.1
121.01543	0.8
121.02859	0.8
122.02334	2.7
122.06001	4.9
125.02389	0.7
134.02376	0.7
136.03937	27.8
136.07501	0.9
137.04271	0.6
139.03876	1.1
146.06131	0.7
150.05481	1.9
152.03413	1.9
154.85173	0.7
157.02859	1.0
158.03603	0.9
160.07564	1.6
161.04480	0.8
161.07173	1.2
162.01833	0.7
163.02724	0.6
164.03441	41.0
165.03799	2.0
173.02351	1.7
174.03133	1.3
176.07109	1.3
177.10324	1.0
178.08583	1.4
180.02943	2.0
182.04521	3.7
183.10132	2.0
185.02290	1.0
186.05667	0.7
186.07870	0.6
188.07164	1.1
190.02734	0.7
194.04509	26.6
195.05278	6.1
196.06075	24.3
197.06450	1.1
200.07076	1.0
201.01900	0.9
202.02649	3.2
202.08681	2.9
204.06659	1.7
213.01877	1.6
216.10355	0.8
217.05045	2.1
217.09737	0.8
226.08928	0.7
228.04228	1.2
228.06619	0.9
229.01393	2.1
229.06079	1.6
230.02127	2.4
230.06741	0.7
231.07750	3.1
242.08156	1.2
243.04286	1.1
243.06801	0.7
243.11377	0.9
244.00099	1.5
244.09789	5.4
245.04517	2.5
245.09337	3.1
246.01640	0.7
246.05305	0.6
257.00903	1.0
258.06528	3.4
259.06912	2.1
259.10876	2.3
260.06772	0.7
269.09250	1.6
270.07770	5.4
271.07379	3.5
272.07959	1.1
275.05441	0.7
287.10364	100.0
288.10742	8.5
291.09943	0.9
304.05954	2.9
305.06509	0.8
313.08289	2.7
319.08209	2.7
319.12787	1.9
331.09323	43.1
332.09579	3.7
363.03564	0.9
363.11832	6.6
363.16467	6.6
363.23874	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	363.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59885	1.9
52.30550	1.4
54.36660	1.4
58.54700	1.5
59.01241	8.4
61.49308	1.7
65.00202	2.1
69.22719	16.4
71.01248	5.8
71.31936	1.6
85.02844	1.8
89.02321	4.1
95.50969	1.5
96.95850	3.0
98.19844	3.3
99.51481	1.6
101.02324	3.8
106.90060	1.7
113.02315	1.9
117.03338	2.1
119.03367	2.0
122.13838	1.5
129.03345	3.5
131.04796	1.7
135.00757	1.8
145.02835	7.0
147.04445	1.8
157.02853	11.5
159.00754	3.4
159.04312	2.3
160.01523	1.7
161.02304	4.9
163.04016	1.8
171.00912	2.5
173.02327	6.9
174.03127	7.0
185.00714	2.0
185.02361	32.9
186.02939	2.4
187.00299	2.0
187.03944	2.9
189.01851	8.2
190.02563	6.9
197.27876	1.8
201.01884	6.7
201.05466	2.7
201.11151	2.9
202.02625	6.6
203.03494	4.5
205.04964	2.5
213.01848	11.2
214.02490	3.3
214.99765	6.2
215.03392	3.1
216.00499	4.4
216.04175	2.5
217.01445	2.7
217.05011	5.7
218.02130	9.9
219.02867	2.2
229.01393	13.2
229.04974	3.7
230.02156	49.1
231.02859	11.3
233.04495	21.1
233.12166	3.6
234.01627	4.6
244.00050	2.9
244.03783	2.4
245.04514	47.1
246.01607	2.4
246.04929	3.3
247.02400	5.6
259.02432	2.1
259.06052	2.4
260.03064	1.9
260.07050	2.1
261.04047	6.0
262.01218	3.2
272.03305	8.9
273.03854	2.8
274.01071	5.1
277.03418	13.6
278.00662	4.7
287.05435	1.8
289.03485	21.5
290.03754	2.7
293.02957	4.9
293.10287	36.0
304.05759	4.2
305.06427	8.5
307.04514	4.9
308.05295	2.0
319.04422	2.9
319.08218	69.4
320.08484	6.4
321.02502	13.1
337.09277	100.0
338.09647	6.0
363.03265	2.9
363.07184	7.3
363.23727	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	363.0179
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
57.92842	0.6
59.01232	1.6
71.01266	1.1
71.30904	1.0
79.95615	4.0
89.02305	0.6
109.05782	0.5
120.00172	0.5
124.66097	0.5
145.07613	0.5
149.87807	0.6
156.05701	6.6
164.18564	0.5
167.04996	1.3
184.05174	5.9
184.44867	0.6
195.04434	8.1
201.11179	0.8
210.03131	2.7
211.03940	39.3
212.04565	7.4
214.09604	0.6
223.03894	1.0
224.04759	0.7
225.05545	6.4
227.07101	12.1
228.07378	0.9
239.03461	4.6
240.04239	33.9
241.04610	2.0
255.06601	7.1
256.07050	0.6
257.15457	0.5
264.30341	0.6
268.03754	15.2
269.04071	1.0
278.74380	0.6
283.06094	100.0
284.06442	9.7
324.02722	3.2
362.18857	0.9
363.01697	10.9
363.19214	0.8
364.01468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
55.01760	7.0
57.03315	8.0
58.00472	2.3
59.01251	89.7
69.45029	10.8
70.77684	1.5
71.01252	100.0
72.99184	7.1
73.02818	17.6
75.00762	4.8
77.19200	1.5
83.01254	9.6
84.21165	1.5
85.02823	36.3
87.00756	6.4
89.02315	46.1
89.02840	2.7
95.01271	8.1
95.04919	3.9
98.20567	2.0
99.00747	9.0
99.04465	1.6
101.02322	53.3
111.04375	3.5
113.02325	35.9
119.03391	16.7
129.01814	3.0
131.03378	2.1
132.78537	1.8
137.09612	5.3
143.03410	3.1
149.04549	2.1
155.10675	13.1
159.02907	5.5
161.04482	21.9
165.09138	1.6
179.05504	4.8
181.08607	7.2
183.10233	4.1
189.12860	1.6
213.01862	1.9
227.12898	3.2
253.08708	2.3
315.08731	3.4
317.16046	16.1
361.09482	13.4
361.15015	49.9
362.09726	2.7
362.15378	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	363.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.1
69.95704	2.2
71.01247	1.0
79.95603	3.2
101.02336	0.6
108.08263	0.5
139.11232	1.6
156.05710	4.5
167.04941	0.8
174.18164	0.5
183.10110	1.0
184.05215	6.3
185.05609	0.5
195.04462	7.3
201.11266	3.7
210.03108	1.8
211.03951	34.1
212.04579	6.4
223.03969	0.7
225.05530	6.8
225.11264	0.7
226.05724	0.5
227.07069	11.0
228.07524	1.2
239.03490	4.0
240.04254	28.1
241.04691	2.4
243.12341	0.8
255.06595	8.1
256.07025	0.6
268.03748	11.2
269.04099	0.7
283.06110	100.0
284.06433	10.2
326.95718	0.5
344.32687	0.6
345.48856	0.5
363.01761	12.8
364.02090	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	361.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03334	5.1
57.03562	1.1
58.58871	0.8
59.01257	5.5
68.99677	4.0
69.03324	1.4
70.63472	2.0
70.63838	1.7
71.01254	5.1
71.04900	1.5
72.99178	6.1
75.00723	2.0
79.05403	1.9
79.95613	7.3
80.96385	2.2
83.04891	11.9
85.02840	1.8
87.04390	1.3
89.02306	1.2
93.03337	3.8
95.04894	15.1
96.95884	11.9
96.99170	2.1
97.02836	1.4
97.06506	1.4
99.04402	1.3
101.02305	1.4
107.04927	1.2
109.02828	2.1
109.06495	1.4
111.00768	3.3
111.04403	24.3
113.05978	8.2
119.04919	1.7
120.99525	1.3
121.06462	2.2
122.03616	1.3
123.00759	1.3
123.08035	6.4
124.05190	4.4
125.05931	1.7
125.09613	10.4
135.02847	1.4
135.04399	2.7
135.08058	2.1
137.02333	1.6
137.05968	3.5
137.09634	2.2
138.06718	1.4
139.07541	21.4
140.07854	1.4
147.11714	2.2
149.09601	1.6
151.07526	2.2
161.09604	1.5
163.00586	5.5
163.03828	0.9
164.08337	1.5
165.09088	2.5
171.04364	1.7
175.07565	1.2
176.08325	1.0
177.09085	4.9
179.03445	1.4
179.05463	1.2
179.10596	1.0
181.08621	1.4
182.54472	1.0
187.03970	3.2
187.11267	1.3
189.12758	23.9
190.13036	1.2
193.01605	3.5
199.03917	2.5
201.12766	4.3
204.11598	1.3
207.08199	1.2
207.13847	10.1
208.46280	1.0
213.01903	1.5
214.02637	7.3
215.03346	2.7
219.08064	2.1
219.13869	16.6
220.14127	1.4
223.93169	1.0
225.09206	2.4
229.01402	1.0
230.02034	1.2
233.11816	3.0
237.09151	4.6
237.14864	10.3
238.15282	1.3
243.02995	1.1
251.12848	2.5
253.08646	4.6
263.07196	1.7
269.08224	1.9
271.02490	8.9
281.08340	1.8
281.13934	35.9
282.14294	3.1
297.07703	1.1
299.09305	3.0
315.08740	6.4
317.10501	1.0
325.07208	0.9
343.08170	3.3
361.05692	6.3
361.09573	100.0
362.05954	1.8
362.09863	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	361.0929
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
52.45333	1.2
54.76422	1.0
59.01243	3.1
71.01257	3.6
71.37037	1.4
71.37398	1.3
72.99172	20.2
79.95638	1.1
93.03348	2.6
96.95878	5.1
101.02300	1.1
107.04916	1.0
109.02824	1.9
111.00753	2.2
113.02355	1.1
121.02856	1.7
123.04423	1.2
151.00212	1.3
156.74478	1.1
165.05490	2.3
179.06999	1.5
181.06479	3.5
193.06500	7.9
194.00903	2.4
207.08075	11.0
208.08464	1.2
209.05952	1.9
211.07588	5.0
214.02582	1.3
219.08052	13.9
220.08670	1.1
223.07619	3.1
224.08281	2.0
225.09102	11.7
227.07193	1.2
235.07567	9.5
237.05608	2.4
237.09157	35.4
238.09554	2.4
240.07945	1.2
241.08659	3.3
251.07001	2.4
253.08656	34.6
254.09055	2.8
255.06583	2.6
255.10234	2.5
256.07306	2.0
257.08273	1.2
263.07159	10.4
264.07385	1.8
269.08154	6.7
279.06381	1.2
281.08170	24.6
281.13901	1.0
282.08398	1.6
297.07684	9.0
298.07990	1.4
299.09256	9.0
301.03101	1.1
303.99020	1.2
307.06155	2.6
315.08734	72.4
316.08994	6.3
317.10196	1.8
325.07147	7.3
343.08191	45.1
344.08392	4.6
361.09283	100.0
361.16614	4.7
362.09561	10.6
374.68057	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	361.0928
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
70.37021	0.7
72.99178	18.6
77.00924	0.8
93.03325	1.6
96.95818	0.7
119.04865	1.0
130.24864	0.8
149.74603	0.7
150.46466	0.7
181.06476	2.3
190.29274	0.8
193.06523	7.1
195.08118	1.5
207.08084	10.7
209.05989	2.5
210.06636	0.9
211.07587	3.7
219.08092	14.2
220.08371	1.5
223.07562	2.4
224.08424	1.4
225.09129	10.9
227.06935	1.1
235.07599	8.0
237.05426	2.3
237.09157	30.7
238.09494	2.6
241.08620	2.2
251.07233	1.9
253.08661	26.4
254.09105	2.2
255.06564	2.1
255.10144	1.5
256.07300	1.6
263.07132	8.3
269.08209	7.2
272.06982	1.1
279.06622	1.6
281.08170	18.9
282.08441	1.5
287.09186	1.0
297.07617	9.4
298.08011	0.8
299.09207	8.3
300.99951	1.3
307.06067	2.3
315.08725	67.9
316.08990	6.1
317.10312	1.2
325.07162	6.3
343.08191	46.5
344.08542	4.5
361.09256	100.0
362.09555	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	361.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01253	1.6
63.14321	0.3
71.51584	0.6
78.04290	0.3
99.02313	0.5
103.24063	0.3
157.02946	0.6
161.02333	0.6
169.02887	1.3
173.02385	0.7
185.02364	2.1
187.00365	0.7
189.07082	0.7
204.05798	0.7
213.01897	2.6
217.06531	1.0
232.05309	2.4
233.06015	4.0
235.03973	0.6
243.04330	0.4
245.06046	1.3
246.66985	0.3
247.04005	0.4
250.48203	0.4
259.04016	1.0
260.04807	1.7
261.05554	49.1
262.05887	4.1
264.04321	0.5
271.04062	0.7
272.04788	0.7
273.05588	1.9
276.04324	1.2
277.05078	2.0
279.06537	0.7
287.03552	2.7
288.04245	0.7
289.05072	41.1
290.05435	4.2
292.03436	0.4
299.03314	0.5
304.03705	0.8
305.04514	6.6
306.04898	0.7
314.92792	0.4
315.02969	4.2
316.03696	2.9
317.04514	11.4
318.04968	1.7
331.03058	0.7
332.03317	0.5
333.04044	45.0
334.04300	4.6
335.05560	2.3
336.06152	0.4
343.02734	0.5
360.28247	1.5
361.03522	100.0
361.23877	1.6
362.03860	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	359.1861
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
58.75163	0.2
59.01245	0.9
61.98708	0.3
67.42381	0.3
69.26877	2.8
75.98322	0.2
93.03329	1.6
98.20560	0.6
107.04930	0.5
108.02065	0.8
109.02843	3.3
119.04926	0.6
121.02843	11.1
122.03650	6.6
123.04406	0.6
124.01561	1.7
125.02361	0.3
133.06490	0.3
134.03624	5.5
135.04414	91.4
136.04726	3.7
137.02357	1.8
137.05972	0.4
147.04413	1.1
148.05142	0.4
149.05978	6.8
150.03111	0.8
150.06334	0.4
151.03909	1.2
153.01802	0.3
154.02690	0.9
161.05988	0.6
163.07596	0.4
165.05472	2.5
175.07570	0.4
179.07037	1.0
192.07823	0.3
193.08624	3.3
201.58067	0.3
203.90784	0.3
205.22787	0.3
207.10214	2.9
223.09668	0.3
315.16205	0.7
327.15820	0.5
329.13974	0.8
343.15585	0.9
344.16263	7.3
344.20447	0.4
345.16617	1.1
359.18619	100.0
359.27658	2.8
360.18954	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	360.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77448	0.7
59.01250	7.2
60.74421	0.9
70.66354	0.7
70.71861	1.6
71.01260	2.1
72.99176	2.6
74.98978	1.6
75.22428	0.8
79.95620	0.9
85.02811	1.0
87.00736	0.8
89.02313	0.9
92.39848	0.7
101.02305	1.1
108.02081	6.4
124.17370	0.9
136.99052	2.5
138.01863	100.0
139.02171	2.1
141.13989	0.7
151.02631	1.4
169.29988	0.8
173.04604	0.9
181.08672	0.9
191.05530	1.2
200.98801	0.8
237.09167	2.0
252.10181	1.0
272.06418	1.1
280.09827	0.9
314.54120	0.9
342.09781	3.6
360.10950	4.9
361.09442	3.0
361.14917	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	359.15
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
50.82729	0.5
52.94182	0.5
59.01249	2.9
59.76556	0.6
62.34117	0.5
71.01254	13.4
71.91689	0.5
72.01676	0.6
72.02016	3.3
73.02814	16.9
74.98934	0.6
79.95573	0.5
86.60777	0.7
93.03350	0.6
96.95867	0.7
99.04379	0.6
106.04070	0.7
107.04892	5.6
109.02824	0.7
113.02352	0.8
121.02853	2.7
123.04457	0.7
135.04424	1.6
136.99095	0.6
161.05962	1.1
163.03963	0.9
164.04675	1.9
165.05434	2.7
179.07057	100.0
180.07372	5.1
255.41888	0.5
314.08530	0.6
317.19540	0.8
340.14258	0.6
359.07840	0.9
359.15002	2.6
359.20477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.84886	1.5
58.00450	4.5
59.01249	100.0
70.72887	1.1
71.01252	60.1
71.06902	3.5
72.01595	1.3
72.99168	5.6
73.02794	3.0
83.01259	4.1
85.02821	13.8
85.58463	1.4
87.00759	1.9
89.02312	42.1
90.02602	1.4
92.04430	1.3
95.01268	6.2
99.00761	1.8
101.02324	29.7
109.02816	2.7
111.00725	1.4
113.02328	19.7
119.03386	13.1
121.02847	14.4
123.00771	6.0
125.02330	1.3
127.00324	1.4
136.98610	1.7
137.02338	10.5
137.99452	3.2
138.03117	5.4
139.00256	4.9
139.03908	3.8
153.01849	1.8
153.05511	13.1
155.03351	1.8
165.01793	4.1
166.99821	3.2
180.04216	3.2
181.01323	10.8
182.02127	15.6
182.05733	1.5
183.02887	3.7
195.06537	3.0
196.03683	5.4
197.04475	67.3
197.08145	3.1
198.04828	3.0
211.06001	10.3
215.27904	1.3
224.03140	5.0
239.05573	38.0
240.05972	2.1
244.20860	1.2
248.15282	1.5
265.38678	1.3
269.06595	2.5
276.67007	1.6
299.07672	6.1
344.07498	3.5
359.09814	87.7
360.10162	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	359.0772
Annotation	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01170	2.6
59.01442	1.2
66.85884	0.7
70.99481	1.6
73.02741	0.7
75.24252	0.6
76.90478	0.7
82.57161	0.6
84.18000	0.6
93.03252	1.3
93.58583	0.7
109.02766	1.0
109.53085	0.7
121.02760	1.8
135.98224	0.8
139.03920	4.5
147.00671	1.6
148.01483	1.3
148.98618	1.4
149.02345	11.3
149.99442	1.7
153.01750	1.6
161.02316	0.8
164.98125	1.6
165.98747	0.7
166.06201	0.8
170.03539	2.3
172.01590	4.3
174.03062	1.1
174.98862	0.7
175.00285	8.8
175.37181	0.7
177.98895	1.2
179.06944	1.9
180.00494	0.7
181.08525	0.7
183.56523	0.8
185.02301	1.0
186.03043	2.0
198.03139	1.9
201.01814	1.1
202.01027	0.7
202.02661	8.0
213.01753	1.0
214.02722	3.9
225.01826	0.7
229.01355	1.3
230.02184	7.1
241.01357	1.1
242.00256	0.8
242.02197	8.1
255.02895	0.8
257.00757	2.2
258.01666	17.9
259.02069	0.9
269.00742	1.8
270.01688	4.5
285.00378	2.4
285.03979	1.5
286.01190	27.0
287.01480	1.3
295.99579	1.6
297.00363	3.3
301.03513	8.9
302.03815	1.1
312.99869	1.3
313.97189	2.7
314.00644	42.6
315.00922	3.4
328.99634	3.6
329.02991	85.6
330.03250	5.9
344.05338	100.0
345.05688	9.9
358.26843	1.2
359.04279	2.6
359.07712	70.0
359.22391	2.1
359.28024	7.8
360.08102	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	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03322	1.1
59.01255	1.5
67.31619	0.2
69.03345	0.3
69.20010	0.2
70.37630	0.8
71.04887	0.6
73.02811	0.3
87.04383	0.2
97.06406	0.3
109.02854	0.3
119.18594	0.2
121.02837	0.2
125.09598	0.3
134.03635	0.3
135.04414	0.5
136.12537	0.2
136.91779	0.2
137.02307	0.3
139.11179	0.9
141.12756	0.4
151.03902	0.4
153.12717	0.3
155.14326	0.5
157.12236	0.4
163.03909	0.4
166.06972	0.2
169.12209	0.5
171.10161	0.4
171.13855	0.3
172.83247	0.2
176.97078	0.2
185.11736	3.5
199.13364	1.1
211.17024	0.3
297.24298	2.4
298.24545	0.3
303.23016	0.3
309.24384	2.6
310.24484	0.3
311.22186	1.0
311.25967	0.7
313.14407	0.3
313.27356	1.0
321.24292	0.6
325.23880	1.1
327.25369	16.0
328.25790	1.8
339.25351	4.1
340.25638	0.4
355.24936	1.2
357.26428	100.0
358.26770	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	357.1705
Annotation	Nectandrin A
Peak:m/z	Relative Intensity
57.03324	2.1
59.01244	4.0
60.14808	0.6
60.32413	0.6
65.02320	0.7
71.01218	0.6
71.51073	1.0
88.43222	0.7
93.03339	5.1
108.02031	4.5
109.02821	2.1
121.02837	72.5
122.03141	1.5
123.04408	5.5
123.99033	0.7
134.03618	5.9
135.04408	100.0
136.04724	3.5
137.02339	0.8
146.72548	0.8
149.05988	20.6
150.06319	1.1
151.03915	1.4
187.33096	0.7
195.06636	0.9
205.08633	1.3
206.09410	94.8
207.09772	5.4
219.10147	2.3
220.11020	4.3
221.11765	42.6
222.12128	3.0
233.11826	1.5
235.13333	17.4
236.13669	1.0
312.02994	0.8
327.12451	1.9
342.14563	3.0
357.04138	3.1
357.17032	94.1
357.26199	6.2
358.17328	10.8
373.70135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2646
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
50.53173	0.8
54.94484	0.7
57.03320	2.4
59.01250	100.0
60.01578	1.0
60.23307	0.7
61.03825	0.8
71.01243	0.8
71.50519	0.9
71.50921	1.1
74.97642	0.8
79.88654	0.8
93.03252	0.8
109.02828	1.0
121.02846	3.9
123.04404	1.5
125.02296	1.0
125.09540	1.5
135.04395	2.6
136.01523	1.5
138.03136	1.0
151.03909	2.2
179.07065	1.1
184.39160	0.8
188.56656	1.1
197.15463	1.4
297.24323	12.5
298.24561	1.6
309.39764	1.0
342.14725	2.3
355.24435	0.9
357.06189	1.1
357.09772	2.0
357.13385	2.1
357.17307	4.8
357.26440	79.1
358.26822	11.8
358.54285	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	357.1705
Annotation	CHEBI:68175
Peak:m/z	Relative Intensity
60.49869	0.2
69.70776	0.3
71.01255	0.5
71.22087	0.4
92.37489	0.3
93.03333	0.3
108.02043	0.4
109.02833	2.9
110.03612	1.1
119.04896	1.4
121.02820	1.9
123.00768	0.5
123.04380	1.7
124.01553	1.0
131.04970	0.3
133.06512	0.5
134.03676	0.7
135.04411	3.2
135.07980	0.3
136.01553	1.4
136.05199	0.4
137.02336	6.8
138.03123	5.7
140.34793	0.3
147.04422	0.3
149.02371	0.7
149.06013	0.5
150.03108	2.3
151.03903	7.5
151.05061	0.5
151.07593	1.4
161.05989	1.3
162.06767	0.9
163.03932	0.4
163.07571	1.1
164.04710	2.6
165.05431	0.5
175.07460	0.5
177.05482	0.6
179.07060	8.7
180.07463	0.8
183.08105	0.3
193.08679	1.1
209.08199	0.4
212.04846	0.3
225.05638	0.5
226.06146	0.3
227.14386	0.5
239.07040	0.5
251.07100	1.8
253.08653	1.0
255.06651	1.0
256.07437	0.3
257.08160	0.7
265.08707	0.4
269.08215	2.2
270.08853	0.4
271.09760	1.0
272.10464	0.5
281.08163	2.7
283.09808	4.9
285.11310	3.4
286.08679	0.3
286.11884	0.9
291.10211	0.3
292.11078	0.3
293.11813	0.7
295.13394	0.9
296.13742	0.4
297.11279	0.9
297.14746	0.6
299.09222	1.0
299.12598	0.3
300.09869	0.5
301.10770	1.4
309.11322	2.2
310.11618	0.4
311.12845	1.4
313.10800	8.0
313.14456	2.1
314.11490	3.2
314.14938	0.5
323.12778	1.8
324.13754	0.5
325.14276	2.3
326.11499	0.4
326.14914	0.4
327.12344	1.0
341.13919	10.2
342.14682	52.7
343.15002	4.6
356.12662	0.3
357.17044	100.0
358.17358	9.6
374.13730	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.1
61.67623	6.4
61.98701	100.0
67.40376	5.2
68.33426	6.1
77.73444	6.1
96.59626	6.0
114.47820	6.1
121.02818	20.1
135.04378	19.0
144.49300	6.4
166.01378	6.8
191.10712	6.2
293.95157	6.4
331.22217	6.9
356.08600	7.1
357.03906	71.1
357.16925	9.0
357.20731	13.5
357.26187	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.56089	0.3
59.01241	0.6
68.57014	0.3
82.82614	0.2
93.03354	0.4
94.73864	0.3
107.17853	0.2
121.02843	100.0
122.02359	0.6
122.03168	4.1
135.04398	0.3
136.01582	0.3
136.07552	0.4
151.03893	0.3
163.03947	0.4
165.01846	0.8
168.03009	0.3
179.69438	0.2
180.05731	1.6
181.06503	6.2
182.06850	0.4
190.01398	0.3
199.07445	0.3
225.05522	6.2
226.05788	0.5
243.07684	0.5
264.08762	0.3
271.07190	1.3
281.00821	0.6
312.29785	0.3
313.03555	1.1
313.07111	7.3
314.07364	0.9
327.25461	0.3
339.06088	0.5
339.25424	0.3
357.06189	28.4
357.26358	4.2
358.06595	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01251	33.7
63.25673	2.4
70.87709	6.1
71.01254	23.4
72.99186	4.9
79.15375	2.0
85.02806	3.6
89.02319	19.7
101.02319	15.3
113.02342	6.8
119.03390	7.4
123.04385	3.1
135.04404	4.2
136.05197	3.9
151.03891	5.1
152.07065	4.9
160.43297	2.5
162.03131	57.2
163.03723	3.8
165.23018	2.2
168.21417	2.3
177.05495	100.0
178.05830	7.0
179.05614	3.3
180.04167	8.7
183.10120	4.4
194.05679	2.8
195.06554	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.249
Annotation	2alpha,3alpha,4beta,15,16-Pentahydroxy-ent-cleroda-13Z-ene
Peak:m/z	Relative Intensity
57.03318	4.2
59.01258	2.6
69.03321	0.7
69.60241	0.4
71.01250	0.9
71.04887	1.7
84.18159	0.5
85.02798	0.7
85.06489	0.5
92.08120	0.5
93.83159	0.5
97.06458	3.3
98.19746	1.1
99.08034	6.6
111.08044	1.0
113.09577	0.7
119.04929	0.6
121.02821	0.7
123.08025	1.1
125.02325	0.6
125.09618	1.0
125.18258	0.5
127.07526	0.8
127.11168	0.9
129.09102	4.6
136.07574	0.6
137.02356	0.9
137.09616	0.7
139.11136	0.7
143.10670	5.5
149.05991	1.0
153.12740	1.6
155.10687	0.6
165.01833	0.8
167.14330	6.1
171.13812	1.2
175.03900	0.8
181.15878	3.4
193.04939	1.1
206.55096	0.5
211.03922	0.6
227.16451	1.8
235.06133	0.6
239.03542	0.7
239.16495	1.9
267.23267	3.5
295.22803	1.9
300.99954	1.4
307.22974	0.9
311.25922	14.7
311.29550	0.9
312.26291	1.5
319.22653	0.7
325.23822	16.5
326.24271	0.7
337.10931	0.6
337.23865	1.6
340.13077	0.9
355.04590	2.5
355.12003	2.2
355.16171	2.7
355.24872	100.0
356.04843	0.7
356.25223	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.31801	1.3
59.01262	1.9
60.93815	1.5
66.18761	1.3
70.55782	1.3
85.02819	1.5
97.05476	1.5
98.20577	4.2
109.02834	3.3
111.00715	1.4
122.03630	10.2
127.07539	2.4
135.04404	26.1
136.01509	2.6
147.08086	3.0
149.06035	2.1
149.09634	7.0
151.07501	2.9
154.02577	3.8
161.09573	7.8
163.07507	2.4
163.09816	3.0
163.11195	53.6
164.08325	14.8
164.11575	2.2
165.09120	8.8
177.09120	71.3
178.09885	22.2
179.10686	83.0
180.10938	2.7
183.10211	2.7
191.10675	14.7
193.08626	9.9
238.77931	1.4
265.12241	1.3
280.14584	2.9
281.15234	1.8
298.15732	56.1
299.16135	6.0
308.12643	1.6
322.19360	1.7
337.21722	53.0
338.22141	6.2
340.20395	89.7
341.20789	10.5
355.15646	2.7
355.22757	100.0
356.23141	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	355.1547
Annotation	Juglanin A
Peak:m/z	Relative Intensity
58.32619	1.2
69.35514	8.7
69.35910	1.9
76.78270	0.9
81.24876	1.1
107.04913	1.0
109.02820	4.3
119.04890	2.6
121.02848	3.0
123.04398	2.8
135.04411	3.5
137.02338	11.3
138.03072	2.8
149.02322	1.5
151.03879	7.6
161.05968	1.5
163.03891	2.3
163.07663	1.1
167.34697	1.2
175.07492	1.2
177.05510	1.5
226.06155	1.2
239.07146	3.4
269.08130	1.1
271.09781	5.2
283.09784	3.7
309.11212	4.0
323.12946	1.0
325.10672	2.9
339.12515	1.4
340.13116	62.1
341.13528	6.2
355.15469	100.0
356.15891	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	355.1545
Annotation	Juglanin A
Peak:m/z	Relative Intensity
59.01265	0.4
69.03333	0.4
69.22797	3.0
80.51410	0.3
83.04922	1.3
93.03333	0.5
95.04903	0.6
97.02837	0.7
107.04944	0.9
108.02064	0.4
109.02831	6.4
119.04900	2.6
121.02827	4.3
121.06587	0.3
122.34306	0.3
123.00787	0.9
123.04411	3.0
125.02330	0.4
131.04924	0.5
133.06538	0.6
134.03651	0.9
135.04414	4.1
136.01578	1.0
136.04836	0.3
137.02338	14.5
138.03122	3.4
139.03929	1.0
145.02873	0.6
147.04411	0.7
149.02318	1.7
149.06023	1.1
150.03149	1.4
151.03909	11.1
152.04335	0.3
157.06517	0.6
159.04474	1.4
160.05238	1.0
161.05995	2.3
162.93959	0.3
163.03915	2.7
163.07539	0.5
164.04704	0.9
165.05502	0.7
166.43741	0.3
175.07663	1.4
177.05429	1.6
178.06230	0.4
179.07060	1.2
181.44312	0.3
189.09109	0.6
190.06227	0.4
197.06079	0.4
201.09158	0.5
203.07121	0.7
204.07892	0.6
221.74100	0.3
223.07503	0.3
225.05592	0.6
226.06195	0.3
239.07098	5.7
241.04988	0.8
243.06653	0.7
251.07166	1.9
255.06706	0.8
265.08704	0.9
267.06912	0.3
269.08188	2.1
271.09747	8.4
272.10059	0.3
279.10214	0.3
281.11725	0.4
283.09708	5.0
284.10422	1.0
297.11255	1.2
298.08466	0.4
307.09793	0.4
309.11298	4.3
310.11493	0.7
311.12909	0.9
311.25778	0.6
312.13599	0.3
316.09677	0.7
321.11386	0.6
323.12698	0.5
325.10840	2.8
326.11160	0.6
339.12289	2.1
340.13123	73.7
341.13480	8.9
344.12494	0.5
355.15479	100.0
356.15814	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02029	2.4
52.00895	2.5
58.82568	2.7
59.00959	2.9
59.01248	43.6
59.67049	2.2
60.49500	2.6
70.99297	3.9
71.01242	28.6
72.70267	2.5
72.99159	3.5
73.02803	3.0
73.62114	2.8
74.73826	2.5
82.15541	2.4
85.02816	7.1
89.02316	12.9
93.03329	2.6
95.01225	3.1
96.95878	3.2
101.02296	8.7
105.24596	2.5
113.02322	5.1
116.48859	2.5
117.37930	2.3
123.04419	2.4
132.02022	9.0
133.02831	11.7
134.03627	92.1
134.04649	4.8
135.04137	3.8
137.02351	3.9
137.26009	2.8
147.04408	12.6
148.05193	6.9
149.05991	25.2
150.06667	2.6
153.46735	2.7
160.01553	70.2
161.02260	10.3
163.03751	2.8
175.03911	68.9
176.04703	33.5
177.01826	3.9
177.05276	3.1
177.33379	2.8
178.02567	14.1
191.07060	30.6
193.04990	100.0
194.05307	7.0
207.06544	5.9
217.04979	6.2
220.03700	4.1
235.06085	56.7
236.06432	4.8
265.07144	35.2
295.08188	61.9
296.08514	3.6
355.10117	7.1
356.69073	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.0
66.90699	0.3
69.03312	0.4
70.36880	1.1
70.37231	0.5
70.62119	0.3
71.01250	5.7
72.99172	0.9
76.90993	0.3
77.43085	0.4
77.68588	0.3
79.95575	0.3
81.41415	0.3
85.02847	0.7
87.00736	0.4
89.02316	4.3
93.03328	0.6
93.74438	0.4
95.01263	0.6
96.95871	2.0
101.02307	2.2
113.02323	1.6
119.03391	1.4
119.04911	0.7
121.02800	0.4
130.04120	0.4
131.04903	2.0
132.02077	8.4
133.02400	0.3
134.03635	7.1
137.02364	0.6
147.04413	2.0
149.06032	2.5
158.03629	1.7
160.01569	41.3
161.01866	1.7
163.03903	1.4
174.03151	3.0
175.03920	100.0
176.04221	5.2
178.02618	2.2
191.03400	4.2
191.07124	1.5
192.04030	0.5
193.04985	13.9
194.05295	0.6
206.05730	3.5
207.06335	0.6
217.05011	2.6
221.08107	3.4
235.06082	1.9
265.07178	0.8
295.08273	1.1
355.06628	0.6
355.10333	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	355.1034
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
50.50283	0.4
59.01238	1.8
62.87680	0.4
69.25319	0.4
70.30270	0.9
71.01247	0.6
72.99172	0.5
83.01263	0.5
85.02815	0.6
89.02296	0.7
92.02556	0.6
93.03318	3.1
95.01258	0.9
97.02844	0.5
99.75321	0.4
101.02355	0.5
108.02045	1.9
109.02826	0.8
115.00259	0.4
121.02834	0.5
121.06466	0.5
125.02340	0.8
134.03629	1.7
135.04388	0.7
137.02312	0.7
146.48619	0.5
147.04396	1.1
149.05981	100.0
150.06305	4.1
151.03825	0.6
153.01796	0.5
163.03938	0.7
167.03484	0.5
174.01628	1.5
174.03148	1.7
175.03883	2.9
178.02699	0.7
191.03439	1.8
192.04228	2.3
193.04985	34.6
194.05331	1.6
206.05820	1.7
210.18394	0.4
211.03993	0.7
221.08148	1.4
317.17389	0.4
355.06180	0.7
355.10352	12.0
356.10748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.76154	0.3
59.01247	5.8
71.01257	4.6
71.05383	0.5
72.99171	0.5
73.02817	0.5
76.42420	0.3
85.02827	0.8
87.00761	0.5
89.02325	4.4
93.03325	0.5
95.09673	0.4
101.02331	1.3
106.64814	0.3
113.02327	1.6
119.03371	0.9
119.04906	0.7
131.04939	2.2
134.03627	1.1
135.04443	1.0
137.02350	0.5
143.03416	0.5
147.04417	3.6
149.02344	0.5
149.05997	6.5
157.02884	0.8
158.03622	2.4
163.04004	0.6
164.01060	0.4
173.02342	0.7
173.04599	0.4
174.01700	0.6
174.03154	4.8
174.04706	0.7
175.03925	100.0
176.04285	5.6
178.99808	0.6
179.03520	0.5
181.04031	0.4
192.00558	7.7
192.02216	0.7
192.04211	1.3
192.05791	0.4
193.01353	10.6
193.04939	4.4
355.06662	5.5
355.10458	2.3
355.14594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	0.8
59.01250	11.4
69.40909	4.3
69.41338	1.2
71.01257	7.9
72.99178	0.7
85.14395	0.7
89.02314	10.3
95.90129	0.7
101.02321	4.2
113.02308	3.8
113.76305	0.8
117.03349	0.8
119.02643	0.7
119.03342	3.6
121.99486	0.6
130.04092	1.4
131.04919	2.7
134.03609	2.0
147.04407	4.6
149.06091	0.9
158.37987	0.7
160.01604	2.3
161.35985	0.6
173.02350	2.0
174.03149	10.4
175.03922	100.0
176.04243	5.1
179.05548	1.8
188.02066	1.0
193.04948	4.7
233.82469	0.7
235.06044	3.1
265.07208	1.4
295.08267	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.30537	0.2
59.01237	0.3
66.80956	0.2
67.89066	0.2
79.95605	1.1
96.95882	4.5
107.04899	0.4
147.08083	0.5
163.11188	100.0
164.11526	6.4
164.12921	0.3
173.04460	0.2
177.09117	76.5
178.09444	4.8
180.80379	0.2
190.09975	0.2
191.05479	0.3
219.41501	0.2
222.08955	0.8
296.14117	0.3
353.21170	99.2
354.21524	15.5
354.26059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	10.3
59.01234	49.7
59.77292	5.6
64.83822	5.9
68.64375	7.9
69.03323	10.8
71.01249	71.7
71.19193	11.3
72.99185	75.4
73.02811	57.7
73.33204	6.3
75.00749	10.7
83.01249	9.8
85.02822	85.6
87.00728	16.2
89.02309	8.9
93.03371	9.9
95.01263	19.5
96.95862	22.3
99.00726	26.0
101.02316	31.5
113.02326	100.0
115.00234	8.8
123.04367	10.0
129.01799	21.5
131.03387	48.2
132.24344	6.3
133.06454	8.4
135.04387	11.8
149.02325	11.2
149.05981	8.5
151.03893	15.6
151.07608	6.7
157.01337	11.7
159.04401	18.6
161.04399	7.2
161.05960	16.1
162.03116	11.4
163.03860	18.8
164.04662	13.1
165.01836	7.1
175.02390	62.2
177.05516	7.4
179.06990	9.7
187.03917	10.2
190.02518	14.6
193.01341	28.9
205.04918	21.9
205.83151	6.4
249.03986	16.0
265.05624	20.7
337.01895	42.8
355.08484	21.1
365.42743	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	353.1391
Annotation	Gancaonin I
Peak:m/z	Relative Intensity
52.14344	0.4
59.01223	0.8
62.92820	0.4
67.03787	0.4
68.28191	0.4
69.29457	4.1
85.02813	0.4
93.03275	1.0
95.01253	0.9
109.02826	3.3
119.04909	3.7
121.02845	2.7
122.03561	1.4
123.00722	1.0
131.04865	1.2
133.02856	0.4
134.03613	2.6
135.04399	5.9
136.01524	1.8
136.02484	0.6
137.02328	6.7
137.04416	0.4
143.04886	0.6
145.02925	0.9
146.03600	0.5
147.04413	2.3
149.02351	2.2
149.05968	1.0
159.04411	4.6
160.05177	3.1
161.02277	1.7
161.05983	12.2
162.03108	0.8
163.03903	0.7
173.05939	1.1
175.03902	9.7
175.07558	1.9
176.04686	6.1
177.05484	5.6
187.03871	1.1
189.05510	0.5
190.06219	0.9
191.05492	1.2
201.05519	3.6
202.06187	0.4
203.07056	0.6
213.05573	0.6
216.07756	0.6
217.04970	1.5
237.05402	0.6
239.07079	0.8
249.05519	0.6
251.06923	0.7
255.06512	0.6
263.07053	0.7
264.04230	0.9
265.72809	0.5
269.08047	2.2
277.08676	6.3
278.09183	0.6
279.06613	2.3
279.09924	0.8
281.08154	1.6
282.08951	0.4
283.09659	0.5
293.11746	1.1
294.08865	2.1
295.09756	9.0
296.10004	0.9
307.09753	1.3
309.11307	24.8
310.11957	7.3
311.12714	0.9
313.89633	0.4
314.07855	1.0
321.11282	1.6
323.09219	2.8
324.09943	1.4
337.10825	2.5
338.11563	63.7
339.11899	7.5
342.11099	4.9
353.13895	100.0
354.14230	10.9
370.10434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88766	0.3
55.97675	0.3
59.01241	1.2
65.36996	0.4
71.01262	0.5
73.02808	1.2
93.03331	60.6
94.03669	1.7
96.95882	0.4
117.03338	1.5
119.04898	1.7
121.02839	0.4
131.04898	1.1
133.02800	0.6
135.04449	2.1
139.03911	0.4
145.02827	1.8
145.06432	0.4
151.03877	0.9
155.04984	0.4
158.03572	1.4
159.04390	0.9
160.01611	2.1
161.02351	1.8
163.03915	6.7
164.04195	0.4
171.04419	2.3
173.02344	5.2
173.04472	0.4
174.03136	16.5
175.03900	3.1
177.05447	1.6
178.02650	0.7
179.03368	1.4
182.03647	0.8
183.04433	27.2
184.04779	1.8
185.02350	1.3
186.03130	2.6
187.03917	8.3
188.04268	0.5
189.01817	0.9
189.05402	0.4
190.02570	1.0
191.03391	1.1
191.05525	2.7
199.03935	6.8
200.04715	35.6
201.01921	1.8
201.05098	3.1
209.02386	3.0
215.03403	0.9
217.01289	0.5
217.06551	0.5
227.03441	32.4
228.03801	2.1
233.06046	1.1
234.06795	0.6
235.07527	1.6
241.05046	0.4
244.03766	1.9
250.06178	0.6
251.07030	1.4
258.05344	1.0
259.06082	85.9
260.06470	7.3
261.05527	6.3
262.05945	1.3
275.07092	1.6
277.05029	1.6
277.08701	1.1
278.05862	7.3
279.06595	69.5
280.07190	20.6
281.07623	1.5
283.84927	0.4
292.07404	3.3
293.08115	5.4
303.06616	1.0
311.11380	0.4
321.07642	8.0
322.08029	0.6
353.10272	100.0
354.10614	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	353.0878
Annotation	Scopolin
Peak:m/z	Relative Intensity
59.01252	5.1
67.40264	0.7
68.99676	1.3
69.69186	4.5
71.01250	3.1
74.02267	0.8
83.57972	0.6
85.02821	1.7
87.00748	0.8
89.02315	1.6
93.03315	1.4
99.57204	0.9
101.02319	1.1
111.00771	0.9
117.03337	2.4
119.03393	0.9
119.04918	5.8
121.02862	1.6
129.55556	0.9
134.03590	1.2
135.04414	4.5
145.02841	8.1
147.04425	6.7
161.02365	4.0
162.03098	3.3
163.03929	10.3
173.02347	44.6
173.04552	1.2
173.05916	1.4
174.02774	2.7
175.03928	1.3
179.03448	3.1
189.01843	7.8
190.02626	44.4
191.03415	100.0
191.05412	3.9
192.03825	4.8
203.03487	1.4
204.03748	0.8
233.04532	1.9
245.04663	1.1
314.39331	0.9
353.08746	8.1
353.12540	1.2
354.08926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
50.18438	0.6
54.74829	0.7
57.03318	2.0
59.01236	3.6
60.99179	0.8
67.01756	6.6
69.03344	1.3
69.25369	5.6
71.01249	4.6
73.02825	1.0
81.03313	1.3
83.04919	1.4
85.02818	11.8
87.00752	1.8
92.09462	0.8
92.16220	0.7
93.03332	34.9
93.97922	0.6
94.03617	0.9
96.95834	0.8
98.19840	1.6
99.04391	1.3
107.04899	1.3
109.02824	2.9
111.00758	1.1
111.04394	7.3
112.04745	0.7
127.03903	2.7
133.02847	2.9
134.03641	6.9
135.04410	84.2
136.04776	6.9
137.02348	7.1
152.62114	0.7
155.03380	6.5
156.79605	0.7
161.02309	4.4
173.04466	100.0
174.04820	8.8
175.04880	0.7
178.02563	0.9
179.03416	64.7
180.03770	4.3
190.02568	1.2
191.05533	58.6
192.05969	2.1
222.44516	0.7
236.01303	0.7
353.08737	10.5
353.12610	1.0
354.08932	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.1
59.01261	4.2
65.36110	0.8
67.01769	7.0
69.03310	1.9
71.01249	3.6
71.26595	1.2
74.84357	0.9
75.19093	0.9
81.03329	1.6
83.04898	2.6
85.02815	11.7
87.00753	3.2
93.03335	35.4
107.04906	2.1
109.02814	2.3
111.00790	2.0
111.04416	6.5
127.03918	2.9
133.02869	2.3
134.03622	5.8
135.04410	94.2
136.04791	4.3
137.02335	5.4
155.03394	6.8
161.02333	4.4
173.04466	100.0
174.04768	3.7
179.03415	64.1
180.03688	3.2
191.05540	52.4
192.05862	2.6
207.09052	1.1
353.08801	10.6
354.09174	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	353.0877
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
58.81343	0.4
59.01247	2.1
64.23341	0.3
67.01747	0.6
70.20492	1.6
71.01266	1.5
78.80659	0.4
81.03328	0.7
83.04902	1.1
85.02819	7.7
87.00760	1.5
89.02348	0.5
91.05390	0.4
93.03340	4.6
98.19830	0.4
99.00774	0.7
99.04376	0.6
100.60891	0.4
107.04910	1.7
109.02818	1.4
111.04422	2.7
117.03323	0.6
127.03901	1.9
133.02831	0.9
134.03630	5.6
135.04414	61.9
136.04768	2.3
137.02301	0.8
145.69411	0.4
149.05957	0.7
150.88887	0.4
155.03365	1.8
159.44548	0.4
161.02350	3.9
171.02884	0.6
173.04459	6.2
177.05487	1.3
179.03412	56.3
180.03757	2.8
191.05531	100.0
192.05873	3.9
221.04518	0.7
265.03479	0.9
353.01965	0.6
353.08685	13.3
354.09024	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	353.0876
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.01254	1.2
66.36942	0.3
67.01767	0.5
68.61958	0.3
71.01241	0.6
71.07515	0.9
73.02793	0.3
75.63211	0.3
83.04903	0.6
85.02822	6.7
87.00751	1.2
91.05382	0.3
93.03340	3.5
99.15120	0.3
107.04938	1.8
107.05579	0.4
111.04391	2.1
127.03893	2.1
129.01848	0.5
133.02837	1.4
134.03635	4.7
135.04410	64.0
136.04738	2.8
137.02356	0.5
155.03432	2.1
161.02359	4.0
173.04468	3.4
179.03413	51.6
180.03758	2.5
191.05533	100.0
192.05843	4.0
258.16788	0.4
265.35400	0.4
290.66647	0.3
353.08783	9.6
354.09021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1187
Annotation	Protopine
Peak:m/z	Relative Intensity
55.71103	0.4
59.01245	1.9
71.50278	0.5
79.95614	2.0
86.93011	0.4
92.04932	5.3
93.03376	0.7
95.95116	1.3
96.95886	21.3
105.82652	0.4
125.08069	0.4
135.04390	1.5
152.00104	1.1
152.36926	0.4
161.02353	1.7
168.88274	0.5
173.02361	0.6
174.03069	2.3
174.47778	0.5
175.03879	0.8
179.03374	0.9
187.03894	0.9
191.05530	1.8
192.08182	0.6
200.04706	0.7
203.07327	2.7
204.08133	4.6
220.07593	4.4
221.08200	0.5
222.09088	0.7
233.04744	3.1
234.05611	0.6
238.08716	0.6
246.05612	1.1
247.06400	4.4
248.07121	46.6
249.07532	4.3
250.05028	2.4
251.05795	6.1
256.04016	0.4
261.07901	0.7
262.08652	0.7
264.06451	2.1
265.07404	8.3
266.08200	100.0
267.08536	8.8
279.06262	0.8
279.08987	19.6
280.09537	2.1
290.11859	1.0
292.09845	1.1
308.12909	3.3
309.11380	1.5
334.10876	1.6
335.11380	0.5
338.11520	3.7
352.11932	14.9
352.21588	22.2
353.14087	6.3
353.22028	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	351.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96567	0.2
59.01228	0.3
70.18192	0.4
70.18584	0.4
76.54070	0.2
93.03316	0.6
117.03284	0.7
139.26657	0.2
144.07901	0.2
145.02837	0.2
161.02306	0.3
163.03854	0.2
173.02461	0.3
174.03125	0.7
175.03865	0.6
182.03578	0.3
199.03882	0.6
214.85197	0.2
221.05969	0.2
222.06754	0.3
224.04759	0.4
226.02676	0.4
232.05270	0.4
233.06036	0.9
235.04019	0.2
245.06073	0.2
246.06847	0.3
247.07564	0.2
248.04665	0.6
249.05534	3.7
250.06261	1.5
260.04745	0.5
261.00525	0.2
261.05554	2.3
263.07086	0.2
273.05505	0.8
274.06378	1.4
275.07147	5.3
276.04242	1.9
276.07437	0.5
277.05048	17.1
278.05829	100.0
279.06219	8.7
290.05826	0.2
291.06668	1.6
292.07346	1.6
299.13403	0.2
300.03644	0.2
301.05057	1.7
319.06122	7.7
320.06528	0.9
347.85770	0.2
351.08743	6.3
351.21701	0.2
352.09201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1351
Annotation	Moschamine
Peak:m/z	Relative Intensity
57.03318	0.4
58.02836	0.8
59.01250	2.0
67.48819	0.3
69.03316	1.0
69.17569	0.3
69.24654	3.6
72.48880	0.3
73.02832	0.4
82.05010	0.3
92.04936	2.6
93.03348	1.7
98.20583	0.6
99.00755	0.4
105.03339	0.4
116.04939	0.7
117.03336	0.5
121.02830	0.6
123.04423	1.8
124.01473	0.4
132.02065	0.5
133.02846	6.1
135.04427	1.0
137.02325	0.5
145.02901	1.6
149.02341	0.4
151.03928	6.3
158.64442	0.4
159.04434	0.4
161.02328	1.9
165.01863	0.3
173.02341	1.3
173.04475	3.2
174.03090	1.3
177.01859	4.3
185.00687	0.3
187.03975	1.7
189.01846	1.5
191.05486	1.6
192.08241	0.5
203.07356	5.4
204.08136	5.8
205.08415	0.6
206.05936	0.4
209.07137	0.4
218.06015	0.6
218.09608	0.4
219.06802	1.3
220.07622	2.5
221.07956	0.4
222.09233	2.5
230.09607	0.4
233.04683	3.0
234.05339	0.6
235.07558	0.4
236.03566	0.4
236.07082	0.8
237.05444	0.6
238.08670	0.7
246.05537	7.6
246.12906	0.5
247.06355	31.7
248.07114	43.6
249.04335	1.2
249.07515	3.6
250.05038	7.5
251.05762	4.8
260.07178	4.2
261.07895	3.3
262.04996	1.1
262.08670	2.1
263.05902	2.8
264.06635	16.1
265.04422	0.5
265.07413	20.7
266.08206	28.8
267.08566	2.5
273.07617	0.4
274.08755	4.6
275.09573	2.9
277.05035	0.7
278.05652	4.0
278.08649	1.9
279.06302	0.7
279.08978	8.9
279.11938	0.7
280.09720	2.6
289.10892	0.5
290.11859	5.4
292.07022	0.5
292.09875	6.5
293.10550	16.7
294.10736	1.6
307.22787	2.7
316.09726	2.1
318.09927	0.4
319.06174	0.4
332.11664	1.3
333.12427	50.2
334.13156	3.8
335.10452	2.8
336.11115	1.7
350.12506	0.4
351.13489	100.0
351.21442	8.4
352.09293	0.6
352.13831	10.7
352.21957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01743	1.7
57.03315	2.2
58.00474	2.1
59.01247	100.0
59.29430	0.6
60.01590	1.2
60.94833	0.7
71.01250	52.8
71.04906	0.7
72.01574	1.1
72.99190	5.5
73.02814	5.9
75.00771	1.0
83.01258	4.8
85.02821	15.2
87.00739	3.6
87.04366	3.4
89.02313	49.4
90.02657	1.0
92.59150	0.8
95.01289	4.2
99.00771	2.8
101.02319	35.9
101.05951	0.8
102.02650	0.9
102.98470	1.3
113.02325	21.0
115.07582	0.7
119.03391	20.4
120.03682	0.9
131.03419	2.3
143.03409	3.8
147.02908	1.7
149.04466	1.6
155.10725	2.3
159.02972	1.6
161.04462	12.8
166.05014	0.9
179.05505	5.9
187.13319	7.6
192.81680	0.7
195.06535	0.9
199.09665	1.1
199.89168	0.7
200.10086	0.8
201.11418	3.9
229.87019	0.8
277.40491	0.8
349.06693	0.8
349.10641	0.8
349.14740	2.5
349.18600	13.2
350.19092	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	350.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68523	0.4
59.01244	0.7
60.52936	0.3
61.55411	0.4
70.98584	0.6
70.98896	0.5
114.98917	0.4
129.43117	0.4
144.04451	100.0
145.04782	4.4
210.31941	0.3
306.09866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25391	1.3
53.74659	1.2
57.03323	3.0
59.01254	2.8
64.69122	1.3
64.82072	1.4
68.99682	1.4
71.01249	23.0
71.04877	2.8
71.08390	1.2
71.20850	1.3
71.21183	1.9
85.02814	1.5
87.04385	100.0
89.02303	2.9
99.00743	26.4
101.02318	8.2
120.01098	1.4
139.11169	13.1
147.02885	34.7
157.12224	2.2
189.36003	1.3
192.39749	1.7
201.11227	24.1
349.15021	25.0
350.15213	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	349.1864
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
50.48306	0.9
55.01747	4.1
57.03305	3.9
58.00456	5.3
59.01247	100.0
59.65777	1.0
60.01609	1.6
69.31516	9.0
71.01249	83.5
72.01578	1.8
72.99175	5.7
73.02813	14.6
75.00752	1.9
83.01260	7.8
85.02820	24.6
87.00748	3.6
89.02311	60.3
90.02618	1.2
95.01255	6.7
97.02821	1.9
98.19845	2.3
99.00744	5.0
101.02315	52.9
113.02325	33.2
119.03379	25.8
123.04415	1.1
125.02312	3.2
131.03407	3.3
137.02327	1.2
141.09068	1.5
143.03381	5.7
149.04465	2.1
159.02872	3.9
161.04454	19.2
164.59703	1.0
179.05534	8.8
187.13266	7.5
208.15613	1.1
262.97037	1.2
268.94641	1.0
349.18637	27.3
350.18948	1.3
366.98291	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	349.0021
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
56.69585	0.2
59.01247	1.1
62.61003	0.2
69.55943	1.4
80.96394	0.3
83.01289	0.4
89.02338	0.5
91.01791	0.4
96.95896	0.5
101.02332	0.4
107.01270	0.3
114.89192	0.2
121.02792	0.3
135.00775	0.4
135.04477	0.4
139.05412	0.5
141.07033	1.2
143.04930	2.1
151.05359	0.3
153.06982	0.4
154.04088	0.5
155.04979	0.3
157.06467	0.9
167.04959	0.8
169.06494	4.3
170.06779	0.3
171.04443	3.5
173.05923	1.4
173.67223	0.3
181.06488	1.8
181.07898	0.3
182.03638	0.5
183.04442	1.2
185.05981	1.6
189.01782	0.7
195.04422	1.6
197.06007	3.9
198.03210	0.7
198.06253	0.3
199.03932	0.7
203.98717	0.2
206.01326	0.2
211.03947	4.1
212.04404	0.3
213.05504	15.9
214.05769	0.8
223.03938	0.7
224.04697	1.2
225.05524	3.5
227.03407	1.1
233.06436	0.2
239.03459	0.6
240.04231	1.3
241.05031	9.8
242.05437	0.6
269.04535	100.0
270.01993	0.5
270.04877	8.6
277.05228	0.3
303.08826	0.5
339.28326	0.2
349.00098	3.4
349.03702	0.4
349.13080	0.7
350.00525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01658	1.3
57.03341	1.5
59.01253	3.0
62.58872	1.3
68.99683	1.4
70.30577	2.7
70.30944	5.0
71.01250	13.0
71.04906	4.9
85.02803	1.8
87.04392	100.0
88.04726	2.0
89.02314	3.9
99.00762	17.7
101.02336	9.2
115.00292	1.5
119.03375	2.9
124.91869	1.4
139.11191	14.3
143.25737	1.3
147.02901	51.6
151.48294	1.5
157.12218	2.6
160.20169	1.3
183.10179	2.1
201.11284	31.9
202.11676	1.5
239.52911	1.5
241.08260	1.4
331.12973	1.4
349.15009	41.9
349.18826	1.7
350.15256	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01755	1.6
57.03312	1.4
58.00463	1.7
59.01250	38.9
69.32529	2.1
69.32948	1.4
71.01251	28.3
72.99170	2.5
73.02824	3.9
75.00751	0.5
80.97620	0.4
83.01258	4.3
85.02821	7.8
85.03300	0.6
85.99967	0.4
87.00744	1.6
89.02315	15.1
93.37556	0.4
95.01267	2.7
96.95885	2.4
98.19833	0.9
99.00735	2.0
101.02319	19.1
102.98514	0.4
108.02090	0.6
113.02328	9.7
119.03394	4.5
121.02890	0.4
123.00782	0.8
123.04419	0.6
124.01582	0.5
125.02379	0.4
135.04402	0.9
139.00314	0.4
141.04129	0.4
149.06013	0.6
151.03937	0.8
155.10689	5.2
159.02875	0.4
160.59633	0.4
161.04485	1.7
167.10660	4.9
185.11700	2.2
191.05461	0.7
199.09648	2.9
244.06740	0.4
285.11188	0.6
303.12665	0.7
328.18451	0.4
329.16135	0.6
332.12759	0.7
347.17136	100.0
348.17538	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	348.0639
Annotation	m-Carboxyphenyl phenylacetamidomethylphosphonate
Peak:m/z	Relative Intensity
55.96467	0.2
59.01237	0.6
71.01211	0.2
71.51590	0.3
117.03336	1.7
145.02843	0.4
160.01538	0.2
161.02354	22.1
162.02638	1.2
163.03972	0.3
164.04228	0.2
173.02335	0.6
174.03136	1.9
183.04341	0.2
200.04605	0.3
211.03983	0.4
216.48259	0.2
217.06613	0.3
245.06090	0.5
246.06808	2.9
247.07205	0.2
254.86522	0.2
257.05893	1.0
258.06717	0.8
261.05609	0.3
273.05573	3.6
274.06345	6.3
274.09366	0.3
275.06818	1.0
284.04962	0.3
285.05627	2.7
286.06235	3.8
287.06882	0.5
289.05127	0.6
301.05048	8.0
302.05783	9.2
303.06384	2.2
304.06973	1.2
312.04227	0.3
313.05020	3.1
314.05518	0.4
320.06415	0.4
329.04550	10.5
330.05295	100.0
331.05780	15.4
332.06216	0.4
334.04636	0.2
347.05399	0.4
348.06335	70.8
349.06750	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01761	4.2
57.03312	4.1
58.00443	2.6
59.01250	86.9
63.97260	2.1
68.21157	2.3
68.38353	2.1
70.20893	5.4
70.21294	4.7
71.01255	85.1
72.99178	7.4
73.02818	12.7
75.00748	3.8
79.95597	4.7
81.03345	2.2
83.01267	11.0
85.02822	27.0
87.00741	6.1
89.02315	48.6
91.53719	1.9
91.70074	2.3
95.01261	7.2
96.95886	79.8
96.96516	4.0
97.06429	2.5
99.00757	7.5
101.02322	56.1
113.02328	32.6
119.03378	24.7
123.00780	3.7
123.04384	4.9
125.02335	3.4
125.09642	4.5
127.49504	1.9
131.03383	3.3
138.03130	3.4
139.00259	4.3
143.03395	4.6
147.74234	2.2
149.09621	23.6
153.01913	2.6
155.10675	6.4
159.02931	3.1
161.04478	20.6
163.03917	3.2
167.10680	5.9
179.05562	4.0
185.11737	22.3
193.04918	3.4
199.09685	23.1
201.01912	3.5
230.18260	2.2
261.75858	2.1
302.07962	3.0
317.10300	7.1
347.11722	41.5
347.17056	100.0
348.12149	3.3
348.17505	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	347.1168
Annotation	Compound VII
Peak:m/z	Relative Intensity
57.03315	1.0
57.33844	0.4
59.01243	1.1
60.55899	0.3
61.58818	0.3
69.53311	0.4
69.53712	2.2
71.01237	0.7
73.70625	0.3
79.95618	2.7
83.04885	1.3
89.02351	0.4
95.04897	4.2
96.95886	72.9
97.06447	0.5
98.03604	1.2
98.93245	0.4
101.02305	0.8
109.06483	2.2
110.60704	0.3
111.04387	1.5
113.05947	3.1
118.74297	0.4
122.97498	0.4
123.08044	0.3
124.05163	0.8
127.07533	0.4
135.08067	0.7
137.09618	2.8
139.07550	4.2
139.11275	0.5
145.10132	0.9
151.69609	0.4
153.09088	2.8
155.10678	25.2
156.10965	0.9
171.59532	0.3
187.14809	0.8
199.09645	0.9
203.14362	1.0
205.15912	12.7
206.16234	0.5
223.16925	2.3
249.14969	0.3
267.16022	14.8
268.16284	1.2
269.00916	0.5
303.12592	0.5
329.10648	1.2
347.11673	100.0
348.12006	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23455	1.5
55.72058	1.8
56.97195	1.5
57.03326	10.7
59.01245	10.2
60.99176	1.9
63.02638	1.5
68.99676	2.9
70.98569	3.1
71.01249	26.5
71.94812	1.4
72.99180	2.7
83.37299	1.4
85.02821	52.3
86.03104	1.7
86.03601	23.8
87.00743	2.0
89.02322	7.0
97.06487	1.9
99.00753	33.8
101.02312	15.9
105.01875	1.5
105.72961	1.6
109.02818	1.9
111.08060	3.5
113.02342	1.9
117.01810	3.2
118.02610	3.5
119.03367	4.7
119.08533	20.5
121.06449	2.1
137.09619	26.7
147.02885	77.0
148.03072	1.6
155.10680	100.0
156.11024	3.8
174.50797	1.8
181.08566	4.9
199.09679	91.0
200.09959	4.4
347.09595	1.5
347.13434	32.6
347.17099	2.3
348.13702	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	345.1705
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
59.01245	2.4
69.21783	8.2
69.22187	1.9
71.01235	1.4
73.02824	1.5
81.03309	1.0
83.04890	2.1
89.26974	0.9
93.03320	2.2
99.04440	1.0
106.04132	5.6
107.04906	58.3
108.02053	6.0
108.05245	1.4
119.04914	4.4
121.02835	14.7
122.03658	8.9
123.04410	3.1
129.16823	1.0
132.05682	1.6
135.04405	26.6
136.04727	1.2
137.02374	1.9
137.05948	3.0
147.04422	2.1
147.08109	1.5
148.05180	1.6
149.05937	3.4
154.02615	1.4
161.06009	1.5
163.07524	1.2
164.08334	1.7
165.09050	1.2
171.08049	5.4
174.06737	1.8
177.09154	1.4
187.07600	1.9
193.08611	9.5
194.09154	1.4
206.09390	4.8
220.07458	1.9
221.08177	1.4
222.08919	45.7
222.11104	2.2
223.09695	61.1
224.10023	3.0
237.11285	43.3
238.11626	2.9
309.14987	13.9
314.97861	1.6
315.01337	2.8
327.16028	12.5
345.17038	100.0
346.17386	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	15.6
61.98700	100.0
71.50036	4.2
72.81125	3.2
83.58194	3.0
90.52495	3.3
92.83398	3.2
145.98497	3.2
146.03571	3.4
203.99924	33.6
219.06766	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	347.0559
Annotation	Engelharquinone
Peak:m/z	Relative Intensity
55.32224	0.4
56.71806	0.4
57.77539	0.5
59.01223	0.7
63.87961	0.5
71.01214	0.6
71.50864	0.9
83.01244	0.4
95.44955	0.4
97.28293	0.5
101.28519	0.4
112.97413	0.4
117.03344	2.6
117.14536	0.5
145.02850	8.8
146.03157	1.0
159.04459	1.0
160.01591	1.7
161.02373	6.8
162.02640	0.7
163.03897	3.0
171.86084	0.5
173.02351	10.3
174.02711	0.9
182.03613	0.4
183.04443	5.1
185.02306	0.5
187.03925	1.2
199.03880	1.5
211.03958	1.6
226.02664	0.6
229.06424	0.5
230.07375	0.6
231.08109	0.7
235.03926	0.9
245.06079	1.9
246.06743	0.5
256.05325	0.6
257.06091	2.5
259.07751	0.9
261.05554	0.9
263.06976	0.7
272.04684	0.5
273.05472	3.1
274.06253	2.2
275.07028	2.8
284.04980	0.5
285.05576	9.5
286.05862	1.5
291.06644	0.8
300.04269	1.5
301.05029	7.3
302.05710	1.7
303.06622	15.0
303.10077	0.7
304.06964	1.5
314.70026	0.5
318.05261	1.1
319.06006	2.9
320.06482	0.8
328.03784	0.7
329.04526	63.9
330.04874	7.7
345.04047	0.7
346.04727	3.2
347.05554	100.0
348.05872	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	345.1552
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01756	5.0
57.03323	4.5
58.00459	4.2
59.01247	77.0
60.01598	0.7
69.03320	1.1
71.01250	75.9
72.01584	0.9
72.99171	6.5
73.02814	16.0
75.00726	2.4
83.01252	8.5
85.02818	27.5
85.99950	1.5
87.00739	3.1
89.02312	37.7
93.03391	0.9
95.01251	6.7
97.02833	0.9
98.19765	1.7
99.00747	7.4
99.04389	0.8
101.02318	55.0
101.41577	0.6
102.02650	1.4
102.98434	1.0
103.34318	0.7
109.02808	0.9
111.00798	0.8
113.02330	31.0
119.03385	19.5
120.76388	0.6
120.99522	1.7
121.10108	5.2
125.02325	2.5
129.01883	0.9
131.03404	1.8
135.02844	1.1
139.00168	0.7
143.03384	2.0
149.04512	1.2
153.09105	2.4
159.02861	2.0
161.04466	9.6
165.09100	2.6
167.10706	0.8
173.04428	0.8
183.10164	1.9
184.99039	0.8
301.16638	1.6
345.15509	100.0
346.15793	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	345.1705
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
54.76138	0.3
59.01240	1.2
70.58755	0.7
70.59152	0.8
71.69146	0.4
77.32205	0.4
78.53376	0.4
83.04910	0.5
93.03320	0.5
93.27665	0.4
108.02036	1.8
109.02842	1.5
119.04937	0.4
121.02827	3.1
122.03626	5.9
123.04416	1.1
124.01563	1.5
134.03644	0.8
135.04413	100.0
136.04692	3.6
137.02397	1.0
137.05984	1.1
151.03850	0.6
151.07547	0.4
154.02620	1.0
165.05511	2.0
191.10608	0.7
192.07820	0.5
193.08643	4.1
206.09433	0.6
207.10172	2.4
220.97557	0.4
236.07538	0.3
236.12051	0.3
261.05588	0.5
287.01987	0.9
303.16147	0.5
313.14478	1.1
315.01303	0.5
317.04504	1.0
327.15897	0.4
330.03790	1.0
330.14728	3.5
331.14838	0.5
345.03708	2.0
345.17035	91.6
346.04797	1.5
346.17358	9.3
354.83786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1549
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
58.00455	1.0
59.01251	3.1
63.62411	0.5
64.67627	0.5
67.82344	0.4
69.26009	2.7
69.26433	1.9
71.01250	1.5
73.02814	24.3
74.78471	0.4
76.98360	0.4
85.02834	0.9
90.79695	0.5
91.05392	0.6
93.03324	1.3
93.80772	0.4
95.04894	0.8
99.04396	3.6
103.05363	0.7
105.03334	1.3
106.04123	7.7
107.04218	0.7
107.04905	11.9
108.02049	6.9
108.05261	0.6
109.02831	9.3
119.04939	3.2
121.02881	2.3
121.03609	0.4
122.03626	1.7
123.04401	7.2
134.03625	3.8
135.04408	13.5
135.05431	0.8
138.03104	1.0
145.06487	1.1
147.04410	22.7
148.05211	7.8
149.05975	3.9
150.03069	0.6
155.92375	0.5
159.04395	1.4
160.05183	1.3
161.05971	12.8
162.06729	1.8
163.07550	5.9
164.04680	1.4
164.08020	0.4
165.05446	2.5
175.07564	1.9
175.29723	0.5
179.07077	0.7
185.05992	1.1
191.07056	1.1
192.07774	0.4
193.08591	3.3
202.06131	0.5
203.07184	2.3
220.07294	3.5
221.08118	17.6
222.08850	6.4
223.09300	0.8
232.67685	0.4
234.69472	0.5
235.09676	4.0
237.11302	9.5
238.11652	0.9
269.98074	0.9
277.16531	0.5
292.11008	1.0
297.97607	1.7
307.13297	2.0
310.12061	0.6
312.99921	2.3
325.14505	5.2
326.14789	0.9
328.02267	2.2
328.12915	0.5
343.04428	2.7
343.15457	100.0
344.11679	0.8
344.15814	12.6
349.57883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1548
Annotation	Fragransin A2
Peak:m/z	Relative Intensity
52.92073	0.4
59.01229	0.6
66.43963	0.3
68.35644	0.3
71.01210	0.5
85.25599	0.3
93.03284	0.6
95.01179	0.4
101.02351	0.3
109.02845	1.6
119.04918	21.2
120.05160	0.9
121.02842	11.4
122.03612	0.4
123.00712	0.8
123.04369	0.8
124.01538	0.7
134.03621	2.0
135.03465	0.6
135.04404	8.8
136.01538	1.7
136.05067	0.4
137.02350	4.7
137.05893	0.4
138.03130	8.6
147.04413	2.1
147.08023	0.3
148.05125	0.4
149.02339	2.0
149.06006	1.7
150.03076	0.9
151.03909	6.7
152.01051	0.4
152.04663	0.4
153.01732	0.3
159.04362	1.2
160.05170	0.7
161.05913	1.4
162.06673	1.1
163.03842	1.4
163.07507	0.8
164.04707	2.5
165.05489	2.6
171.08044	0.4
177.05486	21.9
178.05893	1.1
179.06989	1.2
180.07843	1.0
190.06175	0.8
193.08578	1.2
205.08542	0.5
206.09416	2.6
207.06557	0.7
207.10109	0.9
208.07382	2.3
209.08119	3.3
211.07552	0.6
229.04979	0.5
255.06590	2.0
256.07239	1.3
269.08173	5.6
277.91846	0.4
283.09543	0.4
283.13278	0.5
285.07724	0.7
288.06400	0.7
299.09274	1.1
310.12350	0.5
311.01968	1.1
311.12845	2.9
312.13071	0.4
313.03690	0.5
327.12402	3.0
328.13129	46.1
329.13522	4.8
343.15472	100.0
344.15833	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81776	0.6
57.03325	8.2
59.01242	2.5
66.52547	0.5
69.24088	2.5
69.24516	3.4
75.00716	0.6
83.04883	2.0
93.03334	1.9
109.02849	1.0
119.04952	1.5
120.99514	1.0
121.02843	7.6
123.04381	1.0
134.03572	0.7
135.04376	0.8
147.04408	0.8
149.05980	1.5
156.54066	0.6
161.06013	0.7
162.98071	0.7
163.03920	2.1
163.07536	8.0
163.94992	0.6
164.04686	7.7
165.05478	23.0
165.06877	1.2
166.05830	1.2
169.01404	0.5
177.09119	2.1
179.07054	100.0
180.07391	6.1
189.09180	1.1
237.11380	0.8
248.87025	0.5
271.09482	0.7
285.07602	3.3
297.97504	1.8
299.01923	1.7
312.99863	2.4
313.03540	0.9
313.07007	2.8
325.14670	0.8
328.02206	1.9
328.09494	8.4
329.10013	1.0
343.04865	1.1
343.11752	5.4
343.15561	11.1
343.20029	0.7
343.21277	0.7
344.12192	1.0
344.15942	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	343.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01662	0.3
59.01236	1.5
63.13756	0.3
104.41205	0.3
107.01255	0.3
121.02840	0.7
131.85054	0.3
151.00179	0.7
186.03111	0.8
198.03061	0.9
214.02611	3.3
226.02695	1.1
241.01384	3.0
242.02145	24.2
243.02469	1.5
245.00902	6.0
254.02145	2.3
255.02965	1.4
257.04575	0.5
270.01675	35.6
271.02017	2.8
271.06198	0.4
282.01630	0.9
283.02347	0.7
284.03177	0.9
285.04034	22.3
286.04395	1.7
298.01172	8.5
299.01633	0.9
299.05679	0.8
313.03519	100.0
314.03857	9.2
325.14441	0.5
327.05185	0.6
328.05841	36.2
329.06152	3.9
343.08191	69.4
343.15289	3.1
343.28214	0.6
344.08548	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03318	0.4
59.01245	16.1
59.92169	0.3
60.01587	0.3
66.83697	0.3
69.36241	1.9
70.68540	0.2
71.01267	1.3
81.03328	0.4
81.79852	0.2
85.02796	0.4
85.92171	0.2
87.04375	0.3
89.02328	0.4
93.03320	1.3
95.01214	0.3
95.04881	0.5
98.20512	0.4
101.02296	0.8
107.04893	0.7
108.02087	0.3
109.02831	6.6
109.06480	3.7
113.02313	0.4
119.03401	0.3
119.04906	4.4
121.01971	0.5
121.02842	6.9
122.03661	1.3
125.02341	0.5
135.04408	4.9
137.05978	31.1
138.06337	1.1
149.05962	0.3
158.60516	0.3
165.01877	0.2
166.02614	1.2
170.37280	0.3
173.04433	0.8
179.03481	0.4
181.04977	100.0
182.05322	3.8
191.05536	0.7
255.10252	0.7
273.40698	0.4
290.05908	0.4
291.06662	0.5
293.04489	0.3
308.06805	0.4
309.07779	0.4
335.05304	0.3
343.10321	10.2
343.13922	0.7
344.10873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.3
65.00204	0.6
69.17552	1.1
69.17945	4.9
71.01247	0.7
78.95777	0.7
82.71191	0.4
89.02360	0.8
93.33013	0.5
98.19788	1.1
121.02858	1.6
121.03721	0.4
129.06566	0.4
145.02849	0.5
145.06491	0.5
147.00836	0.5
149.03918	0.6
153.05486	0.5
153.98360	0.5
165.01837	4.2
179.63066	0.4
182.03592	1.1
186.03209	0.8
198.03145	2.9
213.05579	1.6
214.02669	3.5
226.02647	6.7
229.05040	0.7
241.01381	2.0
241.05086	2.1
242.02139	22.3
243.02542	1.3
245.00916	3.9
254.02168	12.4
257.04541	9.3
258.04794	0.6
269.04517	8.0
270.01682	19.3
271.01959	1.8
285.04013	12.8
286.04355	1.0
298.01102	5.6
299.01334	0.7
313.03516	100.0
314.03833	8.8
328.05844	81.7
329.06149	6.8
333.54041	0.5
343.08194	42.9
343.14917	1.3
344.08511	4.4
354.16983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68655	0.4
59.01256	0.8
95.04900	0.7
99.08072	0.8
117.03362	0.7
122.03649	0.5
123.04403	8.3
123.05270	0.5
130.04230	1.0
132.02119	0.9
133.02846	9.5
133.12311	0.4
134.00024	1.6
135.04437	1.8
137.99417	0.5
145.02904	1.0
148.98766	0.6
149.99469	2.8
154.04126	3.1
156.02075	7.8
161.06013	1.4
164.98204	3.3
170.03680	1.3
171.10179	0.9
175.00206	0.6
177.99013	2.0
180.00549	1.4
182.03671	4.0
184.26927	0.5
186.03171	4.6
193.01314	1.0
193.12294	1.8
198.03139	4.6
214.02615	3.0
225.01894	0.9
225.14915	2.5
226.02670	10.3
227.03104	1.2
228.00627	1.3
241.01372	0.7
242.02177	7.4
242.04369	0.7
243.16032	1.1
254.02168	4.6
255.02641	0.6
257.04675	0.8
269.00937	1.7
269.04703	0.5
270.01682	39.8
271.02054	3.9
281.01028	0.5
285.04065	10.1
286.04370	1.0
298.01172	50.9
299.01486	4.2
313.03528	77.9
314.03857	8.5
328.05859	100.0
329.06195	9.3
343.08200	47.4
343.15332	3.3
343.24850	10.5
343.28842	0.4
344.08490	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	343.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54481	0.5
57.15269	0.5
57.30701	0.6
59.01249	4.2
71.01252	1.3
85.02808	0.5
89.02335	1.0
98.20893	0.4
101.47298	0.4
113.02365	0.7
121.02824	1.3
126.76390	0.5
130.00542	0.9
135.04411	0.5
145.99963	0.7
173.99487	1.1
185.99542	1.1
197.99551	2.1
209.11768	0.6
213.98940	0.6
226.99785	0.6
229.01331	0.6
229.24782	0.7
241.98511	1.8
254.99452	2.7
257.00928	2.4
269.01160	0.6
269.98041	39.1
270.98273	2.8
282.98828	0.6
283.99521	0.8
285.00409	16.7
286.00729	1.4
297.00159	0.8
297.97540	65.9
298.97900	3.8
299.01874	1.3
302.25287	0.5
312.99896	98.5
314.00256	7.1
327.01459	0.5
328.02231	100.0
329.02576	8.9
343.04559	59.5
343.15381	3.0
343.28552	0.8
344.04880	5.8
363.39569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.4
69.16892	0.3
69.17290	1.8
71.01247	0.9
73.16608	0.2
81.03320	0.2
89.02315	0.3
89.03480	0.2
91.39516	0.2
93.03330	0.6
101.02365	0.2
111.04418	0.2
115.05434	0.5
120.99582	0.2
121.02833	0.3
127.05447	0.3
129.61229	0.2
135.04414	0.5
143.04913	1.0
147.04501	0.2
155.04865	0.3
159.04419	0.5
161.02292	0.3
161.06004	0.9
171.04420	2.6
173.02342	0.6
173.04472	0.8
174.03117	0.5
177.05650	0.2
179.03268	0.2
181.02856	0.4
182.04454	0.2
183.04463	0.7
184.01588	0.8
187.03952	0.8
191.05595	0.2
195.04797	0.2
197.02431	0.5
198.03181	0.6
199.03929	4.1
200.01129	0.3
200.04385	0.2
212.01123	1.0
214.02812	0.2
215.03419	1.7
225.01883	1.6
226.02634	1.1
227.03453	5.7
228.00591	0.2
228.03770	0.5
242.02158	0.4
243.02924	2.8
254.02217	0.3
254.04930	0.2
255.02916	1.2
262.55139	0.6
263.05621	0.3
269.00912	0.2
270.01675	0.3
271.02460	0.7
282.01773	1.3
283.99631	3.3
284.99973	0.3
291.06537	0.3
297.00327	0.5
298.01202	2.1
299.01953	100.0
300.02295	7.4
300.05392	0.2
343.00934	6.7
343.08020	0.6
343.15244	0.4
344.01398	0.7
344.09674	0.2
352.05798	0.2
355.60648	0.2
362.37180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28879	0.4
50.35070	0.4
57.03309	1.1
59.01250	10.7
64.56272	0.5
69.03314	2.3
69.26299	4.4
71.01251	8.8
71.04890	0.5
72.99203	0.7
74.83994	0.4
81.20881	0.4
83.04893	1.9
84.02029	4.1
85.02817	1.5
89.02317	9.6
95.01281	0.6
97.02816	1.6
97.06465	12.1
98.19843	1.0
99.04373	1.0
99.71906	0.4
101.02344	3.4
113.02328	3.3
119.03387	3.5
119.08559	0.5
125.09631	1.8
127.11152	1.5
131.03412	0.6
135.21843	0.4
137.09613	1.3
143.03456	1.0
149.13210	0.5
151.11153	0.7
157.12207	2.7
161.04521	0.6
165.12766	1.2
171.08771	0.8
171.10178	12.2
172.10402	0.5
175.11168	0.6
179.05527	3.3
185.11714	0.7
185.92552	0.5
193.12263	17.0
194.12657	1.1
195.17523	0.5
197.15398	0.7
211.13356	3.3
213.18529	0.7
221.11729	1.0
225.14900	21.1
226.15240	1.9
232.62982	0.4
243.15950	9.1
244.16301	1.0
253.14363	1.2
285.40186	0.4
291.19705	1.2
295.26392	0.6
297.27957	0.7
305.21121	0.5
323.22382	0.8
341.10855	4.6
341.23291	100.0
341.26846	6.2
342.23602	11.6
342.27536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Brosimacutin C
Peak:m/z	Relative Intensity
57.03311	0.5
59.01245	2.7
68.09051	0.4
69.18041	0.7
69.18446	3.8
71.01258	2.2
83.04898	2.0
84.02045	0.6
89.02308	1.8
93.03347	1.2
97.02779	0.5
101.02324	0.6
109.02830	7.5
109.03532	0.8
117.03316	0.8
117.60236	0.4
119.03409	0.8
119.04911	5.2
121.02840	23.0
122.03697	0.7
123.00774	0.8
123.04428	1.8
124.01521	1.2
125.02316	0.4
129.06883	0.4
133.06458	0.5
134.03625	2.0
135.04411	13.2
136.01559	1.5
137.02345	17.7
138.03139	9.7
145.02875	0.9
147.04443	2.2
147.08072	0.4
148.05208	0.9
149.02377	2.4
149.05980	1.9
150.03108	3.0
151.03912	5.0
159.04427	3.1
161.04747	0.3
161.05954	2.4
162.03119	0.9
163.03946	3.0
163.07648	0.4
164.04674	1.5
171.10172	1.3
175.03914	0.9
176.04697	1.4
177.05481	27.5
178.06041	2.3
179.05528	0.6
179.07034	0.5
185.06017	0.6
187.07542	1.0
189.05556	0.7
190.06252	0.6
191.07063	0.4
201.05479	0.6
203.07091	1.8
204.07838	5.7
205.08694	3.1
211.07457	0.5
219.06572	13.2
220.07268	1.9
251.06981	0.7
255.06645	2.1
257.08148	2.0
269.08176	6.4
270.08875	1.0
283.09875	0.9
302.07950	0.5
307.10007	0.5
308.10757	0.6
309.11337	0.6
309.97693	0.4
317.85089	0.4
325.10660	1.3
326.11572	45.0
327.11871	4.7
341.13919	100.0
342.14221	10.9
358.10635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.00451	0.4
59.01247	5.9
69.95023	0.2
70.31244	0.2
70.34592	0.2
70.82640	0.4
71.01247	3.8
72.27618	0.2
72.99161	0.4
84.85433	0.2
85.02824	1.1
85.90369	0.2
87.00756	0.3
89.02312	4.3
91.05408	0.3
93.03325	0.2
95.01285	0.4
101.02326	2.0
106.68452	0.2
107.04899	2.9
113.02336	1.5
117.03353	0.4
119.03394	1.6
123.04356	0.2
133.02885	1.2
134.03632	3.8
135.04407	100.0
136.04744	3.7
137.02325	0.4
143.03474	0.3
148.05128	0.2
149.05969	1.0
151.03893	1.2
161.02348	4.6
161.04454	0.6
162.02754	0.3
177.05495	1.5
178.02600	0.3
179.03415	19.7
179.05482	1.8
180.03737	0.8
191.03635	0.3
193.04948	0.7
221.04477	2.1
251.05559	1.9
281.06647	3.5
341.08249	4.3
342.09311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.80508	0.5
55.01753	1.0
56.91167	0.5
57.03318	2.1
58.00474	4.0
59.01248	100.0
60.01585	1.2
69.30899	4.8
71.01250	63.7
72.01583	1.1
72.99178	3.8
73.02810	1.9
76.72208	0.5
83.01292	2.5
85.02822	10.8
85.03307	1.0
87.00738	3.9
89.02313	57.8
90.02650	1.2
95.01250	3.6
98.20536	0.8
101.02321	24.0
113.02330	19.0
114.02660	0.5
119.03380	18.0
131.03412	2.7
135.04446	0.8
143.03400	4.6
149.04454	1.8
161.04468	5.7
179.03911	0.9
179.05513	18.5
214.90834	0.5
291.97202	0.6
304.32123	0.5
341.10886	20.5
342.11218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.03323	2.3
58.00465	4.8
58.15529	0.7
59.01247	100.0
60.01574	1.1
71.01250	68.9
71.48532	1.6
72.99189	5.8
73.02805	3.0
83.01253	3.7
85.02821	14.2
87.00748	3.6
89.02312	59.2
90.02630	1.2
95.01280	4.0
99.00756	1.9
101.02315	34.3
101.22962	1.0
102.02697	0.9
107.04923	1.1
113.02318	24.9
119.03386	27.2
119.04256	1.5
121.02859	1.0
131.03395	3.3
131.04921	0.9
133.02843	6.1
133.06442	1.0
134.03635	2.7
135.04407	38.0
136.04752	2.6
143.03387	3.4
143.04926	2.8
149.04469	1.7
159.04428	1.9
161.02338	14.4
161.04486	4.2
161.05980	4.6
179.03445	6.8
179.05510	8.4
181.82182	0.8
193.27667	0.8
341.11093	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	341.1391
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
59.01257	2.2
70.06622	1.3
71.00801	0.3
71.01253	1.9
83.04897	2.0
84.97661	0.3
85.02747	0.5
89.02332	1.9
93.03330	1.9
95.01260	0.4
101.02304	0.7
108.02010	0.5
109.02837	7.0
113.02283	0.6
117.03313	0.6
119.03443	0.5
119.04917	5.8
121.02842	28.5
122.03561	1.5
123.00707	1.2
123.04432	2.2
124.01580	1.7
133.06419	0.6
134.03641	2.7
135.04408	15.3
136.01512	1.6
137.02344	21.8
138.03136	12.2
139.03345	0.6
145.02815	1.7
147.04439	2.7
148.05136	0.6
149.02332	3.2
149.05959	2.3
150.03125	3.0
151.02853	0.5
151.03914	6.7
152.01009	0.4
159.04428	3.3
161.02286	0.7
161.06036	3.1
162.03027	1.0
163.03912	3.8
163.07510	1.0
164.04649	1.4
165.05429	0.9
169.06474	0.6
173.05945	0.5
175.03822	1.1
175.07524	0.4
176.04739	1.9
177.05489	34.9
178.06177	3.4
179.03400	0.5
179.05360	0.5
179.06981	0.8
187.07529	1.3
189.01881	0.5
189.05418	0.4
189.08916	0.4
190.06192	0.7
201.05453	1.2
203.07047	2.0
204.07843	7.1
205.08624	5.1
207.06688	0.4
211.07460	0.7
219.06560	17.1
220.07188	2.6
227.07027	0.5
241.05136	0.4
241.08655	0.4
244.07355	0.4
253.08597	0.6
255.06534	2.9
257.08224	3.2
269.08231	7.2
270.08826	1.4
283.09763	0.9
297.11469	0.5
298.11926	0.4
302.08078	0.7
307.09634	0.4
309.11313	1.3
325.10834	1.8
326.11572	57.3
327.11905	5.5
328.96866	0.4
341.13916	100.0
342.14264	11.9
358.10547	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68659	0.9
57.03301	1.1
58.00469	1.2
59.01248	35.2
69.48414	2.3
69.48816	7.5
71.01252	25.3
72.99172	2.0
73.02809	3.1
75.00739	2.5
83.01246	3.4
85.02813	3.2
87.00766	11.2
89.02312	27.4
89.03831	1.1
91.27430	1.0
93.03336	1.5
95.01273	1.8
98.19796	2.3
99.00748	3.2
101.02312	13.2
105.01804	10.9
107.01262	1.1
109.02833	2.3
113.02332	11.3
115.25561	1.1
117.01929	1.0
117.03339	4.8
119.03383	11.5
119.04856	3.1
121.02799	3.3
131.03369	1.6
133.02811	1.6
134.03625	100.0
135.02856	3.0
135.04048	4.0
137.02362	2.7
143.03362	3.3
147.02852	5.0
147.04478	1.3
149.02345	14.5
149.05963	5.6
151.00298	2.6
161.02325	2.8
161.04475	3.2
164.04674	9.2
165.03957	48.0
166.04288	1.3
178.02614	4.1
179.03404	4.9
179.05559	10.9
179.07037	2.4
193.04982	84.9
194.05405	4.0
211.67749	1.1
221.04533	2.5
223.06059	16.2
299.12668	1.3
321.38214	1.2
341.02615	1.6
341.11008	9.6
341.19766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.2
68.99685	0.6
69.55548	5.4
71.01254	9.6
75.00742	0.8
76.14926	0.6
83.01299	0.7
84.76366	0.7
85.02872	0.9
87.00774	1.7
89.02322	7.7
89.03858	3.2
99.00764	3.9
99.28149	0.7
101.02335	4.8
113.02319	2.2
117.01968	0.7
117.03349	9.6
119.03398	3.7
134.03633	100.0
135.03903	4.2
137.02361	1.8
147.02890	8.5
149.05983	10.0
152.61362	0.7
161.02342	1.1
161.04546	0.7
165.03969	2.4
178.02643	6.5
179.03339	2.0
179.05438	3.3
193.04994	98.7
194.05370	4.4
211.04324	1.1
253.08701	1.0
297.18506	0.7
341.11212	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
59.49516	0.3
61.19534	0.3
65.78882	0.3
69.35049	0.9
69.35456	1.8
70.71999	0.3
71.01246	3.8
75.51938	0.3
86.95352	0.3
87.00752	0.3
89.02333	1.9
89.03844	2.3
94.17210	0.3
99.00754	3.1
99.58728	0.3
101.02316	2.2
105.01801	0.5
106.04126	0.5
113.02335	0.4
117.03340	7.3
118.03720	0.4
119.03359	1.0
121.02835	0.5
134.03625	74.6
135.03923	2.6
137.02321	1.0
139.03896	0.5
147.01781	0.7
147.02890	8.0
149.04842	0.6
149.05977	6.0
165.04007	1.6
177.51257	0.3
178.02615	4.8
179.03336	0.5
179.05545	0.5
179.07065	1.0
193.04982	100.0
194.05318	5.5
213.54329	0.3
224.28499	0.3
300.92181	0.4
341.08469	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	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.00452	0.3
59.01248	8.2
71.01254	6.5
71.01608	0.4
71.48922	0.3
72.99184	0.3
73.02838	0.3
85.02856	0.8
87.00752	0.4
89.02314	6.3
89.02821	0.3
91.05476	0.3
95.01300	0.4
101.02332	2.9
104.73270	0.3
107.04951	0.9
113.02331	2.0
117.03364	0.5
119.03378	2.4
127.67039	0.3
133.02867	1.1
134.03639	4.3
135.04411	76.7
136.04758	3.5
137.02380	0.6
143.03404	0.5
149.05992	0.6
161.02356	3.8
161.04520	0.9
177.05490	0.9
178.02606	0.4
179.03415	100.0
180.03769	4.4
193.05006	2.0
221.04558	1.5
251.05507	1.4
281.06665	3.4
341.08511	12.2
342.08896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08200	0.9
56.54082	1.0
57.03316	1.0
59.01247	15.1
59.65379	0.9
63.02256	2.8
65.00198	4.2
70.56313	1.0
71.01250	12.6
72.99150	1.3
80.91557	1.2
83.01261	3.9
85.02836	2.1
87.00729	1.5
89.02313	14.8
89.03825	1.2
93.03339	0.9
95.01257	1.2
95.04909	1.4
98.19748	1.9
101.02326	6.3
107.01241	7.0
109.02837	21.1
110.91986	1.1
113.02335	4.7
117.03353	1.2
119.03410	7.1
119.04913	2.4
121.02827	2.9
121.05180	1.0
122.03593	1.3
123.04399	16.9
125.02325	3.0
133.02855	5.6
135.00789	1.2
135.04419	2.0
137.02316	1.2
143.03366	1.6
145.02870	1.8
147.04367	5.1
148.01581	3.6
149.02289	1.8
150.03087	2.0
151.00272	13.7
151.03912	8.7
159.04402	1.8
160.03928	2.6
161.02364	10.3
161.04494	1.2
162.02989	1.4
163.00285	2.3
164.01036	1.5
169.01363	2.3
175.03967	1.1
177.01845	28.1
178.99782	4.1
179.03413	1.4
179.05490	3.7
179.07054	2.8
186.01920	3.1
187.00212	1.7
187.03984	1.8
188.04817	1.1
189.01862	67.8
190.02649	16.2
191.03424	12.9
203.03456	8.4
211.04124	1.3
212.03456	2.6
214.01370	16.6
216.00603	11.8
216.04248	1.3
217.01376	38.5
218.02251	1.6
219.02937	15.3
227.03477	3.0
231.02972	11.6
233.04512	1.6
236.03548	1.1
241.05150	1.8
243.03023	2.4
252.03035	1.1
254.04626	2.0
255.02957	4.9
269.04547	1.2
271.02429	10.7
272.02847	1.4
278.04910	1.0
283.02478	1.2
285.01093	1.1
285.03894	5.9
294.04034	1.5
295.02432	3.4
296.02698	1.2
297.07495	1.1
299.99124	7.4
300.02689	55.5
301.03058	5.3
312.01675	1.0
313.03464	10.2
322.03561	10.5
340.00931	1.6
340.04489	21.2
340.07785	1.5
341.06677	100.0
341.10583	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	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.31446	0.3
55.47459	0.3
71.25177	0.3
98.20617	0.5
106.37728	0.3
117.22759	0.3
147.08046	0.5
152.17238	0.3
163.11198	100.0
164.11543	6.3
168.21225	0.3
229.27103	0.3
267.45044	0.4
339.23260	32.0
340.23560	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	340.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08200	0.9
56.54082	1.0
57.03316	1.0
59.01247	15.1
59.65379	0.9
63.02256	2.8
65.00198	4.2
70.56313	1.0
71.01250	12.6
72.99150	1.3
80.91557	1.2
83.01261	3.9
85.02836	2.1
87.00729	1.5
89.02313	14.8
89.03825	1.2
93.03339	0.9
95.01257	1.2
95.04909	1.4
98.19748	1.9
101.02326	6.3
107.01241	7.0
109.02837	21.1
110.91986	1.1
113.02335	4.7
117.03353	1.2
119.03410	7.1
119.04913	2.4
121.02827	2.9
121.05180	1.0
122.03593	1.3
123.04399	16.9
125.02325	3.0
133.02855	5.6
135.00789	1.2
135.04419	2.0
137.02316	1.2
143.03366	1.6
145.02870	1.8
147.04367	5.1
148.01581	3.6
149.02289	1.8
150.03087	2.0
151.00272	13.7
151.03912	8.7
159.04402	1.8
160.03928	2.6
161.02364	10.3
161.04494	1.2
162.02989	1.4
163.00285	2.3
164.01036	1.5
169.01363	2.3
175.03967	1.1
177.01845	28.1
178.99782	4.1
179.03413	1.4
179.05490	3.7
179.07054	2.8
186.01920	3.1
187.00212	1.7
187.03984	1.8
188.04817	1.1
189.01862	67.8
190.02649	16.2
191.03424	12.9
203.03456	8.4
211.04124	1.3
212.03456	2.6
214.01370	16.6
216.00603	11.8
216.04248	1.3
217.01376	38.5
218.02251	1.6
219.02937	15.3
227.03477	3.0
231.02972	11.6
233.04512	1.6
236.03548	1.1
241.05150	1.8
243.03023	2.4
252.03035	1.1
254.04626	2.0
255.02957	4.9
269.04547	1.2
271.02429	10.7
272.02847	1.4
278.04910	1.0
283.02478	1.2
285.01093	1.1
285.03894	5.9
294.04034	1.5
295.02432	3.4
296.02698	1.2
297.07495	1.1
299.99124	7.4
300.02689	55.5
301.03058	5.3
312.01675	1.0
313.03464	10.2
322.03561	10.5
340.00931	1.6
340.04489	21.2
340.07785	1.5
341.06677	100.0
341.10583	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	339.1234
Annotation	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
Peak:m/z	Relative Intensity
57.03310	0.6
59.01238	2.2
71.04855	1.0
71.31313	1.1
76.37476	0.5
83.04885	6.0
85.06458	2.5
93.03325	1.6
107.04881	1.9
109.02831	2.7
111.08034	0.7
113.09569	0.8
119.04919	6.4
121.02850	14.4
122.03605	2.1
123.00777	1.5
124.01509	1.5
125.02349	0.5
133.02803	1.7
134.03624	7.7
135.04414	21.5
135.05450	1.2
136.01547	2.0
137.02327	6.5
138.03152	5.2
143.04930	0.8
145.02838	0.8
147.04414	2.8
149.02351	0.9
155.14294	2.0
159.04402	2.9
160.05157	2.4
161.02338	1.8
161.05977	6.9
162.03105	0.7
173.05997	0.8
174.03081	0.7
175.03914	13.7
176.04694	6.5
177.05408	2.1
183.13818	2.2
185.05962	1.7
187.03963	1.1
187.07607	0.7
188.04712	1.7
189.05444	1.4
190.06248	1.1
201.05501	5.1
202.06302	5.5
203.07054	6.7
204.04234	1.0
211.03975	1.1
212.04391	0.7
213.05444	1.2
213.18590	0.6
217.04984	9.0
218.05788	3.2
222.03148	5.3
223.03616	0.8
224.04694	1.4
225.05498	1.3
239.03432	1.8
239.07085	1.1
239.63148	0.6
240.04218	1.6
250.02669	5.3
251.03377	1.4
255.06555	3.3
267.02902	1.0
267.06647	3.2
278.02240	8.0
279.02786	2.7
279.10303	0.7
280.03323	1.1
283.05988	0.8
285.07672	1.2
288.06534	0.7
295.02463	0.9
295.09680	11.0
295.26428	7.1
296.03171	1.7
296.10278	1.6
306.01837	0.9
307.02475	6.8
307.09799	1.1
308.02930	0.8
309.11322	4.0
323.02057	0.9
323.09171	2.4
324.02762	45.4
324.09995	50.5
325.03049	4.9
325.10248	5.3
339.05344	30.0
339.12332	100.0
339.25427	9.4
340.05756	4.1
340.12659	13.1
340.25967	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	339.1084
Annotation	Juglanoside C
Peak:m/z	Relative Intensity
53.67219	0.5
58.00460	0.7
59.01248	21.6
69.83930	3.2
71.01252	12.7
71.01628	1.1
72.99162	0.8
85.02816	2.7
89.02321	13.4
95.01293	0.7
101.02331	4.3
113.02325	4.9
115.05419	29.8
116.05739	1.3
119.03365	3.9
125.48863	0.5
131.04901	0.9
158.03639	4.5
159.04420	100.0
160.04738	5.0
161.04523	0.7
177.05475	2.8
179.05554	2.1
219.06621	0.6
269.11584	0.7
326.42578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Sinapoyl-(S)-malate
Peak:m/z	Relative Intensity
54.22775	2.8
58.83648	2.9
59.01256	29.3
63.03549	2.5
71.01247	31.0
71.08569	6.6
73.02815	6.4
85.02832	6.2
87.00752	4.8
89.02286	6.4
96.95869	4.3
101.02304	8.7
109.02834	4.1
115.00214	5.3
119.03388	3.9
121.02823	8.9
125.02306	4.4
133.02820	3.2
134.03610	5.5
135.04413	16.0
136.04771	4.8
137.02379	3.5
147.04385	7.9
149.02348	46.6
159.04424	100.0
160.04790	3.8
161.02344	5.1
161.04524	3.4
164.04700	31.6
174.01682	4.0
177.05472	11.0
179.03455	6.9
184.09715	3.2
191.03307	4.0
193.01349	3.5
221.04437	6.0
223.03876	4.5
223.06052	63.1
224.06441	4.6
236.65154	2.8
299.99072	6.5
339.01385	3.6
339.10907	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	339.0509
Annotation	LMPK12113393
Peak:m/z	Relative Intensity
75.73617	0.2
85.88733	0.3
85.89237	0.2
86.40034	0.2
101.00455	0.2
102.02563	0.2
150.32011	0.2
162.33968	0.2
183.04445	0.4
185.02269	0.2
195.04425	0.5
196.05217	1.3
198.03130	0.4
211.03983	1.1
212.04659	0.9
222.03162	13.9
223.03703	1.6
224.04678	1.1
224.43982	0.2
229.27457	0.2
235.03978	0.3
239.03413	3.1
240.04253	4.7
241.04752	0.3
250.02684	13.2
251.03281	3.3
252.04234	1.2
263.03323	0.3
267.02960	1.8
268.03760	1.2
278.02182	19.1
279.02887	7.2
280.03519	1.8
295.02505	3.0
296.03137	2.6
306.01694	2.2
307.02460	15.8
307.06207	0.2
308.02875	1.3
323.01950	2.0
324.02728	100.0
325.03067	8.8
339.05063	64.4
339.25485	0.8
340.05438	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	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.40424	1.0
55.01753	0.9
59.01243	3.8
60.74754	0.7
65.29748	0.9
68.99679	2.4
71.01247	3.7
71.49243	1.1
73.02811	1.5
83.04884	1.2
85.02826	6.2
87.00755	1.7
89.02321	1.0
93.03343	3.9
99.00762	3.8
101.02322	2.2
108.48991	1.1
111.00758	1.6
111.04396	3.0
113.02319	4.2
113.99476	15.3
114.83873	1.0
115.00245	5.3
119.04915	71.1
120.05237	3.0
127.00256	2.1
129.01819	2.2
135.04396	1.1
145.02866	1.0
155.03426	2.0
157.01343	2.4
157.47403	0.9
163.03917	100.0
164.04280	5.7
173.04456	5.7
174.01620	14.0
191.05530	11.4
193.01233	1.0
203.10629	0.9
277.05643	13.7
337.07736	43.9
338.08102	2.3
338.23517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51317	0.4
57.03324	0.4
59.01249	4.3
59.02568	0.4
60.98083	0.4
69.21766	4.2
71.01251	1.2
85.02823	0.7
89.02305	0.8
98.20570	0.9
117.79817	0.5
139.05391	0.5
155.04892	0.4
161.02287	0.5
167.04921	2.9
171.04384	0.8
174.03165	0.7
182.03629	0.9
183.04440	5.6
185.02400	1.1
189.29996	0.6
195.04422	3.3
197.02406	0.7
199.03909	4.4
209.02466	0.8
211.03947	20.9
212.04276	1.5
213.01846	0.5
213.05450	1.1
223.03941	1.9
226.02606	1.0
227.03445	10.5
229.05023	1.3
237.01836	2.2
238.02406	0.6
239.03450	24.2
240.03796	1.9
251.03539	1.5
254.02005	0.6
255.02954	11.7
256.03186	1.0
265.01407	1.4
266.02264	1.6
267.02948	7.5
268.03415	0.5
280.06885	1.7
282.01721	1.1
283.02472	27.8
284.02823	2.0
285.03970	0.5
293.00958	3.7
294.01468	1.1
295.02512	5.4
297.11960	0.6
311.01959	9.1
312.02350	0.8
321.00314	1.0
323.01791	1.4
324.02719	1.0
339.01431	100.0
339.25195	1.5
340.01877	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01236	2.2
60.86933	0.3
60.99165	0.6
64.62967	0.3
67.01760	5.8
69.03326	1.4
71.01244	4.1
71.36775	0.5
73.43734	0.3
81.03317	1.1
83.04902	1.2
85.02813	1.0
87.00757	0.7
93.03331	33.1
94.03673	0.9
95.01198	0.4
96.95888	0.4
108.01997	0.3
109.02837	1.1
111.00746	1.1
111.04401	5.5
113.02290	0.4
115.00238	0.3
119.04913	15.7
120.05254	0.7
120.82412	0.3
127.03931	0.8
135.04408	0.4
137.02354	4.5
155.03391	4.8
163.03915	17.2
164.04231	0.6
173.04465	100.0
174.04790	3.3
191.05525	2.1
258.93771	0.3
337.09296	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	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
61.23208	0.4
69.25037	1.6
69.25462	2.2
74.30853	0.4
85.68766	0.4
89.94620	0.4
98.19818	0.5
110.45480	0.3
112.35460	0.4
131.04918	3.1
147.04410	0.7
157.02896	0.4
173.02345	0.6
174.03128	8.6
175.03920	100.0
176.04279	4.4
197.92340	0.4
201.90900	0.3
256.41913	0.4
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
57.72603	0.4
59.01244	0.9
70.36589	1.0
70.36980	1.0
71.00888	0.4
71.01257	0.7
81.03342	0.8
83.04902	1.8
85.02826	2.5
87.00729	0.5
93.03329	5.3
101.05951	0.4
105.82449	0.4
111.04403	4.4
119.04916	100.0
120.05238	5.2
127.03874	0.7
135.04373	0.5
155.03389	3.3
163.03920	95.0
164.04263	4.9
173.04478	4.2
191.05545	15.6
192.05884	0.5
337.09174	1.0
355.60504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03315	1.0
59.01254	4.1
60.01614	0.6
67.01760	7.7
69.03325	1.8
71.01252	5.5
71.30726	1.2
81.03308	1.7
83.04888	1.8
85.02832	4.8
87.00752	3.3
93.03333	41.2
94.03669	1.0
104.92872	0.5
109.02827	1.8
111.00767	1.3
111.04394	6.4
113.02322	1.2
115.00253	1.3
119.04915	27.3
120.05239	1.3
123.88230	0.5
127.03885	1.2
137.02348	4.4
145.02849	0.7
155.03386	3.9
163.03915	20.8
164.04263	0.8
173.04466	100.0
174.04782	3.4
175.03978	0.6
191.05530	34.2
192.05894	1.5
337.09042	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44523	1.3
53.94708	1.4
59.01241	5.8
68.99702	2.0
69.15095	17.8
69.31053	1.4
71.01247	3.1
83.01216	1.6
85.02827	6.1
87.00779	1.9
89.02332	1.8
98.19749	2.7
99.00721	2.9
101.02336	1.8
111.00812	3.1
113.02352	5.6
113.99481	13.0
115.00234	4.3
119.04910	21.6
124.97834	1.5
127.00234	2.8
129.01791	2.4
129.40565	1.4
157.01363	3.7
163.03918	57.8
164.04257	2.2
173.04480	3.7
174.01590	18.0
175.02373	2.0
191.05496	5.8
193.01376	1.8
205.04916	2.1
249.03926	1.8
267.69821	1.6
273.19415	1.7
277.05634	19.8
337.07742	100.0
338.08044	5.8
345.24518	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	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01260	3.9
66.26402	0.6
67.01772	0.6
68.99673	2.4
69.03301	0.9
71.01247	2.6
71.48441	0.9
72.99141	0.6
73.02833	1.4
74.98974	0.8
75.00745	1.7
77.48753	0.5
77.85026	0.6
78.40633	0.6
83.01238	1.4
85.02818	6.3
87.00748	2.5
89.02313	1.7
93.03336	1.2
95.01241	1.1
96.95879	0.6
97.02815	1.2
99.00746	4.6
101.02306	2.4
103.12835	0.6
111.00752	2.2
113.02330	5.2
113.99467	15.9
115.00271	6.1
119.04936	3.2
125.02287	0.6
127.00239	2.2
129.01813	1.7
151.03918	0.7
155.34404	0.6
157.01331	4.6
161.06041	0.9
163.03896	6.5
169.01323	1.1
173.04445	1.3
174.01613	15.2
174.03139	0.9
175.02376	1.4
189.07620	1.5
193.01372	0.9
205.04974	2.1
249.03957	1.3
277.02805	1.0
277.05667	16.4
278.06006	1.1
337.07761	100.0
338.08102	6.1
346.32434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0713
Annotation	Antibiotic SS 228Y
Peak:m/z	Relative Intensity
50.38864	0.3
56.13911	0.3
59.01246	1.5
61.21023	0.3
62.57044	0.3
65.80090	0.3
66.46909	0.3
71.01257	0.8
71.50887	0.5
73.02834	0.4
84.46049	0.3
85.02804	0.4
93.03338	0.7
108.02058	0.7
109.02835	6.1
117.03345	3.3
119.04878	0.4
121.02860	2.7
130.93759	0.3
131.04900	0.4
133.02881	0.6
135.04413	9.3
136.04756	0.5
145.02835	1.8
146.86543	0.3
149.05975	0.3
159.04399	0.6
160.01595	0.7
161.02341	6.9
162.02693	0.5
163.03914	19.0
164.04286	0.6
173.02356	6.9
173.04019	0.3
173.04524	0.4
174.03108	3.5
174.53259	0.6
175.03920	2.9
183.04402	1.9
186.03107	0.7
187.03928	15.6
188.04221	1.0
189.01833	0.7
189.05458	0.3
191.03384	0.5
199.03954	0.8
200.04678	1.8
201.01875	6.0
201.05502	4.0
215.03531	0.4
217.01402	1.0
221.05997	0.6
222.06711	0.3
223.07680	0.7
225.98296	0.3
227.03473	3.7
233.06006	1.2
248.04713	0.5
249.05568	2.7
250.41289	0.4
251.07040	0.4
266.05875	0.6
267.06448	0.6
276.04260	1.1
277.00467	0.4
277.05087	7.1
278.05850	1.9
287.17429	0.3
291.06592	1.0
293.04526	0.9
293.08154	1.2
293.24777	0.6
294.05368	2.3
295.06094	37.0
296.06400	2.9
309.07565	0.6
319.06110	1.2
331.05472	0.5
337.07156	100.0
338.07520	9.5
338.11591	0.4
348.06296	0.6
349.06662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83039	0.5
59.01236	1.2
70.10348	0.3
70.62304	0.4
71.80552	0.4
79.95609	1.7
80.02552	0.5
83.96480	0.4
91.01765	1.3
92.02584	0.9
93.03333	7.1
95.01261	1.4
97.14293	0.4
103.98445	0.4
107.04916	6.6
108.02049	26.5
113.70282	0.4
121.02840	39.1
122.03183	1.1
123.04404	28.7
124.04743	0.7
133.02850	0.7
135.00775	8.3
136.01518	1.3
143.85094	0.4
149.02322	0.5
151.03923	6.9
166.02563	0.7
175.03914	1.3
181.06503	0.9
187.00630	4.5
195.04459	1.4
197.06029	2.4
224.04733	2.3
225.05522	21.9
226.05869	1.5
227.07158	1.9
229.08542	0.5
239.07056	1.4
242.05820	1.2
255.06720	0.4
257.08173	100.0
258.08517	8.1
337.03864	46.0
337.23868	0.7
338.04172	3.9
359.05475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96543	0.2
59.01241	0.8
69.24819	2.2
71.01241	0.7
72.99180	0.4
78.91749	2.5
85.02836	0.3
87.44857	0.2
96.78625	0.2
101.02357	0.2
119.04910	0.6
134.03589	0.4
135.04413	0.3
143.03351	0.4
145.02861	4.7
146.03134	0.5
149.05983	0.4
158.03629	0.5
158.25426	0.3
161.04486	0.7
173.00780	0.4
173.02362	28.5
174.03139	100.0
175.03639	6.2
187.03952	0.3
193.04967	0.3
194.94420	0.3
255.09769	0.3
318.86121	0.8
336.09018	1.3
336.87241	0.7
337.08426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
71.01258	0.6
71.51174	0.6
72.69648	0.3
119.04916	0.8
120.14926	0.3
137.02426	0.4
145.02844	5.2
158.03651	0.5
163.03897	0.6
173.02354	30.4
174.03131	100.0
175.03656	6.2
183.02881	0.8
184.03313	0.7
187.41678	0.4
219.06419	0.4
230.99278	1.2
246.01813	0.4
246.06664	0.5
292.06717	0.5
336.08463	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	336.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	6.6
57.03316	4.9
58.00447	1.7
59.01249	31.2
68.56805	1.5
71.01250	42.2
71.50121	1.6
72.99186	4.4
73.02817	21.2
75.00723	1.6
77.42804	1.7
83.01245	13.5
85.02822	30.0
87.00727	3.0
89.02317	4.3
93.03335	3.8
95.01289	2.7
97.02811	2.2
99.00745	8.5
99.44149	1.6
100.46083	1.3
101.02317	93.7
108.66070	1.6
111.00755	3.5
111.04432	1.6
113.02331	16.9
119.04901	2.9
121.02768	2.2
121.07686	1.7
125.02368	2.3
128.04945	1.5
130.06516	51.3
131.06804	3.4
134.03612	2.0
136.04726	1.7
137.02321	1.7
142.06548	5.2
143.03421	2.2
144.08075	1.9
145.38106	1.8
154.06516	2.8
158.05917	2.3
159.02925	2.5
161.04469	8.0
163.03940	7.5
172.07625	10.6
173.02280	1.8
173.04477	11.3
174.03168	1.6
174.05482	2.7
188.07057	2.3
193.05147	1.8
198.09203	1.9
200.07088	16.6
214.08682	3.4
217.01421	2.1
232.09619	3.2
261.00262	1.6
281.70712	1.5
292.11880	100.0
293.08356	2.2
293.12283	6.4
319.98929	1.8
336.10886	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	335.2228
Annotation	2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid
Peak:m/z	Relative Intensity
57.03310	4.4
59.01242	4.6
63.02280	1.9
69.03327	3.0
70.80058	2.7
70.80412	3.7
71.01221	2.6
71.04893	52.0
72.01265	1.9
73.02825	2.7
81.03363	2.1
83.04893	7.1
83.72105	1.5
84.05313	1.7
85.06443	2.4
87.04417	2.3
92.39619	1.6
95.04903	5.8
96.95923	2.2
97.06458	3.7
98.19857	1.8
107.04914	2.3
111.08065	2.3
119.01286	1.8
121.06480	3.7
123.08042	37.0
124.58236	1.9
125.09661	3.1
133.02818	1.8
133.60330	1.7
135.04356	2.6
135.08051	7.7
135.11681	3.5
137.09616	40.3
151.11151	10.1
153.12741	24.5
154.13100	1.7
154.81870	1.5
161.02316	2.4
163.11182	4.6
174.03127	1.9
191.14302	4.7
193.15903	12.0
205.15919	70.2
206.16277	5.2
209.15439	3.3
215.86768	1.6
233.05298	2.1
255.06618	30.1
256.06989	2.7
257.19089	2.7
261.22226	7.0
273.22241	32.1
274.22644	3.5
289.21884	2.6
291.23306	100.0
292.23608	12.4
335.02136	2.5
335.18884	3.4
335.22253	96.7
336.08963	2.3
336.22528	11.6
342.10934	1.8
345.35379	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	336.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.7
69.18069	0.6
69.18487	1.7
71.01241	0.8
72.99190	0.4
78.91761	1.9
86.75343	0.2
88.10364	0.2
90.79980	0.2
113.02320	0.2
117.14928	0.2
119.04932	0.3
131.04892	0.3
135.02928	0.2
135.04407	0.3
143.03404	0.3
145.02846	4.5
145.03926	0.3
146.03253	0.2
149.06017	0.3
158.03636	0.6
161.04471	0.4
163.03951	0.4
173.02354	29.7
174.03131	100.0
175.03548	5.9
187.03969	0.3
188.08620	0.2
194.94388	0.3
216.97842	0.2
284.44916	0.2
286.53357	0.2
301.82336	0.2
318.86029	0.5
336.08664	1.0
336.87097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
55.01746	0.3
55.22981	0.3
57.03326	0.4
58.37797	0.2
59.01251	2.0
68.99682	0.3
70.64296	0.3
71.01239	2.3
71.05045	0.5
71.40211	0.3
73.02816	2.5
79.67444	0.3
81.03309	0.8
83.01255	1.2
83.04892	1.6
85.02833	1.2
87.00734	0.3
89.02335	0.5
91.05453	0.3
93.03334	13.0
94.03651	0.5
95.01287	0.5
99.00751	1.4
99.04395	0.6
101.02314	2.7
105.03377	0.4
107.04906	1.5
109.02850	1.3
111.00745	0.6
111.04408	3.5
111.08051	0.7
111.29079	0.3
113.02322	0.8
117.03333	0.7
125.02312	0.7
130.06505	1.9
132.02066	0.3
133.02841	8.5
134.03658	5.2
135.04410	100.0
136.04745	4.1
137.02336	6.4
137.74983	0.3
138.02676	0.4
139.00151	0.3
145.02791	0.3
147.04482	0.3
149.05978	0.4
149.11989	0.3
155.03384	2.4
158.03653	0.9
159.03040	0.5
159.04446	1.2
161.02347	24.6
161.05934	2.4
162.02681	1.3
173.02435	0.4
173.04442	1.6
173.08104	1.0
174.03125	0.6
175.02449	0.3
175.03941	0.4
177.01918	0.4
179.03413	91.0
180.03740	4.2
189.01779	0.6
189.05502	0.7
191.03412	0.5
193.01361	0.4
193.05017	0.3
200.07155	0.6
201.05574	0.5
203.06975	0.7
205.01431	0.4
217.05011	0.6
231.06732	0.5
245.04553	3.2
247.02426	0.6
256.10281	0.4
261.00415	1.0
276.02740	2.0
289.85306	0.3
291.04968	0.4
291.08725	0.6
292.11868	3.1
295.96445	0.3
335.07709	32.0
335.20801	0.9
336.07925	2.4
336.10880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14374	0.9
53.43566	0.7
57.03328	5.6
59.01250	2.6
63.02266	4.8
65.00186	7.7
67.01775	2.1
69.63770	0.8
71.01249	3.1
71.21384	1.4
72.99165	1.3
73.02818	1.4
81.03318	1.7
81.23270	0.8
83.01252	7.6
83.04891	0.9
85.02817	1.2
87.04385	2.5
93.03326	4.3
93.29365	0.9
95.01257	2.7
99.00810	0.7
101.02319	2.4
107.01265	6.7
107.04900	2.7
109.02839	6.7
109.06467	1.5
113.02370	1.6
117.03354	2.5
121.02847	0.9
123.04350	1.4
124.01579	1.3
125.02332	30.5
127.07560	6.0
131.04927	3.4
133.02856	2.8
135.04408	9.3
137.02354	7.5
139.05438	1.1
143.04926	1.8
145.06444	2.1
145.81319	0.9
147.04399	1.4
149.05943	1.2
151.00293	12.3
151.03929	1.7
153.01808	1.2
154.52470	1.0
155.04883	1.8
157.06506	0.9
159.04477	5.7
161.02356	3.0
163.00230	4.1
165.01791	3.0
171.04469	2.9
171.06540	3.1
173.06033	2.6
175.03929	7.0
177.01846	3.3
177.05455	3.8
178.99777	1.5
179.03430	2.5
183.04471	3.0
185.11739	2.4
187.03883	1.4
189.05487	3.5
191.03493	1.6
199.03903	3.6
201.05547	2.3
203.03484	5.6
214.02756	2.3
215.03470	5.9
215.09138	1.4
217.05006	6.0
219.02902	1.4
227.03496	6.1
229.01189	0.9
230.02187	1.3
243.03035	6.7
245.04504	3.6
271.02448	5.0
289.03537	100.0
290.03973	6.6
333.02484	5.1
333.06049	1.6
333.11737	2.2
333.18985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01219	0.4
63.64482	0.4
69.03320	2.3
69.48473	2.7
71.01249	1.2
73.02811	0.5
77.66302	0.4
78.03349	0.4
80.04931	0.6
92.04958	2.1
94.02853	0.4
94.06496	4.4
97.02846	0.4
99.00771	0.8
101.02358	0.9
104.04938	2.4
105.03321	2.4
106.06503	12.7
107.03703	0.5
108.04437	2.1
113.02324	0.6
120.04446	5.0
121.05193	1.3
122.05138	0.9
122.06000	14.8
123.03140	2.0
123.06286	0.4
124.07560	0.9
131.03650	0.6
132.04445	7.2
133.04704	0.6
135.03148	0.5
136.03896	0.6
138.05502	22.0
139.05803	1.0
148.03949	0.7
148.05174	0.5
149.75955	0.5
150.05507	2.8
152.01151	0.4
159.06778	0.4
166.04980	0.8
168.06718	0.4
174.12761	0.7
183.59749	0.4
184.11229	0.7
185.00778	0.5
189.07874	1.6
212.09456	0.6
213.06644	0.7
215.11812	1.5
217.07394	2.0
218.11723	0.4
226.07498	0.4
229.09758	0.9
230.99269	0.6
231.09032	0.5
231.11276	0.6
232.19594	0.4
241.09792	3.2
243.11348	1.6
259.10745	0.5
261.00192	0.5
271.10822	1.2
286.98389	0.9
289.11920	100.0
290.12244	8.9
314.97693	2.6
333.04593	0.4
333.10800	6.7
333.14331	0.7
334.11224	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	333.025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.4
60.53625	4.0
63.02279	9.5
64.83767	3.8
65.00198	12.6
65.33530	3.9
69.26823	28.6
69.27225	8.0
69.75262	4.6
69.85368	4.4
71.01240	5.2
73.02812	7.5
83.01255	12.3
85.02803	7.2
87.04385	4.3
91.01761	4.9
95.01251	9.3
95.04908	3.9
96.95898	4.4
97.02880	3.8
99.00768	7.8
101.77981	4.9
105.03357	10.2
107.01273	19.2
109.02843	29.8
109.99968	4.5
111.00758	15.5
117.03349	7.5
119.01237	4.3
119.04901	4.6
121.02876	6.5
122.40091	4.1
123.00719	21.4
125.02326	28.4
131.01334	6.2
131.04022	5.2
131.04985	5.3
133.02847	45.4
135.00679	4.6
135.04396	3.7
136.98705	5.8
137.02344	11.7
139.00282	29.1
141.01805	20.5
145.02853	12.8
147.00830	9.9
147.04457	3.7
149.02370	16.6
151.00256	53.0
153.01811	35.2
154.99773	6.7
159.00774	11.6
161.02379	39.4
163.00253	20.5
164.01096	5.5
165.01834	5.7
166.99763	19.4
168.00566	14.6
169.01364	20.5
173.02359	4.7
175.00339	7.7
175.03909	7.6
177.01886	26.3
178.99770	69.2
185.11801	9.9
187.00288	25.3
187.03880	5.4
189.01843	28.0
190.99773	14.8
192.00484	9.9
193.01355	16.6
194.99271	14.7
197.00883	9.3
199.03877	5.6
201.01862	5.2
202.99796	9.3
203.03398	6.9
205.01352	28.2
206.99335	10.2
207.99998	4.8
209.00699	6.8
213.01639	4.8
214.99785	53.0
215.03459	11.4
217.01326	19.6
217.04927	6.8
222.98744	25.1
223.99673	5.7
224.91980	3.8
230.99316	27.4
233.00890	27.0
233.04526	12.4
242.99394	10.9
243.02980	13.0
245.00841	14.1
246.98817	4.8
247.02501	6.0
247.99533	11.6
249.00168	6.6
259.02448	14.5
261.00397	73.9
261.03555	7.2
262.00592	5.8
270.98914	24.9
271.02423	14.8
271.99295	4.4
275.99158	22.9
276.99893	12.1
286.98340	77.3
287.01917	27.5
287.98862	5.3
288.99905	28.2
289.03537	10.9
301.77527	5.4
305.02936	5.7
314.97803	100.0
315.01465	41.9
315.98215	7.6
332.98782	55.4
333.02539	68.2
333.13879	5.3
334.02747	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	332.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09649	29.8
59.01251	59.8
60.75771	36.6
65.75906	32.4
71.50810	35.9
89.63550	34.0
137.79395	33.5
149.23825	32.0
163.50703	35.8
186.74377	32.0
194.80014	34.4
314.97833	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	332.9887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.4
63.02273	6.0
64.29816	3.6
64.99895	3.2
65.00185	19.7
67.01754	3.7
71.01253	9.2
71.50844	3.8
83.01264	14.9
85.02860	3.9
87.04380	4.9
93.03323	5.0
95.01269	12.7
99.00751	10.4
105.03352	5.8
107.01270	21.7
108.02140	3.8
109.02832	37.5
110.00026	3.5
111.00786	19.3
117.03337	8.2
119.01258	6.3
121.02846	11.4
123.00781	21.2
123.04412	4.3
125.02327	35.7
131.01260	7.5
133.02863	42.3
135.00787	8.0
136.98734	6.4
137.02353	12.2
139.00284	31.3
139.03941	3.6
141.01823	22.1
143.04903	4.3
145.02861	12.0
147.00809	8.4
147.04344	4.6
149.02374	17.9
149.99529	5.1
151.00278	53.3
151.82115	4.0
152.00990	3.5
153.01826	32.1
154.99741	4.0
159.00839	10.3
159.04449	7.2
161.02348	37.4
163.00273	19.3
163.03828	3.7
164.01076	5.0
165.01851	6.2
166.99765	24.9
168.00583	21.3
169.01373	17.7
171.00812	8.0
173.02313	7.1
175.00288	11.7
175.03900	7.6
176.01100	6.3
177.01851	34.8
178.99776	70.0
185.11722	13.5
187.00314	30.7
187.03967	8.1
189.01891	26.3
190.99785	11.1
192.00526	8.2
193.01350	12.5
194.99277	11.1
195.06512	5.2
197.00822	9.0
199.03966	7.2
201.01843	8.2
202.99791	10.7
203.03407	4.0
204.97664	3.7
205.01344	20.2
206.95915	3.9
206.99312	12.1
209.00859	5.3
214.99789	50.1
215.03455	8.7
216.00240	4.7
217.01366	27.3
217.04964	7.8
219.02985	4.1
222.98755	25.7
223.99559	4.3
227.03497	4.4
230.99300	23.8
231.02986	4.1
231.99979	6.0
233.00879	19.2
233.04469	12.2
242.99368	19.0
243.02939	12.5
243.99904	3.7
245.00923	21.0
245.04535	6.3
247.02440	6.2
247.99675	19.7
258.98880	5.2
259.99606	4.4
261.00381	82.1
261.03555	5.8
262.00839	5.5
270.98828	21.6
271.02444	11.4
275.99146	22.0
276.99899	12.8
286.98318	81.0
287.01901	24.7
287.98907	8.7
288.99881	32.2
289.03076	5.9
305.03049	7.2
314.97818	100.0
315.01489	29.9
315.98224	11.1
332.98770	42.4
333.02545	54.9
334.02881	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	331.176
Annotation	Rosiridin
Peak:m/z	Relative Intensity
52.71427	0.7
55.01759	5.8
57.03318	3.7
58.00475	3.9
59.01249	78.4
60.01577	1.0
65.46098	0.7
69.27711	6.7
71.01252	100.0
71.04897	2.0
72.01598	2.1
72.99179	4.2
73.02815	24.5
75.00748	1.0
81.03320	0.8
83.01260	11.3
85.02824	39.4
86.03157	1.2
87.00740	4.5
89.02316	41.6
91.95290	0.6
95.01263	6.9
97.02817	2.1
99.00748	8.8
100.17195	0.6
101.02319	66.2
102.02671	1.7
109.02820	1.7
110.39224	0.7
113.02330	37.9
114.02698	0.8
114.99664	0.7
119.03386	17.4
125.02349	2.8
129.01840	1.4
131.03423	1.1
137.02339	2.4
143.03413	4.5
159.02873	4.9
161.04463	27.1
165.01820	2.2
168.00531	0.8
169.01309	1.6
169.12245	2.3
179.05524	2.3
193.01237	1.1
201.09464	1.5
205.03439	1.3
211.02388	2.0
243.02888	0.9
270.01877	0.7
271.04669	3.5
287.01868	1.2
288.02328	2.0
316.01764	3.3
318.08661	0.7
331.04248	6.1
331.17725	6.0
331.25180	0.8
332.05014	0.7
332.17850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.17501	0.7
51.80490	0.6
55.01758	5.6
57.03330	4.7
58.00464	2.5
58.06359	0.6
58.13219	0.6
59.01249	67.6
60.99158	0.6
65.00182	1.0
71.01252	100.0
72.01569	1.1
72.99180	5.9
73.02820	22.6
75.00755	1.9
83.01257	9.2
84.02048	0.6
85.02820	37.2
85.99950	0.7
87.00750	4.0
89.02314	41.1
90.02607	0.7
95.01257	6.4
97.02838	1.9
99.00753	9.2
101.02322	58.0
102.02679	1.9
110.00008	1.1
111.00775	2.4
113.02327	37.4
114.02668	1.2
119.03386	15.3
123.00755	3.2
125.02328	3.8
129.01765	1.2
131.03429	2.1
139.00285	2.1
139.11092	0.7
143.03416	4.6
147.02908	2.6
151.00262	2.4
153.01831	1.4
159.02914	7.3
161.04459	29.5
162.04829	0.9
165.01848	0.9
166.99751	0.7
168.04152	0.6
169.01363	2.8
175.00305	0.8
175.04002	0.6
178.99731	3.0
179.05533	1.8
183.10187	5.8
187.04204	0.6
190.99675	0.8
199.94533	0.6
201.09503	1.2
202.99796	0.8
205.03487	1.4
211.02522	1.2
215.03531	0.9
222.13846	0.8
230.99300	1.0
231.03065	0.9
259.02502	1.9
271.04639	2.8
287.01990	1.2
303.01523	1.7
330.97452	1.4
331.00970	2.1
331.13727	1.1
331.17615	19.2
331.21387	1.4
332.01605	1.2
332.18039	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.1
57.03323	5.8
58.00454	3.0
59.01248	63.3
62.96432	0.9
63.02261	1.0
65.00195	2.1
67.01726	0.9
68.99709	1.3
69.03319	2.0
71.01250	100.0
72.01602	1.1
72.98821	1.0
72.99177	5.8
73.02816	18.9
73.39136	0.9
75.00755	1.8
81.03327	1.4
83.01246	13.5
83.04884	2.1
85.02820	35.5
87.00756	4.4
89.01755	1.9
89.02313	36.2
93.03316	1.3
95.01254	9.6
97.02823	2.9
99.00755	10.6
101.02319	60.1
102.02655	0.9
106.25223	0.9
107.01282	2.2
109.02827	1.5
110.00014	1.5
111.00748	2.6
113.02327	38.4
115.03880	1.2
119.03383	15.9
121.02794	1.6
123.00768	4.1
125.02332	11.0
125.05970	1.1
129.01807	1.7
131.03351	1.3
135.04414	1.3
136.98637	1.2
139.00287	3.8
140.01044	1.1
143.03415	4.4
147.02936	1.9
147.04341	1.2
151.00252	6.3
153.01866	2.1
159.02901	6.3
159.04041	0.9
160.01547	1.6
161.04463	34.9
161.28221	0.8
163.00270	2.0
163.03894	0.9
165.98990	2.5
166.99738	3.3
168.00546	2.5
169.01317	6.8
175.03847	1.3
178.99742	4.7
179.05444	2.1
183.04570	1.0
183.10223	7.0
187.03944	1.3
188.00989	1.6
190.99809	3.7
193.98466	1.9
194.99284	2.8
199.03888	1.1
201.09402	2.1
203.03389	1.4
205.03406	2.1
206.99280	1.4
209.08064	1.1
211.02414	9.9
214.99870	1.0
216.00529	2.4
217.01189	1.5
229.01379	1.2
230.99280	1.7
231.99896	1.0
244.00029	3.0
259.02417	3.2
270.98892	1.0
271.01999	1.0
271.04639	14.5
271.99640	6.7
272.04550	0.9
275.01920	1.3
285.00589	1.3
287.02048	5.1
287.09238	1.7
298.98291	2.4
299.99011	7.6
300.99655	1.6
303.01361	1.6
306.21790	0.9
312.99960	2.1
313.03534	5.5
315.98492	11.4
316.98840	1.4
330.97263	1.2
331.00842	10.6
331.04608	7.6
331.08185	1.5
331.11880	1.8
331.17697	18.1
332.18082	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	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21773	0.6
57.03297	2.4
58.88288	0.7
59.01240	3.2
68.05819	0.6
68.73770	0.7
68.99688	1.5
69.25883	5.1
69.26292	1.6
70.91175	0.7
71.01252	14.2
72.99190	0.9
73.02805	0.7
83.01251	1.0
83.14468	0.7
85.02835	0.8
87.00758	1.1
89.02311	2.8
96.99181	0.9
98.19746	1.6
99.00757	16.9
101.02312	8.9
117.01791	0.9
119.03330	1.6
123.08021	1.8
125.02332	1.5
125.05975	16.9
130.08635	1.6
147.02888	61.0
148.03271	1.7
162.63058	0.7
169.01373	1.6
183.10181	100.0
184.10475	5.8
188.52299	0.7
201.09451	1.8
211.02426	1.7
271.04645	1.8
331.05051	0.9
331.14029	13.2
331.17883	1.8
332.14304	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	7.0
57.03311	5.4
58.00459	5.0
59.01250	95.4
65.00193	8.2
69.03298	1.3
71.01253	100.0
71.51678	1.9
72.99190	8.1
73.02811	20.3
83.01252	12.4
85.02824	40.4
87.00770	6.3
89.00201	2.0
89.02317	47.4
91.01762	1.3
93.03310	4.1
95.01253	10.3
97.02826	5.7
98.70129	1.2
99.00760	7.4
101.02325	59.5
107.01261	1.3
109.02839	21.5
109.99979	8.2
110.98991	2.9
111.00765	3.5
113.02329	41.1
119.03393	19.9
121.02835	10.0
123.00778	7.4
123.99764	2.5
124.01581	3.3
124.87666	1.1
125.02361	8.6
128.54456	1.2
129.01846	1.8
131.03372	3.3
136.01550	1.1
137.02350	42.7
137.99463	1.9
138.02673	3.4
139.00226	4.5
139.03934	6.1
140.01057	1.4
143.03435	2.4
146.03763	1.3
147.00764	5.7
149.02371	7.2
149.74135	1.1
149.99484	2.4
151.00230	2.2
151.03894	1.8
151.11185	1.6
151.99261	3.6
153.01842	8.5
155.03357	1.7
158.03520	1.3
159.02881	4.5
161.04468	18.5
163.00272	5.0
164.01045	11.8
164.98106	1.3
165.01840	35.7
165.99017	13.8
166.02182	3.7
166.99649	1.4
167.03375	1.5
168.00546	2.3
169.01295	3.8
175.00301	15.2
176.00746	2.2
177.01799	2.6
178.99777	3.7
179.05475	1.6
181.01389	9.0
190.99763	1.6
192.00528	6.4
193.01343	12.4
198.03096	2.5
199.03969	2.4
207.03053	8.8
209.00816	2.4
211.02390	6.8
214.02579	1.9
216.03978	1.3
221.00839	1.7
221.06433	2.1
226.02754	2.6
227.03374	1.6
242.02139	4.3
243.02769	3.4
243.04848	8.5
244.03618	1.6
254.02271	1.6
255.03130	1.7
270.01608	3.6
271.02075	8.0
271.05066	7.2
272.02835	4.4
285.04095	3.0
287.02008	3.3
287.05423	1.8
288.02405	3.3
298.01266	2.0
299.01913	9.9
300.02542	2.7
303.04660	1.6
313.03452	9.8
316.02164	15.6
317.02521	2.6
331.04501	64.6
331.17554	2.5
331.24747	2.4
332.04907	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	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11485	0.7
55.01767	1.8
56.47422	0.6
57.03316	1.6
58.00461	1.2
59.00955	1.3
59.01252	23.2
60.37708	0.7
68.16374	0.7
68.99699	1.9
69.03339	1.2
70.90797	1.0
70.91140	1.3
71.01254	39.8
71.04884	1.1
72.99181	2.4
73.02825	5.8
78.20800	0.6
83.01266	2.9
85.02827	8.9
85.06461	23.4
87.00750	2.4
89.02314	15.2
95.01263	2.7
96.95930	0.8
97.02833	14.3
97.03469	0.9
99.00762	12.2
101.02328	20.2
102.02716	0.8
106.02543	0.7
109.02842	1.2
110.00017	1.0
113.02335	11.4
119.03391	6.6
121.02800	0.7
121.10093	3.4
122.75744	0.7
125.02335	7.4
130.08684	0.8
136.11203	0.7
139.00197	0.9
139.11145	2.4
140.00967	0.8
143.03419	1.8
147.02898	34.6
148.03230	0.8
151.00290	1.6
153.01823	4.2
159.02913	1.7
161.04457	6.3
161.05576	0.9
165.09138	0.8
168.00526	1.8
168.04169	1.9
169.01364	7.4
178.99757	0.8
179.03416	0.9
183.10199	100.0
184.10587	4.9
201.09483	11.7
203.03406	1.0
211.02409	6.1
230.99400	1.3
259.02454	3.6
271.04578	11.1
275.49796	0.8
286.98648	1.0
287.01791	1.4
289.11139	1.4
315.98550	1.2
316.02057	1.1
330.97430	1.0
331.00912	1.7
331.07571	1.4
331.14261	8.1
331.17770	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	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01263	1.3
60.42007	1.1
65.91831	1.3
70.78574	2.2
71.01223	2.2
77.17589	1.3
85.02814	2.7
96.49012	1.2
101.02290	1.6
109.99971	7.6
113.02328	3.5
120.72575	1.2
125.02338	5.7
137.99467	10.5
139.00291	2.7
152.01006	2.1
153.01834	100.0
154.02446	5.3
155.03441	2.9
166.02631	1.3
167.03426	15.5
168.04196	69.2
169.01335	1.9
169.04974	10.8
209.04338	2.2
222.57722	1.2
239.05376	1.6
250.85155	1.1
286.21796	1.5
331.10388	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	331.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72066	1.2
57.03317	4.3
59.01253	8.2
69.03324	11.3
71.01251	23.6
71.04931	2.4
85.02863	2.3
89.02314	10.3
89.09856	1.4
97.06492	1.4
99.00756	26.1
101.02332	19.5
111.08022	3.0
113.02341	3.7
115.00169	1.4
119.03409	4.2
139.00246	4.1
139.11185	18.3
147.02899	100.0
148.03191	1.4
151.00246	3.3
161.04465	2.6
163.00284	1.4
169.01268	2.0
178.99757	4.3
183.10190	98.3
184.10548	5.6
190.99905	1.7
193.98480	2.3
194.99258	2.2
233.86803	1.6
257.00797	1.8
259.02505	2.0
270.00015	1.5
271.04523	5.7
287.02182	1.6
303.01685	2.5
330.97269	1.9
331.00906	5.4
331.14050	18.1
332.14117	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47142	1.5
54.69313	1.4
59.01239	6.8
61.83873	1.4
69.26797	7.5
69.27229	6.8
70.17606	1.4
71.01251	26.6
74.87072	1.6
85.02834	2.8
86.31245	1.7
89.02284	2.0
91.01774	4.7
93.03367	1.9
101.02295	4.0
107.04912	8.1
113.02289	3.7
119.01268	4.0
125.02314	3.4
130.04123	1.6
135.04388	2.7
153.01816	4.8
153.17897	1.7
161.02316	8.7
161.04514	1.5
163.00269	62.3
164.00589	1.6
168.00539	1.8
168.04071	1.6
169.01318	4.9
169.06445	2.1
182.03632	5.6
183.04364	2.5
187.00333	2.3
187.03906	2.9
189.01840	32.9
195.04448	1.8
196.05176	6.9
198.03210	3.4
199.03931	5.3
199.07491	2.8
200.04608	4.1
209.06041	18.1
211.02188	10.1
211.03960	5.4
211.07567	30.7
212.04675	6.4
213.05510	2.0
214.02483	2.0
215.03438	4.6
215.07027	4.2
216.03871	1.7
224.04709	2.7
225.05502	6.5
226.02650	26.5
227.03448	20.2
227.07030	15.9
228.04233	8.2
229.05096	4.0
237.05510	14.0
239.03416	2.2
239.75047	1.7
240.04218	29.7
242.02107	7.3
242.05908	3.0
243.06631	15.5
253.05013	11.8
254.05760	6.5
255.06590	50.4
256.03894	2.4
256.06876	3.9
263.03406	4.1
271.04443	7.8
271.06253	6.1
281.04413	5.5
298.04718	1.8
299.05591	100.0
300.05872	8.7
307.02237	1.7
331.08151	6.2
331.15350	3.9
331.19052	2.8
331.24545	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	331.0825
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
55.01706	1.0
57.01074	0.7
58.00426	0.8
59.01188	8.8
59.01506	1.7
68.71720	0.8
69.03249	1.1
69.36985	6.6
71.01250	12.0
71.25874	0.8
72.99178	27.4
72.99554	1.3
73.02758	2.6
83.01208	1.2
85.02766	3.1
89.02237	3.4
93.03326	6.0
95.01202	1.4
99.00707	0.8
101.02319	5.9
105.37627	0.8
107.01241	1.7
107.04913	4.8
109.99955	0.8
110.66552	0.7
111.00694	1.3
113.02322	3.8
119.03339	1.0
119.30585	0.8
121.02820	1.9
123.00703	2.3
124.01556	0.8
125.02329	9.0
135.04408	0.8
137.02339	0.8
139.00175	2.5
140.00989	1.4
147.00888	0.7
151.00198	1.8
161.02379	0.8
161.04449	4.3
165.01727	0.7
166.99730	1.2
168.00581	3.7
169.01334	10.2
178.99780	1.8
181.05084	0.6
181.06503	5.0
183.10104	1.5
188.01012	0.9
190.99634	1.2
195.08029	2.8
197.05943	3.4
199.07562	11.2
200.01056	1.3
201.09479	1.9
206.99232	0.8
207.08093	38.6
208.08389	3.1
211.02422	14.3
211.07584	2.0
212.08397	3.9
213.09073	5.3
216.00606	1.4
220.46747	0.8
223.07611	11.9
225.09155	77.0
226.09454	4.6
230.99333	1.6
231.99947	1.3
239.06917	1.4
240.07823	2.6
241.08653	25.4
242.08855	1.5
244.00066	1.6
244.07300	3.8
251.07137	5.4
259.02637	0.9
259.99173	0.9
269.08179	35.2
269.98111	1.2
270.08521	2.1
270.98755	2.1
271.04562	26.3
271.99451	3.6
272.04996	1.7
275.52338	0.8
285.00381	1.1
287.02164	2.6
287.09241	100.0
288.09521	7.7
298.98392	1.3
299.99066	7.7
300.99704	1.3
312.99796	1.2
313.07202	2.2
315.98541	14.3
316.09525	1.4
331.01031	10.9
331.08224	63.1
332.01340	1.3
332.08539	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.08938	1.4
64.75113	1.1
69.03316	2.6
69.99023	2.6
69.99448	4.9
71.01248	1.7
79.79469	1.1
83.01264	2.0
97.02838	2.6
123.00761	2.7
124.01569	11.0
125.02338	63.2
125.03259	3.1
126.02648	1.7
129.12685	1.2
134.32854	1.3
137.02264	1.4
149.99487	23.9
151.00119	1.9
153.01833	6.4
154.70427	1.5
165.01840	1.3
167.03424	2.4
168.00554	66.9
169.01343	19.3
241.03494	1.8
313.05670	8.9
331.06696	100.0
332.07025	6.1
342.61224	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.57576	0.8
59.01245	2.9
61.38184	0.7
61.59867	0.7
62.30383	0.7
65.00198	1.4
66.06378	0.7
66.90702	0.7
69.03320	2.6
69.72977	1.2
69.73406	3.4
71.01241	1.4
72.99146	0.7
75.58974	0.7
79.01735	0.9
81.03316	1.0
81.30477	0.8
83.01258	4.6
95.01288	0.9
97.02836	3.1
107.01272	4.7
109.02917	0.9
111.00714	0.8
113.02321	0.8
121.86717	0.7
123.00732	3.7
124.01548	14.6
125.02334	73.5
126.02666	1.7
139.03938	1.4
140.01044	0.9
149.99483	23.6
151.00273	17.5
151.01512	1.0
165.01758	1.0
167.03447	1.3
168.00548	49.3
169.01331	41.1
170.01729	1.4
175.00264	1.9
183.02832	0.9
193.01349	2.2
211.02400	7.0
223.69296	0.8
271.04620	8.0
302.32407	0.9
313.05621	5.7
331.06680	100.0
332.06967	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	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86965	1.2
57.03312	1.9
59.01251	9.1
65.00178	2.5
69.03321	1.2
70.78338	3.5
71.01254	4.7
72.99168	1.3
77.01125	1.2
78.80107	1.3
81.03289	1.2
83.01250	6.2
89.02295	2.5
97.02834	1.8
101.02335	1.7
104.56466	1.4
107.01264	10.0
113.02318	1.4
121.94267	1.2
123.00776	4.3
124.01570	5.2
125.02332	56.9
125.03260	2.8
126.02666	1.7
136.98758	2.4
138.08766	1.1
139.00221	3.9
139.03908	1.1
140.01038	5.2
150.05438	1.2
151.00288	17.7
151.05830	2.2
151.11452	1.2
153.01831	4.0
154.87381	1.2
155.03271	1.3
159.93285	1.2
167.03433	2.5
168.00551	17.9
168.04256	1.3
169.01332	59.5
170.01669	1.5
171.53377	1.2
175.00294	1.9
193.01390	1.9
211.02417	40.1
212.02740	2.0
238.17709	1.3
239.18111	1.2
241.03506	2.7
271.04568	100.0
272.04987	4.9
320.12039	1.3
331.06686	64.4
332.06921	2.9
351.39462	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	331.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46383	1.3
59.01245	3.2
61.95176	1.2
62.04445	1.2
65.00188	10.1
69.24978	12.6
71.01249	4.4
73.02824	1.5
83.01361	1.1
85.02818	1.3
89.00180	3.0
89.02293	1.7
91.01763	3.3
93.03326	6.4
95.01251	3.3
97.02821	7.4
97.19297	1.2
101.02336	2.7
102.81965	1.3
107.01282	3.5
108.02074	2.5
109.02831	30.5
109.99990	10.1
111.00750	1.8
113.02318	2.9
118.48096	1.2
119.07262	1.3
121.02851	12.3
123.00774	10.8
123.04398	3.2
124.01547	3.6
125.02308	4.3
125.41618	1.5
132.75819	1.2
135.00771	1.8
136.01642	1.6
137.02339	62.8
137.99498	5.6
138.02698	2.3
139.00273	4.4
139.03909	11.1
147.00775	7.7
148.01526	1.6
149.02339	6.8
149.99478	4.6
151.00294	5.2
151.03938	2.8
153.01849	13.5
154.02235	1.4
161.02257	1.3
161.04533	1.8
163.00267	7.1
164.01045	14.1
165.01833	61.0
165.98978	20.0
166.02170	2.8
166.99712	3.2
171.04411	2.2
175.00272	22.3
176.00960	2.7
177.01805	4.5
177.98950	1.3
178.99771	3.5
181.01320	10.2
185.17073	1.3
187.03967	1.4
190.99815	1.7
192.00540	9.5
193.01347	19.5
194.01643	2.2
198.03178	2.9
199.03902	2.7
207.02907	9.0
209.00795	5.3
211.02353	2.3
214.02637	4.4
215.03256	2.6
221.00905	2.0
226.02631	5.2
227.03291	3.1
241.01421	2.3
242.02109	6.6
243.02840	6.0
244.03458	2.2
245.01035	1.7
254.02153	4.6
255.02824	3.4
255.12852	1.3
257.04385	1.9
269.04578	3.3
270.01685	6.9
271.02356	19.7
272.02936	7.2
284.03299	1.8
285.04062	4.2
286.04175	2.0
287.01965	8.0
287.05411	3.8
288.02536	7.0
298.00748	1.8
299.01904	13.9
300.02655	4.2
303.04712	2.1
313.03519	17.1
314.04031	3.5
316.02109	21.4
331.04498	100.0
332.04883	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	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.43398	2.7
58.70752	2.7
59.01257	23.7
64.00315	3.1
65.38382	3.3
71.01247	9.9
71.49988	3.2
85.02814	5.0
87.00764	19.5
89.02317	4.6
101.02290	4.2
107.01217	4.2
113.02328	6.5
122.06001	36.9
123.00759	4.9
125.02332	25.4
134.05923	4.1
136.07559	19.9
140.01013	4.3
150.05513	100.0
151.00259	6.5
151.03891	3.2
151.05766	3.8
152.07043	9.0
153.01788	3.9
161.04765	2.8
162.05533	4.1
164.07065	5.0
168.00542	5.9
169.01340	33.3
176.07022	7.5
193.01254	3.6
211.02388	14.5
222.07645	7.6
271.04633	12.3
277.85037	2.9
307.77594	3.2
312.10898	72.0
313.11212	6.6
330.05734	4.6
330.11859	43.5
331.06659	78.4
338.57690	3.1
344.56390	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.8
59.01249	100.0
59.99607	0.8
60.01590	1.4
66.31202	0.7
68.48354	0.7
69.35936	6.7
71.00913	0.8
71.01243	4.1
72.99216	0.8
73.02825	0.8
73.80669	0.8
75.00775	1.0
83.01270	1.3
85.02829	1.5
87.00749	0.8
89.02293	1.0
98.19811	1.5
101.02315	3.8
106.23486	0.7
109.02856	0.8
113.02341	2.7
123.04438	2.5
125.02391	1.6
135.98296	1.1
154.82463	0.7
161.04547	2.5
163.00282	0.8
167.03441	6.4
169.01334	1.2
269.10397	4.5
329.06473	0.8
329.12650	1.6
339.94778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1757
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.46189	0.3
55.19127	0.3
59.01247	1.9
59.23144	0.3
66.54715	0.3
69.15730	3.6
93.03312	0.8
95.04852	0.3
96.24329	0.3
107.04889	0.4
108.02044	1.8
109.02898	0.6
119.04060	0.6
119.04901	8.9
121.02834	7.7
121.06472	0.3
122.03626	5.9
124.01554	0.7
132.35619	0.3
135.04407	33.7
136.04730	1.8
137.02327	1.4
137.05991	0.4
148.30919	0.3
149.05948	1.0
154.02565	0.7
191.10780	0.4
193.08659	5.0
201.94908	0.3
207.10199	1.2
245.44165	0.3
258.30368	0.3
314.15121	3.4
315.15756	0.6
321.40448	0.4
329.17545	100.0
330.17889	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	329.2331
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03312	1.2
58.93298	0.3
59.01257	0.7
69.03322	0.6
71.04887	0.5
79.30555	0.3
84.02026	0.5
85.61337	0.4
86.65687	0.3
99.08028	6.6
108.01140	0.3
125.09603	1.3
127.11166	3.2
130.17529	0.3
139.11160	2.3
155.10780	0.5
155.14320	0.5
161.40955	0.3
165.12683	0.7
167.14296	1.4
171.10176	8.0
171.11636	0.4
183.13812	6.1
193.12260	2.2
209.11761	1.5
211.13336	33.8
212.13669	2.0
212.97714	0.3
224.45212	0.3
229.14398	18.4
230.14717	0.6
293.21170	0.9
311.22198	1.0
329.23303	100.0
330.23636	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03300	0.9
58.67499	0.4
59.01236	1.7
69.69616	2.1
71.01247	0.5
74.75476	0.3
81.03328	3.8
83.01252	2.2
95.04895	0.8
107.01273	0.5
113.02328	0.6
123.04406	26.8
124.04729	0.8
125.02335	5.5
130.69482	0.3
139.03973	0.5
147.04419	0.7
148.04750	0.5
149.02357	1.2
151.00294	1.7
151.03775	0.4
163.03973	0.5
167.03404	100.0
168.03728	3.8
168.16881	0.3
184.01971	0.4
191.03412	0.5
209.04480	0.7
253.81215	0.3
269.71127	0.3
271.35269	0.4
276.45227	0.4
329.08551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.79220	0.3
57.03305	0.7
59.01251	7.8
61.36921	0.3
65.00195	0.6
67.01780	0.5
69.51269	0.6
69.51675	1.8
71.01239	1.6
73.02824	0.4
75.14868	0.3
81.03325	6.2
81.03774	0.5
83.01254	3.3
83.04913	0.4
85.02815	0.7
87.00756	0.3
93.03326	0.5
95.01251	0.7
95.04891	1.3
97.02824	0.8
99.04401	0.4
101.02325	1.1
107.01283	0.7
108.02030	0.6
109.02842	0.6
110.77339	0.3
121.02824	0.8
123.00791	0.7
123.04408	45.9
124.04735	1.5
125.02336	6.2
131.01334	0.5
135.00745	0.5
135.04384	1.7
137.02341	1.3
139.03897	1.1
147.02898	0.9
149.02342	1.7
151.00276	2.1
151.03905	1.7
161.04504	0.4
163.00256	2.3
163.03903	1.7
164.01007	1.5
165.01816	0.5
166.02612	0.9
167.03415	100.0
168.03757	3.8
169.01262	0.5
175.00294	1.5
179.03435	1.6
180.04201	0.5
181.05038	2.6
181.08612	3.2
191.03433	23.4
192.03777	1.4
197.57472	0.3
202.02669	0.4
209.04497	9.9
210.04710	0.5
221.04529	2.7
233.04468	0.6
258.01581	0.5
269.06711	0.5
276.85779	0.4
285.04178	0.4
286.01077	0.6
299.01920	0.4
301.03574	1.5
305.69376	0.4
322.14551	0.3
329.03046	1.3
329.08328	3.4
329.12109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
59.01248	1.9
63.02291	0.4
65.00216	0.3
86.71741	0.2
87.66328	0.2
107.01270	0.5
108.02070	0.3
109.02849	0.5
121.02801	0.4
124.67577	0.2
133.02840	0.6
135.04417	0.2
147.00777	0.7
148.01555	0.4
149.02324	0.4
151.00302	1.1
157.02783	0.3
163.00275	0.5
165.01799	0.3
171.04411	0.9
171.10138	0.3
173.02216	0.3
175.03940	0.8
183.04402	0.4
187.03879	0.8
189.01909	0.2
197.02426	0.5
199.03922	3.9
200.04312	0.3
201.01846	0.9
203.03436	0.5
214.02544	0.2
215.03419	2.6
216.03960	0.3
225.01837	0.2
226.02647	0.8
227.03447	4.6
229.01222	0.3
242.02101	0.5
243.02936	4.9
244.03241	0.2
254.02225	0.7
255.02928	1.0
257.04504	0.5
269.04465	1.5
270.01675	0.7
271.02460	69.6
272.02786	5.2
278.71786	0.2
282.01553	0.5
285.03979	2.1
286.04700	0.3
298.00873	0.3
299.01941	100.0
300.02289	8.3
314.04294	92.0
315.04639	7.5
315.07755	0.2
329.06647	50.7
329.23141	1.2
330.06967	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01169	2.2
61.55595	0.6
63.02266	0.6
65.00179	0.9
70.80298	1.3
96.95821	0.7
107.01212	0.7
123.58041	0.7
133.02751	2.0
135.00713	0.6
151.00160	1.9
163.00192	0.9
164.98106	0.7
171.04361	1.3
175.03816	1.1
183.04294	0.9
187.03810	1.7
196.31631	0.7
198.03215	0.6
199.03932	8.5
201.01900	3.4
203.03340	1.1
215.03436	5.2
225.01913	0.9
226.02675	1.1
227.03439	6.6
228.03589	0.9
229.01331	0.9
231.71114	0.7
242.02171	9.0
243.02953	37.1
244.03423	2.9
255.03029	2.8
257.04529	8.1
264.63477	0.5
270.01666	10.0
271.02469	72.6
272.02802	4.7
285.04013	16.1
286.04688	3.6
299.01956	85.7
300.02313	8.0
313.03500	1.8
314.04312	63.8
315.04700	4.9
329.06674	100.0
329.23401	3.3
329.26892	1.4
330.07040	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	329.03
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
56.11581	0.6
59.01262	2.9
67.92431	0.6
71.79691	0.6
85.02816	1.8
98.20581	1.4
129.72958	0.6
138.32083	0.6
150.98569	0.5
171.01013	0.7
174.03122	1.4
182.09389	0.6
186.03072	0.8
187.00166	1.2
188.00662	0.6
201.01932	0.6
202.02649	1.4
203.13644	0.6
214.99803	2.0
229.01308	0.8
230.02080	1.2
239.83388	0.6
242.02248	0.6
242.99306	9.4
256.98029	0.7
257.00934	0.7
258.01575	1.1
269.17569	5.9
270.98819	88.2
271.99203	5.2
282.98846	1.3
283.99515	1.6
285.00388	14.4
286.01056	4.9
287.01782	0.7
287.18692	3.9
298.98315	86.6
299.98676	5.9
310.98248	2.5
312.99881	37.2
314.00644	94.2
315.01062	5.1
329.02997	100.0
329.23169	0.9
330.03299	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	329.0304
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
56.97400	0.5
57.14185	0.6
59.01251	5.1
63.92162	0.5
71.01245	0.7
71.51736	0.8
85.02773	0.5
96.95889	5.0
120.01426	0.5
121.02843	1.0
125.09590	0.6
125.48383	0.6
131.77261	0.5
135.04410	1.3
143.04922	0.7
145.02827	0.7
149.02451	0.6
165.01843	0.5
167.03445	0.8
171.00783	0.6
187.00233	1.0
187.03847	0.6
188.04704	0.8
199.00287	0.6
199.04027	1.3
214.99808	1.5
215.03459	0.6
220.76552	0.5
226.99889	0.7
237.87083	0.5
242.99313	10.1
244.67279	0.5
269.08148	0.9
270.98837	84.8
271.02219	3.3
271.99219	5.1
272.02121	0.8
283.99451	1.2
285.00449	2.4
286.01147	0.9
298.98346	87.9
299.01776	4.8
299.98660	6.1
312.99792	3.6
314.00684	100.0
315.01083	7.7
315.04584	0.4
329.03018	66.8
329.06433	3.6
329.13968	2.2
329.17438	1.3
329.23227	3.9
330.03345	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.58052	0.5
57.01820	0.5
57.03311	2.2
59.01247	1.2
59.84660	0.5
64.92987	0.5
68.24548	0.5
69.03313	1.6
69.39622	3.1
69.40045	2.3
71.01237	0.7
71.04902	0.6
83.04887	1.0
84.86146	0.5
85.02828	7.2
97.06457	4.5
98.20627	1.1
119.08601	0.7
125.09599	1.7
127.11161	1.6
137.09583	1.2
138.93970	0.6
142.19788	0.6
153.63884	0.6
155.14323	1.4
165.12756	1.1
171.10165	12.4
172.10397	1.0
177.12672	0.8
183.13824	5.4
185.11729	1.5
193.12274	2.0
197.11700	0.7
199.13310	0.9
200.48819	0.6
203.10573	1.1
207.89474	0.7
209.11720	2.3
211.13324	25.1
212.13716	1.3
217.10059	0.6
221.11841	3.4
229.12094	0.7
229.14377	14.1
239.12852	1.9
243.13420	0.7
285.17075	1.0
291.19693	2.5
309.20764	1.4
327.21744	100.0
328.22021	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	327.1599
Annotation	Nepetanudone
Peak:m/z	Relative Intensity
59.01238	1.8
68.99671	0.5
69.32494	4.0
71.01247	0.8
83.21722	0.4
91.05412	1.3
93.03300	0.9
102.31947	0.5
103.05399	0.6
105.03336	1.5
109.02791	1.0
119.04908	10.7
121.02840	1.6
122.03609	2.8
134.03636	0.5
135.04407	11.9
135.84123	0.4
136.04765	0.4
147.04407	14.8
148.05199	18.2
149.02356	0.5
149.05977	1.3
154.02608	0.7
156.69003	0.4
159.04410	1.0
161.05980	37.9
162.06371	2.6
163.03896	0.8
163.07561	5.8
164.07864	0.6
171.08058	0.5
191.07091	1.0
192.07797	0.4
205.08792	0.5
206.09422	9.5
221.11766	4.7
221.32866	0.4
311.12692	0.6
312.13602	6.4
327.15991	100.0
328.16345	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	2.1
58.00460	5.0
59.01250	98.4
69.28671	13.5
69.29076	4.1
71.01257	74.8
72.99189	10.6
73.02815	2.4
75.00735	2.2
83.01232	2.6
85.02818	10.4
87.00745	4.2
89.02318	72.1
90.02630	1.8
93.03324	2.1
95.01256	5.1
101.02321	26.2
109.02818	4.2
113.02323	24.4
119.03402	29.6
119.04902	7.3
143.03362	3.2
147.04422	100.0
148.04793	4.0
149.04503	2.5
161.04469	2.5
163.03943	2.2
165.03967	2.3
165.05467	3.1
179.03265	2.3
179.05510	6.4
221.09607	2.5
247.58499	1.8
276.33008	2.0
283.09671	2.9
303.41391	1.8
318.45831	2.1
327.08377	8.3
328.09061	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	2.2
59.00955	2.1
59.01249	35.9
69.69218	6.1
71.01251	22.1
72.99176	4.7
83.01190	1.1
85.02815	3.4
87.00736	1.2
89.02316	20.4
95.01250	1.7
98.00681	0.9
98.20536	2.1
101.02325	14.8
109.02850	1.8
113.02325	7.1
119.03404	8.4
119.04898	7.0
135.02925	1.0
147.04414	100.0
148.04793	4.3
161.06017	1.2
165.04088	1.8
165.05473	16.9
179.05540	1.6
179.07001	1.7
188.86148	1.1
191.03462	2.0
199.16000	1.0
209.04488	3.2
327.10843	45.7
327.21582	1.2
328.11298	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	327.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.1
57.03321	2.6
58.00448	2.2
59.01247	67.3
62.63106	1.7
69.72416	11.6
71.01248	49.1
72.99181	5.8
73.02818	51.1
75.00743	27.4
83.01256	2.5
85.02814	12.4
87.00746	35.2
89.02316	43.5
90.02621	1.8
95.01250	2.7
96.95893	8.7
99.00729	5.8
101.02320	26.7
105.01820	6.8
113.02328	15.5
115.22879	1.7
117.01852	4.7
119.03369	15.5
124.80923	1.7
125.08229	1.8
129.01791	4.2
131.30667	1.7
136.93947	6.6
143.03508	2.1
147.02824	3.6
161.04362	2.1
174.91750	1.8
179.05478	5.8
203.98509	2.2
251.92215	2.1
254.97276	2.8
327.09311	100.0
328.09750	6.5
342.36829	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	327.0873
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01247	5.7
71.01251	3.6
71.50777	0.7
73.02803	2.7
83.01254	1.3
83.01930	0.8
87.00733	1.0
89.02317	2.2
93.03335	31.8
93.03924	1.5
96.99191	6.9
101.02303	2.8
109.02847	1.3
113.02332	1.1
117.03323	2.8
119.04910	22.9
121.02853	1.6
123.04411	7.3
127.00362	1.2
130.04129	2.5
131.04933	6.1
133.02831	3.7
135.02847	1.5
135.04408	1.0
137.02356	8.7
143.04927	24.0
145.02898	4.0
145.06540	1.2
147.04414	1.3
149.02290	1.5
150.03137	1.3
159.04424	1.4
163.03922	12.1
164.04616	1.6
165.05461	3.3
169.01250	1.1
171.04416	3.6
179.05458	0.8
211.07573	8.6
219.08054	1.1
221.09698	2.5
222.06920	1.2
223.07651	1.5
235.07590	4.5
237.09225	7.4
239.10698	1.0
247.07591	1.0
265.08685	22.5
266.09024	2.0
283.09842	1.5
285.09735	2.3
309.07648	7.7
327.08722	100.0
328.09143	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.62540	0.7
54.25342	0.6
59.01241	2.7
61.65284	0.6
65.67400	0.6
69.13634	0.6
71.01221	1.2
79.95628	0.8
83.71388	0.6
97.61411	0.7
101.02350	0.7
104.25863	0.6
115.93620	0.6
116.01515	0.7
119.04929	0.8
133.58969	0.8
133.75006	0.7
147.92801	0.7
149.09619	95.0
150.09933	5.6
163.11192	100.0
164.11520	6.3
183.01126	18.7
183.02692	1.2
184.01839	0.8
193.07130	1.4
229.66147	0.8
239.07469	0.7
280.43240	0.7
296.88242	0.8
325.07443	1.4
325.18369	32.7
325.21786	96.3
326.18686	4.2
326.22131	9.4
336.80692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.0
69.32492	2.8
69.32916	5.5
69.42198	1.0
71.01256	4.7
72.04841	0.9
72.99171	1.6
74.27273	0.9
78.03524	1.0
85.02779	1.8
85.96799	0.9
89.02296	2.4
93.03333	9.7
99.00702	1.2
101.02315	1.2
107.04907	16.0
109.02811	2.6
113.02324	2.0
119.04903	15.1
121.02820	5.0
123.04382	1.1
131.04869	1.3
133.02823	1.1
135.04416	5.2
137.02333	7.2
143.04926	2.2
147.02875	1.0
151.03877	2.4
163.03922	7.8
179.03410	100.0
179.57365	0.9
180.03716	4.1
188.18449	1.0
192.03070	1.5
195.66565	1.0
205.05026	1.1
207.02904	0.9
207.05585	1.1
211.07605	1.4
221.09709	1.3
235.07553	1.5
237.09129	2.4
244.11520	1.0
251.03720	1.2
258.02487	0.9
265.08801	4.5
267.07916	1.8
267.10910	1.0
283.09714	3.9
309.07629	1.6
327.08728	19.8
327.12744	1.5
327.14294	1.2
327.21756	1.4
328.08920	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	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36971	0.3
69.97364	0.7
69.97774	1.1
79.95567	1.8
119.04913	1.1
137.72543	0.3
170.00385	1.4
183.01132	50.5
184.01721	2.7
197.02713	4.8
198.03366	0.6
211.04387	0.3
216.00916	2.0
225.05844	0.6
226.06456	0.3
230.02414	0.8
239.07437	1.0
261.22272	0.4
325.18405	100.0
326.18738	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.36737	1.4
57.03319	3.1
59.01245	12.8
60.08352	1.1
69.03326	1.8
70.26378	4.3
71.01250	9.6
71.04887	3.6
73.02809	4.7
80.02547	1.3
81.03318	2.1
83.04881	5.2
83.41610	1.5
84.02041	4.6
85.02837	3.0
85.47432	1.2
95.04920	1.7
97.06449	4.2
99.04418	2.7
99.08043	3.3
101.02315	4.6
109.06491	2.3
115.07528	3.2
121.02842	1.8
123.04413	1.4
123.08027	1.8
125.09598	8.0
127.07541	17.2
135.08037	3.6
137.09622	1.6
139.07510	4.0
148.56299	1.3
149.80717	1.3
153.09106	22.9
155.10690	3.9
163.11171	5.3
165.12746	2.9
171.10193	24.3
178.09915	3.1
179.10684	1.3
181.12233	1.5
181.70056	1.3
185.11772	16.9
186.12076	1.6
189.01941	2.5
191.14336	2.3
193.07111	6.2
197.11765	18.9
198.03113	2.0
207.10118	2.1
209.11769	83.8
210.12085	4.3
211.13300	2.0
221.15448	1.4
222.03091	2.3
223.03516	4.7
227.12856	1.5
229.89633	1.3
235.13295	1.7
236.10484	1.6
237.11252	1.6
237.14954	2.8
238.02730	1.9
238.12120	6.8
240.04202	1.4
241.04434	1.8
245.18912	1.6
251.03098	2.7
252.03738	2.4
253.04857	1.5
255.12315	1.6
256.13071	2.1
263.36957	1.2
265.18109	2.2
279.02637	4.0
279.41217	1.3
280.03400	2.5
281.04367	1.7
282.01431	1.8
283.15628	1.5
289.18042	14.2
307.19128	100.0
308.02936	4.7
308.19443	10.0
319.81982	1.6
325.03189	30.0
325.07028	3.6
325.11182	4.5
325.14462	2.6
325.20193	47.7
326.03442	3.1
326.20468	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
58.83213	1.0
59.01247	4.9
70.80100	2.0
71.01246	4.2
72.99180	14.7
73.02789	1.0
79.05022	1.1
81.03350	1.2
85.02821	1.5
89.02301	1.3
93.03327	1.2
93.62399	0.9
95.01229	1.6
95.62100	1.1
97.02785	1.4
101.02294	2.1
107.04877	2.1
116.22043	0.9
119.04919	13.3
121.02825	2.5
123.04388	1.2
134.03625	4.6
135.04434	8.1
143.03378	1.3
145.06506	1.3
149.05989	1.9
161.05986	12.9
163.03917	7.3
171.07907	1.1
173.05946	2.7
173.09615	2.1
177.05489	5.8
181.04932	4.1
183.08081	2.2
189.09151	2.5
190.02689	1.3
193.05151	1.0
193.07059	2.9
199.07527	3.0
201.09137	24.9
202.09442	2.4
205.04930	3.0
207.02872	3.4
215.07066	1.3
217.04927	1.4
217.08626	17.3
222.05222	2.6
223.06113	4.9
227.07060	8.7
237.07613	2.0
243.06490	1.4
245.08133	15.1
246.08549	1.4
261.07703	1.3
263.09241	15.9
265.07080	2.0
271.06097	1.9
279.08740	2.7
288.06882	1.0
289.07126	4.5
298.03699	1.4
307.08279	6.6
316.17511	1.0
325.09247	100.0
326.03256	5.5
326.09521	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	29.8
65.00201	1.2
71.01254	9.7
72.42812	0.9
72.99174	4.0
73.02825	2.1
73.57022	0.9
75.00743	1.3
83.01240	1.6
83.25090	1.0
83.38651	0.8
85.02827	1.3
85.56619	1.0
89.02317	2.9
91.05412	1.2
93.03322	4.3
101.02316	4.0
105.01809	1.0
107.04903	3.2
107.78941	1.0
113.02285	1.1
117.03420	1.2
119.01274	8.7
119.03531	1.1
119.04917	25.7
121.02832	8.6
123.04391	2.0
128.20914	0.9
133.02844	1.2
134.03644	8.3
135.04422	12.1
145.02892	2.3
147.00775	6.1
147.04332	1.3
149.02341	34.2
150.02943	1.2
151.00291	1.2
151.03973	1.1
152.01041	2.3
153.01762	1.2
159.01791	1.0
161.02335	2.3
162.03102	3.5
163.03918	30.7
163.05977	1.3
164.04701	38.0
165.01802	5.3
165.05304	3.1
166.02620	2.1
169.04965	0.9
173.02277	2.1
175.00282	41.3
176.00613	2.2
177.01805	1.9
177.05496	8.9
178.06239	3.2
179.03421	1.5
179.05537	1.8
179.07025	22.5
180.07411	1.2
181.04927	3.8
183.06499	1.0
189.01797	2.5
190.02640	100.0
191.03398	22.8
192.03961	1.1
193.01352	7.0
193.05043	1.2
193.07056	2.1
193.08617	1.2
203.06825	1.0
205.04991	79.6
206.05748	39.7
207.02925	15.2
207.06190	2.9
208.03687	9.3
209.04343	2.8
221.08138	50.0
222.05093	2.0
222.08493	2.7
223.06059	50.8
224.06339	3.0
232.03789	1.1
235.02417	6.9
236.03131	3.0
237.07683	5.4
247.06171	6.6
250.04808	12.7
251.05469	3.2
265.07159	99.5
265.10638	12.0
266.07413	5.8
283.11865	12.3
310.06934	4.7
325.09241	38.2
326.09586	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
55.17308	0.3
56.04803	0.3
59.01254	2.3
60.06318	0.3
71.01251	1.1
85.02810	0.5
92.57813	0.4
93.03356	0.8
105.00532	0.3
117.03333	1.4
119.04910	100.0
120.05213	3.6
135.04396	0.8
145.02850	6.2
163.03911	85.1
164.04262	3.7
179.03415	0.4
187.03909	0.4
193.07097	1.0
193.52049	0.4
229.27209	0.4
325.09171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55326	3.1
51.03722	2.9
55.01735	4.7
57.03315	13.5
59.01247	65.6
69.03320	4.3
71.01240	29.5
71.04884	10.2
71.51115	4.1
73.02785	5.1
76.12324	3.8
81.03323	8.0
83.01250	24.0
83.04898	9.8
85.02810	17.0
87.00748	6.3
89.02302	10.8
93.03325	3.5
95.04896	26.5
96.95840	4.6
97.02805	4.2
97.06452	22.7
97.43732	3.4
101.02309	12.9
107.04897	4.1
109.02854	4.4
109.06454	3.5
113.02316	18.8
123.04411	7.4
123.08044	8.6
125.02341	3.3
125.05915	4.1
125.09609	29.9
130.86797	3.0
135.08044	18.2
137.05959	3.4
141.12810	4.9
149.09624	5.2
161.04431	6.9
163.11143	8.8
165.12772	3.4
167.10664	7.8
171.10226	3.5
185.11743	29.2
189.12878	3.6
191.10674	9.9
203.14293	11.4
208.22786	3.5
209.11754	100.0
210.12140	8.8
211.13350	4.0
237.14951	7.9
243.17583	4.4
247.13309	14.4
251.16452	3.7
265.14328	21.7
287.16394	7.5
305.17468	17.5
323.09659	11.0
323.13037	3.8
323.18628	38.0
324.18948	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	325.0717
Annotation	CCRIS 3210
Peak:m/z	Relative Intensity
58.31499	0.3
59.01253	2.0
71.51554	0.4
71.51957	0.3
77.02689	0.4
78.13654	0.3
80.35371	0.3
84.36586	0.3
85.02786	0.4
93.04245	0.4
93.19913	0.4
101.02316	0.7
105.82315	0.4
119.04922	0.4
145.02827	2.1
146.59604	0.4
156.05736	0.3
171.04439	0.6
172.05237	1.4
184.05246	2.6
193.07053	0.8
195.04332	0.5
197.09680	1.2
198.03000	0.6
200.04672	0.6
207.08052	0.4
208.05159	0.7
209.06017	1.0
210.03148	0.6
210.06667	0.6
211.03969	1.4
212.04716	0.8
213.09138	1.7
214.02652	1.2
221.05994	0.5
223.03958	0.7
223.07652	2.4
224.04765	0.7
225.05556	0.6
225.09105	3.3
226.02602	0.7
226.06297	0.5
227.03435	0.7
227.06950	0.5
233.06036	0.8
235.07605	1.0
236.04669	0.6
237.05478	0.9
239.03497	0.9
240.04257	0.9
241.08621	2.8
242.02177	1.5
243.02882	0.4
250.02699	0.4
251.03481	0.4
251.07126	3.7
252.04250	0.5
253.05170	0.9
253.08636	1.5
254.05786	0.9
256.03647	1.2
261.05536	0.7
263.03647	0.7
264.04272	1.6
265.04956	1.8
267.02917	4.8
268.03653	1.5
269.08148	3.9
270.01523	0.5
277.05011	1.0
278.02304	0.4
279.03009	1.9
279.06625	4.9
280.03516	0.7
281.04541	3.8
281.08136	1.7
282.05338	4.6
289.05240	0.5
292.03857	2.2
295.03168	0.4
295.06042	2.5
296.03220	3.6
296.06821	3.8
297.07654	11.9
298.08008	0.8
305.04407	0.6
307.06082	6.7
308.06812	0.9
309.04028	5.6
310.04764	1.8
325.07156	100.0
326.07516	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99909	2.2
56.00180	2.0
59.01249	100.0
69.73987	12.4
71.01252	13.3
85.02845	4.3
89.02293	4.0
101.02306	6.9
101.05981	3.2
106.98089	2.1
113.02301	5.6
118.71738	2.0
119.03436	2.8
124.00629	2.6
161.04437	8.6
196.31120	2.1
263.11295	4.7
323.09360	4.0
323.13293	3.5
328.45428	2.0
333.77890	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	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	32.8
67.10822	2.6
69.03304	6.9
69.57578	18.1
70.59267	2.4
71.01253	22.5
72.99193	3.0
73.02799	3.2
83.01248	6.4
85.02820	6.9
87.00732	2.8
89.02306	7.1
93.03336	31.0
99.00751	56.4
101.02296	7.1
103.01501	2.4
110.96679	3.2
111.00757	3.2
113.02348	6.5
116.04936	18.9
117.03366	15.1
117.05283	21.3
119.04897	31.3
121.02824	3.2
121.35563	2.5
125.02335	3.8
127.01457	2.7
130.04135	5.3
131.03336	3.3
131.04895	11.9
132.05679	7.8
133.02831	16.2
133.06471	9.9
134.03609	3.5
135.04401	8.0
137.02332	3.3
140.21706	2.8
143.04922	15.8
145.02834	11.1
145.06462	26.5
145.07594	14.2
147.04413	100.0
148.04733	2.9
149.06012	16.5
156.01865	2.6
157.06464	10.0
158.03638	2.9
159.03049	4.0
159.04404	11.3
160.03922	16.7
160.05182	13.2
161.02374	5.4
161.04283	31.6
161.05942	20.5
163.03915	4.3
163.07542	6.3
164.40289	2.6
169.01289	3.1
169.06485	21.2
171.04416	4.9
173.04562	4.5
173.05974	27.4
175.03918	37.6
175.07535	10.5
176.04166	2.7
177.05487	16.1
179.03328	6.3
185.04366	4.1
187.03900	4.7
187.07541	65.3
188.07860	4.7
189.05490	55.2
190.05763	2.6
191.07042	20.7
193.04958	6.3
194.82121	2.7
199.07550	5.4
199.42374	2.7
201.05490	37.2
203.03464	23.5
205.04980	37.8
217.04837	4.1
219.06564	42.2
220.06616	2.9
221.04488	42.0
231.06580	7.5
235.06050	12.1
247.02504	3.4
260.02737	3.3
261.07672	4.4
263.05576	49.4
279.08685	7.1
323.04865	2.9
323.07727	40.9
324.07965	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	323.0921
Annotation	2,3-Dehydro-UWM6
Peak:m/z	Relative Intensity
59.01243	5.3
61.60310	0.6
68.82701	0.6
69.42329	2.1
69.42762	2.6
70.32217	0.5
71.01240	3.0
73.02800	0.7
85.02818	1.4
89.02297	1.7
98.20591	1.3
101.02285	0.8
108.02036	1.9
113.02325	1.6
123.04405	0.7
132.02023	0.6
139.71144	0.6
159.03084	0.6
159.04497	0.7
161.04456	1.0
170.03680	0.8
171.04427	3.6
173.02361	1.7
174.03133	42.0
175.03908	12.6
176.04219	0.7
187.03973	1.2
195.80923	0.6
198.03101	1.6
199.03922	45.8
200.04291	1.5
225.57152	0.8
233.05966	1.0
234.06683	1.6
237.05574	3.1
238.06218	2.1
247.03972	0.8
261.05521	3.0
262.06262	2.5
263.07129	1.0
264.04205	1.4
265.05087	6.6
270.05350	1.6
271.30344	0.6
275.03552	3.2
276.04251	1.6
279.06442	0.8
289.05048	2.9
290.05838	21.6
291.06570	4.8
292.03784	4.0
292.06735	0.7
293.04535	39.8
294.04855	2.4
305.08124	3.2
307.06070	15.4
308.06821	15.4
309.07095	1.2
315.26563	0.6
323.09204	100.0
324.09540	8.1
333.57233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0559
Annotation	Pre-bikaverin
Peak:m/z	Relative Intensity
57.03314	0.3
57.64956	0.3
59.01250	4.3
60.82269	0.2
70.26569	0.9
71.01250	1.4
81.24287	0.3
83.01262	0.3
83.97313	0.2
85.02836	1.0
87.00771	0.3
89.02309	0.8
96.95888	0.4
98.20586	0.2
99.49131	0.3
101.02328	0.8
113.02314	1.2
115.51162	0.3
119.03410	0.3
122.06676	0.2
125.44153	0.3
161.04482	0.8
179.05521	0.3
180.05725	0.6
191.05003	0.5
195.04437	0.3
207.04427	0.6
208.05241	1.0
219.04527	0.6
220.05122	0.3
224.11832	0.3
234.03194	0.8
235.03954	1.1
263.03461	0.8
264.04279	1.6
279.06656	0.3
306.01675	0.3
307.02463	46.9
308.03128	12.8
309.03470	0.8
323.05582	100.0
324.05939	9.1
324.09854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0933
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.00462	0.4
59.01250	7.3
59.75374	0.3
71.01253	5.9
71.30133	0.4
71.80882	0.3
72.99173	0.7
73.02810	0.5
75.22524	0.3
83.01260	0.5
85.02840	1.0
89.02322	2.6
95.01225	0.3
96.95918	0.8
99.00754	0.4
101.02322	4.5
113.02334	1.1
116.04943	75.8
117.05275	2.7
119.03374	2.0
128.04965	1.4
130.06535	3.4
134.03641	0.5
144.04430	0.3
149.05898	0.3
158.06053	1.9
160.03944	100.0
161.04308	4.1
170.06007	0.3
172.03978	0.8
173.08163	0.3
174.08397	0.5
175.03897	0.5
232.06099	1.2
262.07068	0.4
266.77921	0.3
322.09528	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0614
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
57.69450	6.5
59.01250	21.9
71.01259	19.6
71.50018	13.2
81.03337	16.1
83.01254	19.2
85.02810	34.4
93.03325	10.3
95.01234	14.7
95.04928	6.5
97.02837	12.7
99.00748	19.3
108.02015	8.0
109.02838	100.0
111.00757	54.2
121.02769	12.4
123.00749	18.7
123.04428	20.1
124.01536	8.3
125.02331	76.7
127.00274	10.2
137.02342	52.4
139.00288	38.7
139.03909	8.4
141.01828	42.9
147.04506	8.3
149.02304	53.5
151.00343	7.5
151.03922	13.0
153.01855	92.0
154.99805	38.5
159.04362	7.5
161.02353	19.8
162.03214	7.8
165.01845	17.3
167.03441	21.7
173.06128	14.8
174.03209	6.7
175.03876	21.5
175.68631	8.0
177.01849	30.7
179.03429	6.9
181.04942	15.0
189.05501	9.8
191.03479	10.7
191.05424	12.5
194.25768	6.6
203.03438	13.5
215.03384	8.0
217.04994	32.4
218.05386	7.5
233.04402	7.4
241.05034	12.1
259.06149	17.3
275.05466	10.8
285.03946	20.2
303.05002	34.9
321.06158	87.5
322.06348	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	321.0767
Annotation	Decarboxytetracenomycin F1
Peak:m/z	Relative Intensity
56.16943	0.2
59.01247	0.4
69.03303	0.3
69.28344	2.3
81.47804	0.3
93.03335	4.8
98.71883	0.3
104.24141	0.2
115.05048	0.3
117.03345	3.4
119.04903	5.2
132.23003	0.2
133.94348	0.3
143.04893	0.8
145.02840	2.5
145.06505	0.4
151.17123	0.3
155.75609	0.3
156.52844	0.3
159.04417	0.6
160.01534	0.5
161.02396	0.5
163.03920	26.6
164.04268	0.8
171.04395	0.4
173.02356	12.0
174.03123	4.7
175.03702	0.6
183.04422	0.3
186.03178	0.6
187.03944	8.5
188.04337	0.5
189.01906	1.0
191.03426	0.9
199.03928	1.7
200.04706	0.7
201.01863	12.4
202.02148	0.7
217.01421	1.5
227.03442	0.4
231.08086	0.4
233.05984	0.4
235.07478	0.3
247.07549	0.6
249.09161	0.3
261.05682	1.6
262.06171	0.4
274.06348	0.6
275.07184	3.8
276.07727	0.7
277.05746	0.5
277.08682	3.5
278.05905	1.5
278.08679	0.4
279.06607	15.4
280.06961	1.0
292.07422	3.4
293.08185	7.2
294.08676	0.5
303.06601	1.6
321.07654	100.0
322.04233	0.5
322.08008	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	319.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64867	0.5
57.03316	2.5
59.01249	3.2
60.99174	1.1
66.63419	0.5
70.83743	1.5
71.01247	2.3
71.04881	2.3
73.02830	0.7
75.00723	0.7
85.02824	0.8
86.22921	0.5
87.04387	100.0
88.04725	2.2
89.02323	1.1
92.58578	0.4
101.02339	1.2
109.75933	0.5
111.04400	0.5
113.02286	0.9
117.01817	0.5
135.02898	5.4
135.04340	0.5
139.11180	12.1
140.11539	0.9
141.09146	0.5
157.12262	3.0
182.85515	0.6
183.10188	3.5
191.96718	0.5
201.11252	45.4
202.11597	2.5
292.64792	0.6
308.74997	0.5
319.13965	28.2
320.14322	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	319.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33777	0.4
57.03320	1.6
59.01251	3.2
60.99187	0.7
65.96677	0.3
68.09287	0.3
71.01253	1.6
71.04901	2.9
71.05751	1.0
73.02835	0.5
75.00745	0.4
80.41608	0.4
82.71474	0.3
85.02840	0.9
87.04391	100.0
88.04734	1.5
89.02327	0.7
101.02354	0.4
113.02335	0.5
117.01829	0.7
118.97948	0.6
135.02893	5.1
139.11182	18.2
157.08655	0.8
157.12227	3.5
183.10199	2.1
201.11259	45.7
202.11552	2.8
209.11864	0.4
319.13965	28.0
320.14340	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	317.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05277	0.4
58.56949	0.4
59.01253	1.6
71.01251	0.9
71.50560	0.8
80.04922	2.7
82.65753	0.4
93.03341	0.4
93.59675	0.5
101.02360	0.4
104.04987	0.6
106.06538	1.5
108.04468	1.0
120.99592	0.9
122.06036	0.9
125.02293	0.7
136.07558	1.2
137.02388	0.6
145.02879	0.7
147.68597	0.4
148.07602	1.5
149.02414	0.5
150.05438	0.7
151.00262	0.7
155.01614	0.6
155.10603	0.9
161.02371	0.7
161.07126	1.7
161.88580	0.4
173.02414	0.6
185.07086	2.4
187.05040	1.3
194.41974	0.5
196.07643	2.2
197.07118	1.9
198.07846	1.5
211.08754	1.0
211.12381	0.7
212.09187	1.0
212.10812	1.5
213.10262	3.4
225.06644	22.2
226.07338	5.0
227.11821	2.2
237.10393	1.0
239.08244	3.7
240.09000	20.9
241.09244	1.1
242.99243	0.9
245.00897	1.5
255.11359	68.5
256.11697	4.6
270.98834	1.0
272.08124	0.9
273.00803	2.3
273.04126	1.4
273.12427	100.0
274.12775	6.7
298.98334	1.2
299.99081	0.7
316.99319	7.6
317.03085	3.4
317.11359	9.6
317.99789	0.7
318.11560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06626	1.3
59.01237	1.9
71.01253	6.8
71.28893	3.5
78.98452	3.5
79.95625	6.4
80.96389	45.2
85.02832	2.8
87.00742	1.8
89.78682	1.4
94.97958	8.6
96.95871	2.7
101.02313	3.2
106.97962	1.8
122.97472	1.8
125.02322	2.4
134.97469	1.8
148.99017	3.4
152.98561	4.6
164.98557	8.0
165.04028	2.1
225.00719	9.5
317.05469	100.0
318.05835	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	317.0666
Annotation	Nanaomycin E
Peak:m/z	Relative Intensity
51.65132	0.6
59.01235	1.5
67.01736	1.3
69.35689	3.6
69.36113	2.6
71.01253	0.8
72.99184	10.6
73.37767	0.6
83.52372	0.7
106.06528	1.7
107.01302	0.9
109.02846	1.6
117.03369	0.9
125.02344	1.5
133.02879	0.8
137.02321	1.0
140.01054	1.1
145.02837	1.0
147.04401	1.3
151.00256	1.5
153.01918	0.7
154.77460	0.8
155.03452	1.3
159.03146	0.6
159.04399	4.1
161.02356	1.3
167.04813	4.8
167.08597	1.0
169.06375	0.7
178.99754	2.0
181.06517	14.8
182.07008	1.1
183.04405	0.7
183.08090	1.5
185.06036	0.8
189.01859	1.0
190.99770	1.1
193.06499	12.5
194.06853	1.0
199.07655	6.1
201.03680	0.9
209.05969	4.2
211.04015	13.9
211.07578	33.1
212.04294	1.0
212.07899	1.8
217.01476	1.5
224.04794	0.8
225.05432	3.3
227.07008	4.7
227.27454	0.9
237.05525	21.9
238.05873	1.7
242.99228	1.4
243.06577	2.7
245.00842	4.1
253.05058	1.3
255.03735	1.0
255.06604	32.5
256.06927	2.4
270.98996	4.0
271.06110	47.1
272.06500	1.9
273.00421	6.3
273.03979	1.8
273.07724	2.5
273.12286	1.2
281.04541	19.6
281.07535	1.3
282.04922	1.1
298.98602	4.6
299.05612	56.9
300.05966	3.8
316.99640	12.1
317.03189	6.2
317.06641	100.0
317.19312	1.3
318.07019	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50936	0.4
54.31004	0.4
55.09259	0.4
63.02250	1.3
65.00192	3.4
67.01761	0.8
69.82967	2.2
69.86155	0.4
81.03326	0.6
83.01252	2.2
90.02571	0.4
91.01752	0.4
93.03326	1.5
95.01267	5.1
107.01269	5.0
109.02837	15.5
109.99999	0.9
111.00768	6.7
117.03307	1.3
121.02818	1.6
123.00753	5.0
123.04376	1.0
124.01565	2.1
125.02346	4.5
133.02791	1.4
135.00746	1.1
135.04398	0.5
136.98656	1.1
137.02348	11.0
139.00279	8.5
139.03874	1.6
140.00542	0.5
143.04890	0.5
145.02831	2.2
145.06473	0.9
147.00769	0.8
147.04372	0.9
149.02357	4.5
151.00273	17.2
151.03877	0.8
152.01109	3.6
153.01889	3.7
155.04848	0.5
159.04399	1.3
161.02324	2.2
161.05920	0.4
163.00276	6.6
163.03961	0.9
164.01056	3.2
165.01640	1.6
165.98961	1.5
166.99779	5.3
169.01280	1.9
169.02667	0.5
171.04385	2.2
173.02313	1.3
173.05914	1.0
174.03172	0.5
175.00240	0.5
175.03900	1.5
177.01831	0.7
178.99779	18.7
180.00328	1.2
181.01291	1.3
183.04430	0.5
187.00291	1.0
187.03906	2.4
189.01900	2.8
189.05510	1.3
190.99744	1.1
192.00516	0.5
193.01350	4.9
194.99280	2.3
197.02277	0.6
199.03960	4.7
200.04436	0.6
201.01830	1.4
201.05486	1.5
203.03404	1.5
203.55649	0.5
205.01314	1.6
206.99341	2.2
208.00096	2.5
211.03938	0.6
213.01936	0.9
214.02647	0.6
214.99719	0.8
215.03380	1.9
217.01323	1.9
217.04933	2.4
227.03410	4.8
228.03920	0.7
229.05009	0.7
230.02168	0.9
231.02890	1.3
242.99382	2.7
243.02911	3.4
244.03348	0.6
245.00877	6.4
245.04486	2.3
247.02502	0.7
255.02919	2.3
261.03961	0.6
270.98801	8.0
271.02420	8.5
271.99219	0.7
272.02829	2.0
273.00366	12.6
273.03970	11.8
274.00754	1.1
274.04202	0.8
275.01968	1.1
282.19791	0.5
288.02332	1.2
289.03528	2.8
298.98257	11.3
299.01923	8.9
299.98880	2.3
300.02362	1.5
316.99362	12.8
317.02930	100.0
317.99594	1.2
318.03259	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	316.9935
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02259	1.6
65.00187	4.9
67.01743	1.5
68.99699	1.1
69.27690	7.5
69.28095	2.1
77.98804	0.9
78.90593	1.0
81.03313	1.2
83.01255	4.4
93.03342	3.1
95.01252	7.7
107.01279	9.9
107.61655	1.0
108.02080	1.4
109.02833	24.9
109.03519	2.0
111.00772	10.5
117.03334	4.2
119.01255	1.7
121.02837	3.3
123.00765	6.1
124.01528	3.2
124.98616	1.0
125.02370	9.4
133.02852	4.3
136.98703	1.7
137.02364	11.0
139.00275	11.8
139.03938	3.4
141.01854	1.5
145.02893	8.0
147.00719	1.8
147.04451	2.5
149.02361	7.0
151.00281	23.0
151.03937	1.9
152.01064	5.5
153.01863	4.9
157.50583	1.1
159.04340	2.1
161.02301	7.5
163.00276	8.4
163.03938	3.2
164.01051	5.4
165.01761	3.0
165.98949	2.7
166.99754	8.7
169.01344	2.4
171.00847	2.2
171.04430	3.1
173.02357	9.1
173.05968	2.1
174.03166	1.9
175.03911	2.2
177.01855	1.9
178.99779	16.8
180.00189	1.6
183.04347	1.1
185.06056	1.5
187.00317	3.7
187.03979	2.7
189.01817	11.6
189.05389	1.2
190.02345	1.1
190.99782	4.7
191.03458	1.6
193.01318	4.9
194.99307	1.3
197.02293	1.5
199.00331	2.1
199.03915	6.1
200.01079	1.0
201.01839	6.8
201.05464	2.4
203.03514	1.5
205.01433	1.5
206.99286	3.3
208.00061	2.6
213.01987	1.2
214.99821	4.4
215.03401	3.6
217.01401	11.1
217.05005	2.9
218.01729	1.2
225.01895	1.2
227.03366	6.1
228.00595	2.2
229.01369	2.6
229.04988	1.3
230.02196	1.3
231.02910	3.4
242.99281	22.0
243.02899	5.8
243.99878	1.4
244.03250	1.1
244.98289	1.3
245.00865	41.4
245.04584	2.9
246.01251	3.0
255.02933	3.6
270.98819	49.9
271.02393	13.8
271.99191	3.7
272.02856	2.6
273.00397	52.1
273.03958	13.4
274.00818	3.8
288.02158	1.3
288.99753	1.7
289.03384	3.2
298.98386	56.2
299.01910	10.9
299.98859	8.1
300.02283	2.6
316.99289	57.5
317.02975	100.0
317.19632	1.3
317.99652	3.9
318.03342	6.7
325.54453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.91568	0.4
70.41368	1.9
71.01246	2.0
73.02811	1.0
81.03313	0.9
84.79204	0.5
85.02812	2.7
95.01310	1.1
101.02311	0.8
108.02051	100.0
109.02849	24.2
110.03156	1.2
113.02337	1.9
119.05050	0.5
121.02837	1.2
122.43988	0.5
123.00771	1.4
123.04440	1.5
133.02872	0.9
135.02876	0.7
135.04420	2.4
151.03915	1.0
152.01054	66.5
153.01839	26.4
153.05498	1.1
163.03920	1.8
165.01822	1.9
200.57141	0.5
291.70508	0.5
315.07214	71.3
316.07428	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	315.0874
Annotation	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
65.00188	0.1
69.25269	1.3
71.05441	0.1
79.10941	0.1
107.04922	0.5
117.03302	0.2
121.02831	0.4
122.03223	0.1
134.03635	1.9
135.04413	100.0
136.04749	3.1
150.26694	0.1
153.05487	0.2
161.02309	0.5
165.01860	0.4
230.99292	0.2
297.07666	0.5
299.99161	0.4
315.08722	16.3
316.09030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37783	0.8
55.29046	0.8
59.01247	1.4
63.12419	0.7
65.00183	1.0
65.68002	0.7
66.82360	0.8
68.99676	0.8
69.29612	1.3
69.30016	5.9
71.01250	1.5
72.99195	1.0
75.00744	2.4
78.13606	0.7
83.01238	1.3
85.02825	1.2
85.77310	0.7
89.00199	3.4
91.01746	1.7
103.56465	0.7
103.84831	0.9
106.00478	4.2
108.02052	2.5
109.02843	1.0
111.00774	2.3
117.01794	1.0
121.02837	59.6
122.03119	1.5
123.00779	2.0
123.04399	1.3
125.02364	0.8
127.00266	2.1
135.02911	5.0
136.98689	1.7
138.03104	2.7
139.00272	2.4
145.02774	0.9
152.01036	2.1
153.01939	1.0
153.05464	45.5
154.01366	2.9
154.05826	1.5
164.72560	0.8
165.01740	1.1
167.95096	0.8
170.03134	0.8
175.00465	0.8
179.31192	0.8
182.02171	2.3
187.00092	0.8
196.66672	0.7
197.04478	100.0
198.04733	4.1
226.62405	0.8
230.99266	1.1
231.40370	0.8
243.02950	2.0
271.02444	0.9
272.03128	0.9
286.98294	1.8
314.97983	1.8
315.07480	1.8
315.15866	1.0
315.98428	0.9
316.02115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.95891	0.4
52.05747	0.5
52.70783	0.4
53.91188	0.5
61.24809	0.4
63.16282	0.4
66.40947	0.5
69.81565	2.3
69.81972	0.9
71.01250	2.8
73.02810	1.1
81.03333	1.1
85.02826	2.4
95.01270	1.3
101.02316	1.1
108.02050	100.0
109.02844	38.1
109.03619	0.9
110.03172	1.2
113.02332	1.2
121.02849	1.3
123.00745	1.3
123.04424	1.7
133.02849	1.0
135.02914	2.4
135.04414	5.3
151.03928	2.1
152.01054	71.4
153.01840	36.4
153.03696	0.6
153.05359	0.7
154.02150	1.4
163.03920	1.3
165.01813	2.2
179.03564	0.4
181.04910	0.5
181.80299	0.4
197.04472	0.6
291.76257	0.5
315.07196	89.3
316.07516	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
55.01767	0.4
63.02273	0.5
65.00190	23.5
66.00527	0.4
67.01765	0.3
69.46702	2.0
81.35510	0.2
83.01259	0.6
89.00199	7.1
91.01768	5.3
92.02087	0.3
93.03331	11.2
94.03658	0.4
97.02824	17.8
98.03155	0.4
99.00768	0.3
107.01278	0.3
108.02068	0.5
109.02827	1.4
109.99986	0.3
110.74201	0.3
111.00780	0.3
115.66753	0.2
121.02838	43.9
122.03135	1.5
123.00761	0.9
124.01563	0.3
127.00261	0.7
135.00792	0.4
135.04475	0.4
137.02336	0.5
138.03033	0.3
139.00264	0.6
139.03909	10.7
140.04233	0.4
147.00783	0.4
148.01541	0.8
149.02338	12.4
149.99483	6.2
150.02827	0.5
151.00322	1.2
153.05449	3.4
159.04417	0.4
161.02333	0.4
163.00262	0.8
164.01059	1.0
165.01836	80.2
166.02164	3.3
171.04504	0.2
172.05090	0.3
182.02136	0.7
183.01355	0.5
183.02919	7.4
183.04399	0.6
184.03230	0.4
187.03917	0.7
188.04559	0.3
193.01349	33.1
194.01669	1.7
197.02628	0.6
197.04478	8.1
198.03072	0.4
198.04756	0.3
199.03946	1.2
200.04596	0.6
203.03354	0.4
211.03911	0.8
214.02620	0.3
215.03412	0.9
216.04211	1.3
226.02669	1.1
227.01161	0.4
227.03398	2.8
228.04182	0.9
239.03427	0.7
243.02917	9.3
244.03563	2.2
254.02155	0.7
255.00609	0.4
255.02979	5.0
256.03680	3.8
257.04163	0.4
259.06131	1.8
271.02460	12.1
271.05594	0.6
272.03165	8.3
273.03500	0.5
287.01984	0.8
287.05490	2.0
299.99533	0.2
300.02731	6.6
301.02957	0.4
315.05072	100.0
316.01852	0.7
316.05386	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	315.0512
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
55.48677	0.4
59.01235	0.7
63.02262	1.9
65.00193	17.2
74.27767	0.4
83.01258	1.2
89.00207	4.6
91.01758	3.6
93.03334	7.3
95.01281	1.0
96.95863	0.4
97.02830	12.5
98.19889	1.1
107.01274	2.3
108.02081	0.9
109.02832	3.1
116.46448	0.4
119.04906	1.6
121.02845	41.5
122.03191	1.2
123.04402	0.9
124.01569	1.2
135.61232	0.4
136.01546	0.9
139.03912	3.5
148.01553	0.9
149.02319	3.3
149.99480	5.5
151.00304	5.2
151.03914	0.7
152.01064	0.5
153.05542	0.7
161.02367	1.1
163.00282	2.1
164.00998	2.1
164.98161	1.3
165.01845	83.7
166.02135	3.5
169.01364	0.4
175.00311	0.4
183.02921	1.2
192.00615	1.4
193.01363	9.9
196.00055	0.6
207.02927	1.8
211.03992	1.1
212.04820	0.7
215.03419	0.5
216.04240	0.7
225.85947	0.4
227.03455	1.7
228.04236	2.3
229.01463	0.8
240.07663	0.6
242.02022	0.5
243.02939	2.1
244.03738	1.2
255.03006	1.5
256.03708	2.0
256.48682	0.4
257.03802	0.7
259.06128	1.7
269.04675	0.6
271.02536	2.2
271.05536	0.6
272.03293	2.7
283.02435	0.8
285.04105	1.0
286.98209	0.5
287.05603	3.2
288.06027	0.6
289.57205	0.4
299.99146	2.8
300.02774	15.1
300.05881	0.7
301.03024	0.6
314.04688	0.5
314.97644	2.5
315.05112	100.0
315.08459	5.6
316.01834	0.6
316.05441	8.2
316.08890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0509
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
63.02268	1.2
64.15251	0.1
65.00192	14.7
66.00520	0.4
68.99691	0.2
83.01257	1.0
83.39465	0.2
89.00194	4.2
91.01771	2.8
91.09264	0.2
93.03332	6.2
93.03924	0.3
94.00521	0.2
94.03611	0.2
95.01262	0.5
97.02828	9.8
98.03133	0.2
107.01263	1.7
108.02058	0.6
109.02832	3.1
119.01321	0.1
121.02840	34.9
122.03175	1.0
123.00775	0.2
124.01550	1.1
135.00774	0.3
136.01578	0.3
139.03912	2.3
147.00766	0.4
148.01567	0.8
149.02345	3.0
149.03423	0.3
149.98302	0.3
149.99493	4.8
151.00279	3.4
152.00902	0.3
161.02354	0.5
163.00299	2.4
164.01082	1.2
165.01839	72.5
166.02176	2.8
169.01207	0.2
172.05220	0.2
178.02646	0.3
179.03435	0.4
183.02895	0.6
183.04337	0.3
184.05084	0.2
188.04774	0.2
192.00554	1.1
193.01347	9.9
194.01718	0.6
198.03127	0.3
199.03952	0.3
200.04642	0.5
202.02608	0.2
206.02225	0.2
207.02954	1.5
211.03932	0.3
212.04742	0.3
215.03368	0.4
216.04256	0.7
217.04758	0.2
224.58334	0.2
226.02596	0.9
227.03421	1.5
228.04228	2.0
230.02292	0.2
241.04985	0.2
242.02206	0.5
243.02979	2.1
243.06601	0.3
244.03741	1.4
254.02284	0.8
255.02939	2.0
256.03656	1.5
259.06085	1.5
269.04483	0.6
270.01685	0.3
271.02472	4.8
271.05627	0.3
272.03177	2.3
283.02475	0.9
287.02429	0.3
287.05548	2.6
298.01385	0.2
299.01968	0.3
300.02731	13.9
301.03107	0.9
313.03513	0.2
315.05087	100.0
316.05411	9.8
334.53177	0.2
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
59.01275	0.8
63.02284	0.9
65.00188	6.4
71.01276	1.0
71.51653	0.5
79.38183	0.4
79.95657	0.5
83.01266	0.6
88.99712	0.5
89.00177	2.1
91.01756	2.0
93.03335	3.2
95.01305	0.5
96.95891	2.4
97.02824	5.3
101.02325	0.6
107.01257	2.0
108.02098	1.6
109.02835	6.0
110.03207	0.6
119.01263	0.8
119.04949	0.6
121.02843	16.8
122.03194	0.4
123.04448	0.9
125.02393	0.7
135.00803	1.1
135.04449	0.5
136.01607	0.6
137.02391	1.1
139.03909	0.8
147.00835	0.8
148.01642	1.3
148.43602	0.4
149.02351	2.0
149.99507	2.3
151.00258	2.8
152.00989	0.4
153.05467	1.3
161.02377	0.8
163.00299	4.5
164.01012	0.9
165.01840	35.7
166.02266	1.1
171.04398	0.6
175.00284	0.4
178.99892	0.5
183.02960	0.8
185.09996	4.2
187.00383	0.5
187.03868	0.9
188.04688	0.8
190.99800	0.6
192.00531	0.8
193.01353	4.7
198.03076	0.8
199.03963	2.2
200.04433	1.5
201.01965	0.7
203.03508	0.7
207.02966	0.8
211.04008	1.2
212.04620	0.4
214.99831	0.5
215.03430	1.0
216.00658	0.4
216.04146	1.9
226.02628	5.1
227.03433	4.1
228.04059	2.6
230.99335	0.9
243.02959	16.6
243.06714	0.8
244.03362	2.2
249.37820	0.5
254.02200	5.5
255.02966	17.0
256.03586	2.4
259.06052	1.4
266.00323	0.4
269.04449	1.2
270.04971	0.5
271.02475	56.1
272.02872	16.5
273.03085	0.9
273.11713	0.6
283.02527	0.4
286.98425	1.2
287.05658	2.3
297.04019	1.3
299.02139	2.0
299.99130	9.6
300.02621	79.2
301.02985	4.8
314.97595	2.7
315.01688	5.3
315.05032	100.0
315.98480	0.5
316.02255	0.7
316.05484	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	315.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	0.2
71.37949	0.4
82.70685	0.2
104.04604	0.2
108.02026	0.3
132.02084	0.4
135.69855	0.2
144.02089	0.3
148.01535	0.6
151.00313	0.5
153.05466	0.3
156.26970	0.3
160.01556	1.2
172.01572	1.6
178.59131	0.3
187.00285	0.3
188.01035	1.0
197.11789	0.4
200.01065	2.8
200.31128	0.2
216.00574	4.2
226.12663	0.2
226.99731	0.5
227.07344	0.4
228.00548	0.6
230.99309	0.5
242.99292	2.2
244.00053	3.4
249.68166	0.3
270.98801	1.3
271.02243	0.3
271.99686	1.1
282.98801	0.7
287.02115	0.3
287.05460	0.3
298.98227	1.3
299.99088	100.0
300.99420	6.1
315.01443	43.6
316.01813	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	315.0145
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
65.00120	0.3
69.30256	0.6
69.30683	0.8
104.02461	0.2
107.01163	0.1
108.02045	0.8
109.02767	0.3
114.14207	0.2
114.88992	0.1
121.02726	0.3
132.01952	0.6
144.01936	0.3
147.00629	0.3
148.01453	0.6
150.88031	0.1
151.00151	0.2
152.00916	0.7
153.01743	0.4
153.05377	0.2
159.00642	0.2
160.01529	1.3
163.00168	0.3
164.01013	0.2
165.01727	0.5
167.63914	0.1
172.01534	1.0
176.00969	0.5
188.01068	1.2
189.01668	0.2
199.00217	0.2
200.01079	2.3
201.01384	0.2
214.99794	0.4
215.98598	0.3
216.00565	3.8
226.99709	0.6
228.00513	0.6
230.99306	0.4
241.05032	0.2
242.99309	1.9
243.02966	0.8
244.00089	2.9
244.02798	0.2
244.03513	0.1
254.99115	0.2
255.03029	0.9
270.98810	1.3
271.02420	2.6
271.99622	0.7
272.02689	0.2
282.98856	0.4
286.98547	0.3
298.98373	1.6
299.99094	100.0
300.99451	5.8
301.02930	0.4
315.01471	40.7
315.04984	3.4
316.01834	2.9
316.05325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01238	0.8
59.28067	0.3
62.83982	0.3
65.00233	0.4
69.16253	2.6
69.16664	1.3
75.00713	0.4
98.19764	0.8
101.03840	0.6
111.99300	0.4
117.03313	0.4
127.05426	2.4
129.03343	0.8
137.02319	0.7
139.05450	5.9
140.05731	0.7
141.03345	5.6
142.03674	0.4
143.04938	0.7
145.06447	0.4
147.04413	1.6
149.99554	0.4
155.04933	6.3
156.05205	0.4
157.02869	1.7
159.04434	1.2
167.04932	6.0
171.04398	2.3
173.05968	1.4
177.01837	0.5
183.04436	11.3
184.04778	0.8
185.02342	0.7
187.03864	0.5
199.03923	14.7
211.03941	3.7
226.02879	0.4
227.03442	6.9
227.05710	0.5
239.03467	1.8
239.20056	0.4
255.02963	73.6
256.03339	4.8
269.04379	0.4
271.02542	0.5
281.10294	0.7
283.02463	100.0
284.02805	8.5
298.04816	66.5
299.01968	0.4
299.05121	5.8
313.07169	53.4
313.23709	0.6
314.07492	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	313.238
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.46640	0.8
57.03315	0.9
59.01240	3.9
63.86944	0.8
64.27419	0.9
69.97667	1.6
69.98060	2.5
71.01241	2.7
74.98650	0.8
85.02871	1.1
89.02302	2.5
102.29122	0.9
113.02337	1.1
119.03357	1.0
121.02848	2.3
139.11200	1.0
145.02769	1.9
151.03871	1.5
156.13562	1.0
184.01405	2.2
185.00583	8.8
249.22150	1.1
251.23776	64.7
252.24101	5.9
255.03000	2.2
269.24899	1.7
275.20840	0.9
283.02524	4.7
283.05914	1.5
295.19437	0.8
295.22729	22.5
295.83481	0.9
296.23099	2.0
298.04800	4.2
313.07056	3.1
313.10980	1.6
313.16705	17.8
313.23834	100.0
314.17191	1.4
314.24170	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	313.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21638	0.2
59.01253	1.3
63.19800	0.2
65.00195	1.0
71.01250	0.8
71.37634	0.4
83.08475	0.2
89.02326	0.6
93.03342	0.3
95.04890	0.3
108.02046	0.4
117.03380	0.3
119.03395	0.3
121.02838	100.0
122.03159	2.9
123.04414	2.0
128.33028	0.3
130.04108	0.6
132.02036	0.6
133.02841	1.4
133.99959	0.6
141.03333	0.6
145.02844	0.7
148.98749	0.3
149.99493	0.9
154.04109	1.6
156.02065	3.6
164.98279	0.4
169.02876	0.4
170.03665	0.4
180.05699	0.7
180.60698	0.2
181.06502	4.5
181.07996	0.4
182.03738	1.5
183.04225	0.2
185.02437	0.4
186.03127	1.8
198.03105	1.2
211.03920	0.2
213.01935	0.3
214.02704	0.7
225.02119	0.3
225.05515	6.7
226.02626	2.2
226.05829	0.3
227.03383	1.0
241.05179	0.4
242.02211	1.9
244.06764	0.3
253.09322	0.4
254.02107	0.6
255.02966	1.6
269.00812	0.4
269.08160	0.4
270.01657	6.1
270.04657	0.4
271.02045	0.7
283.02499	1.6
285.04013	1.4
298.01190	9.0
298.04810	4.4
298.08133	0.5
299.01532	0.4
299.05057	0.3
307.37097	0.3
313.03522	8.6
313.07169	19.2
313.10962	0.9
313.20285	0.4
313.23828	0.5
314.04037	0.6
314.07507	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75061	0.2
59.01248	1.0
63.02245	0.3
65.00189	1.5
68.88227	0.2
71.01242	0.5
71.50771	0.3
75.44511	0.2
79.01746	0.3
89.02280	0.4
91.01740	0.7
95.01220	0.3
96.99155	0.3
101.02261	0.2
106.61559	0.2
107.01228	0.6
112.37736	0.2
113.02271	0.2
117.03332	12.9
118.03661	0.5
119.01210	0.3
119.04878	1.0
121.02855	0.3
123.00717	0.7
125.02285	0.3
135.00774	4.5
136.01508	0.3
136.98683	1.9
143.04890	0.7
145.02869	0.4
149.02385	0.3
149.99454	0.5
151.00267	1.5
151.03886	0.4
155.04973	0.2
159.04390	1.6
162.57751	0.2
163.00272	15.5
164.00607	0.6
164.37148	0.2
164.98187	5.5
165.98856	0.2
167.04869	0.4
169.01320	0.3
169.02690	0.4
171.04442	0.2
177.01859	0.6
177.98967	0.4
178.02681	0.2
178.99841	1.0
183.04443	5.2
184.04750	0.4
185.02362	1.5
187.03920	1.0
195.04437	0.4
199.03812	0.4
211.03937	2.3
226.75624	0.2
227.03453	5.8
228.03880	0.2
239.03429	0.8
253.09203	0.2
255.02963	19.1
256.03311	1.2
267.02884	0.3
268.03870	0.4
269.04538	5.4
270.01691	0.4
270.05014	0.7
281.04639	0.5
283.02457	100.0
284.02808	7.2
295.02499	0.4
297.04031	12.2
298.04794	46.8
299.05106	3.2
313.07162	72.6
313.23752	0.7
314.03973	0.4
314.07495	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	313.0717
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.81673	0.6
56.78505	0.5
65.00155	0.7
71.27562	1.1
91.50310	0.5
107.01227	0.9
117.03271	0.7
121.19251	0.6
159.04422	0.7
163.00142	0.6
183.04507	3.8
211.03949	3.0
213.01860	0.7
227.03365	2.6
239.44748	0.5
241.04906	0.9
255.02986	62.6
256.03372	3.5
269.04428	1.3
283.02478	100.0
284.02820	8.0
298.04834	86.7
299.05127	7.0
313.07181	54.0
314.07541	5.9
326.10132	0.7
326.14124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.93554	0.9
57.03310	2.4
59.01257	8.8
60.31638	1.1
64.72993	0.9
83.04922	1.3
90.39442	1.0
91.07993	1.0
98.19790	2.6
99.08042	3.2
107.75768	1.0
113.09631	4.7
129.09116	5.8
169.12236	2.9
171.10149	6.1
181.12305	5.1
183.13832	1.6
193.12251	3.3
197.11771	12.5
199.13261	4.9
202.28185	0.9
211.11481	1.9
211.13351	21.1
212.13615	1.0
229.44044	1.6
249.22198	1.3
251.11232	1.6
293.21207	19.2
294.21649	1.7
311.22272	100.0
312.22614	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.88711	0.8
57.03320	1.6
59.01250	12.3
64.14948	0.8
69.03313	1.7
70.02798	0.8
70.65474	2.5
71.01238	1.5
76.90793	0.8
83.04908	1.1
86.68972	0.8
99.08031	5.9
113.09615	4.0
127.07529	1.0
129.09106	14.8
141.09114	1.3
145.02916	1.0
151.11266	1.3
153.12733	1.4
167.10698	1.4
169.12192	3.1
171.10159	1.4
181.12247	9.6
183.01070	1.0
183.13829	3.3
193.12236	2.5
197.11740	13.3
199.13370	6.8
211.13332	31.3
212.13669	1.7
239.07043	1.3
249.22003	1.2
251.11356	1.2
275.20087	1.9
293.21231	18.1
294.21515	1.1
311.22253	100.0
312.22604	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03318	1.8
58.00458	1.0
59.01246	6.3
69.03326	0.8
71.01262	1.3
78.49082	0.6
81.94190	0.7
83.04890	0.8
92.67985	0.6
97.06496	0.7
99.08030	2.4
113.09603	2.5
123.08037	1.2
125.09590	1.2
127.11180	1.9
127.51663	0.7
129.09111	7.9
135.62254	0.7
139.11176	4.6
151.11203	1.6
155.10670	1.8
161.41196	0.6
169.12234	2.4
171.10172	22.2
172.10503	0.9
181.12276	4.9
183.10214	2.0
183.13744	2.1
185.11757	3.2
193.12244	1.6
197.11763	9.3
199.13297	4.5
201.11272	3.5
211.13330	16.6
212.13588	0.7
251.11351	0.9
265.86725	0.6
275.20163	2.0
293.21210	19.2
294.21695	1.6
311.22263	100.0
312.22543	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	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85765	2.4
59.01248	100.0
65.09257	2.9
69.55969	6.4
69.56384	11.5
71.01254	9.4
72.91985	2.5
73.02814	3.6
80.20798	2.5
98.43402	3.2
101.02330	8.3
113.02334	6.7
126.69999	2.8
127.63331	3.3
161.04454	6.4
168.46123	2.4
172.96317	2.9
201.62923	3.0
243.95201	2.6
251.11356	20.3
311.22159	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.91342	1.2
57.03311	3.3
58.00457	1.4
59.01249	24.3
62.55404	1.1
69.82708	2.7
69.83125	5.4
71.01234	1.6
73.38564	1.3
83.04871	2.1
89.02316	1.4
90.89240	1.5
92.33939	1.6
92.85339	1.2
99.08015	3.5
110.52345	1.4
113.09616	3.5
120.72566	1.5
127.07529	1.9
129.09109	10.6
136.46805	1.5
161.04399	1.9
162.14516	1.5
167.14360	1.9
169.12180	1.9
171.10196	7.4
174.03241	1.6
181.12247	7.8
183.13809	1.6
193.12248	1.8
197.11746	8.6
199.13339	4.4
201.11183	1.9
211.13339	24.7
239.03288	1.4
251.11299	3.0
253.04771	1.4
275.20093	3.6
292.70322	1.4
293.21164	18.6
294.21466	1.8
310.20963	1.5
311.08716	3.1
311.16727	3.0
311.22263	100.0
311.29584	3.4
312.22601	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91557	1.1
55.01740	1.4
59.01259	8.4
69.40749	2.2
69.41153	8.0
69.83319	1.1
71.01253	3.1
72.99176	1.3
73.02806	9.1
75.00759	5.0
82.93225	1.1
87.00748	10.1
89.03836	1.9
102.07166	1.0
111.00777	1.3
117.01823	18.2
117.03329	8.7
119.04922	9.9
121.02914	1.1
134.03632	90.2
135.02914	13.7
135.03897	1.6
137.02312	1.6
139.03859	1.1
149.02357	1.3
149.06024	9.0
163.03917	13.4
178.02667	5.5
179.03180	1.3
193.04993	100.0
194.05328	3.4
221.04469	1.3
251.11314	1.7
311.07922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0983
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
55.01754	2.4
58.00488	2.1
58.17132	1.9
59.01250	85.2
67.05347	1.9
69.45232	12.3
71.01250	52.0
71.01627	3.8
73.02827	17.7
74.76638	1.6
77.57446	1.8
83.01249	4.4
85.02820	6.0
89.02314	100.0
90.02687	2.7
98.20544	4.1
99.00758	48.8
99.44003	2.3
101.02314	43.4
102.69135	2.4
113.02336	8.2
119.03468	2.4
125.02354	3.3
131.03383	11.5
143.03389	3.1
149.04451	37.7
161.04463	2.8
178.49850	2.3
191.05547	15.7
201.05533	9.6
224.04852	4.1
225.05492	8.3
267.06586	3.2
293.04565	4.6
296.03180	6.2
311.05530	12.3
311.22119	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	309.207
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
56.77691	0.7
57.03312	1.3
58.00451	2.0
58.66541	0.7
59.01238	2.6
62.85617	0.9
69.03326	1.7
69.42284	4.0
69.42707	2.0
71.01260	1.2
86.55922	0.8
96.12589	0.7
109.06477	1.3
111.08032	27.6
112.08344	1.5
127.07525	3.0
128.14597	0.8
151.07544	0.8
151.11122	2.5
152.08305	2.0
153.12785	1.2
169.12218	6.4
181.12178	2.5
183.13741	1.3
193.12233	1.0
197.11755	100.0
198.12111	5.8
199.13310	3.9
209.15361	2.4
211.13368	11.0
227.12767	2.4
263.20200	6.9
265.18060	2.5
273.18506	1.6
291.19666	15.8
309.17139	3.6
309.20660	34.2
310.21011	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67811	1.3
55.01762	2.0
57.03306	1.6
57.32034	1.4
59.01245	13.1
64.27132	1.5
71.01237	4.2
71.04890	24.3
71.50145	1.9
95.04909	1.9
97.02791	1.7
97.06486	7.7
107.04884	1.7
111.08031	5.9
119.04879	1.4
119.08456	1.8
121.10125	6.8
123.08025	2.4
125.09615	5.1
137.09608	23.4
141.12759	2.8
146.76440	1.3
171.10176	69.8
172.10516	3.1
185.11707	9.6
197.11739	14.6
201.11133	1.3
207.13834	2.2
209.11830	1.5
211.13216	3.4
219.13922	2.7
233.15483	3.5
235.16963	3.3
237.14868	3.6
238.15147	1.8
251.16473	21.4
266.02090	2.1
273.18481	1.4
291.19653	79.6
292.20065	9.2
294.01532	1.8
309.04272	3.2
309.07596	1.8
309.17188	6.2
309.20679	100.0
310.20963	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	310.1082
Annotation	(-)-Ushinsunine beta-N-oxide
Peak:m/z	Relative Intensity
59.01252	3.8
69.19360	7.1
92.04949	0.7
92.80492	0.7
93.03329	0.9
116.04926	0.8
130.06543	1.3
136.13408	0.8
139.22591	0.6
141.34474	0.7
145.02824	1.0
173.02327	1.4
174.03151	4.9
187.03972	1.5
203.07338	6.6
204.07933	1.1
211.71811	0.7
218.09657	2.3
219.06912	0.9
220.07590	2.0
221.08380	1.4
222.09200	1.1
224.04733	1.1
233.04720	2.6
234.05376	1.0
235.07620	1.1
235.09842	0.8
236.07257	1.1
236.10767	3.4
237.05525	1.2
238.05095	1.0
246.05554	6.4
247.06343	26.9
248.07077	10.4
249.04361	1.3
249.07646	0.9
250.05003	8.4
250.07462	0.8
250.08694	1.0
251.05818	14.7
252.06319	0.8
252.10229	1.4
253.03825	1.2
260.07138	2.3
261.07870	6.9
262.05771	1.3
262.08691	23.7
263.05859	2.9
263.09042	1.5
264.06653	14.2
265.07419	22.4
266.08044	5.4
267.08719	0.8
278.08279	3.9
279.09000	68.7
279.28833	0.6
280.09732	36.1
281.10190	1.9
282.07666	2.2
292.09720	3.3
293.10321	1.5
294.07742	2.8
295.08255	0.7
298.03223	0.8
310.10843	100.0
311.11273	9.5
311.22202	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.99697	2.3
58.00468	3.0
58.06944	2.8
59.01247	8.4
69.03316	7.1
69.91785	3.1
70.55215	2.5
70.86021	8.2
71.01259	3.0
75.61399	2.7
83.04900	2.6
97.06472	2.8
111.08051	14.9
119.08551	14.6
124.27650	2.6
125.09594	5.5
127.11143	4.0
135.08047	2.9
137.09615	31.1
139.11229	2.8
151.03944	5.9
151.07561	11.6
151.11185	3.5
152.08333	12.0
155.10692	3.8
167.10693	4.3
171.10161	100.0
172.10594	4.2
183.10240	6.3
185.11711	24.8
190.80447	2.6
195.10208	4.0
197.11749	49.3
198.12169	5.2
201.11162	7.0
209.15359	24.0
210.15889	3.6
211.13361	7.9
213.11218	8.7
247.20547	5.5
252.09975	5.3
263.20163	4.2
265.18069	5.7
273.18582	7.1
291.19644	60.2
292.19977	5.9
309.17084	33.9
309.20724	68.4
310.17523	4.3
310.20923	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.56377	0.8
55.57242	0.8
55.64622	0.7
59.01232	1.6
69.03290	1.2
70.52634	1.9
70.52988	1.6
93.06959	1.2
97.02807	1.6
97.61797	0.8
99.00772	1.0
109.06459	1.4
111.08038	36.5
112.08325	1.1
127.07535	2.4
140.06461	0.8
141.09006	1.2
147.43587	0.8
151.03879	1.0
151.07542	1.4
152.08290	2.6
153.12697	1.2
165.12674	1.8
167.10739	0.8
169.12234	5.3
171.10112	1.7
181.12178	2.2
183.13763	2.0
193.12144	1.0
197.11755	100.0
198.12064	4.1
199.13322	4.5
207.13615	0.9
209.15387	4.7
211.13326	9.7
227.12775	4.1
247.20654	1.2
263.20233	4.8
265.17981	2.7
273.18634	2.0
274.77640	0.8
291.19644	24.3
292.19901	2.0
294.56964	0.9
309.17059	6.4
309.20624	41.0
310.20938	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	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.67811	1.3
55.01762	2.0
57.03306	1.6
57.32034	1.4
59.01245	13.1
64.27132	1.5
71.01237	4.2
71.04890	24.3
71.50145	1.9
95.04909	1.9
97.02791	1.7
97.06486	7.7
107.04884	1.7
111.08031	5.9
119.04879	1.4
119.08456	1.8
121.10125	6.8
123.08025	2.4
125.09615	5.1
137.09608	23.4
141.12759	2.8
146.76440	1.3
171.10176	69.8
172.10516	3.1
185.11707	9.6
197.11739	14.6
201.11133	1.3
207.13834	2.2
209.11830	1.5
211.13216	3.4
219.13922	2.7
233.15483	3.5
235.16963	3.3
237.14868	3.6
238.15147	1.8
251.16473	21.4
266.02090	2.1
273.18481	1.4
291.19653	79.6
292.20065	9.2
294.01532	1.8
309.04272	3.2
309.07596	1.8
309.17188	6.2
309.20679	100.0
310.20963	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.35620	0.5
52.96673	0.4
59.01245	1.1
68.47172	0.4
68.76330	0.5
70.35439	1.5
71.01228	0.7
73.02804	0.5
81.13068	0.5
88.64394	0.5
96.95885	0.7
172.28065	0.5
227.03238	0.5
307.22760	100.0
308.23080	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.73755	1.3
55.01744	1.6
57.03319	3.5
57.94675	1.2
59.01244	9.9
59.25778	1.3
69.03335	2.9
71.01263	1.8
71.04895	30.5
95.04971	1.7
96.95885	3.0
97.06480	9.8
98.20544	5.0
101.02311	2.5
111.08042	4.6
113.02308	1.5
117.47923	1.4
121.10082	7.3
123.08002	2.1
125.09599	5.9
127.11105	1.5
137.09612	32.1
138.10014	1.6
152.08298	1.4
161.04346	1.6
171.10182	81.3
172.10475	3.4
181.12233	2.3
185.11760	11.5
193.15929	1.6
195.13783	1.4
197.11717	13.2
198.11949	1.4
207.13910	2.3
211.13264	2.7
211.80254	1.7
219.13763	3.0
233.15524	3.3
235.16917	4.2
237.14958	3.9
241.04556	1.6
247.20665	4.5
251.16486	27.3
252.16682	1.7
265.18112	2.0
266.02206	2.9
273.18646	2.4
291.19644	91.4
292.20078	8.4
294.01633	1.9
305.17456	1.5
309.03986	5.0
309.20688	100.0
310.07404	2.0
310.10800	2.0
310.21027	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	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01248	8.1
67.01763	1.8
69.03322	1.5
71.01256	1.9
71.51180	1.7
83.04906	1.7
85.02795	0.9
93.03327	1.0
93.07000	1.1
96.95875	1.0
97.06477	2.3
101.02299	1.6
106.09493	1.0
111.08028	2.8
121.10110	12.9
123.08023	1.6
125.02335	1.0
125.09618	9.5
137.09592	2.3
141.12671	1.2
147.08035	0.9
151.07596	1.2
152.08183	1.4
167.14279	1.9
171.10161	3.6
185.11790	12.3
192.16740	1.1
197.11771	10.0
209.11739	1.6
211.13335	70.3
212.13609	4.7
238.06248	1.1
247.20616	1.1
258.40167	1.0
266.01999	1.1
273.18680	1.7
274.15024	1.0
291.19647	100.0
292.19998	11.3
309.04172	2.9
309.11502	2.3
309.17056	3.9
309.20670	11.2
310.11060	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	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03302	0.9
59.01248	4.6
62.82749	0.4
69.03314	1.0
71.01254	1.7
71.04523	0.6
71.04892	5.5
71.51764	0.6
73.02796	0.5
80.02541	0.7
81.03330	2.1
83.04893	2.4
83.05316	0.3
93.03331	0.4
95.04893	1.7
97.02807	0.4
97.06491	0.7
97.45983	0.4
98.03598	1.5
103.03874	0.4
106.04106	1.2
107.04954	0.6
109.02799	0.6
109.06474	14.3
111.04411	7.0
111.08036	1.2
112.05214	0.5
121.06480	0.9
121.10114	0.5
123.04401	0.6
123.08026	1.3
124.05058	0.4
125.05883	0.4
127.07513	3.7
128.54979	0.3
131.44096	0.4
133.10132	0.4
135.08064	0.4
137.05963	0.5
137.09593	0.7
141.09135	0.5
143.10667	1.6
145.06499	2.7
149.06023	0.7
149.09639	1.1
149.49457	0.4
151.11125	0.6
159.07957	0.5
161.04408	0.5
167.10666	2.4
169.12276	0.5
175.48297	0.4
179.10683	1.5
181.12274	0.5
191.14249	0.8
195.13840	4.2
215.14401	0.6
235.13356	1.6
245.19095	5.3
250.66818	0.4
251.16469	1.4
271.16968	2.0
273.14865	0.6
287.16522	2.6
289.18085	100.0
290.18451	8.3
300.62543	0.4
307.05740	0.4
307.10373	1.1
307.19128	11.3
308.19446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.4
59.01245	11.1
67.01747	1.1
69.03327	3.8
69.21657	6.4
69.22089	3.9
71.01256	3.4
79.95611	6.0
80.02546	2.1
80.96391	1.8
81.03318	6.5
83.01242	6.7
83.04894	3.5
85.02841	2.2
93.03342	1.8
95.04903	4.1
96.66002	1.0
97.02824	4.8
97.06468	8.8
106.04141	1.3
106.15929	1.0
109.06470	3.1
110.03637	1.5
119.08633	1.2
121.06483	2.8
123.04413	9.9
123.08046	4.5
125.05985	1.7
125.09608	17.1
135.08055	3.0
137.05980	1.9
137.09633	13.0
141.12756	3.4
142.02594	2.2
149.06004	2.4
151.11208	2.1
161.04466	1.9
163.07584	2.2
163.11172	14.7
164.08241	1.1
165.12727	3.1
167.10657	1.9
171.10214	2.3
179.10730	2.9
181.12326	3.5
185.11760	21.8
185.13428	1.6
189.12862	1.1
191.10709	3.5
191.14352	19.7
192.14735	1.5
194.97087	1.2
207.10211	10.0
209.11766	34.0
210.12029	1.3
217.15988	2.4
225.11263	11.8
226.11969	1.2
227.18161	1.7
243.17448	1.6
245.19078	40.6
246.19426	3.9
263.20212	2.2
271.17020	4.0
271.24368	1.1
287.16602	1.0
289.18085	100.0
290.18451	7.1
307.10214	3.2
307.19159	50.5
307.22449	1.8
308.19189	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72610	2.9
54.73259	3.0
55.80649	3.9
57.03318	17.1
59.01250	34.3
59.90599	3.0
69.03311	9.1
69.55216	23.3
71.01234	21.7
72.88430	3.1
73.02809	6.8
79.77032	3.0
83.04871	4.5
85.02823	7.5
89.00250	3.3
89.02305	5.1
95.01234	4.1
95.04906	7.0
97.02840	3.7
97.06485	21.5
97.07013	3.8
103.03876	5.8
108.02100	3.7
109.06487	6.5
111.08029	9.8
119.04892	3.1
119.13783	3.5
121.06418	4.2
123.04444	5.2
123.08021	4.0
125.09597	8.6
135.04433	5.9
145.02888	5.4
149.09578	7.2
151.11195	26.2
153.09084	5.8
153.12750	4.9
155.10660	15.4
160.30217	3.4
161.04477	9.9
162.98518	3.1
163.11128	3.6
165.12732	30.9
167.10652	6.3
171.10196	8.5
177.12685	6.7
179.03337	3.4
179.10641	9.8
181.04971	3.6
181.12236	30.9
185.11774	11.1
191.10680	13.2
191.14301	9.7
192.11382	3.5
205.12350	4.7
209.11755	55.3
210.12146	5.3
211.13342	10.9
245.19081	40.4
263.16846	3.2
263.20090	22.7
271.16962	4.0
277.36816	3.8
279.19672	4.6
289.15170	5.8
289.18124	54.1
290.18344	7.4
293.03220	3.6
307.10352	11.1
307.15695	7.8
307.19089	100.0
308.19431	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01765	1.2
56.17265	0.5
57.03322	0.8
57.76892	0.5
58.00460	2.1
59.01249	45.1
60.01563	0.5
60.54366	0.4
70.25005	1.9
71.01250	26.6
72.99172	3.4
73.02811	2.9
83.01246	2.4
83.04886	0.9
85.02819	5.9
87.00760	1.4
89.02313	21.8
95.01284	1.2
97.02796	0.6
99.00768	1.2
99.08033	23.5
100.08360	0.6
101.02322	18.9
102.02585	0.6
103.94484	0.5
105.24155	0.5
113.02323	9.6
114.70283	0.5
119.03389	9.3
127.07520	5.8
129.09102	2.0
131.03375	0.6
131.66518	0.5
141.09116	2.4
143.03322	0.7
143.05280	1.4
145.08601	68.6
146.08946	1.6
149.04375	0.7
161.02382	0.8
161.04443	2.6
165.50281	0.5
174.03136	1.4
179.05563	0.7
187.02502	0.5
187.07544	0.5
187.09648	2.3
189.05583	0.8
220.56871	0.6
245.00856	0.7
248.02156	0.9
263.04614	0.6
290.05655	0.6
292.95239	0.6
307.04016	1.5
307.13971	100.0
308.06973	0.6
308.14374	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	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12363	4.0
55.76775	3.5
59.01254	15.3
71.01260	9.9
71.51628	4.9
72.04411	21.0
87.05516	10.0
88.03927	15.6
89.02315	3.9
91.05412	8.3
96.95880	6.5
97.03929	5.7
99.05532	6.3
100.03928	100.0
103.03893	3.4
115.05029	91.0
134.03639	23.0
135.04410	10.4
144.02948	45.8
145.02898	5.8
147.04381	7.8
161.04443	4.7
165.76860	3.6
176.07108	18.9
178.02641	3.9
187.07657	5.0
201.10236	11.1
235.10811	42.2
244.07214	3.7
245.09238	19.6
261.08673	3.6
263.10269	10.7
307.02612	5.5
307.05991	12.4
307.12054	8.9
307.15347	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19678	0.5
58.90947	0.4
59.01240	2.5
65.00211	0.5
69.79345	1.0
69.79754	2.2
71.01253	1.9
73.02793	0.7
74.98938	4.9
75.56342	0.5
85.02862	0.6
89.77682	0.5
91.02092	3.0
93.00005	4.1
101.02332	0.8
149.00841	3.6
159.08371	6.8
161.04413	0.7
161.06313	2.1
179.03323	0.7
202.85011	0.5
206.99590	1.3
209.01241	2.8
217.07190	1.1
223.02782	52.0
224.02841	4.8
225.00838	0.6
241.03842	1.6
289.07480	1.1
289.18048	0.9
291.09079	100.0
292.09219	10.7
307.09622	0.9
307.12506	1.3
307.19449	0.7
307.22830	1.1
309.10074	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.1
59.96600	0.4
71.01245	0.6
74.98936	5.3
76.97408	0.3
80.89914	0.3
85.02824	0.4
91.02098	2.8
93.00012	3.3
98.20502	0.7
101.02328	0.3
149.00870	2.6
159.08380	6.5
161.06305	1.7
192.98024	0.8
206.99643	1.8
209.01256	2.9
217.07123	0.8
223.02788	49.3
224.02867	4.1
225.00778	0.4
241.03868	1.0
289.07492	2.3
289.18045	0.3
290.07684	0.4
291.09091	100.0
292.09216	10.4
307.12442	3.0
307.19232	0.3
308.12473	0.3
309.10141	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	307.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73786	3.4
59.01249	32.8
65.00193	8.3
65.03811	4.9
71.01258	20.5
71.50048	5.0
82.72713	3.1
85.02817	8.0
89.02314	12.0
97.02797	3.9
99.00800	4.5
101.02308	10.2
107.04909	6.9
109.02886	4.6
111.00758	3.7
113.02355	5.8
114.70202	3.5
117.03384	5.4
119.03410	7.5
119.04913	9.5
121.02872	7.8
125.02303	6.2
127.07521	5.6
133.02844	8.5
135.04411	13.1
144.10213	3.0
145.02850	14.1
145.08633	4.2
147.04433	12.5
149.02304	4.2
161.02347	27.3
161.04454	5.1
163.03894	14.5
175.03902	8.9
179.03415	7.1
188.26508	3.4
189.01880	31.9
191.03456	12.7
193.01549	3.1
205.01324	5.0
207.02885	5.7
209.00810	3.9
217.01375	53.7
218.73166	3.5
219.02855	15.2
224.81300	3.8
235.02454	4.7
245.00896	100.0
246.01332	6.8
263.01981	93.0
264.02371	7.5
289.00201	3.5
307.01022	4.4
307.07858	6.3
307.13934	48.4
328.74054	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	307.0283
Annotation	Resveratrol-3-O-sulfate
Peak:m/z	Relative Intensity
51.98803	0.4
69.20054	3.2
69.20477	2.2
71.01276	0.5
81.44488	0.5
90.78105	0.5
92.02600	1.0
93.03333	39.5
94.03662	1.1
95.01249	0.6
107.04899	4.5
108.02046	1.9
121.02840	42.8
122.03167	1.7
132.40794	0.5
136.01535	1.6
137.02327	0.5
187.00671	2.9
197.06012	10.1
198.06358	0.9
199.07550	5.1
209.05957	0.9
225.05510	0.8
227.07082	100.0
228.07439	6.2
307.02808	40.8
308.03101	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03316	2.1
58.02821	2.6
59.01249	6.5
69.03321	1.3
71.01244	1.7
71.04886	41.1
71.49817	1.1
71.64964	1.0
72.05254	1.5
77.09121	1.0
80.02546	1.5
81.03337	3.8
83.04901	1.7
89.00206	1.4
93.03326	3.4
95.01276	1.4
95.04897	19.6
97.02821	1.2
97.06520	1.1
106.04082	1.4
107.04889	2.2
108.02039	2.7
109.02857	1.3
109.06473	17.7
111.04382	2.7
119.04945	2.0
121.06452	6.6
123.04395	1.7
127.07519	3.0
130.07370	1.2
132.84943	1.1
135.08069	2.7
139.07549	1.4
147.04376	2.4
147.08031	3.7
149.02371	1.6
149.06007	1.7
150.06752	1.9
153.09103	1.6
160.98709	1.2
161.05948	3.8
165.09120	12.8
168.13914	1.5
169.14182	3.5
179.14363	1.3
189.12775	16.1
203.14366	1.2
205.15866	11.3
215.10718	1.7
231.13773	1.9
232.97128	2.0
233.11850	8.9
243.17500	10.3
244.18184	1.3
249.14944	11.1
261.18576	2.8
263.16479	2.1
269.15524	3.7
287.16504	80.4
288.16852	7.0
305.17560	100.0
306.17892	9.7
308.17947	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73569	0.2
56.33047	0.2
59.01247	39.8
60.01577	0.3
70.24658	0.4
70.25018	0.5
71.01256	0.3
76.54594	0.2
79.95608	1.9
95.81586	0.2
96.95882	100.0
97.06469	0.8
97.95836	0.6
99.75522	0.2
132.44719	0.2
133.10304	0.2
135.08032	0.9
147.08049	1.4
151.11139	0.3
163.11116	0.3
165.09096	0.7
174.03154	0.4
181.12320	0.3
189.87065	0.2
202.02576	0.3
217.01263	0.2
225.11259	23.5
226.11623	1.4
239.82489	0.2
246.01645	0.6
261.03937	1.6
262.01114	0.3
287.01920	0.2
290.00519	0.4
305.06973	85.3
306.03699	0.4
306.07312	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03318	1.8
59.01250	4.7
63.29729	0.9
69.03330	1.0
71.01244	2.5
71.04887	32.4
71.50965	1.4
73.38946	1.0
80.02546	1.2
81.03332	3.2
83.04887	2.1
89.00199	1.4
93.03331	2.6
95.01259	1.1
95.04898	14.3
101.02303	1.3
106.04131	2.7
106.30308	1.0
107.04886	1.8
109.06477	12.3
119.04890	1.2
120.05646	1.2
121.06457	4.5
122.03611	2.8
123.08014	1.5
127.07533	1.5
135.08046	5.4
139.07506	1.5
143.84160	1.0
147.04352	1.8
147.08025	3.0
149.02406	1.2
149.05998	1.3
149.09605	1.2
150.06667	1.6
161.06017	2.3
165.09129	10.1
173.06100	1.0
175.84424	1.1
178.11032	1.0
185.11823	1.6
189.12756	11.0
190.13182	1.2
203.14342	1.7
205.15907	9.3
231.13849	2.4
232.97229	1.5
233.11736	7.2
243.17531	9.8
249.14917	11.1
261.05734	2.2
261.18488	2.8
263.16422	1.7
269.15448	2.7
287.03476	4.0
287.16510	67.0
288.16852	6.7
305.04578	12.4
305.07986	1.8
305.17557	100.0
306.04883	1.9
306.17892	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0302
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
57.92370	0.8
59.01233	2.3
60.29403	0.9
71.01252	1.8
75.80830	0.8
79.01776	1.0
83.01220	1.2
83.39108	0.8
83.57668	0.8
84.64845	0.8
88.66035	0.9
101.02275	0.8
106.20125	0.9
108.01985	1.2
109.02838	1.3
118.04111	2.7
121.02847	1.1
122.03606	2.6
122.74864	0.8
133.02827	1.6
145.02866	5.6
146.03633	24.3
147.03969	1.1
150.03133	2.0
158.03636	2.0
161.02315	6.2
165.01831	1.2
171.00801	0.9
172.01537	5.2
173.02342	5.2
174.03139	64.5
175.03474	2.6
177.01831	1.3
178.02560	1.2
189.01813	4.3
189.05482	1.3
190.02637	6.1
200.01091	1.5
201.01897	8.5
202.02654	48.4
203.03014	2.0
205.01366	3.7
217.01363	2.9
217.05005	4.0
218.02127	8.2
228.00514	0.8
229.01169	1.3
233.01115	1.0
235.06113	1.1
245.00839	2.7
246.01659	68.7
247.02045	4.6
261.04025	45.2
261.06821	1.5
262.04321	3.0
271.99673	7.1
286.90182	1.0
287.01913	5.3
290.00665	45.4
291.00955	2.9
305.03009	100.0
306.03238	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	305.0668
Annotation	Robinetinidol-4alpha-ol
Peak:m/z	Relative Intensity
55.01745	1.0
55.50083	0.9
57.03325	4.6
59.01247	3.5
67.01768	1.0
69.03323	3.0
71.01247	4.4
71.48007	1.5
79.33299	0.9
81.03332	2.4
83.01255	5.8
83.04914	1.1
85.02809	0.9
93.03339	2.2
95.01282	5.8
95.04910	4.5
96.95879	10.7
97.02827	6.5
99.00756	13.6
99.04399	2.5
101.02335	1.2
108.02052	1.5
109.02837	28.3
111.00766	17.7
111.04373	2.6
113.02333	1.6
113.05939	1.6
116.08276	0.9
121.02866	5.1
123.00766	6.9
123.04417	12.3
124.01545	4.8
125.02338	35.4
126.02637	1.2
127.00273	1.3
133.02824	2.5
135.04382	5.4
137.02341	22.2
139.00273	22.2
139.03909	8.2
140.01013	4.0
141.01825	6.8
141.53456	1.0
149.02351	7.0
149.05968	1.4
150.03075	1.1
151.03883	7.0
153.01840	3.3
154.02553	1.0
159.04385	5.0
161.02350	18.2
161.05942	1.2
162.03122	7.7
163.03911	2.6
164.01047	3.5
165.01848	7.9
165.05469	2.6
166.02238	1.1
167.03430	8.5
173.05989	1.1
174.03114	1.3
175.03946	4.5
177.05513	6.2
179.03401	5.2
181.04974	2.7
195.02956	2.6
201.05489	4.8
203.03423	4.2
204.04166	1.2
205.05022	4.0
215.06990	1.0
217.05006	1.8
219.06604	9.6
221.04440	1.0
243.06644	4.7
245.04611	1.4
259.06052	1.6
261.07645	3.1
269.04590	1.7
283.88675	1.1
287.05591	12.5
291.23190	1.0
291.65662	1.0
305.06686	100.0
306.07007	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	303.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.8
59.80105	0.7
69.79903	4.9
121.02827	1.2
123.04408	0.8
131.01302	0.8
145.02847	2.4
146.03658	1.1
146.26622	0.7
147.00800	1.0
149.02303	1.2
173.02365	16.8
174.03133	100.0
175.00296	0.8
175.03500	7.1
187.03905	1.0
195.04445	2.2
196.05251	5.1
200.04703	11.7
201.05214	1.5
202.99648	1.0
205.85333	0.9
209.06039	2.0
213.05534	7.4
214.02612	7.4
215.03374	0.9
215.07051	11.6
216.07449	1.0
223.07625	1.0
224.04700	7.7
225.09175	8.1
227.07104	6.6
227.10695	1.7
228.04279	1.0
228.07841	18.6
230.99242	4.7
242.05884	0.9
242.09496	0.9
243.10304	4.8
253.08669	7.5
270.08905	0.9
271.09732	51.2
272.10123	4.1
285.11404	2.4
302.97659	3.4
303.00656	7.6
303.08878	1.5
303.12283	3.6
319.20389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	45.7
59.03199	0.3
61.56387	0.3
69.42593	2.4
84.06033	0.3
90.43486	0.3
114.27161	0.3
118.11124	0.4
127.93805	0.3
168.13850	100.0
169.14197	4.8
175.48700	0.3
190.67125	0.3
212.12880	3.6
227.04739	0.4
304.19202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29170	0.6
81.30132	0.5
97.06484	1.2
106.60937	0.5
121.02803	0.6
129.53886	0.6
145.02847	1.8
146.03659	0.9
149.02344	1.0
149.07820	0.6
154.64023	0.5
173.02353	14.0
174.03134	100.0
175.03484	5.1
187.03905	0.9
195.04443	1.9
196.05136	0.7
199.03912	0.6
199.07550	0.8
200.04707	6.4
201.05139	0.5
211.04024	0.7
213.05496	9.6
214.02649	1.2
214.06046	0.7
215.07079	14.0
216.07433	1.1
223.07596	0.9
224.04788	2.0
225.09222	1.6
227.07095	8.1
228.07858	22.6
229.08255	1.4
230.99269	1.0
231.06483	0.8
242.05766	0.8
243.10089	0.9
253.08566	1.2
271.09744	46.0
272.10101	4.4
285.07684	1.6
285.11331	2.2
286.59503	0.5
302.97546	0.7
303.00467	3.7
303.09064	0.8
303.12350	2.3
304.23840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0872
Annotation	Dihydrokalafungin dihydroquinone form
Peak:m/z	Relative Intensity
59.01244	1.4
69.27927	5.3
69.28365	4.3
71.04897	1.5
73.02818	1.5
81.03308	1.1
83.04865	1.7
97.02849	1.5
97.28645	1.0
99.04410	2.3
109.02834	3.7
121.02833	1.3
127.03899	4.2
130.04117	1.8
131.04887	2.7
139.03854	2.3
141.01788	1.4
143.04863	2.5
145.02838	5.0
145.06471	1.0
147.04379	2.1
151.03961	1.2
158.03603	2.6
159.04434	6.7
161.02336	2.4
163.03899	3.6
165.01794	1.3
171.04411	4.6
173.02362	8.1
173.05957	4.5
174.03136	100.0
175.03889	17.2
183.04416	4.3
185.06001	17.6
186.03125	2.0
187.03931	15.9
188.04579	2.8
189.01830	3.1
189.05490	14.8
191.03432	4.8
199.03984	2.6
200.04601	2.1
201.01785	3.8
201.05479	10.6
202.02650	50.6
202.06255	2.3
203.03047	3.8
211.03940	17.9
212.04564	3.2
213.05475	7.8
214.02667	2.2
215.03384	4.4
215.07050	3.4
216.04224	1.7
217.05000	5.6
223.07558	1.3
223.65514	1.1
225.05498	1.5
227.07089	1.9
228.04149	1.2
228.07713	1.6
229.05023	5.5
229.08676	1.6
230.99295	2.9
231.06567	48.9
232.06932	2.7
239.03409	2.2
239.07011	2.1
240.07872	1.6
241.08463	1.4
242.09436	17.0
243.09906	1.5
244.03671	4.0
244.07286	1.9
257.04477	30.6
257.08096	4.7
258.04794	2.0
258.08932	5.9
259.06049	4.0
261.04013	4.2
268.07379	5.8
271.09894	2.5
285.07660	4.4
286.08344	2.5
302.97614	2.4
303.00403	10.0
303.04935	3.8
303.08682	11.4
304.08969	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.52461	0.2
60.97371	0.9
64.54070	0.2
66.67056	0.2
71.22147	0.4
74.98944	0.5
83.74419	0.3
87.69257	0.2
87.90655	0.2
118.96158	0.5
126.48654	0.2
134.99289	5.9
136.97206	2.3
141.07335	0.5
143.05261	0.8
145.02869	0.3
150.98828	0.5
151.00162	0.3
159.08342	1.4
161.06302	6.7
201.04045	0.7
203.05582	3.5
205.03510	1.1
215.05641	1.1
217.07156	86.3
218.07307	6.0
235.08331	0.4
261.06113	0.5
283.11893	0.7
285.13470	36.0
286.13599	3.4
299.99249	0.4
300.99911	5.2
301.16589	100.0
302.00220	0.4
302.16766	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	303.0512
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
52.11803	1.5
55.01745	3.2
57.03320	4.5
59.01237	3.2
64.55227	1.7
65.00200	1.4
65.03869	1.5
67.01775	3.0
68.99698	2.8
69.03336	2.5
70.26429	5.6
71.01250	5.1
81.03332	7.1
83.01262	7.2
85.02834	5.9
93.03349	3.2
94.94107	1.7
95.01271	5.3
95.04909	2.0
96.99197	3.2
97.02821	6.3
99.00770	14.5
99.03631	1.7
105.03355	2.1
108.02074	4.3
109.02839	28.8
111.00773	17.0
113.02341	2.1
119.04885	2.2
121.02873	6.9
123.00797	8.9
123.04414	4.4
124.01574	1.9
125.02345	100.0
126.02661	3.8
127.00251	3.2
131.04941	1.9
133.02876	5.7
135.04431	5.4
136.01596	2.0
137.02348	37.9
138.03203	8.5
139.00273	25.7
139.03838	2.0
140.01030	3.4
140.07066	1.6
141.01842	57.2
141.07437	2.4
142.02275	1.9
143.04955	1.7
145.02852	3.5
146.03607	3.0
147.00758	1.5
147.04420	9.8
148.01488	1.9
149.02356	11.5
150.02835	1.7
150.61858	1.7
151.00258	2.0
151.03899	5.3
151.87585	1.7
152.01056	3.8
153.01845	60.4
154.02370	2.1
155.04893	1.7
159.04440	5.3
161.02362	26.5
161.06052	5.6
162.03105	4.2
163.03914	6.5
164.01025	4.5
165.01840	10.6
166.02618	9.3
167.03445	7.6
171.04475	3.2
173.02351	5.1
173.06012	3.3
174.03186	6.6
175.03928	25.5
177.01854	11.5
180.00542	6.2
181.01361	4.5
185.06081	3.7
187.03911	4.9
188.04669	2.0
189.05528	9.4
191.03416	3.4
191.07147	1.7
193.01355	1.7
194.02200	2.4
198.03151	2.2
199.03928	4.9
201.01866	9.7
203.03482	9.6
205.04997	4.4
213.05505	5.5
214.51837	1.4
215.03494	2.7
215.07082	2.2
216.04228	1.7
217.05032	18.2
229.05037	3.5
231.03052	3.3
231.06602	3.9
233.04457	2.8
235.06041	2.3
241.04953	7.8
257.04517	7.8
259.06235	7.3
265.81815	1.6
270.65533	1.5
275.05533	3.0
285.04089	18.1
294.75043	1.7
297.60477	1.7
301.74152	1.7
303.05112	35.3
303.08548	2.3
304.05719	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	301.0353
Annotation	Bracteatin
Peak:m/z	Relative Intensity
53.43466	0.4
54.35145	0.3
59.00956	0.6
59.01243	7.2
63.02269	7.3
65.00195	12.0
69.54827	0.8
69.55241	1.9
73.02799	0.9
73.22823	0.3
82.90010	0.4
83.01260	8.4
89.03849	0.4
92.40858	0.3
93.03335	3.8
98.20597	0.7
104.98807	0.3
106.06497	0.6
107.01272	18.8
108.01553	0.4
108.04434	2.2
108.99199	0.4
109.02831	2.7
109.44026	0.3
111.00766	0.5
117.03345	1.2
121.02846	15.8
122.03146	0.5
123.00790	0.4
124.01556	0.5
124.07574	0.8
125.02316	1.1
129.03346	0.6
133.02832	0.8
136.01692	0.3
136.07559	5.1
137.02325	0.4
139.03891	1.6
145.02844	3.3
147.04395	0.9
148.01581	0.6
149.02350	2.5
151.00272	52.4
152.00621	1.9
157.02913	1.6
159.04469	0.7
161.02374	2.1
163.00339	1.0
163.03925	1.8
164.01042	1.2
169.01341	3.0
171.00752	0.4
173.02342	3.7
175.00433	0.4
175.03944	0.8
178.99779	17.9
180.00171	0.6
183.00768	0.4
183.04398	0.4
185.02412	4.3
185.06029	0.4
187.03902	0.9
189.01784	1.0
192.00565	0.5
193.01314	1.1
199.00288	0.6
200.01096	0.7
201.01852	3.4
201.05478	0.7
203.03508	0.5
207.13837	0.6
211.03967	0.9
213.01833	0.5
215.03510	0.5
217.01367	1.2
225.14914	0.9
226.99823	1.6
227.03488	1.1
227.12840	1.4
228.00462	0.8
229.01385	5.3
229.05031	1.4
230.01897	0.5
243.02887	0.6
244.00108	0.8
245.00854	2.5
245.04536	1.5
254.99341	0.5
255.02940	1.1
256.03726	0.4
257.00906	2.1
257.04425	0.8
257.12933	9.9
258.13278	0.6
272.02844	0.5
273.00705	0.5
273.04007	3.0
282.98969	0.4
283.99625	5.6
284.02634	0.6
284.99808	0.5
299.01794	0.5
299.99115	5.0
300.99902	100.0
301.03534	76.7
301.16495	1.7
302.00220	7.1
302.03882	6.1
302.07220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	10.8
64.02591	0.3
65.00191	19.1
66.00520	0.4
67.01756	0.2
69.56288	1.0
79.01781	0.2
81.03346	0.3
83.01253	11.1
84.01563	0.2
91.01778	0.3
93.03332	5.5
95.01270	0.6
107.01267	27.3
108.01588	0.6
108.99219	0.3
109.02840	3.2
110.03136	0.2
115.05481	0.2
119.04890	0.2
120.02103	0.2
121.02839	23.9
122.03194	1.1
123.00753	0.3
123.99075	0.2
124.01543	0.6
125.02369	0.9
131.04884	0.3
133.02780	0.2
135.00735	0.4
135.04408	0.4
136.01570	0.3
137.02292	0.3
139.03915	2.3
143.04919	0.4
145.02835	0.7
147.00740	0.3
147.04408	0.5
148.01547	0.5
149.02341	3.5
151.00267	67.1
152.00571	2.1
157.06479	0.3
159.04417	0.9
161.02333	1.5
161.06000	0.3
162.03130	0.5
162.56819	0.2
163.00275	2.1
163.03932	1.1
164.01073	1.7
165.01790	0.3
167.04878	0.3
169.01334	3.0
169.02747	0.2
170.01646	0.2
171.04440	0.4
173.02373	0.2
173.05849	0.2
174.03075	0.3
175.03917	0.7
177.05363	0.2
178.99770	23.7
180.00122	0.7
183.04428	0.6
183.10188	0.4
185.02258	0.3
185.05949	0.4
187.03944	1.1
189.05449	0.2
189.95274	0.2
192.00534	0.4
193.01355	1.4
196.00082	0.4
197.89439	0.2
199.03857	0.5
200.04485	0.2
201.05493	1.0
203.03407	0.6
205.04974	0.5
207.90834	0.2
211.03961	1.3
212.04671	0.4
213.01770	0.2
215.03351	0.4
217.01495	0.2
217.05101	0.2
218.89790	0.2
227.03448	1.1
228.04002	0.2
229.01375	0.3
229.05014	2.0
230.02126	0.3
231.02982	0.3
239.03535	0.5
243.02921	0.7
244.03253	0.3
245.04506	2.2
255.02992	1.3
256.03360	0.7
257.04636	1.2
271.02420	0.3
272.02905	1.0
273.04028	3.5
274.04218	0.2
283.02362	0.3
283.99686	0.3
284.02982	0.5
299.01978	0.5
299.99091	0.2
301.03485	100.0
302.03827	6.4
312.38879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
52.06889	0.2
63.02264	5.4
63.20701	0.2
65.00196	9.3
79.67316	0.2
83.01254	5.5
91.01758	0.3
93.03331	2.8
93.24155	0.2
95.01261	0.4
98.20658	0.5
101.03855	0.4
107.01266	14.8
108.01533	0.4
108.99193	0.4
109.02823	3.0
117.03351	1.3
119.01291	0.5
121.02841	13.7
122.03183	0.6
124.01533	0.4
125.02324	0.5
129.03349	1.0
133.02800	0.8
135.00713	0.4
137.02429	0.2
139.03903	1.2
145.02849	3.8
145.06422	0.3
147.04381	1.1
148.01585	0.3
149.02318	2.0
151.00269	39.8
152.00578	1.5
157.02849	1.8
159.04358	0.4
161.02350	1.8
163.00270	2.3
163.03897	1.6
164.01111	1.3
165.01891	0.3
169.01314	1.7
171.00861	0.4
173.02351	3.9
175.03954	0.7
178.99774	13.9
180.00014	0.4
183.04442	0.8
184.01521	0.3
185.02357	4.9
185.05968	0.4
186.02756	0.3
187.03940	0.7
189.01846	1.7
189.05534	0.3
190.99881	0.3
191.03346	0.3
192.00629	0.7
193.01358	0.7
194.71948	0.3
199.00269	0.5
200.01082	1.0
201.01855	4.3
201.05531	0.4
203.03554	0.4
211.04054	1.3
213.01842	0.6
216.00484	0.4
217.01328	1.1
226.99739	1.3
227.03416	1.1
228.00557	0.7
228.04060	0.4
229.01379	6.7
229.05026	1.2
230.01799	0.8
240.00484	0.4
243.03009	0.6
243.10359	0.3
243.99988	0.6
245.00879	3.3
245.04538	2.4
254.99379	0.6
255.02887	1.6
256.00003	0.5
256.03476	0.3
257.00854	2.9
257.04633	0.5
262.06116	0.2
271.02460	0.5
272.02774	1.0
273.00772	0.5
273.04031	2.2
283.02399	0.7
283.99628	6.6
284.02924	0.4
285.00085	0.4
299.01962	0.3
299.99109	5.4
300.99881	100.0
301.03506	49.2
302.00220	7.7
302.03842	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	300.999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
59.60495	0.3
65.00207	0.6
69.44662	2.3
78.46510	0.3
98.19817	0.6
107.01225	0.4
109.58035	0.3
117.03339	0.7
121.02840	0.6
123.00754	1.2
124.01527	0.3
129.03378	0.7
133.02821	0.8
137.89435	0.3
138.03131	0.8
140.60678	0.3
145.02888	3.2
147.04408	0.6
151.00288	1.8
157.02853	1.0
161.02333	0.7
163.03906	1.0
173.02309	2.3
178.99765	0.8
185.02345	3.8
189.01886	0.8
189.20291	0.3
199.00346	0.6
200.01122	0.8
201.01889	3.3
217.01379	1.1
226.99753	0.9
228.00537	0.6
229.01338	4.4
243.99968	0.5
245.00897	2.3
257.00854	1.5
259.58908	0.3
273.00427	0.5
283.99664	4.4
299.99094	4.2
300.99896	100.0
302.00272	7.2
321.75220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.0
68.01286	2.9
70.99173	0.5
70.99503	0.6
71.01256	0.9
72.99191	0.4
73.02831	0.4
78.91761	0.4
82.39867	0.4
89.02298	0.5
95.04920	0.6
96.04484	0.4
110.05985	0.6
117.03355	0.4
122.02396	0.7
123.03145	5.9
124.07594	1.1
129.03366	0.4
136.07584	0.6
137.04744	1.2
138.05501	100.0
139.05835	2.9
140.85609	0.4
145.02820	0.9
146.03157	0.6
148.13068	0.4
148.82776	0.3
152.03481	0.4
152.07080	1.0
160.01563	0.4
166.08684	0.8
167.05797	1.6
168.06499	0.5
169.01352	0.5
172.01501	0.6
173.02307	0.6
180.06595	5.9
181.06888	0.4
185.02254	0.6
200.01105	0.7
210.07623	0.5
216.00447	0.7
228.00587	0.6
229.01360	0.9
243.99957	1.3
245.00977	0.5
271.99451	1.5
282.98761	0.5
283.99518	0.8
299.99088	9.9
300.10880	14.2
300.16812	1.7
300.99866	15.4
301.11136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98993	0.2
63.02269	3.0
65.00191	6.0
69.31135	0.4
69.31539	1.6
70.44656	0.2
83.01254	4.1
91.01781	0.4
93.03324	1.8
95.01251	0.3
98.20584	0.4
107.01267	10.9
108.02079	0.3
108.99207	0.2
109.02832	4.3
117.03352	0.8
119.01276	0.5
119.04913	0.4
121.02841	9.0
122.03197	0.3
123.00742	0.3
124.01497	0.4
129.03333	0.6
133.02876	0.4
135.00793	0.5
135.04468	0.3
137.02347	0.3
139.03870	1.2
145.02850	2.9
146.03558	0.2
147.04388	0.9
149.02338	1.5
150.02625	0.2
151.00269	28.6
152.00647	0.7
157.02885	1.6
159.04433	0.8
161.02383	0.7
161.05966	0.3
163.00267	2.5
163.03926	1.2
164.01001	0.7
165.01859	0.2
167.04895	0.3
169.01328	1.8
169.85500	0.2
171.00766	0.3
171.04428	0.3
173.02361	3.1
173.05965	0.3
174.03001	0.2
175.03935	0.6
178.99780	10.4
180.00099	0.2
183.04425	0.7
183.10144	0.5
185.02374	4.3
185.05968	0.5
187.03944	1.1
189.01872	1.2
190.99652	0.3
192.00551	0.4
193.01344	0.6
198.03093	0.3
199.00328	0.7
199.03917	0.3
200.01077	0.6
201.01857	4.0
201.05536	1.0
202.02361	0.3
203.03474	0.4
211.03871	1.6
212.04471	0.2
213.01894	0.7
214.02435	0.2
215.03592	0.4
216.00677	0.4
217.01353	1.3
217.04926	0.2
226.99867	1.3
227.03354	1.5
228.00563	0.8
228.04207	0.3
229.01372	6.2
229.04857	1.4
230.01921	0.3
239.03485	0.4
240.00439	0.3
240.04375	0.3
242.99243	0.3
243.02986	0.7
244.00063	0.6
245.00906	2.3
245.04483	2.5
246.01102	0.3
254.99245	0.4
255.02963	2.8
256.00259	0.3
256.03564	0.5
257.00879	2.5
257.04626	0.7
271.02536	0.4
271.99707	0.4
272.02884	1.1
273.00433	0.6
273.04010	1.8
282.99500	0.2
283.02518	0.9
283.99609	6.2
285.00021	0.3
299.99121	4.6
300.02429	0.2
300.99893	100.0
301.03513	51.1
302.00241	8.6
302.03873	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
59.01240	1.6
71.49742	0.7
84.12061	0.5
84.51863	0.4
89.00241	0.5
91.01788	1.8
95.01263	3.2
101.03850	4.0
108.02038	2.0
109.02835	4.3
117.03341	5.5
119.04926	5.0
121.02843	10.1
123.00777	1.4
123.04389	0.6
126.52309	0.5
137.02374	2.0
138.03125	58.6
138.05399	1.2
139.03459	2.1
145.02853	100.0
146.03191	4.4
153.05476	81.6
154.05829	2.8
163.03925	0.8
165.01891	2.4
177.05475	0.6
180.05716	0.7
193.06465	0.6
207.78549	0.5
211.04070	0.8
223.20627	0.7
224.04753	1.7
225.11423	0.6
237.05550	2.9
238.06297	2.6
239.03447	1.1
239.07085	1.3
252.04277	2.8
255.06606	2.0
267.06622	14.1
268.07117	1.1
270.98785	1.0
283.24649	0.5
284.03259	4.9
299.02527	0.7
299.05603	3.0
299.09305	5.0
299.16531	41.2
299.25790	7.3
300.16818	2.9
310.01840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0922
Annotation	6,7-Dihydroxy-2,3,4-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.80802	0.4
59.01237	1.5
65.93485	0.4
67.32622	0.3
73.91782	0.3
83.04886	0.4
93.03366	0.4
98.20679	0.8
117.03336	3.7
119.04919	1.4
121.02840	1.1
123.04337	0.4
126.04948	0.4
138.03108	0.6
138.05510	1.0
145.02855	17.2
146.03098	0.9
147.54579	0.5
153.05463	1.0
155.04855	0.7
161.02364	0.7
162.03111	0.5
163.03914	0.6
167.04904	0.9
171.04417	1.4
173.02336	0.5
173.05916	0.5
174.03091	0.7
182.03691	1.0
183.04442	8.0
184.04880	0.5
185.00687	0.5
187.03967	0.6
193.06534	1.6
195.04437	2.9
196.05083	0.5
198.03120	1.3
199.03955	2.8
201.05437	0.8
204.05589	0.5
208.05249	2.4
210.03163	2.0
211.03937	21.4
212.04308	1.5
213.05479	0.6
217.00253	1.0
220.05333	0.4
221.06006	6.0
222.03133	0.6
222.06506	1.0
223.07571	2.0
224.04716	3.8
226.02682	1.9
226.06285	0.7
227.03429	7.3
228.04010	0.7
235.03992	1.0
237.05505	0.5
238.02628	2.9
239.03453	80.8
239.07260	2.1
240.03810	6.4
240.07549	0.7
248.04677	3.0
249.05516	4.9
250.06090	0.6
251.06833	0.5
252.04260	0.4
255.02960	10.8
256.03442	1.4
267.06558	0.9
269.08105	0.9
270.05338	9.9
270.98944	1.0
271.05948	1.2
284.03345	2.3
284.06381	0.5
299.09229	100.0
299.16516	27.7
299.25827	1.2
299.99173	0.8
300.09592	9.6
300.17056	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.9
62.83225	0.5
65.00202	0.8
70.15252	2.3
74.16908	0.5
91.01792	1.9
92.99197	0.5
95.01248	2.6
96.78160	0.5
97.02870	0.5
101.03825	3.2
108.02063	2.2
109.02818	3.8
117.03368	2.1
119.04910	4.8
121.02837	10.9
122.03178	0.5
123.00760	1.1
137.02347	2.2
138.03120	64.8
139.03445	2.2
145.02847	100.0
146.03166	4.5
153.05469	94.7
154.05843	4.2
159.46634	0.4
165.01843	4.2
166.64145	0.5
177.05502	1.5
191.71684	0.5
193.06474	1.2
224.04709	1.3
224.43102	0.5
237.05502	5.0
238.06337	2.7
239.07198	2.5
252.04250	3.1
252.06462	0.6
255.06500	1.7
267.06613	16.2
268.07010	1.3
269.04468	0.6
270.98727	0.7
284.03268	1.1
299.02573	1.3
299.09244	3.8
299.16501	16.5
299.25906	0.7
299.98978	0.9
300.16660	1.1
323.47055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	6,7-Dihydroxy-2,3,4-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01242	1.4
59.18811	0.4
59.97784	0.4
64.26231	0.4
64.56763	0.4
65.60802	0.4
71.01245	0.9
93.03302	0.6
98.19781	1.0
99.04391	0.4
108.45342	0.4
112.19819	0.4
117.03339	5.1
119.04915	1.6
121.02831	1.5
123.04372	0.5
126.11414	0.3
137.02354	0.7
138.03081	1.1
138.05484	1.5
145.02849	23.2
146.03180	0.5
151.00232	0.5
151.81776	0.4
153.05466	1.4
161.02303	1.6
162.03102	0.6
163.03821	0.6
171.04420	0.5
173.02420	0.7
174.03146	1.2
180.05656	0.5
182.03603	2.0
183.04419	4.2
185.00717	1.4
187.03889	0.9
193.06540	3.4
195.04482	2.8
196.05147	0.6
198.03165	1.0
199.04001	1.1
201.05449	1.6
205.06500	1.2
208.05190	4.6
209.05803	0.5
210.03157	3.2
211.03931	12.7
212.04427	0.7
217.00278	1.0
220.05225	1.4
221.06001	10.6
222.03255	0.6
222.06601	2.1
223.03986	0.8
223.07539	2.0
224.04724	6.5
225.05415	0.5
226.02614	1.5
226.06299	0.5
227.03438	5.1
228.04156	0.8
232.05225	0.5
235.03958	1.7
237.01839	0.9
237.05608	1.1
238.02675	4.2
239.03448	42.1
239.06950	4.7
240.03885	3.3
240.07556	0.8
242.99471	0.5
248.04745	6.5
249.05504	8.8
250.06248	2.7
251.07022	0.4
252.04121	0.9
253.05099	0.4
255.02980	7.2
256.03601	1.2
267.06638	1.0
268.07327	0.5
269.08212	0.7
270.05344	4.6
270.98773	0.6
271.06030	0.9
284.03296	3.6
299.09219	100.0
299.16498	30.9
299.25790	1.3
299.99094	0.8
300.09598	10.0
300.16983	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	299.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
70.26474	0.6
71.60795	0.2
83.04890	0.3
86.67958	0.1
92.68211	0.1
93.03329	0.5
117.03349	1.0
119.04911	100.0
120.05244	3.4
121.02839	0.5
133.02805	0.2
138.03134	0.2
138.05505	0.5
145.02852	5.0
146.03235	0.2
149.02344	0.2
153.05423	0.3
210.01540	0.2
217.00363	0.2
255.02991	0.2
269.04599	0.3
270.98795	0.4
276.07690	0.1
284.03271	1.2
284.06412	0.2
298.98331	0.4
299.02100	0.3
299.05753	1.0
299.09216	12.9
299.16467	7.4
299.25632	0.4
299.98920	0.4
300.09528	1.4
300.16730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.048
Annotation	3'-hydroxy-biochanin A
Peak:m/z	Relative Intensity
59.01247	1.2
63.02254	1.3
65.00184	1.3
83.01258	0.6
89.02308	0.6
89.02885	0.2
91.01756	0.3
92.99681	0.2
93.03331	0.8
96.95870	0.6
107.01272	1.9
113.02328	0.2
115.97284	0.2
117.03334	5.0
119.04832	0.2
120.99153	0.2
121.02817	0.6
123.04392	0.5
124.01528	0.5
133.02811	0.5
135.00778	0.7
139.03886	1.5
141.03360	1.0
143.04881	0.4
145.02869	2.9
151.00253	1.6
155.04921	2.1
159.04413	2.6
162.03116	0.7
167.04936	0.8
169.01379	0.3
169.02885	0.4
171.04382	1.1
173.05907	0.4
177.05508	0.3
182.03639	1.7
183.04431	10.8
184.04796	0.6
185.02376	1.7
187.03926	0.7
197.02394	0.3
199.03915	1.2
209.02312	0.4
210.03134	0.3
211.03934	6.6
212.04237	0.4
213.01826	0.9
217.00308	0.2
226.02660	1.2
227.03438	4.9
228.03741	0.3
237.01852	0.3
239.03360	0.4
241.05075	0.4
254.02318	0.3
255.02951	73.0
256.03296	4.3
269.04413	1.2
270.05008	0.4
270.98871	0.4
283.02451	100.0
284.02829	7.6
297.24380	0.8
298.04800	53.8
298.24445	0.4
298.98203	0.3
299.01755	0.4
299.05154	4.8
299.13144	0.8
299.16397	4.6
308.50281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36318	0.3
59.01230	0.4
63.34410	0.3
65.11777	0.3
66.80474	0.4
79.95644	0.4
85.89017	0.3
107.01273	1.1
117.03352	1.1
121.63272	0.4
132.02045	1.1
135.00760	1.4
145.02849	3.0
151.00299	1.1
163.00269	0.9
164.00986	0.5
183.04454	1.7
185.02373	0.7
187.03877	0.5
199.03958	0.7
205.19672	0.4
211.03835	2.2
227.03450	57.3
228.03828	3.3
240.04306	0.6
254.85423	0.4
255.02965	85.2
256.03482	8.9
270.98926	0.9
271.02362	0.5
272.02747	0.4
283.02234	0.4
284.03250	100.0
285.03568	6.6
299.05597	52.2
299.16422	4.4
299.25882	1.0
299.98975	0.7
300.02771	0.6
300.05951	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	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
50.51953	1.2
55.01749	1.8
57.03312	1.7
58.00462	4.2
59.01247	100.0
70.77661	4.6
71.01252	55.4
72.99168	6.9
73.02810	7.5
75.00742	22.4
79.34645	1.2
81.03311	1.4
83.01241	3.4
85.02836	18.4
87.00745	3.5
89.02312	50.0
95.01250	3.5
99.00773	3.0
101.02316	29.0
109.02821	1.6
113.02325	18.1
117.01824	2.4
117.05491	2.7
119.03388	19.5
125.02302	1.8
131.03386	1.8
135.02895	35.6
135.04399	20.4
135.05379	2.2
135.05574	1.8
135.06519	18.3
136.04774	2.1
143.03348	2.9
159.02901	2.5
161.02347	2.3
161.04449	12.8
179.03358	4.7
179.05527	10.6
237.09763	2.4
277.74899	1.5
297.08234	14.7
297.11829	31.8
297.24246	5.8
308.99747	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.72229	0.6
58.00449	0.7
58.53192	0.7
59.00959	1.1
59.01248	19.6
71.01244	8.5
71.50902	0.8
73.02819	1.3
81.20020	0.7
85.02823	2.8
89.02317	9.1
101.02309	5.4
113.02316	3.5
118.12675	0.8
119.03397	3.8
119.04874	0.8
129.32567	0.7
135.04425	1.2
135.06523	3.6
141.12773	1.1
155.10669	15.4
157.70836	0.6
161.04454	1.9
162.33949	0.7
171.10150	1.0
173.26857	0.8
179.05545	2.6
180.86519	0.7
183.01125	10.6
237.09792	1.9
279.23264	13.6
280.23581	1.1
295.23047	1.5
297.07733	1.4
297.11850	5.8
297.15262	18.3
297.24326	100.0
298.15695	2.0
298.24673	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	297.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
71.01251	1.5
71.51256	0.6
85.02829	0.5
89.02303	1.5
101.02311	0.7
111.53056	0.3
113.02344	0.7
119.03349	1.0
135.02902	0.6
135.04330	0.4
135.06531	0.4
155.40889	0.3
166.65236	0.3
179.05492	0.3
186.76060	0.4
196.05255	0.5
197.09624	0.6
224.04689	1.1
225.09174	1.1
225.23373	0.4
258.00925	0.3
282.07022	12.3
283.07382	1.2
297.09384	100.0
297.24240	1.0
298.09708	7.4
298.12912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Picein
Peak:m/z	Relative Intensity
57.03054	0.6
57.03324	10.1
59.01249	10.9
69.03327	0.9
69.80496	1.1
69.80898	2.2
70.50830	0.4
71.01248	2.4
72.49585	0.4
72.99162	0.7
80.58072	0.5
81.03338	0.8
82.27583	0.5
83.01274	0.7
85.02831	0.7
89.02313	2.5
91.01771	1.3
92.76720	0.5
93.03307	0.5
93.54362	0.5
98.20535	0.9
99.04393	30.1
100.04716	0.5
101.02324	1.8
108.02040	2.5
113.02344	0.7
113.05951	1.4
119.03394	0.9
121.02837	4.2
123.04408	5.9
134.03659	2.9
135.04414	30.7
135.06526	1.2
136.04764	1.1
149.05989	1.3
160.05209	1.7
162.03163	3.1
163.03912	1.3
176.04688	0.6
176.08386	3.1
176.09621	0.5
177.05496	48.7
178.06276	25.7
178.07880	1.0
179.06744	0.9
191.10669	0.7
193.08633	100.0
194.08957	6.9
226.11778	0.5
235.09714	23.0
236.10045	1.1
237.07642	12.9
238.07974	0.7
254.18889	0.4
263.02979	0.4
297.09689	13.8
297.24356	1.6
298.10138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14408	1.6
51.21467	1.5
55.01767	2.2
55.03870	1.3
57.03323	1.8
57.49102	1.4
58.00465	2.2
59.00955	3.1
59.01247	50.1
62.50576	1.3
66.27246	1.4
69.72124	3.5
69.72538	5.6
71.01250	39.4
72.99181	5.2
73.02811	6.5
73.79245	1.7
75.00743	43.3
78.95796	1.9
83.01253	2.8
85.02812	10.5
87.00740	8.9
89.01772	1.6
89.02309	33.1
96.95887	2.2
99.00742	8.5
101.02313	28.7
113.02332	13.6
117.01807	9.2
119.03381	14.2
123.05544	1.7
135.02893	2.9
135.06514	2.9
143.03450	1.5
149.00902	1.5
152.68336	1.7
161.04472	3.4
179.05525	2.8
199.38052	1.4
216.90567	3.0
237.06070	12.4
252.09419	1.7
279.07196	2.0
297.08249	100.0
297.11539	4.6
297.24329	12.3
298.08609	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	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14408	1.6
51.21467	1.5
55.01767	2.2
55.03870	1.3
57.03323	1.8
57.49102	1.4
58.00465	2.2
59.00955	3.1
59.01247	50.1
62.50576	1.3
66.27246	1.4
69.72124	3.5
69.72538	5.6
71.01250	39.4
72.99181	5.2
73.02811	6.5
73.79245	1.7
75.00743	43.3
78.95796	1.9
83.01253	2.8
85.02812	10.5
87.00740	8.9
89.01772	1.6
89.02309	33.1
96.95887	2.2
99.00742	8.5
101.02313	28.7
113.02332	13.6
117.01807	9.2
119.03381	14.2
123.05544	1.7
135.02893	2.9
135.06514	2.9
143.03450	1.5
149.00902	1.5
152.68336	1.7
161.04472	3.4
179.05525	2.8
199.38052	1.4
216.90567	3.0
237.06070	12.4
252.09419	1.7
279.07196	2.0
297.08249	100.0
297.11539	4.6
297.24329	12.3
298.08609	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	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99552	0.5
56.73479	0.5
57.03333	0.9
59.01250	14.1
60.40503	0.5
68.95596	0.5
69.50712	4.3
71.01252	7.9
71.06850	0.5
72.99184	2.5
73.02831	1.3
75.00746	25.0
83.01258	0.9
85.02834	2.1
87.00753	1.2
89.02314	12.3
99.04381	0.6
101.02323	4.2
107.04929	0.6
113.02309	3.6
115.00205	0.7
117.01832	1.2
119.03387	3.3
121.24037	0.6
133.02855	1.3
134.03653	1.3
135.02888	100.0
135.04370	10.2
135.06490	2.9
136.03198	1.5
145.04745	0.7
161.02345	4.1
161.04466	1.4
179.03418	6.6
179.05492	1.3
193.08632	2.0
237.09717	1.0
297.11847	5.8
297.24326	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03316	1.0
59.01255	2.9
60.36127	0.3
67.66193	0.3
71.01243	0.6
83.04894	0.3
94.18346	0.3
94.71959	0.3
97.06470	0.4
99.08002	0.6
101.02315	0.4
113.09612	2.3
121.06381	0.3
171.10175	0.7
177.12801	0.6
179.14343	1.2
181.12201	0.4
195.13837	18.4
196.14195	1.3
251.23555	0.3
259.20602	0.3
277.21725	18.0
278.21970	1.6
290.87454	0.3
295.22769	100.0
296.23105	8.5
296.26382	0.6
315.80222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.20033	0.5
57.03327	0.7
59.01241	2.5
71.01248	0.6
71.50462	1.0
79.93498	0.5
86.61334	0.4
91.19092	0.4
97.06501	0.7
98.40178	0.4
99.08031	0.7
103.82192	0.4
114.07635	0.5
115.38765	0.4
125.09605	1.1
127.11201	1.2
141.12679	0.9
155.10692	0.9
171.10184	36.6
172.10513	1.4
183.10202	4.0
195.13879	2.3
229.96031	0.5
277.21719	46.7
278.22003	3.7
295.22769	100.0
296.23123	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
58.00447	1.4
59.00956	2.2
59.01244	34.1
64.43318	1.1
68.10181	1.1
71.01244	9.6
71.49991	1.9
72.99167	2.8
73.02784	1.2
80.96416	2.0
83.01261	2.0
84.58913	1.2
85.02818	2.1
89.02303	3.9
93.03313	4.0
95.04892	1.9
101.02309	5.3
104.25989	1.1
105.03339	3.2
107.04891	1.2
109.02820	1.9
112.44793	1.2
113.02339	1.4
115.00221	1.4
117.10821	1.3
119.03326	1.4
119.04901	2.8
121.02848	7.0
132.02057	17.9
133.02855	20.7
133.04933	1.4
133.06476	3.4
134.03627	56.1
135.04433	6.8
136.01544	2.9
137.02301	4.9
141.79210	1.1
147.04416	17.6
148.05225	7.3
149.02339	18.9
149.05984	24.9
151.03899	3.1
152.01086	6.2
153.05421	1.7
160.01561	100.0
161.01985	4.4
161.04677	1.5
161.05981	17.2
162.03067	2.0
163.03896	7.7
163.07550	1.6
164.04684	13.7
165.01826	3.5
169.04968	2.6
174.03148	1.7
175.00511	5.9
175.03920	98.7
176.04691	37.2
177.01843	9.3
177.05229	3.1
178.02597	5.6
179.03381	2.9
179.07062	8.3
189.12685	2.4
190.02713	8.6
191.03415	2.8
191.07065	66.9
192.04204	2.7
192.07413	4.5
193.01344	14.1
193.04985	55.5
194.05363	2.3
202.02576	2.2
205.04958	9.5
206.05714	1.5
207.06543	5.0
208.03694	27.5
217.04993	4.5
220.03703	9.6
221.04286	2.5
221.08112	2.7
223.06064	62.5
224.06396	3.9
235.06070	86.2
236.06407	4.6
237.07318	1.9
251.09268	3.5
251.12814	3.8
280.05783	2.7
292.03738	1.3
295.08163	44.0
295.11331	2.0
296.08420	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03320	1.8
59.01254	9.1
64.17556	0.8
64.81979	0.8
71.01238	3.0
71.49352	1.2
85.02805	1.5
89.02303	1.4
101.02293	1.7
103.55954	0.8
113.02303	0.8
113.09580	3.4
133.04948	1.6
135.00829	1.1
161.04399	1.1
177.12775	0.9
179.14375	0.9
183.13792	2.9
195.13821	26.8
196.14136	1.4
213.56102	0.8
277.21692	20.1
278.22058	1.6
295.10318	2.4
295.22766	100.0
296.23148	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
60.12426	0.8
68.32954	1.0
78.35223	0.9
88.03165	0.8
91.27705	0.8
116.16109	1.0
190.63669	0.8
195.13866	13.2
205.12291	1.1
223.13338	10.4
224.13861	1.0
228.13562	1.9
256.13113	5.3
256.73557	0.9
265.21655	1.2
275.20190	9.3
293.21225	100.0
294.21561	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
56.09222	1.6
59.01230	7.8
59.30239	1.6
70.53205	7.6
71.01254	4.0
89.02321	2.1
121.09295	3.8
121.10120	49.9
121.74876	1.9
122.10443	2.4
125.09534	3.0
138.59277	1.8
141.84489	1.9
171.10191	83.6
171.15967	1.7
172.10579	3.3
183.13826	2.2
185.11734	4.8
195.13850	3.3
220.14632	2.3
221.15388	2.2
231.21101	7.6
236.10564	2.1
275.20145	100.0
276.20413	10.0
293.08804	3.5
293.21207	78.8
293.24524	4.2
294.21405	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
57.03322	5.1
58.08332	0.4
59.01237	3.2
70.37156	1.2
71.01251	0.9
82.09875	0.4
83.04861	0.6
85.01380	0.4
85.02842	0.5
85.06459	0.6
87.41734	0.5
89.02332	0.5
97.06469	1.2
106.63051	0.4
109.06463	1.0
113.09604	18.5
114.09940	0.4
121.10104	3.4
125.09608	1.1
131.04588	0.4
139.11217	1.9
149.09599	0.8
153.09088	0.5
165.84138	0.4
167.10674	2.0
171.10184	5.9
177.12767	0.8
177.77072	0.4
179.10683	2.1
179.90921	0.4
185.11734	1.5
195.13838	2.8
197.11604	0.5
221.15215	0.5
231.21124	0.7
249.22185	2.0
249.43742	0.4
275.20160	8.2
276.20609	0.7
293.21207	100.0
294.21558	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	293.2121
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03309	1.7
59.01244	1.9
60.64434	0.4
67.16312	0.4
71.01259	2.1
73.02833	0.5
82.30608	0.4
83.01279	0.5
85.02819	0.7
89.02322	1.4
96.95884	0.6
97.02836	0.5
97.06466	1.0
98.19765	1.2
113.02335	0.5
113.09583	0.6
115.13622	0.4
121.10169	0.5
123.08060	0.7
125.09613	4.4
131.03433	0.4
133.33449	0.4
141.12720	1.3
149.09631	1.8
161.04454	1.2
183.13737	0.5
185.11740	9.0
186.12151	0.7
195.13826	0.8
197.11708	2.9
220.14618	0.7
221.15398	1.6
223.13359	0.7
226.18436	0.4
236.10495	1.3
249.22191	0.7
275.20166	1.2
293.08936	2.2
293.21207	100.0
294.21500	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55146	0.2
59.01236	0.7
69.22555	1.2
69.22977	1.0
69.48245	0.2
71.01249	8.0
72.99200	0.2
75.32529	0.2
77.26141	0.2
89.02296	0.6
100.91969	0.2
101.02336	0.2
105.38535	0.2
113.02350	0.3
113.28967	0.2
113.75489	0.2
127.07520	1.0
148.05190	1.6
151.07553	0.5
161.04486	0.3
163.07587	0.2
164.08316	1.4
177.09113	4.8
190.09799	0.4
191.10721	0.3
192.11473	7.7
193.12051	0.6
195.13759	0.3
205.12279	7.0
206.12659	0.6
207.13820	1.9
217.08633	0.7
218.09398	2.2
220.10161	0.4
220.14624	50.2
221.15396	100.0
222.15747	6.6
223.13315	0.4
235.13364	1.1
236.10487	70.1
237.10870	4.7
255.49556	0.2
264.06607	0.4
265.07428	0.7
276.10046	0.5
276.12939	0.2
279.09033	0.6
293.08603	0.4
293.17578	7.6
293.21155	2.4
294.11325	1.3
294.17929	0.7
294.21011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19758	0.6
57.03320	4.9
59.01244	4.8
70.11587	0.5
70.25364	2.4
71.01250	1.6
71.04887	2.5
85.06462	0.6
87.04420	0.9
89.02303	0.9
104.43938	0.5
109.06511	0.6
113.09599	12.8
139.11195	1.0
142.31415	0.6
167.10707	1.2
179.10701	1.4
195.13794	1.9
209.15385	1.5
211.01067	0.6
220.14381	0.7
221.15472	3.3
222.15779	0.8
223.16969	3.3
231.21127	1.7
235.16989	22.5
236.10509	1.1
236.17357	1.8
249.22191	0.9
275.20139	21.1
276.20401	1.7
293.08908	8.9
293.21207	100.0
294.08835	1.2
294.21591	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
58.00451	1.6
59.01248	47.2
63.05540	0.5
63.45801	0.5
69.78176	1.3
69.78593	1.9
71.01254	24.3
72.99191	1.9
73.02812	2.2
83.01250	3.1
85.02821	4.7
85.06460	19.7
86.06814	1.0
87.00735	1.7
89.02316	25.0
95.01266	2.4
99.00789	0.6
101.02319	17.2
102.96655	0.5
113.02337	10.1
113.05985	4.8
115.07525	2.3
119.03394	10.7
127.07533	2.4
131.07031	78.4
132.07372	2.5
161.04472	1.3
173.08127	3.0
179.05548	1.0
193.58917	0.7
293.12415	100.0
294.12714	6.0
299.64191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70176	0.5
55.01757	1.1
57.03336	0.7
58.00453	1.6
59.01248	33.4
64.24773	0.4
64.61197	0.4
66.73148	0.4
69.63812	0.5
70.03007	0.9
70.03419	1.5
71.01252	17.2
72.99181	1.9
73.02830	1.5
74.16203	0.5
83.01256	2.0
85.02816	4.3
85.06460	13.3
87.00743	1.1
89.02313	17.6
95.01252	1.4
98.20727	0.6
101.02318	11.0
113.02332	6.2
113.05952	3.1
115.07531	2.0
119.03383	7.7
127.07544	1.5
131.07034	53.1
132.07361	1.7
134.66850	0.4
138.42560	0.4
143.03424	0.6
149.04471	0.8
149.16464	0.5
155.67159	0.4
161.04442	1.2
173.08121	1.7
179.05478	0.9
181.91957	0.4
293.12424	100.0
294.12759	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01759	2.1
57.03327	1.9
58.00451	4.5
59.01249	59.7
61.91873	1.4
65.00208	2.3
67.01753	2.9
68.99675	1.3
69.03322	10.5
69.91337	5.6
71.01253	73.7
72.99191	7.9
73.02819	27.3
75.00739	3.5
79.01752	1.5
81.03322	6.4
83.01253	7.0
85.02818	12.0
87.00723	3.8
89.02314	64.5
95.01260	10.8
96.95885	2.8
97.02818	15.0
99.00758	26.0
99.04443	1.3
101.02323	24.6
107.01260	5.2
111.00774	10.4
113.02358	7.0
115.03878	7.9
119.03415	2.4
121.02838	37.6
123.00769	29.5
123.04371	4.7
124.01067	1.4
124.01578	2.4
125.02334	95.5
126.02664	3.9
127.00285	2.3
131.03397	5.3
131.06993	1.6
133.02832	2.1
134.03625	6.1
135.04410	3.9
136.98714	3.8
137.02335	2.8
139.00243	11.5
140.01067	11.5
141.01814	3.7
143.03426	5.3
149.04446	6.5
151.00285	7.5
151.03947	2.2
153.01816	1.6
154.99806	1.8
161.04446	3.3
166.99777	4.7
168.00548	12.4
169.01334	58.2
170.01668	3.7
177.01881	2.6
178.02644	4.5
179.03339	1.6
189.01877	1.6
189.05577	2.2
191.05556	6.5
204.99556	1.7
205.01340	1.6
217.04915	1.7
233.06569	10.0
249.07607	1.8
275.03604	1.8
292.54422	9.0
293.04807	100.0
293.08450	7.3
293.12250	2.6
293.17551	5.3
293.21039	2.5
293.55020	31.2
294.05191	5.1
313.05643	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	293.0819
Annotation	Abyssinone I
Peak:m/z	Relative Intensity
51.98799	0.3
59.01243	1.3
66.61261	0.3
69.18740	0.4
69.19146	3.0
71.01255	0.7
71.58639	0.4
89.02319	0.8
93.03327	14.5
98.20609	0.8
101.02325	0.4
108.75721	0.3
112.36272	0.4
117.03355	2.8
119.04931	0.8
121.46405	0.3
130.04205	0.5
131.04932	0.9
143.04904	0.6
145.02792	0.6
145.06558	0.3
147.04414	0.3
148.01552	0.4
160.01558	0.9
161.02332	0.5
161.04451	0.7
163.03911	2.0
171.04434	1.8
173.02356	2.3
174.03130	50.4
175.03899	11.0
176.04294	0.5
182.03700	1.1
187.03949	1.5
198.03134	1.0
199.03932	11.0
199.05782	0.7
200.04547	1.4
231.08119	1.4
232.05255	0.8
233.05949	0.5
246.06702	0.5
247.07549	0.7
249.05562	0.9
249.09244	0.4
250.06261	0.8
260.04752	1.7
261.05469	0.6
274.06372	2.3
275.07117	22.1
276.04626	0.5
276.07504	2.1
277.05020	5.9
278.05814	27.4
279.06192	2.2
291.06674	1.7
292.07404	4.5
293.08182	100.0
294.08496	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01761	2.6
55.53709	0.6
56.64961	0.6
57.03332	1.3
58.00477	4.0
59.01251	86.8
61.86771	0.6
67.01756	1.2
69.03325	10.9
69.10065	0.6
69.34914	5.0
71.01252	90.3
72.01611	1.4
72.99173	4.6
73.02818	40.7
74.33670	0.6
75.00764	2.9
81.03332	5.6
83.01260	6.3
85.02825	17.3
87.00764	2.1
87.04388	1.0
89.02316	100.0
90.02657	1.3
95.01262	5.4
97.02825	20.5
97.58043	0.6
99.00755	40.3
99.04401	1.4
101.02322	39.5
102.02686	1.1
107.01271	0.9
107.33775	0.7
109.02864	0.8
111.00755	1.8
113.02342	6.4
113.52038	0.6
115.03887	12.7
117.01879	0.7
119.03423	0.7
122.19575	0.6
125.02334	40.3
126.02662	1.4
127.03874	0.8
131.03398	8.1
132.03809	0.7
134.03632	0.8
143.03397	6.7
149.04454	6.5
159.07542	0.6
161.04442	3.3
175.06017	0.7
191.05528	11.7
212.08073	0.6
233.06613	13.0
234.06927	0.6
243.32870	0.7
268.52362	0.7
293.04593	0.8
293.08655	4.5
293.14029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01247	1.3
80.85754	0.3
83.04918	0.4
84.28079	0.5
92.47783	0.4
93.06949	1.2
97.06470	1.6
98.20650	1.0
118.91132	0.4
119.04916	0.7
121.02878	0.5
121.10117	15.0
122.10480	0.8
123.08025	1.0
125.09615	7.8
139.11185	0.4
141.12729	1.2
147.08063	0.9
165.12727	0.8
175.03903	0.7
185.11754	17.0
186.12094	0.5
197.11775	4.5
203.03470	0.8
209.11748	1.3
211.13324	1.6
223.13326	1.0
229.65562	0.5
247.02426	3.2
247.13361	0.7
247.20692	0.8
248.02882	0.6
262.04840	0.4
273.18646	1.8
289.18024	0.4
291.01233	0.9
291.19656	100.0
292.02182	0.7
292.20016	9.2
299.99017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.51709	0.3
52.84679	0.3
59.01256	0.6
69.39598	2.3
73.02817	57.7
74.03146	1.3
82.87977	0.3
140.17873	0.3
140.19090	0.3
145.52992	0.3
168.59210	0.3
175.00301	0.3
175.03914	1.0
203.03436	0.7
247.02408	3.1
291.19656	100.0
292.19980	10.6
299.99084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44025	0.6
57.03319	2.0
59.01239	2.8
65.83850	0.6
70.88606	0.8
70.88953	1.4
71.04884	1.9
72.87977	0.6
80.55169	0.6
87.72238	0.5
90.62688	0.5
93.06934	1.1
95.04852	0.6
97.06490	2.9
105.27814	0.7
117.11922	0.6
119.04900	0.8
119.08553	4.4
121.02823	0.7
121.10107	12.7
123.08073	1.5
125.09601	7.7
137.09576	0.9
141.12738	0.8
147.04393	0.7
147.08054	0.8
148.08829	0.8
155.98688	0.5
162.42281	0.6
165.12732	1.0
171.10143	3.5
175.03931	1.6
185.11757	15.5
191.03403	0.7
197.11761	4.4
203.03499	0.9
209.11777	1.7
211.13341	1.7
229.19495	2.8
247.02461	5.1
247.17119	0.7
247.20689	3.0
273.18582	5.7
274.18741	0.8
291.01437	1.0
291.19644	100.0
292.02292	0.8
292.16840	1.1
292.19971	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46290	0.4
55.61125	0.4
57.03315	1.8
59.01249	2.7
70.98489	0.7
70.98821	0.9
71.01263	0.6
71.04868	0.9
78.50845	0.4
79.65540	0.4
83.04907	0.9
93.04654	0.5
95.04903	1.0
97.06530	0.7
109.06528	0.7
111.08045	12.0
113.09621	0.9
121.06437	0.5
121.91217	0.4
132.83098	0.5
135.86084	0.4
137.09660	0.6
149.09651	0.6
165.12796	0.6
167.10687	2.3
177.12802	1.7
179.10710	2.3
195.13846	6.9
204.92189	0.5
247.02467	1.1
247.20680	2.5
273.18634	2.0
277.57434	0.4
291.19656	100.0
292.20007	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01236	0.4
68.23440	0.3
80.45086	0.3
83.21416	0.3
95.04925	0.3
95.87838	0.3
102.52057	0.3
103.06966	0.3
119.04861	0.3
125.05969	0.6
148.08789	1.3
150.10396	0.6
151.11209	0.5
163.11169	1.0
165.12756	22.4
166.13127	1.0
166.67342	0.3
175.03955	0.7
175.11153	0.7
176.11957	0.7
177.12695	0.3
179.14371	0.5
191.14410	0.8
215.39450	0.4
217.15936	0.8
223.13329	0.5
247.02403	1.5
247.20651	10.2
248.20984	1.1
271.17535	0.4
273.18591	6.7
274.18976	0.8
286.37335	0.4
291.19656	100.0
292.19962	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	291.0146
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
71.07381	0.7
71.07698	1.0
72.61712	0.5
79.20255	0.5
82.33237	0.5
91.03159	0.5
104.17673	0.5
105.03303	0.5
108.52827	0.6
116.38240	0.5
119.04910	1.8
133.02841	0.6
138.98038	0.5
145.02901	2.5
147.04434	2.7
163.03891	2.0
169.52991	0.5
173.02361	2.7
175.03908	2.1
190.02629	2.2
191.03415	8.5
203.03441	1.5
206.24901	0.6
219.02896	4.0
247.02444	100.0
248.02773	8.5
291.01465	16.5
291.07703	1.4
292.01785	1.5
302.33347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79114	2.1
91.05406	3.4
92.44316	0.8
103.05426	1.9
105.03345	16.1
111.97518	0.8
115.05373	1.1
119.04914	14.3
121.02845	2.1
130.04124	2.4
131.04898	5.3
132.02075	1.7
133.02852	1.8
136.71169	0.9
145.02864	2.9
146.03558	1.2
147.04411	30.0
148.04753	1.2
149.02260	1.1
158.03648	4.8
159.04424	10.0
160.01544	0.9
161.02339	1.8
173.02303	1.8
174.03146	2.6
175.03917	100.0
176.04230	6.4
177.05469	9.0
190.02762	1.0
191.03387	3.4
203.03423	59.5
204.03780	4.4
212.91153	1.0
221.04474	13.8
227.28839	1.0
247.02440	87.1
248.02760	5.4
273.00378	1.1
291.01459	27.2
292.01730	2.4
302.61914	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21065	0.8
57.03331	4.8
62.39445	0.7
63.58138	0.9
69.73515	4.9
80.02526	1.2
81.03339	5.7
83.01255	5.7
93.03333	3.0
95.01262	1.4
95.04893	7.2
97.02835	11.3
108.02035	1.7
109.02837	45.6
110.03215	1.0
111.04404	1.0
121.02820	4.5
122.03612	1.6
123.04408	31.8
124.04742	0.9
125.02335	32.9
126.02691	1.1
127.85182	0.8
133.02852	1.0
135.02843	1.1
135.04425	2.9
137.02338	17.2
138.03101	1.6
139.03938	6.0
143.75592	0.8
145.02829	2.8
146.03667	1.4
147.04494	0.9
149.02341	8.0
150.03096	1.7
151.03912	16.0
159.04416	5.2
160.05205	2.2
161.02345	2.4
161.05980	6.5
162.03091	2.5
163.03873	2.3
164.01088	5.6
165.01833	6.8
166.02617	1.0
167.03441	2.9
170.52484	0.9
173.05957	1.7
174.03165	1.2
175.03868	3.8
175.07552	3.6
177.05521	1.5
179.03458	11.0
180.04063	0.8
185.05913	1.8
187.03926	8.1
188.04747	6.4
189.09648	0.8
190.02676	1.2
202.06253	4.1
203.07080	23.0
205.04980	13.4
205.11722	0.9
206.05296	0.8
212.04770	1.2
217.01408	1.0
221.08182	7.1
227.07005	4.8
230.05923	1.1
231.03006	1.1
233.75427	0.9
245.08163	32.4
246.01732	1.8
246.08452	2.5
247.06055	1.9
271.06012	1.6
280.94543	0.9
289.07166	100.0
290.07605	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.35766	1.5
50.67241	1.4
57.03318	7.0
59.01241	4.5
60.60378	1.3
64.40314	1.3
64.90314	1.3
69.37827	12.5
71.01242	5.0
75.00777	1.6
80.02565	1.3
81.03325	3.9
83.01262	4.1
88.95001	1.8
89.02309	1.5
93.03342	2.0
95.04908	6.1
97.02827	10.6
98.19838	3.2
108.02052	2.3
109.02837	44.0
109.34489	1.3
110.03146	1.6
115.00214	1.8
119.04896	6.8
121.02818	6.6
123.04405	29.4
125.02333	28.1
133.02887	1.9
135.02917	8.7
135.04431	8.0
137.02351	14.2
139.03925	4.1
145.02866	3.7
146.03676	2.1
149.02362	7.8
150.03152	2.3
151.03926	10.6
156.90407	1.3
159.04411	2.7
160.05128	3.0
161.05954	7.4
162.03151	2.1
163.03932	5.9
164.01050	4.6
165.01843	6.8
166.02475	1.7
167.03412	2.7
173.05995	2.0
175.03911	3.0
175.07564	3.9
179.03484	12.8
185.05963	1.6
187.03964	6.8
188.04718	6.0
202.06310	2.2
203.07068	17.7
205.05034	12.5
221.08109	7.2
227.07120	4.5
236.44078	1.5
245.08153	35.5
246.08357	1.9
262.12585	1.5
274.01221	1.5
289.07181	100.0
290.07465	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01250	0.9
71.50012	0.5
72.70372	0.3
73.38389	0.3
76.96062	0.4
79.88532	0.3
81.03336	0.9
92.04926	0.9
93.03329	1.2
100.75927	0.3
107.03705	0.3
108.02067	0.6
108.04424	4.1
109.02828	4.9
121.02860	0.5
121.08870	0.3
124.01564	0.7
134.02368	40.1
135.03195	7.1
136.03932	36.0
137.02336	2.0
137.04312	1.4
146.77991	0.3
148.03947	0.8
149.04713	1.4
176.03430	5.1
177.04158	0.5
177.47194	0.3
181.03743	0.6
190.05011	0.5
203.07063	0.3
204.06613	0.5
208.92424	0.3
232.74432	0.3
245.08325	0.4
288.16031	100.0
289.07123	0.9
289.16354	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.9
63.90573	0.9
70.01284	2.6
75.00739	1.1
81.03333	4.5
83.01256	5.1
85.32997	0.9
90.17596	1.1
93.03329	3.0
95.01241	1.6
95.04903	6.6
97.02830	13.0
98.03189	0.8
98.93258	0.9
108.02042	2.0
109.02834	49.2
110.03198	1.0
121.02848	6.3
121.05235	0.9
122.03616	3.2
123.04411	32.1
125.01460	2.0
125.02339	30.6
132.71509	1.0
135.02824	1.4
135.04442	4.8
137.02353	16.7
138.03162	1.4
139.03908	8.2
145.02824	3.2
145.56169	1.1
146.03604	2.9
149.02342	8.1
150.03098	2.1
151.03903	17.3
157.06511	1.2
159.04401	4.0
160.05199	2.3
161.02307	1.7
161.05991	7.7
162.03127	2.2
163.03903	3.0
164.01022	4.8
165.01834	6.8
167.03349	3.2
173.06012	1.8
174.03131	1.2
175.03880	4.0
175.07539	5.0
177.05510	1.1
179.03406	11.6
185.05986	2.4
187.03935	8.6
188.04659	6.8
189.01895	1.0
199.07523	1.9
201.05400	2.0
202.06216	3.7
203.07071	21.7
205.05032	12.8
212.04637	1.1
217.01395	1.3
221.08142	7.0
227.07034	4.6
230.05753	1.3
245.00961	1.0
245.08153	39.6
246.08490	3.3
247.06097	3.1
289.07169	100.0
290.07571	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	287.0923
Annotation	3,4-Dimethoxy-2,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
59.01231	0.7
63.64146	0.5
66.00060	0.6
67.89292	0.6
69.72438	3.4
71.01218	0.6
108.02063	0.8
113.05952	3.4
119.04918	0.6
124.01552	11.8
125.02309	1.7
131.01299	0.7
139.03903	27.5
140.04211	0.7
145.02829	1.0
147.04430	5.6
153.31491	0.7
155.94110	0.5
156.05702	0.8
158.03625	5.0
159.04347	0.7
161.02287	0.7
163.00233	0.7
171.04443	2.2
171.08047	1.9
173.02344	4.3
174.03111	10.2
175.03889	2.6
183.04439	1.6
184.05203	1.9
185.02415	0.7
185.05937	0.6
186.03149	3.5
186.06750	0.6
187.03923	8.1
187.07553	2.7
197.06033	2.7
198.06772	1.1
199.03961	3.9
199.07565	12.0
199.09265	1.0
200.04709	30.2
201.05066	1.4
211.04018	1.0
212.04466	0.7
213.05478	1.2
214.02655	21.2
214.05952	2.9
215.03296	2.9
215.07059	44.1
216.07547	3.9
221.96681	0.6
227.03307	1.1
239.03474	2.1
240.04242	1.4
241.08672	1.0
243.06587	100.0
244.06960	7.1
251.07079	1.1
259.08707	0.9
269.08142	2.3
270.08881	2.1
287.09232	92.8
287.22205	1.9
288.09741	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	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.56435	0.4
53.91067	0.4
57.03316	1.1
59.01248	100.0
60.01575	0.6
60.99176	0.5
62.76807	0.5
69.63151	1.7
69.63575	1.3
71.01254	1.0
71.04894	0.6
83.04865	0.5
97.06459	0.9
98.20488	0.8
99.04412	2.0
109.06535	0.9
111.08045	0.6
123.00835	0.5
125.02337	1.4
134.02170	0.4
165.12755	1.7
167.10707	0.6
169.12263	1.0
207.13843	3.4
208.32936	0.4
209.11754	7.2
225.14932	7.8
227.12836	53.1
228.13223	2.9
251.12926	1.3
269.13934	15.3
286.98419	1.2
287.15002	86.3
288.15308	5.6
309.56879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0924
Annotation	Arizonicanol A
Peak:m/z	Relative Intensity
59.01236	1.3
68.33381	0.5
69.43517	3.8
70.91328	0.4
71.01260	1.1
87.91056	0.4
91.01762	0.5
93.03297	3.4
95.01272	1.5
106.04145	1.1
107.04901	3.4
108.02039	2.5
109.02847	0.7
113.05933	0.5
121.02837	100.0
122.03587	3.5
124.01529	1.2
125.02361	2.4
135.04428	0.5
136.01526	0.5
136.05161	0.7
137.02351	2.8
138.40578	0.4
150.03110	0.6
154.02606	1.7
158.03508	0.6
159.00771	0.7
168.00502	1.7
168.04198	1.0
171.04393	1.4
173.02333	0.7
174.03134	3.4
175.03865	2.4
182.02075	1.3
187.03882	1.5
195.04510	0.6
199.03973	0.8
199.07587	1.6
200.04718	5.6
201.05402	1.7
211.04070	0.7
211.07733	0.5
212.04639	0.6
214.02559	2.3
215.03514	2.3
215.07083	7.9
216.04167	0.8
216.07549	0.9
223.03935	1.0
227.07098	1.0
228.07863	31.2
229.08211	2.3
230.99286	0.8
241.04988	0.9
243.06580	10.8
243.10226	30.3
244.07260	3.0
244.10564	2.0
251.06972	0.5
269.08011	0.7
270.08987	2.6
272.06879	2.5
286.98444	2.1
287.09235	74.9
288.09781	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	287.0561
Annotation	(?)-Aromadendrin
Peak:m/z	Relative Intensity
57.00245	0.4
57.03339	0.5
58.15274	0.4
59.01246	1.3
59.98068	0.4
63.02267	2.5
65.00196	10.8
67.76101	0.3
69.28725	3.7
73.02812	0.6
83.01256	5.5
85.02841	0.7
92.53364	0.3
93.03330	0.7
107.01270	15.5
107.04894	0.8
108.01621	0.6
109.02843	3.9
111.58835	0.3
112.67953	0.4
117.03297	0.4
119.04939	0.4
121.02850	0.9
124.01506	0.8
125.02341	5.7
131.04936	5.4
133.02811	0.7
134.03668	2.0
135.04413	100.0
136.04753	3.8
137.02328	1.3
139.03947	0.8
147.04448	1.1
151.00273	81.4
152.00586	2.7
158.03644	0.4
159.04439	0.6
161.02373	1.8
165.01840	1.3
169.01347	2.4
171.04439	0.6
173.02399	0.7
174.03143	7.1
175.03917	35.2
176.04292	1.7
177.01863	0.7
181.04967	3.5
187.00319	0.8
187.03961	0.9
189.01886	0.8
193.04965	0.4
199.03813	0.9
201.05489	1.0
203.03415	0.4
212.04573	0.4
223.07607	0.5
225.05394	0.5
230.99249	0.4
241.08650	1.0
243.02853	0.7
243.06508	0.7
245.04504	0.5
259.06177	0.9
269.04575	1.0
269.08014	0.7
272.03162	0.5
286.98358	2.0
287.01956	4.4
287.05554	14.0
287.09238	15.0
287.14514	0.8
287.15564	0.6
287.18613	4.7
288.05994	0.7
288.09589	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	287.0925
Annotation	Plakinidine D
Peak:m/z	Relative Intensity
51.17939	0.2
53.02284	0.2
59.01256	0.2
59.37490	0.2
65.47256	0.2
69.43682	0.8
69.44112	0.8
93.03349	0.3
96.04734	0.2
101.03838	0.3
109.02844	0.7
117.03371	0.5
119.04922	0.2
121.02855	0.2
125.02332	0.4
129.03365	0.4
130.04153	1.1
131.04918	19.5
132.05266	0.9
133.02866	0.4
145.02843	0.6
147.04417	3.1
157.02855	1.7
158.03630	0.9
163.00288	0.3
165.01837	0.4
173.02351	1.3
174.01555	0.3
174.03142	20.6
175.03918	100.0
176.04262	4.2
189.01851	0.4
215.06952	0.2
223.07599	0.3
234.81781	0.2
241.08711	0.4
259.05997	0.3
269.08044	0.3
272.03067	0.3
287.09238	36.5
288.09573	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	285.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96434	6.9
51.85004	7.7
59.01249	100.0
69.35342	71.7
93.08205	7.1
105.27309	9.2
107.33543	8.0
121.31937	7.8
132.82323	8.4
175.84932	8.2
185.05852	7.6
193.40775	7.6
226.58865	7.9
229.04984	10.8
254.04381	9.4
285.04028	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03309	0.9
59.01259	0.7
67.18376	0.4
70.71290	1.0
70.71619	0.8
72.02690	0.4
97.39956	0.4
123.04385	0.6
133.02846	0.5
144.36263	0.4
151.00356	0.5
163.03993	0.5
165.01808	0.8
211.07684	0.4
221.19009	0.5
223.20612	64.9
224.20988	4.0
241.21629	1.7
241.53772	0.4
257.08252	0.5
267.19629	35.5
268.19992	2.6
285.04059	2.8
285.07629	2.3
285.20694	100.0
286.08157	0.5
286.21051	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	286.2386
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.93471	0.4
59.01255	1.0
61.64728	0.4
63.78445	0.4
69.78839	2.2
69.79146	0.6
70.02850	1.4
74.05968	2.1
97.02850	0.4
98.20566	0.4
111.80794	0.4
115.76422	0.3
118.04992	1.6
125.02314	0.6
133.67557	0.3
139.03893	0.9
140.04208	0.4
140.22369	0.3
145.02797	0.4
146.03210	0.9
163.03854	0.8
164.04237	0.4
173.02231	0.7
174.02820	0.8
175.03841	1.1
187.03856	0.5
200.04607	0.6
201.05016	0.6
211.03931	0.8
212.04364	1.0
225.05472	0.4
228.04008	1.3
229.04491	2.0
231.06578	0.4
240.23244	2.7
241.23486	0.5
242.05405	0.7
242.21281	1.8
242.24887	0.5
243.06592	0.6
256.22769	0.5
257.04276	1.3
257.07578	0.5
258.08511	0.9
268.07108	0.6
268.22839	1.2
286.08121	4.1
286.23856	100.0
286.98349	1.0
287.09085	1.2
287.24271	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1132
Annotation	Stemanthrene D
Peak:m/z	Relative Intensity
51.11740	0.4
54.42595	0.3
59.01257	1.2
63.02251	0.6
65.00193	1.5
68.99670	0.4
71.50768	0.7
75.91041	0.3
80.02551	0.7
83.01239	0.6
86.02835	0.3
89.00234	0.4
90.60064	0.3
93.03342	1.4
95.01263	1.1
97.02856	1.0
101.03841	0.7
107.01272	0.8
108.02031	3.2
109.02843	2.0
109.99998	0.8
119.04939	0.5
121.02827	2.6
123.00774	0.8
123.04430	0.4
124.01549	24.1
125.01870	0.5
135.00735	0.6
135.04335	0.4
136.01538	1.8
137.02341	28.7
138.03189	2.5
139.00288	1.1
139.03905	48.8
140.04259	2.1
145.02849	26.4
146.03181	1.3
148.01596	2.0
149.99449	0.3
151.00333	0.6
151.03905	0.9
153.05463	2.6
161.02289	0.5
162.46379	0.3
163.00333	0.4
163.03891	1.8
164.01059	1.1
165.01837	100.0
165.98868	0.5
166.02258	4.8
172.01543	1.1
173.02324	2.2
174.03082	0.5
175.03798	0.4
179.03380	5.1
183.04436	0.6
184.05241	0.4
187.03888	0.6
193.22580	0.4
195.04459	0.4
196.05249	2.8
197.05896	0.7
199.03879	1.1
200.04752	2.0
201.05383	0.7
209.06114	0.4
211.03894	3.2
219.88647	0.4
224.04796	2.2
224.08380	0.4
225.05432	0.5
225.09196	1.7
227.03468	2.1
228.04202	3.2
229.04726	0.4
239.07050	1.9
241.04907	0.6
241.08598	1.2
247.56502	0.4
250.89233	0.3
253.08687	1.6
255.06577	1.1
255.10379	0.4
256.03726	2.0
256.07263	0.9
257.08084	2.2
267.06561	0.9
269.08112	0.9
270.05255	1.3
271.05716	0.5
284.26797	0.5
285.07727	11.9
285.11261	81.5
285.20532	1.4
285.27002	1.5
286.08075	1.3
286.11569	8.1
286.20923	0.7
286.23886	6.0
291.03073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31065	2.3
69.31491	5.5
70.73405	0.8
73.02796	1.0
83.04892	1.5
93.03319	1.0
98.20555	1.9
111.04356	1.7
117.03339	1.4
138.71289	0.8
145.02850	43.0
146.03197	2.4
161.02328	1.4
172.01529	1.2
173.02356	79.8
174.03038	7.8
183.04420	4.6
184.05170	1.9
187.03889	2.7
195.04494	2.1
199.03940	1.9
200.04683	9.7
201.05438	3.3
202.06245	1.6
210.03140	2.4
211.03940	74.3
212.04591	11.4
213.05261	0.9
221.05917	1.7
223.07529	0.9
224.04736	3.9
227.03455	8.1
228.04231	21.6
229.04855	2.1
238.02625	1.3
239.03343	2.0
239.07057	7.9
241.04921	1.7
241.08722	1.4
243.06546	1.1
248.05034	1.0
249.05324	1.0
256.03741	28.7
256.07361	7.7
257.04181	2.4
257.08136	9.4
267.06604	3.2
275.48947	0.9
284.26752	2.7
285.07678	100.0
285.20721	2.5
286.08145	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	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04594	1.6
59.01245	3.4
60.77222	1.5
65.00188	1.7
67.89891	1.5
69.32014	14.5
73.02822	2.0
79.74607	1.5
81.03316	1.7
83.04884	2.2
93.03361	1.8
97.02825	4.1
99.81561	1.3
106.87000	1.5
117.03328	3.3
145.02858	60.5
146.03098	1.8
161.02292	2.1
165.01842	4.8
171.04384	2.1
173.02348	90.7
174.03072	12.4
175.03899	3.4
182.03709	1.8
183.04459	12.3
184.05153	5.0
185.02419	1.9
185.06032	2.5
186.73369	1.6
187.03928	9.4
195.04436	1.9
199.03917	14.6
200.04727	58.8
201.05496	19.1
202.06233	4.3
210.03160	3.1
211.03944	100.0
212.04558	13.8
212.62334	1.4
213.01840	2.9
213.05341	2.3
214.02652	2.9
215.07039	2.8
219.14146	1.7
223.03981	2.5
223.07475	2.3
224.04715	11.5
225.05438	4.3
226.02673	1.7
226.06335	2.3
227.03482	17.8
228.04222	75.6
229.04816	12.6
239.03464	2.7
239.07109	19.8
240.04184	2.2
241.05046	13.5
241.08624	6.5
242.05414	2.7
243.06555	3.5
256.01016	2.2
256.03735	65.2
256.07373	35.6
257.04340	6.3
257.08145	78.4
258.08569	4.5
267.06644	21.1
284.26657	4.6
285.04730	2.1
285.07684	61.7
285.10886	3.4
285.20779	3.5
285.26917	2.0
286.08167	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	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
59.72649	0.7
60.26677	0.7
67.15991	0.7
70.84972	2.3
71.04889	2.4
73.02807	1.8
81.03322	0.9
83.04900	2.0
93.03365	1.6
97.02851	4.4
111.04434	1.0
119.04852	1.5
137.06033	1.1
145.01724	0.9
145.02855	15.9
157.06461	0.9
160.01588	1.6
161.02319	2.6
163.00360	0.9
163.03928	2.3
165.01808	1.0
165.98987	0.9
167.04945	1.0
171.04398	1.9
172.01543	1.1
172.05238	0.8
173.00948	1.7
173.02359	28.8
174.03123	13.1
175.03987	1.9
182.03609	1.1
183.04442	11.1
183.08154	0.9
184.05165	2.4
185.02324	1.9
185.05974	1.1
186.03127	1.0
187.03911	11.3
195.04451	1.5
195.08044	1.4
197.05960	1.8
199.03925	15.0
200.04720	78.6
201.02028	1.2
201.05447	23.2
202.06219	5.2
203.80432	0.8
208.05225	3.4
210.03104	3.3
211.03944	53.5
212.04622	10.3
213.01949	1.6
213.05473	2.6
213.09143	1.0
214.02539	1.8
215.03456	1.5
215.07100	12.6
221.06039	1.0
223.03972	1.8
223.07573	7.1
224.04750	10.0
225.05464	4.3
226.02704	3.1
226.06198	1.1
227.03450	16.2
228.04227	66.5
229.04906	10.6
237.05554	0.9
238.02620	1.0
239.03465	2.0
239.07118	19.1
240.04259	1.5
240.07591	2.8
241.05008	12.3
241.08693	12.4
242.05655	3.8
243.06636	2.3
252.04405	1.2
255.06596	2.3
256.03741	29.5
256.07376	38.8
257.04251	2.7
257.08160	100.0
258.08514	7.5
267.06631	22.5
268.06946	2.9
270.05191	1.6
284.26752	3.3
285.07669	99.7
285.20526	2.1
285.27078	1.7
286.08282	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01755	0.5
92.02572	0.7
104.02533	1.1
108.02062	0.8
116.02586	1.5
117.03337	1.2
119.01216	0.7
132.02069	9.3
133.02420	0.6
135.00789	1.2
144.02090	1.3
145.02847	3.0
147.00732	2.0
150.48886	0.4
156.05692	1.0
159.04442	0.5
160.01538	1.7
161.02316	0.7
161.53278	0.5
163.03912	4.6
171.04451	0.7
172.01566	45.0
173.02290	5.2
174.03073	1.8
175.00279	4.4
183.04431	13.7
184.05197	2.9
185.02411	0.6
187.00241	1.0
187.03896	4.1
195.04337	1.1
199.03949	5.3
200.04674	3.5
201.01826	1.0
201.05528	1.4
206.02086	1.2
210.03204	0.7
211.03943	17.3
212.04680	6.5
213.01898	1.2
214.02560	0.8
215.03491	1.4
223.07613	2.5
224.04727	0.7
227.03452	33.5
228.04155	8.6
229.04877	0.9
238.02528	0.6
239.03487	3.3
239.07098	1.2
255.02948	1.2
256.03754	21.4
256.07245	1.1
257.04263	2.4
257.08154	1.7
267.06583	2.0
270.04306	0.9
284.26727	0.7
285.07669	100.0
286.08035	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	285.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39629	0.6
65.00193	10.2
68.99687	1.5
70.00060	0.6
70.27498	1.3
70.27905	2.3
72.99163	1.6
81.92738	0.7
82.00469	1.5
89.00189	1.9
91.01756	1.0
93.03336	8.3
95.01225	0.7
96.99191	1.0
97.02838	4.6
109.99979	57.6
111.00307	1.3
114.35539	0.6
119.04913	44.7
120.05222	2.3
121.02797	2.2
121.99923	0.8
123.00748	2.6
126.15705	0.7
126.65134	0.7
136.98723	1.9
137.68617	0.8
137.99492	18.1
141.98984	3.1
145.05646	0.7
149.99442	1.0
151.00221	1.0
164.01059	0.9
165.01849	31.0
165.03252	1.6
165.98988	40.9
166.02110	1.1
166.99377	1.0
169.06505	1.4
177.76367	0.7
178.99794	4.6
179.03352	1.6
199.03876	1.0
200.04762	1.8
206.16174	0.7
211.04018	1.3
213.05495	2.0
214.02916	0.7
214.06102	1.1
227.03448	1.3
228.04236	0.9
239.07175	1.1
241.08629	0.9
242.05785	3.0
246.05219	2.6
256.03732	1.1
257.08188	1.4
267.06616	1.1
269.04584	1.2
270.05325	75.1
271.05676	4.7
284.26831	1.2
285.07669	100.0
286.08044	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32545	1.1
53.88430	1.5
59.01228	4.5
71.50207	1.4
83.03178	1.3
93.03332	44.4
94.03687	1.6
109.51208	1.3
123.04387	3.7
133.02882	2.0
137.02336	100.0
138.02737	2.7
161.15602	1.5
200.06589	1.4
242.02112	1.8
270.01660	1.7
284.26865	6.3
285.01031	1.7
285.04080	7.4
285.08731	13.3
285.11194	1.7
285.13800	2.5
285.27090	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	285.0769
Annotation	Brazilin
Peak:m/z	Relative Intensity
59.01236	2.5
68.99694	1.1
71.01233	2.5
78.95779	3.4
103.89776	0.8
117.03342	4.1
117.52865	0.8
121.02782	0.9
145.02838	1.5
145.43642	0.8
155.99484	0.7
158.03615	2.6
159.04417	1.4
161.02361	6.1
163.03918	11.1
164.04228	0.9
169.10092	1.2
171.04424	3.1
172.05171	1.0
173.02371	8.1
173.05946	0.8
174.03149	9.0
175.03868	2.3
180.05745	1.2
182.98538	0.8
183.04436	5.9
184.05202	1.0
185.02454	1.4
185.05962	0.9
187.03928	12.0
188.04605	1.0
189.05450	0.7
195.04460	4.3
195.08076	1.7
196.05202	2.6
197.05969	2.8
198.03172	1.7
198.06816	1.2
199.03918	5.4
199.05486	0.9
200.04727	36.1
201.01869	2.2
201.05309	4.3
202.02690	2.6
203.03346	1.4
208.05301	1.2
209.06068	3.6
210.03218	1.0
211.03958	16.1
211.07549	3.3
212.04721	12.9
213.01901	1.8
213.05487	12.2
213.09125	11.5
214.02739	12.0
214.06288	14.5
214.09402	1.1
215.03441	2.4
215.07063	13.1
216.04158	1.0
216.07407	1.3
222.06747	0.8
223.03943	2.2
223.07510	1.9
224.04755	15.1
225.05396	5.1
226.02638	3.4
226.06293	3.0
227.03458	24.0
227.06920	3.8
227.10683	1.0
228.04240	38.6
228.07574	5.0
229.04805	2.9
229.08688	12.3
237.05470	1.8
238.02594	1.3
238.06331	5.2
239.03479	12.0
239.07086	21.2
240.04163	2.5
240.07437	1.9
241.05032	12.1
241.08623	5.4
242.02179	12.6
242.05783	5.7
243.06543	2.0
244.03621	0.9
251.03458	1.5
252.04271	8.0
255.02965	9.2
255.06612	1.5
256.03754	10.8
256.07388	16.2
257.04257	1.4
257.08197	22.2
258.08521	1.3
262.12164	0.7
267.06619	20.8
268.07025	1.6
270.05334	2.1
284.26617	4.9
285.07675	100.0
285.20514	1.5
285.27127	1.9
286.08176	9.2
307.96378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06494	0.5
52.70426	0.6
55.01752	2.5
57.03312	1.5
59.01249	6.6
70.37247	0.5
71.01253	3.9
71.52157	0.7
73.02818	100.0
74.03156	1.3
77.55454	0.7
81.35151	0.5
83.04906	1.2
85.02804	0.8
87.00745	0.7
89.02316	1.8
93.03371	0.7
95.01308	0.8
95.04939	0.5
97.06483	2.4
99.04396	2.3
101.02339	2.0
108.27363	0.6
109.06495	0.8
119.03411	1.1
121.04963	0.7
121.35145	0.6
134.65784	0.6
139.11116	0.9
140.74606	0.5
144.71849	0.5
145.71286	0.5
161.04507	0.7
165.12772	10.8
167.04810	0.6
193.12253	0.6
203.14345	0.7
209.11774	24.8
210.12100	1.9
211.03952	21.9
212.04329	2.1
215.96407	0.5
221.15424	8.7
222.15884	0.6
223.03888	0.7
223.08270	0.8
239.03471	21.7
239.16481	13.3
240.04102	4.7
240.17023	0.8
241.14417	1.3
248.98888	0.5
263.48624	0.6
265.14450	1.8
268.03754	16.7
269.03995	0.7
283.02728	1.1
283.06152	20.2
283.10165	2.9
283.15515	48.1
283.18619	1.9
283.26416	71.8
284.06458	2.7
284.09869	0.5
284.15842	4.2
284.26758	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	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
58.73275	0.4
59.01247	1.4
60.38060	0.4
62.85684	0.4
70.25297	1.8
87.67173	0.4
89.02339	0.6
101.02288	0.4
107.04901	100.0
108.05233	3.2
109.06126	0.4
112.69121	0.5
143.50160	0.4
158.15448	0.4
163.11186	98.4
164.11526	4.6
166.84109	0.4
198.18124	0.5
201.73500	0.4
253.05023	1.3
262.26913	0.5
268.03595	0.8
283.10547	1.9
283.17014	89.6
283.26358	36.2
284.17334	8.5
284.26740	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	283.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84161	2.0
55.48217	1.9
59.01247	76.2
69.44456	14.7
71.01263	3.9
89.02313	2.4
95.01202	2.2
101.02287	2.8
113.02302	2.4
164.06195	2.0
175.08835	2.0
183.04356	2.2
211.03885	2.0
227.03427	4.6
239.03300	2.4
255.02968	18.0
283.02478	24.9
283.10507	3.8
283.15417	4.6
283.26413	100.0
284.02905	3.2
284.26791	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	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91934	1.0
59.01247	35.8
69.03297	1.0
69.23209	10.1
69.23542	1.2
71.01232	4.3
72.08611	0.9
73.02818	2.4
80.96381	1.1
83.04881	1.3
85.02820	1.9
89.02301	3.1
98.20580	2.3
101.02309	3.0
115.03886	1.2
121.04984	1.0
135.04393	2.2
146.03604	1.6
147.04395	2.5
159.04375	1.3
160.45848	1.0
161.04358	1.5
175.03899	1.3
179.10707	3.0
203.03526	1.4
239.12869	1.9
264.98001	2.0
268.03604	1.4
283.02295	1.8
283.06247	2.7
283.09775	2.8
283.15598	6.2
283.26398	100.0
284.26773	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	283.0611
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
56.38215	0.5
59.01239	2.7
63.02253	0.8
65.00202	0.8
67.46323	0.5
71.01198	0.6
71.22355	1.2
89.02332	0.8
90.28822	0.5
97.02776	0.6
104.47124	0.5
107.01286	1.1
117.03359	3.0
136.07567	0.5
141.03339	0.7
151.43556	0.5
155.05003	0.9
159.04443	0.9
167.04948	1.9
180.09991	0.6
182.03688	0.8
183.04449	3.6
195.04430	1.7
199.04027	0.7
201.76506	0.5
211.03947	100.0
212.04295	7.0
227.03430	1.3
239.03455	86.2
240.04066	15.9
241.04669	1.4
255.02966	12.9
255.10143	0.6
256.03293	1.9
268.03751	74.8
269.04135	5.9
283.02518	20.5
283.06094	91.0
283.26410	34.6
284.02823	2.2
284.06430	8.6
284.26743	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	283.0974
Annotation	FLAVOKAWAIN B
Peak:m/z	Relative Intensity
52.51849	0.4
59.01257	0.7
63.02269	1.0
65.00191	1.0
95.01243	0.8
101.03841	1.3
107.01250	1.3
108.02039	2.0
110.98847	0.5
117.03345	5.1
119.04896	0.5
121.02820	1.6
123.00721	0.6
136.01520	0.5
137.02330	0.9
138.03131	6.7
142.11450	0.5
143.04910	0.6
147.04417	6.9
148.04768	0.5
149.02330	6.5
150.02431	0.5
151.00240	1.5
151.31041	0.5
153.05466	8.0
157.06433	0.6
165.01845	1.9
165.07024	1.2
167.04951	1.1
176.01044	0.9
177.01862	1.0
181.06456	1.7
183.04424	0.8
185.05954	1.0
189.82753	0.5
191.03413	3.1
197.06046	2.9
208.05196	1.2
209.06032	7.3
221.06024	0.5
222.06859	0.9
223.07643	0.7
225.05516	5.1
237.05449	0.6
238.06268	1.0
239.07056	1.2
240.07884	8.6
251.07204	0.7
252.04251	2.4
253.05029	80.2
254.05377	5.4
255.07564	1.1
255.10237	18.5
256.10605	1.7
267.06601	6.6
268.04077	0.7
268.07281	4.1
283.09735	100.0
283.26419	16.8
284.10040	9.2
300.06378	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	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63737	0.3
57.02792	0.3
59.01262	1.2
63.02265	0.8
65.00217	0.7
71.01255	0.5
71.08650	0.6
71.09025	0.7
72.85830	0.4
79.28358	0.3
81.08896	0.3
83.01257	0.8
83.98324	0.3
100.17205	0.3
107.01257	2.2
108.52062	0.4
117.03326	4.6
148.01584	1.4
149.99568	0.9
151.00258	2.6
158.29793	0.3
163.03908	0.4
165.01852	1.0
171.04417	1.2
172.05235	0.5
184.05299	0.8
195.04437	0.7
196.05231	1.0
198.02945	0.3
200.04800	0.7
211.03957	2.6
212.04494	0.6
239.03485	4.0
240.04176	4.8
267.02982	2.1
268.03748	100.0
269.04080	8.0
283.06097	84.2
283.26395	13.9
283.29575	0.5
284.06445	7.8
284.26721	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03326	1.0
59.01247	7.5
69.14326	0.6
71.01257	2.8
71.51417	0.6
71.51853	1.3
72.99191	0.9
73.02818	16.2
81.08009	0.6
85.02848	0.9
89.02319	2.4
95.01234	0.6
98.09352	0.6
101.02322	2.4
106.86253	0.6
107.01293	0.8
119.03417	1.6
121.04955	0.9
143.60564	0.7
161.04610	0.7
165.12669	0.9
167.04927	2.2
195.04465	1.8
199.03967	0.6
209.05978	1.0
209.11766	4.3
210.05649	0.7
211.03944	100.0
212.04356	5.9
221.15500	1.9
223.08110	1.0
224.04750	2.8
227.03485	1.0
237.05553	2.9
239.03458	85.0
239.07272	2.2
239.16492	2.7
240.04121	14.4
240.07816	0.7
241.14459	0.9
249.82225	0.6
253.04979	1.5
255.06764	0.9
262.43115	0.7
265.05069	1.4
265.14432	1.1
265.25601	0.6
268.03763	70.7
269.04132	6.1
283.06116	88.7
283.15497	10.7
283.19308	2.2
283.26413	88.5
284.03439	1.0
284.06357	6.5
284.15714	0.7
284.26807	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66681	0.3
58.99747	0.2
59.01239	0.6
65.00185	0.6
69.01604	0.3
70.53532	0.7
89.02309	0.3
95.01250	0.8
105.68761	0.3
106.62862	0.3
109.99977	5.7
115.05450	0.3
119.01260	1.8
130.43896	0.2
135.00792	1.3
137.02310	1.0
137.99478	1.7
139.05396	1.4
143.73318	0.3
148.98753	0.6
163.00270	15.6
164.00589	0.7
165.98984	5.1
167.04935	0.3
171.04390	1.3
179.61876	0.3
182.03682	0.4
183.04439	0.5
184.05202	3.3
195.04469	1.2
196.05211	1.8
198.03151	1.9
211.03963	1.5
212.04762	0.9
223.03935	0.8
224.04794	1.9
239.03465	3.4
240.04213	1.2
267.03076	2.8
268.03748	100.0
269.04089	8.1
283.06104	35.7
283.26395	10.4
284.06424	3.6
284.26813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0582
Annotation	Cyprofuram
Peak:m/z	Relative Intensity
59.01249	0.2
59.29593	0.1
70.27926	0.1
73.92258	0.1
91.01746	0.1
103.96717	0.1
121.02859	0.2
130.04126	0.1
135.00781	0.1
161.02345	0.3
178.07782	0.1
185.02280	0.2
189.06978	0.1
190.00784	0.1
192.06291	0.1
193.06566	0.2
204.05737	0.3
205.06487	0.2
206.07307	0.4
221.06059	0.7
222.06725	0.6
224.04694	0.6
232.05305	1.3
233.06039	1.7
234.06361	0.2
235.03989	0.4
237.05482	0.2
248.04750	1.2
249.05537	7.0
250.06183	1.6
251.06592	0.2
260.04691	0.6
261.05533	3.0
262.05936	0.3
276.04288	4.9
277.05051	25.2
277.21732	0.2
278.05811	100.0
279.06161	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01238	0.6
70.35095	0.4
70.35478	0.4
71.01247	0.2
84.50175	0.2
90.19605	0.2
90.95442	0.2
98.19837	0.2
104.38718	0.2
127.27282	0.2
148.65559	0.2
186.36513	0.2
261.22293	0.4
279.23267	100.0
280.23621	9.8
302.05319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68200	0.3
59.01241	1.2
63.02274	1.5
65.00214	0.5
70.89765	0.8
72.26105	0.3
72.48196	0.3
75.00779	0.4
83.01262	1.3
89.02315	0.5
107.01254	2.4
112.16448	0.3
117.03337	0.6
123.00754	0.4
130.76479	0.3
148.01556	1.1
149.99461	0.9
151.00281	3.6
167.04932	0.4
171.04408	0.9
172.05206	1.0
184.05197	0.6
188.76862	0.5
192.04164	0.4
195.04451	0.7
196.05219	1.0
200.04707	0.5
211.03955	2.6
212.04652	1.1
223.03987	0.6
239.03470	4.6
240.04242	5.9
267.02948	2.4
268.03748	100.0
269.04099	7.1
283.06100	84.5
283.26419	12.9
284.06467	7.8
284.26740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
68.03479	0.2
73.53961	0.2
83.01260	0.3
84.06802	0.2
98.20629	0.4
108.02046	0.5
109.02828	0.5
119.04890	0.3
125.02327	1.0
135.26009	0.3
201.76805	0.2
213.05562	0.3
225.22160	4.8
226.22623	0.5
241.05046	0.5
253.21722	1.7
258.14633	0.2
269.21234	0.9
270.21606	0.2
271.09595	0.9
271.22775	100.0
271.88400	0.2
272.23120	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.40821	0.2
59.00962	0.4
59.01249	5.9
59.35908	0.3
68.79456	0.3
71.01238	0.6
73.02814	0.3
79.95583	0.3
83.04851	0.3
89.00201	1.1
92.99669	0.3
95.69608	0.3
98.19748	0.6
99.65874	0.2
105.49542	0.3
106.14958	0.3
116.99637	0.3
117.03339	0.3
121.02834	0.5
127.07523	0.4
127.11111	0.3
131.92365	0.3
134.03604	0.7
154.91354	0.3
160.98689	0.5
161.04604	0.3
204.97656	0.6
205.15976	1.3
229.15269	0.4
232.97189	0.5
233.00838	0.7
233.19026	0.4
233.22729	0.7
259.20688	0.8
270.10422	0.3
275.20016	0.3
276.96307	0.5
276.99643	0.4
277.18222	8.6
277.21686	100.0
278.18509	0.9
278.22000	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01249	2.1
71.01247	0.5
89.00188	0.2
113.05960	0.2
136.65160	0.3
142.39970	0.2
160.98755	0.2
205.15776	0.3
217.37485	0.3
233.22812	0.4
259.20639	0.5
275.20074	0.4
277.21713	100.0
278.22055	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	3.7
67.34254	0.3
70.24500	0.6
70.24879	0.7
89.00212	1.0
91.01781	0.8
91.38112	0.3
92.85914	0.3
95.01259	1.2
96.02040	0.7
97.02837	2.2
106.00644	0.3
108.02075	0.4
109.02866	0.4
111.00768	0.3
112.57433	0.3
121.02833	1.4
123.00780	1.5
124.01551	36.6
125.01816	0.8
125.02435	0.3
137.02356	1.5
139.00301	0.5
139.02837	0.6
139.03911	9.3
139.87746	0.3
144.26437	0.3
149.99492	0.9
151.37750	0.3
152.01054	83.5
153.01367	3.0
165.00508	0.6
165.01843	8.0
166.02220	0.3
184.00037	0.5
195.08092	0.5
239.07014	0.8
241.05058	0.3
242.05806	0.3
246.51604	0.4
253.08705	0.4
253.51419	0.3
256.07382	9.5
257.07721	0.9
271.09744	100.0
271.22763	0.9
272.10074	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03064	0.3
59.40872	0.3
63.02274	0.5
65.00187	3.1
69.40975	2.7
89.00209	0.9
91.01768	0.6
95.01273	1.5
96.02069	1.2
97.02805	1.9
108.02064	0.7
109.02830	0.4
111.00790	0.6
116.30486	0.3
118.82774	0.3
120.34890	0.3
121.02850	1.2
121.30807	0.3
123.00761	1.1
124.01550	33.9
125.01900	1.1
137.02367	2.1
139.03903	10.0
142.38805	0.3
149.99506	1.1
152.01054	78.2
153.01396	3.2
165.01846	7.6
173.02327	0.6
174.03128	4.2
183.51587	0.3
195.08098	0.9
196.05128	1.1
200.04688	1.3
209.06001	0.7
213.05508	0.9
215.07079	0.9
225.09213	2.0
227.07173	0.9
228.07843	1.4
239.07036	0.9
242.05791	1.2
252.61180	0.3
253.08643	0.9
256.07361	8.1
271.09741	100.0
272.10068	8.1
284.90756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80407	0.7
58.17163	1.0
93.03360	1.1
97.06463	1.3
125.02331	1.4
145.02820	0.9
152.06229	1.4
173.02428	4.7
174.03140	31.4
175.03587	1.3
186.03058	1.2
187.03917	3.4
188.04520	0.9
195.04427	15.4
196.05220	47.1
197.05571	3.8
197.09579	1.4
199.03928	1.9
200.04762	8.5
209.05959	2.3
211.03929	2.4
212.04799	1.2
213.03613	1.6
213.05530	18.6
214.02728	1.2
214.06155	6.2
215.07117	8.2
220.03821	1.2
223.03783	1.1
224.04703	4.6
224.08295	1.0
225.09155	100.0
226.09473	8.4
227.07068	2.3
228.07872	13.2
229.08389	1.2
241.05084	2.0
242.05794	33.5
243.06195	2.2
243.10284	1.1
253.08684	35.7
254.09084	3.8
257.93597	1.0
271.06619	1.3
271.09729	22.0
271.19006	0.9
271.22659	1.5
272.10184	1.8
288.46722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46479	0.4
56.58700	0.5
59.01237	0.7
61.02422	0.5
61.89104	0.6
71.22809	0.9
72.15924	0.5
89.90231	0.5
93.03364	0.8
97.06466	4.0
102.24809	0.6
107.76385	0.5
108.02066	1.2
109.02852	1.5
119.04916	1.4
125.02369	3.4
127.63298	0.5
130.04108	0.6
136.66000	0.5
145.02855	3.5
146.03671	1.1
146.52846	0.5
147.04456	0.6
151.00279	0.6
152.01047	0.9
158.03673	1.5
159.04472	0.6
161.02345	6.9
163.03877	0.8
173.02357	16.4
174.03139	93.1
175.03500	5.3
183.04419	0.7
185.02386	1.8
187.03941	6.4
188.04626	1.4
189.01894	0.6
195.04422	4.2
196.05212	9.2
197.06039	3.3
198.03127	0.8
199.03952	4.0
199.07684	0.9
200.04716	62.2
201.05069	4.3
202.02660	0.9
209.06007	18.1
210.06454	1.5
211.04001	1.0
212.04716	0.6
213.05516	10.4
214.02654	60.1
214.06093	2.3
215.03006	4.4
215.07040	7.2
216.07346	0.8
223.07631	2.1
224.04710	7.4
224.08234	1.1
225.09160	41.7
226.09477	3.2
227.03529	4.3
227.07083	6.9
227.10640	2.9
228.04282	6.7
228.07855	14.0
229.08365	0.9
237.05481	0.7
241.04977	1.7
241.08737	0.6
242.05748	2.2
242.09508	3.1
243.10233	36.8
244.10544	2.3
253.08684	13.3
254.09186	1.6
271.09750	100.0
271.22824	3.4
272.10083	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70129	0.6
60.41901	0.6
65.20259	0.7
65.30210	0.5
67.49189	0.5
70.52854	2.0
91.01923	0.6
93.03304	0.8
97.06476	0.8
102.42075	0.5
109.02829	1.1
117.03312	0.7
118.95093	0.7
121.02877	0.8
136.36539	0.5
137.81578	0.6
138.03113	2.0
149.02354	1.3
153.05443	2.5
158.03619	0.7
161.02362	5.1
165.01833	2.0
168.80403	0.5
169.06508	1.0
173.02332	2.8
174.03133	42.0
175.03746	2.8
182.03645	1.2
183.04482	0.8
184.05022	0.6
185.02364	3.1
186.03177	0.7
187.03944	3.9
189.01855	19.3
190.02278	1.7
195.04442	12.1
196.05132	2.6
197.06007	1.5
197.09596	0.7
198.03214	0.8
199.03885	5.9
199.07587	4.7
200.04709	35.5
201.05266	2.5
202.02612	1.9
203.03365	1.3
208.05118	0.7
209.05995	5.4
210.03169	4.1
211.04004	3.4
212.04727	2.4
213.02097	1.5
213.05508	42.1
214.02707	4.0
214.05966	3.8
215.07069	57.3
216.07422	3.9
221.87599	0.6
223.07683	1.9
224.04753	4.7
225.05522	7.1
225.09123	5.0
226.05988	0.9
227.03595	8.0
227.07065	32.7
228.04395	22.3
228.07851	93.5
229.04652	2.0
229.08183	6.7
230.02202	1.5
234.01631	1.5
241.05003	1.9
242.02206	4.1
242.05823	4.6
243.06586	14.9
243.10248	3.7
244.06905	1.4
252.04199	0.8
252.07967	1.5
253.05008	4.8
253.08672	6.2
254.05797	1.5
256.03705	1.0
271.06116	100.0
271.09726	93.2
271.22537	0.8
272.06464	8.8
272.10092	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01249	0.9
63.02269	10.8
65.00195	19.3
66.00515	0.6
69.18545	5.3
83.01257	11.9
84.20629	0.5
88.40483	0.5
93.03338	14.8
95.01252	0.5
98.19808	0.8
107.01270	28.5
117.03367	0.7
119.04917	80.2
120.05279	3.0
125.02335	3.8
133.02867	0.8
143.04898	1.1
145.02873	2.2
151.00275	68.6
152.00630	2.2
159.04460	0.9
161.06013	1.5
165.01871	5.9
169.01314	4.0
177.01857	10.3
185.06041	2.0
187.03917	2.4
200.04677	0.6
209.06075	0.8
211.02394	0.9
212.04762	0.6
213.05518	0.9
227.07095	1.8
241.05103	1.4
253.05054	0.6
256.07330	1.6
271.06122	100.0
271.19141	1.8
271.22571	1.0
272.06488	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71296	0.2
52.73622	0.3
59.01266	0.5
63.02263	12.4
63.72944	0.3
64.02611	0.3
65.00191	20.6
65.03794	0.4
68.99685	0.3
69.28309	1.9
69.28725	0.7
70.02081	0.3
81.03333	0.5
83.01254	11.7
88.30531	0.3
93.03330	16.2
94.03674	0.3
95.01258	0.5
97.06451	0.6
98.20590	0.6
107.01267	29.6
107.70440	0.3
108.02129	0.5
108.99190	0.5
109.02818	0.6
117.03328	0.6
119.04910	82.8
120.05255	3.3
121.02840	1.0
125.02321	1.8
137.02293	0.4
143.04895	0.9
145.02846	2.2
151.00267	74.9
152.00606	2.9
153.00069	0.3
157.06404	0.3
161.05972	1.3
165.01826	5.4
169.01347	3.9
170.01443	0.3
173.02356	1.2
174.03134	8.6
175.03470	0.4
177.01839	11.3
178.02132	0.6
185.06035	1.1
187.03929	3.2
196.05225	0.4
199.07582	0.4
200.04613	1.3
208.23914	0.4
209.06090	0.4
211.13268	0.4
213.05513	1.6
215.07030	1.1
225.09093	0.5
227.07071	2.5
228.07843	2.2
229.04904	0.6
242.93520	0.3
253.04980	0.5
253.08577	0.4
271.06110	100.0
271.09509	6.4
272.06436	8.7
272.09564	0.6
289.21057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59956	0.4
57.03325	2.5
57.27915	0.4
59.01244	0.9
63.02266	1.7
65.00198	3.6
68.61741	0.4
71.01227	0.6
71.04888	1.7
72.02026	1.3
73.02811	2.4
74.90157	0.4
80.36648	0.5
81.03325	0.8
83.01263	2.4
83.04876	1.0
85.02820	0.8
87.04387	53.2
88.04726	1.7
93.03334	0.6
95.04925	1.2
98.19778	1.0
99.04389	1.8
105.03329	1.0
107.01272	7.2
114.76130	0.4
117.03343	23.4
118.03682	1.6
121.02843	1.4
121.06470	2.3
123.08067	0.5
128.93584	0.5
149.02339	10.2
151.00272	10.9
152.00491	0.5
155.04922	0.4
159.04427	2.3
169.06534	0.5
171.38876	0.5
173.02359	0.7
173.06067	0.4
174.03075	2.5
176.85521	0.4
179.14381	1.2
180.05753	0.5
181.06493	1.7
181.15887	4.8
183.04457	2.8
187.03905	0.4
189.16458	0.6
195.04440	0.7
195.08136	0.4
196.05183	2.5
197.05914	1.4
198.03107	0.5
199.07581	0.7
201.05505	2.0
207.13838	1.5
207.17468	4.3
208.05241	7.0
209.05882	1.4
209.15404	1.2
211.03923	4.4
212.04573	1.7
213.05496	1.8
221.05930	0.6
222.03305	0.4
222.06854	1.2
223.04205	0.6
223.07599	11.6
223.16925	1.2
224.04691	0.8
224.07933	1.6
225.05537	5.5
225.09135	1.5
225.14914	3.2
226.02623	0.5
226.06233	2.7
227.03415	1.8
227.06908	0.5
236.04785	4.1
237.05406	0.8
239.03485	2.4
239.07030	0.6
240.04242	5.7
240.07645	0.7
241.04793	0.9
241.08574	2.5
251.07118	19.7
251.16635	0.5
252.07558	2.7
253.05154	0.5
269.04538	100.0
269.08099	23.1
269.13974	11.6
269.17554	30.9
269.21063	3.9
269.24115	0.7
270.04865	12.4
270.08432	3.0
270.14218	1.1
270.17892	2.8
270.21085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.2
59.01240	3.3
63.02260	2.0
65.00197	2.7
69.03335	0.8
69.99278	0.6
71.01250	1.9
71.04881	3.5
71.13310	0.8
72.02032	2.5
73.02815	8.3
83.01255	1.6
83.04901	1.6
85.02827	1.8
87.04387	99.5
88.04712	1.0
94.15816	0.7
95.04881	1.2
97.06453	1.1
99.04403	5.4
105.03319	1.2
107.01268	6.4
111.08012	1.6
117.03344	27.6
118.03680	1.2
121.02834	1.2
121.06430	1.2
123.08048	0.7
125.09629	1.0
131.58792	0.7
137.09637	1.7
149.02356	9.0
151.00266	9.5
159.04411	2.9
161.02376	0.8
165.12752	1.4
173.02393	0.7
174.03075	1.9
178.36771	0.8
179.14372	6.1
180.05774	0.9
181.06479	2.1
181.15898	19.4
182.03465	0.9
183.04445	2.9
189.16396	1.5
189.84515	0.7
191.14372	0.9
196.05251	1.9
197.06023	1.0
197.15419	0.8
201.05470	2.0
207.13855	4.3
207.17406	7.7
208.05264	7.0
209.05975	1.1
209.15361	2.1
211.03963	5.5
212.04453	2.5
213.05444	2.1
222.03233	0.9
222.06783	1.0
223.07553	13.4
223.16978	2.6
224.04645	1.3
224.07999	1.6
225.05560	5.5
225.09248	1.3
225.14909	16.0
226.06148	1.8
226.15254	1.6
227.03468	1.7
236.04771	5.2
237.05409	1.2
239.03468	2.3
239.07050	1.0
240.04152	5.6
240.07809	1.7
241.04977	0.9
241.08653	3.5
251.07108	20.6
252.07526	2.3
269.04559	100.0
269.08118	25.4
269.13971	53.3
269.17569	66.2
269.21124	7.1
269.24677	1.3
270.04892	11.6
270.08221	1.4
270.14420	4.6
270.17654	4.7
270.20807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1756
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.15846	0.7
55.33205	0.8
57.03328	4.7
59.01242	3.5
69.35909	0.8
71.01244	3.8
71.04887	4.7
71.51691	1.3
72.02043	1.8
73.02814	18.8
83.04871	1.5
85.02821	1.4
85.06446	0.7
87.04385	100.0
88.04750	2.4
97.06549	0.8
99.04389	3.4
107.01265	1.0
117.03353	1.0
121.02831	1.0
123.08050	1.9
125.09657	1.1
125.40585	0.8
137.09628	1.7
141.06956	1.3
143.04948	3.3
148.68962	0.9
151.05424	0.8
169.06505	5.0
171.04359	4.0
173.05956	2.6
181.06618	1.3
181.12225	0.8
183.04398	1.1
185.06023	1.4
189.16388	2.1
191.14401	1.1
195.04478	1.7
197.06053	3.8
198.03189	0.8
207.17488	8.3
208.05341	1.9
209.15291	1.4
211.03961	5.7
212.04587	0.8
213.05501	17.3
214.05836	1.3
223.07643	2.7
223.17001	1.2
224.04605	1.0
225.05609	3.8
225.18434	0.9
226.02522	1.0
239.03381	0.9
240.04179	2.3
241.05014	7.8
241.08723	1.6
242.05498	1.0
251.07115	4.8
251.16487	1.1
254.05838	2.3
269.04547	56.9
269.08017	8.3
269.14117	3.7
269.17572	74.0
269.21121	10.2
270.04788	7.1
270.15128	1.0
270.17935	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88665	1.0
57.03318	3.9
59.01250	100.0
63.68832	0.9
64.42762	1.0
71.51804	1.8
73.02815	1.6
81.46020	1.0
83.04906	1.2
99.04385	3.8
117.41561	1.0
121.06509	3.3
127.11238	1.0
130.83664	1.0
164.96864	0.9
165.12773	8.8
173.48878	1.0
174.03116	1.3
175.05995	1.0
182.03603	1.1
183.04413	1.6
189.12831	1.8
196.05220	2.8
198.03087	1.5
199.07454	1.6
207.13824	18.7
208.05284	11.0
208.14149	1.1
209.05690	1.4
209.11760	19.6
210.12111	1.8
211.04022	9.2
212.04662	2.9
213.05525	2.2
222.06607	1.3
223.07613	15.7
224.04738	1.2
224.07959	2.0
225.05540	5.0
225.09151	1.3
225.14915	10.1
226.02727	3.1
226.06221	2.4
236.04764	6.1
237.05367	1.7
239.03481	4.2
239.07170	1.7
240.04230	8.6
240.07845	3.0
241.08533	6.4
251.07130	28.4
251.12741	6.3
252.07434	2.4
254.02219	3.5
254.05815	1.7
269.04562	7.0
269.08167	44.8
269.13959	62.7
269.17508	8.2
269.21237	11.8
269.24570	2.3
270.08563	4.4
270.14334	5.9
290.14459	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	269.0818
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.00584	0.5
59.01246	4.3
71.01246	0.7
72.99175	0.6
73.40965	0.6
76.34356	0.6
93.03339	1.0
108.02048	1.2
109.02826	1.2
121.02809	1.0
121.06480	5.8
121.57027	0.6
149.02280	0.7
152.01048	1.6
152.53500	0.8
161.02332	1.9
166.00826	3.5
173.02283	0.6
174.03096	2.5
179.08549	1.3
180.05679	1.5
181.03166	2.2
181.06526	0.8
183.04424	4.1
185.06134	0.6
187.03902	1.3
194.97221	0.6
195.04439	2.4
195.08057	2.0
196.05235	7.5
197.05865	1.0
198.03123	2.6
199.03993	0.7
206.20407	0.6
208.05215	34.8
209.05856	4.4
210.06805	1.3
211.03952	14.1
212.04732	3.0
213.05539	5.5
220.01344	0.6
221.06001	1.8
222.03139	2.0
222.06781	4.2
223.03928	2.5
223.07576	47.7
224.04718	1.0
224.07904	4.4
225.05548	5.2
225.09116	5.8
226.02618	0.8
226.06271	4.6
226.09488	0.7
236.04739	22.5
236.07129	1.3
237.05414	4.9
238.94714	0.8
239.03435	9.7
239.07008	3.1
240.04225	25.7
240.07990	1.6
241.04662	2.1
241.08632	10.4
250.06396	1.2
251.07094	100.0
252.07526	9.7
254.05707	1.3
267.06699	1.1
269.04846	2.3
269.08163	62.8
269.14056	2.1
269.17529	3.8
269.21182	3.3
269.24716	1.6
270.08554	5.7
277.05173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.19739	0.4
65.00191	14.1
68.99673	1.2
69.39352	2.4
72.95943	0.4
74.67696	0.3
89.00190	3.3
90.39111	0.3
91.01765	3.4
93.03298	0.4
94.00468	0.9
97.02823	8.6
98.03185	0.3
108.02045	0.8
109.99969	1.3
121.02852	4.0
121.99956	1.0
139.03850	0.6
149.02235	0.6
149.99496	8.7
156.05716	0.4
163.00317	0.4
165.01843	15.4
165.03252	0.8
166.02159	0.7
177.01810	1.8
183.02899	0.8
184.05212	7.2
196.05241	0.6
197.05977	0.6
198.06685	0.6
199.80365	0.4
208.05232	3.2
209.05957	0.6
211.03928	1.2
212.04745	2.5
222.06819	0.8
223.07613	4.1
225.05550	1.7
225.09142	0.8
226.06252	3.1
227.07066	10.8
228.07512	0.7
236.04779	1.9
237.05365	0.5
239.03436	0.8
240.04218	1.7
241.08656	1.5
251.07118	7.5
252.07428	0.7
253.05017	3.7
254.05794	10.7
255.06114	0.9
269.08170	100.0
270.08545	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
50.95826	0.3
56.90480	0.2
57.03323	0.3
57.78300	0.3
65.00195	14.2
68.99687	4.4
71.50549	0.4
71.50927	0.3
72.99149	0.3
73.98717	0.2
75.76031	0.3
89.00208	2.8
91.01769	2.4
93.03312	0.4
94.00484	1.5
97.02827	8.1
107.01216	0.3
108.02047	0.7
109.99973	3.4
117.03362	0.6
121.02850	3.6
121.06464	0.7
122.00001	0.8
122.66070	0.3
124.01545	1.9
135.00793	0.5
136.01538	0.7
139.03923	3.7
141.06999	0.4
144.93872	0.2
145.06540	0.3
149.02315	1.7
149.99483	3.2
151.05467	0.4
153.01854	0.3
155.21220	0.3
156.05682	1.2
161.02437	0.4
163.00278	1.2
165.01837	13.0
166.02185	0.6
166.79445	0.3
169.06529	2.1
171.04442	0.4
174.03127	0.3
177.01851	6.7
178.02556	0.6
183.02928	1.2
183.04347	0.4
184.05246	3.1
188.04736	0.5
193.06549	1.2
195.04436	0.4
196.05147	0.3
197.05963	1.5
198.06787	2.1
207.17494	0.5
208.05241	3.4
209.05913	0.7
210.01585	0.7
210.06804	1.0
211.03999	1.6
212.04494	0.7
213.05461	1.1
222.03128	0.4
222.06799	0.4
223.04161	0.5
223.07585	4.5
224.08017	0.3
225.05522	7.4
225.09143	0.7
226.06313	17.3
227.06963	3.1
230.05771	0.7
233.06096	0.6
236.04755	1.0
239.03445	0.8
240.04228	1.1
241.04901	0.3
241.08618	0.8
251.07137	6.4
251.16170	0.4
252.07320	0.5
253.05049	9.4
254.05820	10.7
255.06241	0.9
258.05322	0.5
269.08179	100.0
269.12927	4.6
269.17349	1.7
269.21185	3.6
269.24823	1.4
270.08542	8.4
286.05093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78331	0.8
68.45805	0.7
68.86666	0.6
71.01273	0.8
82.81820	0.7
83.04996	0.8
103.55646	0.7
104.92197	0.8
106.04186	1.1
109.02884	0.7
111.04422	0.7
114.92821	0.7
117.03432	2.0
121.02845	0.7
121.06467	13.8
122.06938	1.1
152.56058	0.8
161.02344	4.4
163.03969	1.7
173.02351	1.7
174.03105	6.1
179.08669	1.2
180.05836	0.9
182.03638	0.8
183.04466	3.5
187.03995	3.0
195.04424	5.9
195.08180	1.0
196.05231	11.9
197.05882	1.1
197.09711	1.2
198.03159	5.4
199.03984	1.4
200.04692	0.8
201.05472	0.7
208.05231	32.9
209.05894	6.1
210.06743	3.5
211.03928	24.8
212.04640	7.0
213.05492	13.0
213.09071	0.9
214.05881	0.9
221.06036	2.2
222.03177	1.4
222.06792	5.3
223.04018	3.0
223.07591	81.9
224.04710	2.4
224.07947	7.1
225.05559	12.1
225.09122	12.1
226.06294	12.1
226.09499	0.9
227.06903	2.3
233.06061	1.6
236.04736	32.1
237.05298	2.1
239.03484	10.1
239.07022	4.0
240.04233	24.9
240.07962	2.5
241.04878	3.4
241.08678	8.6
242.08998	0.8
249.05475	1.4
250.06311	2.1
251.07108	100.0
252.07458	6.9
253.05049	2.2
254.05753	3.0
267.06519	1.2
268.07117	1.2
269.04706	7.9
269.08160	89.6
269.17642	2.6
269.21185	15.2
269.24811	3.9
270.08530	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	10.1
68.99680	5.4
69.91180	0.7
70.05033	0.7
70.99758	2.0
89.00208	1.6
89.60542	0.7
91.01755	2.1
94.00464	4.3
97.02824	7.5
109.99957	2.4
121.02839	3.5
121.99983	3.4
124.01525	1.7
139.03889	4.8
149.02263	1.7
149.99464	2.2
156.05649	1.3
163.00252	1.7
165.01833	14.2
169.06525	0.8
177.01892	6.5
184.05232	1.6
193.06546	1.0
197.06020	1.3
198.06842	1.9
212.04686	0.9
213.05560	0.8
225.05489	8.7
226.06288	19.1
227.06845	3.7
253.05014	9.2
254.05786	15.8
255.06158	1.1
269.08167	100.0
270.08505	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.03311	0.8
59.01238	0.8
63.02265	1.5
65.00191	3.5
71.01248	0.4
71.04890	0.8
73.01058	0.3
73.02824	0.5
74.42645	0.2
81.03313	0.2
83.01241	1.9
83.04885	0.4
83.06413	0.2
85.02857	0.4
87.04389	12.7
93.03335	0.7
95.04839	0.3
99.04387	0.6
102.15403	0.2
105.03327	0.7
107.01273	6.4
117.03343	24.4
118.03672	0.8
121.02840	1.6
121.06476	1.0
137.09610	0.2
141.80165	0.2
149.02348	8.9
149.84517	0.2
150.02620	0.3
151.00275	11.2
152.00571	0.5
157.06410	0.3
159.04413	2.1
161.02385	0.4
169.01491	0.3
169.06461	0.5
173.02383	0.5
174.03146	2.9
179.14314	0.9
180.05713	0.6
181.06496	1.9
181.15901	2.3
183.04445	2.2
184.05016	0.4
185.02338	0.2
187.03995	0.3
195.04440	0.4
195.08186	0.3
196.05223	1.5
197.05960	0.9
198.03151	0.6
199.07520	0.2
201.05495	2.3
207.13885	0.8
207.17468	1.0
208.05223	4.3
209.05835	0.8
209.15388	0.5
211.03960	3.0
212.04625	1.4
213.05498	1.2
221.06001	0.3
222.03123	0.3
222.06764	0.5
223.04102	0.3
223.07582	8.1
223.16916	0.3
224.04677	0.9
224.07936	0.3
225.05511	5.4
225.09024	1.3
225.14902	2.8
226.06155	1.4
227.03484	1.7
236.04732	2.5
237.05455	0.4
239.03532	1.1
239.07025	0.3
240.04242	3.0
240.07851	0.8
241.04877	0.6
241.08688	1.8
251.07111	11.8
252.07536	1.0
253.04726	0.2
269.04556	100.0
269.08084	14.8
269.13971	7.5
269.17572	8.1
269.21188	2.3
269.24576	0.5
270.04889	8.2
270.08453	1.2
270.14313	0.6
270.17874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	3,4
Peak:m/z	Relative Intensity
57.89122	0.3
62.96277	1.1
63.15676	0.3
64.68803	0.3
69.98740	0.2
71.01258	0.3
117.03343	0.4
121.06479	0.7
126.74033	0.2
134.31500	0.3
136.00836	0.3
165.01698	0.3
171.04370	0.5
183.04411	0.5
195.04448	2.3
195.08223	0.4
196.05203	1.1
197.05727	0.5
198.03090	0.6
199.03928	3.0
200.04651	0.7
208.05249	2.7
209.05994	1.1
210.03244	0.5
210.06845	0.4
211.03958	9.4
212.04681	1.3
213.05484	1.3
222.03168	0.5
222.06819	0.6
223.03969	22.0
223.07416	6.2
224.04572	3.7
224.07939	0.3
225.05547	5.2
225.08978	0.6
226.02686	8.9
226.06232	1.0
227.03325	0.8
228.04283	0.6
229.20605	0.3
233.06047	1.1
235.03912	0.9
236.04738	8.9
237.05511	2.7
238.06277	1.1
239.03461	22.7
239.07187	1.0
240.04202	8.8
240.07872	0.5
241.05005	5.8
241.08673	1.3
249.05499	0.9
250.06244	0.8
251.07111	33.5
251.23007	0.3
252.04315	1.5
252.07639	4.2
253.05011	1.2
253.08601	0.3
254.05865	2.1
267.06586	3.4
268.03796	1.5
268.07294	2.0
269.08173	100.0
269.21240	3.2
269.24832	0.9
270.08646	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
50.84582	1.4
55.01751	1.7
55.22488	1.2
57.03321	4.9
59.01250	35.6
69.03304	2.3
71.01251	50.3
71.25066	1.9
71.25427	1.8
72.01583	1.3
72.99170	5.5
73.02810	3.3
75.00739	18.4
83.01279	2.4
85.02824	38.7
87.00747	19.1
89.02312	17.6
90.51274	1.2
91.03871	1.3
95.01292	5.5
96.01090	1.2
99.00761	10.0
101.02306	8.3
103.00264	2.9
113.02328	58.1
114.02699	1.9
115.00285	2.4
117.01813	4.9
119.03333	1.4
120.99535	3.9
127.48698	1.1
129.01814	3.1
131.03391	2.2
156.32256	1.3
157.58296	1.2
159.02898	1.5
161.04466	2.3
175.02419	1.8
179.03726	2.0
205.07123	1.5
207.05054	2.5
227.59473	1.3
249.06149	6.5
255.29221	1.3
255.67879	1.3
267.07224	100.0
268.07568	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	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.8
59.01248	24.2
61.13866	0.8
70.41296	3.3
71.01254	37.3
72.99171	3.1
73.02825	2.0
75.00744	17.5
83.01250	1.5
85.02824	34.5
87.00745	14.6
87.01270	1.2
89.02308	12.3
95.01265	5.7
99.00753	10.3
101.02310	3.8
103.00253	3.2
112.01531	1.1
113.02327	47.8
114.02651	1.5
115.00263	1.0
117.01788	2.6
119.03423	1.0
119.04900	6.2
129.01787	1.9
149.04433	1.7
152.28888	0.9
157.01323	1.7
161.04445	1.0
163.03917	4.0
175.02379	2.4
193.14766	0.9
205.06989	1.3
249.06058	6.3
267.07187	100.0
268.07614	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	267.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03320	6.4
58.00462	1.6
59.01247	34.1
61.87289	0.4
67.01733	0.7
68.99676	0.6
69.03314	1.2
69.28777	3.4
71.01250	58.0
72.01587	0.7
72.99183	7.0
73.02800	2.2
75.00742	25.9
78.95766	0.5
83.01254	1.8
84.02032	0.8
85.02820	55.9
86.03140	1.1
87.00744	21.2
88.01088	0.5
88.53436	0.3
89.02313	16.5
91.03875	2.0
91.23867	0.3
95.01259	9.0
98.84708	0.4
99.00755	15.8
99.04387	0.4
101.02301	2.6
103.00248	4.4
111.00738	0.9
111.04402	0.4
112.01539	1.6
113.02326	70.0
114.02649	2.0
115.00230	3.2
117.01813	4.8
121.47126	0.3
129.01816	4.4
130.99728	0.6
131.03401	1.5
139.00259	0.7
149.04416	1.9
157.01331	1.2
161.04329	0.4
175.02396	2.9
192.70348	0.4
205.07137	1.3
207.04997	2.8
211.12325	0.4
244.82364	0.4
249.06104	5.7
250.06581	0.4
267.07187	100.0
268.07495	5.0
268.50089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	7-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
55.26488	0.2
59.01237	1.1
67.36295	0.2
71.01253	1.6
73.02794	0.4
85.02816	0.6
86.41137	0.2
87.00716	0.3
89.02292	0.4
97.02807	0.2
99.00751	0.2
101.02329	1.1
112.22334	0.2
113.02332	0.9
119.03389	0.2
156.24818	0.2
161.04459	0.6
180.05916	0.2
211.03894	0.2
221.05988	0.4
223.16960	0.2
224.04732	20.5
225.05122	1.6
229.21910	0.3
239.07094	5.3
240.07474	0.4
248.04703	0.3
249.05486	0.5
251.03528	0.2
252.04245	12.7
253.04585	0.8
267.06598	100.0
268.06927	8.4
284.00357	0.2
284.03232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.066
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
59.01243	0.6
69.33028	0.5
69.33439	1.9
71.01244	0.7
85.02819	0.4
89.02251	0.3
98.28344	0.2
101.02325	0.7
119.03407	0.3
127.20454	0.2
142.74722	0.3
196.05295	0.3
211.03882	0.4
221.06020	0.3
224.04713	1.0
238.05940	0.4
239.07002	0.4
249.05560	0.8
251.00800	0.6
251.03461	26.7
252.04224	66.0
253.04581	5.8
259.02472	0.3
267.06592	100.0
268.06931	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	267.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19335	0.5
57.03340	0.5
59.01245	4.4
60.93145	0.4
61.69331	0.5
65.03866	1.7
71.01254	3.8
71.51761	0.6
73.02842	1.3
76.25729	0.4
83.01287	0.4
85.02863	1.4
89.02359	2.0
89.03851	0.9
93.03378	1.1
95.01299	0.6
97.44061	0.4
99.00800	0.6
101.02345	2.6
105.05495	0.8
113.02377	1.9
114.09430	0.5
117.03411	0.9
119.03409	0.5
133.02861	0.4
145.02802	0.4
158.03700	2.2
159.02942	0.6
161.02342	4.1
161.04478	1.2
174.03201	1.1
178.07837	1.8
179.08629	1.6
180.05754	0.7
182.03598	0.5
183.04327	0.5
193.06506	10.7
194.06873	1.1
195.04457	1.6
198.03174	0.9
205.06564	1.6
205.16008	0.5
211.03917	1.7
219.04457	2.4
220.05240	11.0
221.06021	34.0
222.06485	3.6
223.03986	1.6
223.07576	2.0
223.16989	1.8
224.04738	6.4
225.05457	1.3
230.83315	0.4
231.85059	0.5
235.03908	0.7
237.05566	2.3
238.06209	2.1
239.03439	0.9
239.07079	5.1
240.07813	0.9
248.04758	4.1
249.05533	100.0
250.05878	8.8
251.03427	0.6
252.04247	7.1
253.04861	1.3
266.05832	0.8
267.06604	32.5
267.10983	0.9
267.16055	4.0
267.19614	1.1
268.07227	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	261.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.2
70.02863	9.0
71.50047	1.2
72.04422	5.8
74.02346	100.0
75.02691	1.0
81.03356	0.7
84.04425	1.6
88.62206	0.7
89.03847	2.1
93.03358	0.8
93.98809	0.7
95.04900	1.9
98.02359	24.4
100.23493	1.0
105.03348	1.1
107.61023	0.7
116.03430	51.4
117.03308	4.5
119.01235	1.1
121.02881	2.6
121.12059	0.7
128.03416	5.6
132.04462	29.9
133.02841	2.6
133.04808	1.7
143.66644	0.7
144.04456	6.9
145.02850	1.6
161.02350	5.5
175.03918	1.0
175.07404	1.1
177.01834	1.3
187.09685	0.9
189.01863	7.3
189.05632	0.8
190.02635	0.8
198.09279	1.0
201.06667	12.5
205.01396	1.6
208.00063	0.9
217.01373	3.4
217.09799	1.3
218.02097	1.2
219.07735	2.6
233.00833	2.0
243.06621	1.0
261.00348	8.0
261.04453	1.5
261.08859	22.8
261.11621	1.1
261.22186	2.7
262.01160	1.8
262.10883	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	265.1808
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
55.09725	0.4
57.03324	9.7
59.01246	3.9
71.01254	4.4
71.17778	0.4
73.02855	0.6
78.95784	1.1
83.04896	2.1
85.02821	1.1
95.01266	0.8
95.04903	0.6
96.95874	0.9
98.19804	1.7
101.02325	1.1
106.00704	0.6
113.02351	0.8
123.08021	3.2
125.09566	0.7
135.04346	0.9
137.13860	0.5
141.09132	4.3
161.04500	0.5
177.05518	0.7
177.12717	0.9
181.12274	0.6
189.12660	0.5
195.13916	0.7
205.15919	1.2
214.02138	0.5
221.19046	7.1
237.05629	0.5
247.17072	0.6
248.07162	1.5
264.96347	0.7
265.04938	1.6
265.18076	100.0
266.08264	0.7
266.18390	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	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
69.29928	0.6
72.99176	10.7
73.03916	0.6
75.00752	3.6
77.41327	0.7
79.95605	6.4
80.96383	1.8
81.03306	1.2
93.03326	17.2
96.95889	2.8
107.04911	1.8
119.04913	38.6
120.05222	2.0
120.99464	0.7
126.05605	0.6
135.04411	21.3
135.30264	0.7
136.04814	1.1
137.06001	0.8
163.03915	25.3
164.04234	1.9
181.04974	70.3
182.05299	3.5
199.00629	15.7
215.00122	7.0
242.99585	0.9
261.00729	100.0
262.01108	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	261.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20773	0.3
59.01276	0.5
61.35788	0.3
65.13237	0.3
69.71371	0.5
69.71779	1.4
80.42914	0.3
98.32790	0.3
106.04120	3.7
117.03370	0.3
121.02867	0.7
133.02867	1.2
134.03633	0.4
138.03128	0.5
145.02866	0.8
146.03656	0.8
161.02341	1.6
162.03134	0.7
163.03955	0.4
173.02341	1.7
175.00359	0.5
177.01730	0.5
181.38353	0.4
189.01857	6.0
190.02640	30.0
191.03030	2.3
204.00613	0.3
217.01367	29.6
218.02135	25.8
219.02461	1.8
246.01660	100.0
247.02008	6.6
261.04022	20.2
262.04340	1.8
278.00586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01249	1.8
60.42684	1.0
71.01241	2.3
71.49026	1.4
71.97717	0.9
72.99193	1.2
74.02345	1.2
78.95773	100.0
80.96392	2.5
85.02856	1.2
85.54607	1.0
85.73636	0.9
87.05475	1.3
96.04382	0.9
96.95924	9.8
96.96835	93.5
138.96951	4.2
138.97932	4.9
153.29533	1.3
162.83774	1.1
168.98965	2.2
213.05150	2.5
216.90549	1.5
259.01907	11.7
259.05872	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	257.0816
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
51.41312	0.7
54.66886	0.6
56.73047	0.7
57.03324	1.0
59.01238	1.4
71.51308	0.9
81.03326	5.1
93.03313	1.2
108.02019	3.4
122.03619	37.1
123.00779	1.4
123.03938	1.9
125.02360	4.1
136.01445	1.0
137.02344	5.1
153.01793	1.1
154.02599	1.4
155.10640	0.7
156.05768	0.7
169.06514	1.6
169.10094	3.3
171.06651	1.0
171.08064	14.1
172.08408	1.4
174.03064	0.8
189.01964	0.7
200.04544	1.4
211.07639	0.8
213.09146	100.0
214.02632	2.0
214.06232	0.9
214.09476	7.5
227.03371	1.2
228.04135	2.3
228.07962	0.8
256.23700	3.5
257.08176	88.8
257.13797	2.0
257.17520	1.5
257.21426	1.0
257.23743	3.6
258.08463	8.0
265.69986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54611	1.5
57.03293	1.8
58.02818	1.9
59.01236	2.8
63.86052	1.8
69.30273	2.1
69.30673	14.3
71.01240	15.7
72.99159	2.5
75.00750	2.6
75.62720	1.5
78.91737	2.0
87.04395	5.2
98.02351	26.3
98.16814	1.6
104.04925	1.9
113.02328	1.7
118.06525	2.0
136.07562	7.4
144.08092	6.2
146.09648	7.2
258.13428	100.0
259.13806	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	259.0223
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
59.01259	3.4
66.86698	1.1
69.00638	1.3
70.37627	2.1
70.38000	4.1
71.01250	4.4
72.99167	1.4
74.02322	2.8
78.95775	79.9
79.74380	1.3
80.96394	4.4
83.01257	1.5
87.00774	1.5
87.05495	2.9
89.02293	1.7
96.95911	20.0
96.96837	100.0
99.00749	1.6
101.02345	2.2
138.96921	4.1
138.97917	4.6
168.98924	3.1
178.99998	1.2
199.00186	2.6
213.05136	5.3
241.01172	2.2
241.04738	2.6
259.01788	31.0
259.05542	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	256.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49986	0.3
71.50370	0.3
74.79443	0.2
78.19890	0.2
91.01785	0.3
93.03325	0.3
113.23409	0.2
125.02310	0.3
139.05415	0.9
145.02840	0.5
155.04881	0.3
167.04948	2.6
169.47125	0.2
171.04437	0.7
173.02399	0.7
174.03175	0.4
181.70787	0.2
182.03581	0.6
183.04443	7.0
183.05972	0.5
184.05219	2.4
185.02377	0.3
187.03882	0.4
195.04439	1.1
199.03920	4.0
200.04715	8.2
201.05513	1.7
210.03152	1.9
211.03940	100.0
212.04591	16.1
212.39536	0.2
213.05144	1.2
224.04643	0.4
227.03455	7.9
228.04178	1.4
228.22173	0.3
239.03462	0.7
239.07115	0.8
240.03870	0.3
244.03754	0.3
255.02945	0.4
255.06523	0.3
255.21190	0.5
255.23262	26.4
256.03754	37.2
256.07349	6.9
256.23605	11.9
257.04178	3.7
257.08157	13.4
257.23880	0.3
262.60504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.066
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
56.79397	0.3
60.92667	0.3
63.02267	5.6
65.00191	8.8
67.01728	0.4
68.99673	0.7
69.45693	2.5
83.01253	7.9
95.01231	0.4
107.01271	10.0
108.02053	1.3
108.47739	0.4
123.00757	0.9
125.02325	0.7
130.04131	0.4
133.02863	0.6
136.01555	1.0
140.49889	0.3
141.07001	1.2
145.06487	7.0
146.06845	0.6
151.00275	12.0
152.00613	0.5
158.05240	0.3
164.01050	1.7
169.01318	0.5
169.06511	3.3
171.03058	0.6
171.04431	7.9
172.05212	1.9
183.08072	1.2
185.06017	2.7
185.36247	0.3
187.07588	2.8
188.08015	0.3
188.28426	0.3
193.06567	0.7
211.03986	0.5
211.07567	3.8
212.07886	0.4
213.05507	11.0
214.05779	0.7
218.50266	0.3
227.07140	0.8
255.06598	100.0
255.23264	8.7
255.25938	0.4
256.06958	10.1
256.09665	0.5
256.23520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25596	0.2
59.92262	0.2
69.94422	0.7
69.94847	0.4
76.80374	0.2
82.19128	0.2
83.01259	0.2
86.87320	0.2
100.28019	0.2
139.05424	0.8
145.02901	0.3
145.06456	0.2
155.04951	0.4
156.69159	0.2
167.04959	3.2
168.05220	0.2
171.04399	0.5
173.02403	0.3
174.03091	0.3
182.03568	0.4
183.04439	6.9
184.05225	2.8
185.02272	0.2
185.05679	0.2
187.03909	0.4
188.72064	0.2
193.02872	0.4
195.04463	0.7
199.03938	2.0
200.04720	3.7
201.05518	0.7
210.03189	1.6
211.03946	100.0
212.04578	17.2
213.05203	1.0
213.09135	0.3
214.05870	0.2
227.03444	4.9
228.04164	1.1
239.03357	0.5
239.07149	0.4
244.03789	0.4
255.03041	0.4
255.21182	0.1
255.23268	8.3
256.03757	29.7
256.07132	3.3
256.23627	3.0
257.04135	2.5
257.08157	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	253.0504
Annotation	Chrysin
Peak:m/z	Relative Intensity
50.17459	0.2
59.01248	3.5
60.95659	0.2
63.02266	8.0
64.02599	0.3
65.00191	3.7
68.83187	0.2
69.33789	1.6
71.01237	0.8
73.02837	0.2
79.01730	0.3
83.01255	0.3
83.80975	0.2
88.90932	0.2
89.00195	0.6
89.02305	0.8
98.19844	0.4
101.02350	1.2
101.03843	0.8
107.01271	4.0
113.02306	0.4
114.97202	0.2
115.05390	0.4
119.03418	0.3
119.04919	1.6
121.02847	0.3
129.49779	0.2
136.98615	0.4
139.05440	0.4
141.97612	0.2
143.04922	5.6
145.02847	2.2
146.03166	0.2
148.01653	0.3
151.00311	1.0
152.06226	0.3
153.07039	0.3
161.04492	0.3
165.06987	1.1
167.04916	1.0
180.05716	0.7
181.06517	1.5
182.06871	0.2
183.04462	0.3
185.05977	1.0
187.03864	0.4
195.04431	0.5
196.05223	7.9
197.05637	0.7
197.09554	0.3
208.05292	0.2
209.06000	4.2
209.15303	0.3
210.06367	0.2
211.03943	1.2
224.04771	0.3
225.05623	0.4
225.09149	11.4
226.09563	1.1
253.05026	100.0
253.08693	3.2
254.05357	9.1
254.09189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	54.8
66.93507	1.3
69.69350	2.3
69.69779	6.9
71.01262	11.4
72.99181	6.7
73.18801	1.3
75.79709	1.3
83.01255	1.8
85.02822	2.7
89.02315	9.1
91.44647	1.5
95.01238	1.9
96.87391	1.2
98.19859	1.9
101.02332	11.0
113.02338	3.8
117.03340	4.7
119.03414	2.0
119.42526	1.4
134.03630	100.0
135.03960	4.4
149.05986	26.1
150.03143	9.7
150.06386	2.2
161.04462	5.2
165.05446	8.5
178.02655	4.8
179.05524	2.3
193.05000	41.4
194.05360	4.0
211.06073	68.7
212.06361	4.9
253.09209	10.1
253.21683	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	251.165
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
50.99434	0.4
52.88417	0.3
53.05415	0.3
55.49079	0.3
57.03304	0.6
59.01247	1.8
69.92518	1.8
71.01247	1.4
76.91484	0.3
83.04863	0.6
85.02818	0.6
89.02323	0.5
91.01733	0.5
93.73283	0.3
98.19902	0.4
101.02312	1.3
113.02347	0.8
121.02782	0.4
121.06407	0.3
135.00847	0.5
137.09641	0.9
153.44856	0.4
161.04477	0.6
178.99693	0.4
188.14626	0.3
189.16406	0.7
205.15906	8.4
206.16258	0.5
207.17458	2.1
208.05235	2.1
222.03256	0.5
223.07600	2.0
223.16891	0.4
233.06049	1.1
233.15475	0.5
236.04700	2.3
237.87318	0.4
250.98367	0.4
251.07167	11.3
251.16505	100.0
252.07620	1.3
252.16838	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	251.1649
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
52.01540	0.9
56.21944	0.9
57.03319	6.4
59.01234	2.6
59.98396	2.3
69.15436	2.8
69.15843	8.4
71.01231	1.9
71.02155	0.9
71.04911	2.0
76.73916	1.0
79.95601	7.8
81.06939	2.0
82.23941	1.1
82.42523	0.8
83.04902	1.7
98.76920	1.0
99.04383	10.9
101.02354	1.6
119.08540	3.6
121.10135	6.9
137.09615	22.6
183.88518	0.9
189.16417	20.7
190.16678	1.7
207.13925	1.4
207.17471	2.6
208.05269	15.3
209.05669	1.4
222.03192	2.2
223.03888	1.7
223.07588	7.6
236.04688	7.2
251.04555	1.1
251.07123	26.2
251.16508	100.0
252.07396	6.8
252.16824	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	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03056	1.1
57.03322	19.9
59.01239	1.7
70.51817	1.8
70.52184	2.1
71.01244	2.5
78.65699	1.2
83.04884	1.5
85.02808	1.5
97.06451	1.6
99.04399	5.0
101.02312	2.4
105.53729	0.8
109.06476	1.0
119.08557	4.9
123.04396	3.2
123.85603	0.8
135.00833	1.2
137.09618	72.9
138.09947	3.7
179.14272	1.1
181.08638	4.7
191.14267	1.2
207.17461	1.5
208.05263	2.4
223.07625	2.7
233.06076	0.9
236.04866	2.3
236.10974	1.0
251.07310	5.8
251.16502	100.0
252.16801	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.3
59.01241	3.5
63.47619	0.6
69.03307	1.2
70.85233	2.7
71.01254	4.3
71.04884	6.7
72.99178	100.0
73.02824	4.8
73.99520	1.1
74.15999	0.7
75.00745	7.6
78.05865	0.7
81.03333	1.5
83.04902	3.0
83.64695	0.8
85.02818	15.8
87.03852	1.8
87.04390	36.3
88.04704	1.4
97.06467	3.9
101.02303	1.9
101.05945	3.5
115.07528	5.2
119.04938	0.9
123.08027	3.5
125.05984	7.0
133.02831	1.0
134.03618	0.9
135.04410	1.6
139.00275	1.1
139.07587	5.1
141.09085	1.8
147.04401	7.6
157.08632	1.6
159.10179	34.0
160.10503	1.4
161.04504	1.0
165.01775	2.4
179.03401	1.0
191.03436	7.9
204.04184	1.1
208.07167	1.2
209.04462	2.2
236.06902	1.3
251.09068	1.5
251.11342	22.7
252.11702	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	251.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.5
59.01234	1.9
59.98390	1.7
71.01231	1.8
73.02798	1.1
81.06968	2.4
83.02762	0.9
83.04898	1.9
85.02810	1.8
94.45113	0.9
98.72301	1.0
99.04401	9.8
101.02347	1.9
109.06432	1.0
110.29446	1.0
113.02348	1.1
119.08591	1.3
121.10133	5.0
137.09637	9.6
177.16287	1.5
189.16432	21.5
190.16766	2.6
207.17427	1.3
208.05217	2.4
223.07588	2.2
233.06108	1.6
233.15436	1.2
236.04672	1.6
251.07137	8.7
251.16513	100.0
252.16849	9.7
262.10938	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	251.165
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
52.93633	0.7
57.03323	77.5
58.03648	2.2
59.01249	3.9
69.03319	1.9
70.26235	2.8
71.01242	2.2
71.04893	1.9
81.06960	2.1
83.04921	1.4
89.02305	1.1
91.01752	0.9
92.88809	0.6
101.60079	0.7
113.02340	0.9
123.08094	1.3
135.00778	1.3
151.11182	1.0
179.14314	0.9
181.12376	0.9
182.17323	0.7
189.07166	0.7
191.14308	1.1
198.66806	0.8
205.15883	2.2
207.17484	59.5
208.05287	4.8
208.17833	6.7
222.03072	0.9
223.07626	4.6
232.05194	1.2
233.06023	3.2
233.15416	1.3
236.04707	5.4
251.07147	23.8
251.16518	100.0
252.07445	4.1
252.16832	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	247.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
69.49930	1.2
71.01255	1.3
91.01743	0.2
93.65964	0.1
103.03873	0.6
120.98544	0.1
147.00771	0.2
147.04422	0.2
173.08070	0.2
175.03888	0.2
179.07190	0.2
186.95471	0.2
197.25850	0.2
202.99796	0.4
203.07062	0.2
205.15886	0.3
218.99211	0.2
220.17024	0.6
231.13838	0.5
246.98811	0.7
247.02515	0.6
247.17004	100.0
248.08151	0.3
248.17363	9.8
267.21008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
54.77788	0.5
57.03345	0.7
59.01243	1.3
61.98697	0.9
70.00821	2.4
71.01259	1.3
71.04884	6.4
76.23259	0.4
81.03342	1.3
83.01217	0.7
95.01248	0.8
101.02258	0.5
109.02789	0.6
109.06483	1.1
121.06467	1.8
121.10123	2.7
137.09616	1.0
139.11192	1.1
139.80280	0.5
149.09612	0.7
149.13214	0.8
163.11244	0.8
165.12762	0.8
178.70209	0.5
179.10861	0.5
187.14854	1.2
189.12744	1.4
203.14304	0.9
205.08667	0.5
205.15909	22.0
206.16214	1.5
234.05231	0.8
249.07736	1.6
249.14922	100.0
250.14912	11.3
264.71478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.071
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
59.39916	0.1
71.01235	0.2
71.04879	0.2
73.02805	0.1
74.34139	0.1
79.60659	0.1
81.89124	0.1
85.02759	0.1
92.94352	0.1
98.80020	0.1
101.02345	0.1
135.00703	0.1
147.31419	0.1
171.04378	0.2
208.05251	1.8
211.03931	0.3
222.03157	0.2
223.07588	7.3
224.04689	0.4
224.07875	0.7
232.05342	0.1
233.06033	1.9
234.06665	0.3
235.03951	5.0
236.04732	25.4
237.05086	2.3
240.04262	0.3
249.05515	0.2
250.06377	0.9
251.07100	100.0
251.16261	1.2
252.07480	11.8
268.03751	6.1
268.06665	0.2
269.04074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0712
Annotation	2859-88-3
Peak:m/z	Relative Intensity
56.46405	0.2
61.75903	0.2
62.73266	0.2
71.01245	0.7
71.48836	0.4
73.02823	0.3
79.66626	0.2
85.02838	0.4
90.86821	0.2
91.01762	0.2
101.02293	0.5
113.02332	0.3
121.02921	0.2
135.00760	0.6
141.43732	0.2
143.03348	0.2
150.23424	0.2
161.04460	0.3
163.00291	0.3
189.07037	7.2
190.07260	0.5
195.07979	0.3
204.05721	0.9
205.06490	0.7
208.03366	0.2
208.05196	1.2
221.06099	1.0
222.06535	0.4
223.04092	0.3
223.07599	6.0
224.04727	1.7
224.08002	0.5
232.05208	3.2
233.06026	12.5
234.06537	1.7
235.03970	4.1
236.04735	17.7
237.05098	1.8
240.04198	0.4
249.05550	0.8
250.06342	2.6
251.07100	100.0
252.07431	9.0
268.03754	5.5
269.04160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
59.48347	1.1
61.98698	6.1
64.43156	1.0
67.01731	1.5
68.96180	1.2
68.99708	1.2
69.03326	53.9
71.50578	1.8
75.17569	1.1
76.44581	1.1
79.01762	7.2
81.03323	4.1
82.02853	1.8
85.02836	6.0
92.60788	1.0
93.03362	2.0
95.01254	16.3
97.02830	28.3
98.03155	1.2
107.01274	13.3
108.02056	97.0
109.02850	40.0
110.02371	5.9
111.00768	2.8
121.02844	30.7
122.03168	2.0
123.00764	15.6
124.01572	1.6
125.02343	45.7
125.03264	2.5
126.02657	2.9
135.00780	68.7
136.01097	4.0
137.02345	52.7
138.01791	1.5
138.02707	2.7
141.06949	1.2
151.00288	3.6
152.01059	100.0
153.01466	4.9
169.06500	7.1
197.06009	56.0
197.90482	1.3
198.06270	6.3
199.13353	1.5
200.05516	1.2
207.10251	1.5
213.05522	12.1
215.07106	9.3
225.11238	1.9
243.02890	2.5
243.06595	55.3
243.12257	3.3
243.15976	2.9
244.06926	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	247.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65087	0.3
66.01968	0.3
69.87828	1.6
71.01257	0.5
73.75404	0.3
91.05421	0.5
103.03861	0.5
107.04881	0.6
117.03371	0.5
119.04919	1.2
121.02849	0.4
125.02326	0.7
133.02806	0.5
135.04404	1.3
140.51637	0.3
145.01982	0.3
145.02879	2.9
147.04437	3.6
147.06555	0.3
149.02339	0.5
159.04381	0.6
161.02296	0.9
163.03897	3.3
173.02356	3.4
174.03072	1.2
174.85774	0.3
175.03899	2.8
176.01036	0.6
176.04263	0.3
177.01901	0.5
177.05551	0.3
183.40401	0.3
185.07806	0.3
190.02637	3.5
191.03423	14.8
192.00504	0.3
192.03757	0.9
201.01930	0.6
203.03421	1.4
205.01448	0.3
218.02032	0.6
219.02942	6.5
220.03207	0.6
229.01317	0.4
246.01697	0.7
247.02440	100.0
248.02805	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	237.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	10.7
56.20515	1.7
57.03317	10.3
58.00461	4.0
59.00960	3.6
59.01250	71.0
70.01482	7.8
71.01251	100.0
71.82865	1.6
72.99173	6.1
73.02817	38.9
75.00751	12.0
83.01257	19.4
85.02818	55.8
87.00747	6.8
89.02309	15.3
95.01251	6.9
98.19825	2.6
99.00744	15.8
101.02320	91.5
102.02631	2.1
111.00754	3.8
113.02323	38.0
115.00248	6.1
120.99529	7.3
125.02311	3.0
129.01796	1.9
150.12173	2.0
159.02884	9.8
161.04457	35.0
186.61006	1.8
237.09714	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.6
59.96598	0.4
60.01571	0.3
69.03339	0.3
74.98941	12.1
75.96086	0.4
75.98888	0.5
77.21201	0.3
78.12344	0.3
84.25633	0.3
85.02815	1.1
87.00732	1.8
91.02077	11.2
92.02030	0.4
93.00002	5.7
98.19666	0.5
101.02264	0.3
109.02882	0.3
117.01776	0.7
117.08881	0.3
118.65958	0.3
123.00777	0.4
149.00851	5.5
150.00813	0.5
150.98854	0.4
159.02824	0.4
161.04433	1.9
179.05525	7.9
180.05765	0.5
192.07996	0.3
195.13791	0.6
206.99655	3.0
210.03116	0.4
221.05992	0.5
223.02769	100.0
224.02803	13.0
224.04749	1.4
239.07320	2.2
239.12798	0.9
239.16548	0.9
241.03864	1.8
242.03845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90307	0.3
56.97885	1.1
57.03304	0.4
59.01227	1.3
59.23100	0.3
61.98678	0.4
68.91988	0.4
71.01228	1.0
71.51137	0.3
73.02806	0.5
75.00751	0.6
79.05392	0.5
79.95627	1.7
81.03313	0.5
83.04908	0.5
85.02785	0.3
95.08549	0.5
98.98977	27.9
99.99299	0.9
101.02295	0.4
109.23954	0.3
113.02295	0.4
119.08564	0.8
121.02884	0.4
121.06470	9.3
122.06763	0.4
135.04466	0.4
137.09613	27.2
138.03079	0.4
138.09956	1.8
145.06488	0.7
159.08069	0.7
160.08794	1.0
161.09612	7.2
171.06831	0.3
179.71490	0.3
187.07550	3.5
193.08589	0.8
196.99902	0.5
203.10696	100.0
204.11011	8.5
237.09502	20.3
237.14778	0.4
238.09790	1.7
253.81596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
50.01185	0.6
50.39877	0.7
57.03311	2.6
59.01244	3.1
63.64591	0.7
70.68623	2.1
71.01262	5.3
72.99168	2.2
75.00751	4.9
76.90347	0.9
79.86387	0.8
85.02822	2.8
87.00748	100.0
88.01093	2.8
89.02294	2.7
97.21850	0.7
101.02317	2.2
102.39725	0.7
111.00758	1.2
113.02290	1.5
115.00241	2.1
120.99519	3.5
129.01816	11.2
133.01263	0.9
139.03917	0.9
144.22813	0.8
147.02911	0.8
160.14259	0.8
237.05954	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	237.007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.5
57.20204	0.8
59.01250	7.2
67.39010	0.8
69.78857	1.9
69.79263	3.9
71.01249	36.6
71.68542	0.8
72.29123	0.8
72.99156	1.7
73.02812	3.8
73.19934	0.7
74.11036	0.8
74.98965	8.2
75.00742	6.5
79.95553	1.6
80.96376	3.4
83.01268	1.7
85.02826	8.5
87.00745	35.5
87.02606	2.6
89.02316	1.9
90.98478	8.6
99.00753	1.5
101.02312	7.6
105.00035	10.9
105.03710	7.0
111.00745	1.4
113.02312	3.3
115.00254	63.7
116.00579	2.3
120.99538	100.0
121.99860	0.9
125.02332	4.0
129.01826	3.4
130.19612	1.1
133.02847	2.2
135.01158	1.2
135.02800	0.9
135.04390	2.0
136.99037	2.8
143.03395	1.1
148.99046	5.1
149.02693	8.1
149.06024	1.5
161.04417	2.5
175.04008	1.4
177.78674	0.8
179.00113	3.6
179.03433	2.0
193.01509	1.8
193.04994	2.5
205.03456	2.6
207.86818	0.9
216.69705	0.9
237.00722	12.6
237.04153	10.0
237.06140	2.7
237.09785	2.6
248.44667	0.9
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	Farnesoic acid
Peak:m/z	Relative Intensity
59.01245	18.7
67.43999	2.7
69.97519	5.3
69.97934	9.2
71.01248	8.6
83.01241	2.9
85.02826	3.7
97.95995	3.3
98.20503	3.3
101.02303	7.4
102.49739	3.0
113.02285	3.7
191.07043	6.9
218.81526	3.1
235.06058	13.0
235.09789	5.7
235.13348	5.5
235.17003	100.0
236.17230	10.9
241.61189	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	236.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
63.93347	0.3
69.03318	0.4
71.01265	0.6
77.61803	0.3
81.92532	0.3
85.02834	0.3
91.77322	0.2
101.02337	0.4
134.03622	0.8
135.04405	0.3
136.05188	0.6
148.05197	10.5
149.05650	0.6
149.09625	1.6
159.08098	0.3
175.07533	0.5
176.08327	0.8
177.09113	44.3
178.09456	3.8
190.09908	1.6
191.10635	0.9
192.11470	31.8
193.11908	2.9
193.15910	0.7
201.09149	0.8
203.06992	0.4
206.09332	0.5
207.03014	0.4
217.08632	3.2
218.09418	8.4
219.09775	0.9
236.10483	100.0
237.08301	0.5
237.10863	10.1
237.14914	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	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33347	2.0
57.03320	2.9
59.01249	45.1
62.74402	2.0
67.01768	2.4
70.64245	4.6
70.64619	3.7
71.01257	12.4
71.04883	5.3
83.01294	3.5
84.23122	2.0
85.02812	2.9
86.02306	2.3
87.00737	2.5
88.83221	2.1
93.03326	10.9
99.00745	4.1
104.03413	31.2
111.00785	5.2
124.46172	2.0
129.01817	6.6
146.08162	3.0
173.04510	9.2
188.09172	2.9
209.30800	2.1
233.04550	4.4
233.06616	6.8
233.15427	100.0
234.09799	39.0
234.15793	7.9
241.52271	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	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24192	0.3
59.01251	3.8
59.96596	0.7
60.97378	0.7
69.42062	2.1
71.68602	0.2
74.98940	7.4
74.99361	0.4
75.96095	0.3
75.98874	0.3
76.56565	0.2
80.37423	0.3
86.58277	0.3
89.25190	0.3
91.02103	0.9
93.00013	3.8
93.03334	1.1
105.18866	0.3
118.96140	1.1
134.99294	6.5
135.99251	0.5
136.97220	2.2
141.07295	0.5
143.05150	0.4
149.00862	72.4
150.00815	4.7
150.98773	1.1
153.93867	0.3
159.08374	2.2
160.37224	0.3
161.02463	0.3
161.06316	4.2
167.01859	0.3
169.23724	0.3
173.04424	0.9
193.54987	0.3
201.03877	0.4
215.05481	1.7
217.07152	100.0
218.07294	10.6
223.82649	0.3
233.10291	98.5
233.15233	8.3
234.10425	11.9
234.15627	0.5
235.08188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03291	0.6
58.32467	0.3
59.01217	0.8
59.50959	0.3
63.16007	0.4
67.24385	0.4
69.03299	0.6
71.04859	0.9
81.03284	0.6
83.04895	4.2
85.07791	0.4
89.60543	0.4
95.01247	0.5
111.00697	0.5
111.08035	0.8
112.26698	0.4
113.09598	3.5
123.08051	0.4
130.39972	0.4
137.02338	0.6
139.11115	0.5
140.81924	0.4
143.10637	1.1
155.80605	0.4
157.55531	0.4
158.03542	0.5
163.11194	0.6
165.12747	20.3
166.13101	1.6
183.13818	100.0
184.14160	8.1
199.03886	0.6
199.07619	0.6
209.09900	0.8
209.11761	9.5
209.15283	2.9
210.12091	1.0
212.04626	0.5
213.05571	0.6
227.03458	1.3
227.07294	3.2
227.09264	1.0
227.12869	18.6
227.16428	13.9
227.19916	2.7
228.07593	0.7
228.13167	1.8
228.16803	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	230.0666
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
57.03291	1.1
58.30769	1.2
59.01240	6.0
65.99725	2.9
66.03359	1.1
67.20109	0.8
68.01274	2.9
69.03325	3.1
70.56902	2.4
70.57259	1.5
71.01259	7.9
72.99169	4.6
73.02810	4.2
75.00777	1.1
81.03330	2.9
82.02875	1.1
83.01243	2.3
84.50097	0.9
85.02811	3.4
86.02390	0.9
87.00755	33.0
94.02869	2.0
95.14623	0.9
96.00771	3.1
96.04433	1.1
97.02816	3.4
98.02383	2.6
99.00755	2.4
101.02343	0.9
103.00254	3.4
106.02871	1.3
108.04465	1.0
109.02837	15.7
110.02319	1.7
111.00765	3.1
112.00258	3.1
112.03903	1.0
113.02338	2.9
115.00242	4.9
121.02832	2.3
123.00787	1.6
123.04410	2.3
124.03927	5.4
125.02332	8.9
126.01878	2.9
127.00259	2.5
127.03896	12.6
129.01804	1.4
132.04480	5.6
138.01839	1.5
139.00217	1.1
139.03909	1.9
141.01869	2.3
142.01369	2.2
142.99707	1.4
149.02356	1.3
150.01819	4.7
150.05502	4.0
153.01848	5.4
154.99757	1.2
166.04982	1.8
168.02931	1.7
169.01349	2.1
171.02910	25.0
176.03456	15.5
189.04002	5.6
194.04482	11.2
212.02046	1.3
212.05589	3.6
230.02953	3.7
230.06648	100.0
231.06975	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.24644	0.3
55.15774	0.3
55.64110	0.3
57.03316	0.4
61.61851	0.3
69.34732	3.1
71.04900	0.4
80.02557	1.7
81.03327	1.6
83.01273	0.4
83.04898	7.2
84.02037	3.9
87.76026	0.4
93.03318	0.4
95.04896	0.8
97.06452	0.5
98.19830	0.6
109.06465	0.6
116.15746	0.3
119.40962	0.3
125.05981	0.7
125.09640	0.3
135.08069	0.8
155.91508	0.3
158.95508	0.3
163.11182	5.9
164.11449	0.5
165.12775	3.8
166.13176	0.4
181.12247	1.5
183.13875	0.6
191.10739	1.7
209.11761	100.0
210.12111	7.3
227.03357	0.9
227.07121	1.9
227.12767	3.3
227.20197	0.4
248.71384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1127
Annotation	Stagonolide
Peak:m/z	Relative Intensity
57.03325	4.5
58.48388	1.6
59.01246	3.7
59.76333	1.6
68.99670	4.7
69.03312	9.8
69.54658	13.3
71.01243	2.3
71.04901	2.7
71.70167	1.9
73.02803	1.8
78.31245	1.9
81.03326	10.4
83.02247	1.6
83.04886	7.2
85.02811	16.2
87.04385	18.3
90.13092	1.7
93.03330	4.8
93.06970	14.0
95.01254	3.9
95.04897	15.4
97.02827	6.4
101.02302	10.4
101.05936	3.9
104.58453	1.9
107.04900	4.7
108.02048	3.4
109.02848	5.6
109.06467	38.6
111.04404	9.1
111.08046	12.1
119.04930	3.5
121.02845	1.7
121.06464	14.6
123.00725	2.2
123.04439	8.4
123.08045	13.7
125.02341	12.1
133.62473	2.0
135.04391	2.9
137.02362	2.9
137.05981	39.2
137.09558	2.1
138.03128	16.7
138.06232	2.6
139.07541	93.8
140.07866	4.5
151.03912	2.1
153.05478	24.9
155.03355	4.4
163.03934	3.9
163.11197	5.1
165.01888	3.9
165.05476	4.9
180.04265	3.8
181.05023	4.1
189.09073	4.0
195.02858	4.5
195.06459	2.1
207.10214	6.4
210.05217	4.1
225.03868	3.1
225.07593	6.1
225.11258	100.0
226.11549	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	225.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08805	0.6
59.01252	1.3
60.33709	0.6
67.01755	0.6
68.99679	1.2
71.05270	1.6
81.03340	0.8
81.53878	0.6
83.42611	0.6
93.03358	1.7
95.01254	1.4
101.02332	1.7
107.87453	0.7
109.02831	2.6
109.06486	0.8
112.57077	0.6
121.02818	1.5
123.00741	1.0
123.04388	1.1
124.01511	0.7
137.02342	23.5
137.05913	1.3
138.03070	1.5
139.07527	2.8
151.03938	0.9
153.05487	1.4
153.99411	0.6
163.11116	0.9
165.01839	100.0
166.00848	1.1
166.02158	6.1
166.06262	1.8
179.03384	1.6
180.04193	94.8
181.04538	6.1
184.79865	0.6
195.02913	34.7
195.06551	72.0
196.03246	1.6
196.06885	6.4
207.10194	0.9
210.05264	44.2
211.05573	2.7
225.00635	0.6
225.07629	32.3
225.10910	3.3
226.07956	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	225.1128
Annotation	Phomolide B
Peak:m/z	Relative Intensity
57.03309	5.8
59.01238	3.7
66.97307	1.1
68.99677	4.1
69.03315	8.6
70.72041	3.3
71.01244	1.4
71.04881	1.7
73.02796	1.1
80.02504	1.3
81.03327	8.9
83.01222	1.4
83.04905	9.4
85.02834	10.5
87.04393	15.7
91.36301	1.2
93.03364	5.9
93.06979	14.9
94.07236	1.5
95.01252	2.0
95.04900	14.0
97.02819	7.2
97.06493	1.2
101.02306	5.8
101.05948	2.9
106.04116	1.6
107.04913	6.7
108.02043	2.5
109.02836	2.2
109.06474	43.0
110.06776	2.9
111.04406	10.6
111.08027	13.2
113.05988	1.8
117.88467	1.4
119.04932	3.2
121.02807	1.8
121.06480	14.7
122.03623	3.6
123.00778	1.8
123.04395	5.1
123.08047	13.2
125.02350	3.7
135.04431	3.0
135.37874	1.3
137.02341	3.4
137.05991	39.9
137.09634	1.8
138.03137	1.7
138.06355	2.8
139.07545	100.0
140.07889	5.5
149.02341	1.6
149.27081	1.2
151.03918	2.3
153.01843	1.3
153.05473	1.6
155.03392	1.5
163.11189	4.2
165.01852	4.5
165.05470	5.4
167.07024	1.3
180.04216	4.7
180.07829	4.8
181.04956	2.2
181.08620	3.0
181.12306	2.3
189.09105	5.6
192.07848	3.5
195.02911	4.1
195.06543	3.9
195.10133	2.0
207.10188	8.8
208.10663	1.3
210.05281	5.3
210.08954	1.4
217.28496	1.2
225.03912	2.4
225.07634	6.4
225.11275	96.3
226.11635	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	223.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.6
65.00211	0.8
67.01746	0.7
69.18565	5.2
69.18964	0.8
74.34318	0.5
83.74512	0.5
91.01775	0.6
93.03334	10.2
98.20576	1.3
109.02841	1.6
119.04802	0.6
121.02837	21.4
121.03683	1.2
123.00787	0.8
127.72583	0.6
134.03604	0.7
135.04411	8.8
136.01581	0.7
137.02324	2.9
137.60419	0.6
138.47165	0.5
139.00371	0.7
149.02342	46.7
150.02727	2.7
151.03925	1.5
152.01045	16.3
153.01561	0.8
163.03918	13.2
164.04694	31.7
165.01852	10.2
165.05042	2.2
166.99895	0.8
167.03423	3.4
169.03662	1.1
169.04977	7.9
179.03490	1.1
179.07060	13.6
179.10666	1.1
180.04161	1.1
180.07579	0.6
193.01344	59.0
194.01683	4.3
195.02914	1.0
207.02910	1.1
208.03705	100.0
209.04050	8.0
209.17375	0.6
222.98711	1.3
223.06058	52.6
223.13278	1.4
224.06386	4.5
226.01024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
50.23531	0.6
57.03311	1.6
59.01245	7.6
64.37531	0.7
69.03323	7.4
69.43353	5.8
71.01248	0.9
71.04874	1.7
83.04910	1.3
85.06465	2.1
87.21644	0.6
92.28539	0.8
93.03347	0.9
95.04941	0.9
97.46095	0.7
97.60336	0.7
98.19740	0.9
109.06456	2.4
135.11661	1.2
137.09613	0.7
141.09081	1.1
149.09653	1.7
161.13298	1.5
167.10693	11.0
177.12816	1.3
179.10744	4.5
179.14342	10.6
193.01387	1.8
195.12048	1.7
195.13843	29.2
196.14172	2.1
205.12274	24.4
206.12547	1.8
208.03708	2.1
223.02631	1.8
223.06201	1.5
223.13347	100.0
224.13699	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	217.1076
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03321	22.6
59.01245	5.9
65.82162	0.8
69.51662	1.3
69.52068	5.1
71.04884	1.9
72.99151	1.1
83.04889	2.4
85.02835	4.9
85.06461	42.1
86.06778	1.8
87.04385	63.9
87.08030	3.1
88.04691	1.8
95.04903	1.3
97.06470	4.4
97.09403	1.0
98.20556	1.6
99.08044	5.2
101.05963	16.2
101.09620	1.6
111.04430	1.1
111.08021	3.0
113.05979	2.2
115.07537	28.9
125.09563	4.4
126.14623	1.0
129.09105	39.1
130.09459	1.0
131.07031	1.9
137.09573	3.5
139.07520	1.2
141.25584	0.8
155.10683	3.6
157.08583	2.1
171.10165	1.6
173.11737	23.3
174.03131	2.6
174.12169	1.3
189.05540	1.2
190.06238	1.1
199.09651	1.9
202.02567	2.1
217.01445	2.1
217.04996	3.4
217.10753	100.0
218.11072	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
59.96584	1.0
61.98688	0.5
70.99342	0.4
71.01255	0.3
73.01050	0.2
73.02824	0.4
74.98942	16.4
75.96098	0.9
75.98907	0.4
93.00008	9.4
93.03362	0.3
101.02335	0.3
107.42001	0.2
119.99052	0.2
121.02821	0.5
123.00779	0.2
123.04391	0.2
135.04340	0.3
137.02332	0.3
149.00865	12.5
149.02254	0.9
150.00946	0.7
150.98776	0.7
151.03860	0.2
152.01088	0.2
159.08815	0.2
163.03806	0.2
164.04715	0.5
165.01811	0.4
166.06277	0.3
169.04939	0.2
175.28592	0.2
179.07072	0.4
179.14372	0.2
180.57797	0.2
184.69466	0.2
193.01343	2.0
195.13885	0.4
206.99652	5.5
207.99658	0.8
208.03647	2.6
208.05295	0.4
208.97536	0.2
209.03992	0.4
217.40326	0.2
223.02774	100.0
223.13312	1.7
224.02812	13.3
241.03850	2.5
242.03767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21994	0.3
51.83972	0.2
58.33564	0.3
59.01236	0.3
70.83952	0.6
93.03348	1.5
95.04920	0.3
108.47744	0.3
129.15172	0.2
144.00790	0.8
156.05667	0.8
169.06450	0.8
171.08069	0.9
173.02385	0.3
174.03134	20.8
175.03482	1.1
182.03577	0.3
187.03963	0.6
197.05983	0.8
199.03897	0.3
200.04713	100.0
201.05046	9.1
214.06328	3.9
215.01010	4.4
215.07072	56.1
215.16461	0.6
216.07416	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	217.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
59.01240	6.2
69.03332	2.0
69.73833	5.0
69.74244	3.7
71.01245	3.2
71.04880	3.2
72.99185	16.8
81.03329	15.8
83.01256	1.8
83.04897	97.4
84.05236	5.1
85.06467	17.0
87.00729	2.4
89.02293	1.8
91.58838	1.6
93.03334	8.2
97.02805	3.6
101.02377	1.4
101.05956	16.5
108.86294	1.7
109.02821	1.9
111.00729	2.0
111.04401	100.0
112.04760	5.3
113.02351	2.9
115.03878	11.5
127.03900	53.1
129.05469	82.2
130.05830	4.0
137.02318	6.8
145.05020	1.8
155.03412	52.7
156.03720	2.5
170.03279	1.6
171.02919	3.2
173.04474	57.9
174.04794	4.2
174.07419	1.5
187.09726	1.5
189.04015	1.8
199.02431	21.7
217.01619	1.9
217.03487	41.8
218.03804	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01228	0.7
61.95557	0.3
61.98684	1.2
63.52652	0.3
65.00179	0.4
69.03316	0.9
70.99874	0.8
72.77843	0.4
83.04899	0.8
86.74956	0.3
95.01255	1.1
95.04874	0.5
97.02757	0.4
109.02813	0.5
110.78715	0.3
111.00773	0.4
121.02876	0.5
123.00751	0.6
123.04381	0.4
125.02337	0.6
137.09619	0.5
153.05594	0.4
153.09099	0.3
155.10754	0.3
165.12755	0.8
167.10747	1.6
167.14325	1.4
181.01355	0.4
181.04942	0.5
183.13837	13.8
184.14136	1.0
186.23050	0.4
189.10428	0.4
192.97752	0.6
193.12263	3.8
195.20287	0.3
196.03694	1.0
211.03981	1.0
211.06059	1.6
211.13336	100.0
212.13672	9.7
212.77110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25971	0.2
61.75815	0.2
63.53423	0.2
63.59375	0.3
69.61455	0.9
69.61881	0.7
76.99567	0.2
93.03338	1.7
95.04939	0.3
125.23685	0.3
146.54602	0.3
156.05672	0.8
156.75500	0.2
158.37746	0.2
161.16005	0.2
165.26285	0.2
169.06487	1.1
171.08061	0.8
174.03137	21.4
175.03503	1.4
182.03712	0.3
187.03987	0.8
187.07603	0.4
195.04454	0.4
197.05936	1.1
199.03893	0.3
200.04718	100.0
201.05060	8.6
214.06303	3.9
215.01161	2.2
215.07077	61.9
215.16321	0.6
216.01215	0.3
216.07422	5.9
224.54729	0.3
226.76253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.01743	0.3
59.01251	1.7
61.49053	0.3
61.98685	0.5
64.29841	0.4
65.00189	0.4
65.01294	0.6
67.40477	0.2
69.03336	0.5
70.25758	0.9
70.26180	0.6
72.35093	0.3
74.14066	0.3
80.02537	2.3
81.03332	2.2
83.01259	0.4
83.04894	11.0
84.05235	0.4
85.02813	0.4
92.99690	1.3
93.03323	0.6
94.02868	0.3
95.04906	2.0
97.06438	0.9
108.02052	0.6
109.02818	0.9
109.06454	0.9
121.02842	21.6
122.03224	1.1
123.00777	0.4
123.04420	0.5
124.03919	1.2
125.02364	0.3
125.05968	0.8
130.04005	0.4
131.24960	0.3
133.02858	0.5
135.04387	1.3
135.08041	0.9
136.01549	0.4
136.98698	1.0
137.02325	1.1
137.05989	1.8
138.03198	0.3
139.00256	0.3
140.04541	0.3
147.11668	0.6
149.02354	0.5
151.03893	1.0
156.05595	0.9
161.02344	1.1
163.11197	7.3
164.11497	0.8
164.98184	1.6
165.01843	0.5
165.05522	1.5
165.09174	0.5
165.12735	4.8
166.02570	0.5
167.03438	0.4
170.05901	0.4
177.01804	0.5
178.99756	0.7
179.03407	2.1
180.03839	0.4
181.04968	0.6
181.12228	1.3
181.80519	0.3
183.06693	1.4
187.79411	0.3
191.10674	1.9
194.02190	1.7
194.03992	0.4
194.05745	1.7
195.02814	0.3
195.06113	0.4
196.37683	0.3
200.93073	0.3
208.97174	0.3
209.04486	5.3
209.11763	100.0
210.07851	1.1
210.12119	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	207.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09949	2.3
57.03309	2.9
58.00455	7.0
59.01250	53.6
65.99710	3.8
67.01761	2.8
69.03312	3.2
71.01254	27.9
71.08732	4.7
71.09061	2.4
72.99184	21.3
73.02812	17.1
75.00742	6.1
78.95760	3.5
81.03327	5.3
83.01263	10.2
85.02826	21.4
87.00727	17.7
89.02316	9.8
95.01249	6.7
99.00770	15.4
101.02327	19.6
103.00253	5.9
108.02036	3.9
109.02840	28.6
113.02330	6.1
115.00204	4.0
117.01829	86.9
118.02159	4.0
119.49361	2.3
121.02814	2.2
123.00758	2.9
123.04380	4.2
123.49319	2.6
124.01544	2.7
125.02370	6.5
127.00246	11.5
127.03884	8.7
129.01831	14.2
131.03345	3.6
135.00861	2.4
135.04376	4.5
135.49193	2.3
136.93895	7.8
137.02319	12.8
147.02943	2.8
149.02367	3.3
164.03415	2.7
171.02917	11.5
177.01839	25.1
181.01309	4.8
189.03944	9.5
192.00563	3.6
192.04211	24.3
193.04567	2.9
207.03046	6.0
207.05008	100.0
207.06549	6.1
208.02419	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	207.0658
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.00446	0.4
59.01190	1.9
64.83138	0.3
67.42416	0.3
75.00713	0.8
77.03790	0.4
77.09727	0.4
82.03891	0.4
91.01746	0.8
92.99712	0.5
93.03279	1.1
94.02766	0.5
95.04855	0.8
97.73417	0.3
98.19773	0.8
101.05953	5.3
105.03347	4.3
107.04864	0.5
109.02793	0.5
109.06424	1.5
119.01275	0.6
121.02788	1.3
123.04370	1.0
129.01738	0.4
133.02844	29.3
134.03197	1.9
135.00780	0.5
135.04344	1.1
135.07950	0.5
137.02312	0.4
137.09637	0.6
147.00797	0.5
148.01431	0.5
148.05106	0.6
149.02351	4.4
149.05896	0.4
149.09581	0.6
151.03888	0.9
154.15990	0.3
161.02287	0.5
163.00229	1.1
163.03885	1.0
163.07503	0.5
163.11151	1.4
164.04709	2.4
175.03960	0.5
177.01846	21.7
178.02180	1.4
179.03279	0.7
179.07091	0.4
192.04205	100.0
193.01411	0.5
193.04547	7.3
207.01237	0.6
207.02962	2.0
207.06581	19.5
207.10052	2.7
207.13911	1.8
208.06807	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	206.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	33.9
59.03196	0.7
69.62676	1.8
69.63100	1.6
70.02850	13.5
72.00772	4.8
74.68777	0.5
79.37672	0.5
91.05406	9.1
92.05749	0.5
135.04405	2.0
147.04413	38.3
148.04799	2.6
162.09172	1.6
164.07076	100.0
165.07437	5.7
177.01843	1.7
192.04160	2.5
201.27829	0.6
206.08154	37.7
207.02989	0.7
207.06619	1.0
207.08493	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02848	64.6
59.01255	1.7
59.03176	1.0
59.09562	0.7
62.59825	0.7
70.02512	1.3
70.02850	12.3
70.99189	1.1
72.00775	8.3
77.31826	0.6
87.00121	0.7
91.05406	8.5
92.05746	0.9
97.32691	0.7
107.04848	0.8
135.04407	2.7
147.04416	40.3
148.04750	2.6
161.02275	1.0
162.09140	1.3
163.03851	1.6
164.07076	100.0
165.07401	6.0
175.98807	0.7
177.01865	4.4
179.03349	1.2
192.00638	1.3
192.04201	4.8
193.84642	0.8
206.01891	1.0
206.08159	40.6
207.02937	2.9
207.06599	1.5
207.08513	2.7
225.60815	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	207.0505
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01758	3.9
57.03314	3.6
58.00455	4.2
58.14579	1.5
59.01248	34.5
65.99711	3.3
69.03305	1.9
70.43443	3.9
70.43832	3.1
71.00902	2.3
71.01255	26.7
72.99176	28.2
72.99586	2.1
73.02816	23.1
75.00750	7.2
78.95815	1.4
80.96353	2.3
81.03330	2.9
83.01267	13.0
85.02818	16.8
87.00757	18.4
87.90581	1.3
89.02309	9.7
93.03333	1.9
95.01247	3.7
97.02820	2.6
98.19872	1.4
99.00766	16.6
99.71136	1.4
101.02325	20.9
103.00253	7.8
108.02028	1.7
109.02823	18.3
110.02385	1.6
113.02328	10.4
115.00242	3.9
117.01823	84.7
118.02138	1.8
123.00785	1.8
123.04411	1.6
124.01547	1.9
125.02322	5.5
125.07283	1.4
127.00253	17.2
127.02862	1.9
127.03893	7.3
129.01820	10.5
131.03358	3.3
133.01317	3.0
137.02336	8.5
141.01791	1.6
143.03380	3.9
147.02870	3.6
149.02309	1.8
153.01878	1.5
164.03445	3.1
164.92673	2.5
171.02858	10.7
177.01845	15.9
181.01320	3.9
182.80873	1.3
189.00317	6.2
189.04102	7.1
192.04199	14.4
193.04356	2.2
201.31180	1.3
207.01352	5.9
207.05031	100.0
207.06558	5.0
208.02432	4.0
208.05322	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	206.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19715	3.3
56.64963	3.2
57.03323	4.9
58.00471	4.9
58.02836	5.1
59.01250	43.7
60.99188	3.6
68.99684	13.2
70.70377	7.6
70.70722	6.4
71.01249	22.9
72.00907	3.6
72.01582	11.6
72.99181	29.7
73.99493	3.6
75.00747	15.6
81.77831	3.6
84.99177	6.6
87.00748	45.4
88.01099	10.6
99.00759	15.6
100.01093	6.5
100.98676	7.4
103.00248	12.3
112.98682	20.6
115.00263	11.9
116.00604	10.0
129.01816	18.9
130.99756	100.0
137.31831	3.4
142.99785	4.6
144.00529	20.5
145.01332	52.4
149.02309	5.3
156.00162	5.1
157.01332	19.1
164.07028	6.9
177.01898	22.1
192.04280	36.0
206.04257	35.9
207.06584	13.8
222.49866	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
54.98188	0.1
58.02819	0.1
59.01233	0.3
64.76499	0.1
67.68446	0.1
68.47213	0.1
69.14815	0.1
70.28234	0.2
70.28616	0.3
71.01235	0.2
72.99176	0.2
75.35524	0.1
95.74903	0.1
99.00749	0.2
115.00246	0.2
117.03387	0.1
119.01330	0.1
133.02827	0.2
133.06511	0.1
135.04428	0.1
161.02315	0.2
161.06000	0.4
162.89198	0.1
164.07114	0.2
177.01886	0.1
177.05482	0.2
189.12798	1.9
190.02609	0.2
190.06201	0.2
205.01303	0.3
205.05103	0.8
205.15913	100.0
206.16254	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	206.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41553	1.5
57.03317	5.4
57.50770	1.7
58.00461	6.1
58.02830	3.6
59.01249	54.1
60.99169	4.3
68.99689	14.2
69.36474	6.6
69.36910	7.0
69.59005	1.9
71.01250	29.4
71.04887	3.4
72.05207	2.3
72.99175	42.2
73.02827	14.1
73.99563	1.8
74.52914	1.6
74.98981	2.0
75.00753	15.1
79.95600	4.2
80.96395	6.7
81.03361	2.1
82.03674	2.0
83.01256	9.6
84.99189	4.8
85.02808	13.0
87.00744	57.4
88.01089	4.1
89.02309	6.3
90.98447	10.1
98.06076	1.9
99.00747	23.2
99.04388	6.0
100.01082	2.7
100.04738	11.8
100.98722	8.2
101.02315	15.0
101.52905	1.7
101.99480	2.9
102.02658	8.5
103.00220	10.2
111.00789	3.3
112.01070	3.3
112.98691	18.0
113.02330	11.3
115.00259	19.1
115.03901	4.3
116.00572	2.6
116.04234	5.8
117.01820	53.3
118.03155	3.7
119.38342	1.8
121.02808	1.8
125.02346	10.5
126.02673	37.4
127.00248	2.4
127.02833	3.4
129.01823	20.1
130.02118	2.6
130.99750	100.0
131.03355	4.2
142.99738	6.9
143.03337	2.0
144.00565	25.7
144.03722	5.1
145.01335	68.7
146.01651	18.2
147.02872	2.6
149.02327	4.3
156.00191	2.0
157.01334	28.4
163.00307	1.6
163.03938	2.6
177.01822	8.0
188.02693	10.9
192.00647	1.9
192.04219	9.2
206.01305	2.0
206.01788	2.2
206.04137	44.1
206.09270	3.7
206.99513	2.6
207.03270	4.0
207.04964	8.0
207.06662	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	205.0347
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
50.91480	0.7
51.22628	0.6
55.01758	2.8
57.03319	4.7
58.00474	1.2
58.02852	1.7
59.01252	24.0
61.80240	0.7
67.01753	1.8
68.99677	4.0
69.03333	1.3
69.53944	2.3
69.54375	2.9
71.01253	16.7
71.04890	10.6
72.29429	0.6
72.99175	18.5
73.02824	6.9
75.00742	10.1
75.69724	0.6
80.96384	0.8
81.03318	7.1
83.01258	3.0
84.99214	0.7
85.02819	7.4
87.00751	23.4
87.04391	1.2
89.02335	0.9
96.99199	1.9
97.02814	2.2
98.18560	0.6
99.00764	11.5
99.04396	35.4
100.04728	1.5
100.98740	0.8
101.02321	40.1
102.02706	0.9
103.00230	1.7
111.00762	18.8
112.98676	4.0
113.02317	0.8
115.00265	12.7
115.03891	19.2
117.01817	2.7
117.03298	3.6
117.05482	1.2
119.71127	0.8
124.98712	2.3
125.02335	100.0
126.02670	4.3
127.00246	1.3
129.01839	3.2
130.99763	8.1
142.99773	3.2
143.03394	17.5
143.07008	1.8
144.00505	1.2
145.01328	50.3
145.04951	2.1
146.01700	1.1
154.99738	4.3
157.01334	3.0
159.08492	0.9
161.02374	2.5
161.04451	1.4
173.00835	1.2
175.02435	0.8
187.02414	24.3
187.04111	1.3
187.06004	0.9
188.02840	0.8
205.03476	39.1
205.07195	1.6
205.08871	3.4
206.04060	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	201.1126
Annotation	2-Ethyloctanedioic acid
Peak:m/z	Relative Intensity
51.42014	0.4
57.03316	2.4
59.01233	0.9
60.99170	0.6
69.40595	3.7
71.04889	3.5
72.02048	0.7
87.04385	100.0
88.04723	2.9
98.19818	1.0
102.76145	0.5
121.10174	0.4
126.81781	0.4
135.98680	0.4
139.11172	8.6
140.11511	0.5
157.12230	0.8
183.10101	1.4
201.05507	0.6
201.09428	0.4
201.11255	11.1
202.11591	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	201.1126
Annotation	2-Ethyloctanedioic acid
Peak:m/z	Relative Intensity
57.03310	3.0
59.01243	2.5
65.33938	0.7
69.03325	0.7
71.04897	3.1
71.29901	1.4
72.02033	1.1
73.79638	0.5
79.04836	0.5
85.02827	1.1
87.04388	100.0
88.04718	2.6
111.08061	0.7
117.03352	0.6
139.07533	0.8
139.11185	9.2
145.02852	1.2
155.10670	0.7
157.06468	0.6
157.12241	1.8
173.02357	1.5
173.05937	1.1
174.03038	0.8
183.10161	2.6
183.84970	0.5
187.68437	0.6
201.01846	1.2
201.05534	1.6
201.07594	0.9
201.09349	1.0
201.11250	20.1
202.11554	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	200.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.0
59.01238	9.8
70.02856	8.3
71.01248	13.0
71.49731	3.7
72.04393	2.7
72.99174	8.1
75.00773	3.1
80.14452	2.8
81.03319	2.2
82.02883	2.8
83.04899	4.9
84.04424	6.4
85.02822	16.5
87.00750	2.4
87.04378	2.3
88.13551	2.3
92.04977	2.8
95.04908	19.8
97.01581	3.0
98.02364	21.9
108.04439	7.0
110.02359	34.7
110.05978	4.4
111.04411	8.1
112.03935	15.6
112.04581	2.7
112.07590	6.3
113.05965	29.3
123.03117	3.4
124.03935	4.1
126.05500	10.3
129.05449	5.6
136.03931	10.2
138.05516	16.7
139.03912	5.2
154.04971	28.0
155.03406	5.4
156.06572	44.1
157.04933	4.3
158.42421	2.8
173.04491	8.1
182.04518	38.6
200.05586	100.0
201.02234	4.8
201.03995	32.3
201.05707	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	201.1126
Annotation	2-Ethyloctanedioic acid
Peak:m/z	Relative Intensity
57.03308	3.3
59.01246	1.9
69.36594	5.9
71.04882	3.6
79.95596	0.9
85.28405	0.7
87.04385	100.0
88.04720	2.4
121.02829	0.8
121.85943	0.7
139.11176	10.1
144.04472	1.1
145.06511	0.7
157.12204	1.7
158.03726	0.7
159.04462	0.9
171.80444	0.7
173.02415	1.0
173.05951	1.5
183.04446	1.9
183.10182	2.2
201.01814	1.2
201.05453	3.5
201.11258	20.7
202.11597	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	197.0197
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00222	1.4
57.03302	0.5
59.01234	1.7
64.01771	0.5
65.00187	0.6
65.01300	1.4
65.03823	0.8
65.99708	3.4
67.01753	1.2
68.01285	1.4
68.99697	0.8
69.03336	0.8
72.99184	0.4
76.01790	1.6
77.00208	0.8
78.03363	3.1
81.03320	0.7
83.04878	0.6
89.01353	1.0
91.02843	0.5
92.01291	0.7
92.99696	0.7
93.03345	1.1
94.02858	1.3
95.01253	4.7
97.02766	0.6
97.06493	0.5
104.01294	2.5
105.04434	0.6
106.02881	1.4
108.02049	1.4
109.02838	4.8
109.06457	0.7
111.55972	0.5
112.01556	0.5
119.02374	0.5
120.00780	2.9
121.02860	2.9
122.02374	1.6
123.00762	11.4
123.04393	0.7
124.04007	0.6
125.02319	2.3
125.05959	0.5
126.07495	0.5
126.90413	1.0
130.99155	0.9
132.00787	0.9
133.01619	2.9
135.07970	0.5
136.00261	0.8
137.02350	3.2
137.99496	0.6
138.01883	1.9
138.03110	6.8
139.00314	0.5
150.01878	7.1
152.11957	0.5
153.01843	1.3
153.05486	7.1
153.09171	0.8
153.12723	1.1
156.05525	0.8
163.01424	0.8
166.99762	9.1
167.02135	2.0
167.99161	0.5
168.01601	0.6
169.12186	0.6
170.66188	0.4
171.06679	1.3
179.01024	2.2
179.03372	0.6
180.01659	5.8
182.02129	18.1
182.05696	0.7
183.02428	0.6
197.01973	100.0
197.04416	6.3
197.08131	2.0
197.11717	5.9
198.02361	5.0
198.07732	0.7
198.12056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.03927	2.7
57.03319	24.3
58.17327	2.9
59.01262	8.2
63.24706	2.8
63.61168	3.0
66.48853	2.8
66.68284	2.6
69.71884	14.2
74.56735	3.1
74.65075	2.8
79.05409	5.1
85.02824	100.0
86.03600	43.4
92.40444	2.6
92.48774	3.1
95.04901	5.3
97.06470	5.7
98.19919	3.9
111.08044	8.1
118.02600	10.5
119.08555	60.0
120.08909	3.1
137.09634	32.3
155.10690	64.2
156.11119	4.2
181.08618	4.4
186.65915	2.7
199.06029	5.5
199.09677	16.6
199.13356	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	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.27114	0.2
59.01248	0.6
61.98363	0.2
61.98709	0.4
65.00198	0.2
68.99691	0.2
71.01255	0.2
71.51535	0.2
76.71132	0.2
79.61259	0.2
83.01274	0.2
87.60476	0.2
93.79050	0.2
95.01234	0.3
97.02846	0.3
99.08065	0.3
107.04895	0.4
108.02052	0.4
109.02859	0.2
109.06476	4.2
111.08038	3.6
112.08295	0.3
118.96035	0.2
121.02851	0.9
122.03612	0.6
123.00788	0.4
123.04406	0.8
124.01479	0.2
125.02322	0.4
125.09620	0.9
135.04463	0.4
135.11700	0.4
136.01581	0.2
136.05188	0.8
137.02319	0.8
138.03117	0.2
138.06752	0.7
139.07532	0.4
150.03131	1.9
151.00244	0.3
151.03867	0.5
151.07535	0.5
151.11169	0.9
152.01048	0.3
155.07050	0.2
160.84116	1.2
165.01859	2.2
165.05499	1.0
167.07022	0.3
167.14334	7.9
168.14696	0.4
179.10686	4.9
180.04239	2.8
180.11304	0.4
181.04660	0.3
194.91724	0.2
194.99298	0.5
195.02919	0.7
195.06660	2.4
195.13835	100.0
195.81050	0.5
196.14180	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16984	0.5
57.03308	0.6
58.82762	0.5
59.01254	2.4
61.45264	0.5
65.09843	0.5
69.03323	0.6
71.01266	1.7
71.50958	0.8
73.02837	1.1
79.43617	0.5
83.01238	1.1
85.02824	1.7
87.00737	0.9
89.03881	0.5
90.18945	0.5
90.33396	0.5
91.75922	0.5
93.03331	1.7
97.02846	1.2
99.00758	0.7
101.02334	2.3
106.04099	1.5
108.02065	1.5
109.02840	1.3
111.00755	1.4
113.02343	0.8
117.03339	0.6
118.97147	0.4
121.02817	4.2
123.00713	0.8
123.04423	1.2
125.02313	1.2
131.04990	0.6
133.02837	7.2
134.03625	100.0
135.03960	5.2
137.02335	21.4
138.02586	1.0
139.03897	6.1
147.04434	0.7
149.02341	1.5
149.05980	20.0
149.09563	0.7
150.03094	3.3
150.06352	1.8
156.15903	0.5
161.04449	1.8
165.01891	0.7
174.03166	1.7
175.03917	10.1
178.02626	63.3
179.02937	3.5
191.03455	0.8
193.01328	1.6
193.04973	27.7
193.06953	1.7
193.08623	1.2
194.00925	0.7
194.05353	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	195.0654
Annotation	1135-23-5
Peak:m/z	Relative Intensity
51.41025	0.6
58.90877	0.6
59.01248	13.0
68.99693	0.7
69.29210	2.3
69.29630	3.9
71.01264	0.9
75.00768	1.5
90.14052	0.7
93.03323	1.2
95.01283	2.0
99.00749	0.7
101.02303	0.8
108.02062	2.1
109.02842	1.2
111.00790	1.2
119.04903	9.4
120.05286	0.7
121.02837	32.8
122.03115	1.3
122.03667	0.8
123.00792	1.7
123.04406	5.4
124.01535	3.6
125.02306	1.9
134.03619	2.1
135.03609	0.4
135.04410	26.8
136.05196	100.0
137.02328	3.4
137.05513	5.3
139.00241	3.2
142.04007	0.8
149.09560	0.8
150.03111	8.4
151.00246	0.7
151.03908	7.6
151.07541	4.8
153.03003	0.9
162.03120	1.2
165.01836	6.0
165.05458	3.7
166.99794	4.2
169.05115	2.1
177.05490	1.5
180.04237	8.2
189.97169	0.6
190.59258	0.6
194.99358	3.8
195.06555	72.2
195.10178	1.8
195.13751	1.0
196.06935	5.3
196.62582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23525	0.3
59.01243	0.4
64.41252	0.3
69.32384	0.3
69.32649	2.9
71.01271	0.5
72.99220	0.4
73.02821	0.6
75.95423	0.3
83.01283	0.7
85.02855	0.9
93.03375	0.4
99.00776	0.4
101.02325	0.7
101.03880	0.5
105.03389	0.4
108.02058	4.6
109.02852	3.5
117.03329	1.5
119.04946	0.8
121.02843	1.6
123.04417	0.6
129.03374	0.7
130.04147	1.3
131.04924	8.8
132.05235	0.5
133.02875	1.1
134.03632	6.1
137.02357	1.1
145.02893	0.9
147.04430	5.0
148.05179	0.6
149.02271	0.3
149.05962	2.3
150.03154	1.5
150.06454	0.3
157.02853	1.4
158.03630	0.6
161.02400	0.6
161.04465	0.5
163.03926	0.3
165.01875	0.3
165.05527	0.8
173.02350	2.0
174.03140	22.2
175.03917	100.0
176.04253	6.9
178.02623	2.9
191.03432	6.4
193.04984	61.2
194.05360	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	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.19940	0.2
52.93871	0.2
54.41038	0.2
57.03316	1.3
59.01252	1.1
63.25200	0.2
65.99712	0.2
67.01762	0.7
68.99706	0.3
69.03326	0.2
71.01241	0.8
71.31372	0.4
72.81939	0.2
72.99177	0.5
73.02812	0.6
73.04016	0.2
77.03825	0.3
81.03333	0.4
83.04876	0.4
85.02820	11.2
86.03175	0.3
87.00751	8.6
93.03327	2.4
99.04375	0.4
101.02291	0.3
104.02540	0.3
109.02865	0.4
111.00761	15.8
111.04401	0.7
112.01083	0.6
119.04926	1.6
121.02841	100.0
122.03171	5.2
127.03896	0.9
129.01831	1.0
135.04398	0.3
147.04410	6.9
147.08032	0.3
148.01544	0.4
148.04863	0.6
149.04568	0.3
154.99731	0.2
163.00298	0.4
163.02658	0.2
163.03946	0.9
164.04648	0.3
171.02948	0.4
173.00847	0.5
173.04498	0.6
176.01074	2.4
177.01772	0.2
177.14499	0.3
191.01892	1.3
191.03477	7.6
191.05542	25.7
191.10735	0.8
192.03839	0.5
192.05911	1.1
208.97493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0345
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
55.01742	3.1
57.03325	6.8
58.00459	2.8
59.01250	62.7
65.00192	2.2
65.41636	1.2
67.01733	1.5
69.03313	3.3
71.01252	61.8
71.50352	2.3
72.99179	100.0
73.02811	26.9
73.99501	1.5
75.00739	2.9
83.01286	6.6
84.02013	1.3
85.02824	53.8
87.00742	5.2
89.02316	20.6
93.03332	4.3
95.01250	12.2
97.02820	2.6
99.00748	8.2
101.02318	30.9
102.02596	1.3
103.00249	21.7
106.04097	1.4
108.02029	4.3
109.02800	5.0
113.02333	73.5
114.02666	2.9
115.00259	1.6
117.03349	1.7
119.04874	1.3
121.02826	4.7
123.00754	2.4
123.04411	1.3
125.02314	2.0
129.01830	5.7
131.03400	7.1
131.04884	3.1
133.01295	4.7
133.02852	2.0
134.03618	19.3
137.02310	5.8
145.91772	1.2
147.04419	3.4
149.02359	2.8
149.05986	24.6
149.09598	1.6
150.03090	4.4
157.01289	3.6
157.02907	1.1
161.04451	8.5
163.02417	1.3
163.04041	1.6
165.01785	2.1
166.06079	1.3
174.03198	7.5
175.03914	47.9
176.04214	1.7
177.98941	1.3
178.01190	2.0
178.02635	25.5
179.03072	1.9
191.03438	4.5
192.88602	1.2
193.01308	7.7
193.03398	11.8
193.04982	40.7
193.07005	3.4
193.08630	2.8
194.00812	3.0
194.05280	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	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73265	0.2
55.01768	0.2
57.03318	3.2
58.00467	0.3
58.03656	0.2
59.01245	4.5
60.99155	0.3
67.01752	2.2
69.03305	0.9
71.01245	2.8
71.04877	0.2
72.99179	0.5
73.02803	1.6
78.78168	0.2
79.44279	0.2
81.03323	1.2
83.01237	0.4
83.04884	1.4
85.02818	40.2
86.03146	1.1
87.00743	20.6
88.01083	0.5
90.04729	0.2
93.03331	9.5
94.03644	0.3
95.01241	0.3
96.02071	0.2
97.02887	0.3
98.20541	0.5
99.00748	0.4
99.04383	1.4
101.02311	0.3
108.02058	0.3
109.02837	2.4
110.43295	0.2
111.00758	27.4
111.04388	2.7
112.01102	1.2
113.02316	0.5
125.02307	0.4
127.02957	0.3
127.03896	6.1
128.04187	0.3
129.01840	1.5
137.02318	0.5
143.03362	0.2
147.02794	0.2
153.01860	0.2
153.29013	0.1
155.03371	0.2
162.51077	0.2
171.02898	1.5
173.00836	0.3
173.04463	2.5
176.01091	0.3
182.63176	0.2
191.01875	3.0
191.05524	100.0
192.05862	4.6
203.70531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12341	1.4
52.23861	1.7
57.03053	2.5
57.03323	28.0
59.01255	8.6
65.01315	2.8
69.03309	2.1
70.39377	5.8
71.01254	14.3
71.04891	10.6
72.02020	2.3
72.75583	1.5
73.02816	52.7
81.03316	1.7
81.06969	3.3
83.04894	91.4
84.05219	2.3
85.02825	54.2
87.00660	1.9
87.04386	58.0
88.04722	2.1
91.01774	5.3
95.04894	12.3
97.06470	34.6
99.04388	6.2
101.02290	1.7
101.05956	44.8
106.04024	2.2
109.02837	2.5
109.06484	11.4
113.05973	13.5
115.07542	5.0
117.03345	11.1
119.01271	5.2
119.04993	1.7
120.04413	3.8
125.05977	4.2
125.40906	1.5
127.07536	9.8
131.07037	8.4
133.02789	2.8
135.07986	2.3
144.04422	1.8
145.02882	2.5
145.06520	4.1
145.08626	19.5
146.02420	2.5
146.03549	2.5
146.05881	1.8
147.00786	2.6
147.06580	2.2
148.05058	2.7
153.09132	25.3
161.02347	59.5
161.05978	5.7
162.02838	5.5
162.06538	2.3
164.03473	2.5
165.01907	2.2
171.02867	2.1
171.10179	6.1
174.03200	1.9
175.00305	8.2
187.09641	3.3
189.01859	84.4
189.05405	10.1
189.11246	100.0
190.02397	8.8
190.11578	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	189.0186
Annotation	Ayapin
Peak:m/z	Relative Intensity
50.39123	0.6
53.75711	0.6
58.04230	0.5
65.01327	0.7
65.99715	0.5
78.39193	0.5
85.14989	0.6
89.03835	1.8
91.01768	1.9
93.03339	2.0
95.04866	0.7
99.00742	0.8
105.03268	0.6
117.03340	39.5
118.03722	1.8
120.04422	1.1
121.02893	0.6
121.03919	0.8
123.04445	0.9
130.92133	0.7
132.02000	0.6
133.02850	5.5
134.03407	0.9
141.13591	0.6
143.10632	0.6
145.02849	62.5
146.03162	3.4
146.21365	0.7
148.05072	0.8
148.94284	0.5
150.84195	0.5
160.01563	1.9
161.02347	96.7
162.02722	5.7
162.06590	0.5
171.02948	0.6
173.02322	1.6
174.03200	3.3
187.00253	2.3
189.01860	100.0
189.05484	2.2
189.11285	0.7
190.02501	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	189.0184
Annotation	2-Hydroxyjuglone
Peak:m/z	Relative Intensity
59.01231	0.4
61.98697	0.3
65.39666	0.3
66.32564	0.3
68.99673	0.4
69.33803	2.0
71.01246	0.5
79.26138	0.3
84.51192	0.2
88.43356	0.3
91.01756	1.8
93.03345	0.3
103.01778	2.3
115.01768	1.2
117.03336	4.7
118.03688	0.5
119.01241	0.3
119.04868	0.4
120.04443	1.1
122.02284	0.2
127.00204	0.2
131.01265	1.0
133.02869	0.6
143.01251	0.7
143.86385	0.4
145.02849	0.6
145.06599	0.4
146.02361	0.3
147.06613	0.3
148.04971	0.3
151.87891	0.3
159.00816	2.3
161.02342	16.0
161.05994	0.6
162.02682	0.8
164.03513	0.4
176.61420	0.3
187.00287	59.7
188.00626	4.1
189.01848	100.0
190.02211	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	189.0185
Annotation	2-Hydroxyjuglone
Peak:m/z	Relative Intensity
57.11021	0.2
64.94666	0.2
68.99679	0.3
71.27905	0.3
91.01740	1.5
93.03336	0.4
95.83792	0.2
103.01763	2.2
115.01793	1.1
117.03341	3.3
118.03652	0.3
131.01245	1.2
132.49704	0.2
143.01230	0.5
145.02791	0.3
155.28584	0.2
159.00780	1.8
161.02339	6.0
162.02626	0.4
187.00281	59.0
187.98972	0.2
188.00639	4.2
189.01848	100.0
190.02194	7.8
192.24753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0185
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
61.50843	0.1
65.01327	0.2
69.33248	0.1
69.38572	1.0
78.14396	0.1
91.01782	0.4
93.03337	0.5
106.03981	0.1
117.03346	8.5
118.03732	0.4
119.01254	0.2
121.03999	0.2
145.02856	0.4
147.00792	0.3
148.04959	0.3
151.45905	0.1
161.02347	57.8
162.02681	4.2
189.01852	100.0
190.02197	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	189.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.4
61.98697	0.3
65.39666	0.3
66.32564	0.3
68.99673	0.4
69.33803	2.0
71.01246	0.5
79.26138	0.3
84.51192	0.2
88.43356	0.3
91.01756	1.8
93.03345	0.3
103.01778	2.3
115.01768	1.2
117.03336	4.7
118.03688	0.5
119.01241	0.3
119.04868	0.4
120.04443	1.1
122.02284	0.2
127.00204	0.2
131.01265	1.0
133.02869	0.6
143.01251	0.7
143.86385	0.4
145.02849	0.6
145.06599	0.4
146.02361	0.3
147.06613	0.3
148.04971	0.3
151.87891	0.3
159.00816	2.3
161.02342	16.0
161.05994	0.6
162.02682	0.8
164.03513	0.4
176.61420	0.3
187.00287	59.7
188.00626	4.1
189.01848	100.0
190.02211	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	175.0392
Annotation	6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone
Peak:m/z	Relative Intensity
50.41370	0.2
59.01222	0.3
65.02717	0.1
69.28818	1.5
69.64359	0.2
69.99627	0.1
71.01250	0.2
80.82253	0.1
87.00739	0.4
89.03806	0.2
101.31197	0.1
106.04006	0.2
115.00235	0.5
117.03342	0.2
119.04912	0.4
129.03360	0.6
130.04150	1.0
131.04915	10.7
132.05263	1.0
133.02838	0.4
145.02795	0.3
147.04402	2.6
148.04945	0.2
157.02858	1.5
158.03630	1.0
159.04066	0.2
173.02365	0.5
174.03131	22.7
175.03908	100.0
176.04254	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	183.0292
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
59.01231	0.5
61.57660	0.2
64.68915	0.3
65.00182	0.8
67.01743	0.9
67.77522	0.2
68.99675	0.8
69.03324	0.3
70.98544	0.6
70.98866	0.4
71.01249	1.1
72.99182	0.7
82.00467	0.3
83.01249	1.4
83.04885	0.3
85.02798	0.3
87.00736	0.7
93.03323	0.3
94.98090	0.3
95.01264	0.6
96.99176	0.4
99.00762	0.4
109.99960	0.6
111.00760	7.8
123.00767	1.0
124.01555	3.7
124.98621	0.3
125.01840	0.3
127.00252	2.1
136.98705	4.9
139.00267	7.0
139.03926	0.3
140.01051	12.0
141.01404	0.5
151.00273	0.9
154.99751	0.9
156.04033	0.3
157.05153	0.3
168.00549	17.5
169.00919	1.0
170.03891	0.3
177.73950	0.2
183.02901	100.0
183.10167	1.2
184.03227	5.2
187.73785	0.3
195.63553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	13.4
59.01247	14.0
65.01318	10.6
67.01751	7.6
69.03329	16.6
70.39665	20.5
72.22105	5.7
83.04907	9.5
85.06445	7.4
89.01326	9.1
97.02808	8.8
98.02322	5.4
106.10268	6.3
107.01251	9.3
109.06536	6.6
111.00739	7.8
111.04408	6.6
112.03962	6.7
115.02918	10.6
121.10152	10.2
124.01535	13.9
124.98679	6.7
139.03893	5.8
139.11195	21.4
140.01004	8.6
142.04030	10.2
143.04813	11.4
152.67685	5.5
152.98207	7.3
156.05559	23.9
157.05086	34.8
165.01923	7.7
168.00552	21.4
183.00369	9.3
183.02994	42.1
183.06636	31.7
183.10162	100.0
184.06171	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	183.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.2
59.98395	7.6
65.00175	1.8
65.01308	2.9
69.03340	3.5
69.30505	5.1
69.30920	8.5
71.04890	12.5
73.34267	1.4
81.03319	2.3
83.04890	13.5
85.02836	3.4
85.06490	1.8
89.01330	2.3
90.00825	1.6
95.04918	1.9
98.03590	1.7
99.04400	19.2
111.00790	1.5
119.08531	2.0
121.06468	1.3
121.10146	3.4
137.09648	9.6
139.00273	1.7
139.11172	11.6
143.04735	1.8
144.04248	1.8
145.80792	1.4
152.98235	1.7
156.05569	4.0
157.05038	7.0
164.98282	1.8
165.01822	1.7
165.09113	5.7
168.00529	4.5
180.59032	1.4
183.02943	4.2
183.04462	1.7
183.06662	6.3
183.10187	100.0
184.06183	2.9
184.10550	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	187.0241
Annotation	(Z)-But-2-ene-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
54.03024	3.0
55.01761	18.8
57.03313	7.0
59.01242	11.9
62.02020	3.7
65.00198	7.6
67.01758	6.4
68.99694	30.7
69.01635	3.5
69.83086	13.7
71.01251	100.0
71.04898	6.7
72.99179	13.2
73.02811	8.4
75.00754	5.0
78.95817	3.9
81.03349	5.5
83.01257	23.9
85.02793	8.5
87.00731	4.0
89.02323	13.6
96.99196	19.0
97.06483	14.1
97.99996	8.7
98.02344	15.1
99.00101	4.8
99.00758	99.2
99.02592	3.1
99.04402	24.7
100.03888	9.9
100.98679	4.4
101.02340	10.1
111.00762	14.3
114.09151	6.8
115.03900	8.5
116.03416	24.2
116.07075	5.1
117.01807	5.7
117.48872	3.7
123.08007	8.3
124.98718	4.9
125.02337	54.9
125.05960	11.0
125.08747	5.7
125.09614	72.5
125.99444	3.7
127.00262	42.0
129.01808	10.1
142.08632	11.2
142.99759	16.7
143.03421	7.6
143.04533	5.7
143.07033	14.6
144.02939	26.7
144.04419	41.6
154.99756	17.2
157.01297	5.9
159.04398	4.5
169.01352	11.1
169.05009	8.3
169.08531	4.0
187.02376	33.1
187.03914	13.4
187.06038	14.7
187.07649	5.3
187.09647	31.5
188.03249	4.2
188.09200	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	187.0241
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
57.62232	0.5
59.01235	0.9
67.01767	1.1
68.99680	1.0
71.01232	1.1
71.04885	1.6
79.63199	0.6
81.03326	5.3
83.01242	0.8
97.02825	0.9
98.02359	1.2
99.00759	1.6
99.04389	42.7
100.04732	1.5
101.05364	0.5
102.05468	0.8
115.03888	8.4
116.03411	2.9
125.02328	100.0
125.09566	0.6
126.02659	5.1
127.00229	0.7
128.03407	0.7
135.76010	0.6
142.05017	0.5
142.08647	0.8
143.03395	11.1
143.04442	0.5
143.07022	0.8
144.02933	3.1
144.06512	0.6
144.32422	0.6
159.02969	0.5
169.05017	0.7
187.02351	12.8
187.06047	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	175.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01253	2.3
65.01316	1.4
65.99712	0.5
67.02900	0.3
69.35279	2.6
71.01262	2.9
72.99181	0.6
73.02827	0.7
73.26162	0.3
75.49821	0.3
81.04449	0.5
85.02821	1.0
87.00754	4.3
91.02897	0.8
92.02432	0.5
93.03333	0.9
95.04913	0.4
95.68722	0.3
97.36292	0.3
101.03836	0.5
103.05394	0.4
105.04460	0.5
106.03988	0.7
107.02423	0.4
113.05958	0.3
114.63063	0.3
115.00253	4.5
115.03876	0.7
117.03336	0.4
119.04919	0.7
120.01928	0.3
121.03969	0.5
129.03369	0.5
130.04140	2.8
131.03407	0.7
131.04918	12.5
132.05441	1.2
133.02946	0.6
133.03967	1.1
133.05072	1.4
134.03516	1.8
145.02881	0.5
146.03561	0.4
147.04422	5.1
148.01591	0.4
148.05002	1.4
149.03465	0.4
157.02882	1.4
157.05016	0.6
158.03667	1.6
160.01648	0.4
173.02396	0.6
174.03140	31.2
174.88914	0.7
175.03914	100.0
175.06020	2.7
176.04340	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	175.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25992	0.3
52.32299	0.3
53.06411	0.2
58.02850	0.3
59.01240	1.5
64.49869	0.3
65.01318	2.0
65.99709	0.7
67.02889	0.3
71.01247	1.8
71.51563	0.6
72.99184	0.6
73.02792	0.6
81.04446	0.4
85.02811	0.9
85.06458	0.3
87.00739	3.1
89.03825	0.4
91.02895	0.6
93.00011	0.5
93.03310	0.7
94.01102	0.3
94.88163	0.3
95.04918	0.4
101.03845	0.9
103.05439	0.4
105.04447	0.8
106.03997	1.2
107.02401	0.5
115.00252	2.4
115.03863	0.7
117.03380	0.8
118.04020	0.3
119.01234	0.4
119.04935	0.7
121.03989	0.5
129.03372	1.2
130.04134	3.1
131.03387	0.5
131.04922	15.8
132.02039	0.3
132.05348	1.1
133.02853	0.8
133.03976	0.8
133.05121	1.0
134.03496	2.3
135.04308	0.3
145.02847	1.0
147.04422	5.8
147.06593	0.3
148.05049	1.7
157.02875	1.8
157.04956	0.3
158.03629	2.0
173.02406	0.8
173.36537	0.3
174.03142	32.4
174.88887	0.6
175.03914	100.0
176.04280	8.1
194.73785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0387
Annotation	6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone
Peak:m/z	Relative Intensity
59.01255	2.0
60.62959	0.3
65.01318	1.0
65.99718	0.4
71.01247	1.9
72.99136	0.3
82.03984	0.3
83.04907	0.3
85.02819	0.4
86.02355	0.3
87.00752	3.4
92.02399	0.3
93.03347	0.5
95.04898	0.3
101.03857	0.6
105.04432	0.4
106.03990	0.8
107.02396	0.3
115.00246	3.9
115.03885	0.6
119.04899	0.7
122.75613	0.3
123.14010	0.3
129.03342	0.5
130.04131	2.5
131.04918	12.0
132.05310	0.8
133.02881	0.5
133.03987	0.6
133.05075	0.4
134.03488	1.2
145.05032	0.4
147.03337	0.3
147.04417	4.3
148.05017	0.8
157.02814	1.8
157.05028	0.6
158.03664	1.5
173.02377	0.8
174.03140	30.2
174.88899	0.4
175.03917	100.0
176.04297	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	175.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78786	0.2
60.64619	0.2
61.61201	0.3
65.03830	0.4
69.94518	0.3
71.01244	0.5
71.05251	0.7
86.62397	0.3
91.05410	0.8
93.03342	0.7
95.01246	1.8
99.89796	0.3
101.03845	2.3
102.04633	1.1
103.05414	6.0
103.59967	0.3
104.05767	0.4
117.03340	0.7
119.04908	4.3
120.05267	0.4
121.02861	0.3
129.03311	2.5
130.03198	0.5
130.04138	8.2
131.04924	20.6
132.02036	0.5
132.05261	1.5
133.02856	1.2
145.02840	3.5
146.03604	1.3
147.04411	27.9
148.04765	1.5
151.80377	0.3
157.02858	2.8
158.03616	3.0
159.04187	0.3
159.09171	0.3
160.01566	1.9
161.02235	0.3
173.02327	2.8
174.03136	53.8
175.03911	100.0
176.04254	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	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31302	1.3
55.01752	5.6
56.48462	1.2
57.03316	5.8
59.01248	27.3
65.99671	1.3
67.01759	2.5
68.99689	11.6
69.03326	10.2
71.01255	51.6
71.48864	2.1
72.99178	41.8
73.02815	19.6
75.00748	24.7
78.95741	1.6
83.01257	20.2
85.02819	36.6
87.00748	100.0
88.01074	1.9
89.02323	3.3
93.03349	3.0
95.01253	7.5
96.99208	2.2
99.00759	28.9
101.02303	11.5
103.00246	8.3
111.00775	9.7
113.02336	28.5
114.02692	1.8
115.00256	64.5
115.03893	4.2
117.01815	4.8
120.00811	1.4
127.00262	67.5
128.00616	2.4
129.01825	12.2
131.03384	3.4
139.00285	5.2
145.01353	4.2
147.04361	1.7
148.74023	1.4
157.00232	1.6
157.01373	7.8
157.04889	1.8
175.02431	37.1
175.03937	6.1
175.06087	9.4
175.07451	2.9
176.03360	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	175.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.2
59.01252	1.9
61.09187	0.2
62.55089	0.2
64.01799	0.3
65.01319	1.7
65.99719	0.5
66.00835	0.2
67.02882	0.4
70.16225	0.8
71.01257	1.9
72.99180	0.5
73.02805	0.5
81.04462	0.5
82.03960	0.3
83.04916	0.4
85.02811	1.2
85.06452	0.2
86.03892	0.2
87.00747	3.5
87.49980	0.2
91.02896	0.5
92.02423	0.4
93.03346	0.7
95.01247	0.5
95.04906	0.2
101.03831	0.8
103.05419	1.1
105.03219	0.3
105.04458	0.4
106.03988	0.9
107.02402	0.5
113.05994	0.6
115.00250	3.0
115.03913	0.7
117.03300	0.5
119.04906	1.3
121.03941	0.3
129.03345	0.7
130.04118	2.7
131.03441	0.5
131.04927	12.9
132.02005	0.6
132.05223	1.1
133.02849	0.9
133.03967	0.9
133.05064	0.7
134.03500	2.0
137.41321	0.2
145.02844	1.4
146.03572	0.3
147.04416	8.6
147.05598	0.4
148.04976	1.1
157.02849	1.6
157.05029	0.5
158.03641	1.7
160.01566	1.1
161.02361	0.3
173.02321	0.8
174.03136	29.2
174.88901	0.9
174.97096	0.8
175.03914	100.0
176.04314	7.5
190.51694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15231	0.5
57.03317	2.4
58.00460	0.8
59.01251	38.0
60.01591	0.7
60.99177	2.8
65.01312	2.7
65.03835	1.3
65.99712	1.4
67.01407	1.1
67.01760	19.6
68.01312	0.5
69.03321	4.9
69.42911	4.3
71.01259	7.0
71.04900	1.1
72.99178	1.7
73.02819	20.1
81.03337	3.9
83.01264	0.6
83.04900	9.4
85.02824	4.8
85.06461	8.7
86.06824	0.6
86.72137	0.5
89.01324	0.9
91.02898	0.9
93.03336	100.0
94.03678	5.2
97.02832	0.7
99.00752	5.0
99.04392	5.8
101.02296	0.7
105.04459	0.7
106.04011	0.6
109.02821	1.7
111.00776	1.6
111.03640	0.9
111.04405	16.4
111.08040	5.5
112.08432	0.5
113.02309	0.5
113.05969	4.0
115.00230	0.9
116.02410	0.7
117.03355	4.4
118.04037	0.8
119.02420	2.6
127.03872	0.5
129.01836	1.7
129.09091	1.3
130.04004	1.4
131.03537	1.1
131.07034	38.3
132.01945	0.6
132.05556	0.6
132.07368	1.9
137.02335	8.3
139.87108	0.6
143.03426	2.4
145.02855	68.8
146.03366	7.0
146.06010	0.6
155.03415	4.3
173.02356	89.8
173.04498	14.5
173.08124	2.4
173.11736	1.6
174.03111	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	173.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
59.01247	1.7
60.99172	1.3
65.01326	2.2
65.03848	0.6
65.99724	1.6
66.59039	0.4
67.01758	8.3
67.45260	0.4
69.03316	2.1
69.74905	2.0
71.01245	3.5
72.99191	0.8
73.02818	8.6
81.03342	2.1
83.04888	4.5
85.02837	2.0
89.01335	0.6
91.02901	0.7
93.03333	46.5
94.03689	1.4
98.19980	0.6
99.00762	2.9
99.04382	2.6
106.11852	0.5
108.01935	0.6
111.00752	0.9
111.04404	8.8
111.08037	1.7
112.89734	0.5
115.00269	0.6
117.03352	3.5
117.78201	0.4
118.52961	0.5
119.02399	1.6
119.78182	0.4
120.96046	0.5
129.01859	0.9
130.03987	0.9
131.03534	0.8
131.04471	0.5
132.02051	0.5
137.02356	3.6
143.03427	0.9
145.02852	69.8
146.03258	7.0
155.03392	2.2
173.02350	100.0
173.04471	8.4
173.11728	0.6
174.03030	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	173.0235
Annotation	Juglone
Peak:m/z	Relative Intensity
51.94218	0.2
53.55923	0.2
57.03316	0.7
58.00433	0.3
59.01241	1.1
60.99165	1.0
61.08308	0.2
65.01310	1.5
65.03820	0.4
65.99709	0.7
67.01757	7.1
69.00391	0.3
69.03323	1.5
69.25313	1.8
69.25728	0.7
70.45148	0.3
71.01254	2.4
72.99165	0.4
73.02814	5.6
81.03338	1.4
83.04890	3.2
83.50377	0.2
85.02805	1.5
89.01315	0.3
91.02901	0.5
92.02408	0.3
93.03333	35.3
94.03677	1.2
94.67789	0.3
99.00739	1.7
99.04394	2.0
101.02271	0.2
105.04436	0.5
106.03984	0.4
109.02802	0.6
111.00745	0.8
111.04403	6.2
111.08031	1.1
112.04716	0.3
113.09503	0.3
117.03349	3.0
118.03860	0.3
119.02409	1.0
127.11161	0.5
129.01837	0.4
130.04016	0.7
131.03540	0.5
132.05621	0.4
137.02333	2.9
143.03442	0.6
145.02856	68.7
146.03238	4.9
155.03386	1.5
173.02359	100.0
173.04466	7.9
173.08189	0.9
173.11711	1.4
174.02954	12.6
193.85428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88849	0.3
55.01752	0.7
57.03312	1.7
58.00475	0.4
59.01235	1.5
60.99160	1.4
65.01300	2.2
65.03830	0.9
65.99728	0.8
67.01756	10.1
69.03317	2.8
71.01249	4.4
71.04866	0.6
71.50872	0.4
72.99174	1.0
73.02811	10.4
81.03323	1.6
83.01261	0.4
83.04890	4.8
85.02809	2.4
89.01331	0.6
91.02859	0.4
92.02419	0.4
93.03327	59.7
94.03660	2.6
95.01221	0.4
97.02818	0.5
99.00741	3.7
99.04391	3.3
101.02326	0.6
105.04486	0.6
106.03935	0.4
109.02814	1.4
111.00753	1.6
111.04394	11.1
111.08018	2.0
112.03030	0.3
112.04711	0.7
115.52263	0.3
116.02364	0.3
117.03340	2.8
118.03992	0.5
119.02364	1.8
129.01817	1.4
129.05515	0.5
129.09076	1.2
130.03975	0.5
131.03523	1.3
132.05534	0.5
133.03857	0.4
137.02332	4.5
143.03407	1.0
145.02843	59.4
146.03320	4.9
153.44920	0.3
155.03403	2.5
168.96819	0.3
170.16409	0.4
173.02341	100.0
173.04454	11.7
173.08151	1.6
173.11754	0.7
174.03026	17.1
174.06522	0.8
174.08032	0.4
189.70088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0236
Annotation	Juglone
Peak:m/z	Relative Intensity
51.95808	0.2
54.74500	0.2
55.01746	0.3
57.03315	0.7
59.01239	0.7
59.80209	0.2
60.99170	0.7
65.03836	0.4
67.01405	0.4
67.01759	5.7
67.11261	0.2
69.03336	1.2
69.67809	1.2
71.01260	1.7
71.04877	0.3
72.99192	0.2
73.02814	4.4
73.92441	0.2
76.94257	0.2
81.03315	0.9
83.01261	0.2
83.04890	1.8
85.02822	0.8
88.68965	0.2
88.70907	0.2
93.03333	27.0
94.03663	1.1
99.00749	1.2
99.04383	1.3
109.02828	0.5
111.00760	0.7
111.04408	4.5
111.08029	0.8
112.04742	0.3
116.57807	0.2
117.03352	3.0
129.01791	0.5
129.05452	0.2
137.02328	1.9
143.03407	0.2
145.02850	59.5
146.03201	4.3
155.03435	1.0
172.11911	0.2
173.02353	100.0
174.03104	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.6
55.34795	0.3
57.03317	1.6
57.18181	0.3
58.00445	0.5
59.01246	10.0
60.99165	1.5
62.69331	0.4
65.01317	1.6
65.03822	0.9
65.99714	0.7
67.01756	10.5
69.03325	2.6
71.01256	4.9
71.04885	0.7
72.99185	1.0
73.02815	11.8
74.03130	0.4
81.03329	2.4
83.04887	5.3
85.02816	2.2
85.06467	1.9
87.00708	0.4
88.67519	0.3
91.02888	0.7
93.03330	59.1
94.03667	2.1
99.00766	3.2
99.04404	3.2
101.02320	0.5
106.04008	0.4
109.02839	0.7
111.00777	1.9
111.04402	9.6
111.08019	1.9
112.04684	0.4
113.02373	0.4
113.05936	1.5
117.03340	4.5
119.02380	1.4
129.01834	1.1
129.05415	0.3
130.04024	0.6
131.03548	0.4
131.07025	9.2
132.07396	0.4
133.50404	0.4
137.02345	5.8
138.51160	0.4
143.03410	1.2
145.02847	74.7
146.03252	5.7
155.03416	2.4
173.02348	100.0
173.04456	6.4
173.08112	1.4
173.11731	0.7
174.03116	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03321	0.6
58.38438	0.3
58.80788	0.3
59.01251	1.1
60.99173	0.7
61.70575	0.4
62.03510	0.3
65.01320	0.9
67.01759	4.6
69.03326	1.3
69.75297	2.0
71.01247	1.8
71.04900	0.4
73.02824	4.0
81.03343	0.8
82.91842	0.3
83.04916	2.0
85.02832	1.3
90.60188	0.3
93.03334	26.3
94.03685	1.2
99.00755	1.3
99.04419	1.2
106.03954	0.5
111.00749	0.6
111.04401	5.3
111.08036	0.8
116.02456	0.3
117.03349	3.4
118.03894	0.4
119.02409	0.9
129.01862	0.7
131.03540	0.4
137.02361	2.8
143.03380	0.5
145.02850	62.2
146.03244	4.0
155.03391	1.2
173.02354	100.0
173.04417	4.3
174.02898	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00172	1.1
55.01757	6.9
57.03318	7.0
58.00470	0.7
58.02846	2.4
59.01249	7.6
60.99174	1.4
65.03815	1.1
65.26839	0.4
67.01758	11.2
68.02080	0.4
68.99686	3.1
69.03319	2.3
71.01248	100.0
71.04893	0.9
71.29941	0.4
71.49115	0.8
72.01585	2.6
72.99175	8.3
73.02814	26.1
74.03143	0.5
75.00735	0.5
80.99712	1.4
81.03317	3.0
83.01254	8.9
83.04893	11.6
84.05228	1.0
85.02814	12.6
85.06444	1.3
86.05999	1.3
87.00750	4.9
93.03330	62.3
94.03658	3.3
96.99190	2.8
99.00751	37.2
99.04391	5.2
100.01074	1.1
100.07545	3.1
101.02328	2.0
101.05991	0.6
109.02847	1.3
111.00761	41.1
111.04391	19.2
111.08004	2.0
111.54302	0.4
112.01124	1.8
112.04776	0.7
112.98687	14.9
113.02316	0.5
113.99056	0.5
115.00251	4.4
115.03991	0.4
117.03348	0.4
124.98693	24.4
125.99461	0.8
127.00271	0.7
127.03909	0.8
128.07062	7.4
129.01826	4.8
129.05453	3.2
132.06596	0.8
137.02341	8.4
137.03337	0.7
138.02739	0.6
140.98235	0.7
142.99754	46.0
143.03410	1.2
144.00114	1.7
145.01340	0.7
145.02853	2.0
154.99773	4.1
155.03397	4.5
173.00867	13.9
173.02345	2.6
173.04471	10.6
173.08144	1.7
174.01569	0.7
174.03127	1.0
174.04691	0.4
174.07626	4.0
180.82861	0.4
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
55.01756	2.4
57.03331	2.7
58.00452	0.8
58.02842	0.5
59.01247	4.3
60.99176	2.9
65.03817	1.4
67.01756	18.8
68.02068	0.7
68.99678	1.1
69.03329	4.7
69.73979	2.5
71.01254	37.0
71.04893	0.9
72.01607	0.6
72.99180	4.5
73.02819	20.4
75.00732	0.5
77.63613	0.5
80.99673	0.6
81.03321	3.6
81.48809	0.4
83.01259	3.3
83.04896	8.4
85.02815	4.9
87.00751	1.7
93.03333	100.0
94.03671	5.2
95.01253	0.6
96.99190	1.2
98.19896	0.6
99.00757	14.6
99.04398	5.3
100.07550	0.5
101.02307	1.2
109.02821	1.4
111.00752	2.3
111.04401	17.3
111.08038	3.8
112.08419	0.5
112.98692	1.8
113.02338	0.7
115.00259	2.8
115.03883	0.5
117.03374	0.5
123.00774	0.7
124.98701	7.5
127.00285	0.7
128.07065	1.9
129.01807	2.7
129.05486	0.7
137.02328	7.6
142.99763	13.8
143.03400	1.0
145.01303	0.6
145.01585	0.7
145.02853	9.3
154.99753	2.0
155.03404	2.7
173.00844	4.2
173.02356	13.6
173.04462	9.2
173.05841	0.7
173.08084	1.5
173.11746	0.7
174.01883	0.5
174.03189	4.3
174.07585	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	171.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25600	0.3
54.57045	0.3
57.03302	0.4
59.01249	2.7
63.49101	0.3
65.03833	9.1
66.03347	1.7
66.04163	0.5
67.01762	5.0
68.01288	0.5
68.99682	1.1
69.03326	8.4
70.97527	0.5
70.97875	0.4
71.01250	8.7
71.04893	2.0
72.99165	1.3
73.02820	0.3
78.95778	0.8
79.98901	0.3
81.03329	21.4
82.02846	0.4
82.03678	0.6
83.01255	1.1
83.04894	1.1
85.02837	2.2
85.99953	0.5
87.00743	2.4
91.01767	0.9
95.01254	1.3
97.02827	2.0
99.00748	2.2
99.04391	3.4
108.02053	7.5
109.02834	100.0
110.02361	4.3
110.03183	3.9
111.00764	3.9
112.00320	0.8
113.02330	0.8
113.57652	0.3
124.98764	0.6
125.02333	2.9
127.03899	67.3
127.11190	0.4
128.04234	3.0
128.98485	0.4
141.01894	0.3
143.03433	1.7
152.98232	0.8
153.01857	3.0
163.38643	0.3
170.97980	0.3
170.99390	1.2
171.02922	10.7
171.06491	0.3
171.10176	4.5
172.02332	0.6
191.95032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01818	0.5
55.01752	0.6
57.03316	0.6
59.01239	2.8
65.03835	9.0
66.03356	5.1
67.01758	5.4
68.99672	1.9
69.03322	7.9
70.97140	1.2
71.01248	9.9
71.04892	1.6
72.99177	3.2
77.93658	0.6
78.95797	0.6
81.03326	22.5
82.02851	1.4
82.03674	0.8
83.01250	2.2
83.04893	1.7
85.02827	2.5
87.00763	6.2
87.15349	0.6
91.01766	1.8
95.01273	1.2
96.99216	0.8
97.02818	1.8
98.02416	0.6
99.00771	3.4
99.04404	2.9
108.02052	7.9
109.02832	100.0
110.02360	10.4
110.03181	4.8
111.00766	3.5
112.00292	1.8
120.03680	0.5
124.98689	1.8
125.02316	3.6
127.00281	1.6
127.03899	59.5
128.04240	2.0
142.99762	0.9
143.03389	0.7
143.15240	0.6
152.98218	1.9
153.01851	2.8
170.99289	2.2
171.02962	8.8
171.10194	6.2
172.02444	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	167.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
57.06480	0.2
59.01245	2.4
65.00191	1.8
67.01760	0.8
67.02925	0.3
68.99675	0.4
70.07150	1.2
71.71671	0.2
80.02567	0.7
81.03327	20.0
82.03651	0.5
83.01253	7.3
84.01592	0.4
87.92446	0.2
91.01775	0.4
95.01257	0.6
95.04892	2.9
97.02768	0.5
99.04397	0.7
107.00652	0.3
107.01259	1.7
108.02054	3.1
117.26611	0.2
123.04404	100.0
124.01569	0.6
124.04729	5.2
125.02336	6.8
125.03283	0.5
126.02633	0.4
139.03966	0.3
140.02422	0.3
149.02312	0.6
151.00278	3.4
152.01053	5.2
153.01625	0.4
167.03404	68.1
168.03760	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.4
58.02847	100.0
59.03180	2.3
60.92524	0.4
65.00208	0.4
68.99678	0.6
69.03325	0.5
70.02847	0.6
81.03335	0.7
94.16767	0.4
95.04919	0.5
97.02842	1.1
97.06458	0.4
109.02341	0.6
113.02290	0.4
117.85352	0.4
123.04394	0.5
125.02335	8.2
125.03271	0.6
125.05994	0.4
138.60661	0.4
150.05547	0.5
151.00330	0.6
151.11166	0.5
153.01456	0.9
153.98979	0.4
154.02596	0.4
168.13823	7.5
169.01360	3.0
169.05028	1.0
169.12283	0.6
169.14223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
55.01754	1.0
56.44520	0.3
57.03327	2.5
65.00187	0.6
67.01765	1.2
68.99686	1.7
69.03326	6.6
69.98534	1.4
71.01255	2.1
79.01765	1.2
80.96385	0.4
81.03339	1.8
83.01243	1.6
85.02824	2.7
95.01254	1.3
97.02830	4.7
99.00755	2.9
102.74873	0.3
107.01276	1.0
109.99976	1.4
111.00777	0.7
113.02336	4.8
123.00775	0.6
124.01543	1.3
125.02338	100.0
125.09621	0.4
125.99482	1.2
126.02673	5.0
137.99498	0.7
139.00298	0.7
150.96960	0.8
151.00299	0.7
168.98111	1.0
169.01338	33.0
170.01663	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	166.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18383	0.2
59.14759	0.2
62.65328	0.2
65.03798	0.2
67.01750	0.5
71.50211	0.3
80.02505	0.2
80.04875	0.2
81.03317	0.3
81.04438	0.3
82.03995	0.2
91.01749	0.8
93.03315	1.1
94.02871	0.3
94.03652	0.3
95.01253	1.3
95.04888	0.8
96.00729	0.2
97.02817	0.6
97.03946	0.5
108.02049	7.3
108.04401	0.4
109.02814	0.5
110.03131	0.2
111.00755	0.4
111.04372	0.3
112.61394	0.2
121.02840	12.3
122.02358	0.4
122.03125	1.9
122.06003	0.4
123.00755	1.9
123.04410	5.5
123.07970	0.3
124.01556	1.0
124.03963	0.2
124.05014	0.6
125.02329	0.7
135.04370	0.2
136.05191	10.9
137.02315	0.4
137.05527	0.5
138.02792	0.2
138.05502	0.3
139.00255	0.2
139.03918	0.8
149.02342	0.2
151.00317	1.4
151.02643	23.2
152.01053	14.9
152.02814	1.1
166.05000	100.0
166.99756	0.2
167.01225	0.3
167.03397	6.7
167.05334	6.9
167.07027	0.9
167.10732	0.3
183.01651	11.8
184.02002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62292	0.2
52.99138	0.2
59.01246	0.3
63.02295	0.2
63.04012	0.2
65.00183	0.2
65.01304	0.2
65.03810	0.3
65.99703	0.2
66.03356	0.4
67.01769	0.2
68.99669	0.2
69.03312	0.3
70.88950	0.3
70.89265	0.3
81.03320	0.5
81.04474	0.2
82.03977	0.5
83.01289	0.3
83.04875	0.3
91.01759	0.9
92.04969	0.9
92.99700	0.3
93.03314	1.1
94.02854	0.4
94.03578	0.2
95.01274	1.6
95.02435	0.2
95.04908	0.8
97.02834	0.6
97.03964	1.0
101.03331	0.2
105.02127	0.3
108.02050	7.8
108.04459	0.5
109.02824	0.7
111.00764	0.3
111.04364	0.4
118.02805	0.2
120.04401	0.5
121.02891	1.4
121.03645	0.3
121.05223	2.9
121.06507	0.2
122.02375	0.3
122.03187	1.1
122.05989	0.6
122.06826	0.2
123.00789	1.7
123.04410	5.8
123.08025	0.5
124.01562	0.9
124.03959	0.4
124.05049	1.0
125.02341	1.0
133.01584	0.3
135.00824	0.2
135.04391	1.1
136.04016	0.9
136.05196	22.4
137.02368	0.6
137.05516	1.3
138.02974	0.2
138.05495	0.6
139.03917	0.7
140.02489	0.3
146.36729	0.2
148.03879	0.2
148.04893	0.3
149.02370	0.3
151.00264	2.0
151.03513	0.4
152.01054	16.8
152.08386	0.2
164.03424	0.2
166.05005	100.0
166.99669	0.3
167.03413	6.7
167.05334	6.3
167.07010	0.9
167.10701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.4
57.03316	7.6
59.01248	5.1
65.01309	3.0
67.01763	4.7
69.03314	2.9
69.55145	4.9
69.55563	13.3
69.73643	2.2
74.02344	2.2
81.03330	3.0
83.01281	2.9
83.04894	7.0
84.00790	2.9
84.04420	6.0
85.02820	100.0
86.03156	3.9
86.03613	38.0
93.03335	28.8
95.01257	52.5
96.00791	3.7
96.01601	2.4
97.06497	2.5
99.00738	2.3
107.14989	2.4
109.06409	2.6
111.00779	4.0
111.04401	9.4
111.08018	9.1
112.03893	2.5
113.03484	3.8
114.05478	7.0
118.02601	12.2
127.00277	3.9
137.02351	4.8
137.09605	4.3
137.36113	2.5
140.01025	3.2
154.99725	3.9
155.03474	34.1
155.06961	2.8
155.10672	43.3
156.05527	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	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	0.6
59.01246	6.9
68.99673	0.5
70.30666	0.4
70.50946	1.5
71.01249	5.5
72.99181	3.9
73.02816	3.2
75.00745	13.3
77.96727	0.4
81.47963	0.4
85.02819	0.7
87.00747	100.0
88.01101	2.8
89.02312	2.7
99.00758	11.5
101.02301	3.4
105.01815	72.8
106.02152	1.1
117.01822	2.9
119.03405	0.8
121.02797	0.7
129.01826	0.9
135.02878	2.2
147.02890	4.4
150.03113	0.8
165.03955	28.6
166.04285	1.0
176.78117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80764	0.6
55.01730	0.8
57.03313	1.0
59.01247	8.3
59.40042	0.6
61.69751	0.7
64.50967	0.6
69.53529	4.6
69.53920	1.4
71.01254	7.3
72.99177	4.8
73.02805	3.0
75.00742	26.6
79.95586	0.8
87.00746	100.0
88.01089	2.5
89.02317	2.7
93.03365	0.7
98.20544	0.9
99.00755	11.2
100.01041	0.7
101.02295	3.3
105.01814	72.2
106.02168	2.2
109.23991	0.7
117.01823	3.3
119.03413	0.9
121.02837	1.0
129.01849	2.1
135.02892	1.9
137.02333	0.8
147.02882	7.2
165.03954	51.0
166.01804	0.8
166.04295	2.3
169.34412	0.7
174.59288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63725	0.2
54.25430	0.3
58.02856	0.4
59.01239	1.1
61.05042	0.3
65.00191	0.8
65.01314	1.2
65.99723	0.8
66.03353	0.7
67.02870	0.4
68.01279	0.4
69.03322	0.4
69.38878	2.4
71.01247	0.8
72.99175	36.6
73.35925	0.2
73.99525	0.4
75.00739	1.3
77.03846	0.5
81.03313	0.8
81.04427	0.4
82.02863	0.3
82.03982	0.7
82.20078	0.3
83.04909	0.3
85.02819	0.3
87.00750	4.2
89.02283	0.4
91.01767	1.7
91.05408	0.6
92.33530	0.3
92.99686	1.3
93.03336	2.3
94.02862	0.8
95.01252	0.6
95.02392	1.2
95.04926	0.3
96.00802	0.5
97.03948	1.1
98.02371	0.4
101.03835	1.9
102.04120	0.3
103.05397	0.5
105.01825	2.8
106.94123	0.3
108.02032	1.0
109.02827	2.6
109.03947	0.7
109.83977	0.3
110.03552	0.3
117.03346	0.6
119.04910	38.1
120.05254	2.8
121.02834	12.6
121.06483	1.1
122.03537	1.4
122.06036	0.5
123.00771	1.7
123.01900	0.7
123.03011	0.4
123.04399	1.3
123.05486	0.4
123.08025	0.4
124.03954	0.3
124.05026	1.0
125.03451	0.3
135.04437	0.7
136.01535	0.3
136.05061	0.4
137.02325	3.1
137.03333	0.4
137.05981	0.8
138.01819	0.5
138.02969	0.6
138.05511	0.5
139.05096	0.4
147.04410	100.0
148.04745	6.6
149.00845	0.7
149.02240	0.3
150.03117	5.7
151.00252	2.3
151.03740	0.3
154.02576	0.3
164.89453	0.5
165.01863	4.3
165.03999	3.5
165.05455	32.8
165.09113	1.8
166.02513	0.8
166.06056	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	150.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69518	0.8
55.77563	0.8
57.51176	0.8
58.82371	0.8
59.01244	2.1
65.01305	3.3
65.03841	1.2
65.99721	2.9
67.01756	2.0
67.02877	3.1
68.01312	1.5
70.30428	1.6
70.30836	3.3
71.01251	6.6
81.04453	1.2
82.02891	1.2
85.49083	0.8
89.02311	2.6
93.03335	2.8
94.02865	0.9
95.01275	4.3
95.02410	1.2
95.04898	1.7
101.02348	4.0
106.03995	1.0
106.25643	0.9
107.04916	8.1
108.02040	8.8
108.04413	1.0
108.05542	1.1
109.02834	2.9
109.03951	3.1
120.01974	1.6
121.02825	7.1
122.02377	1.1
122.03656	9.2
123.00790	5.8
123.01890	4.2
123.04414	16.8
124.01519	1.9
128.57362	1.0
136.01553	72.9
137.02351	1.8
139.03929	3.5
149.02325	7.2
150.03120	100.0
151.00323	1.0
151.03929	31.3
151.05974	1.4
151.07495	2.1
154.02634	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45565	0.2
58.02836	0.3
59.01230	0.4
59.58168	0.3
65.00187	0.3
65.96679	0.2
65.99710	0.3
66.03345	1.0
67.01767	0.3
67.02875	0.8
69.03326	0.4
71.51811	0.3
71.52194	0.4
72.04401	1.2
74.85526	0.3
75.17776	0.2
76.01796	0.2
78.03381	1.3
80.96366	0.4
81.02912	0.3
81.03327	1.4
81.04420	0.2
82.02842	0.5
82.03958	0.3
83.01224	0.3
94.02837	0.5
95.01256	0.3
97.02822	0.4
104.01356	0.3
106.02875	0.3
107.03650	5.3
107.04844	0.3
108.02041	2.8
109.02835	23.4
109.06443	0.6
109.99125	0.5
109.99973	2.4
110.02368	0.6
110.03510	0.5
111.01855	0.3
121.02800	0.7
122.02341	0.9
122.03621	29.4
123.03844	1.9
124.01559	0.5
124.03885	0.3
124.04756	0.4
125.02325	1.5
125.03394	0.3
134.02423	0.4
134.03487	0.4
135.04355	0.5
136.01535	0.3
137.01913	1.0
137.99481	1.9
138.03110	0.9
151.00288	0.3
152.03426	100.0
153.01859	6.8
153.03772	6.1
153.05458	1.5
153.12746	0.5
156.23654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37963	0.1
62.70130	0.2
66.03355	0.2
69.42385	0.3
69.42789	1.3
72.04408	0.3
81.03345	0.3
81.04461	0.2
82.02874	0.2
83.01214	0.2
108.02051	0.7
109.02835	6.0
109.99208	0.2
109.99947	0.7
121.02840	1.1
122.03619	42.6
123.03935	2.6
125.02311	0.4
131.04007	0.2
137.01872	0.4
137.99480	0.5
139.57961	0.2
151.00290	0.2
152.03427	100.0
153.01906	1.6
153.03773	5.8
153.05513	0.3
153.12688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.8
56.50675	2.0
67.01758	7.3
68.99683	4.2
69.03302	3.3
69.28238	18.2
71.01242	5.5
75.00741	8.5
78.95763	3.7
81.03320	3.4
83.01257	4.6
83.04907	7.8
85.02809	3.3
93.03336	28.4
95.01261	100.0
96.01593	2.6
96.78915	2.1
96.95886	29.7
96.96838	2.2
111.00748	4.9
111.04386	6.4
114.05481	10.0
123.00763	2.7
125.02311	3.0
127.00240	6.0
137.02344	3.9
140.00989	6.7
154.90463	3.4
154.96432	4.3
154.99809	7.2
155.03448	42.4
155.07016	3.2
155.46738	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.28564	0.4
52.81719	0.4
53.91070	0.4
59.78579	0.4
67.01740	0.4
69.98374	2.5
88.45296	0.4
98.19894	0.7
101.99067	0.4
108.02049	67.9
109.02367	3.7
111.00758	1.3
117.92666	0.5
127.11870	0.5
128.57057	0.5
133.81624	0.4
138.01865	100.0
139.00362	0.8
139.02217	6.6
151.82889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	18.6
55.55591	1.7
59.01249	7.1
62.11166	1.5
68.99676	6.1
69.03346	1.9
69.98186	1.6
71.01256	50.3
71.49450	1.8
71.49847	2.2
72.01578	2.2
80.99693	6.7
81.03374	1.9
83.01279	1.9
84.02033	1.8
85.02838	11.1
87.00755	12.3
96.99193	27.2
97.02814	1.9
99.04388	4.6
112.98685	32.3
115.00260	7.4
115.16098	2.0
124.98697	82.3
125.02345	2.2
125.99002	1.9
140.98239	10.1
140.99197	1.9
142.99763	100.0
143.03421	4.8
144.00111	6.7
144.04440	33.2
144.06546	1.8
158.99249	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44224	7.1
59.01248	22.5
64.01772	8.8
65.01316	73.0
65.99707	32.2
67.02879	12.4
71.01244	26.0
71.50655	7.8
71.51051	8.6
72.99146	10.0
75.00729	15.1
77.01322	8.7
79.02908	14.0
84.17467	7.4
90.00822	13.9
95.25882	6.6
105.04465	27.0
106.03996	42.9
118.03971	14.4
119.02390	9.2
119.04885	27.1
120.01909	31.3
120.02705	7.7
120.05528	14.8
121.03944	20.2
147.01849	24.7
147.02994	35.9
147.04375	74.0
147.05524	12.6
147.06610	18.8
148.01488	7.6
148.03947	15.3
148.05061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	hydrocinnamic acid
Peak:m/z	Relative Intensity
50.27949	0.6
55.01748	2.1
65.01291	1.4
65.03830	2.2
65.99717	1.4
66.82916	0.5
69.63201	2.5
69.63613	1.4
76.14234	0.6
77.03838	0.7
81.04449	0.7
82.00488	1.7
84.05412	0.5
84.24595	0.5
85.66809	0.7
89.02296	0.9
92.02538	1.3
93.03336	17.4
94.03658	0.9
95.01255	8.9
95.04907	0.7
106.04014	0.9
108.02049	15.7
119.39557	0.6
121.02840	6.1
121.06451	1.4
122.03522	1.1
123.00807	0.6
123.01883	0.8
134.03616	1.0
147.04388	1.6
149.02397	4.2
149.05980	100.0
149.99988	0.7
150.03094	2.0
150.06314	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	1.7
59.01238	1.1
62.70965	0.2
64.01782	0.8
65.00992	0.4
65.01313	5.2
65.03833	0.2
65.99717	4.9
66.00874	0.3
68.01292	1.6
69.32813	1.7
71.01252	0.7
72.99188	0.3
73.02814	0.5
77.01320	1.7
79.02898	1.1
85.79923	0.3
90.00886	0.3
91.02891	3.7
91.05380	1.3
92.01286	3.4
92.02427	1.4
92.03231	0.4
93.00813	1.7
93.03326	3.8
93.04456	0.5
98.19826	0.4
101.92279	0.3
101.92896	0.3
104.02505	0.5
105.03220	0.4
117.03327	0.7
118.03991	1.2
118.92511	1.7
118.93320	0.3
119.02438	11.7
119.04909	100.0
120.01048	0.4
120.01951	4.6
120.02718	0.4
120.05567	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	7.3
56.63861	2.8
57.03320	28.5
59.01244	3.2
67.01761	59.3
68.02111	3.9
68.99696	13.8
69.78125	2.6
71.01250	10.3
71.48521	6.3
72.99190	4.5
73.02808	4.4
77.97883	2.7
83.01266	4.4
83.04889	4.8
83.10992	2.7
85.02825	100.0
85.75009	2.5
86.03170	3.6
88.03916	12.1
99.00753	6.9
101.02335	9.9
105.73605	2.7
111.00787	3.2
111.04431	5.4
111.62534	2.7
129.01825	17.0
129.05464	6.3
130.04002	12.3
130.08580	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.6
57.03326	14.2
59.01242	3.7
65.01337	2.5
69.03327	2.9
69.72878	11.9
71.01236	16.4
72.99168	2.8
73.02827	15.1
75.00741	3.2
76.89606	2.1
85.02814	70.5
85.06450	3.9
87.04404	12.5
88.03928	3.1
101.02297	2.9
111.88082	2.0
113.02356	2.8
113.06051	1.8
113.93318	1.9
124.23257	2.2
130.04005	9.9
130.08624	100.0
131.03423	28.3
131.08998	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	131.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00234	0.8
53.45853	0.4
57.03318	4.1
59.01259	0.9
65.01312	4.6
65.99718	0.6
67.02872	1.6
69.03320	1.0
69.44555	3.6
71.01247	1.7
72.99193	1.3
73.02818	2.9
74.35120	0.5
75.00737	0.7
77.01324	1.0
81.04456	0.9
83.04905	1.0
85.02826	17.3
85.06458	100.0
86.03142	0.9
86.06796	4.9
87.04388	1.7
89.01335	2.9
90.00838	0.8
91.02882	3.2
98.02984	0.5
98.19741	0.6
104.02423	1.0
105.04453	1.0
113.05972	0.9
119.39899	0.5
127.91420	0.5
129.05467	1.1
130.02705	1.0
130.83022	0.4
131.01184	0.5
131.03494	16.9
131.04335	1.1
131.07028	38.7
132.01915	0.6
132.03818	0.6
132.05576	2.6
132.07341	2.7
141.90590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55884	1.0
57.03334	1.5
57.26686	1.1
58.00455	1.3
58.02851	1.0
59.01255	13.5
63.28675	1.1
65.01325	2.0
69.03292	1.3
69.65038	7.1
71.01254	100.0
71.04894	9.0
72.01593	3.0
72.99167	5.6
73.03937	21.5
74.02341	3.5
87.00745	28.4
89.01324	3.1
94.27996	1.1
96.99193	4.9
97.02814	1.8
115.00253	21.0
115.03138	1.1
115.03883	7.7
116.02425	7.6
116.07056	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55884	1.0
57.03334	1.5
57.26686	1.1
58.00455	1.3
58.02851	1.0
59.01255	13.5
63.28675	1.1
65.01325	2.0
69.03292	1.3
69.65038	7.1
71.01254	100.0
71.04894	9.0
72.01593	3.0
72.99167	5.6
73.03937	21.5
74.02341	3.5
87.00745	28.4
89.01324	3.1
94.27996	1.1
96.99193	4.9
97.02814	1.8
115.00253	21.0
115.03138	1.1
115.03883	7.7
116.02425	7.6
116.07056	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06800	0.1
50.59459	0.1
55.01752	0.5
59.01250	0.7
71.01261	0.7
71.04895	0.2
71.49765	0.1
73.02817	100.0
74.03151	3.2
88.91972	0.1
90.00876	0.1
99.00753	8.6
99.92454	1.1
100.01097	0.4
100.92447	0.1
116.91911	0.2
116.92738	2.6
117.01820	13.2
117.92740	0.2
118.02143	0.6
118.02883	0.3
118.03996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.7044
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02763	0.4
87.00697	0.4
89.02246	0.6
89.26335	0.2
97.02802	0.2
97.06448	0.9
99.00677	0.2
101.02310	1.0
113.02236	0.5
119.03330	0.2
125.02240	0.6
137.02223	0.2
141.53850	0.2
143.03320	0.3
153.09032	0.6
161.04428	0.2
169.01285	0.2
179.05464	0.3
189.01752	0.2
189.12720	0.2
191.14345	0.2
217.15768	0.3
235.08054	0.6
237.14876	0.3
253.09314	0.2
261.14911	0.3
267.06427	0.2
277.18979	0.3
277.21710	3.6
278.21930	0.4
287.07700	0.4
300.99832	0.7
305.08743	0.3
372.24615	0.2
373.25128	0.3
374.25949	0.2
381.27826	0.5
387.30600	0.8
389.28552	3.0
390.28516	0.3
391.26114	0.4
391.30566	0.2
393.27411	0.3
393.31891	0.3
397.13486	10.7
398.13730	0.5
403.30304	0.3
405.31763	0.7
406.23660	0.3
406.28720	5.6
407.29443	1.5
409.27017	0.2
409.31961	0.2
415.14557	3.3
421.31223	3.1
422.31348	0.5
423.32892	8.0
424.28546	0.4
424.33066	0.7
425.30078	0.4
437.30298	0.2
439.27795	0.7
439.32211	1.6
440.32910	0.7
441.33701	1.0
452.14841	0.2
455.31683	0.3
457.33191	0.9
458.33167	0.3
459.34415	0.2
467.31534	1.6
469.33194	100.0
470.33566	11.0
470.40543	0.3
483.31122	0.4
484.31738	0.3
485.32584	2.6
486.33408	0.2
501.32126	3.8
502.32550	4.6
503.33713	20.9
504.34033	2.0
513.32288	3.1
514.32416	0.4
529.31750	0.5
675.35986	1.8
708.89740	0.2
1171.71448	0.2
1179.70081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7457
Annotation	Unknow
Peak:m/z	Relative Intensity
88.56892	0.0
125.02318	0.0
131.36322	0.0
137.02457	0.0
151.03874	0.0
154.67819	0.0
161.02309	0.0
169.01427	0.0
175.04004	0.0
190.02548	0.0
209.11806	0.0
215.72301	0.0
229.01204	0.0
274.01190	0.0
275.01926	0.0
298.98346	0.0
299.99075	0.1
300.99677	0.2
324.02866	0.0
344.54510	0.0
363.27078	0.1
375.27225	0.0
377.28415	0.1
379.30106	0.4
391.30118	0.2
393.27707	0.0
393.31778	0.2
401.28586	0.1
407.29633	0.1
409.31122	1.0
410.31506	0.1
417.27936	0.0
421.31161	0.3
422.31329	0.0
423.29291	0.1
439.32257	0.0
441.33463	0.0
479.04431	0.1
480.05569	0.1
485.32846	0.1
486.32883	0.2
487.34253	100.0
488.34570	13.2
489.34717	0.1
649.39270	0.2
1137.74316	1.7
1138.74695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7449
Annotation	Unknow
Peak:m/z	Relative Intensity
92.51234	0.0
101.02310	0.0
118.30235	0.0
119.04963	0.0
125.02326	0.1
151.03903	0.0
161.02312	0.0
161.04269	0.0
167.03485	0.0
169.01160	0.0
174.03018	0.0
175.03952	0.0
177.01875	0.0
201.05463	0.0
209.11821	0.0
271.09644	0.1
299.98962	0.0
300.99820	0.1
324.02780	0.1
325.03302	0.0
421.31100	0.1
425.30832	0.0
439.32990	0.1
441.33533	0.1
469.33008	0.2
485.32977	0.1
486.32895	0.2
487.34235	100.0
488.34570	9.5
513.31934	0.0
649.39294	0.3
1137.74524	1.5
1138.74219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95766	1.0
81.03326	3.9
83.01254	8.7
85.02836	0.9
87.00726	0.9
89.02316	2.6
93.03328	2.1
95.01257	1.8
95.04925	2.0
97.02831	3.5
99.04393	2.0
101.02340	3.3
107.04879	1.3
109.02834	6.0
113.02323	1.2
121.02815	4.6
122.03604	1.0
123.04373	1.9
124.01539	0.9
125.02337	42.3
126.02663	1.5
130.04089	1.0
133.02815	0.9
133.45248	0.9
135.04388	3.5
137.02342	34.5
138.02676	0.9
139.03856	1.4
146.03629	15.2
147.04434	1.1
149.02342	1.5
150.03191	1.6
150.49425	0.7
151.03885	3.3
158.03641	1.2
159.04436	8.4
160.05237	2.4
161.02402	1.5
161.04538	0.7
161.05988	1.8
162.03142	1.1
163.00279	1.2
164.01079	9.6
164.29375	0.8
165.01849	20.5
165.03226	1.2
167.03412	11.3
171.04327	0.9
172.05212	3.7
173.06010	3.2
174.03143	9.6
174.06737	1.3
175.03876	2.8
176.04666	1.8
177.01848	4.2
177.34494	0.8
179.03415	7.5
181.43204	0.8
185.06029	2.1
186.06737	0.9
187.03952	5.2
188.04692	6.8
190.02654	1.2
192.59366	0.8
196.05124	0.8
197.06039	1.2
199.03925	1.5
199.07570	2.4
200.04761	4.6
201.05531	3.5
204.04192	2.9
209.06027	1.5
210.06808	1.1
211.04027	1.4
212.04730	5.7
213.05376	1.7
217.12210	1.0
221.06665	1.7
223.07709	1.0
224.04727	1.4
225.05553	3.6
225.12869	1.2
226.06230	1.8
227.07071	1.2
228.07828	1.7
235.07814	1.0
236.04749	1.3
237.05475	2.1
237.09161	1.2
239.07155	1.0
241.12291	1.2
243.13799	1.1
251.07111	2.6
252.07945	2.9
254.05798	1.5
255.13922	3.3
255.23274	15.1
255.71846	0.9
265.08728	1.0
268.07538	2.6
269.08167	1.3
269.11749	4.0
270.08945	2.5
270.12195	1.2
271.13376	20.8
272.13495	1.0
283.13367	1.9
285.14969	3.4
287.12900	1.9
289.14453	4.7
294.09055	4.4
294.11990	0.9
295.13449	2.5
297.15021	2.6
299.12921	7.7
300.13403	1.7
301.14362	1.8
309.15073	1.9
311.16757	2.2
313.14401	12.4
314.14725	1.3
315.15985	1.1
317.13943	3.0
320.06760	1.4
325.14462	9.8
331.15427	2.0
335.16467	2.5
337.14398	8.0
343.15540	5.4
349.18198	1.1
351.15976	1.4
353.17548	2.2
355.15552	3.0
369.16922	1.2
373.17206	1.1
377.17609	3.7
379.15356	2.4
391.19403	1.5
393.16922	1.9
395.18613	4.8
401.17563	1.8
413.19626	1.1
419.18674	10.5
420.19177	1.1
435.17706	1.4
437.19595	6.0
445.16562	1.6
463.17508	2.7
469.33160	1.7
487.34094	0.9
760.42566	1.1
817.32739	1.0
835.33051	1.3
879.32422	1.2
896.16638	1.0
926.53925	0.8
937.51483	1.7
967.52795	19.4
968.53394	3.7
979.52203	8.7
980.52008	1.2
991.52246	11.0
992.52026	1.4
997.53766	11.9
998.53931	2.8
1009.54419	1.1
1033.52356	2.1
1049.56628	1.3
1073.56909	18.0
1074.57397	4.6
1091.56750	3.8
1099.55017	8.4
1100.55798	1.8
1117.55798	100.0
1118.55969	27.7
1135.56921	74.4
1136.57178	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	1135.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95766	1.0
81.03326	3.9
83.01254	8.7
85.02836	0.9
87.00726	0.9
89.02316	2.6
93.03328	2.1
95.01257	1.8
95.04925	2.0
97.02831	3.5
99.04393	2.0
101.02340	3.3
107.04879	1.3
109.02834	6.0
113.02323	1.2
121.02815	4.6
122.03604	1.0
123.04373	1.9
124.01539	0.9
125.02337	42.3
126.02663	1.5
130.04089	1.0
133.02815	0.9
133.45248	0.9
135.04388	3.5
137.02342	34.5
138.02676	0.9
139.03856	1.4
146.03629	15.2
147.04434	1.1
149.02342	1.5
150.03191	1.6
150.49425	0.7
151.03885	3.3
158.03641	1.2
159.04436	8.4
160.05237	2.4
161.02402	1.5
161.04538	0.7
161.05988	1.8
162.03142	1.1
163.00279	1.2
164.01079	9.6
164.29375	0.8
165.01849	20.5
165.03226	1.2
167.03412	11.3
171.04327	0.9
172.05212	3.7
173.06010	3.2
174.03143	9.6
174.06737	1.3
175.03876	2.8
176.04666	1.8
177.01848	4.2
177.34494	0.8
179.03415	7.5
181.43204	0.8
185.06029	2.1
186.06737	0.9
187.03952	5.2
188.04692	6.8
190.02654	1.2
192.59366	0.8
196.05124	0.8
197.06039	1.2
199.03925	1.5
199.07570	2.4
200.04761	4.6
201.05531	3.5
204.04192	2.9
209.06027	1.5
210.06808	1.1
211.04027	1.4
212.04730	5.7
213.05376	1.7
217.12210	1.0
221.06665	1.7
223.07709	1.0
224.04727	1.4
225.05553	3.6
225.12869	1.2
226.06230	1.8
227.07071	1.2
228.07828	1.7
235.07814	1.0
236.04749	1.3
237.05475	2.1
237.09161	1.2
239.07155	1.0
241.12291	1.2
243.13799	1.1
251.07111	2.6
252.07945	2.9
254.05798	1.5
255.13922	3.3
255.23274	15.1
255.71846	0.9
265.08728	1.0
268.07538	2.6
269.08167	1.3
269.11749	4.0
270.08945	2.5
270.12195	1.2
271.13376	20.8
272.13495	1.0
283.13367	1.9
285.14969	3.4
287.12900	1.9
289.14453	4.7
294.09055	4.4
294.11990	0.9
295.13449	2.5
297.15021	2.6
299.12921	7.7
300.13403	1.7
301.14362	1.8
309.15073	1.9
311.16757	2.2
313.14401	12.4
314.14725	1.3
315.15985	1.1
317.13943	3.0
320.06760	1.4
325.14462	9.8
331.15427	2.0
335.16467	2.5
337.14398	8.0
343.15540	5.4
349.18198	1.1
351.15976	1.4
353.17548	2.2
355.15552	3.0
369.16922	1.2
373.17206	1.1
377.17609	3.7
379.15356	2.4
391.19403	1.5
393.16922	1.9
395.18613	4.8
401.17563	1.8
413.19626	1.1
419.18674	10.5
420.19177	1.1
435.17706	1.4
437.19595	6.0
445.16562	1.6
463.17508	2.7
469.33160	1.7
487.34094	0.9
760.42566	1.1
817.32739	1.0
835.33051	1.3
879.32422	1.2
896.16638	1.0
926.53925	0.8
937.51483	1.7
967.52795	19.4
968.53394	3.7
979.52203	8.7
980.52008	1.2
991.52246	11.0
992.52026	1.4
997.53766	11.9
998.53931	2.8
1009.54419	1.1
1033.52356	2.1
1049.56628	1.3
1073.56909	18.0
1074.57397	4.6
1091.56750	3.8
1099.55017	8.4
1100.55798	1.8
1117.55798	100.0
1118.55969	27.7
1135.56921	74.4
1136.57178	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	1113.398
Annotation	Unknow
Peak:m/z	Relative Intensity
79.64059	0.3
80.04936	1.0
82.02863	1.1
88.44292	0.3
93.03372	0.4
94.02862	15.8
94.06520	1.5
96.04418	0.9
96.95876	2.0
98.19755	0.6
104.04948	0.6
105.05730	0.4
106.06507	1.1
107.03653	3.4
108.04435	1.1
109.02853	0.4
110.06013	0.5
120.04436	0.7
120.08074	11.1
120.08899	0.6
122.06001	18.4
124.07552	0.9
125.02345	1.7
132.04460	1.6
134.06003	4.1
135.04414	0.4
136.03951	0.6
137.02348	0.6
138.05502	6.9
139.02657	1.3
148.03926	0.6
149.04773	0.4
150.05501	1.1
152.07071	42.8
153.07420	1.2
158.02396	0.6
160.03966	0.9
161.02359	0.7
164.07129	1.1
169.01378	1.0
174.05496	0.7
174.09090	0.3
175.03940	0.6
177.01848	0.9
189.01854	0.6
190.02412	0.4
190.05037	2.6
191.05476	0.4
203.03236	0.4
210.07883	0.6
211.12276	0.7
213.13812	0.4
215.03203	0.3
215.11845	0.8
217.13318	0.4
221.10805	0.5
223.08669	3.8
223.45587	0.4
224.09521	1.3
225.10226	1.0
229.01340	0.4
235.12430	1.2
236.09544	0.8
237.10278	5.7
238.11000	1.7
239.11821	3.9
245.12939	2.8
249.06625	1.0
249.10423	1.1
250.07475	0.6
251.08122	2.0
251.11880	3.1
252.12668	0.6
253.13461	1.3
257.13046	0.5
261.12589	0.8
263.08249	2.8
263.11862	0.6
264.08990	4.6
265.09802	3.7
265.12659	0.5
266.10376	0.9
267.11426	1.3
269.12790	0.5
271.10861	1.3
275.01645	0.4
276.09033	0.9
277.09811	2.1
278.10538	2.0
279.11359	19.1
280.11920	2.9
281.12991	1.2
283.10870	0.9
285.12442	0.5
291.11340	5.0
292.12082	1.8
293.09457	0.6
293.12860	1.1
295.10864	3.0
297.12375	1.2
300.99945	1.4
303.13470	0.5
305.09277	0.7
310.09641	0.4
311.14209	0.4
312.11172	0.5
313.11887	1.1
315.01505	0.7
322.09586	1.0
323.10361	6.5
324.02765	0.5
324.11053	1.9
325.03500	0.5
325.11957	1.8
326.12674	0.5
330.03995	0.7
332.17633	0.5
334.15775	1.6
336.11179	0.9
339.09796	0.7
339.13394	0.5
341.06396	0.5
342.12424	0.6
355.12894	1.3
370.15714	0.4
372.17087	0.6
376.16476	2.5
376.20490	0.5
388.16537	1.9
389.17404	1.0
390.17917	0.5
400.20569	0.5
402.18332	6.0
403.18817	1.5
404.19662	0.7
412.16446	0.5
416.19836	1.3
417.20483	1.2
418.17322	0.8
420.15158	0.5
426.18475	0.7
427.18851	0.5
430.17737	1.5
431.18378	0.5
434.16919	0.5
435.12738	0.5
439.10541	0.8
443.18637	1.2
444.19260	7.9
445.19803	2.2
447.18158	0.5
448.18677	4.5
449.19321	0.7
452.16730	0.4
460.18808	1.0
461.19620	4.4
462.20184	1.1
470.16895	0.7
471.17902	3.9
487.08771	1.1
488.18222	6.9
489.19061	14.2
490.19421	1.3
493.09866	1.1
499.23538	0.8
520.20892	7.9
521.21832	0.7
541.24408	2.9
557.24268	0.7
583.25513	1.7
585.23431	8.0
586.23981	1.0
601.26428	1.4
617.26135	25.6
618.26483	2.6
627.24469	8.1
628.24695	1.0
645.25610	53.3
646.25952	5.5
659.27063	12.2
660.27612	1.2
677.28217	100.0
678.28571	11.3
732.35901	0.5
1084.41919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16352	2.7
55.01762	22.8
67.01762	51.5
68.02084	3.3
70.72559	3.3
70.72892	7.6
71.01242	8.4
78.95781	44.0
79.95599	4.1
83.01257	59.8
83.01730	5.4
83.04903	3.1
89.93848	3.8
95.74477	3.5
110.97459	7.3
111.00765	100.0
111.04404	10.6
115.23154	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	1107.334
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01740	0.2
79.95615	0.8
83.01257	0.5
85.02819	0.6
91.01781	0.3
93.03331	0.6
95.01257	1.0
96.95891	8.2
97.02858	0.2
101.02319	0.6
107.01266	2.7
108.02058	0.7
109.02822	0.7
111.00765	0.8
113.02338	0.5
121.02831	1.2
123.00763	5.0
124.01565	0.3
125.01450	0.4
125.02339	7.9
127.00282	0.4
135.00755	0.4
136.98705	0.4
137.02306	1.2
138.36954	0.2
139.00293	1.7
140.01045	1.3
141.01833	0.9
148.01532	0.4
149.02257	0.6
151.00273	9.2
151.03903	0.3
152.00941	0.2
153.01823	0.5
159.04437	0.4
161.02361	0.4
163.00244	1.2
163.03905	0.3
164.01071	0.7
165.01799	0.4
168.00519	1.5
169.01346	9.0
177.01894	0.4
178.99800	2.2
179.03462	0.3
183.04477	0.4
189.01740	0.3
190.02731	0.3
190.99802	0.7
192.00496	0.4
201.01721	0.3
203.03394	0.4
205.05051	0.4
211.02365	0.9
211.04100	0.5
214.27286	0.3
215.03471	0.7
216.04301	0.4
217.05055	0.2
222.03119	0.3
226.02660	0.8
227.03429	1.9
240.04202	0.4
243.00487	0.5
243.02934	6.4
244.03477	0.6
245.04536	0.4
250.02660	0.3
254.02225	1.2
255.02966	15.8
256.03445	1.1
271.02451	32.4
272.02917	3.0
273.03983	0.5
278.02072	0.6
279.02695	0.4
283.02423	0.4
289.07269	0.3
299.01968	1.3
300.02731	62.3
301.00073	0.9
301.03421	18.3
302.00757	0.3
302.03903	1.0
307.02448	0.5
307.05731	0.3
313.05658	0.7
324.02710	3.9
325.03421	2.4
326.03925	0.3
335.05649	0.6
343.04507	0.4
439.10660	4.5
440.10757	0.4
463.08795	7.6
464.09427	0.3
487.08820	4.0
488.09149	0.5
523.21814	65.1
524.14288	0.4
524.22131	7.4
533.28815	0.4
583.10907	100.0
584.11292	12.2
619.15527	0.8
639.71985	0.2
737.83667	0.2
793.21411	0.3
1107.34204	0.3
1115.58521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.6
95.01243	0.2
98.20538	0.4
107.01274	3.0
108.02048	0.4
109.02809	0.7
112.82035	0.2
113.02269	0.3
114.46301	0.2
119.01233	0.3
121.02856	1.6
123.00756	0.7
124.57965	0.2
125.01479	0.3
125.02342	4.4
139.00208	0.3
148.01540	0.6
149.02332	0.3
151.00272	9.9
152.00529	0.3
163.00336	1.5
164.01028	0.6
168.99965	0.4
169.01332	6.4
178.99760	4.8
183.04543	0.3
187.03880	0.5
190.99785	0.5
192.00531	0.4
193.01282	0.3
199.03792	0.3
203.03358	0.3
211.02292	0.4
211.04102	0.5
216.04140	0.5
226.02638	0.6
227.03481	1.1
229.04994	0.9
233.48827	0.3
239.03397	0.3
241.03604	0.3
243.02951	3.7
244.03555	0.4
245.04471	1.2
254.02133	0.9
255.02963	10.8
256.03381	0.8
271.02444	20.5
272.02957	2.0
273.03986	0.7
283.02435	1.3
284.02786	0.3
299.01883	0.9
300.02716	50.9
300.99893	5.0
301.03442	39.2
302.03809	2.3
313.05670	1.8
343.04443	0.5
453.24445	0.3
463.09015	12.1
464.09128	1.0
477.06693	8.3
478.07248	0.9
615.09894	100.0
616.10229	12.1
773.82935	0.3
808.49506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
88.51846	0.4
90.42438	0.3
95.01255	1.4
117.03345	1.3
119.04938	0.6
123.00748	2.3
125.02329	2.4
129.03362	0.8
132.02025	0.4
133.02850	1.4
135.04404	0.7
141.94287	0.3
145.02840	3.8
147.04376	1.9
149.02335	0.6
157.02856	1.9
159.04416	0.9
161.02357	2.2
163.03885	1.9
164.01001	0.4
165.01828	1.0
166.99733	0.9
168.00571	0.4
169.01332	1.3
171.00819	1.2
172.01534	1.4
173.02345	4.5
174.03081	0.7
175.03966	1.8
176.00996	0.4
177.01840	1.0
179.03477	0.4
185.02370	3.6
187.00307	0.6
187.03918	0.6
188.01031	0.4
189.01868	2.7
190.02644	2.0
191.03416	2.2
192.00656	0.4
199.00278	1.6
200.01048	2.1
201.01848	6.0
202.02528	0.7
202.99646	0.4
203.03381	3.2
205.01337	0.5
213.01888	1.5
214.99878	0.9
216.00606	1.2
217.01320	3.1
218.02068	1.0
219.02901	0.7
226.99681	2.0
228.00610	1.7
229.01384	11.6
230.02013	1.4
231.02895	2.8
242.99310	1.3
243.02956	0.5
244.00084	1.2
245.00842	6.3
246.01520	0.7
247.02422	3.3
248.03226	0.7
249.03995	2.7
254.99374	0.8
255.02905	0.5
256.00150	0.8
257.00851	8.6
258.01584	2.0
259.02359	0.6
267.03561	0.4
270.98889	3.2
271.02005	0.6
271.99463	1.3
273.00381	3.8
274.01135	4.7
275.01962	16.1
276.02258	1.0
282.98926	0.5
283.02335	0.4
283.99579	6.1
285.00320	2.0
291.01199	0.6
298.98352	4.4
299.99100	19.1
300.99869	100.0
302.00214	7.0
315.05045	1.0
316.05313	0.4
425.01471	2.0
437.01419	0.4
445.03708	0.8
463.05429	0.6
587.07471	0.6
603.06122	0.4
605.07788	0.7
613.04626	5.7
614.04858	1.8
631.06018	2.0
632.06610	6.4
633.07251	14.2
634.07465	1.7
650.02985	0.5
744.59283	0.4
757.08905	6.3
758.08948	0.8
765.05817	0.7
774.09009	0.4
897.04456	3.8
898.04950	1.0
907.08350	1.1
915.05127	3.0
916.06329	1.5
933.06836	0.9
934.07312	5.2
935.07831	20.1
936.08099	3.4
1059.09460	8.2
1060.09644	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	1089.7392
Annotation	Unknow
Peak:m/z	Relative Intensity
75.57856	0.1
80.96407	0.2
86.77181	0.1
88.98697	0.2
94.03719	0.1
105.01820	0.2
109.15957	0.1
117.03345	9.6
118.03661	0.3
119.04910	2.6
121.02867	0.6
145.02850	34.4
146.03198	0.8
162.03139	0.3
163.03949	0.9
252.22884	0.1
386.97870	0.1
453.33755	1.8
454.33527	0.2
471.34744	2.4
472.34845	0.2
474.68149	0.1
497.32632	0.7
498.32785	0.1
617.38422	100.0
618.38739	15.1
972.61407	0.1
1012.81818	0.1
1089.48633	0.4
1090.50525	0.2
1105.29077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	5.8
50.63121	0.3
58.02849	11.7
59.03173	0.2
64.01791	1.2
65.01318	4.0
65.03844	0.6
65.99725	0.8
66.00851	1.0
66.01646	0.8
66.03358	2.8
67.00062	0.3
67.02884	100.0
68.01285	5.0
68.02429	1.1
68.03215	3.1
73.74450	0.3
79.02892	1.4
81.03335	1.1
81.04448	0.8
81.99197	0.4
82.02856	19.2
83.03209	0.7
91.01786	0.9
98.19861	0.7
108.02050	7.5
109.02849	42.5
109.03966	25.6
110.02368	2.2
110.03231	2.3
110.04323	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	1087.22
Annotation	Unknow
Peak:m/z	Relative Intensity
78.23477	0.1
83.01258	1.8
85.02827	1.3
87.00778	0.2
89.02309	0.1
91.01777	0.3
93.03339	0.9
95.01263	0.4
99.00726	0.6
103.00250	0.5
107.01267	6.4
108.02090	0.2
108.99277	0.1
109.02835	3.2
113.02329	1.1
115.00291	0.2
117.01817	0.1
119.01282	0.6
121.02840	6.1
122.03148	0.2
123.00800	0.1
124.01540	0.2
125.02304	0.3
130.87927	0.1
135.00784	0.6
137.02330	0.2
139.03922	0.5
141.13426	0.1
143.05005	0.2
147.04430	0.2
148.01584	0.3
149.02371	0.9
151.00272	29.5
152.00577	0.6
155.04869	0.1
159.04414	0.5
161.02379	0.3
161.05959	0.2
163.00279	3.9
163.01659	0.2
163.03960	0.3
164.01102	0.6
164.90019	0.1
165.01866	0.3
167.04933	0.4
169.01331	1.7
171.04431	0.3
173.06006	0.3
174.03168	0.1
175.00027	0.1
175.02405	0.5
175.03906	0.6
178.99779	15.3
180.00142	0.5
181.63771	0.1
182.03630	0.1
183.04451	0.8
185.02399	0.2
185.06007	0.4
187.03908	0.9
187.08536	0.1
189.01927	0.2
189.05499	0.2
190.99808	0.5
192.00551	0.3
193.01344	0.6
198.03123	0.1
199.03947	0.4
201.05495	1.1
203.03448	0.4
205.04967	0.3
211.03943	1.9
212.04701	0.2
213.01866	0.3
213.05475	0.2
214.02698	0.5
215.03485	0.5
216.04378	0.2
217.05009	0.3
226.02742	0.2
227.03473	2.1
228.04179	0.4
229.05042	1.9
230.05527	0.2
231.02901	0.2
239.03445	0.9
240.04176	0.3
243.02992	1.2
245.04503	3.3
254.02185	0.2
255.02963	6.3
256.03543	0.7
257.04507	0.8
265.01566	0.2
266.02173	0.4
271.02484	4.9
272.03021	0.5
273.04041	3.1
274.04626	0.1
283.02478	3.3
284.03079	0.3
299.01990	0.3
299.99802	0.2
300.02734	9.7
301.03510	100.0
302.03867	5.7
302.06717	0.1
365.26361	0.1
477.06720	44.6
478.00110	0.1
478.02032	0.1
478.07031	3.8
609.14612	6.8
610.14819	0.9
652.79144	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	1071.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01262	0.2
89.00202	1.0
91.01759	0.9
93.03323	1.9
96.99887	0.1
97.02826	3.3
107.01264	0.4
109.02824	1.4
121.02841	14.2
122.03165	0.3
124.01549	0.3
125.02342	0.4
127.31097	0.1
137.02357	0.2
139.03859	0.6
147.00836	0.1
148.01567	0.3
149.02351	1.1
149.99480	1.6
151.00267	1.3
151.03877	0.1
161.02339	0.3
163.00272	0.7
164.00987	0.3
165.01840	38.6
166.02179	1.4
175.00368	0.1
176.59521	0.1
177.01913	0.1
178.02641	0.2
179.03380	0.2
183.02945	0.5
183.04276	0.1
190.99866	0.1
192.00549	0.4
193.01344	5.6
194.01648	0.2
198.03146	0.1
199.04039	0.1
201.63451	0.1
207.02948	0.8
214.02495	0.1
216.04147	0.3
226.02675	0.6
227.03380	0.6
228.04248	0.9
229.01491	0.1
239.03337	0.1
242.02086	0.1
243.02936	1.4
243.06609	0.2
244.03697	0.7
253.99622	0.1
254.02112	0.9
255.02927	1.1
256.03766	0.9
257.04404	0.2
259.06082	1.0
269.04532	0.4
271.02481	5.1
271.05542	0.3
272.03256	1.5
283.02527	0.2
285.04187	0.2
287.05606	1.9
288.88583	0.1
297.04019	0.2
299.01926	0.3
300.02731	9.3
300.99985	0.2
301.03146	0.6
313.03494	0.6
314.04080	0.2
315.05090	100.0
316.05402	6.3
317.05402	0.2
318.79977	0.1
395.00754	32.1
396.01065	2.0
463.72205	0.1
643.23669	0.4
675.26782	0.3
755.22479	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	1071.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
80.09167	0.2
96.95878	2.0
117.03258	0.2
125.02332	1.0
151.00305	0.3
161.02324	0.7
169.01364	0.3
176.01033	0.2
178.99706	0.2
183.04427	0.9
191.77022	0.2
195.04324	0.2
196.05177	0.6
197.05989	0.5
199.03868	0.2
207.04460	0.3
209.05978	0.7
211.03929	0.9
212.04707	0.6
222.03174	6.5
223.03795	0.4
224.04729	0.7
225.05534	1.6
227.03427	0.4
235.04007	1.2
237.05473	0.7
239.03462	1.6
240.04276	2.6
241.04701	0.3
250.02678	9.4
251.03311	1.9
252.04288	1.2
253.05016	3.1
254.05333	0.4
255.03076	0.3
263.03439	1.5
264.04041	0.3
267.02945	0.8
268.03784	1.4
269.04468	0.4
271.02423	0.6
278.02185	14.3
279.02911	5.8
280.03683	1.5
281.04568	1.9
295.02353	1.5
296.03152	1.9
297.03946	0.5
300.02682	1.0
301.00027	0.3
301.03345	0.4
306.01660	1.3
307.02466	14.8
308.02982	1.6
323.01898	2.1
324.02725	90.3
325.03467	57.3
326.03857	4.7
335.01895	0.8
367.04739	0.3
439.10559	0.9
454.72943	0.3
486.08078	0.5
487.08795	100.0
488.09158	10.5
488.16238	0.5
523.21735	0.9
583.11200	1.2
584.10736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
91.98631	1.0
95.01268	6.5
98.19729	2.2
102.52015	0.9
103.75352	1.1
107.01289	1.4
117.03351	1.6
119.04906	1.4
121.02857	1.4
123.00764	11.2
124.01541	3.0
125.02345	17.1
131.04906	2.6
135.04440	1.1
137.02351	1.4
145.02824	4.6
147.04425	4.9
149.02304	2.2
151.03979	1.5
157.02780	1.4
158.03586	2.0
159.04451	6.2
161.02379	3.5
163.00264	1.2
163.03944	3.3
164.01086	3.0
165.01807	1.8
169.01332	4.0
172.69888	1.0
173.02328	3.6
174.03130	2.3
175.03893	10.9
177.01831	5.9
177.05536	1.3
185.02406	2.1
187.03905	5.2
189.01857	2.9
190.02643	1.5
191.03412	4.3
199.03969	1.3
200.01041	1.4
201.01903	5.3
202.02591	1.4
203.03424	26.3
207.02779	1.2
209.05954	1.2
211.04054	1.1
213.01816	3.2
214.02661	3.7
215.03482	2.5
217.01349	3.0
217.04832	1.3
218.02066	1.2
221.04480	4.3
227.03450	3.9
228.00595	1.3
229.01338	12.3
230.02089	4.3
231.02948	40.7
232.03288	2.2
240.04062	1.3
241.04747	1.0
242.02231	2.5
243.03008	2.9
244.00105	1.6
244.03542	1.6
245.00864	7.7
246.01579	1.5
247.02377	3.8
248.03194	4.3
249.03983	100.0
250.04369	5.9
253.04863	1.5
255.02960	2.2
256.03647	1.4
257.00894	8.0
258.01608	11.1
259.02399	4.8
265.04977	2.0
267.02957	1.2
268.03543	1.6
269.00793	1.5
269.04547	1.2
270.01633	2.1
271.02417	3.5
273.00403	12.0
273.03799	2.7
274.01178	21.2
275.01923	36.9
276.02209	1.9
277.05090	2.9
278.05603	1.8
279.06607	1.9
281.04599	1.7
283.02460	3.7
283.99625	6.9
284.02783	1.9
285.00427	1.5
285.03931	3.8
286.01318	5.2
287.02020	11.8
288.02713	11.5
289.03537	1.1
291.01337	7.0
294.05191	1.3
295.02649	2.0
295.05994	2.4
297.00427	2.5
297.03760	2.0
298.01291	5.2
299.01950	8.1
299.99078	3.1
300.02560	3.2
300.99835	23.9
301.03464	11.1
302.04053	1.7
304.03958	1.5
305.04517	3.3
307.06018	2.1
309.03976	2.6
311.01770	3.1
311.05301	1.3
311.99213	2.1
312.02734	3.9
312.99838	5.5
313.03604	3.0
314.00659	33.2
315.01456	8.4
317.03046	1.7
319.01730	1.4
321.04031	5.3
322.04468	1.9
323.01999	1.4
323.05496	3.9
324.02698	1.4
324.99948	2.5
325.03403	3.2
326.00574	4.1
327.01437	34.9
328.02072	8.4
329.03055	7.7
333.04080	2.5
334.04941	1.5
335.05490	2.2
337.03162	2.0
338.04306	1.6
339.05002	1.8
340.02164	4.2
341.02936	9.1
342.03796	1.3
343.00766	2.2
345.02383	1.7
348.02597	2.2
349.03506	11.3
350.04395	6.5
351.01395	1.0
351.05118	13.0
352.05759	2.5
353.02820	2.4
353.06659	8.1
357.02344	1.3
365.02841	2.1
366.03754	2.3
367.04523	5.9
369.06308	1.7
371.04044	2.9
377.03006	68.0
378.03714	26.3
379.04541	20.5
380.04944	1.7
381.06061	3.0
383.03961	2.1
385.05511	2.9
389.04742	1.5
394.03244	3.7
395.04056	18.9
396.04462	3.0
397.05688	2.2
398.58725	1.2
407.04199	2.6
408.36459	1.2
411.03073	1.7
413.05032	5.1
425.05417	1.7
431.06149	2.6
443.06271	2.2
449.07260	3.6
453.07788	1.3
461.07217	2.6
479.07001	1.2
497.07239	4.0
515.08167	2.1
516.09692	1.2
533.09308	2.3
551.10168	1.7
583.07739	2.2
601.08093	5.1
631.09973	6.6
685.10315	1.5
687.06689	1.5
689.07520	1.7
703.10651	1.8
721.12256	7.4
722.12067	1.8
728.03210	1.2
733.07037	1.6
835.09729	1.3
859.09497	3.7
885.07837	14.6
886.08063	3.4
902.07867	1.2
903.09119	9.6
904.09637	2.0
915.08459	3.0
927.09015	3.1
933.10034	25.0
934.10059	4.4
945.10077	1.5
963.11829	2.0
1005.11749	5.9
1023.13232	33.4
1024.13013	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	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.1
61.87654	3.4
64.01771	5.3
65.01302	7.8
65.99711	10.8
69.21047	40.6
72.99184	78.2
75.00751	29.5
91.69014	3.4
97.69854	3.5
98.20611	7.9
105.01814	100.0
105.04442	14.4
106.03989	62.4
118.71351	3.3
120.69569	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	1055.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95606	25.5
80.95582	0.1
80.96416	0.1
95.95112	0.5
96.95887	86.4
97.95829	0.2
98.95518	0.1
108.02058	0.1
109.02807	0.3
109.96632	0.1
110.97462	1.5
123.04467	0.1
124.95397	0.1
125.02338	0.2
136.99048	0.2
138.25229	0.0
141.95679	2.7
151.00288	0.1
152.69429	0.0
159.04404	0.1
167.00064	0.5
169.01353	0.1
173.06012	0.1
177.01846	0.0
178.99770	0.1
189.05527	0.1
190.06264	0.2
191.07106	0.1
241.05019	0.2
255.02959	0.2
255.06610	0.2
267.06494	0.1
269.08102	0.1
271.02344	0.3
281.08279	0.0
283.09717	0.1
295.09613	0.1
298.08173	0.1
299.09103	0.2
300.02771	0.6
301.00180	0.1
301.03522	0.3
313.10745	0.8
314.11368	0.1
315.05359	0.1
316.06305	0.2
329.10257	0.3
343.11951	0.1
344.12558	0.6
345.04828	0.1
348.05188	0.1
359.14944	0.9
360.15289	0.1
393.06055	0.2
424.08298	1.4
425.08673	0.1
438.09595	0.1
439.10632	100.0
440.10962	7.8
441.10742	0.1
463.08633	0.2
615.09882	1.6
616.10040	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	1060.533
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95587	33.0
80.96398	43.1
84.54726	30.2
84.87148	34.3
87.75341	39.2
97.38717	32.1
98.19785	100.0
100.40095	35.5
148.28519	37.4
153.70718	36.0
177.27052	37.3
191.05447	36.4
229.25841	38.2
293.21136	74.5
301.00018	47.9
309.20273	44.5
356.84293	38.9
457.17404	53.4
471.34796	41.0
802.95325	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
78.91748	38.8
104.44489	30.8
139.06287	23.3
196.78676	28.9
256.39056	27.0
322.11191	26.4
471.34537	100.0
472.35117	76.1
473.34824	40.9
478.19504	27.6
507.41104	29.0
526.20520	25.7
672.85083	30.1
840.95978	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
93.87773	84.3
116.92756	97.3
121.02866	94.4
158.50616	85.5
185.30968	93.4
186.76788	82.1
291.19559	86.8
295.22787	100.0
311.89267	83.9
327.91287	84.2
394.42892	99.8
844.83673	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.7128
Annotation	Unknow
Peak:m/z	Relative Intensity
81.90755	0.1
90.03371	0.1
95.04901	0.2
183.01137	0.5
187.10742	0.1
208.11551	0.1
209.11765	1.1
227.12804	0.2
229.71901	0.2
293.21210	0.5
299.45367	0.1
311.16824	1.6
312.17313	0.2
383.73276	0.1
405.31552	0.7
469.33179	100.0
470.33524	13.5
554.30725	0.1
555.30865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.553
Annotation	Unknow
Peak:m/z	Relative Intensity
73.28786	31.1
90.05316	42.3
95.47351	33.4
96.95873	98.6
189.67368	34.2
191.05528	41.8
246.88252	32.3
249.07062	33.2
471.34866	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	1046.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
89.04377	38.1
91.01258	33.1
138.49680	36.8
293.21155	42.6
310.20935	43.8
397.99658	39.1
415.14447	48.0
454.71008	39.9
471.34991	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	1041.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02812	1.4
78.95766	2.2
81.03349	2.0
83.01273	2.0
83.66090	0.9
85.02813	4.3
87.00752	3.7
89.02325	11.2
92.48435	1.0
95.01298	1.4
97.02825	2.4
97.06470	2.9
101.02322	10.7
109.02599	1.0
109.06438	1.2
113.02350	6.1
119.03366	1.7
121.02863	1.2
123.04398	1.7
123.08004	1.5
125.02329	4.0
125.09599	3.7
125.63448	1.0
131.03377	1.2
143.03421	1.8
158.19836	1.1
161.04454	4.2
163.11180	4.1
164.44727	1.0
179.05495	4.5
185.11708	3.4
191.14319	2.2
195.13861	9.0
203.14461	1.3
207.10269	2.3
209.11739	9.2
211.13380	2.4
212.89954	1.1
218.90118	1.1
221.06584	1.2
221.12003	1.1
223.13342	3.5
225.11246	1.3
235.08200	4.0
237.11250	1.2
245.19054	9.0
253.09361	1.1
256.13159	1.7
263.20093	2.4
271.17020	1.5
275.20200	6.8
289.18079	39.1
290.18472	3.0
293.21216	100.0
294.21469	6.1
295.22815	2.7
305.08725	1.8
305.17355	1.4
306.07648	1.1
307.19128	40.1
308.19370	3.3
309.20935	1.1
353.18408	1.1
379.12421	3.7
397.13538	33.1
398.13821	2.7
415.14575	15.1
687.32373	2.4
691.35583	3.1
705.33545	2.9
981.54523	4.8
982.54883	2.3
1041.52136	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	1043.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95780	4.8
85.02835	5.0
89.02318	14.2
92.10607	3.1
97.02811	3.8
101.02306	10.1
111.08034	6.9
113.02319	8.9
119.03400	4.5
125.02296	7.7
158.44530	3.3
161.04608	4.6
179.05602	3.9
195.13902	4.8
197.11787	36.9
209.11879	3.0
211.13289	9.7
211.86411	3.1
235.08269	4.5
263.20178	3.6
275.19955	5.1
291.19623	18.0
293.21207	100.0
294.21585	6.3
309.20697	87.8
310.21078	9.0
318.40207	3.3
397.13461	38.0
415.14514	23.1
471.34576	5.7
585.41595	5.0
689.33679	5.3
691.35229	5.5
707.34943	9.2
1023.79346	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	1041.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
82.25308	0.1
89.00203	0.9
91.01746	0.6
93.03336	1.3
97.02820	2.5
107.01276	0.4
108.02036	0.2
109.02851	1.4
120.92220	0.1
121.02840	11.4
122.03096	0.3
124.01560	0.2
125.02338	0.5
136.96649	0.1
137.02295	0.2
139.03902	0.6
147.00839	0.1
148.01605	0.3
149.02359	0.8
149.99477	1.3
151.00288	1.0
161.02339	0.2
163.00272	0.8
165.01839	33.4
166.02171	1.1
177.01889	0.2
178.02673	0.2
183.02901	0.5
187.04097	0.1
189.74178	0.2
190.99765	0.2
192.00632	0.3
193.01341	5.5
194.01572	0.2
200.04626	0.2
207.02927	0.7
211.03862	0.2
215.03590	0.1
216.04239	0.2
226.02687	0.6
227.03333	0.4
228.04247	1.0
239.03476	0.2
241.04999	0.2
243.02910	1.3
244.03696	0.7
254.02156	0.8
255.02864	1.0
256.03735	0.8
257.04233	0.2
259.06024	0.7
269.04526	0.4
271.02466	5.3
271.05569	0.3
272.03204	1.2
283.02591	0.2
285.04007	0.2
287.05576	2.0
289.07150	0.2
297.04147	0.3
299.01898	0.2
300.02728	8.9
300.99985	0.2
301.02979	0.6
313.03436	0.7
314.04187	0.2
315.05084	100.0
316.05396	5.7
331.04520	0.5
395.00745	33.9
396.01068	2.4
411.00180	0.2
437.97437	0.1
491.08234	1.4
564.92914	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	1037.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
72.49763	0.6
72.75771	0.6
73.02814	1.0
78.98462	4.5
79.95606	23.6
80.96390	65.0
81.03323	0.8
83.01258	0.9
85.02814	1.7
87.00737	2.3
94.97957	13.7
96.95875	1.7
97.02821	1.9
101.02301	2.5
106.97956	2.5
122.97459	2.6
125.02314	3.4
127.03900	0.6
134.97453	6.8
136.99011	1.6
137.02339	1.0
146.03589	1.0
148.99080	4.7
152.98535	5.9
154.37074	0.6
164.98531	13.2
165.01688	0.6
174.03157	0.9
206.99635	4.1
221.45323	0.6
225.00690	29.2
255.23325	1.3
271.13541	0.9
283.04956	2.2
291.49808	0.7
341.05508	1.0
411.13150	0.9
450.12149	0.6
537.26971	1.8
546.81647	0.7
609.29462	1.0
623.31500	0.8
643.20490	1.3
679.36932	1.6
712.16577	0.6
719.39526	0.8
765.66656	0.8
827.42694	2.4
899.44489	13.3
900.45502	1.8
988.30664	0.8
1037.47827	100.0
1038.48157	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	1041.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01262	0.2
89.00187	0.9
91.01776	0.6
93.03337	2.0
94.33047	0.1
97.02819	3.2
97.79936	0.1
107.01258	0.4
108.02053	0.2
109.02822	1.9
121.02833	14.3
122.03159	0.3
123.04349	0.1
124.01569	0.2
125.02325	0.6
132.99336	0.1
133.02867	0.1
135.04300	0.2
137.02350	0.2
139.02982	0.1
139.03859	0.6
147.00766	0.2
148.01630	0.1
149.02338	1.2
149.99487	1.9
151.00284	1.1
161.02325	0.4
162.03152	0.1
163.00262	1.0
164.01018	0.3
165.01831	39.8
166.02162	1.2
169.01370	0.3
174.03186	0.2
175.03894	0.4
177.01865	0.2
178.02530	0.2
179.03288	0.3
183.02895	0.7
187.03777	0.2
189.01814	0.1
192.00584	0.5
192.55630	0.1
193.01346	5.6
194.01624	0.2
199.03970	0.2
200.04727	0.3
205.04970	0.1
206.02333	0.1
207.02965	0.9
215.03336	0.2
216.04012	0.2
226.02615	0.6
226.44604	0.1
227.03342	0.7
228.04256	1.1
239.03502	0.2
241.05144	0.2
242.02104	0.2
243.02895	1.5
243.06624	0.2
244.03615	0.5
254.02133	1.3
255.02931	1.4
256.03784	0.7
259.06039	1.0
269.04568	0.5
271.02460	6.1
271.05585	0.3
272.03156	1.4
283.02496	0.3
285.04132	0.2
287.05582	1.9
288.05798	0.1
289.07001	0.1
297.04123	0.3
299.01703	0.2
300.02719	9.9
301.00049	0.2
301.03110	0.6
313.03568	0.5
314.04221	0.2
315.05069	100.0
316.05374	6.1
395.00729	31.1
396.00983	2.1
1047.60437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51138	0.6
71.51545	0.7
102.11028	0.5
107.01279	1.5
123.00824	0.9
125.02337	8.3
145.02701	0.6
151.00203	1.0
161.02283	0.6
169.01338	8.9
173.02374	0.9
174.03076	0.6
185.02380	1.2
201.01898	1.5
216.00546	0.6
229.01346	2.9
242.99403	0.5
243.99904	0.5
257.00879	1.7
270.98724	0.6
271.02454	0.9
283.04599	2.5
283.99631	1.6
298.98541	1.1
299.01920	0.6
299.99155	17.7
300.02625	1.6
300.99893	100.0
302.00247	7.4
415.03238	3.4
433.04169	1.7
447.09140	3.0
448.09979	0.5
489.10867	0.6
585.05219	94.9
586.05536	12.4
586.14624	0.8
668.30719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
74.04218	0.1
74.20985	0.1
83.01255	0.2
89.00197	0.9
91.01777	0.7
93.03328	1.7
95.01286	0.1
96.95937	0.2
97.02824	3.3
104.45450	0.1
107.01266	0.4
108.02084	0.2
109.02824	1.7
121.02837	14.5
122.03160	0.6
123.00796	0.1
124.01555	0.4
125.02329	0.4
129.23477	0.1
133.02806	0.2
135.00691	0.1
137.02313	0.1
139.03925	0.7
147.00890	0.3
147.06973	0.1
148.01613	0.3
149.02319	1.2
149.99480	1.5
151.00293	1.1
152.00995	0.1
161.02321	0.3
162.85907	0.1
163.00247	0.7
164.01030	0.3
165.01833	40.5
165.60605	0.1
166.02176	1.3
169.01352	0.3
174.03017	0.1
175.00362	0.1
175.03822	0.1
178.02600	0.2
179.03349	0.1
183.02977	0.5
183.04338	0.2
190.99727	0.1
192.00531	0.5
193.01347	6.0
194.01700	0.3
200.04628	0.1
203.03371	0.2
206.02083	0.1
207.02940	0.9
210.03349	0.2
211.04076	0.1
214.02638	0.1
216.04257	0.3
226.02679	0.9
227.03329	0.6
228.04239	1.2
229.04767	0.1
239.03531	0.2
241.05057	0.1
242.02168	0.2
243.02902	1.5
243.06647	0.2
244.03589	0.8
254.02132	1.2
255.02893	1.3
256.03622	0.9
259.06079	1.0
269.04593	0.6
271.02448	5.7
272.03128	1.5
282.01602	0.1
283.02444	0.3
285.03946	0.2
287.05600	1.9
288.06018	0.1
293.04266	0.2
297.04218	0.2
298.01404	0.1
299.02069	0.3
300.02716	9.4
300.99701	0.3
301.03149	0.8
313.03574	0.6
314.04108	0.2
315.05075	100.0
316.05383	7.6
331.04349	0.1
337.07172	0.2
395.00739	25.3
396.01068	2.0
397.01224	0.1
559.32977	0.1
587.10486	0.1
749.12616	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	1026.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
86.49178	52.5
87.98868	50.4
98.20661	91.6
137.96501	53.9
151.41423	52.2
153.36009	46.5
163.49356	47.3
213.84689	61.6
303.37161	57.9
309.20654	100.0
395.32510	53.6
555.06732	50.0
732.58331	58.9
1016.65186	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02811	1.3
83.01235	1.4
85.02834	2.9
87.00697	2.5
89.02316	7.9
99.57944	1.2
101.02329	7.0
113.02308	4.4
113.09581	2.0
116.92714	1.6
119.03362	2.5
125.02325	3.3
143.03360	1.9
161.04485	1.6
179.05530	2.9
179.14246	1.8
195.13843	18.4
209.11739	2.3
211.13136	1.1
221.06595	1.6
223.13298	4.1
235.08080	1.9
275.20163	4.8
277.21683	11.4
287.07687	1.3
289.18127	1.5
293.21210	85.9
294.21362	5.5
295.22757	100.0
296.23053	7.9
351.93564	1.1
379.12558	1.9
397.13483	28.2
398.13666	1.3
415.14551	18.1
571.43622	4.7
673.34613	2.2
675.35718	2.0
691.35040	5.7
693.36407	3.1
937.21820	1.1
943.20782	1.1
969.56982	1.3
1029.47522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
77.66756	10.7
89.02296	14.7
98.87658	9.9
121.02822	12.6
199.65936	11.1
209.04295	12.6
247.34676	10.0
293.21133	100.0
294.21451	68.7
295.21741	38.6
367.09000	12.1
397.13403	11.5
534.78735	11.6
855.05023	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	1032.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50348	58.5
81.26930	44.4
84.53894	47.4
87.49754	42.6
116.49916	43.1
153.92241	41.4
209.11732	86.1
293.21188	100.0
294.21545	69.5
295.22562	57.2
316.56058	48.9
539.24243	51.9
764.78748	52.5
1059.02954	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01274	0.2
89.00189	1.0
91.01772	0.9
93.03329	1.5
97.02824	2.6
98.19754	0.2
107.01270	0.4
108.02103	0.1
109.02826	1.6
114.83795	0.1
121.02843	13.7
122.03185	0.3
124.01544	0.3
125.02340	0.4
137.02409	0.2
139.03857	0.6
148.01530	0.2
149.02365	1.2
149.99507	1.5
151.00276	1.4
161.02339	0.4
163.00240	0.9
164.01022	0.1
165.01840	37.5
166.02176	1.3
169.01358	0.3
170.97316	0.1
174.03082	0.2
175.03920	0.1
177.01872	0.1
178.02609	0.2
179.03442	0.3
183.02905	0.6
183.04326	0.2
187.03900	0.2
190.99736	0.2
191.05568	0.3
192.00549	0.5
193.01350	5.4
194.01691	0.3
199.03911	0.1
200.04698	0.2
207.02919	0.8
211.03981	0.2
215.03511	0.1
216.04173	0.2
226.02618	0.5
227.03368	0.6
228.04231	0.9
239.03339	0.1
241.05145	0.2
243.02919	1.5
244.03645	0.6
253.05350	0.1
254.02222	1.0
255.02928	1.4
256.03757	0.7
259.06088	0.9
269.04593	0.4
270.01743	0.1
271.02460	6.0
271.05518	0.3
272.03171	1.3
282.01791	0.1
285.04355	0.2
287.05545	1.8
288.05981	0.1
289.07214	0.1
297.03949	0.3
298.04660	0.1
299.01807	0.1
300.02734	9.6
300.99869	0.3
301.03217	0.6
313.03638	0.6
314.04218	0.3
315.05090	100.0
316.05405	6.2
317.05658	0.3
321.18732	0.1
331.04489	0.1
334.04578	0.1
395.00754	29.6
396.01031	1.9
397.00940	0.2
491.08020	0.5
492.08731	0.2
507.07495	0.1
508.08301	0.2
671.15302	0.2
833.18799	0.3
961.71997	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	1023.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45467	0.1
71.51224	0.2
79.95600	7.9
80.96401	0.1
95.95121	0.1
96.95883	100.0
97.95827	0.4
109.02822	0.2
110.97446	0.5
121.02838	0.5
125.02317	0.3
127.03197	0.1
135.04382	0.1
136.01535	0.1
137.02313	0.6
149.02382	0.1
150.03149	0.2
151.03926	0.3
157.66501	0.1
163.03906	0.1
169.01312	0.2
191.05511	0.2
230.99675	0.2
240.04242	0.1
245.01253	0.1
258.87958	0.1
269.08197	1.9
270.08682	0.1
271.02444	0.2
271.09601	0.1
278.02222	0.2
281.08191	0.4
283.09827	0.2
299.09210	1.3
300.02600	0.2
300.09912	0.3
300.99933	0.2
301.03464	0.2
307.02496	0.3
314.11566	1.8
315.12207	0.4
324.02725	1.3
325.03497	0.8
326.03592	0.1
329.06656	0.3
329.13953	0.4
359.15106	0.1
386.01770	0.1
424.08279	0.4
429.48959	0.1
438.36902	0.1
439.10629	64.1
440.10992	5.1
450.93179	0.1
463.08612	0.1
487.08636	0.9
488.09451	0.3
489.09171	0.2
523.22125	0.5
583.10815	0.2
747.21466	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	1025.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01274	0.2
89.00189	1.0
91.01772	0.9
93.03329	1.5
97.02824	2.6
98.19754	0.2
107.01270	0.4
108.02103	0.1
109.02826	1.6
114.83795	0.1
121.02843	13.7
122.03185	0.3
124.01544	0.3
125.02340	0.4
137.02409	0.2
139.03857	0.6
148.01530	0.2
149.02365	1.2
149.99507	1.5
151.00276	1.4
161.02339	0.4
163.00240	0.9
164.01022	0.1
165.01840	37.5
166.02176	1.3
169.01358	0.3
170.97316	0.1
174.03082	0.2
175.03920	0.1
177.01872	0.1
178.02609	0.2
179.03442	0.3
183.02905	0.6
183.04326	0.2
187.03900	0.2
190.99736	0.2
191.05568	0.3
192.00549	0.5
193.01350	5.4
194.01691	0.3
199.03911	0.1
200.04698	0.2
207.02919	0.8
211.03981	0.2
215.03511	0.1
216.04173	0.2
226.02618	0.5
227.03368	0.6
228.04231	0.9
239.03339	0.1
241.05145	0.2
243.02919	1.5
244.03645	0.6
253.05350	0.1
254.02222	1.0
255.02928	1.4
256.03757	0.7
259.06088	0.9
269.04593	0.4
270.01743	0.1
271.02460	6.0
271.05518	0.3
272.03171	1.3
282.01791	0.1
285.04355	0.2
287.05545	1.8
288.05981	0.1
289.07214	0.1
297.03949	0.3
298.04660	0.1
299.01807	0.1
300.02734	9.6
300.99869	0.3
301.03217	0.6
313.03638	0.6
314.04218	0.3
315.05090	100.0
316.05405	6.2
317.05658	0.3
321.18732	0.1
331.04489	0.1
334.04578	0.1
395.00754	29.6
396.01031	1.9
397.00940	0.2
491.08020	0.5
492.08731	0.2
507.07495	0.1
508.08301	0.2
671.15302	0.2
833.18799	0.3
961.71997	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	1019.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	13.8
72.42157	4.6
89.02319	9.8
101.02337	8.1
111.08046	5.0
113.02353	7.8
116.92743	15.5
121.02812	9.4
179.05518	6.3
193.11768	5.0
195.13893	6.0
197.11778	22.8
211.13374	5.2
220.45099	4.8
235.08246	7.5
291.19540	18.0
293.21240	96.4
294.21466	6.1
295.22711	10.0
305.08966	5.7
309.20676	87.7
310.21127	8.9
312.84479	5.1
343.25058	11.5
397.13376	46.2
401.86533	5.6
415.14719	23.8
471.34689	48.2
472.35001	17.5
594.21881	6.3
607.50916	5.5
613.19574	5.7
673.33081	5.9
689.33801	15.7
691.35449	7.5
707.34631	14.6
983.55859	9.2
1019.53412	100.0
1020.53491	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	1017.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	21.0
71.50772	0.8
72.99168	2.0
73.02808	2.7
74.73312	0.7
75.00735	0.6
75.53542	0.5
79.95608	0.8
80.02554	1.0
80.91548	0.7
81.03321	1.9
83.01255	2.5
83.04874	2.9
84.02020	0.9
85.02815	9.9
87.00758	5.4
88.98675	1.0
89.02314	16.6
93.03335	0.8
95.01246	1.7
95.04897	1.4
96.95891	10.6
96.96835	0.7
97.02825	3.7
97.06458	2.3
99.00749	1.6
99.92449	1.9
101.02314	16.9
103.00219	0.7
109.02895	0.7
111.00757	0.8
111.04410	0.9
111.08036	6.4
113.02326	9.1
113.09598	0.7
114.93286	0.6
116.92741	14.2
117.01804	1.0
117.92728	0.9
119.03392	5.1
125.02343	6.5
125.09631	1.4
127.11159	1.4
131.03351	0.9
135.08047	0.9
137.02361	1.2
137.09560	1.9
143.03441	3.1
149.04399	1.1
153.09053	0.7
155.10657	1.0
161.04475	5.1
163.11169	2.8
165.12781	1.7
167.10669	1.7
171.10168	24.5
172.10513	1.0
177.12738	2.4
179.05518	4.8
179.10704	1.5
181.12175	0.6
183.13814	2.2
185.11749	1.9
189.01912	1.1
191.10771	1.3
193.12253	1.1
195.13844	7.7
196.14148	0.8
197.11824	1.4
201.11230	1.1
209.11755	38.4
210.12057	1.6
211.13335	10.5
212.13551	0.8
221.06587	1.6
221.11745	2.7
223.13318	3.3
227.12750	4.9
229.14374	8.2
235.08151	5.0
239.12869	1.7
241.05713	0.7
247.20619	2.2
253.09283	0.7
263.07520	1.0
273.18585	1.1
275.20206	2.8
287.07715	1.0
291.19647	56.2
292.20041	3.9
293.21207	45.0
294.21481	3.5
300.99905	1.0
305.08646	1.9
307.19031	4.1
309.20667	7.7
311.22076	1.0
323.09528	0.7
325.20300	2.2
327.21738	100.0
328.22083	9.5
379.12433	1.5
397.13474	44.5
398.13785	2.5
415.14569	21.0
416.14661	1.1
519.32379	0.7
689.33777	3.2
707.34625	0.8
725.35883	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	1017.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	11.4
71.04862	0.6
71.50897	0.4
72.99150	0.9
73.02811	1.5
77.75993	0.3
78.95760	0.7
79.95584	0.6
81.03297	1.0
83.01225	1.0
83.04871	0.7
84.02013	0.4
85.02361	0.5
85.02824	7.3
87.00752	2.1
89.02312	8.9
95.01231	0.7
95.04868	0.4
96.95287	0.6
96.95886	9.0
96.96821	0.6
97.02832	3.1
97.06471	2.7
99.00745	0.6
101.01707	0.5
101.02326	7.6
101.53655	0.3
109.06454	0.3
110.03575	0.4
111.00792	0.4
111.04408	0.6
111.08038	3.4
113.01637	0.4
113.02332	4.5
116.92695	0.3
119.03390	2.4
119.04882	0.3
123.04406	0.4
123.08072	0.4
125.02334	3.8
125.09578	1.3
127.07490	0.5
127.11165	1.2
131.03339	0.6
135.07924	0.3
137.02420	0.4
137.09637	2.1
139.03880	0.3
143.03371	1.2
145.04906	0.3
151.11171	0.7
155.10646	0.7
160.38881	0.3
161.04475	2.0
163.11115	0.8
165.12743	1.6
167.14250	0.9
169.01315	0.3
169.12250	1.5
171.10178	20.5
171.20744	0.4
172.10489	0.8
172.42097	0.3
177.12766	0.7
179.05566	2.4
181.12260	0.8
183.13808	2.6
185.11699	0.9
189.01764	0.4
193.12242	1.1
195.13815	0.3
197.11757	15.8
198.12054	0.6
199.13263	1.1
201.11227	1.0
203.10715	0.5
209.11771	2.0
211.13341	14.6
212.13620	0.9
221.06612	1.4
221.11783	2.9
227.12839	1.1
229.14413	9.8
230.14844	0.4
235.08215	2.3
239.12801	2.0
247.20636	1.3
247.52078	0.3
253.09320	0.6
263.07758	0.7
263.20160	1.2
273.18607	0.6
275.01941	0.6
287.07718	0.6
291.19650	13.1
292.19965	0.6
293.08884	0.3
293.21103	1.5
300.99881	1.2
305.08810	1.1
309.20703	43.4
310.21051	3.2
323.09894	0.7
327.21756	100.0
328.22137	7.1
328.26080	0.5
343.21262	2.4
349.98212	0.3
351.21707	0.5
397.13477	25.7
398.13818	1.5
415.14557	19.4
416.14923	1.3
425.34430	0.4
445.28781	0.4
485.32501	0.6
486.32886	0.5
487.34299	13.1
488.34552	1.2
503.33917	0.5
545.29657	0.4
619.42120	4.0
620.42627	0.5
689.33441	0.9
707.34888	10.3
708.35315	1.5
725.36017	5.8
726.36755	0.8
817.30542	0.4
1014.34369	0.3
1017.56989	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	1015.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	14.1
71.50856	0.6
72.99167	1.4
73.02821	2.1
79.95626	0.5
80.96368	0.5
81.03338	1.0
83.01245	1.2
83.04897	1.1
84.02036	2.2
85.02827	3.3
85.68214	0.4
87.00744	3.1
89.02322	10.2
90.92068	0.4
95.01253	1.8
95.04869	0.8
96.95886	6.3
97.02808	2.9
97.06462	5.8
99.00753	0.9
99.04389	1.1
100.83599	0.4
101.02316	8.8
109.06505	0.6
111.00784	0.6
111.08031	1.2
113.01624	0.6
113.02328	5.3
116.92715	0.8
119.03384	4.0
121.02863	0.5
123.04369	0.8
125.02341	4.6
125.09605	1.4
130.13298	0.4
131.03394	1.2
137.09583	0.8
143.03392	1.9
147.72774	0.5
149.13205	0.7
154.90082	0.5
155.10576	0.5
161.04480	2.0
163.11197	0.8
165.12726	0.9
167.10643	0.7
171.08771	0.7
171.10176	11.0
172.10413	0.5
179.05563	3.7
179.14297	0.5
185.11749	0.7
187.08533	0.4
193.12271	7.3
195.13852	5.8
196.14502	0.6
197.11758	3.0
209.11803	2.3
211.13345	4.2
221.06604	1.5
221.11830	0.7
223.13365	4.2
224.05124	0.5
225.12814	0.7
225.14914	12.6
227.12788	1.2
228.13560	0.5
235.08189	3.2
239.12895	0.5
243.15962	5.0
245.19064	0.7
247.20665	0.5
253.09248	0.8
253.14333	0.5
256.13126	0.7
259.63477	0.5
263.20197	0.6
270.14096	0.4
273.18555	0.5
275.20175	3.3
287.07849	1.0
289.18088	3.4
291.19629	4.4
293.21213	65.1
294.21579	5.5
300.99924	0.6
305.08777	1.8
305.20914	0.5
307.19205	3.6
309.20703	6.3
323.09818	1.1
323.22208	1.2
325.20172	0.6
341.23294	100.0
342.23660	7.6
379.12283	0.7
397.13477	26.5
398.13791	1.6
415.14563	17.6
416.14868	1.6
471.34576	0.7
583.71704	0.5
617.44257	5.8
618.44275	0.8
645.31140	0.4
673.34558	0.5
691.35242	3.6
720.69147	0.5
721.36304	3.9
722.36902	0.4
739.37122	3.3
740.37567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	11.6
71.04863	0.2
72.99181	1.2
73.02818	1.4
75.00732	0.4
81.03340	0.5
83.01243	1.2
83.04869	1.2
84.02041	1.2
85.02814	2.7
87.00748	2.6
89.01755	0.4
89.02309	8.9
93.03328	0.3
94.03999	0.2
95.01285	1.2
95.04889	0.6
96.95873	0.8
97.02814	2.4
97.06458	6.4
98.20558	0.4
99.00733	0.9
99.04359	0.3
101.02316	8.6
102.02660	0.2
109.02859	0.3
109.06457	0.5
111.00760	0.3
111.04427	0.4
111.08047	0.5
113.02324	4.5
116.69970	0.2
119.03378	2.0
121.10168	0.2
123.08093	0.3
124.01532	0.2
125.02329	3.7
125.09606	1.3
127.11165	0.2
131.03369	0.5
137.09644	1.1
137.94443	0.2
139.03854	0.3
141.01804	0.4
143.03389	1.4
149.04385	0.4
149.09534	0.3
149.13283	0.4
151.11145	0.3
161.04448	1.9
163.11201	0.5
165.12708	0.7
167.03391	0.3
167.10710	0.4
169.12289	0.3
171.10178	5.8
175.11166	0.6
177.12643	0.5
179.05540	3.2
179.10684	0.2
179.14325	0.7
181.12279	0.3
183.13756	0.4
185.11732	0.9
191.14265	0.4
193.12263	9.8
194.12596	0.4
195.13824	4.9
196.14362	0.4
197.11723	3.5
197.15379	0.4
205.12231	0.4
205.15918	0.3
207.10123	0.3
207.13593	0.3
209.11710	1.5
211.13327	3.5
221.06621	1.5
221.11740	0.9
223.13368	3.6
225.14893	14.7
226.15219	0.8
227.12740	0.3
228.13625	0.5
231.21086	0.3
235.08228	2.3
243.15945	6.8
245.19069	0.5
247.13312	0.3
253.09236	0.6
253.14526	1.0
256.13086	0.5
275.20148	2.6
287.07733	0.9
289.18115	2.3
290.18301	0.3
291.19644	3.5
292.19730	0.4
293.21204	60.7
294.21539	4.3
301.00009	0.3
305.08762	0.9
305.21194	0.7
307.19193	2.1
309.20673	4.1
317.04358	0.4
318.04953	0.3
323.09845	0.7
323.18738	0.3
323.22314	0.8
325.20261	1.2
327.21927	0.3
341.23285	100.0
342.23642	7.2
365.23294	0.5
379.12500	0.7
383.24249	0.4
397.13470	19.9
398.13828	1.1
415.14520	15.9
416.14761	1.2
617.44177	6.2
618.44800	1.1
654.26526	0.3
665.01447	0.3
673.34338	0.8
691.35577	2.4
721.36432	3.2
722.36566	0.4
739.37500	6.1
740.37683	0.7
1015.55737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	29.5
71.49496	2.4
72.99194	1.4
73.02817	4.1
78.95791	4.4
79.95620	2.3
80.96397	1.2
81.03319	3.6
83.01254	3.9
83.04900	2.8
85.02818	7.1
87.00745	7.3
89.02310	22.5
95.01272	2.6
95.04916	2.9
96.95885	29.0
96.96825	1.6
97.02821	7.3
97.06474	3.5
99.00766	1.8
101.02322	28.6
104.24725	1.2
109.02834	2.3
109.06479	2.9
111.08038	11.7
113.02313	14.2
116.92731	3.3
119.03374	7.3
121.06421	1.6
123.04421	1.4
123.08083	1.5
125.02346	8.0
125.09612	6.6
127.07592	1.6
137.02350	2.0
137.09615	3.4
139.11220	1.3
143.03386	5.1
149.09641	1.6
151.11168	1.9
151.29829	1.5
160.05927	1.4
161.04465	5.0
163.11188	4.3
165.12787	1.9
167.10681	5.6
171.10245	2.4
177.12752	3.4
179.05525	5.9
179.10645	2.5
181.12289	1.9
183.09979	1.3
185.11682	7.8
191.14330	5.2
195.13873	8.2
197.11784	2.8
201.11148	1.5
203.14310	1.5
207.10167	4.1
209.11777	11.2
209.19556	1.3
211.13464	1.9
221.06615	4.0
223.13387	1.5
225.11313	2.5
227.12790	4.1
235.08112	3.9
235.36484	1.4
237.11226	1.8
245.19057	11.2
247.20628	3.4
253.09286	1.5
263.20111	2.9
265.17926	1.4
271.17151	1.4
273.18600	1.4
277.21628	1.7
289.18088	30.5
290.18356	2.8
291.19635	100.0
292.19989	6.2
293.21194	10.0
295.22586	3.6
305.17508	1.7
307.19098	27.6
308.19519	2.9
309.20673	7.4
310.21109	1.6
311.22290	2.7
323.18628	1.7
397.13483	19.8
398.13864	2.7
415.14609	9.7
443.37231	1.3
703.00745	1.5
1015.50745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	43.3
71.74773	1.0
72.01588	1.2
72.99173	3.7
73.02814	8.6
78.95778	1.6
80.02551	1.0
81.03334	3.6
82.35242	1.1
83.01249	7.7
83.04872	3.0
84.02020	1.2
85.02820	13.7
86.04610	0.9
87.00764	9.7
89.02318	32.1
90.02645	1.0
95.01257	4.6
95.04896	3.3
96.95868	1.3
97.02831	15.5
97.06458	9.8
99.00744	3.4
99.92458	4.8
101.02322	31.3
106.04085	1.5
107.04887	1.3
109.02821	2.4
109.06428	2.1
111.00752	2.6
111.08051	14.6
113.01540	1.2
113.02323	19.5
116.92747	38.9
117.01826	2.1
117.92703	1.6
119.03391	10.3
121.02837	1.0
121.06464	1.2
123.00727	1.2
123.04407	6.2
123.08033	3.5
125.02341	17.4
125.09621	15.5
127.07606	1.3
131.03398	1.5
131.44106	1.1
135.07999	2.2
137.02341	2.2
137.09569	5.5
139.03888	1.1
141.01851	1.4
141.12601	1.4
142.02597	1.4
143.03433	5.8
145.05032	1.4
149.04463	2.1
149.05997	1.3
149.09492	1.1
151.11198	1.7
153.09041	1.3
161.04437	7.7
163.11180	10.3
165.12755	5.7
167.10635	2.2
169.12270	7.6
171.10190	13.1
175.49042	1.2
177.12737	2.0
179.05508	11.1
179.10640	2.4
179.14314	1.3
180.11430	1.2
181.12248	3.2
183.13809	2.3
185.04506	1.2
185.11751	12.9
189.12718	1.1
191.10695	2.1
191.14352	9.3
193.12259	3.1
193.15991	1.1
195.13898	2.8
197.11763	76.8
198.12135	2.8
199.13321	4.6
202.31174	1.1
207.10205	4.4
209.09900	2.1
209.11775	26.7
210.12175	1.4
211.13365	14.6
217.07178	1.6
221.06570	5.7
221.11725	1.2
223.13329	2.4
225.11252	3.5
225.14836	3.4
227.12849	13.4
227.17978	1.2
228.13213	1.1
235.08224	8.8
237.11246	3.2
243.15771	1.4
244.22176	1.1
245.19092	18.5
247.16939	1.7
247.20644	3.4
253.09215	3.7
263.07706	2.1
263.20145	9.9
265.18106	1.6
271.16953	2.6
273.18524	2.4
275.20255	2.0
281.21161	2.1
287.07758	2.2
289.18094	83.7
290.18365	2.7
291.19656	48.2
292.19934	4.4
293.18060	1.8
293.21240	30.3
294.21622	1.9
300.99884	2.8
305.08731	2.1
305.17563	1.3
307.19138	71.8
308.19415	4.1
309.20703	100.0
310.21063	7.8
311.22168	3.5
317.04425	1.7
323.22369	1.4
325.20093	3.5
327.21631	1.5
338.45926	1.2
341.23285	41.6
342.23639	2.8
344.03058	1.3
362.04565	1.7
379.12134	1.5
397.13498	52.0
398.13773	3.2
415.14615	33.2
607.26526	2.2
617.43622	1.4
691.35657	1.6
705.34155	1.6
707.35229	1.3
997.54205	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	1015.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	43.3
71.74773	1.0
72.01588	1.2
72.99173	3.7
73.02814	8.6
78.95778	1.6
80.02551	1.0
81.03334	3.6
82.35242	1.1
83.01249	7.7
83.04872	3.0
84.02020	1.2
85.02820	13.7
86.04610	0.9
87.00764	9.7
89.02318	32.1
90.02645	1.0
95.01257	4.6
95.04896	3.3
96.95868	1.3
97.02831	15.5
97.06458	9.8
99.00744	3.4
99.92458	4.8
101.02322	31.3
106.04085	1.5
107.04887	1.3
109.02821	2.4
109.06428	2.1
111.00752	2.6
111.08051	14.6
113.01540	1.2
113.02323	19.5
116.92747	38.9
117.01826	2.1
117.92703	1.6
119.03391	10.3
121.02837	1.0
121.06464	1.2
123.00727	1.2
123.04407	6.2
123.08033	3.5
125.02341	17.4
125.09621	15.5
127.07606	1.3
131.03398	1.5
131.44106	1.1
135.07999	2.2
137.02341	2.2
137.09569	5.5
139.03888	1.1
141.01851	1.4
141.12601	1.4
142.02597	1.4
143.03433	5.8
145.05032	1.4
149.04463	2.1
149.05997	1.3
149.09492	1.1
151.11198	1.7
153.09041	1.3
161.04437	7.7
163.11180	10.3
165.12755	5.7
167.10635	2.2
169.12270	7.6
171.10190	13.1
175.49042	1.2
177.12737	2.0
179.05508	11.1
179.10640	2.4
179.14314	1.3
180.11430	1.2
181.12248	3.2
183.13809	2.3
185.04506	1.2
185.11751	12.9
189.12718	1.1
191.10695	2.1
191.14352	9.3
193.12259	3.1
193.15991	1.1
195.13898	2.8
197.11763	76.8
198.12135	2.8
199.13321	4.6
202.31174	1.1
207.10205	4.4
209.09900	2.1
209.11775	26.7
210.12175	1.4
211.13365	14.6
217.07178	1.6
221.06570	5.7
221.11725	1.2
223.13329	2.4
225.11252	3.5
225.14836	3.4
227.12849	13.4
227.17978	1.2
228.13213	1.1
235.08224	8.8
237.11246	3.2
243.15771	1.4
244.22176	1.1
245.19092	18.5
247.16939	1.7
247.20644	3.4
253.09215	3.7
263.07706	2.1
263.20145	9.9
265.18106	1.6
271.16953	2.6
273.18524	2.4
275.20255	2.0
281.21161	2.1
287.07758	2.2
289.18094	83.7
290.18365	2.7
291.19656	48.2
292.19934	4.4
293.18060	1.8
293.21240	30.3
294.21622	1.9
300.99884	2.8
305.08731	2.1
305.17563	1.3
307.19138	71.8
308.19415	4.1
309.20703	100.0
310.21063	7.8
311.22168	3.5
317.04425	1.7
323.22369	1.4
325.20093	3.5
327.21631	1.5
338.45926	1.2
341.23285	41.6
342.23639	2.8
344.03058	1.3
362.04565	1.7
379.12134	1.5
397.13498	52.0
398.13773	3.2
415.14615	33.2
607.26526	2.2
617.43622	1.4
691.35657	1.6
705.34155	1.6
707.35229	1.3
997.54205	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	1015.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	2.4
72.99193	0.3
74.53107	0.2
75.00754	0.3
83.01250	2.4
85.02815	1.5
87.00755	0.4
91.01789	0.2
93.03329	1.2
94.80911	0.2
95.01268	0.5
99.00773	0.7
103.00246	0.6
107.01273	6.4
109.02844	3.4
113.02332	1.3
119.01289	0.6
121.02842	6.8
122.03188	0.2
124.01534	0.3
125.02314	0.6
135.00786	0.6
137.02361	0.3
139.00269	0.2
139.03886	0.5
149.02333	1.3
151.00275	29.0
152.00653	0.6
159.04448	0.6
161.02382	0.6
163.00279	4.5
163.03880	0.6
164.01015	0.5
167.04875	0.3
169.01361	2.0
173.06030	0.4
175.02399	0.9
175.03891	0.7
178.99780	13.8
180.00124	0.5
183.04408	0.7
185.02397	0.3
185.05980	0.5
187.03883	0.7
189.05550	0.3
190.99828	0.6
192.00546	0.3
193.01338	0.6
194.00899	0.6
201.05460	1.0
203.03497	0.4
204.64867	0.2
205.05067	0.4
211.02307	0.2
211.03949	1.8
213.01869	0.4
214.02560	0.3
215.03357	0.4
227.03444	2.0
228.03993	0.3
229.05016	1.9
239.03435	0.7
243.03004	0.6
245.04536	3.0
255.02971	4.7
256.03641	0.7
257.04526	0.6
266.02151	0.3
271.02368	1.1
271.04883	0.3
272.03149	0.3
273.04004	2.5
283.02527	2.2
284.02960	0.4
286.78058	0.2
299.01932	0.4
300.02719	0.8
301.03519	100.0
302.03854	6.2
302.07266	0.3
306.70038	0.2
344.04166	0.5
362.05298	0.3
477.06729	79.8
478.07086	7.3
479.07388	0.5
527.49890	0.2
538.09094	0.3
644.31750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40556	0.3
71.01241	0.3
79.95587	0.6
96.95881	4.8
98.19769	0.9
100.50185	0.4
116.83268	0.3
119.04944	0.6
123.00812	0.3
123.04379	0.4
125.02323	1.8
133.02817	0.4
137.02350	0.4
161.02318	1.1
163.03951	0.6
169.01317	0.6
177.01936	0.4
183.04468	1.3
196.05237	0.5
197.05960	0.5
209.05991	0.5
211.03961	0.9
212.04695	0.5
222.03183	6.0
223.03615	0.9
224.04651	0.9
225.05469	2.1
230.20441	0.4
235.03992	1.6
239.03470	1.3
240.04262	2.7
241.04828	0.4
243.03012	0.4
243.72011	0.4
244.03596	0.4
250.02678	9.9
251.03447	2.1
252.04153	1.2
252.32709	0.3
253.04993	3.3
254.05457	0.3
263.03448	1.2
267.02972	1.3
268.03656	1.1
269.04324	0.5
278.02185	14.9
279.02957	5.5
280.03656	1.6
281.04535	1.8
289.07169	0.5
295.02481	1.4
296.03329	1.9
300.02771	0.5
300.99643	0.3
306.01660	1.3
307.02460	12.9
308.02997	1.2
323.01993	2.2
324.02722	91.3
325.03455	57.8
326.03790	3.5
335.01910	0.8
367.04926	0.3
439.10693	1.6
440.10764	0.4
486.07632	0.5
487.08792	100.0
488.09109	11.3
489.09747	0.5
523.21851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	3.2
75.00774	1.9
78.95795	1.3
81.03329	6.7
83.01260	15.8
85.02836	1.7
89.02319	1.7
93.03330	4.5
95.01266	2.6
95.04875	3.3
96.95893	3.2
97.02831	6.7
98.91972	0.8
99.04379	4.0
101.02323	2.1
107.04898	2.3
109.02854	9.1
111.00730	0.9
113.02257	1.0
121.02824	5.9
122.03613	2.8
123.00775	1.9
123.04412	2.5
124.01554	3.5
125.02335	77.0
133.02803	2.1
135.04391	4.4
137.02341	67.0
138.03032	1.2
139.03902	3.5
146.03638	21.5
147.04477	4.4
149.02319	2.9
149.05876	0.9
150.03218	0.9
151.03900	3.6
159.04437	12.1
160.05171	3.8
161.02328	2.3
161.05936	1.7
163.00276	2.0
164.01056	17.5
165.01839	43.5
166.02130	1.4
167.03410	24.3
172.05199	6.0
173.05978	4.8
174.03136	11.3
174.06738	1.8
175.03905	3.5
176.04715	1.6
177.01842	7.3
179.03397	12.7
183.04420	1.2
184.05225	1.0
185.05992	2.8
186.06863	1.9
187.03949	6.9
187.07500	1.1
188.04686	6.8
189.05420	1.9
190.02634	1.2
191.03433	2.0
195.13795	3.3
197.06032	1.8
199.03857	1.5
199.07533	1.4
200.04768	5.5
201.05513	4.6
202.06168	1.1
204.04240	4.1
209.06001	2.2
209.11742	1.2
210.06813	1.7
211.03914	1.7
211.07457	0.9
212.04732	5.6
213.05437	1.8
223.07597	1.5
223.13362	1.7
224.04645	1.8
224.08418	1.1
225.05528	5.9
225.12752	1.1
226.06264	2.7
227.07152	2.1
237.05608	1.4
239.07085	1.6
241.12270	1.7
243.06465	1.0
243.13911	1.9
244.07397	1.6
251.07111	2.8
252.07942	2.1
253.09152	1.3
253.12451	1.4
255.13875	3.0
265.08701	1.4
268.07281	2.2
269.08466	1.5
269.11887	6.1
269.15134	1.6
270.08887	2.8
270.11899	1.0
271.13403	33.1
272.13678	2.2
276.07892	1.5
278.05890	1.4
281.12180	1.2
281.15335	1.1
283.13190	4.2
285.14917	3.7
287.12875	2.3
288.06421	2.5
289.14487	10.6
293.21201	7.3
294.09000	4.3
294.21643	1.5
295.13354	3.0
297.14978	4.4
299.12891	8.3
300.13364	2.4
301.14429	2.6
309.14871	3.0
311.12906	1.7
313.10910	1.1
313.14453	19.5
315.15964	2.5
317.13843	3.4
320.07040	1.2
325.14432	13.1
327.95096	1.1
331.15564	3.7
335.16498	2.7
337.14417	9.9
343.15552	6.9
351.16025	1.8
353.17734	2.1
355.15469	3.1
377.17395	4.1
379.15494	3.1
391.19122	1.8
393.16995	2.7
395.18524	4.8
401.17548	1.1
419.18622	14.3
420.18533	1.4
437.19690	8.7
445.16370	2.2
463.17755	5.2
481.18689	2.2
526.98462	1.0
553.22784	1.2
567.24164	4.4
591.24677	1.9
673.28894	5.3
699.26678	1.4
715.62518	1.0
717.27753	3.6
801.45270	1.4
843.45258	20.7
844.45453	4.5
855.45300	11.6
856.45990	2.6
867.45300	9.1
868.45868	2.4
873.46442	11.7
874.47198	2.4
891.66534	1.1
909.46277	3.0
949.49609	16.5
950.49628	3.7
967.49292	5.0
968.49860	2.1
975.47565	4.6
976.47961	1.1
993.48499	100.0
994.48767	26.9
1011.49609	75.3
1012.49780	20.6
1041.95105	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	1001.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	40.4
71.49751	2.6
72.99190	5.3
73.02822	4.8
74.08699	1.9
78.95785	1.9
81.03335	4.4
83.01254	6.6
83.04885	4.2
85.02824	10.0
86.88073	1.5
87.00758	9.4
89.02322	29.5
95.01286	3.6
95.04881	2.1
96.13417	1.8
96.95890	2.3
97.02831	9.1
97.06469	5.6
99.92458	2.4
101.02328	29.6
109.38326	1.9
111.08039	6.3
113.02321	17.3
113.08897	1.8
113.09563	9.0
116.92744	25.4
119.03384	7.8
121.02919	3.7
121.06438	2.5
125.02357	10.2
125.09617	5.9
143.03407	3.7
161.04456	7.6
163.11186	3.7
165.01807	2.4
165.12747	7.7
165.85786	1.8
167.10732	3.6
169.12279	3.4
171.10106	2.7
179.05589	9.3
179.10632	1.9
181.12292	3.1
185.11746	5.8
191.14261	2.3
195.13815	17.2
197.11768	21.7
199.13235	2.4
209.11761	49.8
210.12175	2.7
211.13391	8.5
221.06662	4.2
223.13422	4.9
227.12840	10.2
235.08255	10.3
245.19066	3.9
247.20645	2.9
253.09343	2.7
263.07617	3.2
265.21848	1.9
275.20218	4.1
277.21738	22.7
287.07758	2.1
289.18103	17.4
291.19641	47.0
292.20029	4.0
293.21228	100.0
294.21597	7.5
295.19467	3.7
295.22754	67.6
296.23001	4.7
300.99695	3.2
305.08902	2.6
307.19153	18.8
309.20709	51.3
310.21011	3.9
311.22253	29.8
325.19858	2.5
327.21762	2.5
379.12531	2.9
397.13452	54.9
398.13876	4.2
415.14566	27.3
421.46332	2.1
666.49408	1.9
685.72437	2.2
701.95630	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	1001.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52782	0.9
71.01250	12.4
71.04865	0.3
72.99141	1.1
73.02802	1.4
75.00735	0.4
76.40466	0.2
78.95773	0.7
79.95583	0.8
81.03303	0.5
83.01250	1.3
83.04860	0.5
84.02061	0.3
85.02817	7.2
87.00748	2.1
89.01768	0.4
89.02312	9.7
95.01225	0.9
95.04853	1.1
96.95882	12.7
96.96841	0.7
97.02816	2.5
97.06456	2.9
98.20004	0.5
99.00761	0.7
99.04400	0.3
101.02314	8.4
102.56689	0.3
110.03622	0.3
111.04411	0.4
111.07990	0.4
113.02325	3.6
116.92678	0.4
119.03381	2.4
119.94191	0.3
124.12564	0.3
125.02329	2.9
125.09550	0.9
126.24452	0.3
127.11154	0.8
131.03360	0.4
131.56090	0.2
137.09618	1.9
141.01787	0.3
143.03362	1.0
155.10666	0.8
161.02368	0.3
161.04457	2.1
163.11273	0.4
165.12679	0.9
167.10638	0.5
167.14204	0.7
171.10172	18.3
172.10440	0.3
177.12704	1.1
179.05505	3.2
179.10733	0.3
179.14241	0.6
181.12233	0.6
183.13849	3.1
185.04375	0.4
185.11705	1.0
187.00278	0.4
189.01833	0.9
193.12260	0.8
195.13824	4.8
196.14798	0.2
197.11734	0.7
199.13344	0.3
201.11111	0.6
203.10606	0.4
205.12308	0.5
209.11742	1.5
211.13324	14.2
212.13661	0.7
221.06670	1.6
221.11758	2.1
223.13345	3.6
224.13663	0.4
227.12733	0.4
228.13596	0.4
229.14407	9.6
230.14702	0.5
235.08200	2.2
239.12802	2.1
247.20607	0.6
253.09203	0.7
256.13202	0.7
275.20135	3.0
287.07687	0.4
291.19656	5.1
293.21204	51.3
294.21466	2.5
305.08856	1.3
309.20703	8.4
310.21008	0.4
323.09821	1.0
327.21741	100.0
328.22079	6.1
356.48117	0.3
397.13480	22.6
398.13718	1.6
415.14563	20.1
416.14899	1.0
499.84668	0.3
545.29907	0.6
603.42548	4.4
691.35193	3.6
692.35632	0.4
707.34949	7.1
708.35608	0.7
725.36102	6.0
726.35950	0.5
843.27747	0.3
1001.57507	1.1
1002.57288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	19.0
71.51227	2.7
72.99183	2.9
85.02342	1.7
85.02814	7.7
87.00739	3.9
89.02316	15.3
93.03309	3.0
94.02848	3.0
95.01250	5.1
95.62563	2.0
96.04370	2.3
96.95876	3.9
98.67014	1.9
99.00769	2.5
101.02320	14.2
106.06503	8.7
107.01254	2.0
108.02048	3.3
109.02831	3.5
113.02337	9.6
119.03410	4.7
120.08083	12.2
122.05991	6.2
123.00763	3.8
125.02331	18.7
132.04454	2.5
134.06013	34.2
137.02292	2.1
137.06435	2.0
138.05507	2.4
149.02446	3.3
151.00322	4.5
152.00957	3.0
152.07068	8.9
153.01672	2.0
158.02310	2.4
169.01331	24.3
177.01788	2.1
190.05038	5.6
211.02359	7.4
223.08755	4.8
229.01398	2.4
237.10312	4.4
239.11830	11.8
240.12000	1.8
243.03032	3.5
245.74634	2.4
249.06633	4.5
249.10272	3.3
251.08217	4.0
251.11836	7.7
255.02943	8.5
263.08237	7.8
264.09018	10.0
265.09763	11.1
265.12964	2.2
271.02194	12.5
271.04681	6.9
277.09802	11.0
278.10614	5.0
279.11337	25.2
280.12085	6.3
281.12909	5.0
285.12369	2.1
291.11368	8.0
292.08627	1.8
292.12167	4.9
293.13049	3.4
300.02765	31.8
300.99823	8.9
301.03433	17.8
305.09274	2.8
307.10782	2.5
323.10214	4.3
324.11072	5.6
325.11795	3.3
326.12512	3.0
331.06754	3.2
337.11829	5.8
356.17850	2.3
358.15335	2.8
376.16589	3.2
388.16595	3.0
400.16666	3.5
412.16696	2.9
420.15573	2.4
426.18063	3.3
433.19882	2.3
443.18494	2.3
444.19064	3.6
462.20236	5.1
463.08755	33.9
464.09012	4.8
472.18579	6.1
473.19409	3.4
490.19974	11.6
499.18121	7.0
537.12323	11.0
537.20673	15.0
538.12878	2.4
539.21765	2.8
605.24329	3.0
606.24963	2.4
623.24792	5.9
633.22760	2.5
634.23376	3.3
650.23456	4.3
651.23749	4.3
682.26154	8.7
683.26074	2.5
747.28845	50.3
748.29199	8.4
771.28857	4.0
779.31390	100.0
780.31860	16.6
803.31683	2.6
951.34979	6.6
969.36176	82.6
969.56110	4.4
970.36810	16.9
983.37286	8.3
1001.38959	48.5
1002.39771	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	986.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	3.2
69.07060	13.7
69.93771	3.6
69.94181	2.6
71.04980	1.8
71.08629	1.0
73.02903	3.1
75.87151	1.1
79.05489	39.1
80.42937	1.1
81.03423	2.1
81.07053	42.9
81.07536	2.4
83.04958	1.6
83.08608	7.2
85.02899	9.1
85.06527	2.1
91.03953	7.2
91.05473	46.7
93.07037	37.4
95.04957	5.5
95.08599	33.9
97.02901	5.2
97.06532	3.8
97.10146	2.9
99.04428	1.3
103.05435	1.8
105.07026	41.5
107.04947	1.2
107.08585	23.0
109.06517	2.6
109.10142	12.2
115.05453	2.6
115.98232	1.0
117.07014	22.6
118.94595	1.0
119.08572	31.9
121.06570	1.2
121.10137	15.2
123.08072	2.6
123.11694	3.0
125.09608	1.9
127.03992	1.6
128.06210	4.6
129.05444	1.8
129.06998	17.4
130.07796	2.2
131.08559	29.8
133.10120	18.9
135.07994	2.1
135.11684	9.5
141.06987	6.1
142.07768	2.0
143.08548	18.2
145.04935	2.6
145.10115	22.8
147.11674	17.0
149.13249	5.4
153.06984	2.2
153.12788	1.5
154.07774	1.6
155.08551	11.9
156.09305	2.4
157.10121	17.7
159.11674	14.4
161.13229	7.7
163.06065	3.5
163.14828	1.3
167.08568	4.9
168.09236	1.4
169.10100	12.3
171.11702	15.4
173.09682	1.9
173.13242	11.0
175.11229	2.0
175.14818	3.8
177.16391	1.3
179.08527	2.6
181.10095	7.3
183.11685	12.0
185.13271	9.7
187.14792	5.1
188.47845	1.2
189.16373	2.4
193.10103	2.4
195.11676	7.1
197.13187	11.0
199.13246	1.2
199.14755	5.2
201.16397	2.3
207.11708	2.6
209.13216	8.3
211.14790	6.8
213.16374	2.9
221.13235	2.2
223.14786	4.2
224.53412	1.2
225.16397	3.0
227.18039	2.3
233.13242	1.4
235.14853	2.6
237.16318	2.4
239.17860	3.2
241.19638	1.6
249.16380	1.7
251.17938	2.1
253.19542	1.4
255.17348	1.5
255.20938	1.2
257.18997	5.1
259.20493	3.3
267.21097	1.5
269.18591	1.1
275.19998	1.3
281.15469	1.2
283.20508	1.4
297.22046	1.9
301.21655	1.5
323.02600	1.2
323.23615	1.6
333.24323	3.5
351.26932	1.4
365.28317	2.1
369.28076	1.4
407.29041	1.3
447.32486	2.8
453.33383	1.3
457.47147	1.2
465.33630	1.2
487.33994	1.6
501.35370	2.2
513.36279	1.6
517.40411	13.0
521.36212	1.9
525.35931	1.4
535.41290	4.8
539.37213	4.7
591.44012	10.0
609.45081	100.0
610.45392	4.6
621.44904	1.9
675.45825	1.2
699.45734	1.6
730.68262	1.3
735.47321	1.7
753.49084	2.7
771.50275	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	984.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	15.8
71.04974	2.3
72.97484	0.9
77.03933	1.3
79.05492	24.7
81.03416	6.0
81.06599	1.9
81.07055	30.5
83.04990	4.9
83.08626	4.8
85.02868	1.2
85.06525	1.4
91.05474	41.5
93.07040	28.6
95.01312	4.5
95.04964	5.9
95.08605	20.8
97.06532	11.5
97.10176	1.8
103.05470	1.2
105.07027	56.0
107.04943	6.9
107.08595	13.1
109.06503	3.2
109.10158	7.2
109.68493	1.0
111.08067	1.9
115.05486	1.7
117.07017	13.6
119.08578	33.8
121.06538	2.0
121.10130	10.7
123.04420	1.1
123.08061	2.3
123.11672	1.8
125.09614	2.2
128.06223	1.7
129.07002	5.1
131.08557	17.1
133.10132	32.2
135.08029	1.7
135.11676	6.6
137.09610	2.2
139.07430	1.7
141.06947	2.0
143.08516	4.8
145.06435	1.9
145.10120	13.6
147.08061	1.2
147.11681	17.8
149.09592	4.0
149.13255	5.9
155.08542	2.3
157.10139	4.8
159.11699	12.1
161.13232	11.5
163.11153	4.2
169.10104	2.8
171.11673	6.4
173.13246	5.7
175.14793	4.6
177.12799	1.5
179.14288	7.3
183.11671	1.8
185.13226	3.4
187.11162	1.5
187.14853	1.8
197.13271	2.5
199.14755	1.5
201.16272	1.1
217.19464	1.2
229.19444	1.5
239.17908	1.7
241.19508	12.9
243.30339	1.0
247.20441	1.3
255.88826	1.0
257.19028	4.9
259.20575	18.7
275.20071	44.4
277.21832	1.1
289.21854	1.2
293.21002	1.7
315.23175	6.6
331.22681	1.2
333.24228	41.6
334.24460	1.6
349.23718	35.8
350.24338	1.2
351.25525	1.4
501.87955	1.1
511.37677	1.3
513.35663	2.3
587.50323	1.2
589.42719	1.6
607.43536	100.0
608.43689	5.2
625.44562	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	982.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.4
69.07057	13.1
71.05005	3.1
71.08628	19.4
71.52491	1.7
73.02910	1.2
79.05491	15.3
79.12661	1.0
81.03396	2.5
81.07052	39.7
83.04989	2.3
83.08620	15.0
85.02898	4.7
85.06532	1.4
85.10178	11.2
89.06035	1.5
91.03948	4.2
91.05476	13.2
93.07041	14.9
95.04964	1.4
95.08600	27.8
97.02890	3.3
97.06528	5.0
97.10180	8.9
103.07613	1.3
105.07010	12.2
106.57417	1.1
107.04954	3.3
107.08587	18.1
109.02867	1.1
109.06495	3.5
109.10154	37.8
111.08075	2.5
111.11720	1.4
117.06983	5.4
119.08580	10.5
121.06466	1.3
121.10142	7.1
123.11695	4.4
125.09631	5.0
127.03930	2.3
129.07025	2.7
131.08504	6.3
132.85873	1.1
133.10138	9.2
135.08061	3.3
135.11725	4.1
137.09612	2.8
137.13249	2.2
143.08511	1.7
145.04933	1.2
145.10155	6.3
147.11673	4.6
148.27411	1.1
149.09621	4.0
149.13246	5.2
155.10561	2.3
157.10146	1.5
159.11644	4.4
160.60669	1.1
161.13263	1.7
163.06053	2.5
163.11179	1.8
173.11723	10.2
173.13095	2.0
177.12813	1.5
195.13834	2.5
227.12816	9.7
229.14339	50.2
239.23647	2.7
247.20656	1.2
257.18970	4.5
257.24741	1.7
269.17453	16.7
275.20041	20.4
277.34915	1.3
293.21161	3.0
313.27344	100.0
314.27792	3.5
325.46121	1.4
331.22882	2.5
349.19852	1.7
349.23743	23.4
367.24741	15.2
373.18585	1.3
467.37357	33.9
468.37381	1.8
507.40433	47.0
508.40604	2.9
542.50842	1.5
569.45557	1.6
587.46625	39.2
588.46967	3.2
605.47736	26.0
606.47949	2.6
651.44861	1.5
840.08893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.5
69.07063	53.6
71.00640	4.8
71.04977	6.2
71.08623	28.7
73.02902	4.0
79.05484	27.5
81.03400	7.6
81.06605	3.3
81.07050	55.6
83.04970	6.6
83.08612	20.7
85.02914	16.4
85.06530	3.5
85.10172	20.7
91.03931	7.2
91.05472	34.0
93.07038	31.6
95.04959	10.2
95.08600	56.8
97.02871	8.6
97.06512	21.0
97.10186	10.1
99.04494	1.9
105.07034	26.7
107.04948	10.1
107.08603	19.1
107.35957	1.9
109.02908	2.6
109.06493	4.0
109.10148	43.8
111.08076	5.3
115.07561	2.2
117.06979	9.5
118.03178	2.0
119.08574	24.9
121.06489	3.9
121.10107	11.9
123.08038	6.4
123.11692	7.5
125.09603	6.4
127.03899	6.7
129.06996	4.3
131.08560	12.5
133.06429	2.5
133.10124	20.4
135.08044	4.2
135.11739	10.0
137.09596	15.9
137.13165	3.9
143.08522	4.5
145.04919	4.2
145.10117	14.8
147.08052	2.2
147.11707	9.3
149.09625	23.9
149.13231	5.1
151.14891	2.0
155.10710	2.9
157.10081	4.6
159.11688	14.1
161.09628	3.3
161.13234	8.2
163.05988	3.0
163.11142	10.3
165.09149	2.3
169.10136	4.6
171.10216	2.7
171.11595	3.7
173.11714	5.4
173.13264	7.6
175.11229	2.3
177.12700	3.1
179.14287	10.4
183.11685	2.0
185.13245	2.1
187.11235	2.3
201.12711	3.2
205.19588	2.0
211.69298	2.2
223.13248	4.4
227.12758	4.9
229.14333	8.6
229.19380	2.7
239.18100	2.7
239.23694	7.4
247.20541	3.0
257.18912	7.9
257.24780	2.2
273.18472	5.5
275.20044	42.3
291.19455	8.3
293.21042	4.6
306.73218	2.2
313.27332	100.0
314.27884	2.2
321.24240	3.9
331.22733	2.3
349.23697	79.1
365.23163	5.6
383.23996	2.8
409.32993	11.5
467.37357	36.3
481.38751	3.1
491.41043	9.7
507.40234	5.5
535.39496	2.3
587.46637	80.6
603.45679	5.4
605.47577	17.4
607.84973	2.0
747.33557	2.6
967.91760	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	980.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.1
69.07069	46.9
71.05000	3.5
71.08634	26.6
71.51289	2.3
73.02911	2.0
79.05490	27.0
81.03418	4.5
81.07056	57.0
83.04973	4.9
83.08611	17.1
85.02900	15.0
85.06553	2.3
85.10178	15.6
89.05979	1.9
91.03953	4.6
91.05470	32.2
93.06490	2.6
93.07040	33.0
95.04960	8.3
95.08606	52.7
96.51416	1.9
97.02907	8.7
97.06542	11.8
97.10159	12.1
99.04464	2.2
99.08096	2.1
105.07030	24.5
107.04935	8.6
107.08599	16.3
109.02885	3.1
109.06557	3.6
109.10149	31.3
111.08071	5.0
113.09682	2.4
117.07030	11.2
119.08585	20.7
121.06538	4.0
121.10115	10.9
123.08044	3.9
123.11696	6.9
123.73656	1.5
125.09626	4.2
127.03941	5.4
128.06233	2.8
129.06966	2.9
131.08536	11.6
133.10139	16.8
135.08043	4.1
135.11693	6.4
137.09625	10.7
137.13225	3.1
139.11198	1.6
143.08511	3.6
145.04951	2.6
145.10109	12.7
147.11710	8.8
149.09618	19.1
149.13261	5.0
151.11166	1.8
155.10660	2.3
157.10217	3.4
159.11691	10.2
161.09554	2.2
161.13245	8.9
163.11180	6.6
171.11690	5.1
173.11740	5.2
173.13300	5.0
175.11142	2.3
177.12711	2.9
179.14290	9.3
183.11795	1.8
184.11055	1.8
187.11276	1.8
189.11224	2.3
194.18184	1.5
211.14864	1.8
223.13287	2.9
227.12755	3.0
229.14453	8.0
229.19492	3.0
239.18010	1.8
239.23686	7.2
247.16811	1.7
247.20573	4.4
257.18970	5.5
257.24734	2.8
275.20065	36.9
291.19531	7.5
293.21103	3.8
313.27362	100.0
347.22318	1.8
349.23727	61.2
365.23148	4.4
383.24231	3.0
409.33093	16.7
452.62750	1.8
467.37344	38.4
481.38672	4.4
491.40997	13.2
507.40353	3.1
535.39789	2.9
587.46722	67.2
588.46619	3.1
602.48798	1.6
603.46143	3.4
605.47772	17.6
738.04102	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	980.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	9.0
69.07071	21.7
70.55211	6.2
71.01348	6.1
71.04980	7.2
71.08632	28.3
73.02931	3.0
74.32443	1.5
77.03914	1.7
79.05497	41.2
81.03409	17.7
81.07053	81.4
83.04978	12.6
83.08616	18.6
85.02902	16.1
85.06538	7.0
85.10167	14.4
89.06026	2.0
91.03945	6.7
91.05483	35.9
93.06488	3.3
93.07047	40.1
95.04959	17.2
95.08604	49.1
97.02882	16.4
97.06506	9.2
97.10162	9.6
99.04466	2.4
103.05464	2.1
103.07562	2.8
105.04493	2.2
105.07018	25.2
107.04947	4.8
107.08596	20.9
109.02882	3.1
109.06506	7.7
109.10159	22.1
111.04417	2.1
111.08038	4.7
117.07040	9.9
119.08584	18.8
121.06506	4.9
121.10137	9.8
123.08038	11.0
123.11688	8.2
124.75047	1.8
125.09607	2.7
127.03910	7.3
129.05502	1.9
129.06972	4.8
129.62898	1.8
131.08565	13.2
133.06482	2.5
133.10124	18.3
135.08037	3.8
135.11697	19.9
141.09061	3.7
143.08638	2.4
145.04959	3.6
145.10101	7.9
147.08127	1.8
147.11688	7.7
149.09641	2.6
149.13213	3.6
151.11157	5.0
155.08618	2.4
157.10156	4.2
159.11717	3.6
161.09570	2.4
163.11168	4.9
165.12830	2.6
171.11711	1.9
173.04425	2.4
173.13225	2.8
175.11188	4.0
181.12270	4.3
183.69785	1.8
187.13327	4.9
193.12227	4.1
195.13954	2.0
239.23692	5.0
243.15816	8.7
253.14534	2.1
255.15881	20.0
257.25024	2.3
267.15915	10.2
268.16824	2.1
269.17462	7.6
273.18527	4.7
275.19986	3.1
285.16895	7.7
291.19574	12.4
297.66861	2.0
307.19354	2.6
313.27347	100.0
314.27606	2.9
341.26755	2.5
349.23779	4.1
365.23203	4.2
481.38907	29.3
493.39008	21.5
505.38846	3.9
506.39883	3.8
507.40674	12.4
523.39764	7.1
587.46539	4.9
603.45667	2.8
1019.08167	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	968.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	53.5
69.03422	8.5
69.07063	23.0
71.04995	6.1
73.02905	2.3
79.05022	2.3
79.05489	52.0
81.03413	80.7
81.07050	54.0
83.04983	12.2
83.08614	28.5
85.02914	10.7
85.06533	4.2
91.03959	2.4
91.05473	50.6
93.07037	49.6
95.04962	36.8
95.08604	26.0
97.02893	6.1
97.06528	10.8
97.10165	17.6
99.04448	2.1
99.08088	2.0
100.51180	1.3
103.05434	1.6
105.04498	1.8
105.07027	38.2
107.04941	15.5
107.08587	32.9
109.02897	3.0
109.06496	10.0
109.10157	16.3
111.04438	3.6
111.08080	10.5
115.05481	2.9
117.06999	15.9
118.20530	1.2
119.04932	2.4
119.07716	1.5
119.08574	30.6
121.06491	8.2
121.10146	18.7
123.04398	3.7
123.08059	5.5
123.11710	4.3
125.05991	1.2
125.09625	14.5
127.03913	2.9
128.06186	3.1
129.06993	17.8
131.04918	2.6
131.08551	25.7
133.06502	6.6
133.10127	22.5
135.08038	5.8
135.11711	11.8
137.06026	2.5
137.09610	6.5
139.11179	1.4
141.06973	3.0
142.07738	3.0
143.08545	8.4
145.06525	4.3
145.10126	15.9
147.08031	6.9
147.11674	19.9
149.05869	1.7
149.09630	16.4
149.13240	7.1
153.09119	2.1
155.08530	4.9
157.10112	14.8
159.08018	2.6
159.11702	10.5
161.09656	4.2
161.13257	4.8
163.11174	8.0
165.12724	3.1
169.10129	4.9
171.08052	2.8
171.10315	1.4
171.11700	5.9
173.04436	3.3
173.09604	1.4
173.11797	2.1
173.13268	4.7
175.11176	10.1
177.12810	3.6
179.14241	2.5
181.10031	1.8
183.11684	5.1
185.09615	2.2
185.13310	5.2
187.11185	2.4
187.14777	1.4
189.11272	6.8
189.12700	2.1
193.12221	23.1
195.11745	2.0
195.13921	2.0
196.95886	1.5
197.13287	2.2
199.14848	1.7
201.12723	1.7
203.10753	1.4
203.14337	1.5
205.12233	2.3
207.11699	1.9
209.13300	1.8
211.11295	1.9
211.13261	3.6
213.14792	1.6
217.15955	1.7
219.13829	2.0
223.13191	2.5
227.12698	13.6
229.14346	5.9
233.15384	2.5
239.17921	1.8
249.14888	2.5
255.15820	9.2
257.19070	3.9
259.13278	1.5
267.15900	68.2
268.16171	2.8
269.17450	18.4
271.16901	1.3
273.14859	2.0
273.18460	2.0
275.20062	21.0
283.15366	1.8
285.17078	2.2
291.19586	3.8
292.19894	1.3
293.21191	2.4
301.14212	3.1
309.16879	1.9
315.23209	2.0
317.21194	1.6
349.23724	19.5
351.23038	2.6
365.22974	1.4
367.24799	4.1
369.24133	3.6
387.25217	1.9
403.24750	1.6
421.26004	6.7
435.27032	3.7
443.28101	8.6
447.27423	30.9
448.27527	2.0
449.30200	3.9
454.11444	1.5
459.27301	3.5
461.28967	100.0
462.29327	3.2
467.31302	4.3
477.28027	3.2
479.29718	2.4
485.32913	1.9
493.31647	9.5
501.32144	3.5
503.30008	1.9
523.34259	5.9
541.35236	78.1
542.35522	3.4
559.36304	30.0
569.31024	2.7
573.37500	3.5
583.36450	1.6
587.32574	3.5
591.38495	5.3
605.33014	2.0
649.36426	2.8
667.38159	3.3
685.39380	2.7
763.55457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	81.8
69.03421	11.5
69.07066	29.6
71.01360	1.7
71.05001	10.3
71.08626	3.6
71.51083	2.9
71.51436	1.7
73.02905	4.1
77.03920	2.2
79.05019	2.3
79.05488	66.3
81.03414	94.1
81.07052	85.8
83.04983	17.4
83.08617	28.0
85.02896	15.3
85.06517	4.4
87.04469	2.3
91.03960	6.3
91.05472	79.9
92.05814	2.4
93.07035	73.8
95.04382	2.5
95.04968	42.7
95.08598	46.7
95.87423	1.4
97.02888	14.5
97.06519	15.5
97.10151	17.0
99.04456	3.4
99.08083	5.9
103.05460	2.0
103.47765	1.4
105.04514	2.1
105.07027	75.0
107.04950	20.2
107.08583	44.9
109.02843	3.4
109.06523	13.9
109.10152	26.7
111.04440	2.4
111.08074	15.4
113.09650	1.9
115.05445	4.9
115.85431	1.6
117.07005	25.5
119.04987	1.7
119.08580	49.2
121.06482	12.6
121.09330	2.8
121.10139	31.4
123.04456	2.6
123.08045	8.9
123.11720	3.8
125.06039	1.7
125.09628	14.6
127.03900	5.8
127.07511	1.9
128.06244	4.5
129.05481	4.0
129.06996	26.6
129.28497	1.7
131.04964	1.9
131.08563	44.4
133.06487	5.9
133.10129	33.5
135.08034	6.4
135.11674	15.1
137.05988	2.0
137.09572	5.0
139.03902	1.6
139.11139	1.9
141.06972	5.4
142.07791	5.6
143.08560	16.6
145.04939	2.7
145.06482	2.9
145.10123	24.9
145.11182	2.8
147.08012	9.5
147.11681	26.7
149.09624	20.0
149.13298	10.6
151.11154	5.2
153.07048	2.2
155.08554	7.0
157.06500	2.4
157.10124	25.9
159.08054	4.1
159.11693	23.6
161.05928	2.8
161.09583	6.1
161.13264	10.2
163.06006	3.6
163.11162	9.4
163.14832	1.9
165.12758	4.9
167.08533	2.9
169.10077	10.7
171.08075	2.4
171.11671	14.4
173.09599	3.5
173.11789	3.7
173.13254	12.1
175.11188	12.2
175.14787	3.3
177.12737	5.9
179.08540	2.6
179.14235	2.0
181.10114	4.2
183.11697	9.9
184.43497	1.6
185.13274	10.3
187.11124	4.1
187.13327	1.7
187.14777	3.7
189.11215	10.8
189.12706	2.3
191.14378	1.9
193.10405	2.4
193.12239	28.3
195.11705	5.6
195.13850	2.4
197.13194	5.9
199.14789	5.5
201.12698	2.5
203.14380	3.6
205.12175	2.3
207.13779	2.2
209.13248	3.4
211.11485	2.6
211.13051	7.4
211.15019	2.0
213.12714	2.9
215.18024	1.6
217.15886	4.4
221.13420	2.4
221.15398	2.1
223.13298	2.1
225.14687	3.5
227.12706	13.5
229.14215	7.1
233.15396	2.8
237.14635	1.9
241.19485	5.4
247.16910	1.9
249.14839	4.7
257.18945	4.1
259.20581	14.7
267.15897	67.0
268.16190	2.7
269.17426	19.6
273.14728	2.2
273.18494	3.6
275.20059	16.8
283.20416	1.7
285.16666	1.8
287.20026	2.3
291.19620	2.1
293.21155	12.7
297.22015	2.2
299.23721	5.2
301.21664	3.0
311.19907	1.7
325.21863	1.9
331.22610	2.8
333.24457	8.2
335.70261	1.6
339.23172	3.0
343.22614	2.7
349.23856	12.7
351.23181	4.1
367.24561	5.7
369.24197	8.3
387.25159	5.8
403.24811	2.3
405.26575	2.7
407.24252	2.0
415.29752	2.0
421.25729	14.8
425.93057	1.6
431.28387	2.9
433.30701	5.5
435.27399	6.8
443.27832	11.5
447.27182	4.2
449.30377	2.6
451.31946	9.8
461.28955	49.4
462.29388	3.0
467.31299	1.8
469.33261	3.7
473.28613	3.1
475.30737	2.7
477.27924	1.8
493.31918	12.2
501.31979	2.7
503.29831	2.4
507.34860	2.7
523.34058	2.8
525.35724	43.7
526.35992	2.4
541.35229	23.9
543.36774	100.0
544.36877	5.7
557.38635	8.6
558.35571	3.0
559.36206	14.5
575.39490	11.0
633.37878	1.9
687.41248	2.4
705.41693	2.0
736.72241	1.8
887.88586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	27.3
67.49643	1.9
69.03432	8.7
69.07059	16.1
69.79786	6.6
69.80222	5.3
71.04978	3.2
71.08629	26.2
72.54383	2.1
79.05487	19.2
81.03419	9.0
81.06596	3.4
81.07051	42.5
83.04967	7.2
83.08612	16.6
85.02892	8.8
85.06541	3.5
85.10165	11.0
91.03951	3.3
91.05483	14.5
93.07031	27.0
95.04974	6.9
95.07997	2.6
95.08594	27.2
97.02873	5.0
97.06506	5.9
97.10167	5.9
99.04436	2.3
99.08096	8.7
104.26838	2.4
104.27606	2.0
105.07037	9.2
107.08604	13.4
109.02889	2.0
109.10153	12.6
111.08050	2.6
117.07010	6.8
119.08559	5.1
121.10136	7.8
123.11701	6.3
127.03903	3.5
131.08546	5.5
133.10114	7.5
135.11688	4.9
137.09668	2.1
145.04941	3.8
149.13272	10.0
149.14302	1.9
151.11189	8.6
159.11708	4.7
161.13327	3.9
161.21490	2.0
163.11179	5.2
177.12798	4.0
179.14386	3.7
195.13734	3.3
219.13686	2.7
227.12683	3.5
241.19499	2.5
259.20755	2.5
269.17480	35.6
277.21558	7.7
313.27347	61.7
351.25330	22.4
408.33258	1.9
411.34528	3.2
413.21573	3.3
507.40396	100.0
508.40872	4.9
589.48151	24.2
607.48853	2.6
628.66357	2.0
651.44257	4.9
724.62885	2.0
751.53741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	44.6
69.03435	9.6
69.06734	1.9
69.07071	24.7
69.16532	11.8
71.04983	3.4
71.08627	28.6
73.02894	2.7
79.05490	38.0
81.03423	10.7
81.07051	66.2
83.04982	9.4
83.08616	17.6
85.02917	12.1
85.06538	3.1
85.10178	17.8
91.03956	4.3
91.05475	28.2
93.07041	42.3
95.04974	8.8
95.08606	38.7
97.02876	8.5
97.06528	12.7
97.10168	11.1
99.04420	3.1
99.08073	2.7
101.02399	1.2
105.07026	22.3
107.04964	5.4
107.08591	23.2
109.02851	2.0
109.06527	6.0
109.10155	17.6
111.08091	3.9
111.11679	1.6
112.67896	1.2
113.06042	1.0
117.07015	12.2
119.08578	17.7
121.06503	3.8
121.10139	14.5
123.08062	4.0
123.11687	6.2
125.09641	3.2
127.03939	6.5
129.05469	2.0
129.06985	3.0
130.07693	1.3
131.08540	15.2
133.10126	14.9
135.08037	3.7
135.11674	13.5
137.09633	1.6
137.13206	3.1
143.08548	2.6
145.04945	4.2
145.10141	8.7
147.11694	8.1
149.09628	7.4
149.13268	11.3
151.11156	2.5
155.08545	1.7
157.10109	3.0
159.11693	13.8
161.13263	2.5
163.06029	1.5
163.11223	7.4
171.11629	2.2
173.04445	3.5
173.13263	3.5
175.11177	1.4
177.12747	2.6
179.14343	1.6
181.10239	1.1
181.12067	1.5
183.11725	1.6
185.13248	1.6
195.13823	5.7
217.15961	2.5
227.12749	3.4
239.18022	1.6
239.23672	4.2
255.15909	16.5
257.19019	8.0
257.24875	1.6
261.14883	1.7
267.15900	2.5
269.17468	39.1
275.20038	23.5
291.19464	2.2
293.21066	2.8
309.20511	1.4
313.27359	98.5
314.27463	2.4
321.24066	1.3
331.22733	2.1
349.19345	1.5
349.23679	25.5
350.23859	1.6
367.24603	5.7
413.21634	3.2
467.36911	1.5
493.38876	24.2
497.29584	1.3
507.40445	100.0
508.40652	3.1
547.43219	2.6
559.47015	1.2
569.45288	1.5
587.46729	34.8
588.46600	2.5
605.47656	11.6
607.28351	1.2
651.44360	2.7
749.51715	2.3
975.61932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	51.1
67.50475	2.8
69.03416	12.7
69.07067	22.5
69.22321	25.7
71.04999	3.1
71.08632	30.1
73.02906	9.1
79.05495	45.6
81.03416	9.7
81.07055	62.9
83.04969	9.5
83.08613	21.2
85.02905	25.1
85.06515	2.9
85.10179	17.0
91.03951	11.1
91.05474	56.8
93.07043	52.4
95.04974	11.4
95.08605	45.2
97.02892	21.6
97.06541	7.4
97.10153	7.3
99.04448	5.0
99.08125	4.3
105.04527	2.8
105.07032	52.7
107.04958	4.3
107.08591	25.4
109.06517	5.5
109.10168	12.9
117.07027	19.4
119.08575	38.8
121.06498	3.3
121.10143	18.1
123.08043	4.8
123.11713	7.4
127.03899	9.2
129.05489	5.1
129.06998	10.1
131.08574	22.8
133.10110	30.9
135.07953	2.9
135.11670	11.6
140.53983	2.7
143.08527	8.1
144.09480	3.0
145.04974	7.7
145.10164	18.4
147.11682	28.5
149.09618	5.4
149.13298	12.3
157.10132	6.2
159.11676	11.0
161.13231	12.5
162.39406	2.5
163.11162	4.5
171.11676	9.0
173.13231	8.2
175.14783	4.5
177.12682	3.7
185.13231	6.3
213.83559	2.7
231.21086	3.3
239.23671	5.8
241.19554	16.8
259.20578	45.5
269.17462	19.5
275.20026	14.0
313.27365	100.0
333.24207	29.2
339.12976	2.5
349.23825	12.7
364.13937	2.7
507.40436	50.2
571.46802	8.4
587.46405	8.2
589.48230	30.5
605.47510	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	964.6197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	53.9
69.03426	9.2
69.07066	31.1
69.52074	12.6
71.04988	4.3
71.08633	39.7
73.02914	4.2
79.05491	47.5
81.03425	9.8
81.07054	77.8
83.04971	12.2
83.08619	25.9
85.02908	19.9
85.06544	3.6
85.10183	21.0
91.03945	6.8
91.05473	40.5
91.06026	2.4
91.21419	1.6
93.07041	45.0
95.04968	15.1
95.08605	49.5
97.02908	14.1
97.06534	11.4
97.10167	14.2
99.08100	4.4
101.91382	1.5
103.05443	2.1
103.35712	1.4
105.07031	30.4
107.04951	6.0
107.08588	32.3
109.02887	2.0
109.06520	5.1
109.10160	18.9
111.08078	3.6
111.11720	3.1
115.05476	3.0
117.07018	16.2
119.08574	26.0
121.06507	4.2
121.10143	17.2
123.08070	5.4
123.11715	7.1
125.09585	7.4
127.03938	5.0
129.06999	3.4
130.07750	1.9
131.08575	17.5
133.10130	24.3
135.08055	4.9
135.11703	15.7
137.09692	3.0
137.13304	2.8
139.11230	1.7
143.08589	4.7
145.04974	2.1
145.06468	2.3
145.10121	15.9
147.11690	10.5
149.09625	9.1
149.13239	9.0
153.12700	1.8
157.10095	3.4
159.08136	1.8
159.11699	12.0
161.09631	2.1
161.13310	3.8
163.11166	9.4
165.12730	2.1
169.10141	1.8
171.11708	3.6
173.13295	4.3
177.12784	2.7
183.11679	2.5
187.14883	1.9
189.11218	3.2
195.13788	4.5
217.15886	3.6
227.12801	6.3
229.19398	2.0
239.17860	2.6
239.23817	3.1
247.20807	2.6
255.15912	15.4
257.19110	10.4
257.24792	2.1
267.15997	2.3
269.17450	29.8
275.20087	32.0
275.23145	2.2
291.19629	4.1
293.21136	5.6
308.53549	1.7
313.27359	100.0
331.22742	3.2
349.23734	30.7
349.27634	2.7
367.24670	7.8
374.54630	1.8
483.35815	1.5
493.38651	18.2
507.40457	53.7
508.40741	2.0
547.43280	3.0
587.46680	41.4
605.47736	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	962.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04842	4.0
67.05192	4.0
67.05504	25.9
69.03428	9.1
69.07072	28.4
70.70544	4.9
71.04996	1.9
71.08630	17.5
74.31218	1.7
79.05492	18.0
81.03416	5.9
81.07055	23.2
83.04979	4.2
83.08611	11.1
85.02920	5.2
85.10178	7.8
91.03953	2.8
91.05474	14.2
93.07053	14.0
95.04974	5.6
95.08608	24.5
97.02892	13.4
97.06521	3.6
97.10166	16.3
101.56665	1.9
105.07034	10.4
107.04930	8.4
107.08607	11.4
109.10159	13.9
111.11688	1.7
117.07024	5.4
119.08604	9.6
121.06519	4.4
121.10139	4.8
123.08102	2.7
123.11703	3.7
125.09650	8.3
129.07018	2.6
131.08595	5.2
133.06522	3.3
133.10161	3.6
135.08081	4.3
135.11684	2.6
143.08594	3.2
145.10109	4.6
147.08058	7.2
149.13313	3.0
155.50171	1.9
159.11736	3.2
161.09593	2.1
175.11212	2.0
175.39282	2.1
189.11143	3.6
205.12148	1.8
223.13290	21.1
227.12737	5.8
273.18475	15.4
291.19540	100.0
292.19781	3.5
298.43503	1.8
313.27365	65.4
314.27884	2.3
347.22171	4.1
365.23242	57.4
366.23810	2.1
403.97934	2.0
523.40070	5.0
585.45349	2.8
603.46167	98.3
604.46118	3.6
780.34393	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	962.604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04800	1.3
67.05188	3.8
67.05502	22.2
67.28452	0.8
69.03424	8.3
69.07063	21.1
69.30511	7.0
71.04976	1.4
71.08636	15.4
73.02909	0.8
79.05486	14.6
80.63493	0.7
81.03398	4.3
81.06590	1.5
81.07047	20.4
83.04967	3.4
83.08614	12.0
84.22063	0.8
85.02902	4.7
85.06497	1.0
85.10181	9.5
86.75583	0.8
89.06009	1.3
91.03949	1.7
91.05473	11.6
93.07034	12.1
95.04974	5.7
95.08604	18.6
97.02879	11.0
97.06510	2.1
97.10165	12.9
103.05466	1.4
105.07025	9.4
107.04957	5.2
107.08583	9.2
109.06489	2.4
109.10152	10.4
111.08090	1.6
117.07011	4.5
119.08563	8.3
121.06466	2.7
121.10149	3.7
123.08052	2.2
123.11684	3.2
125.09619	7.6
127.03895	1.8
128.06203	0.9
129.07021	1.6
131.08554	4.9
133.06459	2.6
133.10168	3.6
135.08046	2.0
135.11653	1.6
137.09549	2.1
143.08568	2.0
145.10097	3.9
147.08069	5.2
147.11694	1.9
149.09583	0.8
149.13278	2.0
152.18671	0.8
153.09187	1.1
157.10095	2.2
159.11664	2.3
161.09627	1.8
163.11166	1.1
165.09077	1.1
171.10229	0.9
171.11627	1.8
175.11197	2.4
177.12701	1.5
189.11180	3.0
193.12344	1.0
205.12177	1.2
206.13564	0.8
223.13275	16.5
227.12712	4.5
239.23558	1.4
249.14845	3.6
257.24817	1.1
267.15875	1.8
273.18442	12.8
291.19516	83.1
292.19839	2.3
313.27344	70.8
314.27707	3.1
347.22156	2.0
365.23196	66.0
366.23419	2.6
450.37933	0.9
505.38504	1.7
523.39844	4.2
551.35278	0.8
585.44635	2.7
603.46136	100.0
604.46381	8.5
612.64771	1.0
667.43182	0.9
849.63318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	100.0
69.03410	4.4
69.07063	20.4
70.57017	2.6
70.57411	2.3
71.04978	2.5
71.08611	1.8
73.02898	6.0
77.03922	1.8
79.05489	57.8
81.03411	3.0
81.07051	98.2
83.04974	3.9
83.08610	12.6
85.02901	25.0
85.06534	3.4
91.03947	19.5
91.05471	39.7
93.07037	82.8
95.04971	6.5
95.08601	77.2
97.02891	15.0
97.06508	4.0
97.10147	4.8
99.04455	1.7
99.08056	1.7
105.04532	1.6
105.07028	33.8
107.07890	2.7
107.08582	40.7
109.06500	2.7
109.10155	35.2
111.08049	2.7
117.07010	12.7
118.89228	1.3
119.08578	26.0
121.09344	2.3
121.10138	34.5
123.08124	2.5
123.11713	11.0
125.09610	1.4
127.03886	6.2
129.06947	2.9
131.08559	21.8
133.10114	21.8
135.08038	2.1
135.11688	25.8
137.13206	3.4
139.11140	1.9
143.08536	3.3
145.04919	5.9
145.10106	16.5
147.11674	15.8
149.09555	1.7
149.13258	14.7
157.10103	4.8
157.48383	1.4
159.11700	14.0
161.13271	14.0
163.05984	5.6
163.14813	4.7
171.11638	3.1
173.13289	10.8
175.14796	4.1
177.16393	1.6
179.14217	1.6
185.13225	4.5
187.14784	4.9
189.16338	1.8
199.14824	2.5
201.16397	2.3
215.17892	2.2
217.19296	1.7
241.19551	4.8
243.21037	4.7
259.20593	10.4
261.22128	21.9
317.24780	3.2
323.25662	1.4
333.24396	7.8
335.25781	96.9
337.27393	13.0
360.55106	1.5
521.43274	2.2
595.47235	16.2
613.48224	19.2
806.17230	1.5
859.53241	1.7
954.57434	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	953.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	1.4
70.70601	0.3
71.51543	0.7
81.03408	1.6
83.01327	1.3
85.02886	1.0
89.69187	0.4
91.05463	0.9
97.02872	1.0
99.04456	0.4
103.05456	1.2
109.02853	1.3
113.02428	0.4
119.04928	0.4
127.03899	2.8
129.03369	0.6
131.04907	0.8
131.89804	0.3
139.00243	1.4
145.02882	0.4
145.04941	1.1
147.04440	1.8
153.01871	1.9
157.01581	0.4
157.02812	1.8
158.53839	0.3
159.04387	0.7
169.01309	2.6
173.02322	0.6
175.03889	3.1
185.00812	1.4
185.02353	1.5
186.01526	0.4
187.03894	5.9
189.01744	0.4
189.75056	0.4
191.03326	0.6
203.03369	4.1
213.01799	4.8
215.03369	5.2
217.01311	0.7
219.02924	0.5
229.01288	0.8
230.01991	0.7
231.02866	25.8
232.03539	0.8
241.01329	4.0
241.05077	0.4
243.02849	0.5
245.00835	0.8
247.02405	1.5
257.00751	1.4
259.02362	41.8
260.03024	3.3
261.03876	3.1
267.02884	0.6
269.04440	0.7
273.03906	0.5
275.01816	2.9
276.02512	1.0
277.03412	100.0
278.03726	1.6
283.02292	0.5
285.00226	1.3
286.00937	0.6
287.01703	3.0
289.03519	0.5
297.03922	1.5
299.01990	1.0
300.99814	0.8
301.03244	0.6
302.00635	0.7
303.01309	11.8
312.99759	0.5
313.03375	0.7
315.01279	1.5
315.04721	0.7
321.02359	1.5
323.01868	1.1
325.03323	1.0
327.01352	0.6
328.99216	1.6
329.02777	0.5
337.03497	0.6
339.04953	0.7
341.02649	0.8
343.04526	1.1
345.02405	2.1
353.02859	1.5
355.04507	1.0
357.02246	0.6
367.04501	0.6
369.02283	1.0
371.04178	0.8
379.00790	1.0
381.02420	3.9
383.03928	1.0
385.05438	0.7
387.03796	0.8
397.01944	1.0
399.03430	1.0
407.00305	2.2
409.01834	1.6
410.02802	0.4
411.03308	1.3
419.89209	0.4
427.02945	15.3
428.03296	0.6
429.04456	1.6
434.99722	1.4
445.03949	3.1
447.05588	0.8
453.00867	12.7
454.01056	0.5
465.06171	0.9
471.01944	7.6
489.03091	0.9
533.13702	0.4
597.05103	1.2
615.05719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	0.4
69.03412	1.1
71.05000	0.4
71.55342	0.4
81.03417	2.2
83.01322	1.9
84.24108	0.4
85.02867	1.0
97.02885	0.9
103.05457	1.1
109.02883	0.8
111.00803	0.7
119.04944	1.3
123.00768	0.6
127.03927	2.0
129.03348	0.6
131.04912	1.2
139.00235	1.8
145.04988	0.5
147.04376	1.7
153.01813	1.8
157.01396	0.8
157.02850	1.5
159.04408	0.5
161.02243	0.4
163.03857	0.8
169.01334	1.3
171.04341	0.9
173.02406	0.4
175.03908	2.3
177.01840	0.6
185.00793	2.2
185.02351	1.9
185.05911	0.5
186.01550	0.4
187.03896	5.4
191.03429	0.6
199.03972	0.8
201.01852	0.8
201.05447	0.4
203.03377	4.8
204.04120	0.6
213.01878	5.0
215.03398	5.7
217.01375	0.6
219.02956	0.6
229.01280	1.1
231.02879	24.8
232.03227	0.9
241.01256	4.4
241.04970	0.6
243.02919	1.4
247.02368	1.8
257.00729	1.4
257.04379	0.4
259.02365	44.1
260.03052	3.8
261.03934	9.7
267.02927	0.4
269.04321	1.0
273.00262	0.5
273.03812	0.4
275.01770	2.9
276.02521	1.1
277.03409	100.0
278.03705	3.3
285.00424	0.9
285.04022	0.5
286.00845	0.5
287.02023	2.5
287.04941	0.5
289.02936	0.4
295.02374	0.4
297.00699	0.4
297.03931	1.8
299.01971	0.5
300.99847	0.7
301.03500	0.5
302.00516	0.8
302.98111	0.7
303.01346	10.5
303.04773	0.6
304.01834	0.5
312.99844	0.6
313.03412	1.8
315.01233	1.2
315.04865	0.6
317.02905	0.4
321.02429	1.6
323.01810	1.6
325.03391	1.3
328.99277	2.4
329.02628	0.5
337.03287	0.9
341.02863	1.5
343.04703	0.9
345.02539	1.8
351.01114	1.0
353.02625	1.9
355.04492	0.9
357.06049	0.8
365.02927	0.9
367.04315	1.3
367.26236	0.4
369.02371	2.0
371.03827	0.9
379.00604	1.6
381.02295	3.2
383.03900	0.9
385.05658	2.2
387.03574	0.7
393.02267	0.6
397.01807	2.0
398.02414	0.5
399.03522	1.6
401.05161	0.8
407.00168	2.0
409.01761	0.8
410.02786	0.5
411.03525	1.8
425.01138	0.9
426.02383	0.5
427.02942	30.7
428.03241	1.1
429.04333	1.7
434.99677	0.8
444.03021	0.6
445.04013	5.6
447.05365	0.9
453.00876	30.7
454.00992	1.2
465.06384	1.1
471.01935	16.2
472.02402	0.4
489.02420	0.4
597.05011	4.2
615.06079	7.0
633.06885	1.5
744.27667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	36.0
69.03419	5.1
69.06728	1.3
69.07069	11.7
70.00887	3.5
71.04993	4.2
73.02927	2.5
79.05491	36.1
79.08372	1.0
80.05814	0.9
81.03413	34.8
81.07049	34.3
82.07393	0.9
83.04958	6.8
83.08611	12.6
85.02911	6.4
85.06544	2.4
91.03954	4.8
91.05474	42.6
91.50094	0.9
92.05813	1.0
93.07036	41.1
95.04964	16.3
95.08604	23.2
95.09187	1.6
97.02880	5.5
97.06496	4.2
97.10160	10.4
99.08088	1.8
103.05482	1.0
105.07024	39.0
107.04950	7.3
107.08582	20.8
109.02867	1.1
109.06511	4.4
109.10156	11.5
111.04413	1.2
111.08086	3.2
115.05438	2.6
117.07007	15.3
119.04898	1.1
119.08578	31.6
121.06483	4.8
121.10138	14.8
123.04440	1.8
123.08065	4.1
123.11703	3.1
125.06001	0.9
125.09640	7.1
127.03882	2.2
128.06227	2.6
128.15685	0.9
129.05493	1.7
129.06996	11.9
130.07750	1.5
131.08557	19.8
133.06467	3.4
133.10124	18.3
135.08089	4.6
135.11681	8.3
137.09601	2.4
141.07028	2.5
142.07785	2.5
143.08542	9.1
145.04970	1.9
145.06523	1.9
145.10109	17.5
147.04333	1.1
147.08054	2.9
147.11668	18.3
149.09604	6.3
149.13258	3.3
151.11136	2.0
155.08522	5.7
157.10103	13.6
159.08083	1.5
159.11679	10.0
161.09607	2.0
161.13264	6.4
163.05991	1.7
163.11183	5.2
165.12794	1.3
167.08572	2.4
168.09250	1.0
169.10098	5.5
171.08141	1.4
171.11684	9.9
173.09622	2.4
173.11870	1.7
173.13202	7.5
175.11179	4.4
175.14822	3.2
177.12700	2.0
179.08588	1.2
181.10133	2.9
183.11742	4.4
185.09590	1.2
185.13226	7.5
187.11229	1.8
187.14839	2.8
189.11218	3.3
189.12741	1.0
189.16310	1.0
191.14380	1.1
193.10320	0.9
193.12202	5.3
195.11707	3.8
195.13541	1.0
197.13280	4.2
199.14807	3.8
201.12854	1.1
201.16472	1.2
203.14304	1.2
207.11638	1.3
209.11584	1.6
209.13284	2.4
211.14880	1.8
213.16403	1.5
217.15865	1.7
219.11823	1.1
221.13286	1.3
223.11168	1.0
223.14882	2.8
227.12639	7.7
229.14232	1.8
241.19626	5.4
257.18997	1.1
259.20557	12.9
267.15887	13.9
267.98441	0.9
269.17316	1.8
273.18576	2.0
275.20068	2.9
283.15369	3.2
285.22076	1.4
297.22000	1.3
299.20267	1.8
299.23709	5.6
301.16583	2.9
301.21695	2.0
333.24179	7.7
349.24255	1.1
403.24622	2.1
405.25574	1.1
407.24176	1.8
415.29770	2.0
417.26111	1.9
421.25696	8.8
433.30914	6.5
435.27402	7.7
441.26736	1.0
451.32019	8.9
459.27420	1.2
461.29269	1.1
467.32153	0.9
469.33029	3.6
507.34842	5.1
517.34979	2.4
525.35748	43.9
526.35828	1.6
541.34949	2.5
543.36780	100.0
544.37152	3.7
557.38550	8.6
559.36261	1.7
567.36749	2.8
575.39349	10.3
585.37878	1.9
593.36151	1.1
609.37469	1.8
611.03198	1.2
621.37335	1.1
633.37579	2.2
651.38458	2.8
669.39514	2.5
687.41211	1.6
705.41321	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	952.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	100.0
67.26978	1.6
69.03426	16.1
69.07063	45.1
70.64091	4.7
71.01362	4.0
71.04990	11.3
73.02911	6.4
78.44759	1.3
79.05009	1.9
79.05489	82.1
81.03414	87.0
81.07051	97.3
83.04979	28.7
83.08616	38.6
83.09122	1.7
85.02898	45.1
85.06541	6.6
87.04457	1.8
91.03954	9.1
91.05475	94.0
93.07036	66.4
93.07632	2.0
95.04966	48.1
95.08600	46.9
96.04487	1.4
97.02888	17.4
97.06525	26.7
97.10170	12.4
99.04455	4.2
99.08077	5.7
103.05470	1.7
104.37489	1.2
105.04528	2.5
105.06305	3.1
105.07024	65.5
107.04944	24.2
107.08585	37.8
109.02885	4.8
109.06525	11.6
109.10149	38.3
111.04433	4.3
111.08070	19.6
113.06000	3.4
113.09604	1.4
115.05453	4.3
116.04657	1.7
117.07009	17.9
119.05006	1.4
119.07717	2.5
119.08575	50.0
121.06493	7.9
121.10140	24.1
123.04408	1.7
123.08045	11.4
123.11720	5.0
125.09628	10.2
127.03918	8.0
128.06242	2.4
129.05479	5.8
129.06978	22.5
130.07732	1.4
131.08554	30.2
133.06519	6.7
133.10120	45.6
135.08060	5.7
135.11684	13.7
137.09607	16.8
141.06975	2.5
142.07782	4.9
143.08542	5.3
145.04913	2.8
145.06577	1.7
145.10101	19.6
147.08014	7.7
147.11673	33.3
149.09619	26.2
149.13260	6.1
151.11203	4.4
153.09099	1.8
155.08574	4.2
155.10672	2.2
157.08832	2.2
157.10118	26.0
159.08102	1.8
159.11710	12.5
161.09599	3.2
161.13225	4.7
163.06036	2.7
163.11195	12.5
165.09120	2.7
165.12717	5.1
169.10139	2.9
171.10284	1.2
171.11691	5.3
173.04497	2.8
173.09555	2.1
173.11726	10.8
173.13274	5.8
175.11168	27.4
175.12578	2.5
177.12772	5.0
179.14308	4.9
181.12215	2.1
183.11707	2.3
185.13242	2.8
187.11209	2.0
187.13309	1.5
187.14885	1.5
189.11253	4.2
189.12737	1.7
191.10597	1.4
193.12234	76.1
194.12665	2.3
195.11977	1.3
195.13811	3.4
197.13297	3.1
199.13257	2.6
201.12750	1.6
203.10785	1.4
205.12230	1.6
209.11710	1.5
211.13274	86.6
212.13687	1.7
223.13264	3.1
227.12766	6.7
229.14304	13.3
229.19485	2.0
233.15469	1.9
239.18060	2.6
243.15958	4.2
247.20563	2.2
249.14818	3.5
253.14296	2.4
255.15700	7.3
257.19034	7.1
259.20670	3.0
263.20190	1.8
267.15887	43.7
268.16354	1.9
269.17343	8.8
273.18555	6.6
275.20041	32.5
283.15381	3.4
285.16949	66.3
286.17358	1.7
291.19492	11.1
293.21118	4.6
294.90726	1.8
299.15057	3.1
301.16495	7.9
331.22455	1.9
333.23972	2.1
349.23737	36.2
365.23105	5.0
367.24664	1.8
381.22711	4.6
411.27649	1.7
421.25839	9.1
423.27261	3.6
429.60358	1.2
435.27466	3.5
439.21231	1.1
439.26880	32.2
445.29623	1.3
447.27408	4.9
451.08469	1.7
453.28354	6.2
461.29340	2.5
463.30524	5.3
465.28479	4.7
477.28464	2.8
479.29935	6.0
481.27893	2.1
495.29245	8.0
507.29114	1.8
541.35126	22.7
557.34985	3.3
559.36310	51.8
560.36523	3.6
575.35675	11.2
577.37213	7.3
583.30536	1.6
593.36975	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	952.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	86.1
69.03427	17.0
69.07069	32.7
69.29105	16.2
69.29526	3.7
71.04980	8.9
73.02903	9.5
79.05489	92.4
79.52590	2.0
80.05795	2.0
80.06261	2.2
81.03415	39.7
81.07052	88.6
82.04183	5.1
82.07399	2.2
83.04978	24.5
83.08623	21.0
84.02152	1.9
85.02901	32.7
85.06538	4.7
87.04444	2.6
89.22820	1.9
91.03943	10.0
91.05476	100.0
92.06253	2.3
93.07036	84.5
93.39146	2.0
95.04956	34.0
95.08605	50.2
96.04457	2.1
97.02882	19.6
97.06528	20.2
97.10146	18.5
98.07304	9.0
98.21585	4.0
99.04424	3.1
99.08089	7.3
102.89700	2.2
103.05447	4.3
105.04534	4.4
105.07025	86.9
107.04955	13.8
107.08588	47.7
109.02850	3.7
109.06537	9.3
109.10141	25.4
111.04424	3.1
111.08045	10.5
113.05997	2.7
115.05466	6.0
116.04708	14.6
116.06281	2.8
117.07010	36.4
119.08570	69.4
120.09373	2.2
121.06466	6.8
121.10126	32.2
123.04475	1.8
123.08022	10.5
123.11703	5.8
125.09629	18.6
127.03926	10.2
127.27686	1.7
128.06209	3.6
129.05486	30.8
129.06976	20.1
130.07732	4.2
131.08557	39.3
133.06487	2.3
133.10129	60.1
135.08017	8.2
135.11674	21.1
136.08899	1.9
137.09610	7.3
141.06964	2.4
142.07733	2.1
143.06972	6.2
143.08562	12.9
144.09302	2.0
145.04947	5.7
145.06465	2.8
145.10107	30.5
147.08054	4.6
147.11678	45.6
149.09579	13.5
149.13243	21.6
151.11174	3.7
155.08536	4.4
157.08586	13.3
157.10100	16.2
159.11671	24.0
161.09708	2.6
161.13243	18.9
163.06039	4.0
163.11172	14.1
163.14796	2.7
165.12727	4.1
169.10118	6.6
171.10222	4.7
171.11670	12.8
173.11832	2.4
173.13217	10.6
175.11153	8.0
175.14804	6.9
177.12801	5.4
179.14337	2.2
181.10181	2.8
181.12267	2.5
183.11690	3.3
185.13213	9.8
187.14798	3.6
189.11183	7.8
189.12692	3.6
189.16403	3.0
191.10632	2.0
193.12199	11.7
195.13863	5.3
197.13272	2.6
199.11282	1.9
199.13231	6.6
199.14854	4.6
200.14056	2.7
201.16463	2.3
203.17882	1.9
209.11781	5.0
211.13239	4.8
212.72226	2.0
227.12724	16.1
229.14323	4.3
229.19470	2.8
231.20985	3.1
239.17816	3.1
241.19463	13.6
249.14970	2.3
255.15915	4.9
257.18979	7.3
257.81262	2.0
259.20541	46.7
267.15857	14.9
268.16321	3.7
269.17477	21.5
275.20026	26.0
281.17331	2.3
283.15405	5.5
285.16934	3.6
301.16449	53.9
313.21536	2.4
315.23056	3.4
333.24164	26.1
349.23862	17.1
387.25238	2.8
461.28702	5.5
495.29385	18.6
507.28970	2.6
525.35504	7.5
541.34894	7.7
542.35352	5.6
543.36182	8.7
559.36407	14.9
567.83105	2.1
575.35797	6.1
577.37427	5.4
729.74408	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04720	1.7
67.05502	87.8
69.03419	19.5
69.07063	35.2
71.01347	2.6
71.04982	9.4
71.08621	4.3
71.51374	2.4
73.02913	16.9
77.03962	1.8
79.05488	86.6
80.06239	1.6
81.03411	36.5
81.07051	100.0
82.04189	10.4
83.04974	26.9
83.08617	23.5
85.02897	37.2
85.03382	2.6
85.06548	6.6
86.59359	1.3
87.04463	4.0
91.03958	12.9
91.05473	97.5
92.06246	1.5
93.07036	87.4
94.04147	1.4
95.04964	37.9
95.07993	2.5
95.08600	46.9
96.05775	1.4
97.02885	26.8
97.06528	18.5
97.10164	22.7
97.93105	1.2
98.07315	11.4
99.04439	4.8
99.08078	10.3
101.05988	1.6
103.03912	1.8
103.05455	2.6
105.04532	1.3
105.07025	75.5
106.07848	2.2
107.04942	16.0
107.08585	54.6
109.02882	3.6
109.06515	11.2
109.10157	26.7
111.04453	5.2
111.08062	12.0
113.09648	2.7
115.03933	2.7
115.05463	3.9
115.11741	1.4
116.04706	14.9
116.06254	2.0
117.07009	33.2
119.08574	69.7
120.09389	1.6
120.58167	1.4
121.06514	7.9
121.10138	29.8
121.10940	2.6
123.04433	1.9
123.08051	17.3
123.11694	5.2
125.06017	1.8
125.09622	25.7
127.03902	10.5
127.11209	1.7
128.06209	4.6
129.05476	49.4
129.06961	21.5
130.07838	2.2
131.04955	2.0
131.08554	41.1
133.06499	3.8
133.09116	3.2
133.10120	50.9
134.10838	1.6
135.08052	9.8
135.11676	25.9
136.08862	1.7
137.06004	2.2
137.09631	6.7
139.07558	2.4
139.11205	4.7
141.06992	4.1
142.07773	3.5
143.07022	8.4
143.08554	14.2
143.10664	2.0
145.04970	7.9
145.06505	3.2
145.10121	31.9
147.08040	6.3
147.11678	42.7
148.12486	1.6
149.09604	16.6
149.13246	19.8
150.30487	1.3
151.11220	6.9
153.09103	4.0
153.12790	1.4
155.08551	4.8
157.08604	19.2
157.10123	22.5
159.08087	3.1
159.11679	26.5
161.09616	4.1
161.13254	21.5
163.06038	6.2
163.11165	19.4
163.14807	1.6
164.11871	1.8
165.09068	2.2
165.12732	3.9
167.10547	1.6
169.10123	5.2
171.06592	2.9
171.10176	6.0
171.11700	13.9
173.09554	3.2
173.11734	6.3
173.13277	11.6
175.11172	9.5
175.14830	8.7
177.12793	7.1
179.10579	2.0
179.14285	4.0
181.12216	2.3
183.11693	5.6
185.07986	1.9
185.11774	2.0
185.13213	11.2
187.11195	2.8
187.13371	1.4
187.14839	2.4
189.11212	14.8
189.12752	3.5
191.10620	1.8
193.12263	17.2
195.13754	6.7
197.13300	5.1
199.11569	1.6
199.13272	8.2
199.14828	4.3
200.14011	3.4
201.16327	1.9
203.14409	1.5
207.13699	2.6
209.11594	7.3
210.12474	3.8
211.13181	8.5
213.14713	2.1
213.16499	2.7
215.14449	2.4
215.17934	3.5
223.14983	2.4
227.12740	20.8
227.14873	2.1
229.14337	5.3
229.19458	2.9
231.17441	2.1
231.20949	2.0
239.18085	2.5
241.19495	16.1
247.20557	2.0
251.16397	1.6
253.14207	1.9
255.15936	4.0
257.19022	11.8
259.20557	42.0
261.15027	1.9
267.15881	12.6
269.17447	27.0
273.18527	2.3
275.16980	2.2
275.20041	30.5
276.20526	2.5
283.15363	13.4
285.16977	4.6
293.21118	7.2
299.14917	2.5
299.20126	1.8
301.16434	92.2
302.16705	2.1
313.21637	3.5
315.23190	2.7
319.75342	1.5
331.22910	3.8
333.24234	29.6
349.23715	18.9
351.25278	5.6
367.24750	2.4
381.22635	2.4
397.73578	1.4
430.07904	1.5
437.25314	6.1
449.29776	1.6
461.28741	5.3
477.28320	4.0
478.28894	3.8
479.29855	2.0
495.29410	31.0
507.29160	2.0
525.35925	7.1
541.35059	5.0
542.35675	1.9
543.36469	4.2
559.36267	20.8
575.35522	5.8
577.37213	6.7
593.37024	3.3
703.40436	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	949.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	71.1
68.76717	1.4
69.03088	2.1
69.03432	22.1
69.07061	22.6
70.08697	1.4
71.01350	1.7
71.04978	6.7
71.51523	2.1
71.51920	1.7
73.02924	9.2
79.05490	47.7
81.03416	25.9
81.07050	65.0
83.04980	10.0
83.08617	12.6
85.02904	33.3
85.06534	2.8
87.04471	2.0
88.31903	1.4
91.03954	10.4
91.05474	50.8
93.07040	45.3
95.04967	13.5
95.08599	43.9
95.09188	3.3
97.02882	27.3
97.03463	2.6
97.06509	16.3
97.10162	8.9
99.04449	5.1
99.08094	3.8
101.02380	2.8
103.05463	2.5
105.07024	51.4
107.04971	7.4
107.08583	32.2
109.02873	8.3
109.06525	8.4
109.10155	25.9
111.04452	3.4
111.08090	7.0
115.05467	2.8
117.07007	22.7
119.08568	37.7
121.06483	4.8
121.10144	20.9
123.08066	4.6
123.11707	4.7
125.09612	7.0
127.03908	13.8
128.06197	4.4
129.05499	2.7
129.06985	17.4
130.07742	2.4
131.08557	32.1
131.09532	2.1
133.06488	3.7
133.10118	29.9
135.08035	6.1
135.11678	13.2
137.06003	1.9
137.09596	3.9
141.06999	7.3
142.07747	4.5
143.08549	24.4
144.09319	2.2
145.04948	4.8
145.06453	4.0
145.10109	30.3
147.08029	2.8
147.11696	19.5
149.09631	8.9
149.13264	7.5
150.76347	1.4
151.11163	3.6
154.07759	1.7
155.08553	13.1
156.09398	2.2
157.10107	20.5
159.08031	2.8
159.11670	21.4
161.09506	3.0
161.13208	8.6
163.06128	1.8
163.11197	2.1
163.14825	3.1
165.06984	1.4
167.08548	7.4
168.09274	1.8
169.10135	14.2
171.08061	2.6
171.11682	16.3
173.04437	6.4
173.09598	4.5
173.11823	3.6
173.13269	12.5
175.14780	2.8
177.12712	1.8
178.07788	2.1
179.08514	3.2
179.14265	2.0
181.10094	7.7
182.10768	1.7
183.11699	14.9
185.09651	1.5
185.13260	12.3
187.11159	3.5
187.14845	5.4
189.11214	2.7
189.12730	2.5
193.10130	5.0
195.11700	6.7
197.13254	12.2
199.14821	6.9
201.12793	2.2
201.16441	3.7
205.10071	2.8
207.11691	5.2
209.13164	7.9
211.13019	1.6
211.14862	6.2
213.12764	1.9
213.16385	4.2
215.14363	1.7
215.17882	2.2
217.16106	2.2
219.11691	2.3
221.13266	3.3
223.14868	8.0
225.12660	2.0
225.16350	4.4
227.12720	3.9
227.17871	3.0
229.14317	5.3
229.19554	1.9
231.11696	1.6
233.13293	2.8
235.14830	5.1
237.16327	3.2
239.14293	2.1
239.17982	3.2
241.19577	4.0
249.16478	2.9
251.17889	1.9
252.63196	1.7
253.19673	1.9
257.19104	5.8
259.17181	1.5
259.20544	9.9
261.22128	3.5
269.17300	2.0
273.18521	2.8
275.20102	13.4
277.19235	1.7
285.21808	1.6
297.22314	2.0
299.19989	2.4
309.21857	2.7
311.23627	1.7
315.23044	2.9
321.22141	1.7
325.21814	1.7
331.22729	3.3
333.24170	6.9
335.25723	4.1
349.23856	8.0
367.22443	2.4
375.25360	1.7
379.30255	2.8
421.31213	3.4
487.33670	2.2
495.34375	2.9
513.35638	21.1
515.38202	8.4
523.33661	1.7
525.35626	3.2
527.37244	16.2
529.38727	2.4
533.39496	5.1
539.37292	1.9
543.36700	3.2
545.38428	2.9
551.40881	2.7
575.34888	2.0
589.42664	2.3
597.45087	3.0
607.43536	52.5
608.43506	2.6
623.42517	2.3
625.44586	100.0
626.44806	6.4
649.44287	3.6
653.40045	2.2
671.40955	4.0
689.42230	4.2
691.45886	2.3
715.45038	2.1
733.46588	3.5
751.47241	4.8
769.48352	9.7
770.49805	2.0
787.49524	15.6
949.54639	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	938.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.5
67.05500	59.0
69.03421	12.0
69.07066	20.2
71.04984	7.6
71.08624	12.3
71.51658	2.2
73.02910	3.7
77.03929	1.3
77.47634	1.0
79.05489	55.2
80.05834	1.9
81.03414	75.9
81.07050	72.6
82.03759	1.6
82.07397	1.5
83.04975	21.9
83.08151	2.3
83.08614	30.1
85.02898	33.8
85.06544	6.0
87.04456	1.3
91.03979	5.7
91.05476	57.8
93.07039	49.1
95.04964	34.8
95.05566	2.0
95.08600	30.8
97.02890	11.4
97.06534	10.9
97.10152	8.3
99.04428	2.4
99.08092	11.5
105.04527	2.0
105.07024	41.1
106.07344	1.5
107.04954	13.1
107.08588	29.0
109.02882	3.2
109.06507	7.5
109.10154	13.9
111.04424	5.9
111.08073	12.7
113.06010	3.9
113.09653	2.5
115.05443	3.2
117.07025	10.0
119.08583	29.8
120.08846	1.4
121.06503	4.7
121.10127	24.2
123.08057	5.5
123.11706	4.5
125.09612	5.7
127.03891	5.2
128.06190	1.9
129.05470	2.8
129.06992	16.8
131.07613	1.6
131.08560	21.1
133.06474	5.1
133.10121	24.3
135.08063	3.1
135.11664	10.3
137.09612	3.6
141.06946	1.7
142.07739	2.9
143.08569	2.6
145.04958	2.8
145.10091	8.8
147.08028	5.2
147.11670	20.9
149.09616	8.5
149.13234	13.3
151.11162	14.7
153.09079	1.5
155.08459	1.8
157.10132	18.9
159.11679	8.5
161.13286	3.9
163.11139	9.0
165.12799	8.8
169.10071	1.9
171.11697	3.4
173.04474	2.1
173.13239	1.5
175.11194	18.3
175.14880	1.5
177.12776	3.4
179.14302	2.8
184.07304	1.8
185.13222	2.0
189.11192	2.8
189.12729	1.7
193.12228	40.1
195.13789	4.2
211.13272	60.1
212.13593	2.1
223.94153	1.3
227.12746	6.4
229.14212	1.8
241.19455	2.3
249.14998	2.6
253.14360	1.3
259.20572	5.4
267.15897	40.5
268.16217	1.9
269.17477	27.4
269.20230	2.0
275.20029	1.6
277.21606	12.2
278.37338	1.2
285.16937	68.7
286.17236	1.6
289.17706	1.1
295.22595	5.0
333.24203	2.8
349.23602	1.5
351.25305	21.9
369.26544	1.7
383.24194	1.4
413.21518	2.3
421.25623	1.6
433.30423	1.7
437.25208	1.7
439.26904	2.8
443.27844	4.5
455.26117	2.5
461.28952	39.3
462.29382	1.7
463.30243	3.6
469.32925	1.4
479.29996	100.0
480.30499	6.1
503.30597	1.3
525.35834	2.2
529.35931	1.2
542.35413	1.8
543.36780	20.9
560.36523	1.5
561.37714	37.7
579.38605	6.8
583.30389	2.6
623.34497	7.8
705.41815	2.7
939.44330	3.3
969.26355	1.3
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
65.03937	3.9
67.05499	85.3
69.03422	14.1
69.07060	21.9
69.27610	10.1
71.04991	6.3
71.08617	10.0
73.02913	8.7
77.03923	1.6
79.05486	73.0
81.03412	70.0
81.07047	94.4
82.03741	1.4
83.04972	26.6
83.08612	37.1
85.02894	48.2
85.06532	6.8
90.84263	1.1
91.03951	11.1
91.05473	67.5
93.07036	78.1
95.04958	36.7
95.08595	56.9
96.04514	1.3
97.02882	21.1
97.03441	1.4
97.06528	12.5
97.10159	10.6
98.20773	2.4
99.04448	5.6
99.08078	12.5
103.03934	1.9
103.05437	1.6
105.04518	2.4
105.07021	46.1
107.04945	11.8
107.08585	45.4
107.09312	2.1
109.02885	4.5
109.06503	7.3
109.10152	18.1
111.04446	6.9
111.08089	15.0
113.06028	2.7
113.09650	2.8
115.05469	1.7
117.07008	16.6
119.08576	39.6
121.06486	6.1
121.10129	33.3
121.12582	1.0
123.08069	5.5
123.11693	6.7
125.09601	6.4
127.03905	10.8
127.07553	1.1
128.06223	2.7
129.05501	10.6
129.06995	19.5
131.08562	31.8
131.09535	2.0
133.06511	4.1
133.10117	32.1
135.08058	3.9
135.11678	20.6
137.09662	4.8
137.13277	3.9
139.11151	1.4
141.07021	1.6
142.07788	3.6
143.08521	5.7
145.04953	11.3
145.06128	1.2
145.06477	1.1
145.10107	21.5
147.08058	5.9
147.11679	30.6
147.12798	1.9
149.09618	7.7
149.13246	20.7
151.11151	9.4
151.14807	2.2
153.12738	1.8
155.08568	4.1
155.10629	1.3
157.10115	22.2
157.11322	1.6
158.10603	1.3
159.08090	1.9
159.11687	14.5
161.09651	3.0
161.13263	10.6
163.06052	3.6
163.11171	8.1
163.14825	9.5
165.12756	5.4
169.10202	2.0
171.11644	6.0
173.09598	1.2
173.11807	3.0
173.13307	10.3
175.11185	19.3
175.14870	4.0
177.12784	4.6
177.16409	3.3
179.14377	3.8
181.10049	1.3
183.11723	2.1
185.13329	3.6
187.14870	4.7
189.11238	4.1
189.16403	1.9
191.14296	1.3
193.12222	57.3
194.12674	1.4
195.13805	7.5
197.13345	1.5
199.14934	2.5
201.16429	2.3
207.13699	1.7
209.13338	1.7
211.13257	72.7
213.12904	1.4
213.14790	1.7
215.14404	1.3
219.13789	1.3
227.12726	6.6
229.14490	2.8
241.19633	2.1
243.21072	18.4
245.13875	2.4
247.21021	1.2
249.14973	1.9
259.20450	5.7
261.22125	31.2
267.15915	40.4
269.17459	31.6
269.20200	1.8
270.17941	2.0
275.20212	1.3
277.21671	9.7
281.17459	1.3
281.89499	1.1
283.15393	2.0
285.16943	62.1
291.19501	1.4
293.17648	1.3
299.23709	1.6
301.25095	2.4
306.07712	1.4
315.23138	1.6
317.24911	4.3
333.24405	1.7
334.10770	1.7
335.25763	53.1
341.25043	2.0
351.25354	12.6
369.24365	1.9
387.25430	1.5
405.13620	1.6
413.21851	1.4
417.31586	2.4
421.25763	1.8
435.32663	9.1
443.28149	1.9
445.29514	1.8
453.33286	6.5
461.28909	18.8
463.30722	2.5
466.21417	1.4
471.35001	5.0
479.30014	49.2
491.35461	1.9
509.36334	5.0
517.39050	3.5
527.37299	62.8
528.37640	1.9
543.36945	3.6
544.36737	1.5
545.38336	100.0
546.39154	3.3
561.37762	7.2
563.39600	3.0
653.40210	2.5
671.41583	1.5
689.42694	1.7
938.47827	41.1
939.46619	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	937.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.8
69.03437	2.7
69.17355	0.3
70.17442	1.3
71.01345	0.4
71.04977	0.4
71.08642	0.4
71.40160	0.3
72.73942	0.4
73.02924	3.1
79.05502	0.9
81.03435	1.3
81.07075	1.7
85.02896	4.6
85.10189	0.5
91.03955	3.0
91.05496	0.5
93.07057	1.5
95.08606	1.4
97.02891	4.4
99.04478	0.8
101.02406	1.6
102.42294	0.4
104.99270	7.0
104.99928	0.6
105.07067	0.7
107.08582	0.7
109.02894	0.8
109.10165	1.0
110.07811	0.3
119.08608	0.5
121.10166	0.4
127.03935	0.9
131.08527	0.5
145.05013	0.4
145.33231	0.4
185.04263	0.5
186.99504	2.6
193.88542	0.5
198.97563	0.5
203.05318	0.5
235.54543	0.5
243.08514	1.2
268.99854	3.4
286.99158	1.2
335.25885	0.4
347.09583	1.7
363.09369	0.4
365.10733	0.8
405.13684	4.5
433.00757	1.2
437.20309	0.5
463.87689	0.4
497.31079	3.1
519.29480	3.8
659.36169	3.1
681.34442	5.8
775.53687	0.7
925.10828	0.5
937.58618	100.0
938.58966	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	938.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.7
67.05499	83.8
67.84380	0.9
69.03426	17.9
69.07063	22.9
71.04984	9.2
71.08625	7.1
71.13065	1.5
71.13394	1.6
73.02914	7.9
77.03891	1.4
79.05486	76.6
80.05820	1.7
81.03412	85.1
81.07050	100.0
83.04977	30.9
83.08612	38.3
85.02899	48.5
85.06523	5.5
86.09671	1.0
87.04467	1.2
91.03970	9.4
91.05474	74.2
93.07036	80.7
93.93942	1.0
94.07397	1.1
95.04478	0.7
95.04958	41.1
95.08600	55.3
96.08855	1.2
96.65064	0.9
97.02298	1.8
97.02887	21.2
97.06510	11.7
97.10162	9.7
99.04457	3.7
99.08085	11.7
101.02342	1.6
101.06035	1.0
103.05467	1.3
105.04520	2.2
105.07018	53.8
106.07330	1.7
107.04961	12.6
107.08586	38.2
107.09312	2.5
109.02859	4.1
109.06505	10.9
109.10145	18.5
111.04440	6.3
111.08074	16.5
113.06010	3.2
113.09642	1.3
115.05445	2.3
117.07002	17.6
119.04977	1.1
119.08573	38.6
121.06499	3.1
121.10132	36.1
123.08043	5.5
123.11709	8.6
125.09583	5.8
127.03906	13.3
128.06200	1.6
129.05519	9.7
129.07002	19.6
131.08551	34.1
131.09534	1.8
133.06465	5.0
133.10109	26.9
135.08046	3.4
135.11685	14.8
137.09616	4.0
137.13275	2.9
139.11142	1.7
141.06953	2.4
142.07771	5.2
143.08572	5.0
144.06519	1.3
145.04942	8.5
145.10104	16.6
147.08026	4.4
147.11676	26.2
149.09618	11.0
149.13235	18.5
151.11188	9.9
153.12784	1.4
155.08569	3.6
157.10112	21.1
157.11322	1.5
159.11650	11.0
161.13232	9.6
163.05974	2.4
163.11166	7.7
163.14795	6.7
165.12733	5.7
169.10130	3.2
171.11674	4.8
173.04399	1.0
173.09688	1.9
173.11751	2.9
173.13266	7.9
175.11169	18.1
175.14818	3.8
177.12733	4.0
177.16360	2.9
179.14342	2.8
181.10181	1.2
181.12140	1.5
183.11720	2.1
185.13231	3.0
187.14801	5.5
189.11185	2.7
189.12689	1.9
189.16414	1.7
191.14413	1.3
193.12228	63.0
194.12556	1.3
195.12036	0.9
195.13768	6.3
197.13245	1.9
199.14757	2.8
201.16487	1.4
211.13268	79.5
212.13551	1.6
217.19505	1.2
219.13806	1.2
221.15491	1.1
227.12730	7.3
229.14365	3.2
241.19496	2.0
243.21074	13.8
245.13876	3.1
249.14862	1.5
259.20572	4.2
261.22101	21.7
265.14359	1.9
267.13004	2.4
267.15897	46.3
268.16406	1.3
269.17480	27.7
273.21973	1.4
275.20190	1.5
277.21588	8.9
279.23151	1.7
283.15414	2.0
285.16940	82.9
299.23746	2.0
301.16589	1.2
301.25339	2.6
303.15851	1.5
303.23209	1.7
317.24796	3.2
335.25781	42.8
336.26233	1.4
337.27472	1.3
351.25443	9.1
369.24295	2.1
405.25778	1.1
407.33118	1.1
414.35318	1.3
417.31393	2.1
421.25815	2.4
425.34183	1.5
435.27148	1.4
435.32428	10.0
439.26752	2.1
453.33572	7.8
461.28906	15.9
463.30334	1.8
465.21399	1.4
471.34659	4.7
479.30020	45.1
479.36948	2.5
489.35263	2.2
501.35641	1.6
509.36234	5.0
515.36719	1.7
517.38611	3.3
527.37250	59.3
528.37610	2.3
543.36560	3.6
545.38324	82.2
546.38568	2.8
561.37799	7.9
563.40155	1.2
623.34467	1.3
653.39996	2.3
717.17340	1.3
803.63605	1.1
938.47729	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	936.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.2
67.05498	70.6
69.03419	13.1
69.07060	27.2
69.17594	9.6
71.01338	1.4
71.04984	10.1
71.08602	2.0
71.11800	0.7
73.02901	6.4
77.03903	1.1
79.05485	71.4
80.05813	1.0
81.03410	75.9
81.07048	81.1
83.01302	0.8
83.04497	1.7
83.04971	27.2
83.05465	1.8
83.08611	32.3
85.02894	46.0
85.06535	6.3
87.04470	1.3
91.03955	12.1
91.05471	89.5
92.05785	1.4
93.07034	73.6
94.07357	1.1
95.04956	39.4
95.08598	38.7
97.02879	18.3
97.06521	14.6
97.10141	7.7
98.20731	1.5
99.04442	3.8
99.08093	7.1
101.06021	0.9
103.05431	2.6
105.04494	1.9
105.07020	71.3
107.04948	14.8
107.08580	35.3
107.09215	0.5
109.02842	1.6
109.06509	11.3
109.09489	1.1
109.10155	14.8
111.04439	5.5
111.08066	14.8
112.39086	0.8
113.05980	2.6
113.08857	0.8
113.09603	1.9
115.03862	0.7
115.05449	4.3
116.04713	1.2
116.06231	1.2
117.07000	18.8
119.04893	1.4
119.08569	65.7
121.06494	6.4
121.10128	29.8
123.04436	1.1
123.08043	8.4
123.11671	5.9
125.09613	5.7
127.03902	7.9
127.07517	1.2
128.06175	3.4
129.05507	8.0
129.06982	23.6
131.08551	38.0
133.06477	3.9
133.10117	54.0
134.10489	1.2
135.08023	6.4
135.11679	16.0
137.09590	4.9
137.13254	1.1
139.07578	1.0
139.11157	1.3
141.06956	2.7
142.07758	4.4
143.08562	10.6
144.09296	1.6
145.04927	7.8
145.06453	1.9
145.10106	23.2
147.08055	5.6
147.11670	44.8
149.09608	15.8
149.13242	17.2
151.11180	3.8
153.09071	1.9
155.08521	3.2
156.09242	1.3
157.06537	0.8
157.10114	25.6
158.10632	0.9
159.08069	1.9
159.11673	21.8
161.09621	3.1
161.13243	16.1
163.06021	4.6
163.11179	8.0
163.14816	2.2
165.09094	1.3
165.12733	4.9
167.08490	1.5
169.10144	3.8
171.10265	1.6
171.11630	10.4
173.04419	1.6
173.09579	1.6
173.11826	1.6
173.13228	10.5
175.11166	19.4
175.14812	6.7
177.12708	5.0
179.14264	2.9
181.10072	1.6
181.12189	1.7
183.11655	4.5
185.13237	8.4
187.11229	1.9
187.14777	2.9
189.11229	3.1
189.12592	1.6
189.16310	0.9
191.10664	1.4
193.12225	70.8
194.12572	1.1
195.11722	2.0
195.13774	8.3
197.13243	2.8
199.11278	0.9
199.14803	4.8
201.12746	1.6
201.16357	1.4
203.14354	1.0
207.11813	0.9
209.13290	1.5
211.13263	100.0
212.13571	1.6
213.12811	1.3
213.14784	2.0
213.16457	1.3
215.17915	1.2
217.15933	1.9
227.12775	7.3
229.12326	1.0
229.14359	3.3
229.19516	2.2
231.13828	1.0
231.17441	1.2
231.21025	3.5
239.14238	1.2
239.17883	3.2
241.19511	17.4
243.12129	1.7
247.20569	1.6
249.15044	1.1
257.18958	9.7
259.20541	47.9
261.22256	1.1
265.14319	1.2
267.15881	45.8
268.16345	1.4
269.17453	28.8
273.18604	1.1
275.20023	18.5
277.21585	2.8
283.15405	5.0
285.16934	90.5
286.17151	2.9
291.19647	2.4
293.17700	1.6
293.20984	11.0
297.21948	2.0
299.23654	1.3
301.16330	3.6
301.21628	1.3
303.15836	1.2
315.23169	4.7
331.22632	2.6
333.24210	42.8
334.24664	1.3
335.25952	1.2
339.22998	0.9
343.84012	0.9
349.23734	14.3
351.25299	1.6
357.24057	1.0
367.24506	3.1
369.24643	1.5
387.25269	1.1
413.22156	1.0
415.29950	1.5
421.25778	1.3
423.32419	0.8
433.31003	5.6
439.26904	1.9
447.27652	1.8
451.31888	5.5
459.26913	0.9
461.28940	14.6
462.28995	1.1
469.32935	3.3
473.28851	1.1
477.28256	3.9
479.29980	44.6
480.30273	2.5
491.30646	1.2
507.34525	3.5
513.35803	1.3
515.37341	4.3
525.35681	25.6
526.35822	1.8
541.35400	6.5
543.36731	62.7
544.37274	4.1
559.36292	16.3
560.37158	1.0
561.37482	3.6
577.37335	5.7
599.31201	1.0
623.32965	0.8
651.38727	1.3
687.41095	0.9
848.01587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	5.4
67.05499	73.6
67.16136	1.5
69.03423	15.3
69.07066	34.9
69.43391	11.9
71.01344	1.9
71.04973	11.1
73.02900	6.5
79.05487	88.7
81.03411	100.0
81.07047	92.5
83.04495	2.5
83.04972	34.0
83.08615	43.3
84.10905	1.4
85.02898	50.3
85.06531	5.7
91.03937	5.3
91.05472	84.2
93.07034	73.8
95.04955	44.1
95.08600	44.3
97.02884	17.7
97.06528	25.6
97.10152	17.3
99.04437	2.5
99.08083	6.0
103.05453	2.3
105.04484	2.0
105.07022	72.5
107.04948	20.3
107.08582	50.7
109.02879	4.0
109.06512	9.5
109.10152	16.4
111.04444	4.5
111.08073	17.0
113.06033	4.6
115.05440	3.4
117.06992	18.7
119.08569	50.2
121.06498	7.9
121.10139	28.9
123.04485	1.5
123.08067	6.7
123.11703	5.9
125.09612	15.5
127.03922	5.9
128.06253	2.9
129.05469	1.6
129.06987	24.9
131.08553	34.8
133.06474	5.9
133.10115	41.0
135.08034	6.0
135.11674	15.7
137.09607	6.7
142.07751	7.0
143.08557	6.4
145.04895	2.3
145.10100	20.7
147.08081	7.4
147.11668	34.3
149.09622	24.3
149.13237	11.1
151.11174	3.3
155.08542	2.6
157.10115	25.2
159.11664	14.2
159.51466	1.5
161.09651	2.3
161.13217	5.6
163.06084	2.2
163.11154	11.6
165.12730	4.0
169.10124	2.7
171.10222	2.3
171.11664	4.9
173.04507	2.6
173.13237	5.2
174.69429	1.5
175.11163	21.9
177.12675	4.1
179.14330	3.1
181.12244	2.0
183.11694	3.4
185.13261	1.7
187.11015	2.1
187.14864	1.6
189.11250	8.4
193.10446	3.3
193.12224	52.4
195.13910	3.3
197.13208	2.2
199.14861	2.3
200.89648	1.6
211.13268	79.6
227.12746	19.1
229.14235	2.1
229.19527	3.6
239.17830	2.4
245.13907	2.3
245.17458	1.5
247.20638	2.6
249.14830	2.2
255.15820	8.4
257.19000	10.5
259.20737	1.5
267.15891	43.6
269.17419	26.0
275.20062	46.0
285.16937	85.7
293.20975	3.4
321.24054	2.8
331.22647	3.6
349.23721	40.9
367.24686	4.0
381.22675	2.9
413.21524	3.3
418.82562	1.6
437.25311	2.9
439.26923	7.5
443.27881	1.9
447.27261	12.6
455.26468	3.8
461.28900	34.5
463.29813	1.6
465.28546	15.9
477.27921	2.8
479.30008	86.4
480.30225	3.4
523.34131	2.5
541.35229	33.1
542.35443	1.8
546.56525	1.7
559.36273	71.2
560.36572	4.2
577.37286	12.9
587.32263	1.6
599.29077	2.3
623.33972	6.7
721.42157	1.9
876.32440	1.7
967.27081	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	936.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	6.2
67.05500	73.8
69.03419	14.2
69.07063	27.8
71.01346	1.4
71.04993	9.9
71.08633	1.6
73.02905	6.4
77.03902	1.5
79.05488	81.1
81.03412	72.8
81.07049	87.3
82.03706	1.7
82.07378	1.5
83.04974	23.1
83.08611	28.7
85.02899	47.0
85.06525	6.0
91.03952	9.6
91.05473	100.0
92.05807	1.8
93.07035	77.3
94.07339	1.1
95.04957	37.3
95.08596	45.5
97.02876	18.1
97.06525	13.9
97.10162	7.3
99.04444	2.9
99.08072	6.9
103.03867	1.1
103.05466	3.5
104.06238	1.0
105.04521	3.2
105.07022	87.3
106.28041	1.0
107.04941	16.2
107.07887	2.1
107.08587	39.1
109.02861	3.4
109.06503	7.9
109.10143	15.4
111.04443	3.9
111.08077	13.5
113.05994	2.8
115.03958	1.4
115.05428	4.3
117.07008	25.8
119.04914	1.4
119.08572	66.9
121.05696	1.3
121.06477	5.4
121.10138	30.9
123.04408	1.2
123.08051	9.6
123.11710	5.4
125.09621	4.5
127.03889	9.0
127.07550	1.4
128.06189	4.1
129.05414	3.2
129.07005	23.3
130.07787	1.2
131.08557	43.3
132.08923	1.1
133.06450	4.5
133.10117	53.3
134.10428	1.9
135.08044	5.4
135.11670	17.8
137.09602	4.7
141.06973	3.6
141.25191	1.0
142.07822	5.1
143.08553	12.3
144.09238	1.0
145.04916	7.5
145.06538	1.4
145.08945	1.4
145.10098	25.8
147.08000	6.8
147.10509	2.3
147.11679	44.3
148.12041	1.3
149.09615	17.8
149.13246	16.6
151.11174	2.6
155.08551	5.2
157.10117	25.5
158.10576	1.4
159.08011	1.2
159.11674	25.5
161.09596	3.6
161.13225	16.1
163.05994	2.8
163.11182	7.6
163.14827	1.7
165.12755	4.1
167.08568	1.5
169.10115	4.7
171.11662	11.5
173.04469	1.9
173.09702	1.2
173.13254	10.5
175.11159	15.8
175.14792	6.0
177.12697	5.3
179.14284	2.7
181.10106	2.0
181.12274	1.4
183.08081	1.4
183.11624	3.6
185.13243	7.4
187.11221	1.4
187.14795	2.9
189.11162	2.0
189.12718	2.4
191.14197	1.3
193.12224	53.9
194.12508	1.5
195.11952	1.4
195.13719	7.3
197.13205	3.0
199.14830	4.8
201.12688	1.8
203.14340	2.2
207.10214	1.2
207.13792	1.3
209.13242	2.0
211.13261	67.0
213.16408	2.0
215.14308	1.2
215.17859	1.1
217.15952	2.7
221.13237	1.8
227.12798	4.8
229.14206	1.6
229.19548	2.3
231.21019	4.3
239.17857	1.7
241.19496	17.4
247.20576	2.4
249.14754	1.8
251.16263	1.6
257.18964	7.7
259.20575	52.1
260.20892	2.0
261.22211	1.1
267.15887	33.0
269.17429	25.3
270.17770	1.2
275.20035	18.8
276.20468	1.3
277.21530	2.9
281.17291	2.2
283.15381	4.4
285.16956	62.5
286.17319	2.2
297.22202	1.8
299.23398	1.4
313.21680	2.2
315.23074	3.7
331.22513	1.5
333.24219	38.9
334.24405	1.4
349.23730	11.1
369.24133	1.4
421.25876	2.2
433.31146	5.8
447.27176	1.2
451.32089	5.0
461.28992	17.9
469.32797	3.3
477.28064	2.5
478.22604	1.4
479.30017	39.8
480.30511	1.4
507.34552	1.7
515.37256	3.2
525.35767	21.7
526.36151	1.9
541.34998	4.1
543.36798	58.5
544.36920	4.7
559.36243	9.3
561.37451	3.2
577.36853	1.5
669.40674	1.4
917.53772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.5
65.76410	1.2
67.05505	44.2
68.05847	1.0
69.03429	8.6
69.07065	18.3
71.01361	1.6
71.04982	6.3
73.02930	1.5
79.05490	45.4
81.03416	56.0
81.07053	63.4
83.04974	17.2
83.08153	1.9
83.08617	24.4
84.39050	1.0
85.02905	25.6
85.06504	3.0
91.03964	5.4
91.05479	44.1
93.07038	43.7
95.04967	28.1
95.08607	22.0
97.02892	8.4
97.06534	13.1
97.10151	5.1
98.20753	3.5
99.04423	1.3
99.08092	3.3
101.02356	1.3
105.04543	1.2
105.07032	32.1
107.04954	11.1
107.08585	23.7
109.02846	1.2
109.06512	8.4
109.10145	9.3
111.04419	2.8
111.08064	9.9
113.06015	2.5
115.05443	1.4
117.07001	9.3
119.08575	27.4
121.06480	4.2
121.10137	15.6
123.08067	4.4
123.11696	4.2
125.09607	3.3
127.03904	4.2
127.07542	1.2
129.06993	12.1
131.08546	19.7
133.06464	3.3
133.10123	20.2
135.08066	2.0
135.11681	9.0
137.09618	2.1
141.06967	2.0
142.07739	3.6
143.08607	2.5
145.10085	9.5
147.08029	3.5
147.11673	17.5
149.09627	11.0
149.13257	8.3
155.08533	2.6
157.10107	15.4
159.11691	9.6
163.11203	4.1
165.12756	3.7
169.10150	1.8
171.11650	1.8
173.04422	3.2
173.11789	1.3
173.13304	2.9
175.11195	15.2
177.12695	3.5
183.11719	1.5
189.11212	2.1
193.12231	36.1
195.13821	4.1
197.13182	1.4
211.13275	53.5
217.65802	1.2
227.12772	3.0
239.17955	1.7
249.14899	1.4
255.15924	6.7
257.18994	3.9
267.15912	32.7
269.17480	31.7
275.20041	14.1
285.16949	56.1
293.21005	1.2
306.78622	1.1
318.32059	1.1
349.23737	14.6
367.24673	3.2
393.01083	1.1
413.21671	2.3
433.29535	1.4
439.26685	1.9
443.27649	3.7
447.27353	10.0
449.30322	1.4
455.26453	2.3
461.28958	36.2
465.28470	14.1
479.30029	100.0
480.29919	2.6
501.32227	2.3
541.35266	11.1
559.36322	24.3
577.37122	5.4
623.33948	4.6
891.29401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	4.7
67.05499	76.7
69.03429	15.4
69.07056	26.2
69.42941	29.7
71.04984	11.0
73.02907	4.4
79.05488	83.4
81.03411	88.9
81.07049	91.9
83.04976	23.7
83.08614	42.6
85.02901	47.8
85.06513	8.3
89.39304	4.1
91.03936	9.8
91.05473	88.5
93.07037	69.4
95.04964	45.4
95.08600	38.5
97.02850	17.1
97.06528	21.4
97.10146	13.9
97.64472	3.3
99.08065	5.3
103.05473	3.5
103.96256	2.9
105.07024	62.7
107.04939	13.7
107.08583	38.8
109.02785	4.1
109.06515	14.2
109.10129	18.1
111.04430	5.4
111.08048	19.9
113.05988	3.7
115.05492	6.2
117.07011	24.1
119.04908	4.4
119.08560	55.7
121.06499	8.9
121.10137	30.5
123.08071	7.7
123.11711	5.9
125.09617	12.0
127.03903	6.1
129.07028	23.2
131.08549	37.5
133.06487	4.8
133.10138	37.6
135.08044	5.5
135.11662	12.2
137.09566	6.9
141.06964	4.7
142.07761	8.2
143.08534	9.1
145.06468	4.1
145.10126	29.1
147.08003	7.2
147.11681	29.8
149.09622	23.9
149.13203	9.4
151.11115	5.8
155.08482	5.8
157.10120	28.3
159.11710	18.9
161.13216	5.0
163.11151	9.0
165.12724	6.2
171.11716	7.8
173.13272	7.3
175.11185	24.4
177.12782	5.8
185.13278	6.3
189.11229	5.8
193.12221	62.1
195.13823	5.1
199.14854	4.6
211.13258	70.6
211.15041	5.8
227.12758	12.0
239.17923	9.6
247.20621	3.8
255.15903	12.3
257.18942	16.6
267.15903	44.4
269.17484	29.1
275.20093	41.3
277.92361	3.9
285.16965	100.0
293.21194	5.3
331.22537	4.5
349.23697	40.3
367.24887	5.0
429.26459	3.8
447.27405	17.2
461.28925	29.2
465.28455	19.5
479.30020	82.2
519.32965	4.2
541.35126	30.6
559.36212	75.2
560.36810	4.6
577.37207	12.6
623.33929	4.5
703.41290	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	935.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	9.7
69.03428	7.5
69.07071	5.1
69.23321	0.6
71.01327	0.9
71.04987	1.4
71.08621	0.5
71.52949	0.8
73.02911	7.2
79.05074	0.7
79.05490	6.4
81.03414	2.9
81.07050	10.0
83.04975	1.4
83.08631	3.2
85.02899	17.6
85.06538	0.9
87.04470	0.7
91.03952	9.0
91.05473	6.5
93.07038	7.8
95.04964	1.3
95.08607	9.1
97.02881	15.2
97.06525	1.2
97.10169	1.9
99.04460	1.4
101.02354	2.2
105.07025	6.8
107.08585	4.7
109.02879	1.2
109.06535	0.7
109.10146	3.3
111.08074	0.6
115.03910	1.0
115.05475	0.9
117.07004	3.8
119.08575	6.2
121.10133	3.6
123.08057	0.8
123.11689	1.1
125.09632	1.0
127.03925	3.5
128.06223	0.7
129.06981	3.8
130.07790	0.5
131.08560	6.7
133.06529	0.5
133.10133	4.9
135.11652	2.6
137.13281	0.7
141.07007	2.6
142.07806	0.8
143.08545	6.6
145.04968	2.8
145.10107	5.7
147.11702	2.6
149.09601	0.6
149.13251	0.9
155.08537	4.0
156.09323	0.9
157.10152	4.7
159.11682	5.6
161.13289	1.6
163.06029	0.9
163.14777	0.6
167.08609	1.4
169.10117	5.3
171.11691	6.1
173.13245	3.7
175.14879	1.3
180.09293	0.5
181.10104	2.6
183.11717	5.0
185.13243	3.4
187.14743	2.3
189.16385	1.0
193.10176	1.1
195.11710	2.7
197.13243	3.8
197.86925	0.4
199.14790	3.2
201.16344	1.7
207.11684	0.6
209.13232	1.8
211.14835	1.9
213.16417	2.2
215.18013	1.2
221.13232	0.9
223.14801	1.7
225.16426	1.9
227.17982	1.7
229.19554	0.7
235.15063	0.5
237.16443	0.7
239.17928	1.1
241.19531	1.2
243.21228	0.5
251.18010	1.4
253.19632	1.2
255.00572	0.4
263.17850	0.7
265.19754	0.5
267.21091	0.9
269.18985	0.5
269.22812	0.6
279.21133	0.5
281.22574	0.5
297.21939	0.7
322.27829	0.5
363.60532	0.5
407.33453	0.6
449.33969	0.6
517.38879	0.7
519.42065	3.6
521.32587	0.6
527.37439	1.0
529.38831	0.8
537.42932	2.5
541.39001	0.7
593.45691	5.7
609.44922	2.6
611.46649	100.0
612.47083	3.5
617.91681	0.6
623.46497	2.1
635.46899	1.1
647.46729	0.9
653.47321	1.8
701.48273	1.1
719.48877	1.8
737.49982	2.4
755.50775	3.1
773.51959	26.5
774.52374	1.8
917.56543	0.8
935.57269	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	935.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99785	1.5
69.03428	6.4
71.01350	3.7
71.50079	1.1
73.02928	0.9
77.49153	0.7
81.03400	4.4
81.03811	0.6
83.01349	3.4
85.02907	6.7
91.83450	0.7
92.09414	0.7
97.02914	3.4
99.04440	1.4
101.02366	3.1
104.93698	0.8
109.02884	6.2
111.00801	1.8
123.00871	0.7
125.02359	0.9
127.03893	4.5
131.05023	0.9
139.00241	5.3
139.03877	0.8
145.02850	0.8
145.04956	1.7
147.04425	1.8
148.01581	0.7
153.01811	8.4
157.01324	2.0
157.02760	1.2
161.02277	0.8
163.03928	1.4
169.01332	7.0
171.04329	1.1
173.02351	2.0
175.03902	2.8
176.04668	0.7
185.00824	5.8
185.02313	1.3
186.01649	2.0
187.03952	2.5
189.01855	1.4
191.03400	1.1
201.01845	3.1
202.02301	0.7
203.03436	2.9
213.01898	2.3
213.05434	0.8
215.03413	3.5
217.01370	2.3
218.02136	1.9
219.02866	1.4
229.01295	3.9
230.02010	1.1
231.02858	13.4
232.03645	3.1
241.01320	2.9
241.05093	1.0
243.02966	2.2
245.00883	2.3
247.02318	4.5
251.03326	0.8
255.02518	0.8
257.00800	11.5
259.02377	25.2
260.03149	10.8
261.03949	10.5
267.02823	1.4
269.04468	3.0
273.00302	1.3
275.01865	11.1
275.04639	1.0
276.02698	1.7
277.03427	42.8
279.02927	0.9
283.02417	0.8
285.00272	8.5
286.01132	3.0
287.01865	8.3
295.02335	1.5
297.03888	4.0
300.99921	1.0
302.00537	1.0
303.01334	65.6
304.01831	2.6
305.00897	0.9
307.02411	2.2
312.99722	2.3
313.03308	1.3
315.01294	2.1
321.02576	1.5
323.01962	2.1
325.03464	3.1
327.01364	1.1
328.99280	2.6
331.00482	1.0
335.01703	1.6
337.03384	1.6
339.00958	1.0
341.02988	1.8
343.04422	1.9
345.02563	1.4
351.01505	1.7
353.02869	5.5
355.04611	1.0
357.02399	1.1
363.01318	2.3
369.02402	2.4
371.03940	3.6
379.00571	3.9
381.02408	14.0
381.07071	0.5
383.04193	1.1
391.00934	1.0
397.02008	3.2
399.03638	1.7
407.00296	9.2
409.01852	13.7
425.01514	1.9
426.02371	1.4
427.02966	53.3
428.03308	1.1
434.99960	4.1
445.04056	8.3
452.00211	1.1
453.00897	100.0
454.01291	2.8
471.01959	34.3
472.02539	0.8
533.73657	0.9
597.04834	1.1
615.05768	4.7
781.05414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	5.7
67.05501	77.4
69.03433	14.5
69.07065	30.6
71.05000	14.8
71.23382	5.1
73.02914	7.6
77.03913	2.9
79.05491	90.3
81.03411	28.3
81.07054	88.9
83.01339	13.8
83.04978	30.8
83.08606	28.4
85.02903	36.3
85.06566	4.9
91.03951	12.7
91.05473	100.0
93.07040	97.6
93.07637	3.9
95.04957	24.9
95.08598	49.8
97.02898	23.1
97.06516	18.4
97.10167	9.5
99.04456	7.0
99.08083	6.1
105.07026	83.9
107.04959	16.9
107.08584	54.3
109.02905	4.8
109.06521	19.1
109.10159	16.3
111.04475	6.4
111.08065	11.3
113.09666	2.5
115.05433	3.2
116.06211	3.8
117.07011	33.7
119.08566	61.8
119.09372	3.9
121.06514	9.2
121.10136	38.3
123.04430	4.1
123.08059	15.9
123.11712	5.6
123.13568	2.3
125.05980	3.9
125.09632	7.1
127.03946	11.8
128.06171	2.6
129.05478	6.3
129.07001	20.9
130.07787	4.9
131.08560	36.3
133.06537	3.1
133.10129	46.0
135.08049	10.7
135.11678	37.0
137.09621	6.5
139.22656	2.6
141.06956	4.6
142.07774	4.9
143.08534	12.7
145.04979	7.2
145.06459	3.3
145.10110	51.5
145.11157	4.0
147.11673	42.3
149.09601	17.0
149.13280	16.3
151.11203	2.5
153.12767	3.6
155.08582	7.3
157.10098	12.8
159.11693	24.2
161.13272	20.5
163.06097	3.0
163.11171	41.3
169.10146	4.9
171.11644	12.6
173.09601	6.9
173.13286	12.4
175.14847	7.3
177.12743	4.3
179.14351	3.9
181.12254	7.1
182.97522	2.4
183.11674	5.3
185.13245	8.6
187.14775	4.3
189.11212	6.9
189.12846	2.9
191.10672	8.4
193.12271	3.7
195.13794	8.6
197.13336	4.1
199.14836	7.4
209.11745	15.8
227.12813	20.7
229.19588	2.5
231.21095	3.5
239.18013	3.0
241.19484	13.3
245.13962	3.5
257.19040	11.8
259.17798	2.9
259.20551	53.4
259.23111	4.7
267.15933	5.0
269.17487	27.0
275.20062	22.9
281.17459	5.4
283.15369	99.9
291.19479	3.4
297.22134	5.9
315.23169	6.4
333.24255	29.7
349.23877	17.1
443.57834	2.6
449.30389	6.8
454.12885	2.6
459.27579	3.2
467.31210	2.7
475.30908	2.6
477.28452	67.2
489.28745	3.3
523.34094	9.1
541.35248	69.0
542.35822	3.6
542.71613	3.0
543.36633	6.6
557.34534	14.9
559.36212	13.7
575.35785	8.6
631.86292	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	934.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.4
66.61920	1.1
67.05503	53.3
69.03427	18.1
69.07064	35.7
70.07977	4.7
71.04990	8.1
73.02917	3.4
77.03921	1.2
79.05486	54.3
80.05817	1.5
81.03415	56.9
81.07052	54.7
81.07536	2.6
83.01343	3.6
83.04973	19.1
83.08614	26.0
84.79662	1.1
85.02895	30.2
85.06541	3.9
86.09692	1.9
91.03957	5.1
91.05476	51.0
93.07037	51.1
94.07336	1.5
95.04958	30.0
95.08603	25.9
97.02880	17.3
97.06514	12.7
97.10159	16.1
99.04463	3.3
99.08088	1.4
100.11273	1.2
103.05513	1.7
105.07026	38.5
107.04951	15.8
107.08586	34.9
107.09316	2.1
109.02881	2.7
109.06512	9.2
109.10146	17.1
111.04453	3.8
111.08055	9.1
113.06003	1.4
115.05435	3.0
117.06998	14.6
118.03180	1.2
119.04969	2.3
119.08569	32.4
121.06485	7.1
121.10141	15.3
123.04477	1.8
123.08066	9.8
123.11701	4.7
125.05996	2.1
125.09613	14.0
127.03907	3.7
128.06175	2.2
129.07001	14.5
130.07825	1.3
131.08549	21.8
133.06508	6.1
133.10118	25.5
134.07271	1.3
135.08057	8.0
135.11696	11.0
137.09631	5.5
141.06934	2.7
142.07738	2.9
143.08572	5.1
145.05006	2.5
145.06427	2.3
145.10110	23.6
147.08067	9.1
147.11678	17.8
149.09608	9.3
149.13245	3.8
151.11185	4.5
153.09061	1.9
153.12816	1.6
155.08549	3.0
157.10110	13.6
159.08083	1.7
159.11626	5.9
161.09624	3.5
161.13295	2.9
163.11165	12.5
165.09097	1.5
165.12715	2.2
169.10153	1.3
169.12225	2.1
171.10274	1.7
171.11697	3.8
173.04518	1.7
173.09570	2.6
173.13222	2.6
175.11191	11.8
177.12791	1.8
181.12238	1.9
183.11697	1.3
185.13225	1.3
189.11215	8.3
191.10704	1.7
191.14188	1.3
193.12238	26.2
193.13905	2.1
195.13780	3.9
205.12276	4.0
209.11760	2.4
211.13284	41.7
219.13628	1.6
223.13252	19.9
227.12762	20.1
227.30911	1.2
249.14822	2.5
253.14171	8.0
255.15637	1.2
257.18936	3.3
259.20505	1.9
267.15903	30.5
267.18643	2.1
269.17380	6.7
273.18475	18.8
275.20038	13.4
283.15396	43.3
285.16946	38.9
286.17371	1.4
291.19525	100.0
292.19763	1.9
331.22470	2.8
347.22070	4.3
349.23724	16.2
365.23218	57.2
366.23462	1.6
437.25284	3.2
445.25748	2.5
453.24774	2.8
459.27347	3.6
461.28964	2.2
463.26785	11.0
466.10062	1.2
477.28461	39.4
478.28281	2.1
483.30612	1.5
485.05301	1.3
495.29376	1.6
517.30286	1.3
529.35168	2.1
539.33832	6.8
542.65564	1.2
557.34711	75.0
558.34845	4.0
575.35724	94.9
576.36206	3.3
621.32953	2.1
716.32281	1.3
719.39587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	5.7
67.05501	77.4
69.03433	14.5
69.07065	30.6
71.05000	14.8
71.23382	5.1
73.02914	7.6
77.03913	2.9
79.05491	90.3
81.03411	28.3
81.07054	88.9
83.01339	13.8
83.04978	30.8
83.08606	28.4
85.02903	36.3
85.06566	4.9
91.03951	12.7
91.05473	100.0
93.07040	97.6
93.07637	3.9
95.04957	24.9
95.08598	49.8
97.02898	23.1
97.06516	18.4
97.10167	9.5
99.04456	7.0
99.08083	6.1
105.07026	83.9
107.04959	16.9
107.08584	54.3
109.02905	4.8
109.06521	19.1
109.10159	16.3
111.04475	6.4
111.08065	11.3
113.09666	2.5
115.05433	3.2
116.06211	3.8
117.07011	33.7
119.08566	61.8
119.09372	3.9
121.06514	9.2
121.10136	38.3
123.04430	4.1
123.08059	15.9
123.11712	5.6
123.13568	2.3
125.05980	3.9
125.09632	7.1
127.03946	11.8
128.06171	2.6
129.05478	6.3
129.07001	20.9
130.07787	4.9
131.08560	36.3
133.06537	3.1
133.10129	46.0
135.08049	10.7
135.11678	37.0
137.09621	6.5
139.22656	2.6
141.06956	4.6
142.07774	4.9
143.08534	12.7
145.04979	7.2
145.06459	3.3
145.10110	51.5
145.11157	4.0
147.11673	42.3
149.09601	17.0
149.13280	16.3
151.11203	2.5
153.12767	3.6
155.08582	7.3
157.10098	12.8
159.11693	24.2
161.13272	20.5
163.06097	3.0
163.11171	41.3
169.10146	4.9
171.11644	12.6
173.09601	6.9
173.13286	12.4
175.14847	7.3
177.12743	4.3
179.14351	3.9
181.12254	7.1
182.97522	2.4
183.11674	5.3
185.13245	8.6
187.14775	4.3
189.11212	6.9
189.12846	2.9
191.10672	8.4
193.12271	3.7
195.13794	8.6
197.13336	4.1
199.14836	7.4
209.11745	15.8
227.12813	20.7
229.19588	2.5
231.21095	3.5
239.18013	3.0
241.19484	13.3
245.13962	3.5
257.19040	11.8
259.17798	2.9
259.20551	53.4
259.23111	4.7
267.15933	5.0
269.17487	27.0
275.20062	22.9
281.17459	5.4
283.15369	99.9
291.19479	3.4
297.22134	5.9
315.23169	6.4
333.24255	29.7
349.23877	17.1
443.57834	2.6
449.30389	6.8
454.12885	2.6
459.27579	3.2
467.31210	2.7
475.30908	2.6
477.28452	67.2
489.28745	3.3
523.34094	9.1
541.35248	69.0
542.35822	3.6
542.71613	3.0
543.36633	6.6
557.34534	14.9
559.36212	13.7
575.35785	8.6
631.86292	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	932.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
67.05504	38.0
69.03419	1.9
69.07066	11.1
69.83548	6.7
71.08633	18.6
73.02911	4.0
79.05496	22.3
81.03429	1.3
81.07053	44.7
83.08613	9.7
85.02909	16.4
85.10183	10.6
91.03944	11.2
91.05471	11.7
93.07039	24.7
95.08606	39.1
95.09089	0.9
97.02911	8.2
97.10156	4.0
100.83144	1.2
105.07034	7.9
107.08590	13.8
109.10157	18.7
111.11725	1.4
117.07017	3.7
119.08589	6.4
119.76694	1.3
121.10130	12.8
123.11710	7.7
127.03899	5.7
131.08556	8.8
133.10143	4.5
135.11671	9.9
137.13252	1.7
145.04933	5.8
145.10077	5.5
147.11702	4.7
147.13644	1.2
147.85341	1.3
149.13249	6.9
159.11655	5.5
161.13242	3.7
162.20551	1.0
163.05983	6.5
163.14847	3.9
173.13309	4.8
175.14828	1.3
177.16364	1.4
187.14754	2.1
201.16302	1.5
226.07620	1.1
233.22717	1.6
239.23718	1.8
243.21133	6.3
257.24832	1.9
261.22128	35.5
270.93170	1.2
313.27350	100.0
314.27805	2.8
317.24869	6.4
335.25790	71.0
336.25919	1.7
499.44980	1.4
509.80289	1.4
573.48798	42.8
579.42621	1.3
591.49799	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	933.556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.0
67.05502	12.1
69.03425	9.6
69.07063	6.2
69.48854	1.2
69.49277	1.2
71.01352	1.2
71.04973	1.3
71.08634	0.4
73.02912	9.8
79.05488	8.6
81.03413	4.8
81.07053	12.5
83.01331	0.4
83.04973	1.1
83.08609	3.3
85.02899	19.6
85.06539	1.0
87.04459	1.2
91.03947	12.2
91.05469	8.2
91.06026	0.6
93.07039	9.4
93.97956	0.3
95.04977	1.5
95.07986	0.5
95.08601	10.8
97.02885	17.5
97.06526	1.4
97.10158	1.9
98.21522	0.4
99.04442	2.2
101.02364	2.6
103.05456	0.5
105.04556	0.4
105.07023	8.3
107.04946	0.8
107.08590	6.7
109.02864	1.4
109.06510	0.7
109.10149	5.3
109.10847	0.5
111.08088	0.9
115.03936	1.4
115.05451	1.2
117.07001	4.6
119.08576	7.1
121.06514	0.5
121.10135	4.4
123.04446	0.4
123.08059	1.0
123.11721	1.2
125.09634	1.1
127.03903	5.1
128.06227	2.0
129.05493	0.8
129.06985	5.5
130.07771	0.4
131.08559	7.3
133.10123	5.0
135.08032	0.6
135.11673	2.9
137.09645	0.3
137.13260	0.3
139.11145	0.4
141.06973	3.3
142.07773	1.3
143.08546	7.7
145.04941	3.6
145.06119	0.4
145.10098	6.4
147.11682	3.3
149.09575	0.4
149.13248	1.1
151.14731	0.4
153.06995	1.3
154.07745	0.9
155.08537	6.9
155.09718	0.5
156.09340	0.8
157.10120	7.5
157.11334	0.5
159.08020	0.5
159.11687	6.0
161.13243	1.9
163.06023	1.2
163.11201	0.5
165.07076	1.0
166.07809	0.8
167.08540	3.3
168.09296	1.0
169.10123	7.6
170.10854	0.7
171.08029	0.4
171.11664	6.3
172.12466	0.5
173.09651	0.5
173.13266	4.1
175.11179	0.4
175.14879	1.2
179.08571	1.5
180.09241	0.9
181.10112	4.1
182.10928	1.0
183.11685	7.9
184.12421	0.7
185.09630	0.4
185.13240	4.5
187.11073	0.5
187.14806	1.6
189.12796	0.3
189.16347	0.8
192.09401	0.4
193.10130	1.8
194.10820	0.4
195.11688	5.5
196.12354	0.5
197.13242	5.9
199.11308	0.3
199.13228	0.7
199.14853	2.7
201.16331	0.9
205.10184	0.6
206.10960	0.4
207.11678	2.1
208.12543	0.4
209.13225	4.8
210.13959	0.6
211.14801	4.8
213.12823	0.3
213.16432	2.4
215.18031	0.4
219.11702	0.8
220.12537	0.4
221.13329	1.8
223.14795	4.1
225.16331	3.5
227.18080	1.5
233.13170	0.8
235.14787	2.6
237.16396	2.6
239.18030	1.7
241.19725	0.5
245.13422	0.6
247.14870	0.6
249.16422	1.0
250.17088	0.3
251.14110	0.3
251.17982	1.3
253.19690	0.8
255.21379	0.3
261.16364	0.5
263.17966	0.7
265.19446	1.0
267.21210	0.7
271.17416	0.4
271.20425	0.6
275.17642	0.3
277.19412	0.7
279.21414	0.4
289.19559	0.5
293.22681	0.7
295.24008	0.4
297.22455	0.6
299.20279	0.5
299.23560	0.4
307.20602	0.6
309.22232	0.6
311.23575	0.4
313.21835	0.3
313.25415	0.5
319.20572	0.4
321.22208	0.9
323.23660	0.6
325.21609	0.5
325.25351	0.6
333.21915	0.4
335.23645	0.7
337.25269	1.0
339.23190	0.5
341.24713	0.5
347.23608	0.4
349.25244	0.7
351.23096	0.4
351.26917	1.2
353.24438	0.5
353.28400	0.4
365.28516	0.9
377.28494	0.6
379.30185	0.9
391.30240	0.5
393.31638	0.5
433.30527	0.5
435.32684	0.6
447.32367	0.5
449.34360	0.5
461.33969	0.5
471.31830	0.5
499.39835	0.4
501.35645	0.8
511.33777	0.6
513.35547	0.5
515.37878	0.6
517.40436	3.9
521.36066	0.5
523.38031	0.4
525.35767	0.9
527.37439	0.7
529.39893	0.6
535.41473	2.1
539.37280	1.8
541.38715	0.9
553.39197	0.3
555.41876	0.4
559.41541	0.4
567.40601	0.7
573.42810	0.4
591.44025	4.4
607.43408	2.9
608.44122	0.4
609.45074	100.0
610.45349	7.4
611.46399	0.8
621.45374	2.3
625.42218	0.5
633.45300	1.1
643.43408	0.5
651.46051	1.9
663.45935	0.5
675.45593	0.7
693.46710	0.5
699.46100	1.2
706.48785	0.4
717.47119	1.9
735.48163	2.6
753.49390	3.5
771.50287	25.8
772.50684	1.8
870.98114	0.4
933.55664	6.6
934.55762	0.4
935.98181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.2
67.05503	60.0
69.03432	5.7
69.07068	20.2
69.80782	2.3
69.81194	1.6
71.01341	1.1
71.02158	0.7
71.04995	5.0
73.02906	2.0
73.06554	1.2
77.03913	1.5
79.05491	76.0
80.05809	1.2
81.03423	14.3
81.07056	66.5
81.84721	0.7
82.85279	0.6
83.04982	17.7
83.08610	12.5
85.02894	6.4
85.06532	3.1
87.04460	0.8
91.03936	2.9
91.05479	63.9
92.05808	0.8
93.07042	74.8
94.07352	0.9
95.04375	1.4
95.04967	20.6
95.05570	1.3
95.08604	36.6
97.02871	5.2
97.06528	15.9
97.10165	8.8
98.21425	1.3
99.04448	1.9
99.08086	1.7
103.05475	1.0
105.04509	3.1
105.07027	52.5
105.14175	0.7
107.04954	11.1
107.08588	33.3
109.02870	1.0
109.06514	7.9
109.10159	9.7
111.04453	1.2
111.08070	3.8
115.05443	2.0
116.57952	0.6
117.07014	16.7
119.08579	31.9
121.06506	4.6
121.10139	12.7
123.04377	0.7
123.08069	6.7
123.11678	2.1
125.09609	4.5
127.03888	3.4
127.07534	1.9
128.06223	3.1
129.07004	15.3
130.07758	1.5
131.08554	13.0
133.06473	1.7
133.10121	22.4
135.08061	3.9
135.11693	10.4
137.09636	3.2
141.06970	1.9
141.09146	0.9
143.08571	10.5
144.09474	0.8
145.04942	1.6
145.06445	1.4
145.10110	18.5
147.08102	3.6
147.11687	39.4
148.11986	0.8
149.09624	9.8
149.13255	6.9
151.11143	1.3
155.08536	2.0
157.10155	3.2
159.08057	1.1
159.11699	9.8
161.09584	4.8
161.13248	11.7
163.11168	7.8
165.12744	1.4
169.10114	3.0
171.11688	25.2
173.04375	3.3
173.09651	1.1
173.11862	0.8
173.13231	3.7
175.11139	1.7
177.12781	3.3
179.14299	2.3
181.12222	1.3
183.11716	2.6
185.13248	1.2
187.11200	0.7
189.11220	1.5
189.12737	10.5
195.13815	2.7
197.13255	1.5
205.12056	0.8
207.13785	24.8
211.13104	0.8
215.18028	0.8
219.13881	0.8
225.14859	2.7
227.12712	5.7
229.14314	1.2
229.19495	1.9
239.17943	3.0
247.20627	1.5
255.15855	4.7
257.18945	7.8
259.20578	0.9
263.13409	0.7
263.16409	1.3
267.15942	1.3
269.17444	10.2
273.18619	0.8
275.16989	1.4
275.20044	25.7
276.20493	1.2
279.15933	2.6
281.17471	80.9
282.17719	1.7
283.15482	0.9
292.65414	0.7
293.21204	1.8
331.22717	2.2
347.21881	0.7
349.23706	20.8
351.18036	0.9
367.24832	2.1
368.49164	0.8
377.23090	1.2
413.21872	1.7
435.27246	4.6
451.26984	6.0
454.50653	0.7
457.29514	2.2
459.31271	1.6
461.29022	25.6
462.29684	1.0
463.46500	0.7
475.30548	100.0
476.31085	3.6
491.29858	1.1
515.33887	1.3
527.37122	1.9
537.35626	4.1
544.96667	0.7
555.36804	59.1
556.37134	2.1
573.38135	9.7
595.30994	1.8
619.35138	4.2
681.40326	0.8
699.41077	1.4
717.41492	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	932.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.5
67.05499	74.5
69.03422	7.7
69.07063	24.6
71.05000	4.8
73.02906	3.1
73.06543	1.0
77.03912	2.0
79.05486	98.5
81.03410	15.9
81.07047	71.7
83.04506	1.0
83.04976	18.2
83.08615	11.1
85.02892	9.8
85.06539	4.9
91.03960	5.1
91.05471	100.0
92.05804	1.5
93.07034	97.7
94.07343	1.2
95.04380	1.7
95.04960	27.6
95.08595	41.1
96.08900	1.1
97.02872	7.8
97.06525	12.0
97.10153	5.1
98.10496	0.9
99.04448	1.8
99.08081	3.5
103.05457	3.1
105.04507	2.3
105.07021	78.1
107.04939	12.7
107.08582	36.1
109.02838	2.4
109.06507	7.9
109.10160	9.3
111.04417	1.3
111.08054	4.0
115.05431	3.4
117.07000	23.3
119.08569	52.7
120.37005	0.8
121.06512	5.9
121.09334	1.5
121.10136	17.9
123.08044	8.0
123.11668	2.3
125.09653	2.0
127.03903	4.7
127.07529	2.0
128.06219	4.5
129.05424	2.6
129.06989	23.9
129.24814	0.8
130.07770	1.9
131.08551	23.2
131.09529	1.4
133.06506	1.6
133.10112	35.4
135.08014	3.1
135.11685	13.8
136.90404	0.8
137.09607	2.4
139.07491	1.3
141.06929	2.0
141.09097	1.0
142.07751	1.7
143.08551	16.3
144.09215	1.2
145.04913	2.7
145.06477	1.6
145.08954	0.9
145.10110	25.4
147.08064	4.4
147.11671	49.4
148.11974	1.0
149.09608	7.2
149.13222	9.6
151.07527	1.0
151.11171	1.1
155.08540	1.7
156.09399	1.3
157.10109	7.1
159.10338	1.1
159.11671	17.7
161.09590	4.9
161.13246	23.0
163.11153	5.0
163.14870	1.9
167.08510	1.8
169.10106	3.8
171.11674	30.1
173.04462	1.9
173.13239	7.8
175.11096	1.6
175.14804	6.1
177.12717	3.9
179.14301	2.5
181.10132	1.5
183.11644	2.9
185.13326	4.5
187.11113	1.2
187.14804	1.3
189.11172	1.4
189.12712	11.2
195.11856	1.0
195.13792	4.1
197.13187	2.4
199.14748	3.1
207.13776	29.1
213.16431	1.1
215.18047	1.2
225.14851	1.5
227.12769	2.5
229.19469	1.4
231.21065	2.5
239.17957	2.7
241.19469	11.5
257.19061	8.3
259.20557	26.8
261.22076	1.1
269.17416	14.1
275.19995	11.3
279.15829	8.3
281.17447	68.7
282.17670	2.4
291.19360	1.4
293.21094	1.6
297.16931	1.8
315.23160	3.0
331.22714	1.5
333.24240	18.9
349.23730	8.7
429.30847	1.3
435.27258	3.1
447.32657	4.7
451.26627	1.5
457.29602	2.2
459.31415	1.3
465.33350	3.1
473.76840	1.0
475.30487	61.5
476.30649	2.3
483.34500	1.9
499.30975	0.9
521.36096	2.1
527.36969	1.4
529.38635	1.4
537.35553	2.0
539.37292	39.6
540.37201	2.0
555.36743	14.5
557.38306	14.4
573.37427	2.5
619.34430	2.0
701.41980	1.1
944.20020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.1
66.66395	1.1
67.05503	46.1
68.05853	1.2
69.03422	2.9
69.07067	11.6
71.04975	3.8
71.08601	1.7
71.51369	1.5
73.02889	2.5
79.05489	42.7
80.81115	1.2
81.03416	31.4
81.07049	50.5
83.04977	9.3
83.08609	17.6
85.02902	16.1
85.06538	4.7
85.10179	1.4
89.67870	1.6
91.03959	5.2
91.05479	36.1
93.07040	43.7
95.04958	15.4
95.08600	28.0
97.02881	6.1
97.06537	5.2
97.10178	6.7
99.08082	2.5
101.02355	1.5
105.07018	26.9
107.04936	4.0
107.08584	25.7
109.06500	3.3
109.10144	13.0
111.04395	1.7
111.08067	6.3
113.05985	1.6
117.07030	8.1
117.07719	1.6
118.61971	1.1
119.08576	19.9
121.06498	2.2
121.10139	21.2
123.08058	4.4
123.11700	5.0
123.63825	1.1
125.09635	4.5
127.03858	1.4
129.05493	1.9
129.06985	8.2
131.08560	20.2
133.06493	2.0
133.10149	14.3
134.89970	1.1
135.08052	1.9
135.11673	15.7
137.09605	2.8
137.13206	1.8
141.06915	2.0
143.08533	3.7
145.10114	12.6
146.83771	1.1
147.08081	2.3
147.11662	13.2
149.09619	5.0
149.13235	8.2
155.08551	1.5
157.10121	10.1
159.11661	7.3
161.13263	6.7
163.11188	3.6
163.14777	6.9
165.12791	2.4
169.10139	2.5
171.11685	3.6
173.13295	6.0
175.11139	6.9
175.14836	3.2
177.16438	3.1
181.12199	1.6
183.11729	1.8
185.13242	2.8
187.14815	3.0
189.16382	2.1
193.12228	16.8
197.13216	1.5
199.14836	1.7
201.16530	1.4
211.13254	16.7
211.15031	2.0
213.16437	1.6
223.14839	1.3
227.12700	2.8
229.14360	3.5
233.22574	1.4
243.21046	13.0
255.15929	4.2
259.20465	1.2
261.18057	1.3
261.22101	25.9
267.15915	17.2
268.75723	1.4
269.49979	1.4
273.21851	1.2
275.20087	1.4
285.16949	24.3
285.21890	1.5
299.23541	1.6
301.25223	3.2
303.23285	1.8
317.24841	3.8
318.06082	1.5
335.25790	34.8
336.26349	1.3
347.25751	1.5
359.25821	1.4
369.24536	1.6
423.27301	1.7
431.28055	1.5
435.27222	2.0
435.32510	8.2
453.33841	8.9
471.34503	3.8
509.36124	4.5
517.39026	3.2
527.37311	57.1
528.37909	1.7
545.38318	100.0
546.38678	2.9
563.38873	1.8
653.39215	2.4
689.42035	2.1
707.44354	1.6
923.44379	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	922.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.1
66.66395	1.1
67.05503	46.1
68.05853	1.2
69.03422	2.9
69.07067	11.6
71.04975	3.8
71.08601	1.7
71.51369	1.5
73.02889	2.5
79.05489	42.7
80.81115	1.2
81.03416	31.4
81.07049	50.5
83.04977	9.3
83.08609	17.6
85.02902	16.1
85.06538	4.7
85.10179	1.4
89.67870	1.6
91.03959	5.2
91.05479	36.1
93.07040	43.7
95.04958	15.4
95.08600	28.0
97.02881	6.1
97.06537	5.2
97.10178	6.7
99.08082	2.5
101.02355	1.5
105.07018	26.9
107.04936	4.0
107.08584	25.7
109.06500	3.3
109.10144	13.0
111.04395	1.7
111.08067	6.3
113.05985	1.6
117.07030	8.1
117.07719	1.6
118.61971	1.1
119.08576	19.9
121.06498	2.2
121.10139	21.2
123.08058	4.4
123.11700	5.0
123.63825	1.1
125.09635	4.5
127.03858	1.4
129.05493	1.9
129.06985	8.2
131.08560	20.2
133.06493	2.0
133.10149	14.3
134.89970	1.1
135.08052	1.9
135.11673	15.7
137.09605	2.8
137.13206	1.8
141.06915	2.0
143.08533	3.7
145.10114	12.6
146.83771	1.1
147.08081	2.3
147.11662	13.2
149.09619	5.0
149.13235	8.2
155.08551	1.5
157.10121	10.1
159.11661	7.3
161.13263	6.7
163.11188	3.6
163.14777	6.9
165.12791	2.4
169.10139	2.5
171.11685	3.6
173.13295	6.0
175.11139	6.9
175.14836	3.2
177.16438	3.1
181.12199	1.6
183.11729	1.8
185.13242	2.8
187.14815	3.0
189.16382	2.1
193.12228	16.8
197.13216	1.5
199.14836	1.7
201.16530	1.4
211.13254	16.7
211.15031	2.0
213.16437	1.6
223.14839	1.3
227.12700	2.8
229.14360	3.5
233.22574	1.4
243.21046	13.0
255.15929	4.2
259.20465	1.2
261.18057	1.3
261.22101	25.9
267.15915	17.2
268.75723	1.4
269.49979	1.4
273.21851	1.2
275.20087	1.4
285.16949	24.3
285.21890	1.5
299.23541	1.6
301.25223	3.2
303.23285	1.8
317.24841	3.8
318.06082	1.5
335.25790	34.8
336.26349	1.3
347.25751	1.5
359.25821	1.4
369.24536	1.6
423.27301	1.7
431.28055	1.5
435.27222	2.0
435.32510	8.2
453.33841	8.9
471.34503	3.8
509.36124	4.5
517.39026	3.2
527.37311	57.1
528.37909	1.7
545.38318	100.0
546.38678	2.9
563.38873	1.8
653.39215	2.4
689.42035	2.1
707.44354	1.6
923.44379	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	920.52
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84754	0.8
65.03925	3.4
67.05498	55.1
67.58488	0.9
69.03423	4.7
69.07059	15.5
70.19304	3.7
71.04988	7.6
73.02904	3.2
77.03920	1.2
79.05020	1.9
79.05486	56.6
81.03410	56.5
81.07047	58.4
83.04973	19.8
83.08609	22.6
84.97230	1.0
85.02900	32.2
85.06513	2.9
86.09659	0.8
91.03942	6.2
91.05470	84.0
93.07034	59.1
95.04961	27.9
95.08595	32.6
97.02882	8.4
97.06504	6.3
97.10159	6.7
99.04459	1.2
99.08059	3.2
99.19257	0.9
103.05424	2.3
105.07019	74.7
106.07341	1.0
107.04945	9.5
107.08578	29.1
109.06525	7.2
109.10138	12.7
111.04414	2.1
111.08064	9.0
113.05984	2.4
115.05454	3.0
117.07008	17.3
118.07741	1.1
119.04933	1.3
119.08568	57.2
121.06496	2.9
121.10125	25.8
123.08076	5.1
123.11697	3.6
125.09592	3.3
127.03908	2.9
127.07547	1.0
128.06206	3.7
129.05492	1.8
129.06985	21.8
130.07777	1.0
131.08545	30.8
133.06508	4.1
133.10117	45.1
134.10435	1.1
134.71312	0.8
135.08035	1.6
135.11673	14.4
137.09604	3.3
141.07010	3.3
142.07767	5.3
143.08548	11.2
145.04883	2.0
145.06473	1.0
145.10115	22.3
146.68015	1.0
147.08052	4.2
147.11671	44.1
149.09608	8.0
149.13243	9.5
151.11140	1.9
153.09148	0.9
155.08514	4.6
156.09290	1.0
157.10109	21.7
159.11665	17.2
161.09608	1.3
161.12004	1.5
161.13242	18.4
163.05988	2.8
163.11171	3.7
163.14775	2.6
165.12744	2.4
167.08524	1.3
169.10107	4.6
171.11656	12.0
173.09566	1.5
173.13240	8.8
175.11172	13.5
175.14809	10.1
177.91365	1.0
181.10101	2.6
181.12131	0.9
183.11685	3.8
185.13245	9.7
187.14792	3.0
189.11160	1.3
189.12648	1.7
189.16359	1.2
191.10667	0.9
193.12218	38.1
194.12549	0.8
195.11644	2.7
195.13501	0.9
197.13252	3.3
199.14824	6.3
201.16359	1.2
203.14317	1.3
207.11559	0.9
211.13255	51.4
213.16354	3.0
215.17982	1.6
217.19476	1.5
223.14827	1.6
227.12636	4.8
229.14287	3.3
231.20964	4.7
237.16315	1.3
241.19496	22.6
243.20982	1.3
247.17001	0.9
251.65451	0.9
257.18979	2.5
259.20557	54.9
260.21063	1.3
261.22220	1.1
265.14478	1.3
267.15845	20.9
269.17395	1.8
275.20047	2.3
277.21588	2.2
283.15417	4.2
283.20547	1.1
285.16919	59.9
286.17169	1.0
297.22107	1.7
299.23712	2.5
301.21512	1.2
305.20828	1.0
315.23190	7.3
325.21701	1.1
331.22800	1.3
333.24194	49.3
334.24442	1.1
335.25967	1.2
339.23227	1.2
353.24622	0.9
395.94608	0.9
415.29755	2.1
423.32568	1.3
433.30991	10.3
451.32037	9.8
469.33356	5.8
505.35129	1.2
507.34610	3.1
515.37451	4.9
525.35669	38.8
526.35492	2.2
543.36755	100.0
544.37122	4.5
561.38232	4.6
585.37292	1.2
633.37445	1.5
651.38318	3.2
669.39490	1.8
687.40308	2.8
731.89319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.8
65.69520	0.7
67.05502	27.3
68.93295	0.6
69.03430	3.5
69.07065	9.2
71.04980	2.9
71.08627	16.8
73.02913	1.1
77.73816	0.7
79.05491	31.1
81.02937	0.9
81.03417	19.7
81.07050	35.9
81.07535	1.8
83.04974	9.3
83.08617	10.9
85.02897	10.1
85.06534	2.1
88.93315	0.7
91.03950	1.5
91.05476	24.4
93.07037	36.3
95.04955	12.3
95.08601	22.5
97.02882	3.4
97.06528	5.5
97.10151	4.0
99.04456	0.9
99.08083	13.0
103.05445	1.1
105.07025	18.1
106.07372	0.7
107.04942	6.2
107.08588	21.0
109.06519	3.5
109.10159	7.3
111.04475	0.9
111.08092	3.5
113.06055	1.4
113.09624	2.7
117.06979	3.5
119.08582	15.1
121.06477	1.7
121.10140	17.8
123.08044	1.9
123.11704	2.0
129.05486	1.0
129.07021	4.5
131.08543	7.4
133.06482	1.5
133.10118	12.5
135.08067	1.2
135.11679	16.4
137.09616	1.8
141.09129	1.7
143.08569	3.0
145.10124	4.8
147.08066	1.3
147.11693	8.2
149.09622	2.9
149.13290	6.7
151.11163	7.8
153.12781	0.9
157.10115	6.8
159.11716	3.1
161.13249	7.2
163.11220	3.9
165.12766	2.4
167.10794	0.9
171.11685	1.7
173.13293	1.1
175.11198	5.3
175.14755	1.6
177.12773	2.4
179.14301	49.5
180.14647	1.8
185.13336	0.9
189.12726	1.4
193.12265	9.4
195.13850	1.4
199.14938	1.2
207.13832	0.8
207.17357	0.9
211.13274	10.8
211.15073	1.1
227.12854	1.5
235.16966	2.5
241.19563	1.6
259.20587	3.4
267.15924	13.0
269.17468	6.0
275.20026	1.4
277.21606	38.8
278.21960	1.1
283.15280	1.0
285.16962	22.2
286.21988	0.8
295.22708	2.7
349.23749	2.1
351.25284	29.6
449.29007	2.0
461.28955	1.1
463.30560	7.7
479.29971	2.0
543.36780	52.5
544.37378	2.5
561.37817	100.0
562.38025	6.5
562.60242	0.9
607.35095	0.8
705.41840	3.1
925.82245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.5
67.05502	48.0
69.03424	4.1
69.07064	15.5
69.77929	1.1
71.04978	4.8
73.02916	3.8
78.33056	1.1
79.05489	51.8
81.03416	43.6
81.07054	48.1
81.07523	1.3
81.16753	1.2
83.04969	13.7
83.08615	17.5
85.02438	2.1
85.02901	24.5
85.06537	4.0
90.99860	1.2
91.03941	6.5
91.05476	71.6
92.05796	1.6
93.07037	51.6
95.04959	20.6
95.08604	30.8
97.02880	5.3
97.06528	5.4
97.10155	5.1
99.08079	2.3
103.05467	1.8
105.07027	70.3
107.04974	6.8
107.08582	26.0
108.08854	1.6
109.02878	2.5
109.06506	3.8
109.10155	12.1
111.04426	1.5
111.08066	8.6
113.06015	2.5
115.05449	3.1
116.06164	1.5
117.07018	16.1
119.08576	58.6
121.06491	2.4
121.10131	21.7
123.08054	3.5
123.11681	4.0
124.99874	1.5
125.09612	3.0
127.03928	1.4
128.06194	1.4
129.05492	1.9
129.07010	16.5
130.07782	1.7
131.08557	30.4
133.06421	2.7
133.10121	43.8
135.08046	2.3
135.11694	15.0
137.09601	2.7
141.06990	2.5
142.07780	4.8
143.08575	8.9
145.04930	1.8
145.06464	1.5
145.10130	18.3
147.08057	2.3
147.11684	42.8
149.09636	7.2
149.13263	9.1
154.14655	1.5
155.08618	2.6
157.10106	22.4
159.11682	18.5
161.09576	2.5
161.13243	22.4
162.20384	1.3
163.06026	1.6
163.11195	3.1
163.14799	3.2
165.12775	2.3
169.10068	3.3
171.11674	14.6
173.13264	10.0
175.11214	9.0
175.14799	12.3
177.12793	1.3
181.10115	1.6
183.11690	3.8
185.13272	12.1
187.14740	4.1
189.12766	1.5
193.12222	26.3
195.11601	1.5
197.13217	4.4
199.14803	6.1
203.14313	1.3
211.13258	37.6
213.16330	3.0
217.15820	1.7
225.16394	1.6
227.12746	1.8
229.14301	3.6
231.21049	6.2
234.36223	1.2
235.14905	1.5
239.18108	1.3
241.19499	25.7
241.21776	2.1
243.21095	2.8
257.19028	1.5
259.20572	70.6
260.20801	1.2
261.22150	2.3
267.15918	18.5
273.18762	1.5
275.19806	1.5
277.21664	2.7
283.15369	4.2
283.20514	1.3
285.16949	47.8
297.22308	2.4
299.23764	2.3
301.21631	1.4
315.23145	8.5
332.32996	1.3
333.24225	58.5
334.24625	2.2
335.25778	1.9
339.23141	1.8
367.22418	2.3
385.23529	1.6
389.26813	1.5
405.31256	1.7
421.26010	1.8
423.25122	1.4
433.31024	7.4
449.29349	1.8
451.32013	10.6
469.32892	5.5
507.34769	3.8
513.35272	1.5
515.37061	4.8
525.35693	41.4
526.35638	2.3
543.36780	100.0
544.37067	8.5
561.37402	4.3
627.36591	1.4
651.38831	2.6
669.39520	2.0
764.35004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
67.05135	2.4
67.05499	47.3
69.03410	5.1
69.07068	14.4
70.86506	3.5
71.04969	5.3
71.08627	17.3
73.02899	2.2
75.56224	1.0
79.05486	49.8
81.03413	33.9
81.07047	59.2
83.04986	15.7
83.08155	1.8
83.08611	20.6
85.02905	20.3
85.06522	2.9
90.84202	1.4
91.03944	2.4
91.05473	40.1
91.06033	2.9
93.07037	50.1
94.07362	1.4
95.04964	20.0
95.08600	31.0
97.02880	4.9
97.06534	7.8
97.10155	5.3
99.08088	15.2
105.07023	31.3
107.04950	10.6
107.08580	32.8
109.06532	6.1
109.10159	9.2
111.04419	2.0
111.08081	6.5
113.05994	2.2
113.09629	2.0
117.06989	7.5
119.08575	23.5
121.06496	3.1
121.10147	20.2
123.08038	2.7
123.11694	3.2
125.09633	3.3
127.03873	2.4
129.05481	1.5
129.06981	7.9
131.08556	12.7
133.06470	3.1
133.10112	17.7
135.10715	1.6
135.11693	21.7
137.09641	3.4
141.09081	2.7
142.07758	1.6
143.08496	2.6
145.10115	5.3
147.08011	2.7
147.11655	12.9
149.09622	5.2
149.13261	8.7
151.11197	10.8
157.10120	11.6
159.11681	4.9
161.13223	9.7
163.11147	6.5
163.14751	1.5
165.12747	2.3
171.11678	2.3
173.13156	1.4
175.11150	7.6
177.12706	2.4
179.14293	51.7
184.07477	1.2
185.13225	2.0
189.12766	2.0
193.12239	20.4
195.13864	1.5
211.13269	20.1
221.15486	1.5
235.16977	1.7
241.19521	1.8
249.14825	1.5
259.20493	4.0
267.15900	32.8
269.17456	8.9
275.19992	1.8
277.21600	36.9
285.16928	58.7
291.19348	1.1
295.22626	3.4
349.23679	2.9
351.25272	30.6
352.25562	1.7
373.18747	1.3
429.21661	1.2
445.29004	1.7
449.29019	2.4
461.29205	1.7
463.30496	14.9
479.29947	2.9
543.36780	72.2
544.37341	2.8
561.37830	100.0
562.37891	4.9
705.40594	1.7
784.80505	1.6
857.39539	1.3
895.72992	1.3
922.68213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.2
67.05502	64.2
69.03423	6.4
69.07069	14.6
71.04996	3.2
73.02921	8.1
79.05491	49.8
80.06242	1.1
81.03417	15.3
81.07052	55.0
82.04198	3.1
83.04977	11.4
83.08615	14.3
84.05792	0.8
85.02391	0.8
85.02902	18.9
85.06528	2.8
91.03954	9.1
91.05475	37.4
93.07039	50.0
94.07818	1.3
95.04961	16.2
95.08602	38.2
96.04472	1.2
97.02884	13.1
97.06528	7.6
97.10157	12.8
98.07307	5.8
98.21515	2.8
99.04465	1.9
99.08091	1.7
101.06027	0.8
105.04519	1.2
105.07027	23.8
107.04946	4.5
107.08588	32.7
109.02896	1.2
109.06513	2.8
109.10148	20.0
111.04443	1.7
111.08068	5.5
111.11656	1.1
113.06052	0.8
115.05472	1.3
115.07603	0.8
116.04711	10.6
117.05473	1.0
117.07005	10.2
119.08569	19.2
120.09382	1.2
121.06503	2.2
121.10143	22.6
123.08057	5.0
123.11710	5.9
125.09633	12.5
127.03891	3.8
127.11237	1.3
128.06227	1.1
129.05481	25.4
129.06956	6.0
131.08542	14.7
133.06508	1.0
133.10124	18.0
135.08051	2.5
135.11679	14.7
137.09599	2.8
137.13271	1.6
139.07474	0.9
139.11197	1.3
143.07036	6.6
143.08499	1.8
143.10663	2.4
145.04926	4.3
145.10120	11.4
147.08057	1.4
147.11687	11.9
149.09616	3.0
149.13229	7.8
151.11211	1.3
153.09068	1.2
153.12741	1.2
155.08545	1.6
157.08598	14.7
157.10100	5.9
159.11688	6.8
159.32382	0.9
161.13243	5.8
163.06029	4.5
163.11157	3.2
163.14815	2.1
165.12761	1.6
169.10162	1.4
171.06538	1.5
171.10162	4.8
171.11667	2.4
173.09583	1.2
173.11778	2.1
173.13272	5.8
175.11157	4.2
175.14867	2.2
177.16313	1.0
177.41028	0.9
183.11743	1.0
184.07246	1.1
185.11665	1.2
185.13176	1.5
187.14806	2.6
189.11154	4.4
191.10703	1.0
193.12221	9.2
199.13286	2.8
200.13953	1.6
201.16444	1.2
209.11722	2.1
211.13196	5.2
217.14348	1.2
227.12732	7.3
229.14317	3.3
229.19646	1.0
231.20970	0.9
243.21103	3.6
255.15898	1.3
259.20532	2.7
261.22098	13.4
267.15845	5.9
269.17502	2.0
275.20151	1.0
277.21634	5.4
280.84601	1.0
283.15390	2.4
285.16910	2.8
299.23691	1.9
301.16434	59.2
313.21820	1.0
317.24774	2.6
333.24240	1.4
335.25781	73.2
336.26111	2.0
351.25330	1.6
389.26788	1.4
421.13580	0.9
489.35754	1.4
492.18237	0.9
527.37103	5.8
543.36951	2.4
545.38043	2.6
561.37823	100.0
562.38361	4.7
579.38519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.3
67.05502	59.1
69.03434	4.4
69.06734	1.2
69.07066	15.6
70.04174	1.1
71.01350	1.1
71.05001	4.4
71.08631	1.4
71.51266	0.9
71.51722	0.9
73.02906	7.2
79.05492	47.0
81.03421	15.8
81.07052	59.2
82.04176	2.7
83.04966	10.5
83.08608	11.4
85.02899	18.1
85.06517	3.4
91.03958	9.3
91.05479	33.0
93.07040	48.1
95.04964	15.9
95.08607	38.3
96.08967	1.0
97.02877	12.7
97.06516	8.0
97.10167	11.0
98.07293	4.0
99.04430	1.6
99.08069	2.5
105.04533	0.9
105.07021	27.1
107.04939	4.1
107.07896	2.0
107.08591	32.3
109.06503	3.1
109.10146	19.1
111.04444	1.5
111.08073	5.2
113.05975	1.4
115.03864	0.8
115.05418	1.2
116.04705	9.4
117.05479	1.3
117.07009	8.9
119.08575	21.9
120.64863	0.9
121.06470	1.2
121.10126	22.8
123.08057	6.0
123.11713	6.9
125.09637	13.1
127.03895	3.3
127.11140	2.0
129.05486	27.6
129.06923	5.9
131.08559	17.1
133.10123	15.7
135.08015	3.6
135.11679	15.3
137.09583	2.2
137.13205	2.1
139.11194	1.5
143.07057	4.9
143.08559	2.5
143.10654	1.3
145.04929	3.4
145.10117	10.7
147.07990	1.0
147.11685	14.3
149.09569	3.5
149.13211	6.7
153.09076	1.3
157.08589	11.4
157.10098	7.0
159.11671	7.3
161.13261	4.8
163.05984	3.2
163.11195	3.6
163.14833	3.5
165.12732	1.3
169.10106	1.1
171.06493	1.5
171.10152	3.4
171.11597	1.6
173.09558	1.0
173.11810	2.1
173.13248	5.6
174.23474	1.0
175.11180	5.3
175.14767	1.8
177.77994	0.9
181.10179	1.2
181.12138	1.2
183.11732	1.0
185.11742	1.9
185.13254	1.9
187.14844	2.8
189.11224	6.2
193.12234	8.7
199.13251	4.4
199.14915	1.4
200.14078	1.1
209.11725	2.8
211.13208	5.6
217.14250	1.2
227.12738	8.8
229.14278	2.0
241.19440	1.3
243.21136	4.3
255.15831	1.0
259.20621	2.6
261.22131	12.7
267.15872	6.6
269.17514	1.1
277.21606	5.0
283.15329	3.1
285.17014	2.9
301.16464	58.2
302.16815	1.6
315.23328	1.4
317.24780	2.2
333.24280	1.6
335.25784	70.4
336.26108	2.4
341.69821	1.0
351.25330	2.8
463.30304	1.6
489.35989	1.3
527.37158	6.4
543.36542	3.8
544.37274	1.3
545.38074	3.1
561.37842	100.0
562.37976	3.6
579.38257	1.6
865.85419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.0
67.05501	64.0
69.03431	2.6
69.07065	17.2
69.18495	1.5
69.18824	13.3
71.04982	3.7
71.08635	1.6
73.02923	1.5
73.06531	1.1
77.03900	1.6
78.76879	1.0
79.05488	91.0
81.03406	6.7
81.07049	63.1
83.04972	10.2
83.08609	9.9
85.02882	5.8
85.06545	3.0
87.47131	1.0
91.03947	2.6
91.05474	95.2
93.07036	86.7
95.04959	19.7
95.08596	38.2
97.02893	3.7
97.06516	6.0
97.10155	3.5
99.04485	1.4
99.08097	2.9
103.05461	2.2
105.04554	2.1
105.07021	84.2
107.04969	7.5
107.08576	32.5
109.06509	6.9
109.10146	11.4
111.08080	2.2
113.09695	1.4
115.05441	2.6
117.07008	22.3
119.08569	63.5
121.06520	3.1
121.10134	20.5
123.08051	5.2
123.11690	2.9
127.03921	1.6
127.07545	1.8
128.06230	4.7
129.06990	25.0
130.07779	1.3
131.08557	21.6
133.06442	1.4
133.10117	42.8
135.08063	2.6
135.11665	15.3
137.09618	1.5
141.06987	2.5
142.07849	1.2
143.08551	18.6
145.05048	1.2
145.10112	26.3
147.08040	4.2
147.11671	64.2
149.09549	1.9
149.13249	9.3
151.11182	2.1
155.08534	3.3
156.09308	2.1
157.10101	9.2
159.08176	1.1
159.11687	19.6
161.09669	5.4
161.13246	33.5
163.06020	1.3
163.11191	2.8
163.14799	3.6
167.08650	1.4
169.10110	3.6
171.11676	28.5
173.13248	11.7
175.14818	12.2
177.12692	2.1
179.14252	2.0
181.10036	1.5
183.11665	3.3
184.07175	1.1
185.13254	9.0
187.11230	2.2
187.14796	4.4
189.12733	9.1
195.11780	2.1
197.13336	3.1
199.14851	5.4
207.11823	1.4
207.13756	18.5
211.14722	1.3
213.16365	2.3
215.17950	1.9
217.15919	1.3
223.14842	1.7
231.17545	1.4
231.21054	4.9
239.18027	1.4
241.19490	25.5
257.18994	4.0
259.20538	64.7
261.22144	2.8
274.01584	1.2
275.20139	1.6
277.21817	2.1
279.15891	18.2
281.17444	71.5
282.17761	1.1
283.18954	2.1
285.38174	1.2
297.17044	2.1
315.23099	6.6
325.21317	1.2
331.22711	1.6
333.24210	41.9
429.31229	1.4
437.34134	2.1
447.32556	8.7
457.27075	1.4
464.64197	1.3
465.33475	7.4
483.34628	5.0
521.36255	5.3
529.38556	3.4
539.37262	100.0
540.37610	2.4
557.38293	33.1
647.39301	2.2
665.40143	1.9
672.58472	1.3
701.42316	2.0
716.77808	1.2
954.85486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.5
67.05502	11.8
68.71586	0.4
69.03423	2.2
69.07065	7.0
69.36275	1.2
69.36684	3.1
71.04964	1.5
71.08631	19.0
73.02880	1.9
79.05495	7.1
81.03415	56.1
81.07051	16.0
82.03709	0.6
83.04976	3.3
83.08615	17.2
85.02904	5.3
85.06503	1.4
85.10176	10.7
89.05985	1.5
91.03955	3.9
91.05475	9.9
93.07041	6.1
95.04964	16.2
95.08604	18.6
96.08892	0.5
97.02889	4.2
97.06499	1.5
97.09643	0.6
97.10163	5.2
99.08070	0.8
99.11742	0.7
103.03874	0.5
103.07507	1.2
104.32684	0.5
105.07022	7.4
106.07275	0.6
107.04927	3.0
107.08581	3.9
109.06532	2.1
109.09394	0.5
109.10152	8.6
110.10474	0.6
111.04410	1.4
111.07382	0.5
111.08075	5.1
111.11650	1.2
115.05424	0.8
117.07003	1.1
119.04987	0.5
119.07816	0.6
119.08577	8.0
119.14944	0.4
121.06469	1.6
121.10127	6.0
122.10432	0.9
123.04390	1.5
123.08036	1.3
123.11703	3.1
125.09560	0.5
127.03920	0.6
128.06192	0.5
129.07005	5.7
131.04881	0.4
131.08562	5.4
133.06468	1.8
133.10139	4.2
135.08044	0.7
135.11646	2.2
137.09572	1.7
137.13213	0.9
142.07732	1.8
145.04889	1.3
145.10065	1.6
147.04433	0.5
147.08025	1.7
147.11679	5.8
149.09601	3.4
149.13245	1.1
151.36043	0.5
153.09061	0.6
157.10133	6.7
161.13226	0.7
163.06010	2.7
163.11143	1.3
163.14832	1.2
164.15160	0.6
165.12730	1.6
165.16435	0.5
171.11676	0.6
175.11200	7.2
175.14830	0.8
177.16376	0.9
187.14655	0.5
189.12801	0.4
189.16379	1.8
190.16716	0.6
191.16235	0.4
191.17917	1.9
192.18301	0.7
193.12239	23.4
194.12553	0.8
201.16444	0.4
203.18008	2.2
204.18250	1.0
211.13231	1.1
235.13211	1.8
239.23663	1.6
249.14815	1.4
249.18677	0.5
257.24722	1.8
259.13327	1.3
267.15906	100.0
268.16406	2.5
273.14737	1.1
301.14377	2.5
309.16977	3.4
313.27350	91.8
314.27762	3.1
319.15433	0.6
333.16916	0.8
367.48590	0.4
405.13516	0.7
411.36166	0.6
429.21661	0.5
439.35684	1.2
440.36163	0.6
457.36749	5.3
458.37119	4.6
458.87701	0.5
469.20532	0.5
505.38870	79.5
506.39288	3.8
523.39520	1.3
547.39923	5.1
589.40466	0.8
601.40894	2.2
613.40985	2.0
631.42010	1.5
649.43109	1.1
868.51917	0.5
914.51807	5.0
916.88654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.9
67.05501	13.0
69.03407	2.6
69.07068	6.3
71.04977	2.4
71.08254	0.8
71.08634	14.6
71.44097	1.1
71.67121	0.6
73.02892	2.1
76.19716	0.7
79.05495	8.4
81.03415	28.2
81.07055	15.8
83.04973	6.4
83.08614	14.4
83.09068	0.6
85.02903	17.6
85.06528	0.9
85.10186	9.0
91.03951	4.9
91.05478	12.1
93.07046	6.3
95.04962	10.9
95.08603	14.8
97.02890	5.1
97.06508	1.2
97.10159	5.4
99.08079	1.3
99.11709	0.8
105.07032	9.2
107.04933	2.6
107.08582	3.4
109.06549	2.1
109.10175	5.9
111.04419	0.9
111.08072	5.6
111.11731	1.2
113.05981	1.6
117.06977	1.0
119.08578	8.6
121.06512	0.8
121.10129	4.3
123.08091	0.9
123.11687	2.3
127.03892	1.9
129.07002	5.3
131.08583	4.3
133.06464	1.6
133.10100	4.9
137.09578	1.0
137.13275	1.4
142.07764	1.1
145.04964	2.4
147.08064	1.0
147.11705	7.6
147.44128	0.8
149.09657	2.6
157.10101	7.5
163.06046	2.7
163.11188	0.9
165.12759	1.7
175.11174	7.8
191.39159	0.8
193.12242	24.9
194.12610	1.0
197.98553	0.7
211.13277	39.7
212.13646	1.4
250.00273	0.7
267.15915	16.5
267.26602	0.8
271.97571	0.6
285.16953	62.1
285.27863	1.4
286.17239	2.3
341.30490	57.5
342.30881	2.2
404.09424	0.9
467.37234	0.8
533.41956	13.5
551.43042	100.0
552.43475	7.7
655.31293	0.8
894.47083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.0
66.65088	0.6
66.66231	0.6
67.05499	20.2
69.03425	4.0
69.07066	21.4
69.19120	7.1
71.04980	3.9
71.08621	3.0
73.02911	2.6
79.05492	15.5
81.03407	37.0
81.07048	26.8
83.04974	9.1
83.08612	24.1
83.09116	0.8
85.02900	23.3
85.06546	1.7
85.10184	0.7
91.03943	6.6
91.05470	16.7
93.07031	15.6
95.04954	13.2
95.08601	20.0
97.02891	6.9
97.06534	3.8
97.10165	9.0
99.04450	0.9
99.08098	1.0
105.07020	12.1
107.04932	4.3
107.08578	8.2
109.06482	3.4
109.10157	7.8
111.04425	1.1
111.08074	7.2
111.11699	2.7
113.06001	1.4
115.05408	1.0
117.07021	0.9
119.08561	11.0
121.06493	1.1
121.10131	10.9
123.08062	2.0
123.11719	2.7
125.09664	1.5
127.03905	2.2
129.06984	6.1
131.08545	7.2
132.08064	0.7
133.06508	1.1
133.10109	6.7
135.11662	5.2
137.09592	0.6
137.13258	1.1
138.38370	0.7
139.11226	0.8
142.07774	2.3
145.04945	2.6
145.10091	1.3
147.08051	1.5
147.11668	8.8
149.09587	3.7
149.13290	1.9
153.17632	0.7
157.10117	9.4
163.06050	2.2
165.12709	2.5
175.11163	10.8
175.12576	0.8
191.17879	1.0
193.12236	27.1
197.34572	0.6
211.13268	41.9
265.25278	1.6
267.15918	14.3
285.16931	62.0
301.70764	0.7
321.24515	0.6
339.28909	56.4
340.29260	1.6
387.97629	0.7
531.40417	15.1
532.41309	1.0
549.41455	100.0
550.41864	4.0
908.49768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02589	0.6
65.03941	2.8
67.05502	47.0
68.05814	0.9
69.03426	4.5
69.07060	13.9
71.01360	0.9
71.04996	5.7
73.02920	4.4
77.03929	0.7
79.05016	1.4
79.05488	35.8
81.03416	50.2
81.07051	48.3
83.04978	12.8
83.08614	19.0
85.02901	27.7
85.06525	2.2
87.04455	1.5
91.03955	7.8
91.05476	33.9
93.07040	38.5
95.04961	20.4
95.08605	29.1
97.02901	8.3
97.06512	4.4
97.10168	4.8
98.21156	4.2
99.04465	1.1
99.08085	2.0
102.49551	0.9
105.04501	1.0
105.07029	27.6
106.05653	0.7
107.04962	5.1
107.08588	19.8
109.02880	1.1
109.06514	4.1
109.10146	13.1
111.04447	1.9
111.08081	8.3
113.05983	1.7
115.05415	1.6
117.06998	5.0
119.04904	1.0
119.08575	21.4
121.06512	1.8
121.10135	15.5
123.08044	3.4
123.11678	4.3
125.09619	2.2
127.03915	1.6
128.06187	0.8
129.05504	0.9
129.06996	9.1
131.08566	15.4
133.06538	2.2
133.10132	14.5
135.08066	1.5
135.11702	7.7
137.09587	1.3
137.13307	0.9
142.07773	2.8
143.08568	1.0
145.04961	3.1
145.10101	5.7
147.08052	2.3
147.11697	15.1
149.09624	4.6
149.13239	3.8
153.12683	1.0
157.10141	11.4
159.11676	3.9
161.13289	3.0
163.06030	2.8
163.11214	1.3
163.14767	1.4
165.12720	3.4
171.11664	0.8
173.11946	0.8
173.13205	3.9
175.11166	10.2
175.14766	0.9
177.16325	1.0
187.14859	1.1
189.11263	0.8
193.12233	33.0
195.11754	0.8
211.13275	57.6
212.13522	1.1
227.12872	1.7
243.21072	2.7
261.22095	9.9
267.15878	13.4
285.16953	73.8
286.17340	1.3
317.24820	2.3
335.25778	62.0
336.26270	2.1
341.03207	0.7
435.32379	1.6
438.47876	0.8
453.33557	2.4
471.34793	1.1
527.37201	12.7
545.38361	100.0
546.38483	4.4
747.49969	1.0
771.57196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	1.9
67.05500	38.1
69.03432	3.8
69.07064	10.0
69.52923	3.7
70.84142	0.4
71.04996	2.9
71.05305	0.6
73.02900	2.6
79.05487	31.8
81.03414	37.2
81.07050	40.0
83.04508	0.7
83.04971	9.2
83.08616	14.3
85.02899	23.8
85.06504	2.1
87.04412	0.7
91.03956	5.2
91.05476	26.9
93.07034	31.9
95.04960	16.8
95.08601	28.0
97.02887	6.3
97.06510	3.4
97.10174	3.3
99.04397	0.7
99.08035	1.3
103.11182	0.6
104.34146	0.4
105.04472	0.8
105.07024	17.9
106.94518	0.5
107.04938	3.6
107.08588	16.4
109.02785	0.5
109.06493	3.2
109.10143	10.0
111.04409	1.3
111.08075	5.6
113.05982	1.1
115.05405	0.9
117.07008	3.5
119.04944	0.5
119.08575	16.4
121.06484	0.9
121.10133	14.4
123.08022	2.0
123.11694	3.3
125.09589	1.6
127.03876	2.2
129.05493	0.8
129.06990	6.5
131.07639	0.8
131.08560	11.2
133.06413	1.8
133.10118	10.8
135.11681	6.7
137.09576	1.7
137.13234	0.9
142.07709	1.9
145.04898	2.2
145.10107	5.7
147.07982	1.8
147.11678	11.5
149.09622	3.4
149.13219	4.1
151.14799	0.7
155.08418	0.8
157.10130	7.8
159.11694	3.2
161.13254	2.7
163.05960	2.4
163.11174	0.6
163.14767	1.7
165.12666	1.8
171.11671	0.9
173.13225	2.3
175.11166	8.1
175.14719	1.0
177.16356	0.9
184.07220	0.6
187.14803	1.1
188.76559	0.5
193.12234	23.7
201.16241	0.8
211.13274	33.1
212.13618	0.8
227.12746	1.6
243.21074	1.6
249.14853	0.7
259.73782	0.5
260.41129	0.5
261.22104	8.6
261.40561	0.5
267.15891	10.1
267.20636	0.5
285.16940	41.7
286.17307	1.1
317.24783	1.9
335.25775	64.2
336.26175	2.2
435.32565	1.5
453.33664	2.0
471.34579	1.3
483.91296	0.5
527.29077	0.6
527.37256	13.7
545.38336	100.0
546.38641	5.7
634.10999	0.5
882.85352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.4
67.05502	46.7
69.03419	2.8
69.07064	11.3
69.19875	19.7
71.01366	2.2
71.04990	4.3
71.08611	2.5
73.02926	5.2
74.06940	1.5
74.59922	1.3
79.05489	37.3
81.03420	18.4
81.07053	51.3
83.01347	7.6
83.04972	14.8
83.08628	15.6
85.02908	18.8
85.06564	3.1
85.10179	1.4
91.03949	11.5
91.05478	23.8
91.19469	1.7
93.07038	53.3
95.04968	12.3
95.08610	32.9
97.02893	12.4
97.06528	6.3
97.10162	4.8
105.07027	20.8
107.04960	8.5
107.08585	28.8
109.06525	8.0
109.10137	15.7
111.04420	3.7
111.08078	4.5
111.11738	1.9
117.07020	11.8
117.07733	1.8
119.08584	17.3
121.06515	4.9
121.10136	15.0
123.08060	10.3
123.11697	5.0
124.29274	1.5
125.05898	2.6
125.09638	4.5
127.03931	4.1
128.06187	1.7
129.06976	3.0
131.08556	15.4
133.10107	9.9
135.08057	2.9
135.11678	19.8
136.06180	5.3
137.09627	2.0
137.13235	1.9
143.08586	2.1
145.04973	3.4
145.10124	18.6
147.08047	2.3
147.11685	6.8
149.09660	2.2
149.13274	6.0
153.12740	2.4
154.63753	1.7
155.08554	1.9
159.11693	7.1
161.13290	3.6
163.05988	4.8
163.11192	20.7
163.14825	2.6
173.09593	1.9
173.13234	4.3
181.12128	1.8
189.11191	3.9
191.10619	3.9
193.12204	3.9
209.11693	8.3
227.12738	11.1
241.19574	2.6
243.21150	4.2
258.08841	1.8
259.20694	1.9
261.22104	16.2
267.15948	12.4
268.16248	5.4
283.15396	100.0
284.15915	3.3
299.23645	4.3
313.27368	6.7
314.27756	5.1
317.24658	5.3
333.24240	2.9
335.25781	72.8
336.26129	4.6
405.30261	1.6
451.31787	3.3
469.32834	2.2
506.39359	2.9
507.39532	5.5
525.35669	5.6
543.36823	66.9
544.36981	5.0
552.28723	1.9
561.37823	6.0
761.51721	1.9
903.49365	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	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63466	0.6
65.03894	2.7
67.05503	38.7
67.05834	1.6
69.03386	2.7
69.07066	11.4
71.01318	0.9
71.04979	3.7
71.08617	1.5
73.02923	4.5
79.05488	33.5
81.03419	13.3
81.07052	48.7
83.01344	6.8
83.04981	9.8
83.08177	1.0
83.08612	12.7
85.02904	18.3
85.06495	2.2
85.10137	1.1
86.36502	0.7
91.03948	9.4
91.05471	23.2
93.07040	43.3
95.04966	7.6
95.08603	33.1
97.02877	10.0
97.06521	5.2
97.10172	4.6
99.04445	3.1
99.08061	1.4
103.05422	1.0
105.04495	1.0
105.07030	15.8
107.04947	7.5
107.08588	25.5
109.02837	2.0
109.06510	5.7
109.10148	15.4
111.04400	1.9
111.08086	3.7
115.03889	0.9
117.07010	9.1
119.08577	16.7
121.06426	2.6
121.10141	21.3
123.04424	0.9
123.08072	6.5
123.11714	4.3
123.12423	1.0
125.05956	1.2
125.09614	3.9
125.66779	0.6
127.03897	4.5
129.06926	2.0
130.07771	1.2
131.07613	0.8
131.08553	11.8
133.10120	9.6
135.04477	0.7
135.08018	2.5
135.10738	1.2
135.11688	19.5
136.06152	1.2
137.09598	1.5
137.13185	1.3
141.06944	0.8
143.08528	1.2
145.04970	5.4
145.05963	0.7
145.06494	0.7
145.10101	17.9
147.07999	2.5
147.11690	6.5
149.09528	1.1
149.13269	5.8
153.12714	2.9
155.08534	1.8
157.10088	1.9
159.11674	6.4
161.13275	4.9
163.04771	0.7
163.06015	7.4
163.11168	19.3
163.14810	3.8
165.08987	0.7
165.12685	0.8
169.10156	0.7
171.11598	1.3
173.09546	2.7
173.13248	6.0
175.11143	1.3
175.14778	2.0
180.08611	0.8
181.12201	3.4
183.11702	1.1
185.13205	1.1
187.14781	3.7
189.11172	3.1
189.16402	0.8
191.10637	2.7
193.12193	2.9
197.13196	1.6
209.11679	7.0
211.13255	1.6
227.12743	12.1
229.14339	0.9
229.47614	0.8
241.19633	0.9
243.21046	6.5
245.13708	0.9
259.20532	1.8
261.22113	18.6
267.15869	8.2
268.16248	2.9
269.16470	1.1
275.20053	1.3
277.21667	0.9
279.23248	0.9
281.18979	0.8
283.15384	100.0
284.15762	2.0
285.16666	0.7
286.06320	0.7
299.23703	5.6
301.21460	1.0
313.27213	3.6
314.27643	4.0
315.27948	1.6
317.24725	6.2
333.24188	3.5
335.25781	96.6
336.26053	2.9
355.26556	0.8
415.29761	0.7
433.31146	2.2
451.31866	4.5
463.07251	0.7
466.13528	0.7
469.33032	3.3
487.33871	1.5
505.39041	1.7
506.39319	2.7
507.39578	2.8
515.37476	1.1
525.35669	7.2
543.36804	95.9
544.37103	6.9
561.37787	6.6
752.56537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75162	0.6
69.03425	1.5
70.20403	2.8
70.20744	0.8
85.02906	3.5
88.04556	0.6
88.05206	0.8
97.02895	1.3
101.00889	3.1
103.88398	0.8
105.06930	0.7
109.02869	1.1
119.01915	13.4
121.01657	1.1
127.02431	1.6
127.03887	2.3
131.01881	3.1
137.02934	1.9
139.03902	1.3
143.01892	12.1
145.03481	9.6
145.04610	1.0
145.05045	0.6
149.02975	1.1
153.01837	3.1
153.03990	1.1
155.01884	7.8
157.03461	3.2
159.05057	1.5
161.02959	18.9
162.03024	0.8
163.02759	0.9
163.04515	2.5
167.01910	3.8
169.02046	1.4
169.03459	13.5
171.05072	6.8
173.02965	15.4
174.03046	0.8
175.02776	0.9
175.04604	1.0
179.01939	2.8
181.03471	1.6
183.05060	1.1
184.04486	1.3
185.02945	29.7
186.03139	1.7
187.02902	1.3
187.04515	19.4
188.04813	1.1
189.02422	1.1
191.03958	1.6
196.04515	1.7
197.02940	14.7
199.02834	0.9
199.04593	2.0
203.03989	11.3
207.03452	1.0
208.04565	1.4
210.06068	1.0
211.04454	2.6
213.02428	1.5
213.06081	0.8
215.04016	14.2
221.05080	1.9
227.04001	8.5
229.05568	0.8
231.03394	3.7
233.05011	1.4
238.05666	0.9
239.03905	1.2
245.05074	100.0
246.05269	5.8
247.04730	3.7
249.04414	0.9
257.05081	5.5
258.05219	0.7
261.02728	1.0
263.06146	13.7
271.06723	1.0
273.04379	0.9
273.08185	1.1
275.02603	3.8
275.06094	54.2
276.06430	2.2
277.03384	1.0
286.07690	1.6
287.02887	1.1
287.06100	5.4
293.03873	1.5
293.07083	6.9
299.05969	1.1
303.01389	0.8
305.07086	16.9
306.07339	0.9
316.08853	2.3
317.07187	1.8
323.08047	1.0
329.02478	0.8
333.06476	1.0
335.04413	0.9
335.08185	12.2
347.08072	1.4
359.08276	1.0
365.09299	28.2
366.09457	2.3
367.09158	2.7
377.05240	1.7
377.09290	2.4
383.10422	1.9
386.12665	0.9
395.06232	4.2
395.11057	1.6
411.11456	0.8
425.11414	32.5
426.11563	2.2
437.11258	2.9
441.09180	0.8
455.12445	4.5
485.13074	3.2
489.60034	0.9
495.11847	1.1
539.14856	1.8
545.15588	1.0
556.99432	1.0
557.02728	1.4
557.14777	17.4
558.15509	1.6
869.15607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.7
65.75165	0.2
67.05502	14.9
68.14361	0.2
69.03426	4.5
69.07066	7.2
70.04205	0.3
70.31805	0.6
70.32190	0.4
71.01323	0.6
71.04985	1.7
71.08629	15.7
73.02909	5.3
75.04462	0.4
77.63961	0.2
79.05489	9.2
79.82544	0.3
80.06223	0.5
81.03413	6.4
81.07051	13.6
82.04203	3.0
82.07814	0.3
83.01295	0.4
83.04982	5.4
83.08616	9.5
84.02094	0.5
85.02898	9.9
85.06510	0.8
85.10178	9.4
87.04447	0.8
89.05981	0.8
91.03443	0.5
91.03950	6.6
91.05473	7.7
93.07042	6.6
94.04170	0.3
94.07803	0.7
95.04961	6.5
95.08603	13.0
96.04480	0.4
96.05729	0.4
97.02322	0.5
97.02888	6.7
97.06509	3.6
97.10160	11.8
98.07310	3.9
99.04417	0.9
99.08067	0.8
99.11713	0.6
101.05973	0.8
103.05425	0.3
103.07515	0.9
105.07027	3.8
107.04960	2.3
107.08582	5.7
109.02846	0.6
109.06499	1.4
109.10151	8.1
110.07246	0.3
111.04416	0.7
111.08064	2.3
111.11668	0.9
113.05949	0.5
113.13287	0.3
115.03897	0.6
116.04703	9.0
117.07021	1.6
117.09136	0.4
118.07755	0.3
119.08588	3.0
120.09389	0.3
121.06509	0.6
121.09414	0.3
121.10136	2.4
122.76823	0.2
123.08052	2.9
123.11719	2.2
125.05923	0.3
125.09618	8.2
125.13271	0.3
126.10378	0.5
127.03927	2.5
127.11143	0.9
127.14671	0.3
129.05469	23.0
129.06856	1.6
131.08556	2.6
133.06520	0.3
133.10120	2.6
135.08084	1.5
135.11687	2.1
136.08783	0.3
137.09636	1.3
137.13213	0.8
143.07027	6.1
143.10651	0.7
145.04965	2.5
145.10124	1.7
147.08009	0.7
147.11655	2.1
149.09567	1.1
149.13173	0.3
151.14798	0.5
153.09109	1.4
153.12715	0.6
157.08560	11.1
157.10052	2.2
158.05713	0.8
163.06012	3.1
163.11171	1.9
164.11974	0.6
165.12750	0.8
166.09825	0.4
167.07014	0.3
171.06523	2.0
171.10158	3.5
173.09604	0.3
173.11668	0.5
175.11162	1.2
181.12207	0.8
184.07364	0.4
184.35045	0.3
185.08138	0.6
185.11710	1.4
189.11223	6.1
191.10686	0.5
192.11320	0.4
193.12227	2.6
199.09576	0.4
199.13303	3.2
200.14059	2.3
201.18483	0.3
205.39424	0.3
209.11702	1.4
210.12437	1.1
211.13263	1.0
213.11140	0.7
213.14914	0.4
217.14322	0.6
223.13145	0.3
227.12772	10.5
228.13402	0.6
229.14330	1.1
239.16457	0.3
239.23685	2.9
255.15881	1.8
257.24731	1.2
265.14273	0.5
267.15909	4.4
269.17389	0.5
283.15390	2.2
284.16241	0.9
292.40762	0.3
301.16437	100.0
302.16861	2.3
303.76083	0.3
311.22095	1.0
313.27347	63.8
314.27780	2.6
331.28387	0.6
345.88724	0.3
367.28458	3.3
380.76492	0.3
381.29880	0.5
395.31494	1.8
409.32947	0.7
437.35986	0.6
438.37021	1.2
455.37701	0.4
467.37238	1.8
505.38834	4.2
521.38409	1.6
522.39105	2.1
539.39398	67.8
540.39661	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	898.536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.2
65.21395	1.0
67.05504	21.0
69.03430	3.5
69.07072	11.1
69.17784	1.0
69.65813	1.8
69.66229	4.4
70.41724	1.1
71.04983	2.0
71.08630	20.7
73.02914	4.0
79.05489	12.5
81.03417	8.8
81.06603	1.2
81.07058	18.8
82.04188	2.3
83.04967	8.8
83.08623	10.2
85.02906	12.4
85.10188	12.5
91.03947	7.7
91.05473	9.8
93.07038	11.5
95.04961	8.4
95.08602	19.6
97.02874	10.5
97.06525	3.4
97.10162	8.0
98.07332	2.2
99.04436	1.6
105.07036	4.5
107.04967	4.8
107.08596	8.6
109.02924	1.3
109.06538	1.7
109.10147	9.2
109.72834	1.0
111.04429	3.0
111.08061	3.1
111.11738	1.4
116.04697	5.8
117.07011	2.8
119.08559	3.6
121.06468	1.7
121.10128	4.7
123.08080	2.5
123.11697	2.9
125.09658	5.9
127.03896	3.8
129.05467	11.7
129.07025	2.8
131.08571	2.7
132.09183	1.0
133.10117	3.3
135.08009	1.0
135.11707	5.0
136.08781	1.1
143.07062	2.8
145.04964	2.6
145.10072	4.7
147.08061	1.7
147.11714	1.6
149.09540	1.8
150.10420	1.0
157.08604	5.3
157.10115	3.0
159.84192	1.0
163.06056	2.9
163.11189	5.4
163.30600	0.9
165.12772	1.3
171.06520	1.5
171.10194	1.9
173.09677	2.1
175.11270	1.2
181.12279	1.7
189.11227	2.6
191.10612	2.1
199.13330	1.7
209.11699	7.6
227.12801	5.8
229.14418	1.5
239.23669	2.8
255.15993	1.6
257.24710	1.3
267.15927	3.1
283.15378	42.9
284.15887	2.0
284.59647	1.1
301.12973	1.8
301.16440	38.8
313.27350	86.7
314.27750	3.9
339.31808	1.1
367.28363	3.8
374.55612	1.1
505.38971	3.1
521.38367	27.5
522.38763	4.3
539.39410	100.0
540.39490	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	894.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05505	26.0
69.03431	3.9
69.07068	8.6
70.76867	1.2
70.77209	1.7
71.04994	1.4
71.08302	1.1
71.08636	14.0
73.02905	3.2
79.05492	15.7
81.03413	7.1
81.07053	21.5
83.04967	3.5
83.08617	9.4
85.02902	11.8
85.06544	1.4
85.10184	7.9
89.06046	0.8
91.03961	8.2
91.05478	8.7
93.07043	14.6
95.04972	11.7
95.08603	14.4
97.02899	5.7
97.06521	2.5
97.10171	9.8
99.04464	2.0
105.07014	4.1
107.04966	4.5
107.08594	8.2
109.02840	1.4
109.06507	2.4
109.10160	9.5
111.08040	2.0
111.11769	0.9
117.07005	6.0
119.08562	2.7
121.06506	4.0
121.10132	3.3
123.08046	1.5
123.11729	2.5
125.09614	8.9
127.03899	2.3
131.07738	0.8
131.08559	5.1
133.10126	2.9
135.08057	2.9
135.11743	1.4
141.06982	1.1
145.04967	2.8
145.10121	2.8
149.13258	1.7
153.09129	0.9
159.11719	5.0
163.06030	3.2
169.10083	1.2
177.12732	2.3
187.11209	2.6
189.11192	6.9
201.25169	0.8
205.12299	4.5
223.13277	32.1
227.12810	4.8
229.14430	2.7
239.23711	1.4
279.15842	2.9
297.16959	100.0
298.17374	2.4
313.27344	58.5
467.37381	5.3
507.39911	1.0
535.39929	51.7
536.39996	1.3
553.41052	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	890.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87436	1.0
65.03921	3.7
67.05502	100.0
68.05818	1.6
68.31569	1.0
69.03425	7.2
69.07065	46.1
71.04990	6.1
71.53055	1.0
73.02906	1.5
77.16570	1.1
79.05489	51.0
80.05765	1.3
81.03425	11.2
81.07052	74.1
82.07370	1.2
83.04981	8.6
83.08611	17.0
85.02893	4.6
85.06548	5.6
86.09698	2.5
91.04904	2.4
91.05476	49.9
93.07037	51.7
95.04962	11.4
95.08604	40.9
97.02879	4.1
97.06526	19.0
97.10155	11.0
99.04459	1.7
99.08091	1.7
103.05447	1.3
105.04530	1.5
105.07025	36.9
107.04941	10.9
107.07884	1.9
107.08588	32.1
107.09312	2.1
108.24287	1.1
109.02851	1.6
109.06522	9.3
109.10151	44.9
111.08070	6.9
113.09632	1.9
114.90106	1.0
115.05446	3.2
117.07017	16.0
119.08575	32.0
120.08897	1.1
121.06492	5.5
121.09332	1.8
121.10140	17.0
123.08040	5.6
123.11707	5.8
124.99960	1.8
125.05918	1.1
125.09649	7.4
127.03873	2.3
128.06218	1.0
129.05440	2.6
129.06964	6.5
130.07802	1.2
131.08562	18.7
133.06468	3.5
133.10117	24.8
135.08061	6.4
135.11703	11.1
137.09619	10.7
139.11163	1.8
141.06961	2.9
143.08566	6.6
145.09084	1.4
145.10127	16.0
147.08066	2.6
147.11694	11.9
149.09601	17.4
149.13269	8.5
151.11134	1.9
155.08539	2.9
155.10693	2.6
157.10091	6.4
159.08073	1.6
159.11670	13.6
161.09679	2.3
161.13252	5.5
163.11188	9.7
165.09117	1.7
165.12743	1.8
169.10095	4.1
171.10353	1.5
171.11589	5.7
173.09595	1.5
173.10361	1.2
173.11714	11.5
173.13271	4.9
175.11183	3.2
177.12721	4.1
179.14319	4.6
183.11620	2.0
184.07382	8.4
185.13246	2.1
187.11142	2.2
189.11168	5.4
189.12686	2.6
191.14188	1.0
193.12265	2.6
195.11813	1.4
195.13766	3.0
197.13203	2.5
199.13074	1.4
199.14861	2.1
201.12836	2.0
211.13197	2.2
217.15852	1.3
225.30856	1.2
227.12714	8.4
229.14348	21.5
229.19472	2.5
233.15334	1.3
239.17947	3.5
245.13857	1.6
247.20554	4.0
253.18085	1.3
255.15898	2.9
257.18991	7.1
267.15945	2.9
269.17429	12.2
273.18448	3.9
275.20062	38.1
291.19577	5.8
293.21115	4.2
318.21423	1.0
323.66281	1.2
331.22864	1.1
347.63232	1.2
349.23743	30.2
365.23178	4.7
366.08337	1.3
367.24783	6.6
373.18167	1.3
383.24380	11.0
397.26135	1.4
409.25726	1.5
423.27411	10.2
439.26871	1.4
445.29272	1.3
449.28546	1.7
461.54141	1.3
463.30600	2.9
484.74442	1.3
503.33755	13.9
519.32806	1.2
521.34564	2.0
529.35193	2.5
543.36914	15.3
559.36353	1.8
561.37439	2.7
623.43066	6.9
641.44788	5.2
716.25745	1.4
773.89313	1.3
781.46680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66119	1.5
65.03929	4.9
67.05502	100.0
69.03413	6.3
69.07068	26.9
71.01349	2.4
71.04990	8.8
71.51080	2.6
73.02900	5.9
73.93587	1.4
79.05490	62.9
81.03412	21.7
81.07050	81.1
83.04977	13.2
83.08612	15.6
85.02538	1.7
85.02906	17.3
85.06522	5.5
87.04453	4.0
91.05474	60.1
91.58741	1.5
92.05772	2.3
93.07039	59.6
95.04964	19.8
95.08607	35.8
97.02876	11.6
97.06509	14.3
97.10164	13.7
99.04444	2.1
99.08083	4.7
103.05476	2.1
105.07024	45.3
107.04955	6.4
107.08590	34.0
109.06506	9.1
109.09404	2.6
109.10147	52.9
111.04447	2.8
111.08080	5.8
115.05410	2.4
117.07014	16.4
119.08578	38.4
121.10149	21.9
123.08088	8.2
123.11742	2.0
125.09627	14.2
127.03933	2.3
128.06271	3.3
129.05475	4.1
129.07019	9.9
131.08565	20.6
133.06464	3.0
133.10126	26.5
135.08038	4.7
135.11696	10.7
135.12608	2.1
137.09586	6.5
139.07539	2.7
143.08525	7.1
145.06500	2.1
145.10144	16.5
147.11679	19.8
149.09608	6.1
149.13245	12.0
153.12872	2.1
155.08409	2.8
157.10094	5.5
159.11705	13.0
161.09590	3.3
161.13217	9.8
163.11182	15.2
169.10046	2.7
171.11659	8.3
173.09615	1.7
173.11711	14.3
173.13268	5.7
175.11172	1.9
175.14786	3.0
177.12706	3.1
181.12192	2.7
183.11636	2.3
185.13197	2.0
187.11197	2.2
187.14818	2.0
189.12726	2.5
191.10564	3.0
193.12236	1.9
195.13736	3.2
197.13382	2.6
199.13268	6.6
201.12686	2.0
206.47292	2.0
207.13737	3.5
209.11629	4.0
227.12607	3.6
229.14346	29.4
229.19380	2.0
241.19450	7.1
259.20551	15.0
267.15839	4.1
269.17480	11.5
275.20102	12.7
277.21570	2.8
281.17480	10.0
301.16534	2.3
317.13019	1.7
321.16687	1.9
333.24240	14.8
335.25800	8.2
349.23679	6.9
399.23685	7.1
423.27286	17.7
435.27255	5.5
503.33304	2.5
529.38818	9.7
530.38855	2.0
593.36713	13.2
888.50104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96378	1.1
63.90222	1.3
65.03941	3.6
67.05507	100.0
69.03428	10.1
69.07070	75.9
69.27964	10.8
69.28377	3.2
71.01369	2.2
71.04989	8.7
72.80067	1.3
73.02892	1.6
77.03953	1.6
79.05494	60.7
81.03423	11.5
81.07057	67.8
83.04986	9.2
83.08626	15.9
85.02911	8.6
85.06537	4.1
91.05482	60.7
93.07043	55.6
95.04979	17.8
95.08610	48.9
97.02907	8.3
97.06533	23.3
97.10168	12.8
99.04431	1.9
99.08093	4.1
103.05494	1.7
105.04546	1.2
105.07030	45.1
107.04962	12.8
107.07887	2.2
107.08600	37.7
109.02931	1.8
109.06522	6.6
109.10155	42.3
111.04429	2.2
111.08082	5.8
113.06006	2.4
113.09620	2.8
115.05455	2.2
116.04698	1.4
117.07023	17.9
118.85426	1.3
119.08587	39.1
121.06483	6.4
121.10134	19.6
123.08117	7.8
123.11691	3.4
125.09632	10.9
127.03949	2.0
128.06230	2.4
129.05481	5.0
129.07002	8.3
131.08566	23.9
133.06493	3.6
133.10135	23.5
135.08057	5.8
135.11707	12.1
137.09622	14.8
137.13261	1.3
139.07491	2.0
141.06985	2.2
142.07742	1.3
143.08572	6.5
143.19867	1.3
145.06380	1.2
145.10132	17.0
147.08101	3.2
147.11716	13.2
149.09622	26.4
149.13280	5.3
151.11176	4.4
153.08997	1.3
155.08559	3.9
155.10664	1.9
157.08736	3.0
157.10141	6.5
159.08018	1.7
159.11705	14.8
161.09625	4.0
161.13254	8.7
163.11185	14.2
163.14845	2.0
165.09087	2.0
165.12669	1.9
169.10143	2.8
170.65753	1.5
171.10191	3.2
171.11705	7.0
173.09563	1.9
173.11731	10.4
173.13261	9.9
175.11148	4.5
175.14905	2.1
177.12747	3.3
179.14275	6.7
181.12286	1.9
183.11627	3.3
184.07391	1.6
185.09625	1.5
185.13297	3.0
187.11179	2.8
187.14803	2.5
189.11182	5.7
189.12718	2.4
193.12154	2.0
195.13837	3.5
197.13097	2.7
199.13310	1.6
203.14218	1.6
219.13777	2.1
223.13258	3.3
227.12747	7.9
229.14308	15.1
229.16287	1.6
229.19524	3.9
239.17906	3.7
241.19531	1.5
245.13870	1.7
247.20659	2.9
253.17921	2.6
255.15785	2.3
255.90828	1.4
257.19019	8.2
259.20709	2.3
269.17477	4.1
270.20566	1.4
273.18652	4.8
275.20062	35.0
291.19586	7.8
293.21112	3.2
313.22061	1.7
315.23050	1.4
318.01413	1.3
321.24561	2.5
326.15997	1.4
331.22714	2.8
333.24292	2.9
349.23718	37.5
365.23270	3.1
383.24350	2.9
407.28220	1.4
423.27405	4.5
445.29367	4.1
503.33456	5.3
513.36249	1.8
527.37097	5.3
543.36755	2.0
623.43378	7.7
625.44897	1.5
673.31543	1.6
769.18329	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	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.6
67.05502	100.0
69.03427	9.2
69.07068	26.4
71.01331	2.1
71.04985	5.8
71.28082	1.8
73.02909	1.8
79.05493	51.2
81.03418	22.9
81.07052	69.6
83.04978	14.0
83.08613	20.7
85.02913	12.0
85.06534	7.2
87.04444	3.5
91.04906	2.1
91.05478	44.5
93.07041	47.8
95.04967	15.8
95.08598	31.4
97.02896	6.7
97.06527	11.6
97.10163	13.8
99.04440	1.6
99.08089	3.4
101.02367	1.2
101.38482	1.0
103.03944	1.5
103.05455	1.7
105.04510	1.3
105.07027	31.3
107.04948	11.2
107.08587	32.0
109.02848	1.2
109.06528	7.8
109.10148	55.7
110.10502	1.2
111.04408	2.7
111.08109	7.0
113.06012	1.3
115.05443	1.6
117.07024	16.9
119.08577	25.7
121.06489	6.1
121.10137	14.8
123.08075	5.6
123.11692	2.9
125.06012	1.5
125.09620	13.8
127.03882	3.0
129.05458	4.6
129.06999	7.4
130.07773	1.6
131.08545	18.2
133.06459	2.0
133.10124	22.0
135.08096	5.6
135.11682	17.3
135.21820	1.1
137.09631	5.5
139.11180	1.1
141.09047	1.5
143.08553	5.4
143.10683	2.6
145.06496	1.8
145.10121	15.2
147.08066	2.3
147.11678	10.1
149.09621	11.8
149.12234	1.3
149.13248	8.2
151.11154	3.3
153.12720	3.9
155.08549	2.7
155.10614	2.9
157.10100	5.7
159.11681	11.9
161.09578	1.2
161.13239	3.9
163.11174	14.2
163.14838	2.0
165.09193	1.3
165.12660	1.9
169.10132	2.6
171.10281	1.9
171.11688	4.2
173.04378	1.5
173.09509	1.9
173.11723	16.7
173.13246	3.9
175.11209	3.0
175.14839	1.6
177.12733	4.1
179.14314	2.7
181.12259	4.3
183.11632	1.2
185.13210	1.5
187.11205	1.6
187.14754	2.2
189.11249	4.0
191.10686	3.1
193.12215	3.2
195.11909	1.4
195.13780	4.4
199.13258	6.2
199.14873	2.0
201.12718	1.3
209.11664	8.6
211.13229	2.7
227.12698	9.9
229.14323	35.7
229.19418	1.8
239.17982	2.3
247.20392	2.6
253.14207	2.1
255.15919	12.0
257.18991	4.3
259.20529	2.9
261.15005	1.2
267.15994	6.2
269.17502	21.5
275.20038	22.3
283.15381	4.0
291.19531	1.9
293.21042	2.7
301.16504	10.5
333.24237	2.7
349.23721	18.5
367.24887	2.0
393.26395	2.0
399.23758	14.7
409.25827	6.2
423.27438	21.7
477.28271	3.0
481.28024	1.8
495.29321	6.9
503.33734	9.0
521.34796	1.9
559.35785	1.9
575.35352	3.6
579.35095	3.4
593.36792	23.2
594.37402	1.7
673.43085	5.3
691.43512	3.3
737.41241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.7
67.16299	0.3
69.03424	3.1
69.07069	1.2
69.80140	0.2
70.88095	0.2
71.01345	0.5
71.04997	0.7
71.08617	1.4
73.02911	3.9
78.16571	0.3
79.05507	1.9
79.88986	0.3
81.03407	3.5
81.07054	3.4
83.04974	0.7
83.08611	1.3
85.02895	7.1
85.10181	1.0
87.04488	0.3
91.03944	4.1
91.04465	0.3
91.05470	2.5
93.07047	1.7
95.04987	0.8
95.08605	2.1
97.02887	5.5
97.06537	0.3
97.10172	0.4
99.04456	0.6
101.02375	1.8
103.03952	0.6
105.07033	1.5
107.04953	0.5
107.08587	0.7
109.02905	0.9
109.06528	0.5
109.10163	1.5
111.08083	0.4
115.03999	0.5
119.08611	1.2
121.09313	0.3
121.10169	0.8
123.11684	0.5
127.03919	2.0
129.07028	0.4
131.08589	0.6
133.10114	1.5
134.72914	0.3
135.11684	0.3
143.08470	0.3
145.04948	0.6
145.10109	0.4
147.08087	0.3
147.11696	1.2
157.10197	0.5
159.11769	0.3
175.11214	0.7
185.04248	0.9
193.12323	1.3
203.05305	0.9
211.13300	0.9
212.20813	0.3
236.18396	0.3
243.08369	2.3
244.59711	0.3
251.12650	0.5
253.14394	0.6
269.17596	0.5
292.34576	0.3
295.39957	0.3
307.15234	0.8
313.27475	1.2
335.25830	0.4
347.09503	2.9
363.09500	0.4
365.10693	1.1
405.13620	5.4
420.06259	0.3
469.20422	8.6
470.20920	0.6
497.30814	5.2
505.92401	0.4
529.38934	0.9
631.25677	7.2
631.35748	0.5
632.26001	0.4
659.36060	4.2
725.44543	2.4
887.49670	100.0
888.49969	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	885.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21843	2.6
65.03954	3.6
67.05502	56.8
69.03424	24.9
69.07064	23.8
71.04978	9.3
71.08625	24.7
71.51371	3.9
73.02895	3.8
79.05493	60.8
81.03414	99.4
81.06595	4.5
81.07054	74.8
83.04967	26.0
83.08622	27.1
85.02911	23.0
85.06545	3.9
91.05476	53.7
93.06488	5.3
93.07041	70.1
95.04975	29.8
95.08607	46.0
97.02897	26.7
97.06525	12.1
97.10168	11.5
97.44160	3.1
99.04443	8.4
99.08086	27.2
105.07034	40.3
107.04964	16.0
107.08595	38.7
109.02879	11.6
109.06524	9.7
109.10166	19.1
111.04449	8.1
111.08078	11.7
117.07028	12.7
119.08585	35.5
121.06477	4.4
121.10139	32.4
123.04463	3.2
123.08075	5.8
123.11700	4.6
125.09616	7.9
127.03923	21.1
129.05489	5.3
129.07008	15.2
131.08545	23.1
133.06433	3.0
133.10120	23.3
135.07999	5.8
135.11682	30.4
137.09612	5.1
139.11180	2.7
141.07091	2.7
141.09126	4.1
142.07823	4.0
143.08546	8.1
145.04993	4.8
145.06436	2.7
145.10115	10.0
147.07999	5.6
147.11659	20.2
149.05930	3.0
149.09581	7.9
149.13248	7.9
151.11163	14.0
153.12706	2.7
157.10193	13.0
159.11717	4.2
161.13287	14.0
163.11159	10.0
163.14908	3.6
165.09172	2.5
165.12701	4.6
169.10129	3.6
171.11581	4.0
173.04477	9.2
173.13257	3.7
175.11148	13.7
175.14848	3.7
177.12778	3.0
179.14304	67.6
185.13257	3.6
189.11145	3.3
189.12741	5.3
193.12228	31.5
207.13776	3.3
211.13286	38.8
218.32275	2.6
227.12692	5.3
229.14371	6.9
235.16904	4.5
250.14154	2.6
259.20575	4.5
267.15912	53.9
277.21616	73.1
285.16974	19.1
351.25314	57.6
355.17343	3.6
411.20007	10.2
429.21075	31.2
447.27399	3.6
543.36835	100.0
544.36932	3.7
561.37823	42.0
623.33740	3.9
651.39233	3.7
687.40472	4.8
705.42017	63.1
706.41376	4.3
918.85590	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	885.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21843	2.6
65.03954	3.6
67.05502	56.8
69.03424	24.9
69.07064	23.8
71.04978	9.3
71.08625	24.7
71.51371	3.9
73.02895	3.8
79.05493	60.8
81.03414	99.4
81.06595	4.5
81.07054	74.8
83.04967	26.0
83.08622	27.1
85.02911	23.0
85.06545	3.9
91.05476	53.7
93.06488	5.3
93.07041	70.1
95.04975	29.8
95.08607	46.0
97.02897	26.7
97.06525	12.1
97.10168	11.5
97.44160	3.1
99.04443	8.4
99.08086	27.2
105.07034	40.3
107.04964	16.0
107.08595	38.7
109.02879	11.6
109.06524	9.7
109.10166	19.1
111.04449	8.1
111.08078	11.7
117.07028	12.7
119.08585	35.5
121.06477	4.4
121.10139	32.4
123.04463	3.2
123.08075	5.8
123.11700	4.6
125.09616	7.9
127.03923	21.1
129.05489	5.3
129.07008	15.2
131.08545	23.1
133.06433	3.0
133.10120	23.3
135.07999	5.8
135.11682	30.4
137.09612	5.1
139.11180	2.7
141.07091	2.7
141.09126	4.1
142.07823	4.0
143.08546	8.1
145.04993	4.8
145.06436	2.7
145.10115	10.0
147.07999	5.6
147.11659	20.2
149.05930	3.0
149.09581	7.9
149.13248	7.9
151.11163	14.0
153.12706	2.7
157.10193	13.0
159.11717	4.2
161.13287	14.0
163.11159	10.0
163.14908	3.6
165.09172	2.5
165.12701	4.6
169.10129	3.6
171.11581	4.0
173.04477	9.2
173.13257	3.7
175.11148	13.7
175.14848	3.7
177.12778	3.0
179.14304	67.6
185.13257	3.6
189.11145	3.3
189.12741	5.3
193.12228	31.5
207.13776	3.3
211.13286	38.8
218.32275	2.6
227.12692	5.3
229.14371	6.9
235.16904	4.5
250.14154	2.6
259.20575	4.5
267.15912	53.9
277.21616	73.1
285.16974	19.1
351.25314	57.6
355.17343	3.6
411.20007	10.2
429.21075	31.2
447.27399	3.6
543.36835	100.0
544.36932	3.7
561.37823	42.0
623.33740	3.9
651.39233	3.7
687.40472	4.8
705.42017	63.1
706.41376	4.3
918.85590	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	886.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.4
67.05500	18.3
69.03427	3.5
69.07069	4.2
71.04990	3.5
73.02927	1.3
79.05485	20.0
81.03411	88.6
81.06593	1.3
81.07050	21.6
83.04974	11.6
83.08614	19.8
85.02896	13.0
85.06529	1.6
91.03931	2.7
91.05012	0.4
91.05475	28.2
93.07034	14.7
95.04962	29.6
95.08602	8.6
97.02888	4.9
97.06531	2.6
97.10162	6.6
98.20721	1.2
99.04459	0.7
105.07021	19.5
106.70544	0.6
107.04955	8.6
107.08577	7.2
109.02885	0.9
109.06501	4.2
109.10149	4.2
111.04446	2.2
111.08070	7.4
113.05997	1.9
115.05444	2.0
117.07027	3.4
119.04951	1.5
119.08573	17.6
121.06496	5.6
121.10139	8.3
123.04413	1.4
123.08071	2.9
123.11655	0.9
125.09582	4.1
129.06990	13.2
131.04868	1.2
131.08548	12.2
133.06470	4.5
133.10124	7.9
135.08046	1.9
135.11668	0.8
137.09592	2.2
141.06970	1.1
142.07793	2.8
143.08553	1.9
145.06491	5.4
145.10083	3.3
147.04385	1.7
147.08025	4.1
147.11679	10.6
149.09608	7.2
151.11198	0.7
155.08534	1.8
157.06485	1.2
157.10127	13.4
157.11351	1.2
159.08031	0.9
159.10202	0.7
159.11636	0.8
161.06090	1.0
161.09662	1.1
163.06015	0.8
163.11208	1.6
165.12819	3.0
169.10185	0.9
171.08083	1.0
171.11678	1.5
173.09644	0.7
175.11189	11.7
183.11633	0.8
187.11235	0.7
189.11186	1.2
193.12233	29.9
194.12471	0.8
195.11667	1.6
197.09735	0.9
197.13307	1.1
205.12199	1.0
211.11308	1.1
211.13252	11.5
215.14261	0.7
229.16090	0.8
233.15475	0.9
235.13347	0.7
237.12703	1.0
249.14873	2.5
255.13828	2.3
267.15891	100.0
268.16211	2.7
273.14786	5.2
285.16971	9.9
301.14264	0.9
309.16821	0.9
319.15417	0.7
339.22989	1.1
341.21109	1.8
349.21622	2.7
357.24341	1.3
367.22617	8.0
385.23734	10.5
403.24753	2.2
408.31345	0.7
433.25787	18.0
434.26041	1.0
441.26315	8.5
459.27374	80.1
460.27731	3.8
477.28442	43.0
478.28769	2.2
491.29761	1.0
501.28275	1.9
509.30579	0.9
519.29803	3.1
543.29047	1.0
573.30920	1.1
585.30328	2.1
603.31024	1.1
621.32251	1.1
744.60632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.2
68.99785	10.3
69.70582	8.8
81.03394	4.3
82.42482	1.5
89.03930	2.3
93.03374	2.1
95.04952	2.2
98.21647	1.5
107.04936	5.9
109.02863	4.2
111.00804	12.6
111.04428	13.4
118.94001	1.7
119.04994	1.9
121.02864	2.7
123.04423	62.7
127.03913	74.0
131.04913	3.0
133.02887	2.9
133.06380	1.6
135.04416	42.3
137.02321	3.7
137.05971	2.4
139.03894	79.2
140.04248	2.4
147.04395	7.4
149.02362	9.5
151.03893	40.5
153.01810	3.2
155.03328	3.2
159.04420	4.3
161.02310	1.8
161.05986	5.1
163.03902	36.1
164.04448	1.7
165.05484	5.9
167.03424	4.3
169.05020	2.8
169.06444	1.5
173.05956	3.8
175.03882	6.9
177.05467	9.4
179.03377	40.8
181.04886	2.0
183.04488	1.7
185.05853	1.7
187.03838	3.8
189.05464	5.1
189.75397	1.6
191.03404	13.3
191.06972	2.0
193.04929	2.6
197.05885	3.7
199.03938	3.8
201.05441	10.0
203.03406	22.5
205.04893	3.6
213.05487	5.5
215.03430	3.5
217.04951	6.2
219.06363	2.2
221.04538	2.2
223.02490	3.6
225.05437	1.6
229.04973	11.3
231.02742	2.4
231.06541	5.9
233.04463	7.3
241.04880	4.7
243.06538	4.0
245.04437	100.0
246.04721	3.1
247.06007	53.5
253.04771	2.6
257.04419	16.8
258.05298	3.2
259.02197	2.6
259.06009	9.1
261.07538	3.8
263.05554	11.8
269.04401	7.5
271.06000	15.6
273.07462	2.2
275.05493	36.1
277.03476	7.3
281.04501	2.4
283.06033	3.4
287.05521	36.8
289.07074	26.1
291.08710	14.7
295.06058	3.2
297.03992	2.6
299.05493	15.6
301.07028	5.3
303.01260	3.2
303.08667	2.0
305.06708	11.5
317.06555	13.9
321.07623	1.7
323.05386	2.3
329.06369	2.3
351.04984	3.6
377.06339	2.3
389.06409	2.1
393.05893	5.5
397.09268	10.3
405.05908	5.8
407.07562	8.8
409.09299	12.0
423.07077	15.8
425.08704	15.4
427.10150	6.5
435.07062	3.3
437.08600	3.4
441.08307	7.7
443.09750	17.2
445.25156	1.7
453.07932	5.0
469.11307	2.8
539.90826	1.7
545.10675	4.6
557.10657	2.4
595.14233	4.5
700.81281	2.1
713.13495	2.5
715.16382	1.9
731.15369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.2
65.01116	0.5
67.05499	9.9
69.03402	1.4
69.07059	7.1
71.04956	1.2
71.08624	14.5
71.52898	0.6
71.53270	0.7
73.02879	1.7
79.05488	11.1
81.03389	1.9
81.07047	14.8
83.04942	2.2
83.08168	0.6
83.08607	8.9
85.02876	4.1
85.06510	0.6
85.09741	0.7
85.10173	8.4
89.05996	0.9
91.03933	1.0
91.05483	4.2
93.07034	18.6
95.04916	2.6
95.08596	28.6
97.02863	3.8
97.06474	2.4
97.10129	2.4
99.04419	2.3
103.07555	0.8
105.07048	3.2
107.04943	4.5
107.07886	0.9
107.08580	14.1
109.02893	0.8
109.06469	1.6
109.10137	4.7
111.04430	0.9
113.05967	0.9
117.07023	4.8
119.08549	4.9
121.06483	3.0
121.10136	7.7
123.11626	2.0
125.05933	1.2
127.03900	0.7
130.07687	0.6
133.10068	1.7
135.08026	0.9
135.11679	27.3
139.07574	1.0
143.08472	0.7
145.10106	15.7
153.12694	0.8
163.05981	0.8
163.11168	37.2
173.09526	0.7
181.12241	6.6
209.11728	1.7
227.12761	40.4
239.23665	1.6
239.26089	0.6
257.24734	1.8
267.75974	0.5
283.15375	83.0
313.27335	84.0
314.27679	1.7
521.38324	100.0
522.38654	3.7
679.77216	0.6
820.15887	0.8
897.19012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
67.05500	14.8
69.03429	3.3
69.07062	6.7
69.93022	1.3
71.01328	0.3
71.04980	2.5
71.08627	15.9
73.02917	3.0
79.05486	11.6
81.03410	34.4
81.07047	20.3
83.04972	8.4
83.08611	18.8
85.02898	21.7
85.06543	1.4
85.10175	10.0
87.04450	0.5
89.06011	0.8
91.03954	6.4
91.05471	15.2
93.07036	7.9
95.04959	13.7
95.08600	15.7
95.57784	0.3
96.04541	0.3
96.05194	0.2
97.02878	7.0
97.06522	1.5
97.07066	0.3
97.10162	5.0
99.04454	1.1
99.08076	0.8
99.11707	0.7
101.02373	0.3
103.07571	0.6
105.04499	0.3
105.07022	9.6
107.04945	3.9
107.08575	3.8
109.02852	0.4
109.06522	2.8
109.10146	7.6
111.04445	1.1
111.08070	6.5
111.11718	0.7
113.06005	1.5
115.03934	0.6
115.05425	0.7
117.07007	0.8
117.09156	0.3
119.04967	0.3
119.08570	9.3
121.06477	0.7
121.10122	4.5
123.08041	1.5
123.11685	2.9
125.09620	1.1
127.03895	2.4
129.06993	5.4
131.08549	6.1
133.06477	1.4
133.10112	6.5
135.11694	0.6
137.09607	1.1
137.13243	0.7
142.07767	1.9
145.04955	2.6
145.10120	0.9
147.08058	1.9
147.11676	9.2
149.09627	3.5
149.13188	0.2
151.11156	0.3
151.14819	0.3
157.10110	8.8
163.05995	2.9
163.11227	0.5
165.12746	2.0
165.16370	0.4
175.11162	9.5
176.11607	0.2
193.12225	29.9
194.12575	0.3
210.93846	0.2
211.13269	43.9
212.13626	0.8
239.23689	2.0
249.14825	0.4
257.24686	1.2
267.15891	15.8
268.16000	0.3
284.84167	0.3
285.16931	60.9
286.17331	1.0
313.27332	62.5
314.27713	1.6
377.22726	0.2
429.21097	0.3
505.38840	14.4
506.39182	0.4
523.39893	100.0
524.40204	4.5
593.03656	0.3
667.44043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.5
67.05502	11.8
67.89594	0.3
69.03430	2.7
69.07065	6.1
70.55267	0.6
70.55591	0.3
71.01334	0.3
71.05003	1.9
71.08630	16.7
73.02915	2.2
74.73978	0.3
75.04484	0.3
79.05489	9.0
81.03415	25.9
81.07052	18.2
83.04980	5.3
83.08617	15.5
85.02902	17.9
85.06504	1.2
85.10178	9.8
87.04436	0.6
89.05997	1.2
91.03434	0.4
91.03958	5.2
91.05477	12.6
93.06500	0.5
93.07038	6.9
95.04966	10.8
95.08604	15.2
96.04466	0.3
96.08936	0.3
97.02309	0.3
97.02889	5.3
97.06523	1.5
97.09581	0.3
97.10161	4.5
99.04434	0.6
99.08057	0.5
99.11688	0.7
103.07533	0.9
105.04498	0.3
105.07027	9.3
107.04952	3.1
107.08589	2.6
109.06520	1.8
109.10155	6.3
110.96793	0.3
111.04404	1.1
111.08077	4.6
111.11683	0.7
113.05968	0.8
115.03862	0.2
115.05447	0.7
117.06981	0.9
119.08583	7.9
121.06511	0.6
121.10133	4.3
123.08072	1.3
123.11710	3.8
125.09608	0.6
127.03878	1.8
129.07004	5.0
131.08559	5.4
133.06438	0.9
133.10126	4.6
135.11641	0.5
137.09605	0.7
137.13225	1.1
142.07719	1.0
145.04988	2.0
145.10085	0.8
147.08025	1.5
147.11685	7.1
149.09593	2.6
151.14828	0.3
157.10118	6.7
163.06003	2.0
163.11180	0.7
165.12726	1.4
175.11183	7.2
193.10429	0.6
193.12238	20.4
211.13278	23.5
212.13600	0.6
239.23706	1.7
249.14874	0.6
257.24612	1.4
267.13016	0.6
267.15909	12.6
285.16956	36.1
286.17285	0.7
313.27350	70.7
314.27640	1.6
505.38895	17.8
506.39279	1.0
523.39929	100.0
524.40234	4.5
760.82117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.6
65.03918	1.0
67.05501	20.5
69.03427	3.9
69.07063	18.4
71.01334	0.6
71.04994	3.6
71.08640	2.7
73.02915	2.8
79.05489	17.5
81.03413	38.1
81.07051	27.8
83.04977	8.7
83.08617	24.6
85.02901	26.1
85.06505	1.8
85.10163	0.6
86.09649	0.5
91.03952	7.1
91.05475	16.5
93.07040	15.4
95.04960	14.5
95.08605	15.1
97.02894	6.9
97.06521	4.9
97.10162	9.3
99.04411	1.2
99.08061	1.1
105.07025	12.4
107.04949	4.4
107.07895	0.6
107.08584	8.9
109.02839	1.0
109.06541	2.7
109.10153	6.2
111.04398	1.8
111.07401	0.5
111.08083	7.2
111.11709	2.4
113.05943	1.6
115.03898	0.5
115.05456	0.6
117.06976	0.6
119.08572	11.6
121.06482	1.5
121.10133	12.4
121.34301	0.5
123.08048	1.4
123.11697	3.7
125.09568	1.6
125.13187	0.7
127.03944	2.4
129.06999	6.0
131.08566	7.3
133.06451	2.0
133.10132	6.3
135.08064	0.5
135.11682	5.9
137.09595	1.4
137.13210	2.0
139.11134	0.8
142.07719	1.6
144.06332	0.4
145.04968	3.0
145.10110	1.0
147.08005	1.5
147.10522	0.6
147.11678	9.5
149.09602	4.4
149.13200	1.9
153.12746	0.9
157.10121	10.2
163.06012	3.4
163.11140	0.7
163.14824	0.8
165.12778	2.3
175.11179	10.0
184.07306	2.2
193.12236	32.1
211.13283	43.6
212.13565	0.6
219.21059	0.9
230.77408	0.5
237.22040	1.3
267.15897	15.2
285.16946	61.9
286.17319	1.0
311.25784	57.6
312.26019	0.7
320.21082	0.5
503.37286	13.6
504.36859	0.6
521.38354	100.0
522.38654	2.8
880.49884	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	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.8
65.03920	0.4
65.68155	0.3
66.14507	0.3
66.14893	0.3
67.05500	10.7
69.03436	1.8
69.07061	5.4
71.01318	0.8
71.05001	1.7
71.08631	13.8
71.15742	0.3
71.24564	0.4
71.24892	0.5
73.02919	3.2
73.06522	0.3
75.04444	0.3
77.14365	0.3
79.05490	9.3
81.03416	6.1
81.07051	14.6
82.03690	0.4
83.00924	0.4
83.01337	4.3
83.04980	5.8
83.08617	10.1
85.02900	12.6
85.06505	0.9
85.10178	9.2
88.95670	0.3
89.05983	1.1
91.03951	7.4
91.05478	6.4
93.07040	11.6
95.04485	0.3
95.04968	3.4
95.08603	13.7
97.02890	6.9
97.06527	2.4
97.09658	0.3
97.10164	3.5
99.04474	1.8
99.11687	0.6
101.02344	0.4
103.05457	0.4
103.07560	0.5
105.06420	0.4
105.07028	4.4
107.04323	0.4
107.04958	4.1
107.08589	7.0
109.02858	0.9
109.06504	4.3
109.10153	5.9
111.04423	1.4
111.08024	1.3
111.11686	0.7
113.13179	0.4
115.03960	0.7
117.07003	3.6
119.08578	5.1
121.06508	2.2
121.10139	4.2
123.04388	0.4
123.08062	5.1
123.11687	1.9
124.99944	0.3
125.05984	0.8
125.09604	0.7
125.13258	0.4
127.03919	2.8
129.06932	0.8
130.07764	0.7
131.08521	1.7
133.10100	1.2
135.08005	1.1
135.10698	0.5
135.11679	7.3
137.09579	0.8
137.13258	0.4
139.07494	0.5
145.04926	3.7
145.06413	0.6
145.10112	9.7
147.07985	1.2
149.09550	0.5
151.11092	0.4
153.12740	1.8
155.08514	0.7
163.06013	3.9
163.11174	14.4
173.09628	2.3
177.62250	0.3
180.08536	0.3
181.12212	2.2
184.07288	0.9
191.10738	1.7
209.11736	4.1
227.12772	2.8
239.23648	1.7
242.65607	0.3
257.24719	1.6
272.21133	0.3
283.15381	100.0
284.15628	1.5
298.27640	0.3
313.27347	71.9
314.27689	1.3
521.38354	49.9
522.38556	1.6
548.12830	0.3
561.31866	0.3
881.50250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.2
65.03934	0.9
67.05504	17.6
69.03431	0.8
69.07069	5.9
71.05001	0.6
71.08632	9.9
73.02910	0.8
73.06541	0.6
75.91148	0.4
79.05493	22.5
81.03432	2.8
81.07057	17.2
81.07534	0.9
83.04976	4.1
83.08618	5.5
85.02917	3.3
85.06533	0.9
85.10176	6.6
89.06011	0.5
91.03950	1.9
91.05482	17.9
91.42071	0.4
93.07043	22.7
95.04966	6.4
95.08608	13.8
97.02873	1.6
97.06524	1.3
97.10147	3.4
99.11803	0.4
102.94930	0.5
105.07033	11.0
107.04939	2.2
107.08604	5.3
109.06525	2.4
109.10162	4.2
111.08035	0.5
111.11741	0.5
115.05417	0.6
117.07001	2.7
119.08582	7.9
121.06502	1.1
121.10164	0.7
123.08086	1.6
123.11715	1.4
125.66608	0.5
127.03887	0.7
128.06236	0.6
129.07001	5.7
131.08582	0.8
133.10124	3.7
141.09038	0.4
143.08566	2.4
145.04985	0.7
145.10120	3.3
147.08115	0.6
147.11687	13.4
149.84618	0.4
161.09651	1.3
161.13240	3.9
163.05965	0.9
171.11688	10.5
189.12744	3.7
207.13802	16.5
225.14783	0.4
239.23666	1.1
257.24667	0.9
281.17474	47.0
282.17813	1.0
313.27356	40.1
314.27759	1.8
442.23645	0.4
519.40448	100.0
520.40717	8.3
531.73431	0.4
637.63428	0.5
756.62634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.6
65.03927	4.9
67.05502	100.0
69.03430	9.9
69.07065	42.3
71.04987	7.1
71.07368	2.9
71.51210	1.6
73.02888	1.3
74.71248	1.3
78.65765	1.4
79.05019	2.3
79.05489	66.0
81.03422	13.3
81.07050	98.0
83.04977	11.3
83.08613	23.2
85.02901	4.7
85.06540	6.8
86.09701	16.6
88.57690	1.1
91.03973	1.3
91.05479	53.4
92.05815	1.3
93.07036	65.8
95.04965	14.7
95.08601	40.6
97.02882	5.1
97.06528	20.5
97.10167	17.8
98.98453	1.8
99.04413	1.4
99.08099	3.3
102.32553	1.1
105.07028	50.0
107.04958	12.9
107.08588	55.1
109.02869	2.1
109.06516	11.4
109.10147	49.3
111.08091	8.4
113.05956	1.4
113.09618	1.5
115.05408	1.6
117.07014	18.1
119.08575	35.9
121.06493	7.5
121.10130	23.3
123.08042	4.9
123.11708	6.4
124.99989	9.5
125.09613	17.9
127.03933	3.2
128.06168	1.7
129.05504	1.8
129.07031	8.4
130.07784	2.0
131.00136	1.3
131.08556	25.0
133.06499	3.1
133.10123	29.4
133.11113	2.4
135.08044	7.8
135.11708	17.7
137.09593	6.2
139.11194	1.6
141.06981	3.5
143.08542	6.5
145.06465	1.5
145.10117	23.2
147.08089	2.9
147.11671	16.0
149.09628	16.7
149.13243	16.3
151.11171	3.6
155.08562	4.5
157.10121	9.0
159.08093	1.8
159.11668	20.1
161.09622	4.1
161.13235	6.8
163.11162	10.8
163.14772	1.4
165.09151	1.4
165.12801	1.6
169.10106	6.0
171.10313	2.0
171.11699	6.4
173.11742	9.7
173.13272	8.6
175.11208	3.9
175.14816	2.2
177.12755	6.0
179.14297	3.8
181.12184	1.2
183.11708	4.9
184.07336	57.4
185.13278	3.4
187.11208	4.0
187.14868	2.1
189.11211	8.3
189.12689	1.8
191.14192	1.7
195.11777	2.3
195.13780	3.9
197.13281	4.8
199.14804	2.2
201.12868	1.9
205.12294	1.5
211.13187	2.1
211.15021	1.5
213.14598	1.3
213.16466	1.5
215.17780	1.5
217.15855	1.7
227.12758	21.3
229.14333	30.2
229.19542	3.6
239.17955	3.9
244.93762	1.3
245.13867	1.8
246.76947	1.2
247.20601	4.2
255.15894	9.1
257.19025	13.9
267.09030	2.1
267.15820	2.6
269.17459	33.4
275.20056	61.1
276.20407	2.1
285.10056	2.8
293.21069	7.2
313.21786	1.3
324.11276	1.2
331.12976	2.9
331.22595	4.3
349.23721	54.1
350.23981	2.3
367.24765	12.2
387.19217	1.3
399.23730	3.0
409.25778	8.1
413.21567	1.4
423.27448	27.3
431.27829	1.8
433.30399	1.7
439.26868	1.4
445.29428	1.8
449.29077	11.2
451.32120	2.8
463.30606	24.7
469.33197	1.6
485.32620	2.1
503.33652	24.4
511.33844	1.5
519.32849	2.4
521.34625	4.0
525.35895	7.5
529.35321	7.2
541.35602	1.6
543.36792	52.7
544.36951	2.0
547.35968	1.4
561.37701	13.5
567.30963	1.7
605.41705	1.9
607.34656	3.0
623.43079	16.4
641.43970	11.3
659.45233	3.8
687.41101	1.5
906.62750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
65.03931	7.2
67.05503	100.0
69.03423	13.7
69.07066	54.9
70.05647	1.6
70.41335	6.1
71.01349	2.1
71.04980	5.8
71.08615	13.0
73.02904	4.0
79.05491	75.9
81.03418	18.3
81.07053	95.0
83.04985	19.1
83.08610	22.8
85.02899	9.2
85.06551	6.3
86.09724	2.2
91.03926	2.2
91.05473	71.6
93.07040	75.6
95.04951	16.4
95.08603	57.9
97.02892	8.1
97.06516	17.9
97.10162	11.7
99.08091	10.0
105.04459	2.2
105.07026	61.8
107.04943	9.7
107.08589	42.3
109.02889	3.0
109.06503	9.0
109.10155	30.7
111.04422	2.9
111.08067	7.2
115.05470	4.4
117.07017	21.6
119.08575	41.8
121.06520	7.2
121.10129	24.4
122.37112	1.9
123.08076	5.9
123.11703	7.4
125.09628	11.6
127.03878	4.9
128.06244	2.4
129.05498	2.7
129.06989	9.6
131.08569	30.3
133.06502	1.9
133.10127	27.4
135.08041	7.0
135.11682	17.1
137.09628	10.5
139.11180	4.9
141.06934	2.6
143.08549	10.1
143.10666	2.6
144.09312	2.0
145.04893	2.1
145.09254	1.9
145.10146	22.8
147.08034	3.3
147.11664	16.1
149.09605	13.0
149.13235	13.3
151.11215	11.4
155.08545	5.9
157.10114	10.5
159.11702	16.8
161.09604	2.5
161.13242	11.2
163.11179	9.2
163.14835	3.0
165.12799	2.7
167.08487	2.5
169.10133	6.4
171.10341	3.0
171.11711	8.0
173.11734	6.6
173.13271	8.1
175.11212	2.3
175.14799	3.5
177.12769	5.4
179.14369	4.5
183.11707	5.4
184.07347	7.4
185.13261	5.4
187.11156	1.8
187.14815	4.4
189.11211	3.1
195.11781	2.6
195.13832	5.0
197.13307	2.9
199.14919	3.1
201.16449	2.5
207.13806	3.0
209.13390	2.2
223.14934	2.7
227.12769	5.2
229.14279	5.5
229.19452	2.8
239.17807	2.0
241.19472	4.2
255.15675	2.0
257.19086	2.8
259.20593	6.8
261.22061	3.7
269.17398	8.5
273.18619	2.6
275.20041	14.9
277.21671	6.5
291.19666	4.0
293.21094	6.6
304.30063	2.1
304.33459	2.2
317.25278	2.0
327.23383	2.1
333.24271	5.3
335.25894	9.9
349.23721	13.4
351.25308	7.6
423.32269	2.5
489.35925	2.1
513.35638	5.6
515.37225	13.5
527.36926	2.5
543.36304	3.8
609.44659	10.1
625.45129	2.6
627.46045	6.7
874.44025	6.4
875.46332	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	874.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	2.7
61.31210	1.2
65.03931	4.5
67.05499	100.0
69.03425	7.5
69.07063	28.7
70.70113	4.3
71.04993	5.7
71.07349	1.5
73.02900	1.4
77.03902	1.1
78.12658	1.1
79.05486	57.2
81.03419	8.0
81.07047	75.9
83.04984	11.0
83.08612	18.1
85.02902	6.4
85.06525	4.4
86.09695	12.8
87.04457	1.2
91.03989	1.3
91.05471	55.9
93.07035	57.4
95.04963	11.6
95.08598	40.0
97.01391	1.1
97.02881	4.3
97.06522	13.7
97.10147	9.1
98.98435	2.2
99.04478	1.5
99.08084	4.5
103.05467	1.6
105.04486	2.7
105.07020	54.5
107.04961	7.5
107.08583	37.6
109.02884	1.3
109.06522	6.5
109.10148	42.5
111.08073	4.7
113.09653	1.5
115.05488	1.5
117.07011	23.3
119.08575	41.8
120.08886	1.3
121.06474	5.4
121.10131	17.5
123.08062	4.7
123.11669	5.0
124.99960	9.4
125.09606	8.9
127.03890	3.9
128.06186	1.7
129.05490	2.2
129.06990	10.9
130.07780	1.8
131.08556	24.3
133.06461	2.2
133.10118	32.9
135.08031	6.3
135.11662	13.1
137.09599	5.1
139.11177	1.3
141.06976	3.5
142.07765	2.3
143.08543	10.9
145.06491	2.0
145.10118	21.8
147.08035	2.3
147.11681	20.8
149.09610	10.9
149.13217	12.4
151.11194	4.0
155.08546	3.6
155.10599	1.7
157.10101	8.8
159.08026	2.1
159.11691	20.1
161.09541	2.2
161.13232	10.0
163.11208	6.3
163.14824	1.6
165.12711	2.9
167.08536	2.5
168.09338	1.5
169.10103	5.6
171.11679	10.5
173.11717	13.1
173.13232	7.1
175.11188	1.4
175.14819	4.3
177.12732	5.9
179.10739	1.3
179.14301	2.3
181.10143	1.5
183.11736	3.4
184.07333	42.5
185.13251	5.2
187.11130	1.6
187.14793	2.8
189.11220	4.9
189.16310	1.5
195.11761	2.5
195.13715	3.4
197.13280	4.4
199.14827	4.4
201.16354	1.9
209.13411	2.7
211.14725	1.4
213.16426	2.0
217.15852	2.4
223.14935	1.3
225.16388	1.7
227.12767	11.8
229.14308	30.9
229.19464	2.1
231.21036	2.1
239.17870	3.6
241.19481	6.1
247.20502	2.2
255.15851	1.7
257.18997	8.0
259.20554	18.4
261.22409	1.5
269.17441	24.1
275.20044	32.7
291.19427	1.6
293.18057	1.3
293.21072	4.8
313.21765	1.8
331.22592	2.2
333.24142	16.2
349.23654	19.7
353.24789	1.5
365.22888	1.4
367.24918	7.7
423.27438	16.2
439.26904	1.7
445.66104	1.3
451.31873	1.8
453.33444	1.6
463.30164	7.7
469.33447	2.6
485.32886	1.3
487.34094	4.7
503.33646	4.8
505.35294	8.4
513.35516	2.6
515.36597	1.8
521.34686	1.2
525.36005	1.4
527.37073	8.4
543.36523	9.0
545.37903	2.5
561.37775	3.9
588.50708	1.7
607.43591	7.2
625.44855	10.8
875.46271	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	872.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.7
65.03938	7.2
67.05500	100.0
69.03425	11.4
69.07062	64.6
69.53885	5.6
69.54307	2.3
71.01337	2.6
71.04994	7.2
73.02902	2.7
79.05487	69.8
79.52531	0.9
80.05831	1.2
81.03409	18.4
81.07049	89.6
83.04973	15.1
83.08609	20.5
85.02895	7.7
85.06539	5.1
87.04453	1.4
91.05472	68.0
93.07035	71.9
94.07370	1.8
95.04957	19.6
95.08598	53.3
97.02903	7.8
97.06527	22.3
97.10155	16.6
99.04436	3.1
99.08095	3.7
103.05422	1.7
105.04532	2.8
105.07024	55.8
106.07354	1.4
107.04944	16.7
107.08581	43.5
107.09313	2.3
108.70442	1.1
109.02871	1.9
109.06510	9.9
109.09382	1.7
109.10149	32.5
111.04433	2.7
111.08077	7.2
113.05994	1.1
113.09631	2.7
115.05448	4.1
117.07005	23.5
119.04908	1.5
119.08571	41.2
121.06506	7.3
121.10131	21.7
123.08059	8.2
123.11697	6.2
124.99987	1.1
125.05936	1.4
125.09615	14.5
127.03922	5.5
128.06236	3.5
129.05476	3.6
129.07007	9.8
130.07782	2.2
131.04890	1.3
131.08553	28.2
133.06480	2.4
133.10118	33.3
135.08051	7.8
135.11681	18.1
137.09601	16.1
139.11203	1.9
141.06961	3.5
142.07799	2.3
143.07431	1.6
143.08513	11.0
145.06531	2.2
145.10118	24.7
147.08072	5.2
147.11667	19.1
149.09605	29.1
149.13222	10.6
151.11143	4.6
153.09109	2.7
154.07741	1.2
155.08540	4.9
155.10712	1.5
157.08871	1.7
157.10103	10.2
159.07985	1.4
159.11662	18.5
161.09604	5.0
161.13255	8.8
163.11174	15.9
165.09129	2.0
165.12788	2.3
167.08565	2.0
167.10704	1.2
169.10136	4.8
171.10246	2.2
171.11699	8.0
173.04471	1.9
173.09616	1.5
173.11737	9.3
173.13264	9.0
175.11218	3.2
177.12732	5.4
179.10712	1.5
179.14326	4.8
181.10020	1.7
181.12216	2.4
183.11703	4.7
184.07364	2.0
185.13260	4.4
187.11151	1.7
187.14835	3.7
189.11226	8.6
189.12709	2.2
191.14207	1.5
193.12244	1.7
195.11839	1.7
195.13794	4.1
197.13260	4.2
199.14781	1.1
205.12199	1.5
208.12491	1.5
209.13350	1.4
211.13062	1.5
211.14838	1.6
213.14597	1.4
227.12737	13.2
227.17993	1.2
229.14290	10.3
229.19566	3.4
239.17850	2.5
245.13881	1.5
245.18906	1.4
247.16914	1.6
247.20650	5.2
253.17982	3.2
255.15881	4.8
257.19003	8.8
259.20654	1.6
267.15726	2.8
269.17407	14.0
273.18518	3.4
275.20041	45.9
291.19455	7.4
293.21133	4.2
297.17017	1.3
313.21597	2.1
331.22614	2.9
349.23697	40.8
349.49146	1.4
350.24088	2.0
355.26642	1.3
365.23495	2.5
367.24954	3.0
383.24228	1.3
409.25854	4.1
423.27328	6.6
445.29434	1.4
449.29016	1.3
470.07806	1.2
503.33649	3.9
515.37390	2.0
519.33350	1.3
525.35510	1.6
527.37396	5.1
529.35138	4.2
543.36786	13.0
559.36395	1.9
623.42847	11.6
641.44000	2.2
680.55829	1.3
854.22955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.6
61.40113	0.9
65.03934	7.9
67.05502	100.0
69.03429	14.2
69.07066	73.0
69.16566	9.7
71.01348	1.9
71.04987	9.1
71.08617	1.9
73.02903	3.7
77.03937	1.7
78.04724	1.0
78.52430	1.0
79.05491	86.1
81.03415	17.3
81.07053	85.3
82.07360	1.2
83.04976	15.0
83.08612	19.7
85.02903	12.1
85.06534	5.6
87.04464	0.9
91.03951	3.3
91.05476	90.5
93.07039	80.9
95.04957	23.1
95.08601	58.1
95.09106	0.9
96.08929	1.4
97.02882	11.3
97.06523	19.0
97.10166	12.9
98.09684	1.8
98.20791	1.9
99.04433	2.8
99.08090	5.8
101.02365	1.6
103.03912	1.2
103.05451	2.9
105.04527	2.2
105.07026	66.7
106.07372	1.7
107.04951	14.0
107.08585	46.6
108.08900	1.0
109.02866	3.4
109.06519	10.6
109.10149	30.1
111.04429	2.1
111.08064	7.7
113.06034	1.0
113.09644	2.2
115.05437	4.2
116.06227	3.0
117.07009	30.3
119.04947	1.3
119.06052	1.5
119.08575	54.6
120.08917	1.5
121.06505	7.5
121.10142	25.7
123.04424	1.6
123.08039	10.1
123.11693	4.7
125.09620	10.3
127.03951	5.4
127.07524	1.0
128.06165	5.5
129.05475	4.2
129.06985	16.8
130.07709	2.3
131.08562	35.0
132.05759	1.0
132.89297	1.0
133.06479	2.7
133.10121	40.2
134.10445	1.9
135.08064	8.1
135.11685	17.0
137.06042	1.0
137.09607	11.2
139.11177	2.1
141.06987	6.5
142.07774	3.2
143.08560	16.0
144.09377	1.4
144.57120	0.9
145.04961	1.5
145.06482	1.8
145.10114	30.3
147.08044	4.7
147.10506	1.9
147.11674	25.3
149.09610	21.6
149.13237	11.1
151.11159	4.2
153.09181	1.3
154.07808	1.4
155.08559	7.9
156.09300	1.9
157.06514	1.3
157.08730	1.9
157.10104	13.6
159.08064	2.8
159.10342	1.2
159.11682	22.6
161.09586	3.2
161.13269	13.8
163.11169	11.6
163.14818	1.2
165.09039	2.1
165.12747	2.0
167.08559	2.7
168.09392	1.2
169.10092	10.0
171.08057	1.3
171.10234	1.6
171.11681	15.8
173.09578	2.3
173.11734	5.0
173.13261	10.8
175.11171	3.7
175.14786	3.9
177.12735	6.6
179.14304	4.7
180.49229	1.0
181.10106	4.0
183.11687	8.8
184.07288	1.7
185.13211	7.6
185.77437	0.9
187.11203	3.4
187.14857	3.8
189.11160	3.8
189.12740	2.3
193.10150	1.1
193.12166	1.4
195.11708	5.2
195.13785	4.1
197.13269	5.4
199.11354	1.0
199.13188	1.8
199.14890	4.9
201.12788	2.1
203.14268	1.7
204.33414	1.0
207.11726	2.2
207.13741	1.6
207.33817	1.1
209.13210	3.5
211.14845	4.1
213.16417	2.3
215.14252	1.5
215.17961	1.8
217.15807	1.6
223.13104	1.4
223.14973	2.0
227.12761	4.8
229.14142	4.9
229.19536	2.3
231.20930	1.2
233.18881	1.1
237.16486	2.1
239.17949	2.3
241.19470	2.5
247.20593	2.6
253.14481	2.0
253.17886	1.5
257.19043	7.2
259.20551	10.6
267.15726	1.2
269.17407	5.8
273.18457	2.4
275.20065	26.0
281.17441	1.6
291.19501	9.7
293.21127	3.2
297.22473	1.6
299.20090	1.3
301.21469	1.4
310.95459	1.1
315.23209	2.3
321.24429	1.1
327.23126	1.2
331.22601	1.5
333.24225	9.5
337.25070	1.2
339.23285	1.2
349.23737	19.1
351.25159	1.2
365.23163	2.9
367.25125	1.0
383.24039	1.6
421.30838	1.8
445.29593	1.6
447.31171	1.5
451.31833	1.2
463.30579	1.6
487.34052	1.9
495.34674	1.3
513.35809	20.4
514.35913	1.9
515.38354	2.0
523.97644	1.0
527.37262	2.9
529.35168	1.2
533.39795	2.0
543.36694	4.5
555.36530	2.6
607.43530	9.4
623.41943	1.3
625.44830	8.0
641.43768	2.2
720.10083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.4
61.96903	2.0
64.19933	2.0
64.39780	2.1
65.03925	5.1
67.05505	100.0
69.03411	3.6
69.07060	25.8
69.21108	3.4
69.21508	22.9
71.04975	6.7
73.02913	4.9
79.05494	60.8
81.03423	15.5
81.07057	61.9
83.04969	6.6
83.08621	17.5
85.02903	13.5
85.06535	6.1
87.04475	5.0
91.05482	66.1
93.06491	4.0
93.07046	59.2
95.04969	10.6
95.08611	38.5
97.02886	6.4
97.06519	6.6
97.10165	17.7
103.05476	3.5
105.06330	3.3
105.07036	65.4
107.04968	5.6
107.08591	38.2
109.06512	5.7
109.10154	54.5
111.08057	7.7
117.07007	23.4
119.08580	57.0
121.10152	19.3
123.08047	4.2
125.09619	15.3
128.06235	4.3
129.05432	3.4
129.06998	15.4
131.08568	27.8
133.10136	33.0
135.11700	19.1
137.09566	5.4
141.06918	3.4
143.08546	16.0
145.10127	22.4
147.07990	3.9
147.11673	32.4
149.09634	4.6
149.13248	8.4
151.11147	3.0
153.12663	3.4
155.08553	2.9
157.10144	13.9
158.11952	2.2
159.11690	16.9
161.13229	17.7
163.11209	9.6
163.14743	2.5
169.08611	2.5
169.10051	4.2
171.11681	12.3
173.11739	14.4
173.13271	10.3
175.14781	5.2
177.12871	2.6
183.11751	5.0
185.13173	10.4
187.14767	4.7
189.11174	3.2
189.12675	3.5
189.16336	3.5
193.12311	3.2
195.11763	2.8
197.13214	3.7
198.03374	2.4
199.13298	7.7
199.14893	3.4
201.16220	3.1
209.11560	3.8
213.16377	2.6
214.71388	2.4
217.14275	3.8
227.12758	7.8
229.14357	36.5
231.17271	2.8
231.21016	4.1
241.19633	14.5
257.18872	4.0
259.20560	46.7
259.23126	4.2
274.43869	2.4
275.20142	10.6
301.16406	6.0
313.21445	4.1
315.23196	7.2
325.21527	4.2
333.24225	39.8
349.23685	3.7
381.15253	2.3
399.23779	12.9
487.34003	3.2
559.36047	4.2
657.43134	3.8
675.44128	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	872.536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.8
65.03926	5.4
67.05503	100.0
68.05850	1.3
69.03433	11.6
69.07066	63.7
70.76690	1.7
70.77018	3.3
71.01344	2.2
71.04999	8.2
72.31651	1.3
73.02934	2.0
79.05491	68.1
81.03413	17.9
81.07053	94.8
83.04991	15.5
83.08156	2.1
83.08610	20.2
85.02926	7.7
85.06535	4.8
90.62791	1.2
91.03941	2.7
91.05476	69.1
93.07040	66.1
95.04967	18.3
95.08603	47.7
97.02926	7.6
97.06528	25.0
97.10158	10.6
99.04430	1.9
99.08105	3.6
103.05432	2.8
105.04529	1.6
105.07027	51.1
107.04946	14.3
107.08587	44.0
109.02869	1.9
109.06523	7.3
109.10153	32.4
111.04406	1.2
111.08064	8.2
115.05437	3.5
116.06219	1.4
117.07016	20.1
119.04911	2.2
119.08581	36.6
121.06509	7.8
121.10143	20.7
123.04367	1.3
123.08082	9.0
123.11690	6.0
125.09628	9.0
127.03935	4.1
128.06186	1.6
129.05476	3.5
129.06976	9.4
131.08560	23.0
133.06496	4.0
133.10126	32.7
135.08078	8.0
135.11696	20.7
137.09618	11.9
139.07626	1.5
139.11212	2.5
141.07018	3.2
143.08569	8.9
145.06456	3.5
145.10117	19.1
147.08040	2.4
147.11676	18.1
149.09612	26.4
149.13258	9.9
151.11162	5.5
155.08536	3.1
155.10637	1.9
156.09329	1.4
157.08965	1.1
157.10126	9.5
159.08093	1.5
159.11703	17.8
161.09618	3.8
161.13260	8.3
163.11174	11.8
165.12729	3.4
167.08464	1.3
169.10101	5.0
171.10297	1.8
171.11594	6.2
173.09554	1.7
173.11711	7.1
173.13271	8.3
175.11133	3.0
177.12749	4.9
179.14268	5.1
181.12236	2.1
183.11687	6.7
184.07341	3.1
185.13239	3.1
187.11113	2.7
187.14853	2.3
189.11214	4.7
189.12729	2.9
191.14145	1.4
193.12257	2.0
195.13824	4.8
197.13269	4.3
199.13165	1.5
199.14842	2.5
201.12630	1.5
211.13182	1.8
215.12527	1.7
223.13246	2.6
227.12802	8.8
229.14285	12.3
229.19524	3.7
233.15303	1.5
239.17863	4.3
243.15979	2.3
243.83327	1.4
245.19113	1.5
247.20541	4.7
253.18005	3.8
255.15848	10.3
257.19043	7.6
267.15900	3.8
269.17484	18.2
273.18613	6.1
275.20050	40.1
276.20422	1.9
291.19547	7.4
293.21069	4.1
313.21259	1.6
321.24075	1.5
331.22638	3.1
349.23743	35.7
365.23224	4.3
367.24759	2.2
383.24127	2.7
409.25723	4.0
423.27264	6.1
433.30487	1.8
447.31467	1.6
449.28671	2.0
503.34152	1.7
511.34695	1.6
529.34985	5.6
543.28491	1.7
543.36847	20.1
623.42908	4.0
641.43591	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	870.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02652	1.5
61.02927	18.4
65.03923	4.2
67.05504	51.5
69.03433	11.2
69.07076	13.7
71.01336	2.1
71.04986	6.5
71.51585	2.2
71.95113	1.0
73.02921	11.5
79.05493	57.1
80.06269	1.6
81.03416	100.0
81.07052	46.9
82.04180	5.0
83.04498	1.9
83.04984	30.7
83.08614	38.5
84.05752	1.6
85.02905	42.4
85.06532	3.9
87.04443	1.2
91.03967	11.6
91.05479	55.2
93.07042	31.6
95.04964	49.1
95.05572	1.8
95.08603	18.1
97.02886	18.4
97.06532	11.3
97.09561	1.6
97.10164	17.9
98.07307	7.5
99.04429	2.8
99.08071	2.2
103.05447	1.3
105.07024	36.5
107.04952	17.6
107.07879	1.6
107.08593	21.4
109.02844	2.2
109.06516	10.4
109.10159	16.6
111.04480	5.4
111.08076	18.9
113.06014	3.3
115.05444	2.7
116.04715	12.3
117.05547	1.4
117.07008	6.4
119.04978	1.4
119.08572	29.6
121.02825	1.3
121.06477	5.0
121.10136	13.6
123.04395	1.9
123.08069	8.0
123.11723	2.9
125.09620	17.1
127.03886	4.4
128.06186	1.4
129.05490	31.1
129.06975	18.1
131.08565	19.0
131.26254	1.3
133.06468	4.4
133.10129	18.5
135.08028	3.6
135.11673	5.1
137.09599	4.4
141.07033	1.2
142.07790	3.6
143.07022	5.5
143.10681	2.0
145.04950	3.3
145.06386	1.4
145.10088	5.4
147.08055	6.9
147.11679	18.9
149.05930	1.2
149.09636	9.7
153.12729	4.6
155.08508	1.6
157.08598	10.6
157.10110	22.3
158.05754	2.8
163.06065	3.3
163.11183	12.7
165.12773	6.5
171.06525	3.3
171.10150	3.8
173.09619	2.7
173.11792	5.8
173.13087	1.3
175.11183	21.4
181.12163	3.4
185.11662	1.2
189.11244	8.3
191.10660	4.2
193.12239	82.0
194.12573	1.8
199.00925	1.1
199.13278	17.7
200.14055	1.8
201.14908	1.5
201.96523	1.0
209.11714	9.7
210.12477	2.4
211.13286	96.8
219.13751	1.7
227.12755	15.1
229.14357	4.8
242.15121	1.2
247.13223	4.0
249.14876	2.6
255.15884	2.6
265.14444	1.9
267.15897	32.5
283.15405	15.9
283.18597	1.9
285.16962	69.1
286.17288	2.1
286.63416	1.2
298.17844	1.3
301.16452	60.6
317.21194	1.4
321.17050	2.0
339.17914	2.2
345.07596	2.3
409.25677	6.3
421.25598	3.2
427.26758	6.9
439.26892	23.9
459.27402	4.5
475.26791	5.0
476.27551	4.0
477.28253	3.9
493.27948	17.6
494.28656	7.7
511.29053	71.7
547.10315	1.5
806.31952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.1
65.03925	3.6
67.05497	64.4
69.03422	11.7
69.07063	44.9
69.31767	8.8
71.04420	1.0
71.05021	4.9
71.06419	1.0
71.08633	1.0
73.02891	1.5
79.05483	48.1
81.01762	1.0
81.03411	13.8
81.07047	49.8
82.04169	1.1
83.04964	10.9
83.08620	11.7
85.02892	4.0
85.06535	3.0
91.05471	43.7
93.07031	42.9
93.07458	0.6
94.04181	1.1
95.01283	1.8
95.04963	22.8
95.07993	2.0
95.08600	32.0
97.02878	10.2
97.06519	17.8
97.10152	13.7
98.21613	1.3
99.04456	2.0
99.08063	2.2
103.05457	1.6
105.04517	2.0
105.07018	34.1
107.04234	1.1
107.04945	20.4
107.07884	1.8
107.08580	24.9
109.02875	1.0
109.06506	9.3
109.10148	25.3
111.04405	3.7
111.08082	5.2
113.05993	1.8
115.05455	2.3
117.07002	14.9
119.04919	2.2
119.08568	27.6
120.05747	1.7
121.06496	6.8
121.10129	11.6
122.07270	2.1
123.04397	2.5
123.08051	6.4
123.11711	1.8
125.09619	11.7
128.06180	3.0
129.05527	2.6
129.06995	8.0
130.07750	1.3
131.04991	1.1
131.08559	18.8
133.06441	4.9
133.10127	17.5
135.08058	7.7
135.11687	8.2
137.09607	12.1
139.11147	1.4
141.06958	3.0
142.07721	0.9
143.08545	7.0
144.09279	1.1
145.06445	2.4
145.09084	1.2
145.10107	15.1
147.08035	11.0
147.11655	9.9
149.09584	14.4
149.13272	5.3
151.07518	1.1
151.11172	3.1
153.09111	2.5
155.08510	2.2
157.08606	1.1
157.10086	5.8
159.08029	2.0
159.11688	9.4
161.09604	6.5
161.13203	5.5
162.10403	1.4
163.11140	9.1
165.09090	3.1
165.12704	1.7
167.08539	1.2
169.10085	2.6
171.10185	1.8
171.11511	5.1
173.09546	1.3
173.11687	4.2
173.13248	4.2
175.11134	4.6
175.14879	1.1
177.12766	4.0
179.10738	1.1
179.14224	4.4
183.11673	1.9
185.13234	2.7
187.11205	2.3
187.14690	1.7
189.11220	6.6
189.12697	1.6
193.12178	1.1
195.11661	1.3
195.13731	2.7
197.13271	1.4
199.14844	1.2
201.12743	1.2
203.14363	1.1
205.12189	3.0
211.13200	1.5
215.14377	1.5
217.15892	1.2
223.13240	15.5
227.12741	7.0
229.14252	5.0
229.19513	1.7
233.15350	2.8
239.17996	2.8
245.13803	1.1
245.18906	2.3
249.14749	4.8
253.14351	1.2
253.17995	1.8
257.18942	4.0
263.19913	1.1
267.15845	1.1
269.17490	4.0
273.18484	16.9
275.20035	22.7
279.15948	1.9
283.15439	1.6
289.18063	1.7
290.18854	1.7
291.19498	100.0
292.19827	2.9
293.21014	2.5
297.16907	1.5
331.22653	1.7
333.24179	2.8
347.22437	2.3
349.23682	24.8
365.23206	27.0
381.22705	3.9
461.28888	4.1
519.33197	8.2
543.36639	4.9
559.35468	1.3
575.35150	2.2
593.93646	1.1
611.43036	1.2
621.41040	2.0
623.42798	1.4
639.32208	2.0
639.42444	28.1
655.41968	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	867.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	12.7
63.81267	0.7
65.03944	1.8
66.49292	0.8
67.05505	21.2
68.83743	0.8
69.03427	11.3
69.07069	6.5
69.85967	4.0
71.01347	1.2
71.04992	4.2
71.58420	0.8
73.02925	6.5
79.05493	16.4
81.03413	19.3
81.07050	18.6
83.04983	6.2
83.08615	7.1
85.02902	19.7
85.06554	1.1
85.88278	0.8
91.03955	8.3
91.05476	14.9
93.07049	13.7
94.94888	0.8
95.04958	7.9
95.08604	11.5
97.02298	1.3
97.02885	15.8
97.06525	2.5
97.10175	6.6
99.04446	2.8
101.02361	1.6
103.03960	0.9
103.05435	0.9
105.07024	14.1
107.04953	4.1
107.08579	9.3
109.02897	3.6
109.06520	3.4
109.10153	7.8
111.04418	3.0
111.08073	2.5
115.03942	1.0
115.05433	1.2
117.07005	8.0
119.08577	12.8
121.06529	2.0
121.10124	6.2
123.04407	1.4
123.08079	2.3
123.11717	1.5
125.09609	5.4
127.03903	6.9
128.06226	2.0
129.05481	1.8
129.07004	7.6
131.08554	11.9
133.06470	1.6
133.10123	8.2
135.08043	2.3
135.11760	3.6
137.09602	1.7
141.06938	1.9
142.07780	1.8
143.08565	8.0
145.04971	2.4
145.06497	2.4
145.10133	9.7
147.08049	2.5
147.11707	6.1
149.09622	2.9
149.13214	1.1
151.07452	0.8
153.12750	1.0
154.07692	0.8
155.08566	5.3
156.09349	0.9
157.06494	1.0
157.10144	7.8
159.08026	3.0
159.11678	6.8
161.13254	3.1
163.11176	1.8
165.12714	0.9
167.08578	2.0
169.10098	5.0
171.07996	1.7
171.11713	5.9
173.04398	4.4
173.09651	1.8
173.13240	4.5
175.11171	2.4
175.14813	1.6
179.08432	0.8
181.10089	2.4
181.12265	1.4
183.08112	0.8
183.11699	5.0
185.07602	0.7
185.09607	1.4
185.13217	5.1
187.11118	1.5
187.14873	2.1
189.11188	2.4
189.12839	1.1
191.10716	1.0
193.10269	1.5
193.12244	5.2
195.11655	3.4
197.13260	3.6
199.11198	1.9
199.14825	2.4
201.12773	1.7
207.11749	1.8
209.13268	2.3
211.11304	1.4
211.13068	4.2
211.14977	1.5
213.12778	1.3
219.13867	0.8
221.13416	1.1
223.14803	2.4
225.12741	0.9
225.16396	1.3
227.12674	4.0
229.14319	2.5
233.13248	1.5
235.14926	1.0
237.12830	0.8
237.16470	1.2
241.19426	1.9
259.20566	2.8
267.15997	2.3
271.20679	1.1
283.20645	1.4
285.10077	1.5
285.17020	2.4
294.39438	0.9
297.18210	0.8
297.22217	2.0
299.23715	3.5
301.21677	1.0
315.23016	1.6
325.21634	1.3
333.24338	1.8
339.23724	0.8
353.24829	1.6
369.24072	1.0
385.23932	1.0
417.26236	1.0
421.25803	2.7
423.32663	1.1
429.20956	1.4
433.30948	4.0
435.27167	1.2
451.32153	5.6
462.71909	1.0
469.33176	3.9
515.37085	1.7
517.34821	1.5
525.35760	20.9
541.34753	2.1
543.36804	100.0
544.37274	4.6
545.38440	1.0
561.37720	1.7
567.36560	1.5
585.37732	2.9
597.38831	1.0
609.37817	1.8
633.37463	1.4
651.38995	3.6
669.39771	5.7
687.40997	9.8
688.40930	1.0
705.41986	13.0
867.46338	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	867.473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	14.2
65.03948	2.5
67.04180	1.0
67.05502	27.7
69.03425	16.0
69.07069	9.1
70.55679	3.4
71.04984	4.7
73.00318	1.1
73.02908	5.8
76.99566	1.0
77.03916	1.1
79.05073	1.9
79.05492	21.7
81.03419	28.6
81.07055	25.0
81.07863	1.1
82.79128	1.0
83.04973	10.0
83.08617	9.2
85.02905	22.5
85.06526	2.2
91.03945	7.9
91.05482	25.7
93.07040	20.6
95.04955	9.7
95.08610	16.2
97.02892	18.3
97.06523	4.7
97.10176	7.3
99.04435	3.5
99.08106	1.2
99.19735	1.0
101.02376	2.1
103.05499	1.3
105.07032	24.8
107.04946	4.6
107.08600	11.9
109.02866	3.7
109.06507	2.7
109.10153	11.8
111.04433	2.5
111.08071	4.5
113.05998	1.1
115.03905	1.4
115.05519	1.4
117.07013	10.5
119.08583	17.8
121.06491	2.7
121.10143	9.4
123.08076	1.5
123.11721	1.3
125.09618	5.4
127.03876	8.9
128.06224	2.6
129.05499	1.5
129.07001	11.9
129.21745	1.1
130.64870	1.1
130.91261	1.2
131.04936	1.4
131.08565	19.8
133.06514	1.9
133.10123	11.9
133.32117	1.1
135.08069	3.0
135.11668	5.3
137.06006	2.0
141.07021	3.3
142.07777	3.2
143.08560	10.0
144.09270	1.1
145.04973	2.8
145.06471	2.8
145.10127	15.9
147.08083	3.3
147.11687	11.6
149.09642	4.2
149.13251	3.2
151.07562	1.5
153.06834	1.2
153.12828	1.3
154.07826	1.6
155.08557	6.0
156.09303	1.5
157.06538	1.7
157.10107	9.4
159.08067	2.8
159.11681	7.6
161.13261	4.1
163.06047	1.6
163.11179	3.1
166.07826	1.3
167.08609	1.6
169.10080	5.3
171.08020	1.6
171.11661	7.0
173.04488	7.7
173.09659	2.3
173.11891	1.3
173.13194	6.1
175.11147	3.0
175.14748	2.0
177.00084	1.2
181.10144	4.1
181.12234	2.1
183.08092	1.5
183.11681	7.6
184.07446	1.1
185.09630	1.7
185.13223	6.5
187.11099	2.2
187.14809	2.8
189.11226	3.0
189.12747	1.8
191.10728	1.4
193.10376	1.9
193.12268	7.4
195.11670	3.6
197.09732	1.5
197.13232	4.1
199.11153	2.8
199.14893	3.6
201.12740	1.4
207.11784	2.6
209.13274	4.6
211.11473	1.8
211.13200	8.2
211.14699	1.1
213.12729	1.7
213.16417	1.1
215.14355	1.5
221.13251	2.5
227.12788	5.2
229.14323	2.0
237.12805	1.3
241.19559	1.5
243.35033	1.2
247.14911	1.5
251.17928	1.2
255.17453	1.5
259.20547	7.8
261.22092	1.3
267.15930	2.1
283.15417	2.5
283.20685	2.0
285.10159	2.1
285.17014	3.7
297.22006	2.6
299.20636	1.4
299.23761	4.4
311.20227	1.8
313.21454	2.6
315.23099	2.0
323.57007	1.4
325.21768	2.2
333.24237	4.3
335.25861	1.8
345.23950	1.2
349.21564	1.8
355.17841	1.4
357.24161	1.3
357.87555	1.2
363.01501	1.2
367.22586	2.4
375.25128	1.5
385.23782	1.6
421.26111	1.8
423.32709	1.5
429.21103	3.1
433.30942	4.1
435.27225	1.4
451.32150	8.0
469.33441	2.3
507.34595	1.8
515.37329	2.7
517.34473	2.1
525.35724	21.1
541.34869	2.5
543.36829	100.0
544.36829	3.6
549.34924	1.4
549.43817	1.7
555.36908	2.0
561.38062	2.0
585.37445	3.2
609.38409	1.3
633.38092	1.5
651.38300	5.0
655.40991	1.4
669.40131	6.6
687.41107	14.1
705.41907	15.7
750.24878	1.3
795.43085	1.4
813.43970	2.1
829.16290	1.3
831.44678	1.6
849.45380	1.7
867.48090	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	867.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.5
63.94036	0.5
65.03938	1.8
67.01871	0.9
67.05494	1.0
68.99787	8.7
70.00019	0.6
71.15517	0.5
71.50394	1.0
74.04446	0.4
77.03931	0.6
79.05492	1.2
81.03419	2.4
83.04971	2.0
85.02901	1.4
89.03910	1.9
91.05474	1.4
93.03420	1.0
95.04955	2.7
99.04427	0.8
103.05451	1.2
105.03374	1.0
107.04941	5.0
109.02873	3.9
111.00808	7.6
111.04446	7.9
115.05456	0.8
115.45757	0.6
117.03369	1.8
119.04940	2.2
121.02874	1.5
123.04421	61.9
124.04816	0.9
124.58347	0.5
127.03909	100.0
128.04259	0.9
129.07014	1.1
131.04953	2.7
133.02737	0.6
135.04405	59.5
137.02313	4.6
137.05934	1.2
139.03893	44.4
141.06952	1.1
141.52876	0.5
145.02748	1.2
145.06479	1.2
147.04390	7.0
149.02330	6.6
149.05997	2.4
151.03891	13.3
153.01770	0.6
153.05588	0.5
153.07037	0.7
155.03421	0.6
155.04890	1.4
157.06453	1.7
159.04414	4.8
161.02328	1.0
161.05963	4.2
163.03891	59.4
164.04494	0.8
165.01802	1.3
165.05490	5.7
167.03419	6.6
169.04959	2.9
169.06499	2.6
171.04333	0.6
173.02368	0.6
173.05986	5.1
175.03885	3.4
175.07451	0.7
176.04649	0.6
177.05473	6.7
179.03398	7.6
181.05002	1.3
181.06465	1.3
183.04401	3.3
184.04799	0.5
185.05994	1.8
187.03854	8.6
187.07573	0.8
189.05470	3.2
191.03378	10.4
193.04958	2.3
197.05983	4.8
201.05470	9.3
203.03372	13.0
203.06935	2.9
205.04956	2.9
207.02875	0.7
207.06456	0.8
209.05966	0.9
211.03831	0.6
213.05489	3.4
215.03423	3.6
215.06927	3.1
217.04932	3.1
219.06464	1.4
221.04388	0.7
223.02362	1.4
225.05420	2.2
227.03496	0.8
227.06946	0.8
229.04913	11.5
230.05511	0.6
231.02829	0.8
231.06496	2.3
233.04471	4.9
235.02246	1.0
237.05469	1.5
241.04904	3.4
243.02885	1.4
243.06532	5.5
244.03783	0.9
245.04440	71.8
246.04727	1.5
247.06006	54.4
248.06361	0.9
251.05397	0.7
253.05070	3.0
255.06497	3.1
257.04443	15.9
258.05148	1.9
259.06003	10.2
261.07605	2.5
263.05490	2.1
265.04913	1.8
267.06473	0.9
269.04407	5.1
271.05984	26.2
272.06403	1.2
273.07541	2.1
274.04718	3.5
275.05460	23.3
279.06522	1.4
281.04382	2.5
283.05994	13.1
285.03915	2.4
285.07236	1.1
286.04633	1.1
287.05466	23.6
288.05792	0.8
289.07059	30.1
290.07410	0.7
291.08630	12.7
293.04248	0.7
295.05902	3.2
297.03864	1.6
297.07336	1.1
299.05444	6.6
301.07065	11.7
303.04834	1.6
303.08679	1.8
307.05972	1.0
307.36853	0.6
309.03830	2.0
309.07254	1.0
311.05551	3.3
313.07068	3.2
317.07074	0.5
321.07516	0.8
323.05487	3.0
327.04553	0.8
329.06757	1.0
331.08032	2.2
335.05417	1.3
337.06979	0.9
339.08542	0.7
341.06458	0.7
345.07434	0.6
349.07010	0.9
351.04950	2.6
353.06393	0.6
361.06845	2.7
363.08563	1.0
365.06540	2.2
367.08151	1.2
377.06537	1.7
379.08020	3.2
381.09665	0.7
383.07654	3.9
389.06485	2.4
391.08084	2.8
393.05890	3.7
395.07608	1.4
396.08554	0.7
397.09262	8.0
405.05920	4.3
407.07574	25.4
408.08002	0.5
409.03732	1.1
409.09128	21.9
410.09067	0.6
411.10632	3.6
417.05716	0.6
419.07617	4.8
421.09314	3.1
425.08588	9.0
427.10217	12.6
431.07755	0.8
433.08920	2.2
435.11160	1.3
437.08688	8.7
439.10330	2.5
449.08521	2.8
451.10144	4.9
453.12363	0.8
517.11011	2.0
527.09894	2.6
529.10907	0.7
535.12170	1.8
541.11121	1.6
545.10779	6.0
557.10339	1.3
559.12048	1.0
571.12256	1.5
577.13483	1.1
579.14862	3.9
589.13190	1.1
679.13861	1.7
697.15308	3.3
715.16559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57714	0.6
62.71937	0.6
65.03939	3.3
67.01855	1.0
67.05492	0.9
67.79502	0.5
68.99782	10.4
69.03397	0.6
69.32307	0.7
69.32613	5.3
74.08976	0.6
77.03944	0.6
79.05470	1.5
81.03416	3.8
83.04972	1.4
85.02879	1.4
89.03901	1.9
93.03378	1.6
95.04960	2.6
95.82890	0.6
97.02894	1.0
98.21600	0.6
99.04452	1.0
103.26380	0.6
105.03383	1.4
105.04550	0.5
107.04960	6.2
109.02848	3.0
111.00790	9.7
111.04429	15.8
115.05450	0.7
117.03374	1.1
117.07071	0.6
118.68986	0.7
119.04924	2.2
121.02840	1.7
123.04418	72.2
124.04763	0.8
127.03904	69.9
129.06972	0.6
131.04907	3.0
135.04401	63.2
136.04741	1.2
137.02338	6.5
137.05945	1.7
139.03889	58.8
140.04224	0.6
141.07011	1.0
143.04897	0.8
145.02821	1.2
145.06483	2.0
146.05954	0.6
147.04381	7.1
149.02332	9.5
149.05952	2.4
150.03168	0.7
151.03889	20.4
153.01808	1.6
153.07016	0.6
155.04933	1.6
157.06441	0.9
159.04402	4.1
160.07574	0.8
161.02296	1.0
161.05972	4.9
163.03885	62.0
164.04390	0.8
165.01794	1.1
165.05458	5.3
167.03445	4.6
169.04929	2.4
169.06412	1.3
171.04327	0.7
173.05975	5.1
175.03896	4.3
177.05469	7.2
179.03380	10.6
181.04951	1.3
181.06439	1.3
183.04381	2.1
185.06018	1.9
187.03867	7.9
189.05414	3.7
191.03374	13.6
193.04976	2.1
197.05998	3.8
199.03896	0.8
199.07654	0.6
201.05479	8.5
203.03389	15.0
203.07030	2.1
205.05009	3.7
207.02864	1.2
207.06523	1.7
213.05405	3.8
214.06059	0.6
215.03384	3.6
215.06981	2.1
216.03979	0.8
217.04936	4.3
219.06442	1.2
223.02365	2.3
225.05429	2.7
227.03397	1.4
227.06972	0.9
229.04944	14.1
231.02815	1.7
231.06508	4.5
233.04414	5.7
235.02313	0.8
237.05504	1.6
239.03485	0.6
241.04904	4.4
243.02780	1.6
243.06509	4.5
244.03651	1.3
245.04436	100.0
246.04820	2.0
247.05998	59.0
248.06357	1.3
251.05437	1.2
253.05005	3.5
255.06511	3.8
257.04425	17.6
258.05084	2.0
259.05991	15.1
261.07599	4.2
263.05530	1.6
265.05008	1.3
267.06540	1.2
269.04361	5.9
270.04956	0.8
271.06003	21.5
273.03918	1.1
273.07489	2.2
274.04694	3.8
275.05450	26.8
281.04382	2.3
283.05969	10.1
285.03876	2.6
285.07477	1.5
286.04678	1.0
287.05463	24.7
288.06033	0.8
289.07034	35.6
291.05777	0.9
291.08636	11.2
293.08231	1.4
295.05933	2.6
297.03912	2.4
297.07330	1.0
299.05475	5.2
301.07031	16.4
303.05020	1.9
303.08636	2.4
307.05991	1.7
309.03940	2.4
311.05536	1.9
313.07114	1.9
321.07559	1.1
323.05469	2.5
325.07150	1.1
331.08240	1.0
333.07431	0.8
335.05539	0.7
337.07013	0.9
349.06955	0.9
351.04910	2.8
361.06873	2.8
365.06512	2.2
377.06424	2.0
379.08020	5.1
383.07593	4.9
389.06522	2.1
391.08011	2.4
393.05957	4.9
395.07541	1.6
396.08618	0.7
397.09082	9.0
401.06738	0.9
405.05725	3.0
407.07593	31.6
408.07971	0.7
409.09131	28.1
410.09622	1.3
411.10730	3.0
419.07584	6.4
421.09155	2.5
425.08609	10.9
427.10245	16.5
431.07632	0.7
433.09192	1.7
435.10590	1.1
437.08643	12.6
439.10123	2.3
449.08615	2.7
451.10284	3.8
453.11859	2.9
499.12512	2.0
517.11450	1.4
527.09314	2.2
535.12726	2.9
541.11157	1.7
545.10663	7.0
559.12256	1.8
561.13550	1.0
571.11865	1.9
577.13544	1.5
579.14984	4.1
589.12488	0.8
679.15002	0.7
688.19104	1.1
697.15497	3.9
715.15906	1.2
850.23901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.4
67.01851	0.6
67.05479	1.2
68.99457	0.7
68.99791	7.2
70.28724	0.5
70.75237	1.9
77.03918	1.1
79.05486	1.4
81.03429	3.5
83.04975	1.1
83.06077	1.0
85.02882	1.0
89.03885	1.6
91.05482	0.9
92.36546	0.6
93.03400	1.5
95.04959	2.4
99.04448	1.7
103.09361	0.5
105.03337	1.4
107.04966	5.6
109.02900	3.2
111.00807	6.3
111.04451	7.7
115.05476	1.2
115.83205	0.6
117.03394	1.2
119.04927	1.9
121.02914	2.8
123.04427	54.8
127.03910	100.0
129.80928	0.7
131.04903	2.7
135.04410	56.2
137.02345	6.0
137.05972	1.1
139.03893	47.3
141.06949	1.3
143.04915	1.4
145.02823	1.0
145.06471	1.7
146.05980	1.2
147.04393	7.2
147.05524	0.7
149.02315	6.4
149.06013	3.1
151.03905	14.5
153.01845	0.8
153.07025	1.2
155.04924	2.1
157.06493	1.2
159.04378	4.6
161.02338	1.2
161.05923	4.7
162.72241	0.6
163.03896	56.5
164.04283	1.2
164.09352	0.6
165.01871	0.6
165.05460	3.8
167.03404	7.0
169.04942	2.6
169.06520	2.7
173.05975	6.3
175.03970	3.0
177.05467	5.8
179.03387	9.7
179.06976	0.7
181.04977	1.2
181.06488	1.1
183.04405	2.1
185.05960	2.1
187.03841	8.2
187.07614	0.8
188.07089	1.7
189.05475	2.4
191.03392	9.2
193.04974	1.8
197.06000	4.0
199.07655	0.7
201.05434	6.9
203.03392	14.2
203.07045	1.8
205.04897	4.0
205.09654	1.7
207.02879	1.3
207.06421	0.7
209.05989	0.6
211.03964	0.9
213.05434	3.1
215.03384	2.1
215.06979	3.4
217.04982	2.4
219.06541	1.5
221.04349	0.7
223.02341	0.9
225.05450	2.0
227.03496	0.9
227.07053	1.4
229.04935	10.0
231.02924	2.0
231.06538	2.3
233.04362	4.2
237.05402	1.2
241.04892	3.0
243.06526	4.8
245.04451	36.3
247.06012	51.9
248.06355	0.8
251.05566	1.1
253.04997	2.9
255.06447	3.6
257.04431	13.1
258.05136	1.7
259.02087	0.7
259.05994	12.8
261.07675	2.5
263.05640	1.0
265.05057	0.8
265.08273	0.8
267.06421	1.4
269.04468	4.8
270.05179	0.9
271.05991	22.8
271.08807	1.3
273.04004	1.1
273.07550	2.0
274.04712	2.1
275.05493	13.5
277.03485	0.8
279.06534	0.8
281.04422	3.5
282.05002	0.8
283.05963	8.6
285.03860	1.0
285.07770	0.9
287.05460	19.0
289.07040	33.0
291.08612	15.1
291.11655	0.9
293.04367	0.8
295.06088	2.9
297.03955	3.4
297.07281	1.1
299.05362	4.9
301.03589	0.9
301.07050	15.4
303.01413	0.9
303.08618	2.3
307.06091	1.5
309.04108	2.9
309.07162	0.8
311.05508	2.5
313.07193	2.9
323.05621	2.7
325.07086	0.8
331.08234	1.0
335.05386	0.8
337.07034	0.7
341.06638	1.1
345.02469	3.1
349.07065	0.9
351.04962	4.2
353.06393	0.7
361.07224	1.0
363.04755	0.9
365.06589	3.7
367.08054	1.0
367.14963	0.8
377.06531	2.5
379.08157	2.9
383.07507	8.5
389.06436	1.3
391.08038	2.1
393.05936	6.6
393.10452	0.7
395.07510	3.8
397.09012	4.6
401.06473	0.6
402.70206	0.7
405.05884	4.8
407.07599	14.2
409.03708	1.3
409.09161	26.5
411.10815	3.3
419.07614	4.0
421.09210	3.7
425.08704	7.1
427.10284	14.6
431.25375	0.6
433.09219	1.9
435.11133	1.5
437.08618	5.8
439.10052	3.3
449.08682	1.5
451.10443	2.7
453.11887	2.1
461.08386	0.7
517.11310	7.3
527.09851	3.6
529.11243	1.4
533.23627	0.7
535.12256	2.3
541.11090	0.9
545.10754	10.4
557.10999	1.0
559.13116	0.7
563.11536	0.8
571.12170	0.8
577.12842	0.8
579.15033	4.1
589.12988	0.8
679.14508	1.8
697.15295	6.4
715.16748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54477	0.8
65.03931	3.2
67.05487	1.7
68.99786	9.2
69.26891	6.1
72.28219	0.6
77.03902	2.0
79.05449	2.2
81.03410	4.0
83.04955	2.6
85.02869	3.1
88.66725	0.6
89.03917	4.4
90.25088	0.7
91.05474	1.7
93.03388	2.0
95.04940	2.8
97.02895	0.6
98.20799	1.6
99.04433	1.1
103.05464	0.7
105.03371	1.9
107.04954	6.8
109.02859	4.6
111.00803	9.1
111.04444	14.8
115.05406	1.1
117.03365	2.6
119.04933	2.6
121.02877	3.3
123.04421	94.0
124.04756	1.0
125.02346	0.7
127.03909	100.0
128.04294	0.9
128.06306	0.7
129.06937	0.9
131.04930	3.4
135.04407	79.5
137.02350	5.2
137.05945	0.8
138.62608	0.7
139.03894	68.4
140.04231	1.6
141.07016	1.4
143.04890	1.5
145.02899	1.5
145.06471	1.2
147.04408	10.8
147.29404	0.7
149.02333	8.6
149.05940	3.5
150.03105	0.9
151.03889	25.2
153.01831	1.5
153.05550	0.7
155.03574	0.7
155.04967	2.6
157.06557	1.3
159.04417	5.2
161.02391	1.1
161.05968	6.2
163.03894	78.8
164.04323	1.4
165.01898	1.9
165.05495	5.2
165.06822	0.9
167.03416	7.1
167.04799	1.0
169.05014	6.4
169.06540	2.6
171.04446	1.1
172.62993	0.6
173.05989	6.2
175.03874	5.9
176.04750	1.2
177.05458	8.3
179.03378	14.1
181.05035	1.7
181.06506	1.7
183.04387	3.5
185.06067	2.9
187.03871	9.1
187.07611	1.1
189.01904	1.4
189.05452	4.6
191.03352	12.9
193.04929	3.5
197.05974	6.5
199.03906	0.7
199.07503	0.8
200.04613	1.3
201.05449	10.7
203.03398	14.9
203.05161	0.9
203.07133	2.5
205.04922	3.6
207.02763	1.0
207.06609	1.3
209.06143	0.9
211.04062	0.8
212.91628	0.6
213.05440	5.1
215.03418	5.3
215.06963	4.0
217.04927	4.1
219.06660	2.0
221.06213	1.0
223.02335	3.4
225.05348	3.3
227.03432	1.6
227.07138	1.5
229.04967	14.6
229.07022	1.1
231.02979	1.7
231.06400	3.3
233.04482	4.7
235.02513	2.4
237.05528	1.5
239.07176	0.9
241.04868	4.4
243.06480	6.8
244.03844	0.9
245.04448	69.8
246.04863	1.6
247.06009	55.0
248.06418	1.2
251.05766	1.0
253.04869	4.3
255.06497	4.5
257.04425	23.2
258.05371	2.4
259.05960	11.8
260.06638	1.3
261.07458	4.4
263.05719	1.5
265.05148	1.5
267.06796	1.9
269.04388	7.0
270.05203	1.3
271.05978	36.2
272.06439	0.7
273.04501	0.9
273.07816	2.6
274.04886	1.9
275.05463	17.4
279.06747	1.4
281.02118	0.8
281.04749	3.0
282.05527	0.9
283.06003	13.0
285.04224	2.3
285.07816	2.6
287.05493	22.2
289.07053	45.1
290.07358	1.0
291.08643	15.7
293.04913	0.7
295.05963	5.2
297.04166	2.5
297.07623	1.3
299.05457	8.5
301.07047	16.8
303.05273	1.1
303.08841	1.5
307.06223	1.6
309.04193	2.2
311.05356	3.7
313.07043	5.0
315.50903	0.8
317.07034	1.2
319.06189	1.0
321.04105	1.1
321.07724	1.2
323.05423	3.8
325.07330	0.9
329.06940	2.4
331.08163	4.6
333.04230	0.7
335.05634	0.9
337.07364	1.0
338.84369	0.8
349.07370	1.6
351.05392	2.8
361.07465	2.7
363.09070	1.2
365.06998	2.1
373.07220	1.3
377.06973	2.6
379.08102	6.4
381.09961	1.7
383.08170	2.1
389.07086	3.0
391.08221	3.5
393.05957	5.5
395.08099	1.9
397.09177	4.1
403.08557	1.2
405.06519	2.9
407.07568	23.5
408.08359	0.9
409.09122	34.5
410.09787	0.9
411.10733	4.8
419.07544	6.4
421.09000	4.2
423.11404	1.1
425.08597	12.6
427.10205	16.1
431.08151	1.3
433.09122	5.8
435.11417	1.3
437.08542	7.6
439.10892	3.1
449.08456	3.8
451.10178	11.1
453.12433	1.8
467.10217	0.9
469.11746	1.5
485.12564	0.9
517.12177	2.5
527.09613	3.9
535.12701	1.4
541.12341	2.4
545.10797	8.2
553.12170	1.7
557.11890	1.6
559.12677	3.5
571.12476	5.4
577.13495	3.2
579.14948	5.4
589.14655	2.7
679.15833	2.3
697.15527	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	867.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.0
67.05502	1.4
68.99786	9.8
69.03419	1.1
70.90393	2.0
70.90726	2.2
72.12580	1.0
79.05486	2.5
79.22122	1.4
81.03407	4.1
82.03728	1.1
83.04977	2.4
85.02889	2.8
89.03912	3.4
91.05451	1.9
93.03405	2.5
94.12875	1.1
95.04953	4.2
96.93402	0.9
98.18793	1.1
99.11804	0.9
102.18375	1.0
103.05486	1.5
105.03384	1.7
107.04948	7.7
109.02836	3.6
111.00796	9.5
111.04440	20.0
112.87791	1.0
117.03387	1.8
117.06977	1.1
119.04906	4.7
121.02831	2.4
123.04420	100.0
124.04819	1.5
127.03910	84.3
128.04282	1.2
129.06984	1.1
131.04913	3.5
133.02861	1.3
135.04408	97.4
137.02322	7.7
139.03893	76.2
141.06952	2.0
143.04929	1.6
145.02817	2.1
145.06508	2.1
147.04420	11.0
149.02333	13.8
149.05969	4.3
151.03893	29.4
153.01848	2.2
153.05612	1.7
153.06958	1.8
155.04889	3.3
157.06465	2.0
159.04436	5.9
161.02399	1.5
161.05978	5.3
163.03893	79.7
164.04265	1.7
165.01871	1.6
165.05484	4.5
167.03394	5.7
167.04823	1.0
169.04927	3.8
169.06442	3.0
173.05940	6.3
175.03906	5.7
175.07553	1.6
177.05482	9.5
179.03384	15.8
181.04944	2.1
181.06488	2.4
183.04350	2.7
185.05988	3.0
187.03851	10.3
189.05438	5.6
191.03380	15.0
193.04961	4.8
197.05986	4.8
199.03880	2.1
201.05469	12.1
203.03387	16.4
203.06876	2.3
205.04919	3.9
207.02907	1.3
207.06528	2.9
211.07190	1.0
213.05472	4.9
215.03355	4.5
215.06972	4.0
217.04930	3.6
219.06538	1.5
221.06020	1.5
223.02322	4.6
225.05458	2.6
229.04967	18.4
231.06473	6.8
233.04485	5.0
237.05341	2.0
241.04929	5.5
243.06454	7.3
244.03705	1.7
245.04446	92.6
246.04738	3.2
247.06009	61.4
248.06378	2.4
253.04916	4.4
255.06488	3.9
257.04431	24.6
258.05203	2.5
259.05988	18.3
261.07568	5.8
263.05444	1.8
265.04974	2.0
267.06494	2.6
269.04507	8.1
270.05200	2.2
271.05991	34.1
273.07559	2.8
274.04715	3.0
275.05435	18.3
279.06595	1.2
281.04367	3.9
283.05945	13.6
285.03845	2.7
285.07361	1.9
287.02625	1.9
287.05502	23.0
289.07040	49.7
291.08676	12.7
295.06027	4.0
297.03885	2.7
297.07153	1.0
299.05429	7.7
301.07062	18.3
303.05139	1.5
303.08847	2.2
307.06039	1.7
309.03989	1.9
311.05414	3.7
313.07159	2.4
321.07675	1.6
323.05426	3.5
331.08099	2.8
333.07309	1.6
337.07153	1.3
341.06570	1.9
345.07483	1.7
351.04871	3.1
361.07019	3.5
365.06500	3.2
377.06616	1.7
379.08075	8.4
381.09790	1.1
383.07462	4.6
389.06516	2.9
391.08090	4.0
393.05933	4.8
395.07642	2.3
396.08124	1.3
397.09271	6.0
405.06064	5.0
407.07611	29.6
409.09207	34.1
411.10907	5.3
415.10037	1.4
419.07492	8.0
421.09122	4.4
425.08679	16.2
427.10217	13.2
431.07559	1.1
433.09213	4.4
435.11127	1.7
437.08594	10.6
439.10074	2.8
449.08536	4.6
451.10205	8.8
453.11719	2.7
467.09100	1.6
469.11545	1.4
527.09644	2.9
535.12415	3.0
541.10913	3.1
543.12463	1.3
545.10742	8.3
553.11090	2.4
559.11969	2.3
571.12701	7.4
577.13153	4.5
579.14862	5.6
589.13068	3.2
679.13953	1.4
697.15155	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	863.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	26.4
65.03921	5.2
67.05499	59.4
69.03425	46.6
69.07051	18.0
69.26645	1.7
71.01338	4.3
71.04986	10.9
71.52562	3.8
73.02914	13.9
77.03899	1.9
79.05486	61.3
81.03413	56.5
81.07050	59.8
83.04975	16.9
83.08615	9.4
83.82533	1.9
85.02899	41.0
85.06549	3.3
86.09706	3.8
87.04463	2.1
91.03967	15.8
91.04904	4.0
91.05470	64.0
92.05861	2.1
93.07037	52.6
95.04960	18.8
95.08598	36.7
96.53736	1.8
97.02882	49.2
97.06518	6.5
97.10148	6.4
99.04449	12.6
101.02381	6.4
103.05474	2.2
105.04511	2.2
105.06317	2.8
105.07022	55.7
107.04955	13.6
107.08582	24.4
109.02872	12.8
109.06483	8.4
109.10136	13.9
111.04420	4.5
111.08056	3.3
115.03907	2.4
115.05412	5.1
117.07001	24.0
119.07710	2.0
119.08576	41.3
121.06495	5.4
121.10125	15.6
123.04410	3.2
123.08064	7.2
123.11675	2.9
125.09623	5.4
127.03901	24.3
128.06204	6.7
129.05437	5.9
129.06985	24.7
131.04893	3.5
131.08563	33.2
133.06500	6.1
133.10147	22.8
135.08064	4.5
135.11662	10.1
137.09636	4.8
140.42125	1.8
141.07005	11.8
142.07784	5.8
143.08548	29.2
145.04956	6.5
145.06441	9.3
145.10104	30.1
147.08073	3.5
147.11661	22.1
149.09627	5.3
149.13254	6.3
151.11209	3.1
153.06947	2.5
154.07771	6.1
155.08536	19.5
156.09267	3.1
157.06531	2.8
157.10130	22.8
159.08020	3.7
159.11678	18.8
159.61011	1.9
161.09587	3.8
161.13222	9.6
163.11203	3.2
165.06982	4.4
166.07773	2.2
167.08542	10.7
168.09386	3.1
169.10104	22.8
171.08133	3.9
171.11665	21.9
173.04449	20.9
173.09618	2.6
173.13245	7.9
175.11212	5.0
175.14847	4.1
177.12723	5.1
179.08521	5.3
180.09113	2.4
181.10091	16.5
182.10973	2.5
183.11665	14.9
184.07329	8.1
185.09622	3.2
185.13226	13.4
187.11206	5.5
187.14807	3.5
189.12752	4.6
191.08505	2.7
193.10109	5.6
195.08049	2.3
195.11700	11.9
195.13313	2.0
197.13249	13.3
199.06001	2.2
199.11191	3.8
199.14883	6.3
201.12700	2.3
201.16501	2.3
205.10190	2.2
207.11681	9.3
207.13763	6.7
209.13268	11.5
211.14783	8.6
213.16386	2.1
215.17929	2.3
217.16016	2.1
219.11699	3.3
219.13853	1.9
221.13245	6.0
223.14783	6.0
225.12767	2.1
233.13222	4.2
235.14862	3.5
237.16542	2.8
241.14308	2.5
241.19487	4.2
249.16386	3.7
259.20544	8.0
261.22186	2.9
279.15790	13.2
281.14407	3.1
281.17444	11.9
287.16440	1.9
313.21643	2.4
315.23083	3.5
321.21973	3.9
323.23495	3.7
333.24265	6.7
367.22882	2.1
372.20963	2.0
425.21500	2.6
437.34161	2.2
445.30954	2.5
447.32294	13.2
465.33554	8.1
483.34909	4.7
489.33798	2.4
503.34464	2.1
521.36035	7.9
529.38708	8.4
535.25372	1.9
537.35681	4.5
539.37274	100.0
540.37799	5.1
541.38831	3.7
551.37134	3.7
555.35962	2.5
557.38239	18.2
581.38104	5.4
605.38422	2.7
619.39423	3.5
629.38013	3.2
647.38660	6.6
665.40173	9.4
683.40948	13.8
701.42456	45.0
827.42688	3.1
863.48474	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02812	4.9
61.03148	1.3
67.05375	6.0
67.05775	1.6
69.03303	3.2
69.03709	1.3
69.06941	2.6
69.07371	0.8
69.42445	4.4
70.18488	0.5
71.01261	0.6
71.04895	0.5
73.02788	3.4
73.03224	0.7
77.03792	0.5
77.26599	0.5
79.05356	7.2
79.05856	1.1
81.03286	3.2
81.06916	7.1
81.07427	0.9
83.04847	2.0
83.05307	0.9
83.08498	1.3
85.02763	4.6
85.06435	0.7
86.09567	1.9
87.04373	0.7
91.03806	3.1
91.05334	5.1
93.06895	5.8
95.04813	2.3
95.08453	3.3
97.02733	5.5
97.06419	0.8
97.10030	1.0
99.04342	0.9
101.02216	1.9
105.06872	5.0
107.08437	2.5
109.02766	1.3
109.06355	0.5
109.09985	1.7
111.74286	0.5
115.03778	0.9
117.06842	1.8
119.08552	2.8
121.06319	0.6
121.09965	1.6
123.07870	0.6
124.99899	0.7
127.03729	1.6
129.05357	0.9
129.06879	0.9
131.08475	1.2
133.09961	2.0
135.11583	0.9
139.27344	0.6
143.08455	0.8
145.09911	1.3
147.11632	2.4
149.13171	0.5
151.11060	0.6
159.49524	0.5
161.13156	1.1
163.79233	0.5
171.11502	1.5
184.07324	6.0
185.04118	1.2
185.07605	0.7
189.12708	0.8
201.03447	1.0
203.05128	1.2
224.48335	0.5
243.08382	4.4
247.12846	0.9
247.70198	0.5
287.15930	0.6
301.08832	2.7
303.15674	0.6
310.66574	0.7
315.10440	1.1
315.18942	0.5
316.50507	0.5
333.17014	0.5
333.20410	4.1
341.11765	0.5
373.10944	1.0
385.18414	2.5
389.22653	1.1
439.19168	2.1
453.20770	1.5
465.20938	15.3
466.21411	0.7
481.20227	1.1
495.21899	0.6
506.88837	0.5
525.22614	4.0
533.27155	1.4
535.28851	4.8
549.26184	0.5
551.28363	12.5
594.29968	0.8
597.31683	0.5
607.30811	1.3
609.32892	1.2
613.36884	1.2
641.37439	0.8
651.33301	0.8
677.38000	0.8
693.34735	0.7
695.40338	2.8
705.34802	2.7
707.39526	1.5
733.41040	1.7
745.41406	2.1
763.42346	3.4
775.42328	100.0
776.42743	9.0
798.95294	0.6
843.48511	12.7
844.49054	1.2
861.49066	53.7
862.49188	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.1
67.05499	5.4
69.03423	2.6
69.07061	2.9
69.25356	2.6
71.01363	0.5
71.04979	0.8
73.02912	3.0
79.05487	4.4
81.03417	2.5
81.07050	6.0
83.04993	0.9
83.08631	0.7
85.02897	3.3
85.03381	0.3
85.06521	0.3
86.09723	0.9
87.04472	0.4
91.03939	2.2
91.05476	3.5
93.07037	4.0
94.39664	0.2
95.04997	1.5
95.08606	2.5
97.02892	4.1
97.06525	0.8
97.10160	0.5
98.21572	0.5
99.04468	0.6
101.02383	1.5
103.03899	0.4
103.05502	0.6
105.07025	2.6
107.04950	0.6
107.08575	2.7
109.02861	0.5
109.06542	0.5
109.10159	1.1
111.08071	0.5
117.07050	0.9
119.08568	1.9
121.06485	0.4
121.10166	1.0
123.08083	0.3
123.11739	0.3
125.00039	0.8
125.09635	0.5
127.03926	0.9
129.07043	0.5
131.04924	0.6
131.08575	1.0
133.10127	1.2
135.08051	0.3
135.11656	1.3
143.08571	0.5
145.10114	1.0
147.11728	0.8
149.09618	0.4
149.13246	0.6
151.11230	0.3
157.10121	0.4
159.11754	0.5
161.13242	0.4
163.11244	0.3
171.11768	0.3
184.07320	3.5
185.04312	0.6
185.07767	0.6
203.05328	0.7
243.08376	2.9
250.46440	0.2
259.07788	0.3
271.65289	0.2
303.19342	0.3
315.10385	0.4
333.20294	3.0
389.23059	0.9
404.80597	0.3
439.19339	1.5
453.20853	1.7
457.78641	0.2
463.57346	0.3
469.20392	0.6
551.28271	11.5
552.29083	0.6
623.30280	0.3
763.42017	0.7
848.33624	0.3
861.49561	100.0
862.49884	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	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	0.7
61.02919	3.1
65.03928	0.5
67.05499	4.0
69.03430	2.6
69.07067	2.5
70.65930	0.4
71.01371	0.4
71.04989	0.8
73.02910	2.3
77.73893	0.3
79.05488	4.7
81.03411	2.0
81.07046	5.1
83.04974	0.8
83.08591	0.5
85.02895	3.7
85.06535	0.3
86.09700	2.1
87.04491	0.4
91.03941	2.3
91.05469	4.3
93.07022	3.9
95.04938	1.6
95.08595	2.4
97.02886	3.0
97.06521	0.7
97.10149	0.5
98.98501	0.5
99.04428	0.4
101.02399	1.1
103.03966	0.4
104.10720	0.4
105.07017	2.6
107.04984	0.6
107.08582	2.3
109.02867	0.7
109.06522	0.6
109.10150	1.0
111.08109	0.4
117.07029	1.2
119.08595	1.4
121.10169	1.3
122.11357	0.4
123.08039	0.5
123.11777	0.4
124.99995	1.9
125.09626	0.4
127.03934	0.9
129.07050	0.4
131.08612	0.9
133.10136	1.5
135.08054	0.5
135.11711	1.0
136.06154	0.5
145.10161	0.8
147.11722	0.9
149.09628	0.4
165.10416	0.4
173.13313	0.3
184.07330	9.0
185.04362	0.4
185.07707	0.8
185.45155	0.3
203.05295	0.3
209.98721	0.3
221.11435	0.4
237.05563	0.4
243.08334	2.9
259.07864	0.4
267.16061	0.5
303.19614	0.5
322.90128	0.3
333.20364	3.0
389.23083	1.1
439.19452	1.6
453.20856	1.6
469.20563	1.1
551.28229	12.0
551.36328	0.7
552.28522	0.7
763.42303	0.5
861.49561	100.0
862.49969	11.8
862.66809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4805
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.08166	1.1
61.02926	5.4
67.05499	7.6
69.03428	4.5
69.07063	3.2
71.05001	1.0
71.07363	1.1
71.51827	1.3
73.02915	3.4
79.05494	7.7
81.03417	3.4
81.07052	8.3
83.04964	1.8
83.08610	1.4
85.02904	4.6
85.39037	0.8
86.09707	5.4
89.24410	0.8
91.03953	3.2
91.05476	7.8
93.07035	8.0
95.04974	3.5
95.08614	4.2
97.02879	4.2
97.06528	0.8
97.10202	1.1
101.02365	2.0
105.07041	4.8
106.07367	0.9
107.04945	1.8
107.08616	5.1
109.06518	1.3
109.10117	2.1
111.08030	1.0
117.06995	2.7
119.08605	3.9
121.10184	3.1
124.99973	4.2
125.09609	1.7
127.03905	2.1
129.07021	1.0
131.08560	2.4
133.10141	3.5
135.11726	1.6
143.08574	1.3
145.06499	1.2
145.10165	1.8
146.13696	0.8
147.11810	2.0
157.10153	1.2
159.11690	1.3
171.11757	1.2
173.13286	1.0
184.07318	19.9
185.04279	1.4
185.07762	1.4
227.12872	1.1
243.08421	6.4
259.20544	1.2
269.17786	1.0
279.41983	0.8
301.09009	1.6
301.14325	1.6
315.10587	1.4
317.20950	1.0
355.13705	1.2
373.23740	1.4
465.21085	2.7
481.20688	1.1
519.21997	9.2
525.23773	1.1
535.28766	11.6
549.26941	1.7
551.28143	2.5
607.30878	1.2
785.45050	1.7
813.43878	39.4
814.43970	2.2
841.47266	3.9
842.47546	1.4
859.48016	100.0
860.49182	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	858.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.8
65.03921	4.0
67.05502	98.0
68.05811	2.0
69.03428	15.0
69.07065	37.0
69.27975	11.8
70.07373	1.7
70.31969	1.1
71.05000	7.2
71.08627	11.9
73.02898	5.0
77.03952	1.4
79.05489	72.9
81.03412	15.5
81.07053	100.0
82.07391	1.6
83.04977	17.4
83.08614	21.6
85.02901	8.7
85.06525	4.0
85.10156	2.3
86.09697	3.9
89.57896	1.2
91.03961	2.5
91.05476	70.0
93.07038	81.0
95.04964	18.4
95.08601	57.1
97.02892	9.6
97.06525	15.0
97.10155	11.0
99.04419	4.4
99.08083	12.3
103.03964	1.6
103.05451	2.8
103.44500	1.1
105.04514	1.9
105.07021	54.3
106.07278	1.2
107.04962	8.3
107.08585	51.2
109.02866	3.5
109.06514	7.5
109.10155	25.8
111.04441	2.9
111.08080	7.0
113.09627	1.5
117.07000	25.8
119.08578	39.1
120.08949	1.2
121.06477	6.4
121.10130	27.6
123.08043	4.5
123.11703	5.3
124.99985	4.6
125.09637	7.4
127.03868	5.0
128.06244	3.5
129.05464	3.9
129.06987	14.7
131.08559	33.5
133.06439	2.5
133.10118	31.7
135.08029	5.8
135.11688	21.6
137.09583	5.2
139.11140	1.8
141.06967	4.5
142.07784	2.6
142.13368	1.1
143.08572	14.6
144.09297	1.2
145.04977	2.4
145.06451	2.3
145.09058	2.3
145.10117	26.2
147.07991	2.1
147.11688	18.5
149.09605	10.4
149.13234	12.1
151.11150	7.1
155.08533	4.5
155.10696	1.6
157.06337	1.1
157.10103	12.1
159.11671	19.1
161.09627	2.2
161.13278	12.2
162.44458	1.1
163.11165	10.5
163.14812	4.5
165.12695	2.1
167.08586	1.7
169.10143	6.5
171.11703	10.8
173.04404	1.5
173.09674	1.4
173.11832	2.7
173.13251	10.4
175.11121	2.1
175.14769	5.4
177.12708	5.5
177.16397	2.2
179.08447	1.3
179.14337	3.6
181.10097	4.1
183.11720	6.8
184.07329	17.5
185.13220	6.4
187.11168	1.2
187.14891	6.4
187.16203	1.4
189.11201	3.6
193.12314	1.8
195.11716	3.9
195.13780	6.0
197.13239	5.1
199.14856	3.2
201.16391	2.4
207.13759	2.2
209.13147	1.9
211.14854	2.0
213.16547	2.2
223.14931	1.9
225.16345	2.0
227.12746	4.6
227.17908	1.5
229.14326	4.3
229.19553	3.4
233.15353	1.7
239.17967	1.9
241.19501	4.3
243.21042	5.7
247.20572	1.9
249.22112	1.3
255.15852	4.8
255.47647	1.3
256.55692	1.2
257.18964	6.7
259.20499	7.9
261.22174	6.5
267.15747	3.4
269.17413	21.5
273.18240	1.7
275.20007	14.3
277.21655	6.8
283.20685	1.4
285.22043	1.5
291.19412	1.7
293.20889	2.7
297.22147	1.5
301.21768	1.5
315.23166	1.5
317.24850	2.7
327.23260	1.7
333.24304	5.7
335.25842	14.6
349.23648	9.5
351.25327	6.8
367.25052	2.0
433.30692	1.6
437.33963	2.9
447.31091	1.5
449.28949	2.5
451.32031	1.9
463.15179	1.4
463.30490	5.2
511.37741	1.9
513.35608	5.7
515.37170	10.8
517.39874	1.8
527.37219	8.8
529.38940	19.0
543.36694	4.9
545.38000	3.9
547.39502	2.0
549.26691	2.1
591.43463	1.4
609.45184	12.1
610.44104	1.6
627.46118	10.0
773.40399	9.2
859.47211	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	858.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.0
65.03944	4.9
67.05503	100.0
69.03428	15.7
69.07064	37.1
69.59005	2.0
71.04978	6.1
71.08624	7.6
73.02907	4.3
79.05491	86.2
80.47845	2.0
81.03419	16.8
81.07055	97.0
83.04978	19.0
83.08612	15.8
85.02900	12.5
85.06534	6.7
91.03975	4.8
91.04911	4.4
91.05476	80.9
93.07042	88.4
95.04963	19.6
95.08605	64.9
97.02875	14.0
97.06522	16.5
97.10200	10.2
98.20728	4.8
99.04469	4.0
99.08091	10.3
100.11275	2.3
103.05410	2.6
105.07027	61.7
107.04956	8.9
107.08596	47.1
109.02919	3.1
109.06512	7.4
109.10158	24.7
111.08076	6.5
113.00652	2.1
113.09685	2.3
115.05432	2.3
117.07021	28.9
119.08581	46.7
121.06498	2.4
121.10144	32.8
123.08074	6.0
123.11701	8.1
125.09631	5.9
127.03931	8.1
128.06194	2.6
129.05492	8.3
129.07013	15.5
131.08560	42.0
133.10129	39.0
135.08049	3.0
135.11664	20.7
137.09599	5.5
137.13164	2.4
139.11208	3.7
141.06967	4.6
143.08583	12.9
145.04926	3.1
145.10104	28.3
147.11705	20.4
149.09625	6.1
149.13251	20.5
151.11174	6.4
155.08565	9.0
157.10161	11.1
159.11693	25.1
161.09726	2.9
161.13298	17.4
163.11172	7.8
163.14851	4.9
169.10165	10.8
171.11679	11.0
173.13252	12.2
175.11157	3.2
175.14781	6.2
177.12749	4.4
179.14398	2.5
181.10132	3.2
183.11684	7.3
184.07333	4.2
185.13272	7.6
185.36490	2.2
187.14847	8.8
189.12801	2.9
193.12219	2.3
195.11800	4.2
195.13791	5.9
197.13283	5.1
199.14842	7.6
201.16586	3.4
203.14471	2.2
207.13754	2.8
209.13350	3.1
211.14862	2.9
213.16547	3.1
215.17943	4.0
225.16455	4.0
227.12854	3.0
229.14357	2.8
229.19493	3.3
235.68109	2.2
239.18211	2.3
241.19641	3.6
243.21143	6.8
247.20688	2.6
257.18951	4.1
259.20532	11.6
261.22195	6.0
267.16061	2.7
269.17493	14.8
275.20035	7.2
277.21698	3.2
281.17374	3.6
293.21014	4.1
297.22165	3.0
311.23697	2.4
315.23114	2.5
323.23563	2.2
333.24265	7.1
335.25854	15.8
349.23703	7.6
351.25262	2.5
453.33481	2.9
455.35358	2.2
515.37952	2.1
519.42303	2.9
527.25659	2.3
527.37042	9.6
529.39014	10.6
593.44885	3.1
609.45325	3.3
611.46814	26.3
627.45996	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	858.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	6.3
65.03934	1.7
67.05504	30.7
68.03876	0.5
69.03410	1.5
69.06726	0.8
69.07066	8.3
69.51185	3.7
71.04973	1.6
71.07373	2.8
79.05489	16.8
81.03413	1.8
81.07050	19.2
83.04969	1.6
83.08624	4.0
85.02902	1.1
85.06536	1.6
86.09705	28.8
91.05478	16.4
93.07040	18.2
95.04980	2.6
95.08601	11.0
97.02901	0.7
97.06526	2.3
97.10168	2.6
98.20835	1.1
98.98452	2.3
99.08057	0.7
103.05460	0.5
104.10705	3.2
105.07025	17.3
107.04937	1.1
107.08582	11.5
109.06503	1.8
109.10152	16.0
111.08081	1.9
117.07015	6.4
119.08579	14.4
121.06498	0.7
121.10155	6.7
123.11707	1.4
124.99994	17.8
125.00907	1.1
125.09618	2.0
126.53381	0.5
128.06158	0.7
129.06992	4.0
131.08542	8.4
133.06476	0.6
133.10121	11.3
135.08037	1.5
135.11703	5.2
137.09598	1.6
142.07774	1.0
143.08575	3.9
145.10121	7.6
147.07957	0.6
147.11670	9.4
149.09630	2.1
149.13258	4.0
151.11137	0.6
155.08568	1.9
155.10597	0.6
157.10103	4.2
159.11694	6.3
161.13248	6.1
163.11249	0.8
163.14754	0.7
165.12791	0.5
167.08525	0.7
169.10139	2.2
171.11665	4.2
173.11714	3.5
173.13268	2.9
175.14833	1.9
177.12708	0.7
181.10123	1.2
183.11604	2.5
184.07335	100.0
185.07660	0.8
185.13277	3.2
187.14778	1.4
193.10179	0.7
195.11732	0.9
197.13226	1.4
199.14771	1.8
209.13237	1.0
211.14803	1.2
213.16335	1.0
223.14886	0.5
227.12756	3.8
229.14314	10.8
231.21036	1.0
241.19531	4.4
241.85950	0.5
257.19089	1.0
259.20581	12.9
261.22073	0.7
267.15787	0.6
269.17419	2.5
275.20068	4.6
293.21213	1.0
297.22198	0.6
315.23096	1.4
331.22839	0.5
333.24203	12.3
334.24487	0.6
349.23734	1.8
367.24799	3.7
426.27011	0.6
435.32599	0.7
487.34146	3.3
505.35272	5.9
506.35379	0.8
509.36108	0.6
513.35535	1.7
515.38141	1.3
527.37286	6.8
533.39984	1.1
545.38354	2.1
551.40894	1.0
589.41632	0.6
607.43408	6.9
625.44379	7.5
626.44751	0.7
643.45441	1.1
724.45148	0.9
840.52209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.2
62.77673	2.3
65.03934	6.0
67.05502	89.1
69.03429	12.8
69.07066	40.6
70.13772	4.7
70.14169	3.0
71.04973	7.3
79.05491	97.0
81.03416	21.3
81.07052	98.2
83.04974	17.5
83.08157	3.0
83.08618	36.7
85.02879	6.6
85.06531	4.9
86.09692	7.9
91.05475	76.5
92.05801	2.1
93.07043	77.1
95.04958	22.4
95.08605	49.6
97.02896	5.4
97.06533	20.2
97.10166	64.4
99.04424	2.3
99.08124	3.2
103.05438	4.5
104.10724	2.2
105.07030	61.5
107.04957	16.8
107.08588	100.0
108.08949	2.5
109.02862	3.9
109.06534	14.4
109.10156	28.3
111.04477	2.9
111.08078	6.3
115.01304	1.9
115.05417	2.2
117.07011	27.5
119.06071	2.2
119.08578	48.6
121.06482	6.8
121.10133	21.5
123.08055	5.9
123.11691	7.3
125.00010	4.5
125.09629	57.3
127.03922	6.7
128.06204	1.8
129.07007	14.5
130.07787	2.3
131.08569	34.7
133.06552	2.6
133.10130	42.8
135.08064	15.4
135.11705	19.2
137.09621	2.9
139.11121	2.4
142.07773	2.8
143.08565	12.3
143.10632	3.3
145.10110	37.7
147.08035	4.5
147.11684	20.2
149.09622	20.4
149.13274	12.2
151.11165	6.0
153.09126	3.9
155.08568	6.3
157.10114	14.5
159.11671	29.3
161.09607	4.3
161.13248	9.0
163.11162	16.5
169.10083	7.9
171.10246	3.3
171.11670	10.0
173.11836	3.5
173.13272	10.9
175.11182	4.3
175.14693	3.1
177.12688	4.5
179.08582	2.0
179.14261	5.0
181.10052	2.9
181.12236	2.5
183.11624	9.4
184.07352	25.5
185.13206	7.4
187.11220	1.8
187.13264	3.0
187.14793	4.3
189.09451	2.1
189.11212	39.4
189.12674	1.6
191.14285	2.5
193.12250	2.4
195.11929	1.8
195.13760	6.4
197.13278	8.0
199.14900	3.5
200.62196	1.8
201.12703	3.8
227.12779	91.4
229.19554	5.7
233.15433	2.7
235.06111	1.9
239.17902	11.2
245.13841	12.5
255.15689	10.4
257.18988	23.8
269.17389	23.2
273.18481	2.5
275.20062	90.8
276.20490	2.4
291.19623	5.4
293.21045	7.3
299.20401	2.1
299.23752	2.6
313.21561	2.9
315.23260	2.6
331.22681	6.6
347.21811	2.3
349.23703	84.1
350.24020	4.4
363.26538	2.7
367.24734	5.6
385.46899	2.6
397.22208	4.1
425.25412	3.6
433.30554	2.6
439.26801	12.3
451.31973	2.8
463.30896	2.3
501.31506	2.8
503.33917	2.4
511.34244	2.4
519.33234	13.4
525.35529	5.2
529.35449	17.7
543.36829	59.4
544.36969	3.5
559.36371	3.4
583.30865	3.8
583.39490	2.9
605.41858	2.4
623.43097	35.7
624.43237	4.6
641.44421	17.8
764.53003	2.3
857.47809	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.7
61.78613	1.0
65.03936	4.8
67.05504	83.3
69.03430	11.5
69.07068	42.9
69.24580	3.2
69.25002	8.7
71.01331	1.9
71.04986	7.5
73.02913	2.0
77.66092	1.1
79.05021	2.6
79.05490	70.4
81.03414	18.5
81.07053	100.0
82.07361	1.2
83.04981	14.4
83.08150	2.0
83.08618	20.4
85.02898	7.5
85.06534	4.8
85.45639	1.1
86.09705	2.9
87.04444	1.5
91.03965	1.8
91.05478	60.4
93.07042	74.1
94.07388	1.3
95.04966	16.4
95.08603	45.5
97.02877	6.0
97.06528	22.5
97.10161	13.6
99.04469	3.3
99.08109	4.0
103.05487	2.7
104.48508	1.0
105.07030	52.7
107.04949	11.8
107.08589	52.4
107.09320	2.1
109.02886	1.5
109.06514	9.6
109.10150	19.3
111.04434	2.0
111.08092	8.0
113.09634	3.2
115.05491	2.7
117.07017	22.2
119.08579	36.7
121.06487	6.0
121.10151	22.1
123.08063	6.9
123.11716	6.3
125.00003	2.6
125.09621	12.1
127.03918	4.9
128.06239	2.7
129.05559	2.2
129.07008	9.1
130.07770	2.4
131.08559	31.8
133.06477	3.4
133.10127	37.0
135.08037	7.1
135.11679	19.4
136.10083	1.2
137.09612	5.0
139.11194	2.2
141.07025	3.5
142.07745	1.2
143.08548	8.1
144.09273	1.1
145.04875	1.3
145.06493	1.6
145.09068	1.9
145.10127	24.9
147.08005	3.0
147.11681	17.7
149.09621	20.9
149.13255	16.0
151.11163	4.0
153.07010	1.4
153.09105	2.6
154.07742	1.5
155.08543	4.3
157.10147	10.1
159.11693	20.8
161.09665	2.7
161.13255	7.9
163.11166	14.7
165.09044	1.4
165.12727	3.1
167.08508	2.1
169.10130	6.6
171.10222	2.0
171.11635	7.5
173.04453	3.9
173.11876	2.3
173.13206	8.0
175.11156	1.9
175.14857	1.3
177.12746	8.3
179.14275	5.2
181.10040	1.5
181.12253	3.0
183.10258	1.1
183.11617	5.4
184.07333	14.0
185.13269	4.0
187.11258	2.0
187.14862	4.7
189.11243	6.3
189.12747	2.2
193.10214	1.3
195.12016	1.6
195.13803	8.1
197.13263	4.0
199.14859	1.7
201.12776	1.8
201.16371	1.5
203.14284	1.4
209.13268	1.6
211.14778	3.0
213.14668	1.3
213.16486	1.8
215.14360	1.7
215.17960	1.3
217.15846	1.9
225.16354	1.4
227.12729	14.0
229.14459	3.4
229.19524	4.7
233.15317	1.5
239.17966	5.8
245.13802	1.7
247.20586	4.0
253.14238	1.4
253.18044	1.4
255.15880	16.2
256.16171	1.4
257.19019	16.5
267.15942	4.3
269.17477	42.3
273.18652	1.4
275.20062	52.5
277.21753	1.7
293.21118	3.6
309.20483	1.2
321.16849	1.3
321.24203	1.7
331.22650	4.6
349.23724	53.0
353.24796	1.3
367.24664	5.5
407.51428	1.3
413.21329	1.4
423.27615	1.3
431.27994	2.1
433.30658	2.1
435.27191	2.3
445.29245	3.3
449.28946	24.5
451.32492	1.2
463.30505	24.7
469.33426	1.5
499.34546	1.3
503.33438	2.3
511.34900	1.7
515.37213	2.3
519.33014	2.9
525.35492	3.3
529.35339	12.7
543.36829	45.4
544.37042	3.1
547.36090	2.2
561.37811	6.1
607.34399	1.6
623.42987	9.3
641.43762	5.1
687.41943	1.4
741.43323	1.2
832.90485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.2
62.86106	1.3
64.03222	1.5
65.03933	4.6
67.05501	84.7
68.05820	1.6
69.03423	12.1
69.07065	42.7
69.42953	10.5
71.01349	3.2
71.04984	8.8
73.02927	1.9
77.03938	1.8
79.05491	74.2
81.03423	17.2
81.07050	100.0
83.04977	14.5
83.08615	21.0
85.02907	7.1
85.06527	5.7
86.09700	1.7
91.05473	64.9
91.54097	1.4
93.07038	72.6
95.04958	15.4
95.08604	44.6
97.02898	5.5
97.06527	22.3
97.10168	12.2
98.20882	2.7
98.21513	3.2
99.04423	1.9
99.08088	3.2
103.05450	2.7
105.04501	2.5
105.07026	45.7
107.04949	12.7
107.08585	46.6
109.02915	1.8
109.06499	9.2
109.10150	16.2
111.08064	9.8
113.09628	2.5
115.05461	1.9
116.06213	2.0
116.22345	1.5
117.07009	25.3
119.08579	35.1
121.06508	6.8
121.10133	25.7
123.08101	7.9
123.11708	6.2
125.09649	7.6
127.03903	4.1
128.06229	2.0
129.05478	2.8
129.07004	11.3
131.08559	27.1
133.06491	3.6
133.10114	31.7
135.08075	6.8
135.11679	25.5
137.09605	6.4
141.06958	2.8
142.07797	2.4
143.08562	5.3
144.09286	1.7
145.06487	1.9
145.10115	24.3
147.08038	3.0
147.11656	17.3
149.09627	15.7
149.13252	15.5
151.11147	3.9
155.08528	5.4
157.06396	1.6
157.10112	6.3
159.08070	2.3
159.11682	20.5
161.09605	2.5
161.13257	6.8
163.11130	9.8
165.12746	2.3
169.10132	5.0
171.11661	6.4
173.04442	3.0
173.09541	3.3
173.13255	6.6
175.11261	1.8
177.12717	6.6
179.10875	1.6
179.14276	5.6
183.11700	4.1
184.07271	8.2
185.13229	2.8
187.11256	2.4
187.14780	2.5
189.11224	3.5
191.14398	1.4
195.12013	1.8
195.13731	9.0
197.13229	5.1
199.14838	1.9
201.12671	1.7
227.12836	8.2
229.19434	3.1
239.17915	4.7
247.20464	3.4
251.16356	2.8
255.15724	11.8
257.18945	10.8
267.15942	2.5
269.17453	48.9
270.17868	1.8
275.20068	40.3
276.20474	2.1
292.19839	2.3
293.21213	3.0
320.22186	1.6
331.22705	2.4
349.23721	32.6
367.24814	4.1
431.27924	1.6
433.30801	2.3
445.29312	1.9
449.22849	1.9
449.28891	23.6
463.30551	35.4
464.30850	2.6
469.32788	1.9
525.35352	3.6
529.35205	6.8
543.36768	37.3
544.37170	3.4
547.36060	2.3
561.37708	6.5
607.34424	2.9
623.42584	5.0
641.43536	2.8
827.89178	1.6
857.46631	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.6
65.03931	5.9
66.04743	1.1
67.05501	99.9
68.05804	1.3
69.03420	15.7
69.07064	39.3
71.00925	1.8
71.01317	3.5
71.04996	6.9
71.08629	1.9
73.02919	2.7
77.03898	1.7
78.04706	1.0
79.05488	89.3
80.06277	1.2
81.03419	16.9
81.07050	100.0
83.04975	18.9
83.08611	19.3
85.02889	11.8
85.06527	5.2
91.03940	3.2
91.05476	99.9
92.06304	1.1
93.07036	91.0
94.07390	1.1
95.04960	22.5
95.08602	62.3
97.02901	11.4
97.06521	14.1
97.10152	6.5
98.09686	3.3
99.04442	3.5
99.08088	4.6
103.03929	1.2
103.05466	4.4
105.04568	2.9
105.07026	87.9
107.04943	6.9
107.08584	47.9
109.02860	1.9
109.06532	9.6
109.10149	18.7
110.29472	1.0
111.04465	2.4
111.08048	7.0
111.11726	1.0
113.09669	1.8
113.86063	1.1
115.05443	6.3
116.06227	1.4
117.07008	42.6
119.06126	1.5
119.08571	60.3
121.06503	6.3
121.10136	30.7
123.04461	1.3
123.08062	7.5
123.11700	6.1
125.09632	4.7
127.03871	5.0
127.07555	1.0
128.06216	7.4
129.05455	4.5
129.06993	23.0
130.07780	3.8
131.08557	43.7
133.06540	2.3
133.10117	47.2
135.08038	6.2
135.11685	16.0
137.09581	3.4
139.11191	1.4
141.06956	6.7
142.07776	5.1
143.08545	24.2
144.09337	2.4
145.04941	3.2
145.06471	2.2
145.10112	36.2
147.08054	3.6
147.11678	30.9
149.09612	11.8
149.13246	14.6
151.11131	3.1
153.07057	1.5
154.07794	2.2
155.08525	9.9
156.09312	3.1
157.10132	16.4
159.11681	28.0
161.09625	2.4
161.13234	13.6
163.11159	7.2
163.14819	2.8
165.12701	1.8
167.08566	4.6
167.14453	1.2
168.09235	1.6
169.10109	12.3
170.10904	1.2
171.11687	18.5
173.04462	1.3
173.09601	2.8
173.13243	13.7
175.11165	3.0
175.14822	5.1
177.12738	4.2
179.08543	1.4
179.14253	3.0
181.10104	5.5
182.10751	1.3
183.11673	12.5
184.07291	1.3
185.09613	1.1
185.13237	9.0
187.11108	1.9
187.14746	6.2
189.11272	1.5
189.12788	3.1
189.16367	2.1
191.14363	1.6
193.10172	2.9
195.11716	4.3
195.13795	5.0
197.13220	7.2
199.13252	1.1
199.14824	7.2
201.12694	1.3
201.16360	2.9
203.14336	1.6
207.11737	2.4
207.13673	1.5
209.13283	5.4
211.14784	6.0
213.16431	5.4
215.17924	2.2
217.15849	2.3
217.19579	1.1
219.17409	1.5
221.13254	2.5
223.14790	3.3
225.16415	3.5
227.12730	1.6
227.18010	2.0
229.14372	1.3
229.19533	1.5
231.21049	1.8
235.14839	1.8
237.16454	1.6
239.18022	3.8
241.19550	8.0
251.17868	1.8
257.18982	6.4
259.20547	18.4
259.23038	1.5
261.22208	1.7
267.15799	2.0
269.17392	11.1
271.17065	1.1
271.20609	1.9
273.18622	1.9
275.20059	11.1
281.17499	3.2
281.29285	1.1
283.20569	1.9
285.22006	1.6
297.22107	2.1
309.22028	1.6
311.23764	1.5
313.21552	1.8
315.23154	4.7
331.22781	1.6
333.24234	15.2
333.27805	1.7
335.25827	2.1
349.23715	6.0
351.26453	2.0
417.32211	1.4
435.32648	2.5
453.33456	1.7
475.30399	1.8
484.98572	1.1
485.33072	1.1
495.34616	1.1
501.35562	1.9
513.35785	2.5
515.38019	1.2
517.40289	2.9
527.37292	11.8
535.40594	1.2
539.37012	1.4
543.37024	1.4
607.43353	2.6
609.36157	1.8
609.45111	21.2
610.45270	1.8
625.44403	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.3
65.03940	6.4
67.05501	92.8
69.03426	13.0
69.07069	49.5
69.35160	1.3
71.01339	1.5
71.04983	7.4
73.02921	1.5
79.05017	1.7
79.05491	78.6
81.03417	14.9
81.07053	100.0
82.07404	2.3
83.04978	14.0
83.08617	19.9
83.91994	1.3
85.02914	9.5
85.06531	4.5
91.05477	83.8
93.07040	78.0
93.07644	2.4
95.04964	17.6
95.07989	3.1
95.08601	55.8
97.02885	6.1
97.06523	19.7
97.10174	9.1
97.12553	1.2
98.21530	3.7
99.04454	1.7
99.08077	5.4
103.05460	4.0
105.04491	1.5
105.07027	78.4
107.04946	10.1
107.08585	47.9
109.02849	2.2
109.06506	9.8
109.10146	27.7
111.04475	1.9
111.08091	9.6
112.76118	1.2
113.09666	1.9
115.05398	3.1
117.07006	31.7
119.04939	1.6
119.08577	52.8
121.06512	6.7
121.10136	31.5
123.08060	8.7
123.11726	5.8
125.09630	7.8
127.03927	4.5
128.06245	3.4
129.05475	4.6
129.07002	16.3
130.07788	1.5
131.08562	41.2
133.06499	4.3
133.10127	46.8
133.20636	1.4
135.08055	8.3
135.11664	20.1
137.09634	4.3
139.11166	1.5
141.06985	6.5
142.07784	3.8
143.08557	17.7
145.04912	2.3
145.06491	4.0
145.10121	28.9
147.08035	3.2
147.11679	31.6
149.09625	19.8
149.13252	12.3
151.11169	3.9
154.07776	2.3
155.08557	9.0
155.26651	1.5
156.09326	2.6
157.10114	15.1
159.08072	2.5
159.11691	26.7
161.09628	3.6
161.13242	14.2
163.11160	11.0
163.14758	1.6
165.07008	1.9
165.09027	1.9
165.12796	2.6
167.08560	3.5
169.10101	10.6
170.10802	1.7
171.11652	15.8
173.04462	2.5
173.09593	1.9
173.11838	3.4
173.13234	14.4
175.11171	2.5
175.14835	4.8
177.12714	6.3
179.08556	1.6
179.14272	3.9
181.10110	5.3
181.12320	1.9
182.10953	1.8
183.11696	9.3
184.07315	3.3
185.13255	11.1
187.11151	3.1
187.14799	6.7
189.11217	4.9
189.12740	2.2
189.16435	1.7
195.11777	4.8
195.13829	6.8
197.13249	8.6
199.14877	8.3
201.12802	2.5
201.16357	3.2
207.11716	2.5
207.13689	1.8
209.13321	3.9
211.14833	5.1
213.16408	4.8
215.14337	1.4
215.17871	3.0
221.13254	2.7
223.14816	3.5
225.16631	1.5
227.12724	7.3
227.17833	1.6
229.14299	3.0
229.19598	4.1
233.15337	2.5
237.16434	1.8
239.17973	3.5
241.19556	7.3
245.19026	1.9
247.20555	2.7
253.14238	1.8
255.15886	6.0
257.18939	8.8
259.16837	1.3
259.17422	1.6
259.20544	21.5
267.16367	1.8
269.17395	20.6
273.18512	2.4
275.20062	28.4
277.21817	1.6
285.22092	2.2
291.19479	2.7
293.21069	2.7
297.22357	1.5
299.23624	1.8
301.21875	2.0
315.23264	3.8
331.22702	3.2
333.24182	19.3
339.23184	2.3
347.22385	1.5
349.23755	20.3
367.24884	2.0
421.31168	2.4
435.32559	4.0
445.30496	1.8
449.28790	3.3
463.30682	6.2
471.35187	1.5
487.34109	2.6
513.35657	19.1
515.38641	2.5
525.35522	1.6
527.37378	15.6
533.39941	1.6
543.36816	8.4
607.43396	11.5
625.44702	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94154	1.6
61.02906	5.2
65.03941	3.6
67.05502	97.8
69.03427	10.8
69.07069	45.3
70.65801	1.6
71.04981	8.0
71.08605	1.9
71.43275	2.3
73.02889	4.5
79.05491	84.8
81.02999	1.6
81.03415	12.4
81.07052	100.0
83.04987	14.6
83.08611	22.2
85.02885	7.4
85.06529	6.7
86.09691	2.8
91.03925	2.1
91.05476	92.1
93.07038	79.5
94.07350	1.9
95.04969	19.5
95.08600	61.6
97.02892	7.7
97.06536	19.5
97.10182	11.2
99.04445	2.2
99.08076	4.9
103.05476	4.2
104.10742	1.8
105.04505	2.2
105.07026	72.4
107.04947	9.9
107.08588	43.0
109.02850	2.1
109.06507	10.8
109.10157	25.0
111.08059	5.2
112.74213	2.0
115.05444	3.7
115.07529	2.2
117.07011	31.2
118.07802	2.5
119.08570	54.4
121.06484	6.5
121.10130	31.7
123.08064	8.6
123.11696	4.9
125.09594	9.7
127.03920	4.1
128.06206	5.8
129.05469	4.1
129.06998	16.9
130.07811	2.8
131.07617	2.3
131.08563	41.4
133.06514	3.1
133.10126	46.8
135.08034	9.1
135.11685	22.0
137.09595	5.9
139.11172	2.3
141.06970	4.7
142.07780	2.9
143.08568	17.7
144.09338	3.1
145.10127	34.1
147.08044	4.7
147.11659	25.8
149.09605	17.3
149.13251	13.7
151.11157	5.7
153.09184	1.9
154.07755	2.8
155.08513	9.2
157.10092	14.2
159.11703	25.0
161.09599	2.9
161.13275	13.8
163.11197	10.0
163.14847	2.3
165.12767	3.0
169.10146	10.1
171.11655	17.6
173.09618	4.2
173.11839	3.8
173.13272	14.3
175.11180	4.1
175.14819	3.0
177.12755	6.1
179.08592	1.9
179.14279	3.5
181.10167	5.5
181.12108	3.0
183.11678	9.5
184.07330	7.1
185.11792	2.3
185.13193	10.0
185.25848	2.2
187.10957	2.1
187.14771	2.8
189.11134	5.0
189.12708	2.5
195.11632	5.5
195.13745	7.2
197.13269	8.7
199.14824	5.8
201.12846	2.3
203.14281	2.6
207.11711	3.4
209.13266	4.5
209.15192	1.9
211.14735	4.4
213.12842	2.0
213.16443	4.1
215.17892	2.8
221.13208	2.9
223.13078	2.2
223.14943	3.3
227.12801	6.9
227.17908	2.3
229.14386	4.2
229.19467	2.6
237.16269	2.0
239.17986	5.3
241.19456	6.4
253.14305	2.9
255.15820	5.1
257.18973	9.9
259.20596	16.4
269.17422	16.3
275.20050	39.3
277.21429	1.9
291.19724	4.3
293.21100	5.8
297.22086	3.0
302.32599	2.0
313.21649	2.6
315.23364	2.8
333.24197	16.3
349.23672	22.8
365.23096	2.9
367.24747	5.3
421.30975	2.4
435.32303	2.5
449.29037	3.5
463.30484	4.4
495.33972	2.2
513.35822	16.3
515.37665	3.3
527.37274	10.5
543.36566	5.9
545.38177	3.6
561.37488	2.5
607.43365	12.2
623.43518	3.7
625.44440	11.7
626.44476	2.2
811.41638	3.2
857.45746	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15096	1.5
61.02916	3.3
65.03949	7.1
67.05502	87.5
69.03429	12.7
69.07065	37.4
70.08644	6.8
71.01348	2.7
71.04985	7.7
73.02903	4.4
79.00941	1.5
79.05488	78.0
79.94386	1.5
81.03413	15.7
81.07052	100.0
82.07392	1.9
83.04976	18.9
83.08619	18.6
85.02892	6.8
85.06525	4.0
90.35495	1.3
91.05476	86.7
92.05777	2.0
93.07040	80.8
95.04967	18.8
95.08604	54.6
97.02893	8.6
97.06525	17.5
97.10156	9.6
99.04478	1.5
99.08096	4.1
103.05450	3.9
104.99667	1.3
105.04512	2.4
105.07025	78.1
107.04961	10.1
107.08590	48.1
108.08923	1.5
109.06513	8.4
109.10155	21.9
111.04418	2.1
111.08082	7.8
113.09661	3.0
115.05476	3.5
116.06194	2.0
117.07016	28.2
119.08573	55.1
121.06522	6.5
121.10135	30.5
123.08028	8.3
123.11699	9.2
125.09594	4.6
127.03927	4.9
128.06209	6.4
129.05476	3.0
129.06981	16.8
130.07780	1.9
131.08563	35.9
133.06485	2.7
133.10124	49.4
135.08060	6.6
135.11685	25.6
137.09579	5.8
141.06950	3.4
142.07768	2.1
143.08545	14.7
145.09067	2.5
145.10118	26.5
147.08044	2.6
147.11687	23.2
149.09624	10.2
149.13246	14.0
151.11150	6.1
155.08559	6.8
157.10149	17.3
159.08093	2.3
159.11696	28.2
160.04890	1.4
161.09593	3.5
161.13263	12.7
163.11179	10.4
165.05553	1.3
165.12730	3.8
167.08643	2.7
169.10165	9.2
171.11697	14.9
173.04520	2.2
173.09534	2.7
173.11763	2.3
173.13206	13.0
175.11195	3.1
175.14857	3.9
177.12758	7.4
179.14276	1.8
181.10046	3.6
181.12224	2.1
183.11676	10.5
184.07332	1.6
185.13271	9.0
187.14775	1.7
189.12704	2.2
193.12225	2.8
195.11697	4.1
195.13829	7.1
197.13211	4.0
199.14771	4.6
201.12698	2.0
201.16484	2.4
203.14273	2.4
205.10175	2.0
207.13866	1.4
209.13295	2.3
211.14824	2.3
213.14745	2.4
213.16568	2.1
219.11729	1.4
221.13136	1.8
225.16441	2.4
227.12708	2.4
229.14133	1.7
229.19420	1.8
239.17905	3.2
241.19495	8.5
253.14340	5.1
255.15912	11.1
257.18930	5.8
259.20541	19.1
267.15936	2.3
269.17413	22.2
273.18451	2.1
275.20050	27.3
285.16980	2.0
291.19254	2.6
293.21136	5.6
315.23044	3.4
333.24271	15.2
349.23795	12.5
367.24738	4.2
449.28891	4.1
463.30405	4.7
471.34015	1.8
513.35626	4.6
515.38989	1.5
527.37219	13.2
528.37811	1.6
543.36664	5.2
546.46484	1.5
546.55829	1.6
561.37445	2.6
607.43188	4.1
625.44501	3.2
641.43341	2.2
659.44604	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	854.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	7.1
67.05507	72.7
69.03420	12.1
69.07057	34.4
70.24207	22.2
71.04979	19.1
79.05486	75.3
81.03408	14.3
81.06596	7.9
81.07050	100.0
83.04958	12.3
83.08614	18.4
85.02880	8.4
91.05473	82.0
93.07046	72.8
95.04965	15.5
95.08606	52.8
97.02883	10.9
97.06538	11.7
97.10126	8.3
105.07029	85.6
107.04997	6.3
107.08582	40.0
109.06516	7.8
109.10146	21.3
111.08086	8.3
114.99201	4.3
115.05473	6.9
117.07013	34.6
119.08570	63.1
121.06490	7.9
121.10119	27.4
123.08009	7.4
125.09572	7.1
128.06209	7.1
129.05479	6.9
129.06996	11.4
131.08574	39.1
133.10109	39.1
135.11670	18.3
141.06949	6.5
142.07750	5.3
143.08560	23.5
145.10123	28.0
147.04422	4.8
147.11714	26.2
149.09621	13.7
149.13232	11.9
151.11176	5.0
155.08537	8.3
157.10135	21.8
159.11687	21.5
161.13217	15.9
163.11162	7.6
165.07109	5.7
167.08612	5.9
169.10133	13.0
171.11642	24.6
173.13234	14.3
179.14328	8.4
179.99208	4.8
181.10165	8.7
183.11707	15.7
183.54684	5.2
185.13214	8.5
187.14886	5.8
195.11671	9.6
197.13242	8.9
206.61742	5.0
211.14838	6.1
232.99716	4.6
237.16379	4.9
241.19606	5.8
253.14439	5.9
259.20721	11.5
275.20035	20.5
315.23154	5.3
333.24332	38.4
349.23636	19.3
435.32495	6.6
446.11584	4.9
513.35504	20.5
527.37341	44.1
607.43610	31.7
625.44525	23.3
639.45471	7.0
649.19849	4.9
849.47455	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	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.1
65.03945	3.1
65.04213	0.6
67.05505	51.9
68.05810	1.0
69.03426	11.0
69.07067	34.8
69.16045	1.2
69.16380	7.5
70.07371	0.6
71.05015	4.8
73.02902	0.9
77.03929	1.1
79.05490	41.7
81.03416	10.3
81.07054	52.8
82.07375	0.7
83.04978	8.5
83.08611	13.8
85.02893	2.1
85.06533	2.5
86.09702	1.1
91.05478	34.7
93.07040	39.7
94.07349	0.8
95.01359	1.3
95.04967	11.8
95.08607	21.4
97.02887	9.0
97.06525	10.4
97.09551	1.0
97.10167	13.7
98.20650	0.7
99.04442	1.8
99.08093	2.1
103.05463	1.3
105.03400	0.9
105.07027	27.3
106.07359	0.8
107.04952	10.9
107.08590	28.4
108.94053	0.7
109.02846	1.0
109.06525	5.7
109.10153	15.0
111.04461	1.4
111.08083	5.0
113.05988	0.7
113.09605	0.9
115.05413	2.3
117.07011	12.9
119.04917	1.7
119.08575	23.1
120.05741	0.8
121.06499	6.8
121.10134	13.0
121.10950	1.1
123.04385	0.7
123.08064	4.9
123.11700	3.1
124.99990	1.1
125.05949	0.7
125.09631	10.3
127.03877	1.6
128.06235	1.7
129.07018	5.9
130.07799	1.4
131.04910	0.7
131.08559	17.4
132.05612	0.6
133.06512	4.2
133.10132	18.4
134.07243	1.1
134.10410	1.0
135.08060	6.2
135.11678	10.0
137.06038	0.9
137.09627	3.2
139.07530	0.7
139.11203	1.1
141.06978	1.2
142.07774	1.1
143.08578	6.1
145.06483	2.2
145.10130	11.6
147.08022	5.7
147.11665	7.5
149.09616	8.0
149.13254	9.0
151.11147	4.1
153.09137	1.5
155.08559	1.4
157.10124	5.8
159.08038	1.9
159.10463	1.0
159.11693	11.0
161.09656	4.1
161.13274	2.7
162.10434	0.7
163.11180	5.8
165.09094	2.6
165.12738	0.8
167.08548	1.0
169.10091	2.2
169.12282	1.2
171.11664	4.3
173.09654	1.6
173.13219	2.6
175.11209	2.9
175.14896	0.7
177.12711	3.8
179.10732	0.6
179.14262	1.1
181.12198	1.1
183.11639	2.9
184.07327	4.4
185.13234	1.6
187.11133	1.2
187.14787	1.3
189.11217	4.9
189.12738	1.6
191.10602	0.7
191.14442	0.7
193.12230	1.7
195.11862	0.9
195.13722	5.5
197.13213	1.3
199.14810	0.6
205.12265	1.7
207.13808	0.6
211.13206	0.9
213.14778	1.4
221.15323	1.1
223.13272	16.4
226.09288	0.6
227.12759	7.9
229.19438	1.3
233.15384	1.1
235.16881	0.9
239.17902	1.7
245.13687	0.8
245.19070	1.6
247.20615	1.7
249.14862	4.0
251.16478	0.7
253.14339	7.7
255.15791	7.0
257.18976	4.2
261.14944	0.6
263.20126	1.4
267.15906	2.0
269.17480	28.2
273.18478	15.4
274.18866	0.7
275.20065	15.5
276.20508	0.8
289.18082	0.6
291.19534	100.0
292.19788	3.2
293.21091	1.2
297.17538	0.8
309.20612	1.4
331.22583	1.0
331.95700	0.6
347.22113	5.0
349.23730	14.8
350.23801	0.9
365.23227	39.8
366.23563	2.4
367.24771	2.1
383.50626	0.7
395.20392	0.8
399.19754	0.7
413.21906	0.8
447.27374	1.2
449.29526	0.7
461.28860	1.5
479.30002	1.0
519.33014	1.0
541.35004	2.7
543.35974	0.8
545.26923	1.0
545.34808	14.8
546.34741	1.4
557.34515	1.5
559.36292	63.5
560.36981	3.9
611.42786	0.8
639.42548	15.6
640.42578	1.3
657.43396	2.8
703.40253	1.2
709.66315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.0
65.03946	6.8
67.05505	87.5
69.03435	8.1
69.07067	34.8
71.04998	9.2
73.02919	1.4
74.43281	1.5
79.05022	3.0
79.05492	70.4
81.03413	16.7
81.07054	92.6
83.04976	14.0
83.08629	10.7
83.38394	1.2
85.02896	5.2
85.06549	7.0
91.05479	100.0
92.05789	2.4
93.07045	73.5
95.04976	20.8
95.08604	41.9
97.02869	4.1
97.06528	13.1
97.10172	4.1
99.04444	2.9
99.08098	4.2
103.05500	4.1
105.04509	2.3
105.07028	88.4
107.04955	12.6
107.08591	52.6
109.06520	12.9
109.10155	57.6
110.10455	1.7
111.04415	2.8
111.08069	5.3
113.06015	3.6
115.05446	2.5
117.07024	28.1
119.08578	50.9
121.06545	10.2
121.10144	20.2
123.04420	2.2
123.08082	7.0
123.11700	11.6
125.09593	2.7
127.03905	2.2
127.07554	3.8
128.06200	4.1
129.05524	3.2
129.07013	14.0
131.08569	29.2
133.06464	6.4
133.10129	91.3
134.10477	1.9
135.08040	10.1
135.11690	15.8
137.09642	5.1
137.16153	1.4
141.04083	1.3
141.06992	3.4
142.07788	2.7
143.08546	15.0
145.06490	2.3
145.10114	23.8
147.08025	5.1
147.11685	25.3
149.09627	11.2
149.13234	8.2
151.11168	38.7
153.07010	1.5
155.08557	4.9
157.10143	12.0
159.08081	2.0
159.11722	22.7
161.09575	9.7
161.13268	13.5
163.07591	2.5
163.11159	7.0
165.09192	2.0
165.12718	1.6
169.10136	5.9
169.12248	7.1
171.11694	10.2
173.09630	2.2
173.13234	8.9
175.11168	3.3
175.14845	5.2
177.09076	2.3
177.12749	6.0
179.01352	1.3
179.10687	3.4
179.14331	2.9
181.10135	1.6
183.11754	4.8
184.07320	2.2
185.13243	8.1
187.11177	2.5
187.14807	3.1
189.12743	2.8
191.10655	1.4
195.11787	1.6
195.13770	2.9
196.36526	1.5
197.13304	2.9
199.14793	4.2
205.12016	1.3
207.11771	1.7
207.13908	1.7
209.13283	1.8
211.14859	2.2
213.16504	1.9
215.14560	1.6
221.89253	1.7
227.18048	1.8
229.19514	1.8
241.19524	7.8
245.18976	1.5
253.14348	88.1
254.14729	3.7
255.17538	1.6
257.19016	5.8
259.20572	22.3
263.20166	3.0
269.17551	4.9
271.15427	2.8
273.18515	18.7
275.20047	11.9
287.19763	1.7
291.19537	12.5
294.61179	1.5
309.46951	1.4
315.23166	4.7
333.24271	21.3
347.22195	3.7
349.23666	5.5
365.23187	20.4
409.31210	2.1
437.30420	2.8
447.27280	4.4
455.31247	3.0
511.34167	8.8
513.35889	2.9
529.35291	10.0
559.36237	11.8
566.34900	1.5
602.27252	1.6
605.41925	3.5
623.42981	17.5
641.44202	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	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	0.9
65.03918	2.1
67.05502	48.4
69.03425	10.7
69.07063	34.9
69.33942	2.8
69.34361	3.1
71.01344	0.7
71.04417	0.7
71.05010	3.2
73.02898	0.8
77.03903	0.6
79.05489	43.3
81.03414	9.3
81.07050	47.5
81.56498	0.7
83.04972	8.5
83.08609	13.3
85.02895	2.9
85.06515	2.5
87.04512	0.7
91.04903	1.5
91.05476	34.6
93.07038	35.4
95.01325	1.1
95.04959	11.9
95.08595	20.6
97.02880	10.2
97.06528	12.4
97.10161	14.2
99.04459	1.4
99.08061	1.3
103.05426	1.6
105.06312	1.1
105.07024	26.1
107.04951	10.2
107.08587	27.3
107.09315	1.6
109.02864	2.1
109.06506	6.4
109.10137	12.9
111.04424	1.8
111.08082	4.7
113.05941	0.7
113.09661	1.0
115.05425	3.0
117.07012	13.9
119.04923	1.6
119.08569	20.0
120.05677	0.9
121.06497	5.3
121.10139	11.8
122.36039	0.6
123.04377	0.9
123.08062	4.7
123.11675	3.0
125.09623	11.5
127.03883	1.5
128.06209	1.6
129.06992	5.3
130.07751	1.6
131.04919	0.8
131.08554	14.9
133.06459	2.9
133.10118	16.6
134.07326	0.7
135.08073	5.3
135.11661	8.9
137.09604	3.4
137.13234	0.9
141.06982	1.1
142.07744	1.1
143.08533	4.7
145.06465	1.7
145.10109	12.9
147.08023	6.6
147.11668	8.5
147.40089	0.7
149.09601	10.1
149.13254	6.2
151.11140	3.9
151.51787	0.6
153.09094	0.8
153.12860	0.8
155.08533	2.0
157.10103	4.9
159.08090	1.5
159.11665	9.3
161.08398	0.7
161.09578	3.8
161.13260	3.4
162.10406	0.9
163.11191	7.0
163.14806	0.8
165.09108	1.2
165.12747	0.8
169.10101	2.7
169.12199	1.0
171.10255	1.3
171.11664	4.2
173.04408	1.4
173.09628	0.9
173.11810	1.4
173.13229	3.5
175.11162	3.2
177.12721	5.2
179.14331	1.2
181.12183	1.5
183.11714	1.2
184.07312	1.2
185.13240	1.7
187.11086	1.5
187.14836	1.3
189.11197	6.4
189.12639	0.8
193.12292	1.0
195.12079	0.8
195.13786	4.1
197.13228	2.2
201.12770	0.9
205.12172	1.9
211.13177	1.0
211.14944	0.9
215.14281	0.9
223.13261	16.3
223.15440	0.8
227.12726	11.9
229.19453	1.7
231.17415	0.8
239.17860	1.9
245.13576	1.0
245.18912	1.6
246.58859	0.7
247.20525	1.6
249.14792	3.2
253.14352	4.8
255.15741	5.6
257.18964	6.8
263.20041	1.0
267.15820	2.0
269.17453	14.3
273.18460	15.2
275.20041	21.3
289.17838	0.9
291.19516	100.0
292.19852	2.0
293.21030	1.2
309.20532	1.3
321.24142	1.0
331.22797	1.6
347.22076	2.2
349.23706	19.6
350.24203	1.0
365.23215	39.8
366.23657	1.1
367.24738	2.1
391.82275	0.9
397.27017	0.7
413.21994	1.2
423.23477	1.1
439.26401	0.9
461.29062	1.3
479.30130	1.0
485.33054	0.7
519.33112	1.1
530.39233	0.9
533.00421	0.7
535.32501	1.8
541.35022	2.3
543.36853	1.0
545.34784	15.6
559.36279	46.3
560.36511	2.7
611.42694	1.2
621.41022	2.0
639.42480	23.0
640.42212	2.1
657.43610	3.4
703.39569	0.9
783.18311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.1
65.03919	2.2
67.05503	45.7
69.03427	10.0
69.07066	32.1
69.59782	4.3
71.04993	3.4
71.08626	0.9
73.06561	0.6
77.03916	0.9
79.05490	44.0
81.03419	8.2
81.03896	1.0
81.07052	45.2
83.04982	7.7
83.08614	13.9
85.02902	3.1
85.06526	2.4
86.09667	1.0
91.05477	44.0
93.07040	42.1
94.04158	0.8
95.01342	1.0
95.04382	0.9
95.04963	13.7
95.08604	25.7
97.02306	0.8
97.02885	10.9
97.06525	7.5
97.10165	13.6
99.04425	0.9
99.08073	1.9
103.03928	0.8
103.05460	2.0
105.04478	0.8
105.07024	37.2
107.04295	0.9
107.04948	8.6
107.08588	25.8
108.08872	0.6
109.02855	1.4
109.06509	4.4
109.10153	12.4
111.04427	1.3
111.08079	3.7
113.09592	0.7
115.05437	3.2
116.06261	1.1
116.43555	0.6
117.07012	16.7
119.04985	1.2
119.08578	28.8
120.05631	0.6
121.06508	3.4
121.10133	13.7
123.08056	5.4
123.11703	2.0
125.09624	12.0
127.03907	1.8
128.06209	1.8
129.05452	1.8
129.07007	10.0
130.07759	2.1
131.08557	19.5
133.06508	3.0
133.07376	0.6
133.10130	21.1
134.07198	1.4
135.08043	4.8
135.11685	7.3
137.06009	0.6
137.09593	3.1
141.06934	1.9
142.07803	1.2
143.08556	8.5
143.09589	1.0
143.10600	0.9
145.06500	1.2
145.10114	15.9
147.08060	4.6
147.11681	15.9
149.09622	5.8
149.13245	7.9
151.11121	1.3
153.09096	1.2
153.12769	0.6
155.08522	2.5
157.10121	7.8
159.08035	1.2
159.11682	13.4
161.09636	3.5
161.13254	9.8
162.10329	0.7
163.11174	5.4
163.14822	1.0
165.06905	0.7
165.09087	1.9
165.12610	0.8
167.08603	0.8
169.10129	3.5
169.12233	0.7
171.10291	1.0
171.11693	7.8
173.11800	1.0
173.13208	5.1
175.11171	3.0
175.14815	3.2
177.12729	3.4
179.10692	0.8
179.14275	2.1
181.10078	1.4
183.11610	1.9
184.07396	2.2
185.13219	5.3
187.11113	1.1
187.14850	2.2
189.11209	6.8
189.12738	1.4
193.10149	0.7
193.12236	1.1
195.11629	1.6
195.13766	3.7
197.13237	2.0
199.11203	1.1
199.14821	2.3
201.12712	0.9
201.16420	0.9
205.12241	2.1
205.15878	0.7
211.14804	2.0
213.16388	1.3
217.15891	1.4
223.13255	20.1
225.16508	0.8
227.12762	5.5
227.17995	1.2
229.19624	1.1
231.17378	1.0
231.21123	1.7
233.15387	1.1
237.16302	0.8
239.17935	1.4
241.19524	7.4
243.21022	0.7
245.19040	1.4
247.20732	0.9
249.14677	2.9
257.18930	3.6
259.20581	18.7
261.14859	1.0
261.18628	0.9
263.20160	0.7
269.17392	7.8
273.18472	11.7
274.18939	0.9
275.20102	9.0
276.20245	0.8
289.18347	0.8
291.19528	100.0
292.19849	3.7
293.17688	0.7
299.23883	0.9
315.23026	3.2
331.22513	1.2
333.24243	17.8
334.24466	0.7
347.22296	1.7
349.23712	5.6
351.53564	0.6
365.23203	23.7
366.23611	1.6
379.29910	1.1
513.36633	0.7
525.35828	2.3
531.37866	0.9
543.37030	3.6
559.36310	14.8
560.36353	1.0
571.36011	0.7
605.42023	2.0
623.43024	16.7
624.43396	1.1
639.42145	2.2
641.43793	1.2
643.83118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70699	1.1
61.02928	7.0
62.79308	1.1
62.98885	1.1
65.03912	1.4
67.05502	32.6
69.03397	3.5
69.07069	14.5
70.12167	1.4
70.12503	5.2
71.01328	2.0
71.04965	2.8
71.08303	1.3
71.08630	16.0
73.02898	2.5
74.66416	1.1
78.45664	1.4
79.05490	24.9
81.03404	4.6
81.07054	22.0
83.04966	5.0
83.08611	9.0
85.02904	10.0
85.06538	2.9
85.10172	11.3
91.03930	4.8
91.05479	11.5
93.07043	34.4
94.07387	1.1
95.04961	3.8
95.08604	18.5
97.02895	3.8
97.06524	7.5
97.10165	9.8
98.20860	2.3
99.04469	1.2
99.08080	1.5
105.07024	3.9
107.04967	1.8
107.08591	25.4
109.06509	1.3
109.10140	9.8
111.08107	1.6
117.06999	4.1
119.08556	5.1
121.10123	5.6
123.11697	2.2
125.09663	1.9
127.03922	2.3
133.10088	3.9
135.11685	38.0
145.05000	2.4
145.10139	7.2
162.01131	1.1
163.06017	2.0
163.11145	4.2
181.12259	8.6
231.37277	1.2
255.15906	100.0
256.16150	1.4
313.27350	46.3
350.01114	1.5
410.19836	1.3
493.38882	81.0
494.38879	2.4
609.44714	2.7
738.26904	1.4
778.80609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	8.4
63.90336	0.6
65.03939	1.6
67.05502	22.0
69.03426	5.1
69.06729	0.7
69.07066	7.5
71.04988	5.3
73.02925	3.0
79.05011	0.7
79.05487	23.6
81.03413	76.1
81.07049	29.8
81.07536	1.0
83.04973	16.8
83.08611	25.6
85.02898	36.0
85.06544	2.4
87.04422	0.8
91.03955	6.0
91.05476	33.3
92.05807	0.4
93.07037	17.1
94.07372	0.5
95.04961	30.0
95.08598	10.0
97.02885	8.2
97.06522	3.8
97.10165	4.7
99.04423	1.2
99.08073	0.6
101.05963	0.5
105.04520	0.5
105.07023	26.4
107.04945	7.7
107.08583	8.4
109.02892	0.9
109.06510	6.1
109.10142	2.2
111.04443	1.9
111.08076	11.3
113.05995	3.5
115.05453	2.2
117.07005	2.1
119.04980	0.7
119.08572	23.1
121.06504	2.5
121.10127	9.4
123.08052	2.8
123.11695	1.7
125.05952	0.6
125.09627	2.6
127.03894	1.9
127.07571	0.7
129.07001	13.5
131.08560	13.6
133.06493	3.5
133.10120	12.1
135.08049	0.8
137.09604	1.9
142.07780	3.0
145.04959	2.1
145.06476	0.7
145.10118	2.0
147.08054	4.2
147.11673	17.0
149.09595	7.7
151.11185	0.5
157.10118	18.1
163.06050	2.2
163.11151	0.9
165.12756	3.3
175.11177	20.6
176.11502	0.7
193.12234	56.9
194.12547	1.2
199.11275	0.5
211.13274	88.2
212.13573	1.3
229.14299	0.8
249.14865	1.3
267.15897	46.5
273.14941	0.9
277.01669	0.5
285.16943	84.1
286.17236	1.9
349.21582	0.8
367.22650	3.4
385.23639	4.9
403.24835	1.3
414.16751	0.6
429.21307	0.8
433.25729	2.0
441.26349	1.6
459.27377	33.7
460.27542	1.5
477.28445	33.1
478.28558	1.4
481.71439	0.6
495.29504	100.0
496.29727	3.5
538.71356	0.6
621.31940	0.6
639.33545	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02658	0.5
61.02924	7.1
67.05505	11.5
69.03430	3.6
69.07067	4.1
71.01327	1.0
71.04987	3.7
73.02901	2.3
79.05486	15.0
81.03414	35.4
81.07053	18.8
83.01338	3.7
83.04971	11.7
83.08155	0.9
83.08612	12.8
84.39188	0.6
85.02899	18.1
85.06516	1.1
91.03961	4.6
91.04903	0.8
91.05478	16.0
93.07036	18.1
95.04956	13.8
95.08606	6.0
97.01111	0.5
97.02887	6.3
97.06531	4.4
97.10178	2.6
99.04430	1.8
99.08072	0.8
105.04513	0.6
105.07021	12.9
107.04945	7.2
107.08582	8.4
109.02888	1.3
109.06514	5.0
109.10151	2.6
111.04437	1.7
111.08084	5.6
113.05982	1.0
117.07005	3.9
119.08574	11.8
121.06499	2.5
121.10125	7.0
121.48428	0.5
123.08068	5.5
123.11672	1.0
125.05979	1.0
125.09592	1.2
127.03897	1.9
129.07007	5.9
131.04971	0.7
131.08551	6.5
133.06503	1.6
133.10115	5.8
135.08029	1.6
135.11667	4.5
137.09604	1.6
139.03868	0.6
142.07756	1.5
143.08482	1.2
145.04938	1.8
145.06488	1.1
145.10109	7.4
146.10359	0.6
147.08031	2.7
147.11673	6.3
149.09622	3.2
153.12744	1.1
155.08458	0.8
157.10118	6.4
160.07625	0.8
163.05998	2.1
163.11163	10.8
163.12526	0.7
165.12766	2.0
167.07036	1.0
173.09619	1.3
175.11159	7.2
181.12312	1.1
191.06989	0.6
191.10606	1.1
193.12225	19.9
201.78282	0.5
209.11697	2.3
211.13274	32.0
212.13623	0.7
227.12799	2.3
249.14859	0.6
267.15909	7.8
283.15375	35.9
285.16953	27.0
383.22040	2.4
392.22659	0.5
401.23236	1.0
457.25693	3.9
475.26932	16.0
476.27209	0.8
492.79660	0.5
493.27927	100.0
494.28503	4.4
637.31860	0.9
780.20337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.3
65.03923	3.0
67.05501	40.3
69.00101	0.7
69.03430	4.8
69.07069	9.5
69.43738	5.7
69.44156	1.5
71.04993	4.5
73.02908	2.2
73.06532	1.7
79.05489	67.8
79.91794	0.9
81.03413	47.8
81.07052	42.4
81.07477	0.8
81.64191	0.7
82.99767	0.8
83.04974	18.5
83.08614	19.5
85.02901	18.0
85.06518	3.4
87.04436	0.9
91.03953	3.5
91.05476	60.0
93.07037	61.2
95.04964	34.6
95.08597	22.5
97.02872	4.8
97.06516	5.5
97.10150	4.2
99.04454	1.1
99.08089	1.6
101.32205	0.8
101.58370	0.7
101.96059	0.7
103.05462	1.2
105.04536	1.8
105.07024	41.8
107.04955	8.6
107.08590	17.1
109.06532	7.6
109.10142	5.7
111.08073	6.7
113.05997	1.2
115.05446	2.3
117.07009	7.2
119.08578	32.0
119.19373	0.7
121.06501	3.0
121.10141	9.9
123.08058	6.1
123.11727	1.4
125.09653	1.0
127.03893	1.4
127.07579	1.1
128.06206	2.1
129.06989	19.0
131.08572	8.4
133.06476	2.5
133.10124	16.1
135.08060	1.1
135.11656	2.1
137.09555	1.6
142.07764	2.2
143.08574	7.6
145.04967	0.9
145.10112	8.4
147.08009	3.5
147.11676	37.4
149.09590	4.6
156.24382	0.9
157.10135	11.3
159.11682	1.3
161.09624	3.6
161.13254	8.9
163.06039	1.4
163.11084	0.9
165.12769	2.6
171.11678	20.4
175.11177	9.4
175.25787	0.8
177.75551	0.8
183.45761	0.8
184.07402	1.4
189.12706	8.0
189.14287	1.1
193.12250	24.9
207.13794	25.2
211.13278	25.0
225.14882	1.7
249.14679	1.3
263.16574	0.9
267.15900	31.8
281.17462	99.2
282.17795	2.8
285.16937	27.1
304.59174	0.8
412.44547	0.8
473.28970	100.0
474.29257	5.6
491.30032	97.4
492.30106	4.5
635.33923	1.4
697.14581	1.0
817.93121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56529	0.5
61.02922	4.2
64.54832	0.6
65.03927	1.8
65.61243	0.7
67.05501	34.1
69.03425	4.1
69.07059	8.5
71.04977	2.4
73.02901	1.3
73.06535	1.2
77.03923	1.0
79.05488	45.5
81.03413	46.2
81.07052	34.6
82.29126	0.7
83.04977	16.1
83.08611	16.7
85.02901	14.9
85.06525	1.8
91.03933	2.3
91.05476	46.8
92.05771	0.7
93.07037	42.9
95.04961	25.9
95.08598	15.6
97.02879	5.7
97.06525	4.1
97.10151	4.0
99.04464	0.8
99.08073	0.9
105.04503	1.7
105.07024	32.9
107.04953	7.5
107.08582	10.6
109.06519	5.3
109.10144	4.0
111.04425	1.8
111.08069	6.1
113.06008	1.8
115.05444	1.3
117.06989	4.8
119.04922	1.1
119.08572	24.6
121.06499	3.4
121.10133	7.3
123.08060	4.1
123.11703	1.2
125.09641	1.2
127.03894	1.5
127.07528	1.4
128.06226	1.6
129.07002	15.8
131.08546	8.2
133.06499	1.9
133.10124	13.2
135.08089	0.9
135.11696	1.5
137.05978	0.9
137.09618	2.4
142.07741	2.1
143.08586	5.2
145.04967	0.9
145.06433	0.9
145.10115	7.1
147.08092	3.1
147.11673	24.9
149.09572	3.7
157.10112	8.6
161.09612	2.3
161.13234	5.5
163.05977	1.2
163.11131	1.5
165.12759	2.2
165.34140	0.6
168.87642	0.7
171.11685	14.1
175.11208	7.6
189.12674	3.7
193.12236	24.3
207.13805	12.7
211.13272	26.3
212.13766	0.7
225.15024	0.9
267.13019	1.5
267.15903	30.4
268.16037	0.9
281.17459	42.2
282.17889	1.3
283.70749	0.7
285.16943	24.2
306.88419	0.7
351.02499	0.7
403.17728	0.7
447.27271	1.1
473.28958	100.0
474.29343	4.2
491.30017	66.1
492.30453	3.0
635.33990	2.7
653.32141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01283	0.5
59.93988	0.5
59.99094	0.5
65.03619	0.5
65.03934	6.7
65.47990	0.4
67.05500	2.5
68.05013	0.7
69.03403	0.6
69.07047	0.6
70.06591	24.7
71.08630	5.0
71.51980	0.6
72.08142	0.8
79.05473	1.3
81.03394	1.4
81.07030	2.0
83.08611	0.6
83.45316	0.5
84.08139	0.6
85.10165	0.7
88.07628	30.7
91.05482	1.3
93.07020	1.5
95.04975	1.2
95.08613	0.9
97.02893	0.7
102.09175	21.6
104.02682	0.4
105.03392	0.7
105.07021	0.9
109.10128	0.8
111.97495	0.6
119.08542	0.7
121.02845	2.0
121.10099	0.6
123.08012	0.6
131.04919	1.0
131.08577	0.7
133.02805	0.7
139.03914	3.2
147.04414	1.5
149.02339	100.0
149.03423	6.9
149.13045	0.6
150.02687	1.1
152.14360	0.5
161.09682	0.5
175.03908	2.5
177.05464	1.7
184.07350	0.5
191.07039	1.6
193.04955	50.7
194.05272	0.7
199.58881	0.5
211.96991	0.5
212.23773	1.8
219.06485	2.3
237.07555	12.8
256.26340	73.5
257.26715	1.1
269.04486	0.8
297.04025	1.0
300.29208	1.1
313.07169	1.2
341.06351	4.4
343.07996	1.0
359.07736	2.2
385.09082	7.2
392.68512	0.5
411.10764	0.9
429.11783	2.6
533.11328	1.1
577.13257	8.8
595.68353	0.5
621.16003	14.8
637.08337	0.5
640.34503	0.8
789.02533	0.5
832.38666	2.1
850.39990	91.7
851.40747	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	846.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29800	0.3
61.02917	1.9
65.03928	1.1
67.05501	21.5
67.78204	0.4
68.53571	0.4
69.03433	0.7
69.07066	4.7
71.04983	1.3
71.14532	0.9
73.02905	0.7
73.06539	1.0
77.03915	0.5
79.05488	35.0
81.03419	4.5
81.07049	19.9
82.34789	0.4
83.04977	7.0
83.08627	3.5
85.02900	1.9
85.06541	1.5
87.04454	0.4
91.03953	0.8
91.05474	28.7
92.05795	0.4
93.07036	36.8
94.07380	0.4
95.04960	9.7
95.08600	12.5
97.02881	1.4
97.06523	2.1
97.10174	1.7
103.05443	0.5
105.04535	0.9
105.07021	20.3
106.07307	0.4
107.04951	3.1
107.08584	7.9
109.06509	2.9
109.10149	2.2
111.08082	0.6
115.05439	0.6
117.07006	4.3
119.08572	13.0
121.06499	1.6
121.10124	2.2
122.49451	0.4
123.08059	3.3
124.49153	0.4
125.09531	0.4
127.07554	0.8
128.06198	1.0
128.19858	0.4
129.06995	8.8
131.08542	1.7
133.06470	0.9
133.10120	5.4
135.08046	0.6
135.11674	1.1
141.06956	0.5
143.08548	5.1
145.10109	6.3
147.08028	1.6
147.11678	22.2
148.12039	0.6
156.09280	0.6
159.11728	0.4
161.09584	2.7
161.13237	6.1
163.06032	0.4
163.11198	1.1
169.10057	0.4
171.11674	15.2
173.13158	0.3
179.14351	0.8
184.07384	1.0
187.11252	0.4
189.12729	6.0
189.71100	0.3
192.16620	0.4
207.13789	15.6
208.14119	0.4
225.14894	1.4
263.16394	1.0
281.17456	37.2
282.17923	0.9
469.29803	2.4
487.30515	100.0
488.30771	3.0
501.31696	0.5
539.33441	0.5
567.33020	0.5
609.51984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02856	5.2
64.43017	0.7
67.05431	5.8
69.03351	2.4
69.07008	2.5
69.47459	1.9
69.47865	3.5
71.04945	0.7
73.02837	4.0
79.05489	6.5
81.03338	2.6
81.07054	6.3
83.04904	1.3
83.08545	0.9
85.02821	5.1
86.09629	1.1
91.03868	2.9
91.05485	6.6
93.07044	8.3
93.61300	0.7
95.04913	1.5
95.08603	4.9
96.73913	0.6
97.02877	3.9
97.06466	1.4
98.21522	1.0
99.04400	1.5
101.02305	2.5
105.07030	5.3
106.49188	0.7
107.08525	2.8
109.02819	0.9
109.06435	0.8
109.10078	1.2
111.36941	0.6
112.66955	0.8
117.06918	1.5
119.08539	4.1
121.10095	1.8
124.48485	0.7
127.03861	1.6
127.62971	0.8
129.05434	1.1
129.06926	1.8
131.08490	1.1
133.10146	4.5
135.11620	1.6
143.08438	1.1
145.10089	1.0
147.11632	2.6
155.16055	0.7
155.17320	0.7
159.11470	1.3
161.13152	1.3
171.11623	1.3
184.07292	5.1
185.04204	1.4
208.57297	0.7
224.45114	0.8
243.08348	4.6
247.13054	2.0
301.08856	2.0
303.15518	1.1
315.10556	0.9
317.20596	0.8
327.10507	0.8
370.53995	0.8
371.16626	1.2
465.20969	15.1
466.21005	1.2
491.27814	0.8
495.21899	1.6
508.86362	0.8
533.27075	1.7
535.28711	14.1
537.22943	2.4
551.27411	2.4
593.28961	1.4
597.37762	1.8
607.30627	1.0
689.34857	4.3
707.35938	1.5
729.41431	2.8
747.41882	3.5
759.42834	100.0
760.43433	7.8
805.78271	0.8
827.49231	12.3
828.49603	1.3
845.49347	31.4
846.49371	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	844.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07393	0.3
60.08160	5.5
62.93492	0.1
67.05487	0.3
69.07085	0.1
69.27321	0.8
70.01514	0.1
70.06575	0.1
71.07367	3.2
79.05501	0.1
81.03437	0.1
81.07043	0.2
86.09700	29.0
87.10023	0.2
91.05515	0.1
93.07030	0.2
98.98459	3.0
104.10731	3.1
105.07010	0.2
117.07000	0.1
119.08578	0.1
124.99992	19.3
131.33955	0.1
143.01035	0.4
159.38625	0.1
166.02733	0.2
184.07327	100.0
185.07661	0.9
222.08795	0.1
269.99042	0.1
374.17960	0.1
597.31165	0.1
658.36719	0.3
672.42084	0.1
722.43414	0.1
738.42401	0.1
740.43829	0.1
756.44244	0.6
758.45306	0.3
792.50861	0.3
810.52570	0.5
826.52338	0.8
844.48871	0.8
845.49237	0.2
874.95398	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.7
67.05505	4.5
69.03435	2.3
69.07061	2.2
70.76275	0.7
70.82349	0.3
71.01376	0.6
71.04998	0.6
73.02914	3.2
79.05492	5.0
81.03426	1.7
81.07046	5.7
83.05006	0.7
83.08620	0.8
85.02900	4.0
86.09717	1.6
91.03957	2.2
91.05473	4.1
91.05958	0.4
93.07044	4.8
93.77794	0.3
95.04974	1.2
95.08610	2.8
97.02895	3.7
97.06519	0.8
97.10162	0.4
99.04469	0.8
101.02401	1.6
105.07043	3.4
107.04993	0.4
107.08580	2.8
108.16388	0.3
109.02895	0.6
109.06518	0.6
109.10181	1.4
117.07023	1.2
119.08591	3.0
121.10136	1.8
125.00023	1.2
127.03948	0.9
129.05510	0.5
129.07002	0.8
131.08568	1.8
133.10130	2.5
135.11743	1.3
143.08563	0.7
145.10141	1.2
147.11716	1.1
149.13354	0.5
157.10207	0.4
159.11754	0.7
161.13263	0.5
184.07346	5.2
185.04323	0.8
185.07761	0.5
203.05336	0.4
235.53763	0.3
243.08418	3.8
259.20486	0.6
301.09067	1.4
315.10645	0.5
317.20804	0.5
333.20316	1.7
335.23666	0.4
355.13651	0.4
373.11563	0.5
373.23712	0.4
375.50635	0.3
389.23087	0.6
397.17944	0.4
397.64505	0.3
429.17523	0.6
439.19382	1.2
453.21030	0.9
465.20758	0.6
469.20831	0.5
477.25171	0.4
535.28827	6.1
541.22003	0.4
551.28253	7.8
623.30383	1.1
707.40851	0.5
733.41187	0.5
755.86969	0.4
816.58801	0.4
845.50146	100.0
846.50409	5.6
871.44128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.2
67.05511	6.5
69.03425	2.9
69.07077	4.9
71.05002	0.7
71.13712	1.3
71.14050	0.8
73.02921	2.9
79.05492	4.9
81.03429	2.9
81.07058	6.9
83.04980	1.0
83.08638	1.3
85.02905	3.6
86.09706	5.5
91.03960	1.7
91.05473	4.6
93.07039	5.0
93.67370	0.7
95.04975	2.3
95.08607	2.8
97.02887	4.3
97.03451	0.7
97.06579	1.0
101.02392	1.7
103.56074	0.7
105.07024	3.7
107.04942	1.2
107.08617	2.1
109.02827	0.8
109.06567	0.7
109.10152	0.9
115.05555	0.7
117.07044	2.0
119.08597	2.9
121.10157	1.6
123.96207	0.6
125.00021	3.3
127.03936	1.0
131.08565	1.3
133.10127	2.0
135.11728	1.6
143.08504	0.8
145.10130	1.1
147.11728	0.9
149.09624	1.0
151.11177	0.6
154.24988	0.6
157.10136	0.8
159.11716	2.0
163.07448	0.7
184.07330	14.2
185.07730	1.0
185.13335	1.0
189.19090	0.8
203.05196	0.9
220.96544	0.6
243.08394	3.8
255.72139	0.7
275.20206	0.9
314.79700	0.6
315.19443	2.5
371.22079	1.1
389.23981	0.7
422.45685	0.8
439.19699	1.1
446.83255	0.7
533.27081	6.8
535.29071	1.9
549.26892	1.8
551.28259	4.4
843.48535	100.0
844.48932	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	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	1.5
61.02924	4.3
62.67678	0.5
65.03964	0.6
65.72981	0.5
67.05505	10.9
68.05828	0.8
69.03436	4.4
69.07064	5.6
71.01354	0.5
71.04996	1.1
71.51693	0.7
73.02921	2.9
79.05485	10.0
80.05808	0.7
81.03423	3.8
81.07050	12.2
82.07392	1.0
83.04982	1.6
83.08617	3.4
85.02896	4.1
85.06551	1.0
86.09701	5.7
91.03963	2.8
91.05470	9.7
92.05830	0.6
93.07045	10.9
93.07633	0.5
94.07349	0.8
95.04971	2.1
95.08602	7.9
96.08948	1.4
97.02882	4.5
97.06536	1.4
97.10172	2.9
98.98444	0.8
99.04453	0.7
100.18166	0.5
101.02388	1.3
104.10743	0.7
105.07018	8.1
106.07351	1.0
107.04951	0.9
107.08584	5.9
108.08950	0.9
109.02816	0.8
109.06544	1.4
109.10157	3.5
110.10424	0.6
111.08083	0.8
117.07021	3.0
119.08584	5.0
120.08910	0.8
121.10146	3.9
123.08102	0.9
123.11753	1.1
124.99986	3.0
125.09650	1.9
127.03884	1.0
129.05461	0.7
129.07013	1.8
131.08534	4.2
133.10095	4.1
134.10481	0.8
135.08093	0.6
135.11703	1.7
136.12035	0.7
137.09615	0.7
141.06972	0.7
141.18362	0.6
143.08575	0.9
145.10147	2.7
146.10504	0.8
147.11655	3.0
148.12056	0.7
149.09615	1.1
149.13281	2.2
155.08559	0.6
157.10135	1.5
158.53159	0.6
159.11719	2.3
161.13173	1.2
163.11206	0.8
169.10133	1.0
170.10571	0.9
171.11702	1.3
173.13257	1.1
183.11722	0.9
184.07329	17.9
185.04263	0.9
185.07722	1.8
185.13373	1.0
197.13260	0.6
203.05351	0.9
209.22643	0.5
223.13255	0.8
229.14433	0.6
241.19756	0.8
243.08342	3.6
259.20602	1.4
261.22144	0.8
267.15891	0.6
269.17322	2.9
270.17889	1.0
275.20074	1.7
291.19644	1.8
301.08948	2.0
312.07111	0.6
331.18817	1.8
333.24377	1.7
334.24704	1.2
335.25797	4.2
336.26035	2.9
349.23785	0.9
361.39487	0.6
465.20743	0.7
527.37799	1.0
528.37939	2.8
529.38593	1.7
530.39191	2.5
535.28711	6.3
549.26703	7.1
609.45288	0.8
610.44983	1.9
621.29028	1.2
628.46484	2.0
843.48517	100.0
844.48944	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	843.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	1.2
61.02923	2.6
64.21653	0.3
67.05511	3.7
68.50893	0.3
69.03439	2.2
69.07065	0.8
71.01362	0.4
71.04996	0.4
71.07368	1.1
71.52494	0.4
71.52879	0.4
73.02920	2.2
79.05503	3.3
81.03426	1.1
81.07054	2.7
83.04973	0.3
83.08619	0.5
85.02905	2.9
85.06561	1.1
86.09703	6.9
87.10038	0.7
91.03952	1.9
91.05472	3.3
93.07052	3.6
94.33843	0.3
95.04977	2.8
95.08606	1.8
97.02897	2.7
97.10188	0.4
98.98492	0.8
99.04453	0.3
101.02401	1.1
103.04011	0.3
103.72700	0.3
104.10744	0.6
105.07038	3.2
107.08580	1.6
108.23818	0.3
109.02854	0.5
109.06501	1.6
109.10148	0.9
113.06004	2.1
115.03956	0.4
117.07022	1.2
119.08586	2.1
121.06445	0.4
121.10168	1.2
123.08074	0.4
125.00002	5.5
126.00359	0.5
127.03907	1.0
129.07005	0.7
131.08586	1.2
133.10144	1.5
135.08052	1.3
135.11734	0.9
143.08582	0.7
145.10161	0.9
147.11746	0.9
149.13292	0.5
151.11201	0.3
157.10075	0.5
159.11729	0.8
161.09535	0.4
161.13278	0.4
163.11148	0.3
171.11661	0.4
175.11252	0.3
184.07338	24.7
185.04279	0.5
185.07677	2.7
203.05435	0.4
243.08401	2.7
259.20532	0.4
273.18442	0.5
301.09149	1.2
313.09225	0.3
331.18790	4.4
341.12070	0.5
373.11475	0.4
383.16446	0.3
385.18484	0.5
387.21634	1.0
397.18524	0.4
465.21091	1.1
495.22208	0.8
534.52539	0.3
535.28833	6.1
536.29211	0.4
549.26807	7.3
621.29114	0.9
843.48584	100.0
844.48895	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	842.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50536	4.0
62.47757	4.2
62.54276	3.9
65.03936	6.7
67.05503	100.0
68.05806	5.5
69.03428	11.1
69.07075	34.5
71.04975	5.9
71.08617	7.3
71.52795	5.8
73.02901	4.2
76.21277	5.5
79.05492	88.2
81.03417	13.7
81.07053	94.9
83.04986	10.4
83.08610	18.2
85.02904	10.3
85.06545	5.9
86.09676	6.6
91.05481	79.5
93.07039	91.6
95.04967	13.0
95.08607	62.0
97.02898	13.1
97.06535	6.4
97.10152	8.1
99.08076	7.0
103.05480	4.3
105.07035	66.6
107.04922	3.9
107.08591	42.6
109.06500	5.4
109.10166	29.6
110.11624	4.0
111.08095	6.3
115.05373	4.2
117.06994	30.9
119.08573	46.5
121.10158	20.1
123.08122	4.2
123.11701	10.6
125.09591	8.1
128.06299	4.9
129.05449	7.7
129.06969	22.3
131.08556	54.8
133.10123	33.7
135.11696	22.9
137.15402	4.6
139.11148	4.5
141.06993	6.4
143.08597	24.2
145.10120	40.8
147.11688	29.1
149.09663	6.1
149.13240	9.5
151.11159	8.3
155.08572	10.2
157.10109	21.2
159.07971	4.4
159.11653	21.7
161.13248	12.6
163.11266	5.0
163.14777	5.6
169.10118	11.6
171.11674	17.9
173.11856	6.7
173.13289	20.9
175.14740	5.6
177.12659	5.3
183.11726	12.3
184.07323	21.3
185.13309	11.6
187.14771	10.9
189.16260	4.7
195.11729	5.4
195.13838	5.4
197.13168	8.4
199.14822	10.1
201.16374	7.0
213.16568	5.2
229.14325	8.3
235.14790	4.5
241.19548	9.4
243.21037	9.0
257.18991	8.0
259.20602	17.8
269.17435	9.5
277.21619	5.2
301.25070	4.8
311.74173	4.7
312.14572	5.0
333.24237	9.3
335.25626	13.0
519.41858	10.5
527.37274	19.5
529.38751	10.9
544.77539	4.7
609.45026	9.0
611.46716	54.6
627.45709	9.9
658.31287	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	842.517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07377	0.2
60.08162	5.7
67.05500	0.4
69.07061	0.2
69.52837	0.7
70.06581	0.2
71.07367	3.5
77.23063	0.1
79.05499	0.2
80.97421	0.1
81.03423	0.1
81.07047	0.3
83.04976	0.1
86.09702	29.3
86.49654	0.1
87.10033	0.3
91.05479	0.3
93.07041	0.2
95.08601	0.2
98.21459	0.1
98.98457	3.3
104.10736	3.1
105.07007	0.2
107.08605	0.1
116.99464	0.1
117.07027	0.1
118.66344	0.1
119.08574	0.1
121.10211	0.1
121.87553	0.1
124.99998	19.5
126.00379	0.1
131.08559	0.1
143.01062	0.3
166.02684	0.2
184.07332	100.0
185.07654	1.0
214.28050	0.1
222.08870	0.1
224.10422	0.1
382.60483	0.1
539.76001	0.1
623.43878	0.1
670.40234	0.1
672.58392	0.1
710.43030	0.1
720.41760	0.2
738.42627	0.2
742.42365	0.1
756.44690	0.8
778.45575	0.2
790.49219	0.2
808.49963	0.3
824.50751	1.3
842.51587	0.6
843.47949	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	841.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.3
69.03416	4.8
70.97767	2.0
79.05489	1.9
80.05003	1.3
81.03409	2.7
81.05766	1.1
82.06548	1.4
85.02898	7.2
91.05458	1.7
92.05015	1.2
93.05769	1.0
93.07041	3.5
94.06561	6.7
95.07336	2.8
96.08120	10.9
97.02883	4.2
106.06548	4.1
107.07312	2.9
108.04487	1.1
108.08109	20.1
108.08789	1.6
109.02873	1.2
110.06065	1.4
110.09677	17.3
116.04923	2.2
118.06557	2.7
120.04466	3.1
120.08102	14.2
122.06026	13.3
122.09677	3.9
123.04404	1.3
124.07590	8.8
127.03919	1.3
130.48174	0.8
132.08098	3.1
134.05986	2.1
134.09593	1.0
136.07567	24.0
138.05504	1.7
138.09131	26.5
144.04457	5.2
146.06001	17.3
148.07558	12.5
150.09131	17.9
152.07056	21.9
158.06004	2.1
160.03951	1.8
160.07567	3.3
162.05495	3.0
162.09132	3.1
164.07053	16.2
166.08632	63.3
172.03922	48.6
174.05496	1.1
176.07101	1.8
178.08647	1.3
182.08130	13.7
182.09631	1.6
184.09969	1.4
190.04973	17.5
192.06554	1.4
192.10236	1.3
194.08157	1.2
197.10765	2.2
198.11533	4.4
199.12383	2.3
204.06548	100.0
205.06915	1.9
206.08102	2.6
209.10760	2.9
210.09508	0.9
210.11482	3.0
211.12268	7.1
212.13069	1.2
218.08165	2.0
221.10770	2.4
222.07623	1.0
222.11415	1.1
223.12236	5.1
224.13144	1.0
225.10223	4.1
225.13907	2.1
226.11072	2.9
227.11671	4.4
229.09608	1.3
235.08588	2.9
235.12251	1.7
236.05501	1.0
236.09351	2.2
236.12895	1.1
237.10204	8.1
237.13902	2.7
238.10960	5.3
239.11754	11.1
240.12459	1.7
241.09660	1.4
241.13348	2.2
243.11320	1.4
245.12852	1.2
248.09398	2.7
249.10228	14.9
250.10881	8.5
251.11758	18.6
252.09015	1.5
252.12581	4.8
253.09608	1.3
253.13339	7.6
255.11234	5.0
256.12061	1.4
257.12906	2.1
259.14392	1.2
263.11783	35.0
264.09021	3.3
264.12558	8.6
265.09790	5.2
265.13367	16.4
266.10434	3.8
266.13791	1.7
267.11273	9.5
267.14359	1.8
269.12744	5.0
271.10910	1.9
271.14404	5.2
273.12332	3.1
275.11673	1.5
276.08875	1.6
277.09653	4.0
277.12848	1.4
278.10498	5.8
279.11261	32.3
280.11957	2.8
281.12802	14.4
282.09995	2.4
283.10825	4.5
283.14276	1.6
284.11420	1.8
285.12372	10.3
287.13895	2.6
291.11227	27.2
292.11957	8.1
293.09430	0.9
293.12778	23.1
295.10782	6.2
295.14053	1.7
296.11548	2.5
297.12314	39.4
298.12946	3.5
299.13892	14.5
300.14420	1.0
305.09189	1.7
305.15118	1.6
307.10730	3.4
307.14117	1.2
309.12332	29.4
310.13013	1.3
311.10278	2.4
311.13788	12.9
313.11945	1.2
315.13324	10.0
319.10712	18.3
319.14072	1.4
321.12259	3.5
323.10312	7.4
323.13632	1.7
325.11792	23.4
325.15540	1.6
326.12534	1.2
327.13458	5.8
328.14285	1.9
329.15134	1.5
337.11792	80.2
338.12210	2.3
339.13403	7.1
341.11310	3.8
343.12927	1.6
351.13336	2.8
355.12802	9.7
356.13678	1.7
357.14417	22.1
358.15240	1.3
359.16208	1.3
369.14395	15.7
370.15146	1.7
371.16211	4.7
373.13928	15.7
383.12256	1.0
386.18597	1.1
398.15555	1.3
399.15808	1.7
401.13345	3.7
404.19879	2.0
416.16028	2.4
418.21490	1.3
420.18829	1.4
428.15472	1.1
430.17410	2.0
432.19379	1.8
432.68427	1.0
444.19193	2.7
446.20834	3.1
448.22830	1.4
449.19482	1.3
450.20197	3.0
458.16931	3.4
462.19946	4.9
464.21994	16.2
472.18692	4.4
474.20706	4.4
476.17767	2.2
478.18668	1.2
482.19342	1.7
487.16974	3.9
490.19690	35.9
491.20062	1.4
492.21075	2.2
504.21332	1.2
506.23041	7.8
508.20728	4.1
514.21747	1.6
522.22290	60.8
523.22382	2.7
526.21521	1.7
535.19171	2.2
587.25037	1.6
611.25018	10.2
612.24658	1.2
626.17554	1.4
626.26971	14.8
629.25732	11.1
634.23645	2.9
643.27588	8.6
647.27026	24.3
652.24945	42.8
653.25537	2.2
661.28113	3.4
670.26422	1.2
679.29602	9.6
684.27551	77.4
685.27808	4.0
791.31299	1.9
809.31976	7.0
841.34094	3.2
858.20020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.2
65.03923	1.2
67.05508	1.2
67.85167	0.8
69.03442	4.1
71.12215	1.8
73.02901	1.1
77.37027	0.8
78.46530	0.8
79.05488	1.8
80.04984	1.0
80.67354	0.9
81.03419	1.5
85.02907	6.6
91.05455	1.3
93.07027	3.4
94.06561	10.3
95.07335	3.0
96.08121	11.3
97.02892	2.6
106.06551	5.1
107.07301	2.5
108.08115	15.5
109.02838	1.1
110.06012	1.9
110.09670	17.0
118.06569	1.2
120.04460	3.7
120.08112	15.7
122.06030	15.0
122.09654	3.7
123.06789	1.2
124.07585	10.1
127.03896	1.3
132.08128	1.1
134.05988	2.5
134.09622	1.9
136.07570	23.1
137.08282	1.0
138.05518	1.9
138.09132	29.3
144.04416	2.9
146.05998	22.6
146.09671	1.4
147.06456	0.9
148.07549	15.2
150.05444	1.2
150.09142	14.1
152.07065	16.5
155.51393	0.9
158.06004	2.3
160.03864	1.5
160.07578	1.8
162.05519	2.2
164.07066	10.5
166.08635	75.7
172.03926	22.9
172.07645	1.0
174.05452	1.5
174.09200	1.0
176.07031	2.7
180.10222	1.1
182.08136	3.5
182.09572	1.1
190.04974	19.1
192.06532	1.1
197.10750	2.8
198.11496	3.1
199.12289	1.4
204.06555	31.1
210.11484	4.1
211.12297	6.5
212.13057	2.1
213.13893	1.2
218.08121	2.9
221.10640	1.5
222.11372	1.3
223.12253	5.5
224.09406	1.2
224.13039	1.0
225.10262	5.6
225.13826	3.0
226.10921	2.9
227.11739	5.3
230.93700	0.8
235.08586	4.3
235.12309	2.3
236.09373	2.5
237.10185	8.5
237.13837	3.3
238.10927	7.4
239.11771	15.5
240.12584	1.3
241.09673	0.9
241.13326	2.5
243.11278	1.8
245.12801	1.2
246.07451	1.0
248.09470	3.0
249.10214	11.0
250.10916	10.7
251.08080	2.0
251.11792	20.8
252.08885	1.5
252.12581	5.1
253.09633	2.0
253.13332	6.7
255.11302	3.2
256.12134	1.1
257.12808	3.7
259.14349	1.6
262.06940	1.5
262.10956	1.6
263.11780	37.8
264.08841	3.8
264.12488	8.5
265.09714	8.0
265.13309	19.1
266.10422	3.3
266.13776	1.6
267.11298	11.0
267.14304	1.4
269.12885	6.1
271.10846	1.8
271.14365	6.4
273.12329	4.8
275.11963	1.8
276.08875	1.4
277.09595	5.9
278.10519	6.2
279.11267	28.8
280.11911	2.9
281.12860	16.4
282.09933	3.4
282.13519	1.1
283.10736	4.7
283.13937	2.0
284.11511	3.9
285.12347	13.1
287.13840	3.3
291.11255	36.4
292.12097	8.6
293.09647	1.1
293.12817	29.0
295.10736	7.5
295.14081	1.3
296.11612	2.7
297.12332	41.1
298.13040	4.4
299.13882	21.8
305.09183	1.0
305.15247	2.1
307.10809	5.0
309.08740	1.7
309.12320	26.1
310.12714	1.9
311.10208	5.5
311.13849	16.9
313.11707	1.4
313.15399	1.4
315.13406	16.2
319.10748	21.7
321.12286	4.8
323.10333	6.9
323.16180	1.7
325.11810	33.2
326.12265	1.2
327.13312	6.3
328.14551	1.0
330.15720	1.4
337.11798	100.0
338.12283	4.1
339.13419	7.2
341.11264	1.2
343.12842	3.4
351.13379	2.9
355.12747	4.2
357.14374	12.1
358.15106	1.0
369.14426	7.3
370.15131	1.4
371.15982	3.8
373.13791	2.4
386.18942	1.6
390.18182	1.4
399.15344	1.2
401.13330	7.7
402.18335	1.3
404.19971	2.2
413.16699	1.2
416.15958	2.5
418.21170	2.3
420.19040	1.1
426.17883	0.9
430.17529	3.4
432.19196	3.0
444.19067	3.2
446.21600	4.8
448.17596	1.3
448.22775	1.5
449.19379	2.3
450.20145	4.0
458.16864	2.5
461.19275	1.1
462.20355	5.4
464.22000	30.3
465.22379	1.1
472.18591	6.6
474.20245	2.4
476.18134	3.1
477.18771	1.7
482.18903	3.1
487.17075	6.8
490.19696	56.5
491.19861	2.5
492.20984	1.4
494.19257	1.8
499.17291	1.1
506.23160	1.3
508.20724	5.8
514.21655	2.2
519.19684	1.1
522.14905	1.7
522.22296	24.2
523.22821	1.1
526.21899	1.3
585.27197	1.2
587.24982	1.9
603.27655	2.7
608.26105	1.8
611.24811	7.4
612.24792	2.2
626.27051	29.1
629.26001	13.7
634.23895	5.4
643.27850	1.2
647.27051	36.3
648.26849	1.4
652.24951	73.5
653.25720	4.9
679.29919	9.2
684.27545	21.9
685.28101	2.3
773.30182	1.3
791.31818	2.2
809.32135	13.1
841.34351	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	7.8
61.02926	3.7
65.03925	3.9
67.05500	59.4
69.03409	5.9
69.07060	21.1
71.04976	5.9
71.07372	3.1
71.52773	1.5
73.02888	1.7
79.05486	52.5
81.03384	5.7
81.07050	63.1
83.04955	6.1
83.08608	12.4
85.02882	5.0
85.06531	5.0
86.09175	1.5
86.09699	32.9
91.04903	3.1
91.05472	61.8
93.07038	57.6
93.07639	2.2
93.97987	1.3
95.04961	9.7
95.08598	41.4
95.11501	1.4
97.02876	4.2
97.06532	7.5
97.10157	6.6
98.98441	4.0
99.08097	2.9
103.05446	2.5
104.10722	3.2
105.04544	1.9
105.07019	61.9
105.56372	1.7
107.04953	3.7
107.07886	2.5
107.08582	37.3
109.06511	4.9
109.10136	16.3
111.08066	4.1
115.03864	1.4
115.05425	4.2
116.06196	1.4
117.06140	1.7
117.07004	29.8
119.08570	46.9
120.60559	1.7
121.06488	3.1
121.10133	24.0
123.08061	4.8
123.11678	4.4
123.31828	1.4
124.99986	21.5
125.09620	5.0
128.06197	4.3
129.06976	16.8
130.07726	4.8
131.08548	31.0
131.36794	1.3
133.10117	37.2
133.11102	2.3
134.10426	2.0
135.08034	6.3
135.11674	15.4
137.09564	3.3
141.06966	4.6
142.07777	4.2
143.08546	16.5
145.06465	2.4
145.09058	2.7
145.10101	27.6
147.11681	21.9
149.09586	7.7
149.13155	7.4
151.11179	2.4
155.08519	9.1
156.09319	1.7
157.10141	15.5
159.11673	24.8
161.09676	1.7
161.13261	14.6
162.13542	2.1
163.11147	4.9
163.14761	3.7
165.06946	2.3
167.08556	4.5
169.10114	8.9
171.11647	15.3
173.09558	1.6
173.13226	12.1
173.25630	2.1
175.11203	1.9
175.14815	6.0
177.12682	3.1
179.08592	2.7
179.14351	1.8
181.10078	5.0
181.12093	1.7
182.10873	1.6
183.11694	8.6
184.07324	100.0
185.07664	1.8
185.13293	9.3
187.14864	5.0
189.11115	2.0
192.87971	1.5
193.10010	2.5
195.11652	5.6
195.13435	1.7
197.13251	7.3
199.11142	1.7
199.14839	5.9
201.12785	1.9
201.16313	2.4
205.10023	1.7
207.11731	2.0
209.13315	3.1
211.14861	4.6
213.16386	3.6
219.11702	2.0
221.13243	4.7
223.14893	3.6
225.16350	2.3
227.12706	2.0
228.13132	1.6
231.21039	1.6
239.17941	2.3
241.19534	12.6
255.15887	6.4
257.19031	4.3
259.20554	23.9
261.22247	1.8
263.18173	1.9
267.20261	1.6
269.17352	9.5
275.20032	13.7
297.22153	1.8
313.21582	2.9
315.23077	3.6
325.25055	1.6
331.22699	1.6
333.24265	26.4
349.23788	8.4
350.24030	1.9
363.26202	2.3
367.24835	2.0
421.30682	1.6
435.32706	3.9
439.32681	2.1
513.35748	9.0
515.38354	5.6
527.37299	14.7
529.90289	1.6
533.39746	2.4
539.37256	1.8
545.38611	3.5
553.38947	2.7
559.35382	1.8
567.40283	3.8
607.43610	24.6
625.44458	19.7
754.41827	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	4.2
60.08157	3.7
61.02920	2.8
65.03928	3.4
65.37715	1.2
66.41316	1.3
67.05505	69.3
67.56082	1.2
69.03414	5.6
69.07067	23.9
71.04978	5.3
71.07368	2.2
71.08611	1.5
79.05492	72.7
81.03406	4.9
81.07055	64.2
83.04972	8.9
83.08610	24.1
85.02888	3.0
85.06539	3.9
86.09707	22.0
91.05479	70.3
93.07043	58.7
93.07641	2.0
95.04974	7.1
95.08604	37.5
96.60381	1.1
97.06548	8.2
97.10173	34.1
98.98450	2.6
99.04401	1.4
99.08123	2.1
103.05451	3.5
104.10711	3.9
105.04501	1.6
105.07029	74.7
107.04940	4.5
107.08591	66.2
109.02850	1.4
109.06497	5.3
109.10152	23.3
111.08054	5.2
115.05492	3.0
116.06195	1.6
117.06236	2.0
117.07016	28.0
119.08578	49.5
121.06499	2.3
121.10134	19.5
123.08070	3.6
123.11694	13.0
124.99991	11.5
125.09628	26.7
128.06223	4.6
129.06990	17.0
130.07805	2.9
131.07607	1.9
131.08569	29.6
133.09122	2.2
133.10124	42.2
135.08026	5.1
135.11687	13.8
141.06993	5.7
142.07730	2.5
143.08562	20.6
143.10538	1.2
145.10117	33.5
147.11681	25.4
149.09590	8.5
149.13232	6.2
151.11168	1.9
153.09114	2.3
155.08534	12.0
156.09297	1.8
157.10132	18.9
159.08157	1.5
159.11679	23.8
161.09579	2.3
161.13266	15.1
163.11172	3.7
163.14848	3.0
167.08549	4.0
168.09247	1.9
169.10129	12.9
171.10269	2.6
171.11678	18.4
173.11880	2.3
173.13252	12.3
175.14777	6.7
177.12758	2.1
179.08578	4.2
180.09315	1.3
181.10095	4.9
182.10864	3.0
183.11708	14.3
184.07344	69.8
184.12434	1.6
185.13261	12.9
187.13274	5.7
187.14841	4.9
189.11226	15.1
193.10074	2.0
193.65247	1.3
195.11681	6.9
196.12415	1.3
197.13268	10.9
199.14867	8.7
201.12932	1.3
201.16348	4.0
203.14423	1.6
205.15802	1.4
207.11725	2.5
209.13216	6.2
211.11154	1.7
211.14841	6.7
213.12843	2.1
213.16476	6.3
215.17964	3.1
217.15797	1.6
221.13274	4.9
221.15218	1.8
223.14899	4.2
225.16356	4.3
227.12750	19.5
227.17911	4.1
229.19472	2.4
231.17365	1.4
231.20894	1.6
235.14830	2.2
237.16299	3.6
239.18002	6.0
241.19519	12.0
243.15891	9.1
245.13759	2.6
249.16386	2.0
251.18018	3.5
253.19662	2.5
257.19092	9.3
259.20538	28.9
259.71109	1.3
261.22226	1.4
265.19519	1.7
267.21237	2.6
273.21957	1.7
275.20023	20.5
295.20303	1.5
297.22107	1.7
301.21478	2.0
309.21902	1.5
313.21402	1.5
315.23129	5.5
323.23535	1.9
325.21695	2.0
331.22717	3.1
333.24304	27.4
339.23138	1.7
349.23865	15.9
363.26913	2.4
365.28452	12.9
381.27335	2.2
381.31497	4.2
383.29373	4.8
395.29343	1.5
407.29556	1.6
421.30914	3.5
429.30103	1.8
439.32034	5.1
445.30872	1.7
447.32300	1.6
485.32230	3.5
495.34842	1.8
503.33789	5.9
513.35510	9.9
515.39056	9.8
517.35315	2.9
525.36066	2.2
533.39563	8.1
539.37628	1.9
543.37164	1.8
551.40680	2.8
555.36682	2.1
589.42798	3.7
607.43524	68.8
608.43921	2.4
611.35443	1.8
625.44574	100.0
626.44452	4.4
647.37701	2.2
680.55524	1.7
787.50037	2.7
832.69318	1.7
840.49463	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34986	3.4
65.03954	5.5
67.05496	73.7
69.03418	5.8
69.07066	41.5
71.04971	6.4
71.08614	27.3
71.51810	4.4
79.05489	73.4
81.03425	8.5
81.07050	100.0
83.04984	16.9
83.08607	20.1
85.02891	4.7
85.06526	5.4
91.05475	76.9
93.07033	93.9
95.01336	7.7
95.04963	16.7
95.08595	59.1
97.02905	3.9
97.06522	22.3
97.10136	6.4
99.08086	21.6
103.05424	3.2
105.04507	4.3
105.07018	82.4
105.07687	4.9
107.04955	19.6
107.08577	41.6
109.06502	7.6
109.10153	14.8
111.04362	3.7
111.08084	4.1
113.09631	4.8
117.07011	17.9
119.08578	41.1
121.06497	6.0
121.10143	31.2
123.08041	4.9
123.11700	5.4
125.09658	5.5
129.05566	3.9
129.07002	5.1
130.92659	3.2
131.08551	36.8
133.10117	46.2
135.11661	30.0
137.09604	3.9
143.08566	9.0
145.06525	3.6
145.10083	21.7
147.11684	25.5
149.09613	10.0
149.13269	13.2
151.11179	13.2
157.10194	5.5
159.11662	17.4
161.09586	4.3
161.13248	20.9
163.11177	10.4
169.10031	5.1
171.11613	6.7
173.13248	9.3
175.14915	5.4
177.12752	7.4
179.14299	71.0
184.07379	6.9
185.13206	4.8
195.13884	6.3
241.19499	6.2
243.84969	4.0
251.24094	3.7
257.19046	4.7
259.20605	13.4
261.22290	4.4
269.17490	15.0
275.20071	60.8
277.21613	49.3
293.20929	8.6
333.24200	18.4
335.25845	17.9
349.23602	31.7
351.25208	35.3
367.24701	4.6
381.95251	3.3
532.11493	4.0
534.69226	4.7
543.36804	16.5
545.38464	27.7
609.36066	6.4
609.45050	71.6
625.44611	9.3
643.45184	6.6
754.25043	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.4
65.03931	5.7
67.05502	93.3
69.03432	11.0
69.07065	47.5
70.52910	1.9
71.01339	2.0
71.04980	6.8
71.08622	2.0
79.05491	90.5
80.22461	1.8
81.03419	12.6
81.07055	100.0
83.04981	11.8
83.08622	21.4
85.02905	8.0
85.06534	6.8
86.09700	5.0
91.04905	4.4
91.05479	92.3
93.07043	96.9
95.04970	16.1
95.08604	64.2
97.02865	4.5
97.06529	15.7
97.10183	10.7
98.20823	5.0
99.04440	2.4
99.08092	3.2
102.22263	1.8
103.05486	3.6
105.04510	3.8
105.07027	94.6
107.04943	8.8
107.08591	60.0
109.06522	5.9
109.10150	30.2
111.08066	7.4
113.09665	3.9
115.05424	4.0
117.07011	36.9
119.08581	67.6
121.06466	2.9
121.10126	31.0
123.08064	5.2
123.11692	5.6
124.99989	3.0
125.09631	7.5
127.03931	3.7
128.06224	4.8
129.05507	3.0
129.06989	25.1
130.07782	3.7
131.08557	46.9
133.10126	55.5
135.08037	5.6
135.11679	26.9
137.09555	4.0
137.13190	2.1
141.06961	7.8
142.07770	5.1
143.08543	20.3
145.06483	3.1
145.10110	45.9
145.32924	2.1
146.10583	2.2
147.07985	2.1
147.11696	39.9
148.12004	2.1
149.09637	12.4
149.13257	13.8
151.11121	4.6
154.07759	3.0
155.08546	13.8
157.10133	29.1
159.08028	2.1
159.11670	31.5
161.09663	4.1
161.13264	19.1
163.11153	9.0
163.14801	4.6
165.06918	2.8
167.08574	3.3
169.10152	14.4
171.11687	24.4
173.09563	3.5
173.13271	18.8
175.11119	4.2
175.14841	6.8
177.12750	4.2
179.10884	2.0
179.14268	2.0
181.10098	7.4
183.11661	18.7
184.07336	17.4
185.13248	15.7
187.11101	2.8
187.14795	8.3
189.11186	4.5
189.16454	2.7
195.11671	7.7
195.13649	3.0
197.13248	9.8
199.14807	9.5
201.16441	2.6
207.11646	5.4
209.13213	5.3
211.14783	5.5
213.16405	6.2
221.06181	2.0
221.13277	4.5
223.14786	4.8
225.16435	4.5
227.12833	4.0
231.21103	3.3
235.14795	2.5
239.17998	3.4
241.19501	15.9
251.17960	2.3
255.15855	7.5
257.19046	8.4
259.20584	45.7
261.22202	4.1
267.15945	2.7
269.17303	13.0
275.20145	26.3
297.22006	2.8
313.21594	2.6
315.23233	7.3
317.21390	2.3
321.73520	2.1
333.24234	54.3
335.25732	4.3
341.24673	3.2
349.23862	14.8
359.08582	2.0
367.24606	3.0
403.29523	2.3
417.31714	2.3
420.12726	2.1
435.32660	4.5
453.33545	4.8
471.34647	2.8
489.35541	3.3
509.36188	5.2
513.35742	30.5
515.38184	5.0
525.35590	2.5
527.37360	42.8
528.37433	3.4
531.36475	2.0
537.35760	2.3
545.38605	4.5
598.57434	2.6
607.43512	31.6
608.44348	2.6
625.28772	2.3
625.44550	29.9
626.44464	2.9
705.00800	2.2
787.49152	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	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	6.0
65.03928	6.4
67.05503	100.0
69.03429	11.7
69.07066	34.7
71.04994	7.7
73.02888	2.6
75.68684	1.2
79.05490	85.0
81.03422	6.9
81.07051	89.1
83.04976	12.6
83.08615	14.0
85.02887	9.4
85.06547	5.1
85.49166	1.2
86.09692	4.6
87.04472	1.5
91.03947	2.9
91.05476	97.4
93.07039	88.4
93.07642	2.7
93.07919	1.5
95.04960	13.4
95.08600	63.2
97.02883	8.3
97.06528	11.4
97.10161	5.7
97.12976	1.3
98.21637	2.5
99.08080	4.5
103.05457	4.2
105.04530	2.1
105.07026	89.9
107.04942	5.4
107.08585	46.2
109.06489	7.7
109.10145	20.4
111.04492	1.5
111.08054	6.8
113.09637	1.6
115.05460	5.8
116.06230	2.7
117.07011	40.2
118.07870	1.4
119.08578	63.0
121.06520	3.6
121.10130	29.2
121.10946	2.5
123.08041	4.2
123.11737	6.6
125.00057	2.1
125.09618	6.1
127.03897	3.4
128.06203	8.5
129.05453	3.9
129.06999	27.8
130.07741	2.9
131.08556	48.5
133.06467	2.3
133.10120	42.9
135.08040	5.0
135.11696	16.6
137.09624	3.5
137.13249	2.9
141.06995	7.8
142.07767	6.4
143.08557	27.6
144.09322	1.7
145.04991	2.2
145.06500	2.9
145.10123	39.6
147.07982	3.1
147.11678	32.0
149.09612	5.0
149.13258	11.9
151.11214	2.6
153.07010	2.5
154.07741	3.3
155.08524	13.3
156.09352	2.9
157.10130	25.8
159.08075	2.7
159.11679	33.7
161.09642	2.2
161.13271	16.5
162.50565	1.4
163.11186	3.2
163.14848	3.5
165.07193	2.0
165.12698	2.4
166.07780	1.3
167.08580	6.5
168.09369	2.5
169.10103	21.6
169.11401	1.9
170.10754	1.5
171.08073	2.5
171.11685	22.2
172.12314	1.5
173.04413	1.6
173.13229	17.6
175.11127	2.5
175.14883	6.4
177.12749	2.0
178.07715	1.6
179.08470	2.6
179.14325	1.8
181.10117	9.3
182.10971	2.5
183.11688	16.3
184.07335	10.3
184.28590	1.5
185.13211	14.6
187.14795	8.2
189.12819	2.3
189.16316	2.0
193.10179	3.1
193.12138	1.6
195.11722	6.7
195.13789	1.5
197.13213	12.7
199.11205	1.7
199.14792	10.6
201.12657	1.7
201.16391	4.3
203.14331	2.6
205.10214	1.5
207.11659	3.4
209.13297	8.9
211.14845	6.5
213.16393	5.9
215.14267	1.5
215.18051	2.2
217.15974	1.7
221.13222	3.6
223.14880	4.7
225.16399	5.1
227.12691	1.8
227.18030	3.0
229.14328	4.7
229.19557	2.9
235.14757	2.1
237.16447	4.1
239.17958	5.2
241.19582	8.2
243.21223	1.5
251.18004	2.6
253.19600	1.8
257.19028	6.1
259.20538	23.0
261.22183	1.5
267.15945	2.7
269.17526	5.2
275.20105	8.4
277.21655	2.4
283.16943	1.4
297.22137	2.0
301.21655	2.2
309.22040	2.8
311.23474	1.9
313.21671	2.8
315.22937	2.9
325.21567	1.8
325.25143	1.8
333.24280	16.4
335.26031	2.1
337.25101	2.5
349.24020	3.6
365.28381	1.6
379.30194	2.1
389.01355	1.5
399.53882	1.5
407.29120	1.5
417.31317	1.8
421.31015	2.5
435.32571	2.9
453.33835	1.9
501.35641	1.6
513.35583	2.5
517.40234	6.3
527.37347	14.0
533.39514	2.4
535.41748	2.8
539.37549	2.6
542.19794	1.6
545.38507	1.7
552.90552	1.5
591.43915	2.2
607.43121	4.2
609.45117	35.0
624.84320	1.5
625.44208	4.7
730.82831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.6
65.03912	3.7
66.20954	2.3
67.05502	86.9
69.03425	6.8
69.07070	37.4
71.04990	8.9
79.05491	81.6
79.05862	1.7
81.03403	11.3
81.07053	100.0
81.07534	4.9
83.04980	10.9
83.08616	18.7
85.02895	2.6
85.06519	5.5
91.05481	78.7
93.07041	90.2
95.04955	13.4
95.08601	58.0
97.02873	6.3
97.06529	13.6
97.10173	8.2
99.08070	3.4
103.05484	3.4
105.04486	2.9
105.07023	87.4
107.04983	8.4
107.08599	49.5
109.02882	2.5
109.06516	5.3
109.10165	19.7
111.08089	5.6
115.05452	3.7
117.07014	30.9
119.04948	2.4
119.08573	71.6
119.09373	4.8
121.06521	3.6
121.10130	35.8
122.10559	2.4
123.08057	7.7
123.11704	9.6
125.09636	4.1
129.06996	15.0
131.08563	40.3
133.06502	2.3
133.10126	50.6
135.11690	28.2
136.19209	2.7
137.09564	3.4
137.13251	2.4
141.06972	5.6
142.07848	3.8
143.08531	19.7
145.10097	34.4
147.08029	3.0
147.11693	39.6
149.09622	8.1
149.13231	13.4
151.11220	3.7
151.92545	2.1
155.08562	7.5
157.10152	18.2
159.11699	30.7
161.13206	19.8
163.11179	6.5
165.12796	2.7
167.08498	4.0
169.10138	9.3
171.11661	17.4
173.13234	15.5
175.14835	8.0
177.12741	3.3
181.10133	6.2
183.11707	9.3
184.07355	6.4
185.13252	16.5
187.14775	4.1
189.12785	3.0
189.16548	2.8
193.10066	3.1
195.11726	5.4
195.13739	3.9
197.13319	5.1
199.11232	2.7
199.14859	7.5
207.11789	3.4
209.13280	4.3
211.14793	5.1
213.12965	2.6
213.16367	4.6
223.14839	4.4
225.16389	3.9
231.21091	4.6
238.83383	2.4
239.18030	2.9
241.19572	14.3
255.15675	12.4
257.19086	5.4
259.20563	41.7
267.15970	3.7
269.17441	23.3
273.18292	2.9
275.20016	12.9
276.20316	3.6
277.21619	3.3
283.20526	3.0
295.20712	2.6
297.22168	4.1
301.21719	3.3
315.23242	6.5
333.24222	46.3
335.25833	4.8
349.23679	10.8
351.25351	2.4
367.24738	5.4
417.31302	4.6
435.32553	10.6
439.31421	2.9
453.33548	5.8
455.94424	2.5
471.34235	3.5
513.35754	14.7
515.37561	3.4
527.37378	61.7
528.38031	2.9
533.40918	2.9
545.38269	6.9
559.72107	2.7
607.43494	17.7
625.44635	17.6
671.41339	3.3
723.93195	2.7
792.62421	2.8
841.45471	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	839.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05977	0.6
65.03964	0.6
69.03419	2.7
69.16302	7.6
70.06562	0.8
75.10620	0.7
79.05486	1.4
80.05019	2.2
85.02934	3.5
89.03922	0.9
89.43117	0.6
91.05455	1.0
93.07036	2.2
94.06561	6.4
95.07351	2.6
96.08125	7.0
97.02870	1.9
98.21544	1.5
106.06557	2.1
107.07352	1.3
108.04478	2.1
108.08115	10.0
109.02835	1.1
110.09675	9.8
116.05000	2.9
120.04453	3.7
120.08092	8.5
122.06025	8.6
122.09682	2.0
123.04362	0.7
124.07583	8.5
124.92490	0.7
127.03913	0.7
134.06003	1.8
136.07573	11.0
138.05521	1.0
138.09143	11.8
139.09485	0.7
144.04417	3.9
146.06017	7.1
148.07533	4.8
150.09172	1.6
152.07063	2.6
158.06024	0.8
160.03934	3.1
160.07571	1.1
162.05499	4.1
164.07083	1.8
166.08624	18.4
166.09959	1.1
172.03920	25.2
174.05524	2.6
176.07088	5.3
178.05045	0.7
185.10736	1.0
186.05435	0.9
187.12445	0.9
190.04977	23.7
194.04074	0.7
198.07739	1.1
198.09331	1.2
199.08714	2.1
199.12323	0.8
201.10280	1.3
204.06544	43.7
205.06984	0.8
209.10745	0.9
210.09256	0.6
211.08713	2.0
211.12245	1.1
212.09412	1.5
213.10265	4.2
215.11731	3.3
221.10788	0.9
223.08707	0.9
223.12413	1.3
224.09406	0.9
225.10249	2.2
226.08801	1.1
226.11009	0.8
227.11671	3.1
229.09612	0.9
235.08751	0.8
236.09428	1.4
237.10208	3.3
238.11055	2.0
239.11737	1.7
241.09785	3.8
243.11282	11.0
245.12897	1.3
249.10320	2.3
251.08127	1.5
251.11710	3.0
252.09100	0.9
253.07474	0.7
253.09578	3.1
253.13284	1.2
255.11331	3.1
256.12036	1.1
257.09128	1.0
257.12888	1.1
259.10861	0.6
261.10162	0.7
263.08258	1.3
263.11703	0.7
264.08932	3.1
265.09744	2.9
266.10437	1.0
267.11267	2.5
269.09280	4.2
269.12796	1.0
270.09964	1.0
271.10849	2.8
273.12354	4.5
277.09799	1.4
278.10489	1.6
279.11203	5.3
281.09210	1.4
281.12726	1.3
283.10645	4.5
284.11517	1.1
285.09137	1.0
285.12341	17.6
287.10211	8.4
291.11130	1.0
293.09320	0.9
294.09821	0.8
295.10898	1.9
297.12326	9.2
299.10544	1.0
299.14014	3.3
301.11957	2.4
302.12805	1.5
303.13385	20.4
304.14200	0.9
305.09332	0.9
307.10724	2.1
309.12427	1.7
310.76309	0.6
311.10330	1.8
311.13724	0.8
312.11075	0.8
312.14908	0.8
313.12009	2.1
314.16571	1.4
316.11026	0.8
316.14227	1.3
318.16202	0.9
323.10245	5.6
325.11804	24.4
326.12711	1.5
327.13770	3.6
328.14700	1.1
329.11563	0.8
329.15231	0.9
330.12369	2.4
330.16028	0.9
331.13297	1.6
332.14172	0.9
337.11819	0.9
340.14465	1.9
341.11572	0.8
342.12610	1.8
343.13040	5.2
344.13834	3.8
345.14621	1.5
346.15448	1.8
347.16144	1.2
354.12247	1.1
355.12952	1.3
356.14005	2.0
357.14484	20.2
358.11688	1.0
358.15540	6.8
360.17194	1.2
368.14023	1.9
370.11914	2.1
370.15982	1.1
371.12888	2.4
372.13464	5.1
372.17468	1.1
373.14230	1.4
374.15036	2.5
376.16708	1.8
381.10611	1.4
382.15631	1.5
384.13156	1.2
385.14175	3.1
386.15021	9.5
387.15817	4.0
392.15820	1.2
394.17548	1.1
396.13443	1.3
397.14078	0.8
398.15128	0.8
400.16724	1.8
401.13773	1.4
402.14108	3.3
402.18866	1.4
403.15030	1.3
404.15872	3.7
406.17557	3.9
410.14957	1.8
412.16800	1.2
413.14996	0.8
414.14435	12.8
415.15289	21.3
416.16031	3.4
418.17776	2.7
420.15302	4.6
428.16147	4.0
430.17776	2.7
432.15482	14.2
434.17261	1.1
438.15265	2.2
444.15344	4.2
446.17004	5.3
456.15588	9.1
462.16519	8.3
474.16602	24.8
475.16904	1.7
476.18338	1.7
487.17047	9.8
488.18164	1.1
494.19360	3.0
506.19183	10.2
519.19342	0.8
539.22620	0.9
581.23700	1.6
583.25751	1.6
585.23694	3.9
591.21899	0.9
599.24915	1.3
609.23450	8.0
627.24445	100.0
628.25061	4.9
641.25684	2.2
645.25848	0.9
659.27136	17.3
753.26917	0.9
761.29498	1.1
771.28210	2.2
789.29773	18.1
803.31116	0.9
821.32361	1.4
844.16595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
65.03923	3.0
66.49693	1.2
67.05501	58.0
69.03413	4.4
69.07066	40.2
71.04975	4.7
71.08622	1.1
71.43813	1.8
79.05028	1.6
79.05488	50.5
81.03413	11.7
81.07053	77.9
83.04966	10.6
83.08614	11.4
85.02889	3.9
85.06532	3.4
87.04451	1.3
90.32417	1.0
91.05475	77.0
93.07038	56.9
94.07386	1.3
95.01326	8.7
95.04955	15.0
95.08602	37.6
97.02876	3.1
97.06527	29.5
97.10145	4.1
97.19887	1.0
99.08103	2.6
103.05473	2.1
104.19114	1.1
105.04491	1.8
105.07025	100.0
107.04955	19.1
107.07899	1.6
107.08593	26.0
109.06538	5.3
109.10150	11.5
111.04459	1.0
111.08059	3.2
113.06053	1.2
113.09626	2.1
115.05434	2.9
117.07009	25.1
119.08576	55.2
121.06482	3.5
121.10140	16.3
123.04407	2.8
123.08092	5.6
123.11674	2.1
125.09617	4.5
127.03910	1.4
128.06198	1.2
129.06992	6.4
130.07822	2.1
131.04956	1.5
131.08557	33.0
133.06531	1.7
133.10123	59.4
135.08022	3.9
135.11694	11.7
137.09595	3.2
139.07544	2.2
141.07019	3.0
142.07753	1.6
143.08534	8.1
145.06459	2.8
145.10109	27.0
147.11674	27.3
149.09612	12.1
149.13243	8.5
151.11151	1.9
155.08536	2.9
157.10130	7.3
159.11685	20.3
161.09601	2.1
161.13252	9.1
163.11156	7.9
163.14833	2.2
165.09125	3.1
169.10110	3.2
171.11713	6.1
173.04340	1.5
173.13226	8.3
175.11189	2.1
175.14815	4.3
177.12730	5.2
179.14285	20.2
183.11700	3.4
185.13275	4.8
187.11118	3.5
187.14772	2.0
193.12105	1.5
195.13863	3.3
197.13258	3.3
199.14923	1.9
205.12155	2.1
227.12675	1.4
239.17871	2.6
241.14400	1.3
241.19542	5.5
247.20561	1.9
251.85115	1.4
257.19003	11.3
259.20572	10.6
269.17499	12.0
275.20056	86.7
276.20343	2.3
277.21857	1.0
279.15778	2.0
291.19519	1.6
293.17847	1.7
293.21088	5.6
315.23154	3.8
331.22641	2.2
333.24191	19.5
349.23688	43.8
350.24045	2.2
543.36810	26.5
544.36841	1.4
597.37421	1.1
607.43524	32.9
623.43188	6.9
625.44214	4.1
644.00159	1.1
723.08038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64428	1.2
59.77298	1.6
65.03938	5.1
67.05502	82.2
69.03416	6.9
69.07069	27.4
69.20086	10.1
69.20503	4.4
71.04985	6.4
77.03906	1.5
79.05015	2.6
79.05489	69.1
81.03432	7.3
81.07051	87.0
83.04987	10.7
83.08612	10.9
85.02904	3.2
85.06535	6.1
88.95772	1.4
91.05475	100.0
92.05800	1.7
93.07039	73.2
95.04971	15.2
95.08604	43.9
97.02877	2.4
97.06521	9.6
97.10151	5.1
98.21543	3.1
99.04416	1.5
99.08063	4.1
103.05450	2.5
105.07024	94.0
106.07372	1.7
107.04958	8.1
107.07880	3.1
107.08590	57.2
109.06509	12.5
109.10152	60.3
111.04471	2.4
111.08061	4.2
113.05981	2.8
113.09670	1.6
114.60487	1.3
115.05456	2.4
117.07011	26.8
119.08576	55.6
121.06502	6.1
121.10136	19.2
123.08065	5.8
123.11707	9.6
125.09665	2.2
127.07522	3.2
128.06189	3.7
129.06999	14.0
130.07747	1.8
131.08568	27.8
133.06458	4.7
133.10126	94.3
135.08040	7.7
135.11668	17.9
137.09596	3.2
142.07767	2.8
143.08569	13.7
145.10123	31.1
147.08049	5.4
147.11684	32.3
149.09598	6.4
149.13232	6.3
151.11163	30.2
154.50952	1.4
155.08562	4.1
157.10120	16.1
159.08086	2.3
159.11697	16.1
161.09612	7.6
161.13235	20.3
163.11147	4.2
163.14751	1.9
165.12735	1.6
169.10126	5.6
169.12260	6.4
171.11685	14.9
173.09647	2.6
173.13284	11.2
175.11105	3.2
175.14781	6.4
177.12680	2.0
179.10640	1.6
179.14317	2.0
181.10150	3.2
183.11731	5.9
184.07239	2.3
185.09567	2.1
185.13268	10.8
187.11179	1.5
187.14838	5.1
189.12758	3.0
193.10193	1.4
195.11790	1.8
197.13228	4.8
199.11055	1.7
199.14833	6.3
203.14207	1.9
209.13303	2.5
211.14771	2.7
213.12807	1.4
213.16354	4.0
215.12682	2.7
215.14514	1.7
223.14784	2.5
225.16341	1.3
231.17390	1.6
231.21056	4.3
241.19473	17.0
242.19943	1.7
245.19057	3.3
253.14331	69.7
254.14658	2.3
255.17438	1.8
257.18985	4.7
259.20560	53.4
260.20972	1.6
263.20053	3.5
271.15353	1.9
273.18518	16.3
275.20001	4.1
277.21692	2.6
283.20563	2.0
287.20087	2.8
289.18253	1.4
291.19513	17.3
297.22266	2.0
313.21649	2.8
315.23145	7.3
333.24225	44.2
335.25613	1.7
347.22357	2.7
353.28445	1.6
365.23196	26.8
366.23572	1.6
391.29892	1.9
409.31241	4.3
437.30176	3.9
455.31580	4.9
494.39496	1.6
501.35513	5.7
511.34094	10.6
513.36664	2.5
523.10052	1.5
529.35333	16.8
531.37714	4.6
549.39063	2.6
605.41608	8.6
623.42993	39.3
624.43427	3.7
641.44000	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	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97567	1.4
60.58451	1.4
61.20160	1.8
65.03941	3.5
66.92840	1.6
67.05505	55.6
69.03420	4.4
69.07069	38.1
69.18625	18.4
71.04987	4.7
72.55327	1.4
79.05495	53.8
81.03422	11.1
81.07053	78.0
83.04972	9.9
83.08612	10.4
85.02896	3.0
85.06539	3.8
87.04472	4.1
91.05480	67.1
93.07043	53.1
93.07642	2.2
95.01321	8.5
95.04966	15.6
95.08603	37.8
97.02887	2.5
97.06529	29.9
97.10172	5.4
99.08114	1.9
105.07028	81.3
107.04961	18.8
107.08590	31.9
109.02838	2.0
109.06509	6.2
109.10146	12.8
111.08095	2.9
115.05453	2.2
117.07015	20.9
118.61159	1.6
119.08578	47.7
121.06482	4.6
121.10132	15.5
123.08073	5.1
123.11692	3.7
125.09618	5.8
129.07008	5.5
131.08565	29.0
133.06509	2.1
133.10121	46.2
135.08087	4.2
135.11700	14.8
137.09616	3.6
139.07579	1.5
141.07016	3.7
143.08572	5.5
144.09311	1.9
145.10115	24.0
147.08099	1.8
147.11699	20.3
149.09587	8.9
149.13213	8.7
151.11200	3.3
155.08524	2.4
157.10130	4.2
159.11684	13.6
161.09662	2.2
161.13264	9.8
163.11189	6.5
165.09113	2.7
169.10097	3.9
171.11723	6.2
173.04504	1.8
173.13283	6.0
175.11205	2.0
175.14793	2.9
177.12764	4.7
179.14304	14.2
183.11693	2.4
184.07343	4.0
185.13220	1.9
187.11247	3.0
187.14853	1.7
189.11208	2.9
195.13834	3.5
197.13356	2.6
199.14763	2.0
225.16333	1.4
227.12886	2.5
229.19353	2.7
239.17993	3.0
241.19458	2.4
250.87383	1.5
251.16498	3.4
253.14279	3.3
255.15962	5.9
257.18997	8.9
259.20523	6.7
269.17493	25.2
273.18561	3.7
275.20059	74.9
276.20612	1.8
277.21594	2.0
279.16034	2.1
291.19485	14.1
293.21240	3.2
333.24258	4.0
349.23730	36.4
365.23184	4.9
367.24820	3.0
368.51410	1.6
405.44205	1.6
413.21707	2.4
471.78918	1.5
525.36023	2.2
529.35315	22.6
543.36823	100.0
544.37402	2.8
605.41858	2.7
623.43018	29.7
624.42676	1.7
641.43872	6.4
685.16138	2.0
687.40863	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	838.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.9
60.05454	0.5
61.02923	7.4
64.56117	0.5
65.03896	1.9
67.05503	42.8
69.03423	3.6
69.07065	14.3
69.74486	2.9
71.01337	0.6
71.04993	5.3
71.08586	0.5
72.38953	0.4
73.02905	2.4
77.03905	0.6
79.05492	31.4
81.03416	40.4
81.07053	54.7
82.07375	0.5
83.04982	12.5
83.08617	22.2
85.02902	19.5
85.06537	3.2
91.03958	5.6
91.05479	26.0
93.07041	41.3
95.04963	20.0
95.08603	14.6
97.02893	6.2
97.06532	7.7
97.10180	3.9
99.04441	1.0
99.08102	2.5
103.05483	0.5
104.19219	0.5
105.04496	0.9
105.07027	13.6
107.04956	4.2
107.08588	21.8
108.08893	0.5
109.02845	0.7
109.06516	4.0
109.10146	3.7
111.04404	2.0
111.08073	9.1
111.11668	1.0
113.05975	1.9
113.09615	1.3
115.05424	1.5
117.07013	5.6
118.34440	0.5
119.08578	14.0
121.06477	1.4
121.10143	16.8
123.08060	1.8
123.11694	2.6
125.09583	1.7
126.33524	0.5
127.03884	1.8
129.07004	6.7
131.07610	0.7
131.08562	13.0
133.06422	1.6
133.10133	10.9
135.08026	1.2
135.10887	0.4
135.11711	5.5
137.09566	1.5
139.11171	1.1
142.07718	2.0
145.04930	1.8
145.06444	0.7
145.10089	1.1
147.08018	2.2
147.11693	8.9
149.09624	5.0
149.13252	18.2
151.11226	0.7
157.08820	0.6
157.10132	9.4
159.11678	7.7
163.06027	1.2
163.11201	0.6
165.12738	2.2
175.09773	0.8
175.11194	9.3
177.12717	3.2
193.12241	22.3
195.13762	5.4
211.13283	25.7
213.14847	0.8
227.12726	0.5
249.14825	0.9
267.15900	17.5
268.77621	0.4
269.17465	65.2
270.17804	1.7
285.16965	21.1
313.06689	0.6
435.27386	2.0
443.27921	1.0
461.28983	40.2
462.29416	1.5
479.30029	100.0
480.29904	2.9
623.34290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.4
65.03932	2.6
67.05503	60.0
69.03432	10.5
69.07069	38.0
71.04982	3.4
75.82011	1.1
77.03908	2.2
79.05492	66.5
80.05828	1.5
81.03416	10.3
81.07056	59.7
83.04988	8.1
83.08613	19.3
85.02916	1.6
85.06548	3.4
86.09707	2.7
87.04454	1.2
91.05477	71.7
93.07041	61.4
93.07647	2.0
94.04240	1.7
95.04958	15.4
95.08604	40.8
97.02895	9.8
97.06527	7.7
97.10165	20.4
99.08112	1.4
103.05453	3.6
105.03381	1.9
105.04539	1.5
105.07024	70.3
107.04950	11.2
107.08588	42.2
109.06519	5.0
109.09470	1.9
109.10144	17.7
111.08056	4.8
115.05453	3.0
116.06211	2.0
117.07005	27.1
119.04942	1.8
119.07713	2.8
119.08571	55.4
121.06490	3.9
121.10130	19.3
123.08061	4.7
123.11694	4.9
125.00032	2.1
125.09634	13.8
128.06250	4.1
129.05515	1.6
129.07008	18.2
130.07793	2.2
130.86119	1.3
131.08559	31.6
133.06479	2.7
133.10127	38.5
134.07275	1.9
135.08051	7.2
135.11693	13.5
137.09602	4.6
139.11153	1.5
141.06950	2.8
142.07768	4.1
143.08568	15.6
145.06537	1.5
145.10124	26.7
147.08038	6.2
147.11678	29.6
149.09639	3.7
149.13251	7.5
151.11256	2.4
153.09038	2.4
155.08519	7.4
157.10107	12.4
159.08089	2.5
159.11691	20.4
159.12915	1.2
161.09625	5.3
161.13242	22.0
162.10445	2.6
163.11174	2.8
163.14847	2.1
165.09100	1.5
167.08562	3.3
169.10104	5.7
171.10266	1.7
171.11662	17.1
173.09581	1.5
173.11819	2.4
173.13214	12.0
175.11176	2.5
175.14832	8.2
177.12773	2.1
179.14314	2.0
181.10075	4.4
183.11691	6.4
184.07318	8.5
185.13220	12.5
187.14789	5.6
189.11241	7.7
189.12695	2.0
193.12253	1.5
195.11752	3.2
195.13841	2.2
197.13249	5.1
199.11273	1.5
199.14786	4.8
201.12761	1.6
201.16513	1.9
203.14407	1.7
205.12170	1.6
207.11880	1.5
209.13235	2.1
211.14848	3.3
213.16379	3.6
223.13240	20.1
223.15102	1.5
225.16415	1.6
227.12735	11.4
227.17746	2.2
231.17444	2.1
231.21114	4.4
237.16219	2.3
239.17934	2.7
241.19525	24.0
245.18956	1.4
249.14908	2.6
251.18066	1.4
253.19611	1.7
255.17511	1.6
257.19006	3.4
259.20566	46.5
260.20834	1.5
261.18759	1.7
265.19476	1.6
273.18536	10.9
275.20105	7.8
291.19531	100.0
292.19888	3.6
297.22076	2.5
315.23145	10.2
315.26508	2.0
333.24231	56.0
334.24603	2.5
349.23932	2.1
363.26505	1.4
365.23178	40.1
379.29944	5.2
433.30847	2.0
451.31924	1.4
525.35559	9.8
529.35193	3.1
531.38000	2.7
541.35254	1.9
543.36511	9.8
549.39203	2.2
605.42188	6.1
623.42981	49.4
624.42828	4.6
641.44360	6.1
656.18188	1.3
820.47760	1.5
821.04510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26228	0.9
61.02926	9.0
64.00606	0.7
67.05502	23.1
69.03429	5.6
69.07076	5.0
71.04992	4.1
73.02892	2.6
79.05494	19.6
81.03415	77.9
81.07050	25.1
81.07520	1.4
83.04973	8.8
83.08160	1.3
83.08618	20.3
85.02901	19.4
85.06535	1.8
87.21360	0.8
88.51138	0.7
91.03957	7.7
91.05478	25.8
93.07038	17.5
95.04964	25.4
95.08604	9.0
97.02899	8.2
97.06504	2.9
97.10165	4.7
98.21497	1.3
99.08026	0.9
105.07029	19.9
107.04396	0.8
107.04974	7.8
107.08578	11.3
109.02894	1.3
109.06503	5.5
109.10143	5.6
111.04430	3.1
111.08083	7.4
113.05988	1.4
115.04012	1.1
115.05408	1.2
117.07011	4.4
117.13206	0.9
119.07717	1.0
119.08575	17.4
121.06482	3.8
121.10136	8.5
123.04415	1.8
123.08057	3.1
123.11707	1.7
125.09620	3.3
127.03910	2.9
129.07005	11.8
131.04852	1.4
131.08553	11.6
133.06464	3.4
133.10103	9.9
135.11662	3.1
137.05943	1.4
137.09605	1.7
142.07753	2.2
143.08580	1.3
145.04933	2.5
145.06450	3.6
145.10100	3.2
147.08012	5.3
147.11671	9.6
149.09630	4.7
151.11188	1.3
155.08502	1.0
157.10147	12.4
159.08011	1.2
159.11667	1.2
161.09581	1.3
163.05984	3.8
163.11185	3.8
165.12743	2.8
171.08066	1.7
171.11678	1.4
173.09668	1.1
173.13298	0.9
175.11177	10.1
176.11505	0.8
189.11162	1.1
193.12239	30.8
195.13841	1.7
211.11317	1.8
211.13275	15.9
212.13690	1.2
213.12775	1.7
227.12701	1.7
229.14339	2.2
231.13892	0.9
233.15308	0.9
235.13155	1.3
249.14836	2.2
253.14215	4.1
255.13670	1.9
267.15903	100.0
268.16220	2.9
269.17429	4.4
273.14880	3.9
283.15427	7.1
285.16968	15.8
301.14102	1.3
309.16971	2.0
349.21637	2.7
367.22653	8.9
385.23584	9.4
403.24835	2.5
405.23727	1.2
411.24884	1.0
415.24490	1.5
433.25818	15.0
441.26346	5.6
459.27402	61.9
460.27417	3.5
477.28464	66.0
478.28641	3.7
501.28375	1.9
519.29333	2.6
559.10834	0.9
585.30145	1.2
603.31525	1.2
621.32007	1.8
820.06299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	0.6
61.02927	7.4
61.24136	0.6
65.03934	1.1
67.05504	38.8
69.03423	4.7
69.07066	13.4
69.63398	0.6
71.01344	1.0
71.04984	5.9
71.25343	1.4
71.25685	0.8
73.02905	2.5
79.05489	30.0
81.02709	0.8
81.03416	48.9
81.07051	51.1
83.04978	12.9
83.08616	24.0
85.02374	0.9
85.02901	22.5
85.06561	3.2
91.03959	5.2
91.05478	28.2
91.39027	0.6
93.07041	38.5
94.07339	0.7
95.04965	19.2
95.08601	13.3
97.02893	6.2
97.06519	7.0
97.10170	3.4
99.04456	1.1
99.08072	2.4
105.04578	0.8
105.07027	15.7
107.04951	3.7
107.07880	1.3
107.08595	20.6
109.06525	4.8
109.10158	3.4
111.04438	1.5
111.08076	12.7
113.06046	1.5
115.05481	0.9
117.07008	6.1
119.04922	1.0
119.08575	13.5
121.06500	2.2
121.10137	14.6
123.08066	1.7
123.11700	1.8
124.01036	0.7
125.09631	2.0
127.03925	2.0
129.06982	6.7
131.08569	12.8
133.06520	0.9
133.10118	11.7
135.08073	1.2
135.11687	5.2
137.09630	1.4
139.11182	1.4
142.07791	1.8
145.04967	1.5
145.10129	1.6
147.08069	2.4
147.11673	10.9
149.09610	5.4
149.13251	18.8
151.11131	0.9
157.10121	10.8
159.11684	6.7
163.06006	1.8
163.11101	1.0
165.12775	2.2
175.11179	11.4
177.12762	2.4
193.12247	29.4
195.13786	6.5
206.64139	0.6
211.13289	37.1
212.13698	0.8
213.14926	0.7
249.14906	1.4
267.13016	1.2
267.15924	34.3
269.17462	57.6
270.17908	1.7
285.16946	29.8
292.55988	0.6
387.24982	0.9
399.06677	0.7
435.27548	2.4
443.27917	1.6
461.28955	72.6
462.29300	2.4
479.30032	100.0
480.30255	3.0
499.07944	0.6
623.33978	2.5
627.41321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26228	0.9
61.02926	9.0
64.00606	0.7
67.05502	23.1
69.03429	5.6
69.07076	5.0
71.04992	4.1
73.02892	2.6
79.05494	19.6
81.03415	77.9
81.07050	25.1
81.07520	1.4
83.04973	8.8
83.08160	1.3
83.08618	20.3
85.02901	19.4
85.06535	1.8
87.21360	0.8
88.51138	0.7
91.03957	7.7
91.05478	25.8
93.07038	17.5
95.04964	25.4
95.08604	9.0
97.02899	8.2
97.06504	2.9
97.10165	4.7
98.21497	1.3
99.08026	0.9
105.07029	19.9
107.04396	0.8
107.04974	7.8
107.08578	11.3
109.02894	1.3
109.06503	5.5
109.10143	5.6
111.04430	3.1
111.08083	7.4
113.05988	1.4
115.04012	1.1
115.05408	1.2
117.07011	4.4
117.13206	0.9
119.07717	1.0
119.08575	17.4
121.06482	3.8
121.10136	8.5
123.04415	1.8
123.08057	3.1
123.11707	1.7
125.09620	3.3
127.03910	2.9
129.07005	11.8
131.04852	1.4
131.08553	11.6
133.06464	3.4
133.10103	9.9
135.11662	3.1
137.05943	1.4
137.09605	1.7
142.07753	2.2
143.08580	1.3
145.04933	2.5
145.06450	3.6
145.10100	3.2
147.08012	5.3
147.11671	9.6
149.09630	4.7
151.11188	1.3
155.08502	1.0
157.10147	12.4
159.08011	1.2
159.11667	1.2
161.09581	1.3
163.05984	3.8
163.11185	3.8
165.12743	2.8
171.08066	1.7
171.11678	1.4
173.09668	1.1
173.13298	0.9
175.11177	10.1
176.11505	0.8
189.11162	1.1
193.12239	30.8
195.13841	1.7
211.11317	1.8
211.13275	15.9
212.13690	1.2
213.12775	1.7
227.12701	1.7
229.14339	2.2
231.13892	0.9
233.15308	0.9
235.13155	1.3
249.14836	2.2
253.14215	4.1
255.13670	1.9
267.15903	100.0
268.16220	2.9
269.17429	4.4
273.14880	3.9
283.15427	7.1
285.16968	15.8
301.14102	1.3
309.16971	2.0
349.21637	2.7
367.22653	8.9
385.23584	9.4
403.24835	2.5
405.23727	1.2
411.24884	1.0
415.24490	1.5
433.25818	15.0
441.26346	5.6
459.27402	61.9
460.27417	3.5
477.28464	66.0
478.28641	3.7
501.28375	1.9
519.29333	2.6
559.10834	0.9
585.30145	1.2
603.31525	1.2
621.32007	1.8
820.06299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06629	0.5
59.07382	0.2
60.08159	5.6
63.00720	0.1
67.05502	0.2
70.06596	0.1
71.07371	3.2
79.05480	0.2
80.97419	0.1
81.03415	0.1
81.07034	0.2
83.08656	0.1
85.02914	0.1
86.09701	28.7
87.10020	0.3
91.05498	0.1
93.07020	0.2
95.08583	0.2
98.21552	0.2
98.98457	3.0
104.10732	2.1
105.07045	0.1
114.06655	0.1
116.99524	0.1
119.08646	0.1
121.10169	0.1
124.99994	19.1
126.60662	0.1
135.47363	0.1
143.01021	0.3
166.02650	0.2
184.07329	100.0
185.07700	0.9
186.07884	0.1
280.95447	0.1
283.73871	0.1
319.20352	0.1
518.32416	0.2
696.45355	0.1
724.45361	1.5
725.45453	0.1
778.53723	1.9
794.52655	0.3
830.51080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06359	0.2
58.06627	0.4
60.08160	6.9
60.64574	0.1
61.08469	0.1
67.05504	0.3
69.44099	0.3
69.44513	0.8
70.06594	0.1
71.07368	4.0
71.07763	0.2
79.05470	0.3
81.07034	0.2
85.65914	0.1
86.09702	32.9
87.04442	0.1
87.10028	0.3
89.06048	0.2
91.05501	0.2
93.07040	0.3
95.08583	0.2
98.98460	3.7
104.10738	3.1
105.07021	0.2
124.99996	21.6
128.65361	0.1
131.08569	0.1
143.01038	0.4
166.02731	0.2
184.07333	100.0
185.07707	0.6
227.20053	2.2
712.45966	1.1
776.52087	0.1
794.53223	0.9
812.54224	3.5
830.54449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56385	3.2
65.03929	7.0
67.05502	100.0
69.03426	20.8
69.07060	28.4
70.60343	10.0
71.01345	5.7
71.04981	8.8
79.05019	4.7
79.05491	83.5
80.05769	3.2
81.03425	52.4
81.07053	82.6
83.04986	23.7
83.08591	16.5
85.02919	15.6
85.06538	7.5
85.72613	3.1
89.11325	3.3
91.05476	84.8
91.06031	5.5
93.07042	73.0
95.04963	64.9
95.08600	46.9
97.02888	19.7
97.06521	24.5
97.10172	10.4
99.04469	6.3
103.05503	4.1
105.04541	4.3
105.07026	55.0
107.04946	48.8
107.08587	35.2
109.02895	7.4
109.06509	27.9
109.10145	27.3
111.04449	12.6
111.08072	10.8
113.06011	9.6
115.05476	5.8
116.06231	3.4
117.07020	32.0
119.04981	7.8
119.08581	44.3
121.06487	18.1
121.10180	21.1
122.07238	8.6
123.04421	9.1
123.08070	9.5
123.11732	7.2
125.09623	9.3
127.03936	7.5
128.06186	8.4
129.05498	5.3
129.07002	16.2
131.08572	42.3
133.06519	16.7
133.10101	26.6
135.08038	18.3
135.11694	16.9
137.09608	6.8
139.03847	4.9
141.07019	8.3
143.08562	16.1
145.06509	9.6
145.10130	25.0
146.10635	3.1
147.08060	26.9
147.11696	14.8
149.09630	20.2
149.13252	11.8
151.07512	4.8
151.11147	4.9
153.09132	3.8
155.08585	8.6
156.09132	3.0
157.06485	3.3
157.10127	10.3
159.08136	7.6
159.11659	18.8
161.09625	17.0
161.13316	6.8
163.11200	13.7
165.09175	3.1
169.10138	5.9
171.11673	8.5
173.04439	9.8
173.09685	5.4
173.13297	8.5
175.11191	8.5
177.12750	8.2
183.11707	6.2
184.07336	3.6
185.13243	10.3
187.11163	9.4
189.12744	5.8
195.11655	5.0
195.13651	5.3
197.13292	6.1
215.14334	4.2
217.15843	6.7
227.12756	8.8
229.14362	6.8
233.15369	7.7
239.18002	4.0
241.14404	5.4
241.54416	3.7
249.14868	7.4
257.18948	4.4
269.17462	9.8
273.18430	21.4
275.20117	30.3
279.15924	6.9
289.17963	12.0
290.18860	5.5
291.19522	32.9
293.20825	4.3
307.19073	6.6
323.18628	7.1
335.18542	6.2
347.22256	7.5
349.23615	13.9
365.23129	5.6
381.22794	21.7
413.21469	4.8
517.31531	4.4
529.31812	4.0
567.33435	3.1
575.35632	17.2
597.38263	4.3
621.40649	4.7
637.40643	4.1
640.95801	3.5
655.41693	13.6
716.72809	3.9
719.39807	9.3
835.50397	23.9
836.49573	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99412	0.3
60.08147	0.4
60.89954	0.3
61.02929	5.9
65.03938	0.3
65.57501	0.3
65.74800	0.3
66.40174	0.4
67.05500	5.2
69.03432	3.1
69.07074	1.8
71.01373	0.4
71.05004	0.5
71.08650	0.3
73.02906	4.4
75.04447	0.4
79.05489	5.8
81.03411	1.6
81.07059	5.4
83.04985	0.4
83.08607	0.7
85.02905	4.3
85.37258	0.4
86.09705	1.4
91.03958	3.4
91.05481	5.8
93.07037	7.0
95.04975	1.2
95.08609	3.5
97.02898	4.8
97.06534	0.6
99.04471	1.0
101.02371	1.7
103.03956	0.6
105.07029	4.0
107.08589	3.7
109.02861	0.5
109.06592	0.6
109.10145	0.7
115.03916	0.6
117.07030	1.5
119.08579	3.4
121.10127	2.1
123.08092	0.4
125.00047	0.9
127.03106	0.3
127.03874	1.8
129.05510	0.5
129.06993	0.8
131.08594	1.5
133.10107	3.0
135.11641	1.7
143.08578	1.0
145.04938	0.4
145.10156	0.9
147.11703	2.0
149.09631	0.4
149.13234	0.6
157.10229	0.3
159.11710	0.6
161.13266	0.6
171.11720	0.6
173.13307	0.8
175.14883	0.4
175.19788	0.4
184.07343	5.5
185.04260	1.8
185.07826	0.4
189.05678	0.4
201.03796	0.6
203.05280	0.5
229.18990	0.3
243.08344	4.0
259.20636	1.0
283.83426	0.3
299.20105	0.4
301.08969	2.1
313.09113	0.6
313.27463	0.5
315.10422	0.8
317.20929	1.5
327.10516	0.5
357.23914	0.5
371.16824	0.5
373.11017	0.7
383.16782	0.5
385.18265	0.8
397.18378	0.8
403.61725	0.4
429.17218	0.5
437.21432	0.5
465.20917	2.1
495.22296	0.6
525.23334	1.7
535.28772	17.2
536.29504	0.5
564.13367	0.4
607.31055	1.9
691.40204	0.5
759.42072	0.6
829.50635	100.0
830.50885	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	828.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06331	0.2
58.06629	0.5
59.07380	0.1
59.58079	0.1
60.08159	6.7
67.05500	0.2
70.06574	0.2
71.07365	3.7
71.07761	0.2
79.05494	0.3
81.03445	0.1
81.07039	0.3
83.08601	0.2
86.09699	30.7
87.09444	0.1
87.10019	0.4
88.53901	0.1
91.05482	0.3
93.07011	0.4
95.04929	0.2
95.08606	0.2
97.06501	0.1
98.98455	3.8
104.10735	3.2
105.07037	0.1
105.56893	0.1
107.08610	0.2
109.10149	0.1
116.99467	0.1
119.08577	0.2
124.99992	21.3
126.00356	0.2
129.77365	0.1
133.10071	0.1
135.11600	0.1
143.01027	0.4
145.10100	0.2
166.02605	0.3
176.14209	0.1
184.07326	100.0
185.07660	1.3
188.86002	0.1
203.86725	0.1
389.59543	0.1
710.42938	0.5
712.44531	0.2
792.51776	1.1
810.52679	2.6
811.52637	0.2
828.51971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06621	0.4
60.08161	6.0
67.05499	0.3
69.05837	0.1
69.37774	0.4
69.38201	0.3
70.06583	0.2
71.07369	3.4
79.05488	0.2
80.97443	0.1
81.07033	0.2
83.04980	0.1
83.66094	0.1
86.09701	30.6
87.10036	0.3
91.05475	0.2
93.07030	0.2
95.08612	0.1
98.20676	0.1
98.98455	3.4
104.10734	2.4
105.07018	0.1
112.54205	0.1
117.06996	0.1
119.08588	0.1
124.99993	20.8
125.14497	0.1
126.00329	0.1
131.08580	0.1
143.01038	0.3
161.38948	0.1
163.01523	0.1
166.02686	0.2
172.34846	0.1
184.07329	100.0
185.07695	1.1
364.13013	0.1
458.69287	0.1
722.44006	0.6
724.45313	1.3
776.40045	0.1
776.52100	1.2
792.50616	0.3
810.52130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06625	0.5
59.07388	0.2
60.08162	6.0
65.42774	0.2
67.05496	0.4
71.07366	3.4
71.51188	0.2
71.91579	0.2
79.05494	0.3
81.07044	0.5
83.08616	0.2
84.04507	0.3
86.09702	30.6
87.10029	0.3
91.05466	0.2
93.07061	0.4
95.08596	0.4
97.02900	0.2
98.95464	0.2
98.98447	3.0
104.10737	2.7
105.07014	0.4
107.08607	0.2
109.10141	0.2
124.99995	19.8
135.11635	0.2
143.01019	0.4
145.10168	0.2
166.02654	0.2
184.07330	100.0
185.07623	1.2
211.13489	0.2
219.66307	0.2
313.27539	0.2
467.37000	0.2
710.44110	0.2
738.43256	0.9
740.45209	1.9
792.52124	1.9
793.51416	0.3
808.50323	0.5
826.51135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.9
67.05502	6.1
69.03433	2.6
69.07070	2.5
71.43006	1.0
73.02926	3.3
79.05489	3.6
81.03423	2.2
81.07059	4.8
83.08619	0.6
85.02891	3.8
86.09711	1.9
87.04521	0.6
91.03960	3.0
91.05472	4.9
93.07041	5.7
95.04969	1.2
95.08607	3.4
97.02901	4.8
97.06560	0.5
97.10174	0.5
99.04423	0.7
101.02390	1.9
103.04002	0.6
103.05573	0.6
105.07043	4.9
107.04974	0.9
107.08617	2.2
109.02850	0.5
109.06534	0.5
109.10172	1.5
117.07034	1.5
119.08582	3.1
121.10129	1.1
123.11694	0.7
125.00022	1.4
127.03929	1.5
131.08559	0.9
133.10138	3.0
135.11699	1.4
145.10127	1.3
147.11736	1.6
149.09622	0.6
158.31526	0.5
159.11722	1.0
163.11168	0.9
170.21069	0.5
184.07332	6.8
185.04166	0.8
190.33539	0.6
229.14468	0.9
243.08444	4.3
274.01685	0.5
275.20090	0.9
301.08963	1.0
313.27487	1.1
314.27838	0.7
315.19379	3.7
371.22125	1.2
453.41605	0.7
465.21130	0.9
468.37576	1.4
495.21555	0.7
533.27246	10.2
535.28735	7.1
605.29376	1.6
675.35822	0.6
726.17291	0.7
759.23242	0.6
827.49103	100.0
828.49500	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	826.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06626	0.4
59.07383	0.2
60.08161	6.4
67.05502	0.2
70.02950	0.1
70.06593	0.2
71.07368	3.4
71.07764	0.2
71.51496	0.1
71.51916	0.1
79.05478	0.3
81.07051	0.2
83.04967	0.1
86.09701	32.0
87.10026	0.3
91.05475	0.2
93.07022	0.2
95.08620	0.1
98.98459	3.5
104.10738	2.9
105.07007	0.1
107.08598	0.1
119.08559	0.2
124.99995	21.7
126.00372	0.1
131.08536	0.1
133.10023	0.1
139.35748	0.1
143.01033	0.3
145.10146	0.1
166.02672	0.1
174.26968	0.1
184.07330	100.0
185.07683	0.9
186.07819	0.1
188.51028	0.1
192.52293	0.1
235.36475	0.1
299.96518	0.1
508.33978	0.1
517.13770	0.1
607.09277	0.1
696.41766	0.1
710.43878	1.1
772.49139	0.2
790.50208	0.6
808.51105	2.3
809.50134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06628	0.5
59.07403	0.1
60.08161	6.2
66.20750	0.1
67.05496	0.4
70.06564	0.1
71.07367	3.6
71.51965	0.1
71.52382	0.2
79.05480	0.2
81.07056	0.4
81.74205	0.1
86.09700	31.6
87.10035	0.2
91.05471	0.2
93.07040	0.4
94.37781	0.1
95.08643	0.1
98.97799	0.1
98.98450	3.0
104.10732	3.1
104.11431	0.2
105.07027	0.4
117.06999	0.1
119.08547	0.1
121.10147	0.1
124.99993	21.2
131.08543	0.1
133.10110	0.1
134.42085	0.1
143.01054	0.3
156.16751	0.1
166.02692	0.2
184.07329	100.0
185.07683	0.7
251.70525	0.1
281.39209	0.1
456.45145	0.1
516.30798	0.2
584.65881	0.1
669.11963	0.1
696.41632	0.1
710.43567	0.8
744.62122	0.1
790.49847	0.9
808.51025	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	826.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06311	0.2
58.06631	0.5
59.07387	0.1
60.08161	6.0
61.23100	0.1
66.23572	0.1
67.05499	0.2
67.22668	0.1
69.07047	0.1
69.39176	0.2
69.39572	0.6
71.07369	3.3
73.78156	0.1
76.76053	0.1
79.05481	0.1
80.97409	0.1
81.07068	0.2
86.09702	29.8
87.10027	0.2
91.05486	0.3
93.07024	0.2
95.08640	0.1
98.98461	3.1
104.10738	2.5
105.07050	0.2
107.46621	0.1
109.10101	0.1
116.99449	0.1
119.08569	0.1
124.99996	20.5
133.10089	0.1
136.72992	0.1
143.01024	0.4
148.55139	0.1
166.02660	0.2
184.07332	100.0
185.07681	0.6
252.13675	0.1
337.11636	0.1
490.79117	0.1
516.30463	0.1
722.43872	2.0
723.45184	0.1
774.37079	0.1
774.50555	1.2
790.49146	0.2
808.51465	0.5
809.50287	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	826.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	2.4
60.08165	1.4
61.02929	9.9
65.03925	1.0
67.05502	61.4
68.05840	0.9
69.03422	1.5
69.07057	4.3
71.04989	2.6
71.07365	0.9
71.08256	1.0
71.08630	17.6
73.02923	4.0
79.05479	2.6
80.62962	0.8
81.07055	15.7
83.08619	8.1
85.02902	11.0
85.06512	2.1
85.10179	8.9
86.09705	7.9
89.43777	0.7
91.03957	8.4
91.05487	5.1
93.07031	3.7
95.08602	15.2
97.02878	6.2
97.10140	2.6
99.04462	1.1
107.08575	2.1
109.10149	65.4
111.08059	2.5
111.11719	0.9
119.08559	4.5
123.11687	1.6
124.99978	4.1
127.03909	3.4
133.69432	0.8
137.09564	3.4
145.04984	3.9
155.10643	2.9
158.62982	0.8
163.06015	5.2
171.17178	0.8
173.11732	20.6
173.13193	1.9
184.07332	23.7
229.14336	100.0
230.14680	1.8
239.23624	1.6
247.30473	0.9
257.24792	0.8
313.27350	78.1
314.27701	2.3
429.09674	0.8
467.37311	67.0
468.37622	3.0
720.33466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	7.1
65.03928	5.8
67.05506	92.8
68.82247	1.4
69.03420	6.6
69.07066	34.9
70.95750	4.1
71.01299	1.4
71.04988	5.9
71.08620	3.3
71.33749	1.5
73.02889	3.1
73.14240	1.4
74.57721	1.4
78.88532	1.8
79.05492	75.1
81.03416	10.2
81.07057	100.0
82.07386	2.2
83.04995	8.1
83.08618	12.4
85.02912	11.3
85.06556	2.1
86.09676	1.5
91.03957	3.4
91.05482	65.9
93.07042	89.4
95.04975	13.9
95.08607	74.1
97.02886	8.5
97.06517	10.0
97.10163	3.2
98.09684	2.3
99.04442	1.9
99.08094	4.8
103.05464	1.8
105.04523	2.0
105.07029	50.2
106.07330	2.1
107.04963	3.6
107.08588	43.8
109.06519	5.8
109.10150	24.3
111.04440	3.2
111.08095	3.6
115.05460	2.1
117.07014	19.3
119.08582	43.0
121.06512	3.5
121.10148	29.9
123.08080	4.3
123.11700	6.5
127.03935	4.2
128.06216	1.9
129.05493	3.6
129.06999	6.7
130.07806	1.6
131.08560	26.6
133.06483	1.9
133.10133	36.5
135.08073	2.7
135.11678	23.8
135.12602	2.2
142.07785	1.7
143.08543	10.0
145.04938	1.7
145.10129	24.8
147.08052	1.8
147.11687	25.2
149.09595	8.2
149.13255	14.8
151.11121	3.1
155.08557	1.7
157.10138	7.1
159.11688	18.8
161.09665	1.8
161.13246	15.3
163.11189	5.1
163.14771	3.3
169.10133	3.8
171.10284	1.6
171.11671	9.2
173.13277	11.0
175.14835	5.0
177.12778	3.6
183.11761	2.8
184.07219	3.6
185.13252	4.5
187.14854	5.7
195.13829	3.7
197.13191	2.2
199.14861	6.4
201.16467	2.0
211.14822	2.4
227.12822	1.7
239.17877	3.4
241.19534	6.9
243.21133	5.6
257.19049	6.0
259.20599	24.9
261.22107	8.6
269.17422	7.4
275.20078	10.4
293.20975	1.7
315.23145	2.4
333.24283	19.9
335.25775	70.9
336.26181	3.3
349.23825	7.1
489.35852	2.0
519.41766	2.2
529.38885	35.1
575.82843	2.3
593.45782	1.7
609.45398	3.2
611.46753	20.5
627.45703	2.1
640.02930	1.8
811.53418	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06399	1.1
61.02923	2.1
65.03928	6.1
67.05504	89.6
69.03432	9.5
69.07063	31.2
71.04974	4.6
71.08603	1.2
71.52473	0.9
71.53060	1.2
73.02903	2.4
79.05491	64.4
81.03420	10.8
81.07053	100.0
83.04978	9.8
83.08618	15.1
85.02892	4.9
85.03384	1.0
85.06519	3.9
91.05475	42.5
93.07040	77.3
94.07383	1.6
95.04971	11.6
95.08607	56.3
97.02866	3.4
97.06532	14.9
97.10177	6.6
99.04438	3.1
99.08070	4.4
103.05427	1.8
105.04529	1.3
105.07026	35.5
107.04948	6.7
107.08592	42.3
108.08909	1.1
109.06497	5.9
109.10155	20.7
111.08070	4.4
115.05441	2.5
117.06997	17.4
119.08577	26.2
121.06512	3.9
121.10140	30.0
122.34231	1.1
123.08049	5.3
123.11720	6.9
125.09615	4.1
127.03883	3.9
128.06210	1.2
129.06990	6.4
131.08565	23.1
133.06464	1.5
133.10123	27.1
135.08025	3.6
135.11685	24.0
137.09581	3.7
137.13254	1.6
137.15805	1.0
141.06978	2.0
142.07729	1.7
143.08559	5.9
145.10121	18.1
147.07961	2.0
147.11667	10.5
149.09627	9.8
149.13252	15.5
151.11160	2.4
155.08626	1.3
157.10121	4.9
159.11708	14.4
161.09576	1.3
161.13232	7.5
163.11172	7.6
163.14772	4.6
165.12775	2.3
169.10117	3.3
171.11652	3.0
173.13254	7.9
175.03835	1.0
175.11040	1.2
175.14830	2.2
177.12709	2.8
181.12157	1.5
183.11635	3.1
184.07291	4.1
185.13297	2.0
187.11226	1.5
187.14812	3.1
195.11864	1.5
195.13771	6.4
197.13365	1.9
199.14824	2.7
201.16518	1.4
227.12729	2.4
229.19522	1.8
239.18025	2.7
243.12343	1.4
243.20982	3.2
247.20517	1.6
251.16426	1.3
253.13969	1.2
255.15919	10.2
257.19046	5.8
259.20486	3.1
261.22095	11.4
267.16031	2.2
269.17471	30.9
275.20074	23.4
293.17752	1.3
293.20801	2.1
317.24872	2.6
331.22662	1.5
333.24210	1.6
335.25790	79.6
336.26028	2.6
349.19785	1.9
349.23721	19.9
367.24860	4.4
371.09152	1.2
387.48239	1.1
395.20117	1.5
413.21597	1.8
442.36151	1.4
455.34680	1.4
513.06860	1.1
515.30353	1.7
515.37347	17.0
529.38879	65.6
530.39069	4.9
569.41559	3.1
609.45093	19.2
627.46039	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	5.9
67.05499	54.6
69.07065	22.0
71.08621	23.0
79.05492	50.5
81.03403	5.3
81.07053	60.3
83.04953	7.2
83.08607	12.0
83.91511	4.7
84.04485	5.3
86.09697	24.6
88.57527	4.9
91.05481	40.2
93.07037	74.1
95.04971	11.4
95.08598	39.4
97.06520	8.4
99.08073	16.4
105.07033	52.0
107.04962	5.6
107.08587	31.1
109.06474	6.9
109.10145	14.9
117.07001	15.3
119.08575	32.7
121.10152	32.6
123.86229	4.5
124.99991	21.2
129.06964	6.2
131.08574	17.0
133.10158	31.9
135.11687	26.5
145.10120	14.1
147.11687	15.4
149.13277	8.4
151.11206	5.4
157.10092	5.5
159.11644	5.7
161.13286	24.2
167.10622	4.4
172.13905	3.9
173.13228	8.2
175.14684	5.4
179.14301	57.2
184.07326	100.0
205.10384	4.4
229.58461	4.4
241.19530	16.1
259.20633	27.3
275.19928	6.9
277.21582	43.4
297.68573	4.6
315.22922	8.3
333.24197	56.3
335.25729	8.1
347.72708	4.4
351.25336	37.3
598.42493	4.3
609.45062	99.5
610.44885	7.4
627.45868	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41740	2.5
67.05189	4.4
67.05507	53.7
69.07064	16.7
71.05001	3.3
71.75384	2.6
76.28876	2.3
79.05492	47.8
81.07052	51.1
83.08599	8.0
84.04512	3.8
85.02890	4.8
91.05473	47.4
93.07040	48.2
93.13722	2.2
95.04952	6.6
95.08597	33.7
97.06514	5.1
97.10148	5.3
98.20761	7.2
105.07029	48.4
107.08588	22.5
109.06538	3.4
109.10136	17.0
115.05447	3.9
117.06992	21.8
119.08578	36.9
121.10129	20.5
123.11683	2.9
129.06987	21.8
130.07809	3.3
131.08562	28.2
133.10123	22.4
135.11702	10.1
141.06950	5.6
142.07799	3.7
143.08525	17.9
145.10135	28.8
147.11678	18.1
149.13252	6.7
155.08559	10.6
157.10130	22.7
159.11693	21.0
161.13278	10.2
163.14842	3.7
167.08473	3.9
169.10120	14.4
171.11705	15.8
173.13237	9.4
175.14793	3.9
177.09184	2.5
181.10153	5.3
183.11646	15.4
184.07350	10.5
185.13222	9.0
187.14781	5.9
189.16553	2.9
193.10225	3.5
195.11708	8.6
197.13219	11.7
199.14798	8.2
201.16226	2.6
209.13235	7.1
225.16397	4.8
237.16400	6.0
241.19667	4.4
251.17897	3.2
257.19034	3.9
259.20444	5.6
333.24344	7.0
335.25827	4.6
377.99133	3.2
399.10190	2.5
443.27795	2.7
501.35349	3.6
517.40448	14.8
535.41107	6.6
539.37128	4.8
591.44226	5.2
606.60211	3.1
609.45099	100.0
610.45056	7.8
771.49768	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	824.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.7
59.04980	0.7
59.07366	0.3
60.07892	0.4
60.08165	5.5
67.05503	3.3
69.07068	0.8
70.41845	1.1
70.50554	0.3
71.04995	0.5
71.07368	3.6
79.05491	1.3
81.03394	0.7
81.07037	1.4
83.08611	0.5
85.02891	0.3
86.09704	32.0
86.51021	0.3
87.04448	0.4
87.65290	0.3
91.05489	1.6
92.92207	0.3
93.07037	1.4
94.07342	0.3
95.08607	0.9
98.98461	3.3
104.10738	3.1
105.07013	1.2
107.08591	0.8
109.10140	1.2
110.82218	0.3
119.08572	0.7
121.10178	0.4
125.00001	21.6
126.26701	0.3
131.08528	0.6
133.10162	0.4
135.11688	0.3
143.01042	0.5
145.10077	0.5
145.19960	0.3
155.80518	0.4
159.11787	0.4
171.11688	0.4
184.07338	100.0
185.07698	0.6
241.08195	0.4
324.75125	0.4
409.17496	0.4
575.98029	0.4
788.48022	0.6
806.49579	6.0
807.50262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	2.9
61.02922	2.3
65.03919	3.6
67.05502	78.3
69.03420	5.0
69.07064	19.2
69.29795	12.2
71.01337	2.1
71.04993	7.7
79.05490	43.9
80.05788	1.4
81.03413	77.2
81.07049	58.6
83.04971	10.5
83.08155	2.2
83.08613	29.2
85.02892	5.3
85.06543	4.6
87.04465	1.1
91.05473	42.2
93.07041	47.0
95.04380	2.1
95.04964	35.8
95.08598	28.9
97.02895	5.8
97.06521	14.7
97.10168	16.2
99.04422	2.6
99.08080	3.1
100.41101	1.3
103.05435	1.6
105.07027	35.9
107.04948	11.9
107.08586	35.6
109.02879	1.2
109.06512	10.4
109.10148	42.3
111.04443	3.8
111.08065	13.0
113.06036	1.4
115.05431	3.0
117.07013	13.3
119.04897	2.6
119.08571	32.4
121.06490	8.5
121.10136	19.6
123.04456	2.9
123.08068	6.2
123.11678	4.7
125.09608	12.4
125.41055	1.2
127.03851	1.3
128.06187	1.4
129.06996	15.0
131.08557	27.7
133.06442	5.4
133.10130	23.4
135.08037	6.7
135.11696	16.7
137.05992	2.5
137.09579	7.0
139.11143	1.5
141.06970	1.8
142.07751	3.1
143.08533	5.6
145.06456	2.6
145.10121	14.0
147.04436	2.2
147.08040	7.6
147.11679	17.8
148.04855	1.2
149.09613	11.1
149.13240	4.8
151.11157	4.4
153.09135	1.9
155.08540	4.1
155.10622	2.4
157.06485	2.3
157.08934	1.8
157.10100	13.9
159.08089	2.3
159.11691	8.8
161.09570	2.9
161.13222	3.0
163.11166	10.6
165.09148	1.9
165.12749	3.4
167.07077	1.4
169.10149	3.4
171.11684	4.1
173.09647	2.0
173.11732	9.8
173.13251	4.7
175.11192	14.0
175.14833	1.9
177.12695	2.9
179.14287	1.4
181.10118	2.6
181.12216	2.7
183.11658	2.6
184.07303	1.7
185.13292	2.9
187.11125	2.3
187.14743	2.1
189.11230	5.1
189.12753	2.6
193.10437	1.9
193.12230	25.4
195.11702	1.6
195.13788	1.6
197.13283	3.4
199.14883	1.3
201.12686	2.4
205.12178	1.4
211.13240	6.4
211.14949	1.6
213.12927	1.3
217.15837	3.1
227.12727	9.0
229.14334	35.0
249.14803	2.4
255.15849	12.7
257.19043	4.1
267.15903	100.0
268.16223	2.0
269.17407	8.7
275.20074	17.2
285.16953	2.7
291.19467	1.8
293.21054	4.7
299.20108	1.8
313.21820	2.0
315.23224	1.6
329.21130	2.3
331.22794	1.2
349.23737	15.8
351.23083	1.9
355.22308	1.8
367.24829	17.1
369.24164	3.4
387.25269	3.2
392.84515	1.3
403.24704	5.3
405.26184	2.0
421.25793	42.7
421.31335	3.0
422.26273	1.8
433.29108	1.4
437.29364	1.8
443.27917	9.5
447.27475	14.8
449.30307	3.0
459.27267	2.0
461.28964	60.1
462.29163	2.4
465.28476	37.4
466.28925	2.3
467.31293	2.6
475.30646	3.5
477.28378	2.3
479.29736	3.2
485.32300	1.8
493.31638	27.0
494.31989	1.9
523.34039	2.7
541.35217	49.5
542.35583	2.8
559.36292	51.4
560.36328	3.8
573.37866	3.7
591.38348	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	824.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04955	0.6
60.27853	0.6
61.02930	6.7
65.03933	1.4
67.05505	35.6
69.03426	3.5
69.07074	9.0
71.01314	2.4
71.05002	4.9
71.51726	1.3
73.02892	1.6
73.32759	0.6
79.05495	33.0
81.03419	37.7
81.07057	23.1
82.07372	0.7
83.04981	12.7
83.08173	1.0
83.08623	13.4
83.25404	0.6
85.02390	0.9
85.02905	17.4
85.06537	3.1
91.03970	4.4
91.04927	1.1
91.05482	21.6
93.07049	31.8
94.99425	0.6
95.04969	16.0
95.08614	8.8
97.02418	0.5
97.02903	5.8
97.05952	0.7
97.06532	10.4
97.10165	7.6
99.04453	1.3
99.08083	1.5
105.07032	12.3
107.04948	5.1
107.08595	23.5
108.08834	0.6
109.06509	3.7
109.10160	4.6
111.04427	2.0
111.08076	6.1
113.06020	1.5
115.03960	0.6
115.05421	1.0
117.07033	3.4
119.04964	0.8
119.08585	12.9
121.06493	2.4
121.10140	9.4
123.08064	1.5
123.11646	1.0
125.09612	2.5
127.03886	1.9
129.07016	5.2
130.07759	1.2
131.04858	0.7
131.08577	6.6
133.06480	1.3
133.10139	7.8
135.08086	1.7
135.11691	32.4
137.06009	0.7
137.09558	2.1
139.03831	0.7
142.07777	1.0
145.04932	1.2
145.10124	6.7
147.07973	1.9
147.11691	10.0
149.09583	3.5
151.07547	0.8
151.11121	1.3
153.12660	1.0
157.10130	8.1
159.11577	0.8
163.06033	1.5
163.11185	4.7
165.12712	1.6
175.11188	7.3
181.12213	6.0
193.12239	23.8
199.13335	1.7
211.13286	26.2
211.15308	1.5
231.13759	0.8
249.14862	0.9
250.68814	0.7
255.15916	82.8
256.16196	1.8
267.15909	21.5
285.16974	18.5
373.23495	0.6
403.25763	0.7
421.26031	2.6
447.27460	41.9
448.27957	2.0
465.28500	100.0
466.28888	6.3
609.32684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	0.2
58.06585	1.8
59.07378	1.2
60.08164	5.3
67.05506	0.6
69.07071	0.3
70.06604	0.2
70.97847	0.2
70.98170	0.2
71.07371	2.7
71.08644	0.2
79.05522	0.4
81.03446	0.2
81.07062	0.7
86.09707	26.7
91.05486	0.4
93.07039	0.3
95.08612	0.4
98.98463	2.7
104.10739	2.5
105.07047	0.2
107.08562	0.3
109.10191	0.3
109.81663	0.1
119.08606	0.5
125.00005	17.9
133.10130	0.3
143.01028	0.2
147.11679	0.3
163.01538	0.3
184.07343	100.0
185.07668	0.8
222.08939	1.4
240.09894	0.4
275.20062	0.3
282.10907	0.2
283.06265	0.2
293.68710	0.2
341.12595	0.2
352.83853	0.1
354.12903	0.3
496.33783	0.3
550.34778	0.2
569.33289	0.2
650.43982	1.8
690.45996	0.2
804.53821	0.3
822.54895	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	823.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.4
67.05495	2.0
67.16167	1.0
69.03410	1.5
69.29134	10.2
79.05483	2.6
80.05024	1.1
81.03423	3.0
81.07063	1.1
85.02920	1.4
91.05474	2.4
93.05762	1.8
93.07031	2.8
94.06554	9.5
94.14836	1.0
95.07335	1.3
96.08134	7.0
97.02898	2.2
106.06525	2.3
107.07314	2.3
107.69376	1.0
108.04468	1.7
108.08125	19.6
109.02884	1.5
110.06012	1.4
110.09668	8.1
116.04960	1.2
118.06565	1.4
120.04453	1.6
120.08097	14.3
122.06031	15.3
122.09663	8.5
124.07593	3.3
127.03880	1.3
132.08118	1.8
134.06023	3.0
134.09676	2.5
136.07578	22.4
137.07944	1.1
138.05466	2.3
138.09135	16.0
144.04459	1.8
146.06000	13.4
148.07556	23.7
150.05432	1.3
150.09138	8.5
152.07071	13.7
160.07567	4.3
161.98996	0.9
162.05487	2.4
162.09108	2.8
163.03923	1.3
164.07037	4.1
166.08649	14.9
172.03909	7.4
172.07455	1.3
174.05479	2.5
174.09123	1.8
176.07079	1.5
178.08643	1.3
180.10184	1.3
182.09660	1.3
184.09958	1.8
188.07018	1.1
190.04938	6.7
190.08702	1.6
197.10710	2.3
198.11508	3.4
199.12274	1.9
200.07054	1.5
204.06557	9.1
207.08937	1.2
208.09792	1.7
209.10786	2.2
210.11516	3.1
211.12347	8.2
212.09341	1.3
212.13016	2.7
213.10127	1.4
213.13809	1.2
222.11424	1.6
223.12315	5.4
224.09384	1.1
224.12981	1.6
225.10242	4.0
225.13875	3.1
226.10997	3.8
227.11786	6.7
235.08687	2.1
235.12248	2.4
236.09221	2.3
237.10274	6.9
237.13939	1.1
238.10965	6.5
239.11787	19.9
240.12544	4.5
241.13329	4.0
243.11360	1.2
248.09441	1.9
249.10246	8.7
250.10960	5.4
251.11795	23.8
252.12543	6.3
253.09688	3.1
253.13370	15.3
254.14034	1.7
255.11307	12.4
257.12860	1.3
261.10278	1.4
263.11807	17.6
264.09039	2.3
264.12537	3.7
265.09778	6.4
265.13330	12.1
266.10571	4.9
266.14026	4.8
267.11234	12.1
268.11954	1.5
269.12842	2.7
271.14511	2.2
277.09735	5.3
277.13123	2.4
278.10406	5.3
279.11295	29.2
280.08859	1.1
280.12000	5.8
281.12839	17.8
282.13611	1.5
283.10849	2.1
283.14331	1.4
285.12296	6.8
290.10388	1.6
291.11276	14.8
292.12024	2.7
292.61575	1.1
293.09589	1.8
293.12778	10.9
294.13449	2.0
295.10669	3.6
295.14032	2.1
296.11633	1.7
297.12338	18.1
298.13116	1.3
299.13882	7.3
303.04968	2.2
305.12793	1.7
307.10709	5.3
309.12253	4.8
310.12915	2.6
311.10327	2.2
311.13898	26.9
312.10910	1.9
312.14359	2.6
313.15369	2.4
319.10788	9.5
321.12222	5.1
323.10193	3.4
323.13809	2.1
325.11740	4.4
326.12259	1.7
327.13474	1.4
328.14334	1.4
330.15973	2.2
337.11780	4.2
338.12405	2.0
339.13306	5.7
340.14005	2.3
342.15936	1.5
343.12872	1.4
344.17685	1.4
346.19061	1.2
351.13437	2.7
353.14975	2.5
355.12906	2.9
357.14279	1.5
358.15390	2.7
369.14352	2.1
370.15469	2.0
371.15994	1.9
372.16882	1.6
379.12769	2.7
381.14398	3.2
383.16174	2.5
384.16998	1.3
386.18668	1.9
395.16122	1.5
398.14722	2.1
399.15454	2.8
404.19736	2.1
405.14706	1.5
411.15411	6.9
413.17255	2.4
414.18045	1.8
416.15753	2.0
418.21045	3.6
423.15555	1.5
429.16498	4.7
430.17462	2.3
431.18195	2.0
435.15570	2.8
439.15140	3.0
441.16611	5.0
443.18320	1.9
444.18976	2.0
446.20636	4.0
453.16415	7.6
455.18021	2.4
459.17316	3.5
461.89014	1.2
463.15152	2.9
469.16171	3.7
471.17581	15.6
473.19196	2.0
474.20364	1.3
481.16104	14.7
499.17276	1.3
534.22009	1.4
560.20636	1.3
566.24811	4.5
570.22229	1.7
578.24353	2.9
580.25525	1.5
585.25995	1.2
588.23120	1.5
590.24426	3.5
591.21545	1.8
592.23022	1.4
593.23065	3.5
594.24194	6.5
606.24408	43.7
607.24408	3.2
608.26007	91.5
609.26190	3.5
616.22876	2.3
618.24377	2.5
620.21960	4.5
621.22693	1.7
622.22699	1.4
629.26617	1.3
634.23907	73.5
635.24207	4.5
636.24908	2.0
652.25031	8.6
662.95056	1.2
666.26538	100.0
667.27356	7.2
737.27283	1.5
755.29156	12.0
773.30542	9.9
791.31189	29.0
823.33038	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.7
57.07077	1.7
64.57122	1.4
65.03925	3.1
67.05500	38.2
69.03401	1.9
69.07066	36.2
70.12975	6.9
71.04971	3.2
75.36074	1.3
79.05489	46.0
81.03412	8.0
81.07048	62.3
83.04952	5.9
83.08603	9.0
85.06516	2.2
90.23479	1.3
91.05472	77.7
93.07037	51.0
95.01317	8.5
95.04967	10.6
95.08602	37.6
97.06524	22.4
97.10140	3.7
102.54003	1.3
103.05460	4.5
105.07024	99.0
107.04952	14.8
107.08580	30.0
109.06493	4.1
109.10147	11.5
111.08051	1.7
115.05425	2.7
117.07003	20.2
119.08576	59.1
121.06470	3.8
121.10125	17.4
123.04398	2.5
123.08044	3.6
123.11652	2.8
125.09603	2.0
128.06200	1.8
129.06999	9.2
131.08554	28.1
133.10112	51.4
135.08055	3.9
135.11668	11.0
141.07022	1.9
143.08543	5.7
145.06512	3.5
145.10115	22.6
147.08009	1.8
147.11664	31.0
149.09596	3.6
149.13242	8.1
151.11131	1.8
155.08604	2.4
157.10123	7.4
159.11678	16.9
161.09651	1.6
161.13237	13.7
163.11154	3.6
165.09093	1.7
169.10092	3.5
171.11642	8.7
173.13266	7.3
175.11108	1.7
175.14757	7.0
177.12744	4.2
179.14262	11.4
184.07462	1.9
185.13202	4.6
187.11172	4.8
189.12729	2.2
197.13289	1.7
197.76921	1.4
199.14909	2.6
201.16377	2.1
215.41013	1.7
217.19528	1.4
233.15359	1.6
239.17886	2.9
241.19513	15.3
247.17073	1.5
257.18958	6.4
259.20566	28.2
275.20047	59.1
276.20453	1.7
277.21780	2.7
293.21033	4.2
315.23160	11.0
333.24225	53.1
349.23700	52.2
387.53369	1.7
511.37918	2.3
513.35822	3.1
540.27722	1.6
585.25549	1.9
607.43530	100.0
608.43628	4.6
625.44543	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	822.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.2
59.05000	2.3
65.03937	3.5
67.05502	65.5
69.03426	10.8
69.07069	35.4
71.04984	10.5
71.51620	2.0
73.02911	2.5
77.03905	2.4
79.05489	66.4
81.03415	98.3
81.07052	92.0
83.04984	22.0
83.08158	3.3
83.08615	38.6
85.02881	8.5
85.06534	6.5
87.61348	2.3
90.30631	2.6
91.04909	3.6
91.05477	60.9
93.07038	50.8
95.04962	53.4
95.08598	29.8
97.02888	7.6
97.06528	33.3
97.10167	28.0
99.04455	4.3
99.08089	4.3
105.07027	47.0
107.04955	23.2
107.08581	36.0
109.06506	19.4
109.10134	20.4
111.04427	13.3
111.08100	16.4
115.05433	5.6
115.07571	5.1
117.07007	20.9
119.04951	2.2
119.08578	41.4
121.06506	12.4
121.10138	22.0
123.04414	3.8
123.08072	25.6
123.11704	4.9
125.09615	23.7
127.03918	3.0
128.06197	4.0
129.07007	22.0
131.04933	3.9
131.08563	25.4
133.06503	10.3
133.10106	20.9
135.08057	13.0
135.11711	15.5
137.05972	4.7
137.09598	7.3
139.11157	4.8
141.06992	4.0
142.07796	3.8
143.08546	12.8
145.06462	5.1
145.10110	22.6
147.08057	16.0
147.11685	15.6
149.09587	16.3
149.13216	7.7
151.04201	2.3
153.09062	4.5
153.12727	4.7
155.08546	4.0
157.10100	18.3
159.08044	7.8
159.11684	11.2
161.05988	2.5
161.09608	9.1
163.11182	16.3
165.09077	4.6
171.11682	6.8
173.05875	2.4
173.09578	5.5
173.11827	3.2
175.11137	17.5
177.12793	5.7
181.10042	3.9
181.12212	6.2
183.11687	3.3
185.09521	3.2
185.13284	7.1
187.11111	3.9
189.11153	15.9
191.10638	5.1
191.14188	3.0
193.12222	30.8
195.11635	4.2
195.13612	2.8
199.11208	3.6
201.12718	3.4
205.12202	3.2
211.13161	3.7
217.15820	3.0
219.13779	6.6
221.15546	3.3
223.13130	3.0
227.12769	16.7
229.14313	4.1
245.18929	4.2
249.14891	2.9
267.15912	100.0
269.17459	10.6
271.16916	2.6
273.18475	34.7
283.15210	3.9
291.19525	47.7
309.20560	10.5
329.21039	3.9
347.22089	8.8
355.22186	2.5
365.23239	26.7
383.24393	14.4
433.25742	4.6
443.27890	4.4
447.27774	10.4
461.29004	15.7
463.30392	11.9
465.29636	7.9
483.31052	6.5
487.30280	2.6
489.28168	3.4
499.30591	3.9
501.31281	3.0
521.32373	3.6
539.33826	22.7
557.34711	98.9
575.27338	4.1
575.35773	61.1
589.36957	4.0
591.35614	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	822.483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.2
59.04991	5.3
61.02922	3.3
65.03929	5.2
65.37992	1.2
67.05502	100.0
69.03127	1.1
69.03433	9.4
69.07066	41.1
70.96646	2.8
71.01337	1.9
71.04992	10.3
72.00803	1.0
73.02902	2.2
79.05490	57.4
81.03416	91.8
81.07053	68.0
83.04982	13.7
83.08617	29.8
85.02892	6.9
85.06548	7.7
87.04462	3.6
87.18413	1.0
89.26858	1.2
91.05479	61.6
93.07040	50.0
93.07640	1.8
95.01317	1.3
95.04967	41.1
95.08605	36.9
97.02879	6.2
97.06530	18.3
97.10168	11.8
99.04467	1.6
99.08107	3.4
103.03919	1.5
103.05463	2.7
105.07026	41.2
107.04942	18.4
107.08586	31.4
109.02856	2.0
109.06505	8.2
109.10155	48.5
111.04424	5.6
111.08076	11.1
115.05420	2.8
116.06206	1.4
117.07013	14.4
119.04938	2.3
119.08583	35.4
121.06527	7.9
121.10130	21.9
123.04461	1.4
123.08059	8.0
123.11697	3.6
125.09627	10.7
127.03924	2.2
128.06200	2.3
129.05493	1.7
129.06993	15.7
131.04904	2.7
131.08562	22.7
133.06474	5.3
133.10127	19.2
135.08023	6.7
135.11696	12.0
137.06067	1.2
137.09613	10.9
139.07561	1.4
139.11198	1.4
141.06982	3.0
142.07764	2.9
143.08574	5.3
145.06473	3.8
145.10120	18.1
147.08014	5.9
147.11674	17.1
149.09625	23.4
149.13237	3.8
151.11148	4.8
153.12724	1.6
155.08505	3.4
155.10651	2.3
155.85559	1.2
157.10124	13.5
159.08084	1.8
159.11682	5.8
161.09612	3.6
161.13263	4.6
163.11145	11.9
165.09068	1.5
165.12743	3.7
167.10681	1.8
169.10132	3.2
171.08069	1.4
171.10262	2.4
171.11732	3.6
173.04436	1.4
173.09508	1.8
173.11745	13.4
173.13280	5.2
175.11186	13.8
177.12772	4.3
179.14362	1.4
180.57060	1.2
181.10188	1.2
181.12181	3.4
183.11638	2.3
184.07397	1.6
185.13287	3.8
187.11188	2.2
189.11198	5.6
189.12723	1.9
191.10674	2.3
193.12239	28.9
195.13782	2.8
197.13373	2.3
197.15387	2.3
199.13286	3.2
201.12793	1.9
205.12242	2.0
211.13248	4.8
215.17874	1.4
221.15414	1.5
223.13239	2.8
225.14877	3.6
227.12769	8.4
229.14328	40.0
235.13272	1.9
241.14252	1.6
243.15942	4.4
249.14828	5.1
255.15874	7.3
257.18896	2.6
259.15366	1.9
267.15912	83.7
268.16370	1.7
269.17407	4.9
273.18417	1.9
275.20093	19.0
285.17035	2.1
291.19345	6.0
293.21039	2.9
315.17957	1.3
329.21194	4.4
341.20480	1.7
347.22104	1.4
349.23758	16.5
355.22549	1.6
363.21640	1.8
365.23328	3.4
371.25751	1.4
403.24869	3.9
409.25433	1.2
417.26202	1.2
421.25842	28.0
423.27386	3.2
429.26797	1.3
435.27527	4.9
445.29495	2.5
447.27454	24.9
447.33395	1.0
459.27390	2.0
461.28845	3.4
477.28607	1.8
489.28183	1.7
541.35260	35.5
557.34790	2.3
559.36285	9.1
583.04364	1.3
610.40436	1.5
735.63623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.1
57.07078	1.1
61.02911	3.7
65.03934	2.1
67.05505	33.8
69.03423	2.3
69.07069	12.4
70.18944	2.4
71.04982	2.7
73.02898	2.1
79.05492	19.8
81.03434	4.2
81.07052	40.6
83.04974	3.6
83.08615	9.2
85.02908	4.4
85.06536	2.8
91.03954	3.3
91.05474	11.4
93.07040	33.9
95.04959	5.3
95.08612	11.6
97.02890	2.6
97.06525	9.2
97.10165	2.4
99.08083	1.3
105.07039	6.6
107.04960	1.5
107.08592	17.6
109.06531	2.4
109.10153	5.8
111.08064	4.4
117.07015	6.0
119.08577	3.6
121.06491	1.9
121.10145	12.3
121.99016	0.7
123.08063	1.2
123.11744	1.2
125.09610	2.0
127.03931	1.1
129.07025	0.9
131.08580	6.8
133.10112	5.6
135.08058	1.3
135.11690	5.5
136.16418	0.8
137.09613	1.2
139.11148	1.1
145.10144	2.1
147.08171	0.9
149.09656	2.2
149.13257	19.9
151.11241	1.1
157.10126	1.6
158.39310	0.7
159.11659	6.6
163.11145	1.6
167.92744	0.9
173.11798	1.8
175.11070	1.3
177.12724	3.5
184.07349	1.8
195.13803	5.4
207.29073	0.8
213.14769	1.2
227.12711	1.2
229.14336	2.0
267.15836	1.6
269.17465	43.3
275.20139	1.3
283.15485	1.3
349.23660	1.4
463.30539	100.0
464.31003	4.4
543.17371	0.8
554.17761	0.8
573.33521	1.1
607.34357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
60.08168	2.2
61.21454	1.8
61.37521	1.8
65.62558	1.9
66.26376	1.9
67.05500	29.6
69.07066	23.5
71.04973	2.2
71.07334	2.3
71.51382	3.2
79.05495	26.0
81.03407	7.8
81.07056	37.9
83.04975	6.1
83.08623	6.0
86.09696	7.4
91.05482	45.5
93.07040	28.8
95.01311	8.1
95.04962	7.2
95.08601	23.9
97.02997	1.9
97.06527	43.7
97.07154	2.7
97.10175	3.0
99.08047	2.3
105.07033	55.7
107.04962	17.8
107.08558	14.9
107.80555	1.9
109.06501	2.6
109.10146	5.2
110.36340	1.8
111.08086	2.6
114.38003	1.9
117.07043	9.8
119.08573	29.0
121.06529	3.3
121.10126	7.3
123.08112	3.0
123.11709	3.3
124.99989	5.5
131.08559	15.4
133.10132	29.9
135.08057	3.1
135.11693	5.3
137.96692	2.0
143.08569	4.6
145.06508	2.8
145.10086	14.8
147.11682	12.3
149.09630	6.3
157.10132	3.5
159.11713	9.5
161.13289	4.3
163.11188	7.1
171.11827	2.4
173.13203	2.1
177.12746	3.6
179.14316	11.7
181.04958	4.3
184.07329	26.8
187.11115	2.6
239.65927	1.9
247.20789	3.3
257.19016	6.5
275.20056	75.4
276.20563	2.6
280.46844	1.8
283.06387	3.5
293.21036	5.5
349.23730	48.3
350.24142	2.8
623.43018	100.0
624.43805	10.8
641.43817	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	820.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.7
58.06601	0.5
60.08163	5.6
67.05500	1.5
69.07061	0.5
69.18809	2.1
70.94442	0.2
71.07000	0.2
71.07375	3.0
71.08616	0.6
71.89500	0.2
79.05471	0.5
81.03384	0.2
81.07043	1.2
83.08604	0.3
85.10181	0.2
86.09701	27.0
91.05463	0.7
93.07034	0.5
95.08587	0.9
98.98457	3.0
104.10741	2.5
105.07015	0.5
107.08610	0.2
109.06503	0.3
109.10144	0.7
119.08569	0.3
124.99997	19.6
135.11589	0.3
143.00999	0.6
150.31200	0.3
173.11649	0.4
184.07329	100.0
185.07594	0.6
189.03448	0.2
229.14317	1.4
269.17496	0.5
275.20035	0.6
293.29092	0.2
313.27325	2.2
349.23624	0.4
367.24652	0.4
467.37183	0.8
496.34134	0.3
507.40265	0.8
587.46283	0.7
605.47675	0.4
673.20288	0.3
704.48431	2.8
770.52942	1.5
784.54614	0.5
788.53644	0.4
820.56531	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	819.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.8
57.07063	7.9
61.02912	7.4
65.03925	5.0
67.05505	100.0
67.31712	2.3
69.03430	38.2
69.07076	25.6
69.23586	2.3
71.01354	3.3
71.02823	2.5
71.05003	12.7
73.02908	4.9
79.05492	56.0
81.03420	65.8
81.07051	60.4
83.04982	18.0
83.08615	22.4
84.04336	2.6
85.02909	20.3
85.06501	3.7
85.44334	2.8
87.04443	2.8
88.01614	2.5
91.04913	3.2
91.05481	62.6
93.07041	42.2
95.04963	20.2
95.08604	44.3
97.02895	28.5
97.06536	23.8
97.10154	18.9
99.04448	9.8
101.02357	4.4
103.05460	3.4
105.07035	56.6
107.04938	11.3
107.08598	34.7
109.02853	12.3
109.06466	5.5
109.10164	46.4
111.04447	5.5
111.08088	7.2
115.05450	5.5
117.07031	25.6
119.08582	41.6
121.06474	8.1
121.10130	23.0
123.08073	9.3
123.11690	6.8
125.09660	16.1
127.03924	16.5
128.06229	8.9
128.39240	2.5
129.05446	4.3
129.07007	23.5
131.08563	38.2
133.06480	3.9
133.10139	31.9
135.08046	8.4
135.11702	12.7
137.09593	4.1
139.11160	2.9
141.06953	10.0
142.07747	4.0
142.57361	2.7
143.08560	19.1
144.09337	3.4
145.06458	7.3
145.10136	30.6
147.08015	7.7
147.11678	22.3
149.09593	9.1
149.13213	7.6
151.11179	5.6
155.08525	10.5
157.06482	3.7
157.10109	21.1
159.08063	4.0
159.11707	24.5
161.09628	4.2
161.13255	11.0
163.11200	9.6
163.14861	3.8
165.07016	4.2
167.08554	5.4
168.09335	3.0
169.10127	11.7
171.08055	2.6
171.11702	12.3
173.04465	20.0
173.05774	3.7
173.09691	7.1
173.11713	13.0
173.13281	11.4
175.11151	8.0
175.14856	5.9
177.12706	4.7
178.00487	2.4
179.08508	3.2
179.14319	5.3
181.04878	3.4
181.10126	7.4
183.08041	5.2
183.11682	9.4
184.07417	4.2
185.09570	3.6
185.13220	8.6
187.11188	4.3
187.14726	5.1
189.11145	3.9
191.10600	3.0
193.10095	3.7
193.12297	4.7
195.11693	7.0
197.13245	7.2
199.11258	4.4
199.13206	4.0
199.14839	5.3
201.12593	2.6
209.13335	4.0
211.13080	3.2
217.14159	3.0
221.13306	3.4
223.13048	3.2
227.12770	9.8
229.14319	25.7
239.14404	3.3
241.19472	6.9
243.15842	3.2
255.17447	2.9
257.19031	8.4
259.20554	15.3
261.22220	2.7
262.41922	2.6
267.15839	6.7
273.18546	4.3
275.20093	26.7
291.19522	9.4
293.21219	5.2
301.21799	2.7
313.21576	8.3
313.27213	5.1
314.27664	5.7
321.22058	3.1
325.21555	5.5
327.22910	4.1
333.24176	9.5
339.23184	3.4
349.23569	11.7
357.32947	2.7
365.23267	3.4
367.22433	5.8
385.23849	2.9
515.33923	3.0
525.35828	3.3
541.35101	21.4
542.35175	3.6
543.36523	3.4
559.35931	9.2
613.81244	3.5
621.41199	5.0
639.42920	18.0
657.43298	4.6
661.22485	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	819.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	20.5
57.07053	5.4
61.02912	6.1
65.03936	10.1
65.82244	2.7
67.05137	5.1
67.05499	100.0
69.03432	21.0
69.07072	42.3
69.41031	24.9
71.04978	11.9
73.02905	3.9
79.05490	80.1
81.03423	33.3
81.06596	5.6
81.07056	87.4
83.04987	21.2
83.08620	22.2
85.02905	11.4
85.06523	7.2
91.03942	4.0
91.05480	85.3
93.07045	74.6
95.04955	49.1
95.08609	50.1
97.02875	16.7
97.06526	33.7
97.10163	18.6
99.04436	3.5
99.08099	4.3
103.05437	7.1
105.04537	4.0
105.07032	67.3
107.04967	38.1
107.08593	47.1
108.59180	2.6
109.02859	8.7
109.06517	34.3
109.10156	27.7
111.08061	9.5
113.06019	13.8
115.05449	8.2
116.06210	2.7
117.07024	36.9
117.76409	3.2
119.08578	50.8
119.14956	3.3
121.06474	14.2
121.10141	26.2
123.04446	4.3
123.08063	15.4
123.11727	6.8
125.06063	3.2
125.09641	19.0
127.03914	9.7
127.07602	3.1
128.06187	9.7
128.62148	3.0
129.05527	5.5
129.07025	21.8
131.04848	3.1
131.08565	41.0
133.06479	8.4
133.10136	41.2
135.08055	26.0
135.11679	18.4
137.09589	5.0
141.06943	3.8
142.07680	3.7
143.08577	16.6
145.06459	9.7
145.10127	36.0
147.08035	13.4
147.11665	26.2
149.05911	3.6
149.09622	18.9
149.13240	9.9
151.11211	4.2
155.08591	8.3
157.10115	17.4
159.08060	9.1
159.11687	21.2
161.09532	14.6
161.13235	13.8
163.11197	11.1
165.09100	8.3
167.08618	3.6
169.10150	7.9
171.11693	12.1
173.04416	8.1
173.09645	5.6
173.13268	9.0
175.11188	6.2
177.12762	7.9
179.14354	5.7
181.04926	3.1
181.10197	4.5
183.11691	6.5
185.13278	7.5
187.11154	4.1
187.14803	8.4
189.11205	8.2
189.12720	6.1
193.12265	5.1
197.13303	4.2
199.11156	3.5
199.14799	4.5
207.11571	3.1
217.15808	7.3
221.13130	3.3
223.13261	6.7
227.12798	13.3
229.14386	3.2
233.15385	3.7
241.19554	3.7
253.92282	3.0
257.18988	10.8
259.20578	10.0
267.16022	6.0
273.18469	32.7
275.20068	58.5
279.15732	3.3
287.61914	3.8
289.18011	6.9
291.19540	92.8
292.19888	4.0
293.21146	9.2
333.24347	15.7
347.22141	11.5
349.23798	29.8
365.23227	21.9
381.22635	5.7
541.35114	4.5
559.35767	10.0
621.41541	19.5
639.42487	49.4
640.43182	4.9
657.43915	16.8
703.39587	3.9
752.20935	3.7
801.46576	6.3
819.47931	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	814.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06361	0.2
58.06607	0.2
59.07385	0.1
60.08160	6.0
67.05505	0.3
67.80087	0.1
68.03805	0.1
70.06602	0.2
71.07365	3.8
71.52689	0.1
79.05493	0.2
80.97416	0.1
81.07053	0.3
84.26259	0.1
86.09701	29.7
87.10032	0.4
91.05493	0.1
93.07043	0.2
95.08567	0.2
98.98454	3.4
104.10721	1.7
107.08602	0.1
122.72610	0.1
124.99993	19.9
143.01039	0.3
166.02666	0.2
184.07329	100.0
185.07663	1.1
198.13669	0.1
223.40211	0.1
247.03786	0.1
274.21344	0.1
303.94315	0.1
514.25195	0.1
540.71808	0.1
650.15417	0.1
778.53754	6.7
779.54211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06632	0.4
58.45417	0.1
59.07152	0.1
59.07405	0.2
60.08162	6.2
67.05504	0.2
69.96025	0.3
70.06600	0.1
71.07372	3.8
79.05482	0.2
81.03429	0.1
81.07040	0.2
86.09705	32.2
86.96230	0.1
87.10036	0.2
91.05485	0.2
93.07034	0.1
95.08589	0.1
98.98465	3.6
104.10738	2.2
105.07056	0.1
107.08568	0.1
124.99998	22.0
126.00381	0.1
143.01067	0.3
160.36009	0.1
166.02689	0.3
184.07335	100.0
185.07689	0.7
500.30670	0.1
516.30475	0.1
518.32330	0.1
544.94397	0.1
602.20599	0.1
704.41821	0.1
776.52100	4.7
777.52692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06628	0.4
60.08160	5.7
67.05499	0.2
70.06577	0.1
71.07368	3.3
71.07762	0.2
79.05476	0.1
81.07030	0.2
83.46124	0.1
86.09700	28.8
87.10051	0.2
92.52677	0.2
93.07022	0.2
98.21630	0.3
98.98458	3.2
104.10729	2.6
106.77272	0.1
116.99498	0.2
124.99993	20.9
143.01047	0.3
166.02687	0.2
184.07327	100.0
185.07710	0.7
244.56429	0.1
250.40843	0.1
499.97287	0.2
534.31903	0.2
657.54688	0.2
726.56488	0.2
794.53174	7.9
795.52802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.6
57.07069	0.9
59.04998	1.2
60.04520	1.0
61.02927	8.3
66.40044	0.6
67.05510	4.9
69.03426	19.8
69.07066	4.9
71.04984	3.0
71.08676	0.7
71.51079	1.5
73.02911	3.5
79.05495	6.6
80.05032	0.7
81.03415	10.6
81.07048	9.6
83.04972	1.7
83.08630	3.5
85.02902	100.0
85.06522	1.0
87.04468	1.8
91.03965	5.1
91.05470	5.8
93.07044	11.0
93.36374	0.7
95.04971	1.5
95.08607	20.0
95.09187	1.4
97.02887	32.0
97.10186	1.9
98.06017	0.9
98.77809	0.7
99.04436	3.9
101.02390	0.8
105.07028	10.5
107.04967	1.2
107.08588	20.0
109.02880	10.3
109.06512	1.3
109.10152	14.0
111.04343	0.7
111.08091	1.8
115.03914	1.1
117.07022	1.8
119.08578	14.6
121.06550	1.0
121.10140	12.6
123.08077	1.0
123.11692	4.5
126.05524	0.9
127.03907	30.3
128.06096	0.7
131.08563	3.6
133.10118	13.9
135.04393	1.0
135.08096	1.0
135.11668	10.2
137.05945	0.9
137.09589	1.2
143.08578	1.4
144.06577	4.3
145.04951	44.4
145.10114	7.8
147.04362	0.7
147.08093	1.1
147.11697	9.6
149.09573	1.3
149.13255	4.6
151.49124	0.7
153.09129	1.4
157.10156	0.8
159.11670	5.6
161.09627	0.8
161.13245	6.6
162.07645	1.5
163.03984	1.0
163.06020	13.8
163.07423	1.1
163.11177	8.7
163.14848	5.3
165.09138	0.9
167.10742	0.8
171.11751	1.3
173.13301	2.6
175.11354	0.9
175.14827	9.5
177.16376	17.2
178.16760	1.0
179.14331	2.0
180.08662	2.7
183.11685	0.8
184.07437	1.5
185.13315	1.5
187.14789	11.9
189.16371	32.9
191.17970	4.3
193.12151	1.2
199.14789	0.9
201.16364	7.5
201.17763	0.7
203.17947	25.7
203.19769	1.5
204.08772	0.8
204.18321	0.8
205.15872	87.3
205.19589	4.0
206.16275	2.3
207.17433	20.3
208.17812	1.1
213.16455	1.8
215.17999	3.5
217.15932	0.7
217.19582	0.9
219.17509	1.4
221.19005	1.6
223.16975	1.4
227.18022	0.8
229.14349	1.0
229.19667	1.0
231.17516	1.4
235.16884	2.2
241.19620	1.0
243.21101	0.9
247.16939	4.8
249.18526	10.1
252.15598	0.7
261.18530	2.6
270.91150	0.8
283.15179	0.8
285.25995	1.1
289.09470	1.0
295.24194	2.8
303.05014	2.0
313.25299	5.9
324.12894	2.6
325.11548	1.2
330.51428	0.8
349.28836	0.8
391.33496	5.1
409.34628	57.4
410.34998	3.2
411.32425	1.6
425.34503	0.8
427.35660	12.3
437.34137	32.8
438.34598	2.7
455.35278	12.6
473.36328	1.8
527.66205	0.9
579.13770	0.8
599.39746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06629	0.5
59.07382	0.2
60.08161	6.6
66.42918	0.1
67.05491	0.2
69.03399	0.1
69.07058	0.1
70.06599	0.1
70.30830	0.1
71.07369	3.7
71.08614	0.1
79.05478	0.2
80.96822	0.1
80.97369	0.1
81.03427	0.1
81.07055	0.3
86.09700	32.9
87.10026	0.4
91.05468	0.2
93.07030	0.2
95.08595	0.1
98.98457	3.4
104.10733	2.7
105.07034	0.1
116.99511	0.1
123.11708	0.1
124.99995	20.6
126.00362	0.1
126.91278	0.1
131.08493	0.1
133.10114	0.1
143.01036	0.3
155.35646	0.1
166.02602	0.2
166.96614	0.1
184.07329	100.0
185.07677	1.1
229.78949	0.1
313.27054	0.1
516.30737	0.2
534.31561	0.1
591.18872	0.1
707.36157	0.1
735.29156	0.1
769.25079	0.1
792.51654	6.5
793.52063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.04990	1.0
60.08143	1.1
61.02924	4.3
67.05505	4.4
69.03425	2.5
69.07067	2.8
69.19820	4.3
69.20238	0.9
71.01332	0.7
71.04984	1.9
73.02914	2.7
73.03259	0.4
79.05492	3.8
81.03413	4.3
81.07052	6.0
83.04980	1.3
83.08612	0.8
85.02902	4.8
85.12486	0.4
86.09697	3.9
87.04453	0.5
91.03955	2.0
91.05479	4.4
93.07036	3.8
95.04955	2.0
95.08581	2.1
97.02882	3.8
97.06547	1.3
99.04444	1.5
101.02385	1.6
103.03981	0.4
104.10738	0.7
105.07018	3.0
107.04920	0.6
107.08593	2.4
109.02914	0.6
109.06532	1.0
109.10168	0.8
111.08111	0.5
117.07021	1.0
119.08597	3.1
121.06535	0.4
121.10159	2.3
123.08052	0.7
123.11714	0.5
124.99967	2.1
127.03950	1.1
129.07030	1.3
131.08534	2.1
133.10149	1.7
135.11674	1.1
141.06950	0.4
145.10103	0.8
147.11690	1.4
149.09647	1.7
157.10149	1.4
159.11703	0.6
163.03847	0.5
163.11296	0.5
170.59210	0.4
173.13106	0.4
175.11211	0.7
184.07338	16.5
185.07657	2.1
193.12326	1.8
196.35530	0.4
203.05174	0.7
211.37810	0.4
243.08374	3.5
253.14067	0.5
267.15918	0.8
269.08105	0.4
283.06378	0.8
283.15146	3.0
306.07944	0.4
312.36282	0.4
333.20267	2.2
339.17865	1.2
347.99936	0.4
362.37515	0.5
389.23013	0.7
439.19501	1.1
453.21158	0.5
469.20715	1.1
501.23041	13.8
551.28271	6.3
721.37323	0.7
811.44427	100.0
812.45239	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	808.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	10.9
61.89530	9.1
67.05499	65.2
67.42930	8.3
69.07063	20.4
69.26807	82.1
71.14957	9.2
77.58971	7.4
79.05487	51.3
81.07063	74.4
83.08598	12.2
86.09708	44.0
91.05475	60.4
93.07047	68.8
95.08604	49.9
98.20734	17.9
105.07054	42.6
106.75653	9.4
107.08601	29.8
109.10178	15.6
117.07027	13.2
119.08594	38.5
121.10146	29.7
125.00029	18.3
129.07004	18.5
131.08609	24.5
133.10109	32.5
135.11693	23.0
143.08522	12.2
145.10158	24.7
147.11679	27.5
159.11699	25.7
161.13271	21.2
173.13324	12.0
184.07332	100.0
185.07707	24.8
185.13229	12.5
199.93927	8.0
259.20572	38.0
264.73621	9.3
282.65939	9.5
322.38766	9.2
333.24377	21.9
335.25861	62.2
611.46704	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06627	0.4
59.07399	0.2
60.08156	5.9
67.05503	0.1
70.06570	0.1
70.99047	0.2
71.05317	0.1
71.07365	3.5
73.05338	0.1
79.05485	0.1
80.97410	0.1
81.07069	0.1
82.81188	0.1
83.29085	0.1
86.09695	30.3
87.09532	0.1
87.10029	0.3
91.05476	0.2
93.07004	0.1
94.91261	0.1
95.08604	0.1
98.98448	3.1
104.10726	2.2
105.07027	0.2
107.08578	0.1
108.28102	0.1
116.53453	0.1
116.99462	0.1
124.99986	20.5
126.00343	0.2
139.53934	0.1
143.01045	0.3
143.08449	0.1
164.67245	0.1
166.02670	0.1
167.33929	0.1
184.07317	100.0
185.07664	1.2
498.29510	0.1
516.30585	0.2
636.90271	0.1
774.50562	4.5
775.50934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	0.4
59.07393	0.2
60.08159	7.0
67.05505	0.3
68.11594	0.1
68.92590	0.1
69.07066	0.1
71.07368	3.6
71.48919	0.1
71.51704	0.2
75.38290	0.1
79.05477	0.2
81.07055	0.2
86.09700	33.2
87.10031	0.3
91.05476	0.4
93.07038	0.3
95.08600	0.1
98.98463	3.7
104.10732	3.1
105.07041	0.3
107.04969	0.2
107.08575	0.1
109.10153	0.1
116.99487	0.1
119.08577	0.2
124.99991	22.2
126.00342	0.2
131.08545	0.1
133.10172	0.2
138.40529	0.1
143.01048	0.5
166.02611	0.2
184.07324	100.0
185.07686	0.9
270.36700	0.1
328.01816	0.1
516.30786	0.2
551.60034	0.1
760.91705	0.1
790.50079	5.0
791.49561	0.2
808.49774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	2.3
57.03435	23.8
57.07067	6.4
57.75209	1.7
59.04991	5.0
60.08146	6.7
61.02923	3.6
65.03936	3.4
65.73642	1.5
66.91036	1.6
67.05501	95.3
68.05839	1.7
68.47620	1.8
69.03438	13.1
69.07064	23.8
70.87081	4.6
70.87425	1.5
71.04989	12.8
71.07374	4.2
71.08633	11.1
73.02906	4.4
79.05489	72.3
81.03412	100.0
81.07051	90.9
83.04967	18.7
83.08614	37.5
85.02888	7.0
85.06538	5.9
86.09700	24.8
87.04451	3.1
87.10069	1.8
89.06024	4.7
91.05476	72.8
92.05791	1.9
93.07040	75.5
95.04958	44.6
95.08598	46.3
96.74800	1.6
97.02902	8.0
97.06519	14.2
97.10155	18.8
98.98474	2.2
99.04440	3.6
99.08084	9.7
105.07026	46.7
107.04947	14.1
107.07877	3.1
107.08584	40.9
109.02840	3.9
109.06521	8.3
109.10153	26.9
109.10862	3.1
111.04422	5.0
111.08083	11.0
115.05449	4.2
117.07022	19.7
119.04929	2.7
119.08572	34.7
121.06488	9.0
121.09341	2.6
121.10141	25.8
123.04430	1.9
123.08060	7.3
123.11698	6.7
123.58350	1.7
125.00007	19.4
125.09590	13.6
127.03897	4.1
128.06195	3.1
129.05458	5.7
129.06982	18.9
131.08549	38.1
133.06480	5.7
133.08621	3.0
133.10109	18.6
133.97804	1.6
135.08043	5.6
135.11676	16.3
137.09604	6.6
137.13254	4.8
139.11186	1.8
140.95427	1.8
141.06920	2.6
142.07837	4.0
143.08521	9.6
143.10649	1.9
145.04932	2.0
145.06459	2.1
145.10117	20.0
147.08031	7.4
147.11690	14.0
149.09602	8.7
149.13248	13.2
149.50763	1.7
151.11185	8.7
155.08546	5.7
155.10625	1.8
157.10138	17.5
159.08009	4.4
159.11671	11.3
161.13217	10.1
163.11168	9.7
163.14775	2.6
165.12755	5.1
167.10661	2.1
169.10126	5.7
169.12282	2.1
171.08040	2.6
171.11685	4.8
173.09692	2.1
173.11682	4.8
173.13248	6.7
175.11186	13.8
175.14847	4.7
177.12776	5.9
179.14323	3.1
181.10138	2.9
183.11700	3.9
184.07329	82.7
185.13248	6.7
187.14864	3.7
189.11172	8.4
189.12714	3.5
193.04930	2.0
193.12230	27.2
195.11671	1.7
195.13823	4.2
197.13332	3.9
199.14784	6.2
201.12744	2.6
207.13760	3.5
209.13240	2.3
211.13255	6.4
213.12675	2.2
217.15825	3.5
225.16548	2.3
227.12758	15.7
227.20079	6.9
229.14252	10.7
237.16280	2.0
243.21010	3.2
249.14763	3.1
259.20700	2.3
261.22113	6.4
267.15891	66.4
269.17465	17.5
275.20053	3.1
277.21713	8.0
301.25204	3.9
315.23019	2.2
335.25815	8.4
341.24854	4.3
351.25235	6.0
369.24173	8.1
387.25223	5.4
405.26416	5.3
407.24603	2.6
421.25818	16.6
423.27090	2.6
433.29843	1.9
435.27356	3.6
435.32501	7.5
437.24539	2.0
437.29758	2.8
443.27838	6.3
453.33618	6.1
461.28906	46.0
462.29135	2.2
471.34366	4.0
475.30444	2.1
493.31677	8.4
509.36160	4.1
515.37836	1.9
527.37238	42.0
528.12463	2.1
543.36835	9.4
545.38318	72.9
546.38306	3.4
559.39819	8.0
577.40814	14.8
653.27991	1.9
722.31769	7.6
808.38318	14.1
809.39771	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	808.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	21.8
57.07069	3.9
59.04980	3.3
60.37574	1.1
61.02912	5.1
65.03923	4.8
67.05502	100.0
67.28867	1.2
68.05851	1.2
69.03433	11.0
69.07063	40.4
71.04984	10.5
71.51628	1.8
73.02911	4.6
79.05490	61.7
81.02930	2.1
81.03416	48.6
81.07055	82.6
82.04189	3.4
82.07368	1.9
82.13142	1.5
83.04980	23.7
83.08615	27.6
85.02901	18.6
85.06531	4.7
86.09706	2.3
87.04456	1.6
91.05476	62.0
92.05775	1.7
93.07040	52.9
95.04963	27.4
95.08601	39.5
97.02911	5.9
97.06528	20.4
97.10173	16.7
98.07301	3.0
99.04474	1.8
99.08096	3.0
103.05421	1.6
105.06307	2.4
105.07022	45.2
107.04951	17.8
107.07890	2.1
107.08592	35.1
108.08915	1.4
109.02886	2.7
109.06515	13.1
109.10148	48.9
110.79535	1.2
111.04409	3.7
111.08068	11.8
113.05981	2.2
115.05430	4.2
116.04692	7.8
117.07017	12.6
119.08577	38.1
121.06485	5.0
121.10148	17.9
123.04424	2.1
123.08065	9.2
123.11684	4.3
125.05983	1.4
125.09627	15.5
127.03908	2.0
127.07609	1.4
127.11203	1.6
129.05482	18.1
129.06972	14.3
131.04913	1.5
131.08557	23.6
133.06494	3.4
133.10127	28.3
135.08038	5.4
135.11691	8.3
137.05963	3.1
137.09599	10.3
139.11180	2.1
141.07027	1.5
141.09114	1.3
142.07780	3.2
143.07050	3.3
143.08537	4.3
143.10619	1.9
145.06442	1.5
145.10094	14.1
147.08029	4.4
147.11711	19.9
149.09601	17.2
149.13222	7.4
151.11183	3.0
153.09111	2.9
153.12791	2.0
155.08530	1.9
155.10663	3.5
157.08592	9.0
157.10109	12.9
159.11714	11.0
161.09697	1.6
161.13245	2.7
163.11186	9.1
165.09026	1.9
165.12735	4.3
167.03453	1.4
169.10097	2.8
171.06520	1.7
171.10176	3.3
171.11542	2.7
173.09534	1.6
173.11711	15.1
173.13281	3.2
175.11159	10.7
177.12718	4.1
179.14352	2.3
183.11757	1.7
184.07288	3.9
187.11017	1.6
189.11235	6.9
191.10660	2.0
193.12236	31.4
195.13741	3.9
197.13312	1.3
199.09546	1.6
199.13179	6.0
200.14105	1.4
203.02028	1.3
209.11726	3.5
211.13269	32.2
227.12735	9.6
229.14322	22.7
241.14340	1.7
247.20512	2.1
249.14735	1.6
255.15710	1.6
257.18942	3.9
267.15842	16.3
269.17438	10.0
273.18503	2.2
275.20068	19.6
283.15326	7.3
285.16904	19.2
291.19489	3.7
293.21198	2.6
301.16409	29.4
301.19650	2.2
303.04892	1.4
349.23746	19.5
365.23138	2.4
367.24515	3.4
371.24319	3.0
374.35220	1.2
383.24323	5.9
411.27563	1.7
421.25653	7.3
423.27307	3.7
438.25955	1.6
439.26923	19.2
455.26456	9.1
461.28836	5.7
463.30786	1.6
477.28513	3.1
478.29581	1.6
479.29858	10.9
495.29523	9.5
541.35181	6.6
559.36230	12.3
565.29865	1.6
575.35651	12.7
577.37219	3.6
583.30548	2.0
593.36768	8.7
663.07788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
60.08157	6.8
65.51933	1.8
67.05499	23.6
69.07070	13.0
71.30363	4.5
79.05486	21.9
81.03410	2.5
81.07056	27.2
83.04987	3.4
83.08616	4.8
86.09704	26.5
91.05485	20.4
92.71096	1.8
93.07041	18.4
95.01309	3.3
95.04949	3.7
95.08611	18.5
97.06509	7.0
98.98469	2.9
104.10725	2.5
105.07031	30.9
107.04965	5.3
107.08589	7.8
107.52697	2.0
109.10144	6.1
117.07008	8.1
119.08578	14.4
119.35140	1.9
121.10140	4.4
123.08067	1.9
124.99995	13.1
130.62643	2.1
131.08578	6.6
133.10101	13.0
135.11685	3.3
145.10141	5.1
147.11691	6.2
149.09563	1.9
155.08543	2.2
159.11650	3.0
163.77393	1.7
173.13235	2.0
177.12685	1.9
179.14279	4.0
184.07343	100.0
275.20062	23.9
335.25827	40.1
349.23676	8.6
609.45123	64.3
610.45105	2.8
706.88879	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
57.07058	0.1
58.06629	0.4
59.07399	0.1
60.08162	6.6
67.05502	0.3
68.88727	0.1
69.07054	0.2
69.30815	0.6
69.31223	0.1
70.06612	0.1
71.07372	3.8
71.07765	0.2
71.08629	0.1
79.05476	0.2
81.07049	0.3
86.09703	32.6
87.10041	0.2
91.05482	0.2
93.07034	0.2
93.74187	0.1
95.08582	0.2
95.12787	0.1
98.98460	3.4
104.10743	3.1
107.08571	0.1
109.10218	0.1
116.99485	0.1
118.27771	0.1
119.08593	0.1
124.99998	22.0
126.00375	0.1
133.82437	0.1
143.01035	0.4
144.23058	0.1
166.02625	0.2
184.07333	100.0
185.07703	1.0
185.15369	0.1
185.51321	0.1
296.69559	0.1
478.44800	0.1
492.61411	0.1
496.33408	0.2
650.43829	0.7
690.46899	1.4
716.09692	0.1
752.52197	0.2
770.53467	0.9
774.14117	0.1
775.36761	0.1
788.54205	1.5
806.55438	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	806.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	17.1
57.07074	1.5
58.32143	1.2
59.04983	2.8
61.02911	2.2
65.03932	4.1
67.05502	57.8
69.03423	8.9
69.07066	20.8
70.50726	1.2
71.01342	2.6
71.04972	6.8
71.50886	1.2
71.51286	1.8
73.02928	2.8
79.05490	56.6
81.03414	60.1
81.07050	51.1
83.04974	17.5
83.08616	27.7
85.02909	8.9
85.06537	4.7
86.09708	2.2
87.04525	1.3
91.05477	47.5
92.05839	1.5
93.07040	37.9
93.07624	2.2
95.04961	30.0
95.08602	22.8
96.08939	1.4
97.02892	5.7
97.06525	11.7
97.10163	32.8
99.04405	1.3
99.08073	2.7
103.05463	2.4
105.07025	38.5
106.07351	1.5
107.04965	17.1
107.08594	40.6
107.09319	2.7
109.02885	1.3
109.06528	8.3
109.10147	19.6
111.04391	2.8
111.08064	6.8
115.05426	3.6
117.07017	14.3
117.78694	1.4
119.04929	2.7
119.08570	27.1
119.09364	2.1
121.06498	7.9
121.10138	16.3
123.04412	2.8
123.08054	6.9
123.11692	6.0
124.99989	2.1
125.06015	2.2
125.09628	30.2
127.03857	2.1
128.06221	1.9
129.05487	1.4
129.06989	14.2
131.04904	2.0
131.08554	19.5
133.06476	6.2
133.10126	20.4
135.04448	1.4
135.08072	7.8
135.11673	10.7
137.09596	3.8
139.11189	1.6
141.07018	2.3
142.07800	2.9
143.08537	6.9
143.10645	1.4
145.06511	4.1
145.10106	20.1
147.04411	1.6
147.08049	8.0
147.11668	18.4
149.09619	11.9
149.13255	2.4
150.09914	1.4
151.11159	3.0
153.09096	4.6
153.12738	2.3
155.08568	4.3
157.10100	10.8
159.08060	2.1
159.11653	7.4
161.09619	3.6
161.13231	3.1
163.11188	15.1
165.12790	3.1
169.10129	5.7
171.07951	1.8
171.10225	2.7
171.11684	5.3
173.09602	3.9
173.11858	1.8
173.13292	3.8
173.86693	1.4
175.11194	8.5
177.12807	2.3
181.12270	3.5
183.11685	3.0
184.07338	8.8
185.09718	1.8
185.13243	2.0
187.11177	2.6
187.13315	1.6
187.14885	1.4
189.11197	17.5
189.12714	3.0
191.10699	4.3
193.12242	26.9
197.13254	2.6
199.11195	1.6
209.11652	7.1
211.13264	13.7
211.15089	1.8
219.13812	1.6
223.13298	1.9
227.12766	37.5
229.14241	7.8
229.19402	1.6
231.13766	1.8
233.15373	2.1
243.15961	1.8
245.13715	3.5
249.14851	3.0
253.14372	2.1
255.15808	1.7
257.18994	5.7
265.14365	3.5
267.15903	46.1
269.17459	3.1
273.15042	2.0
273.18378	4.7
275.20035	24.6
283.15274	8.8
284.42819	1.3
285.16895	9.9
291.19492	11.7
293.21167	1.6
297.21902	2.0
299.14801	3.7
299.20245	7.0
301.16620	9.4
313.21661	1.7
315.23190	3.0
317.20978	2.4
349.23706	21.9
355.22705	1.7
355.54395	1.4
363.21365	2.0
365.23300	3.7
373.23849	4.8
385.23566	2.3
397.22284	1.6
419.24457	6.2
421.25974	1.9
431.29340	2.2
437.25461	10.0
439.26819	4.7
445.29385	2.3
447.27612	8.6
449.30035	3.8
455.26254	2.4
457.25790	4.0
459.27426	10.8
467.31772	6.0
469.28098	1.5
475.26474	7.1
477.28378	10.7
485.32608	3.2
489.27875	1.7
493.27905	16.6
511.29138	16.1
523.33820	5.1
541.35229	100.0
542.35388	5.1
559.36249	58.8
560.36646	3.1
563.27869	1.4
573.35565	4.1
575.35620	2.6
582.04138	1.4
591.35944	5.6
609.36078	2.9
667.38428	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	24.1
57.07063	3.3
61.02913	5.8
61.64731	1.9
65.03947	4.5
67.05500	85.5
69.03424	11.2
69.07069	34.5
69.27433	16.6
69.27845	3.3
71.01355	2.7
71.04992	18.0
73.02909	2.4
79.05489	61.3
81.03413	70.2
81.07051	92.8
83.04972	26.4
83.08606	36.1
85.02899	28.6
85.06538	7.7
86.09702	4.9
91.03934	3.2
91.05477	76.9
93.07039	71.9
95.04966	41.2
95.08595	35.9
97.02870	6.6
97.06522	28.0
97.10159	10.7
97.39618	2.1
99.04453	4.0
99.08099	5.1
103.05456	2.8
105.07025	58.5
107.04967	15.4
107.08587	41.4
109.06508	14.0
109.10173	19.9
111.04427	7.3
111.08085	15.4
112.08374	2.4
113.05964	3.8
115.07588	2.2
117.07018	18.2
119.08572	34.9
119.09386	3.3
120.08868	1.9
121.06499	6.6
121.10138	21.6
123.04371	2.1
123.08044	9.1
123.11678	4.3
124.99985	5.1
125.09608	9.2
127.03897	4.9
128.06189	2.7
129.05476	3.0
129.07010	15.9
131.08559	31.7
133.06477	5.0
133.10123	40.6
135.08054	9.2
135.11652	10.6
137.09613	8.4
139.11171	2.2
141.06996	3.7
142.07735	5.8
143.08580	6.4
145.10118	15.5
147.08034	7.7
147.11678	20.8
149.09619	20.1
149.13243	13.4
151.11168	6.1
155.08572	2.6
157.10110	24.0
159.11685	14.0
161.09602	4.5
161.13254	5.1
163.11153	11.6
165.12683	3.3
169.10135	3.6
171.11688	4.9
173.11835	2.7
173.13228	3.9
175.11150	16.7
177.12743	6.1
183.11642	3.4
184.07350	22.5
185.13200	2.6
187.11313	2.6
189.11186	3.0
191.10580	2.1
193.12225	35.4
195.11713	2.7
201.12749	2.5
206.29578	2.2
211.13281	48.5
211.15265	2.7
227.12816	8.7
229.14297	4.0
229.19601	2.7
239.17894	2.8
253.14362	6.1
255.15865	2.4
257.18964	6.6
267.15897	31.3
269.17447	14.5
273.18439	3.2
275.19998	24.9
283.15359	7.3
285.16968	36.5
291.19391	2.7
299.14767	2.5
331.22488	2.6
339.17935	3.5
349.23672	16.1
381.26685	3.0
413.21582	6.8
439.26819	4.6
443.27979	8.3
461.28943	44.0
479.30029	100.0
480.30414	4.0
541.35254	13.0
559.36267	28.8
560.36407	3.9
573.34174	6.5
591.38409	9.4
605.32562	4.3
623.34369	25.5
752.87897	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	806.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	21.8
57.07061	1.8
59.04993	6.0
59.64231	1.3
61.02911	4.3
65.03934	6.8
67.05502	91.6
67.56110	1.3
69.03420	14.0
69.07067	35.5
70.96619	3.3
71.04987	12.6
71.08636	2.6
73.02894	2.7
77.03949	1.4
79.05489	86.7
81.03413	100.0
81.07052	98.9
83.04971	19.7
83.05418	2.3
83.08616	38.4
85.02901	10.2
85.06532	7.6
87.04459	3.8
89.34082	1.3
91.05474	87.4
93.07041	75.1
93.07652	3.2
93.18733	1.5
95.04959	49.4
95.08601	47.8
96.08916	2.2
97.02869	8.5
97.06532	14.9
97.10159	17.5
99.04470	2.3
99.08085	6.7
103.05479	4.1
105.07024	69.3
106.07343	3.7
107.04946	17.6
107.08585	47.1
108.08883	2.0
109.02853	2.1
109.06505	14.2
109.10157	28.0
111.04433	4.3
111.08068	13.2
113.09632	2.6
115.05436	3.8
117.06254	1.9
117.07025	29.8
118.07331	1.7
119.04901	2.1
119.08578	61.6
120.08940	1.6
121.06499	15.5
121.10136	34.3
123.04420	2.4
123.08069	12.0
123.11681	4.9
125.06019	1.7
125.09607	13.1
127.03926	3.9
128.06197	5.5
129.05450	4.4
129.06998	25.2
130.07823	2.0
131.04996	1.7
131.08560	41.7
131.09549	2.5
133.03848	1.5
133.06522	7.8
133.10136	37.7
135.08046	9.2
135.11664	15.3
137.09608	4.6
139.11211	2.2
141.06979	6.7
142.07733	3.8
143.08557	15.1
145.06522	4.0
145.10117	30.8
146.10654	1.3
147.08031	8.2
147.11682	28.6
149.09601	16.0
149.13266	10.3
151.11241	2.8
153.09097	2.4
155.08549	10.5
156.09323	1.4
157.10124	27.5
159.08046	4.6
159.11673	20.2
161.09584	4.2
161.13248	13.7
163.11205	10.3
165.12784	2.8
167.08580	3.4
167.96721	1.5
169.10132	11.0
171.07999	1.9
171.11673	15.1
173.09602	3.3
173.11803	3.7
173.13248	13.5
175.11171	14.0
175.14786	3.0
177.12743	5.4
179.14265	2.3
181.10066	5.6
183.10327	1.9
183.11670	9.8
184.07216	1.6
185.09666	2.0
185.13240	11.1
187.11111	3.5
187.14888	2.5
189.11206	9.6
189.12746	3.4
191.14287	2.2
193.12222	28.0
195.11710	4.3
195.13853	4.6
197.13286	5.4
199.11147	1.7
199.14963	6.9
201.12794	3.0
201.16405	2.8
203.14391	2.6
207.11678	1.7
209.13278	5.3
211.13278	10.2
211.14528	1.7
211.14990	2.6
213.16380	1.7
215.14323	1.8
215.18004	2.1
217.15929	3.9
219.13814	1.6
221.15396	2.0
223.14957	2.1
225.14847	4.8
227.12688	11.3
229.14337	9.4
233.13237	2.0
233.15323	2.3
235.14980	1.8
241.19569	5.8
249.14883	4.8
257.19025	6.9
259.17847	1.8
259.20566	14.6
267.15891	72.5
268.16257	3.4
269.17456	16.1
271.17059	1.7
273.15051	1.7
273.18408	3.6
275.20108	14.7
275.97284	1.7
277.21613	2.5
281.17532	2.1
283.20386	2.2
293.21024	7.1
297.21951	3.6
299.23709	6.4
304.13837	1.5
313.21637	3.1
329.21069	2.4
333.24350	10.4
337.21466	2.0
339.22815	2.0
341.24918	2.2
343.22595	1.9
349.23694	12.6
351.23178	5.8
352.23080	1.5
369.24106	5.9
387.25336	4.4
403.24570	1.9
405.26492	2.8
417.26379	2.1
421.25763	9.6
423.27133	2.1
431.28214	2.2
433.30930	5.3
435.27350	6.6
437.29218	2.0
443.27957	9.4
447.27246	4.0
449.29993	2.5
451.31824	5.1
461.28955	35.8
462.29730	2.2
469.33182	3.4
473.28888	2.8
477.28198	2.1
493.31583	10.1
507.34570	3.1
525.35815	29.7
526.35132	2.8
541.35303	13.3
542.35840	1.8
543.36792	64.2
544.36945	7.2
557.38043	6.8
559.35992	5.9
575.39185	7.3
611.47107	1.8
626.44629	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	806.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	24.0
57.07069	5.1
59.04995	2.8
61.02925	5.5
65.03944	3.0
67.05503	92.7
69.03422	11.3
69.07069	31.7
71.04983	19.6
71.31342	3.9
73.02899	3.0
77.57449	2.1
79.05017	2.5
79.05492	73.3
81.03416	80.0
81.07053	100.0
82.03751	2.2
83.04975	29.1
83.08617	37.0
83.98396	1.7
85.02904	33.6
85.03384	3.2
85.06536	6.8
87.04498	2.9
91.03963	1.9
91.04903	3.8
91.05476	74.1
93.07040	65.0
94.32899	2.0
95.04962	42.2
95.08605	33.2
97.02898	11.4
97.06526	24.7
97.10165	16.5
99.04445	3.6
99.08102	3.9
105.04526	2.3
105.07033	48.3
107.04954	22.1
107.08588	35.5
109.02872	2.9
109.06509	20.9
109.10147	29.2
109.34245	1.5
111.04440	7.0
111.08070	17.4
113.06010	4.4
115.05452	5.1
116.04730	4.2
117.07025	19.9
119.04927	2.5
119.08577	48.4
121.02744	1.6
121.06494	12.6
121.10143	27.2
123.04424	2.9
123.08067	15.3
123.11743	5.5
125.09611	18.1
127.03907	4.1
128.06174	3.6
129.05479	7.7
129.06985	18.0
130.07719	2.2
131.08562	30.1
133.06500	8.0
133.10123	31.1
135.08031	16.3
135.11679	13.3
137.06015	2.1
137.09622	10.2
139.11195	1.8
142.07748	5.0
143.07037	2.9
143.08588	7.0
145.06509	4.9
145.10107	17.2
147.08038	6.6
147.11673	23.7
149.09625	19.4
149.13249	13.4
151.07550	2.6
151.11156	3.5
153.09088	5.2
153.12724	3.2
155.08569	2.2
157.08884	3.1
157.10103	18.3
159.08003	2.2
159.11664	8.3
161.09636	6.2
161.13271	4.7
163.11186	13.8
165.09164	3.4
165.12776	4.5
169.10141	3.9
171.10223	2.0
171.11659	2.1
173.04430	1.7
173.05956	1.9
173.09566	4.3
173.11725	9.0
173.13123	2.8
175.11194	17.5
176.11649	2.2
177.12729	5.3
179.10724	1.8
179.14209	3.0
181.10086	1.6
181.12244	2.7
181.47084	1.6
183.11751	4.7
184.07347	6.8
185.13235	3.1
187.11192	3.0
189.11237	8.5
189.12709	2.4
191.10616	3.7
193.12245	48.8
195.13811	4.4
199.11208	2.1
199.13348	4.0
201.12675	2.3
203.14316	2.1
208.31480	1.8
209.11713	1.9
211.13275	56.0
217.15894	2.5
225.09238	1.9
227.12764	17.1
229.14278	15.0
245.18976	3.4
249.14737	3.3
257.19012	5.7
267.15894	32.4
268.16306	2.9
269.17493	11.7
273.18500	14.9
275.19971	20.4
283.15454	5.1
285.16937	50.5
289.18176	3.0
291.19498	20.6
293.21024	2.4
301.16498	13.9
309.20221	2.1
331.22836	2.9
347.22150	6.3
349.23688	15.3
365.23190	9.8
383.24237	4.6
395.20807	1.9
399.23712	2.9
413.21579	7.7
421.25974	5.9
439.26871	27.5
443.28101	3.6
452.06204	1.8
461.28998	35.7
479.30051	85.7
480.30380	2.7
541.35486	11.7
557.34644	7.2
559.36224	27.6
569.31128	1.8
573.33667	4.0
575.35522	4.4
587.31561	2.2
591.37579	10.7
605.33490	4.0
609.36298	12.8
623.34033	23.7
740.73120	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	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	27.0
57.07066	2.0
58.93508	1.4
59.04989	4.2
61.02922	6.4
61.03175	1.3
65.03920	4.0
67.05500	100.0
68.05845	1.6
69.03419	9.5
69.07060	19.0
71.01322	1.9
71.04981	7.8
71.51807	2.3
73.02882	3.2
79.05488	50.7
80.70522	1.1
81.03414	68.8
81.07050	52.0
83.04974	25.3
83.08160	2.0
83.08615	28.5
85.02899	31.4
85.06525	4.8
86.09677	1.9
87.04446	4.9
91.05473	50.6
93.07035	36.7
95.04965	28.3
95.08601	24.5
97.02885	7.6
97.06509	6.9
97.10168	16.5
99.04414	1.5
99.08069	3.6
103.03912	1.9
103.05434	2.0
105.04525	1.4
105.07021	31.5
106.07346	1.7
107.04926	10.4
107.08587	19.8
108.72697	1.2
109.06509	8.6
109.10149	55.8
111.04419	5.0
111.08064	13.3
113.05968	3.3
115.05443	3.4
116.06196	1.2
117.07008	8.6
119.04964	1.5
119.08571	31.5
120.08942	1.2
121.06487	4.5
121.10140	15.1
123.08084	6.7
123.11658	2.7
125.05909	1.6
125.09631	12.7
128.06242	1.2
129.05461	3.3
129.06978	11.5
131.08542	15.6
133.06436	3.6
133.10129	17.5
135.11681	6.1
137.09589	4.7
142.07808	2.8
143.08559	1.7
143.10677	1.8
145.10110	8.0
147.08023	5.2
147.11678	16.5
149.09563	7.1
151.11217	2.0
153.12727	2.9
155.08559	1.3
155.10602	3.3
157.10100	14.9
159.11613	2.2
161.09618	1.3
163.11156	10.3
165.12779	2.3
173.09468	1.5
173.11734	17.3
175.11177	14.7
181.12192	1.6
184.07335	6.8
189.11253	1.3
191.10614	3.6
193.12234	54.8
199.13326	5.5
199.92680	1.3
209.11748	4.2
211.13261	68.0
227.12781	8.0
229.14343	46.2
249.14960	1.6
253.14359	1.5
267.15887	26.5
273.18607	1.5
283.15350	3.8
285.16937	49.0
293.21121	1.9
301.16418	10.7
335.25674	1.9
347.22687	1.3
391.24518	1.6
399.23724	16.5
399.31876	1.4
409.25797	3.5
421.25745	13.1
427.27243	1.6
439.26865	36.9
493.27890	4.9
511.28970	6.5
529.30072	1.4
559.35638	3.1
591.34955	3.9
609.36310	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	805.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	3.6
57.03438	23.4
60.08160	7.4
65.03931	4.3
67.05505	88.5
69.07060	15.8
69.24899	36.5
70.91370	3.5
71.07359	4.3
79.05496	51.4
81.03423	5.9
81.07056	58.7
83.08596	7.9
85.06536	11.3
86.09708	31.1
87.10020	6.2
91.05486	38.1
93.07046	48.0
95.04960	56.5
95.08605	37.4
97.06506	7.0
105.07034	25.4
107.04941	11.6
107.08591	25.1
109.06508	63.1
109.10139	14.2
111.08052	5.2
113.06001	31.5
116.06243	3.8
117.07024	12.3
119.08565	14.6
121.06505	7.2
121.10121	15.2
123.11702	6.7
123.54199	3.5
124.99981	22.6
129.06972	8.7
131.08543	28.7
133.06493	4.9
133.10120	9.4
135.08043	47.5
135.11667	14.3
143.08543	14.2
145.10115	14.6
147.08101	5.6
147.11649	8.7
149.09605	5.3
149.13322	6.6
157.10106	6.7
159.11670	10.2
160.69421	3.6
161.09608	7.6
166.17551	3.8
184.07332	93.6
185.07709	12.5
202.10922	3.9
217.16005	9.1
273.18469	40.5
291.19543	100.0
301.57074	3.7
309.20706	4.3
322.64270	3.4
335.25775	88.5
347.22141	8.1
365.23135	16.4
379.29202	4.1
402.99173	3.6
413.12198	3.8
497.83319	4.0
523.22357	3.7
579.36945	28.3
607.43335	15.0
625.44641	71.1
805.37738	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	806.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	23.9
57.07071	4.1
59.04991	3.2
61.02934	8.8
63.05929	1.5
65.03928	5.5
65.77483	1.4
66.04681	1.4
67.05502	100.0
69.03431	14.6
69.07065	59.1
70.04211	2.1
70.41260	2.4
70.41650	2.8
71.01350	3.8
71.04993	9.8
73.02927	6.7
75.19004	1.4
77.30198	1.3
78.04700	1.2
79.05489	70.4
81.03416	32.7
81.07051	70.2
81.07539	2.7
82.03755	1.8
82.04195	5.5
83.04977	20.8
83.08618	18.9
84.05783	1.3
85.02896	13.9
85.06535	5.8
86.09690	3.9
87.04456	2.4
89.59933	1.3
91.03954	2.9
91.05479	68.2
93.07041	55.1
94.04191	2.4
95.04964	33.0
95.08608	43.4
96.04531	1.2
97.02885	10.4
97.06526	25.0
97.10162	19.6
97.15456	1.2
98.07307	6.3
99.04451	1.8
99.08111	2.5
101.06030	1.7
103.05445	1.9
105.04529	2.1
105.07024	48.4
107.04944	14.1
107.08590	33.6
108.05743	1.6
109.02888	2.6
109.06490	9.2
109.10153	48.2
110.07342	1.2
111.04469	2.6
111.08070	10.1
113.05989	2.2
115.03963	1.5
115.05393	1.5
116.04725	9.4
117.07022	18.7
119.08580	37.3
121.06517	6.3
121.10147	14.0
123.04420	1.8
123.08068	11.3
123.11691	4.7
124.99955	2.1
125.09625	21.1
127.03884	1.9
128.06175	1.8
129.05467	24.8
129.06964	10.0
130.07835	1.7
131.08563	22.4
133.06459	3.5
133.10127	26.6
135.08054	8.6
135.11678	14.5
136.08842	2.0
137.09605	13.4
139.07484	1.5
141.06970	2.3
141.09114	1.6
142.07753	1.7
143.07010	6.4
143.08524	5.0
145.06511	2.7
145.10110	18.5
147.08061	4.3
147.11694	16.3
149.09613	23.0
149.13246	4.6
151.11162	4.5
153.09184	1.9
155.08557	3.3
155.10701	2.4
157.08606	12.7
157.10120	8.1
158.05811	2.0
159.11710	11.3
161.09665	3.7
161.13254	6.6
163.11166	11.9
165.12808	1.9
169.10152	2.1
171.06557	2.2
171.10162	5.2
171.11690	3.7
173.09560	1.7
173.11731	12.8
173.13271	5.5
175.11189	7.2
177.12730	3.0
179.14305	3.7
183.11624	2.9
184.07347	11.8
185.08005	1.5
185.11671	1.7
185.13240	1.7
187.11142	3.2
189.11243	5.6
191.10594	1.4
193.12218	11.2
195.13660	1.9
197.13298	2.1
199.13284	7.1
199.14885	1.8
209.11774	4.8
210.12524	2.8
211.13208	6.5
213.11172	1.5
223.13301	2.8
225.11198	2.4
227.12714	8.2
229.14320	15.0
229.19394	1.8
239.18083	1.6
243.16083	2.3
247.20604	2.8
253.14368	4.4
255.15942	5.1
257.18982	6.1
259.20618	1.9
267.15927	9.8
273.18558	4.4
275.20032	28.0
275.22809	2.1
283.15384	4.3
285.16953	6.3
291.19534	8.2
293.21127	3.5
299.14822	2.3
301.16446	43.4
331.22546	1.8
333.24341	1.5
349.23764	28.6
350.23883	1.5
365.23294	3.1
367.24841	1.5
397.22287	4.7
421.25668	1.7
439.26907	1.8
455.26431	5.3
469.28168	2.4
479.29858	4.8
495.29221	1.8
525.58221	1.4
541.34985	3.9
557.34460	2.1
559.36230	3.6
575.35809	25.0
576.35785	1.6
593.36584	4.1
609.36725	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
57.07058	0.2
58.06583	1.4
59.07374	1.0
60.08163	5.6
67.05527	0.2
69.07049	0.2
69.27274	1.3
69.27678	0.3
70.52258	0.1
71.07368	3.0
74.82194	0.2
79.05524	0.2
81.07040	0.2
86.09705	26.0
88.88841	0.1
98.98466	2.2
104.10740	3.5
113.43407	0.1
125.00002	16.3
143.01065	0.2
144.42856	0.1
163.01553	0.2
166.02557	0.2
184.07338	100.0
185.07657	0.7
222.08871	1.0
224.10471	0.2
238.08449	0.2
240.09987	0.1
252.09967	0.2
282.11096	0.2
373.11221	0.2
379.65659	0.2
550.34650	0.5
569.33478	0.2
622.63599	0.2
650.43250	0.6
700.44989	0.6
718.45764	0.4
728.66437	0.1
770.52936	0.3
786.51355	0.2
804.54150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
57.07075	0.1
57.75760	0.1
58.06623	0.6
59.07397	0.3
60.08163	6.9
67.05500	0.1
67.79156	0.1
69.07091	0.1
71.07370	3.8
79.05517	0.1
80.97483	0.1
81.07042	0.2
86.09705	32.2
87.10017	0.3
91.05470	0.2
91.32639	0.1
93.03075	0.1
95.08578	0.1
98.20775	0.2
98.98460	3.2
104.10740	2.7
107.08556	0.1
109.10233	0.1
116.99460	0.1
125.00001	21.3
130.72765	0.1
143.01041	0.4
166.02621	0.3
184.07338	100.0
185.07706	0.8
222.08885	0.2
222.65273	0.1
496.33676	0.1
514.12946	0.1
660.65363	0.1
676.45490	2.2
700.44421	0.3
718.46539	0.1
786.52399	0.4
804.53906	2.3
805.52289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.4
57.07066	1.2
59.04993	1.0
59.57126	0.6
61.02918	1.3
65.03928	2.4
67.05503	40.2
68.05853	1.0
68.23209	0.7
68.99768	0.6
69.03425	8.9
69.07066	25.5
71.01357	0.7
71.04987	4.0
72.66875	0.6
73.02887	1.0
79.05491	33.3
80.05809	0.7
81.03416	70.5
81.07053	32.7
81.07536	1.5
81.28630	0.6
82.03739	1.1
82.07376	1.1
83.04974	8.8
83.08616	21.5
85.02898	2.8
85.06536	2.1
86.09694	1.2
91.05479	34.5
93.07042	26.5
93.07636	1.1
94.07353	1.3
95.01310	0.8
95.04966	27.9
95.05576	1.4
95.08610	12.9
96.05299	0.9
97.02884	10.1
97.06528	5.7
97.10165	15.3
99.04455	0.7
99.08083	1.4
103.05457	1.0
105.04461	0.6
105.07024	24.4
107.04953	13.0
107.08588	17.3
109.02894	1.0
109.06502	6.5
109.10151	9.7
111.04448	2.5
111.08083	5.5
113.05993	0.8
115.05460	2.0
117.07028	11.1
119.04928	2.2
119.08584	24.2
121.06497	6.1
121.10142	9.3
123.04409	1.7
123.08052	5.0
123.11687	1.8
125.06067	0.8
125.09625	11.0
127.03893	1.0
128.06207	1.5
129.06996	11.2
130.07773	1.3
131.08560	14.5
132.08894	0.6
133.06496	5.7
133.10115	10.1
134.07222	0.9
135.08055	5.5
135.11681	3.8
137.06006	0.8
137.09636	2.9
141.06964	1.5
142.07750	3.3
143.08545	4.1
143.10791	0.7
145.06459	1.8
145.10115	8.7
147.08061	6.9
147.11691	9.0
149.09583	7.6
149.13251	2.9
151.07565	0.8
151.11212	1.4
153.09067	1.0
155.08530	1.8
157.10101	10.0
159.08032	1.6
159.11746	3.2
161.09630	2.8
161.13284	1.2
163.11148	4.8
165.09106	1.5
165.12773	1.7
169.10103	1.3
171.10197	1.4
171.11682	1.8
173.04480	0.7
173.09543	1.7
173.11858	0.9
173.13269	2.1
175.11194	7.6
177.12776	2.2
179.14291	0.6
183.11792	0.8
184.07294	3.6
185.13260	2.0
187.11198	1.4
189.11234	4.4
189.12697	0.9
191.10684	1.3
191.14307	1.2
193.10464	0.9
193.12238	15.3
195.13835	1.4
197.13316	0.9
201.12691	1.1
203.10626	0.7
205.12256	2.4
209.11607	1.0
211.13297	1.7
219.13736	3.7
223.13275	17.4
227.12762	7.1
229.14301	1.3
245.13739	0.8
245.19086	1.1
249.14833	4.5
253.14351	2.6
259.15494	0.7
259.20810	1.0
263.20178	0.8
267.15912	76.8
268.16278	1.3
269.17557	1.1
271.77179	0.7
273.15305	1.1
273.18436	9.8
275.20126	2.5
276.20432	1.2
283.15466	2.8
291.19534	76.8
292.19666	0.9
298.98834	0.6
309.20557	0.7
313.21686	2.2
315.18362	0.6
347.22131	2.0
349.23685	1.6
365.23221	46.0
366.23642	1.1
367.22668	1.0
385.23550	1.2
389.23145	0.8
403.24564	0.7
419.23996	0.6
437.25558	1.7
445.25778	4.9
459.27417	5.8
463.26740	1.3
465.29898	1.4
467.88696	0.7
476.30734	1.3
477.28308	4.0
483.31152	2.2
501.32202	0.8
509.31485	1.2
527.37079	2.0
529.35083	1.5
539.33624	6.7
557.34711	100.0
558.34967	3.0
560.37378	0.8
575.35907	2.0
599.35480	0.9
609.45020	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	803.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	18.8
57.07078	7.2
61.02915	10.3
65.03929	6.7
67.05503	100.0
68.11578	3.3
69.03422	25.9
69.07065	40.6
71.04990	11.6
71.08633	3.6
73.02901	5.9
79.05490	74.6
81.03417	35.7
81.06593	6.2
81.07051	93.6
83.04967	20.2
83.08606	18.0
85.02896	19.9
85.06554	4.7
87.41982	3.5
91.03968	3.7
91.05472	80.5
91.49462	2.7
93.06491	5.3
93.07040	75.2
95.04964	22.8
95.08604	58.1
97.02895	13.7
97.06535	30.7
97.10181	11.9
99.04449	4.0
99.08072	6.7
103.05482	4.2
105.07027	77.0
105.37069	3.4
107.04951	20.8
107.07967	5.2
107.08597	44.6
109.02905	7.3
109.06516	13.0
109.10155	31.2
111.08078	12.7
115.05431	6.7
117.07024	28.9
119.08575	53.9
121.06500	11.6
121.10135	26.9
123.04403	3.9
123.08070	12.8
123.11735	8.6
125.09631	9.0
127.03896	7.5
128.06180	7.2
129.05479	7.0
129.07024	19.7
131.08575	40.0
133.06491	9.1
133.10115	50.2
135.08054	12.2
135.11690	17.7
137.09618	6.1
139.07561	5.1
141.06984	7.6
142.07814	5.0
143.08548	20.1
145.06482	5.2
145.10097	35.7
147.08060	9.6
147.11678	29.8
149.09636	13.9
149.13272	10.1
151.11201	9.9
153.09061	3.8
155.08519	18.1
157.10098	21.5
159.08078	6.6
159.11690	26.3
161.09622	6.6
161.13272	10.4
163.11186	10.1
167.08574	5.5
168.09328	4.7
169.10156	15.3
171.08101	4.8
171.11633	20.8
173.04475	9.3
173.09691	5.1
173.13264	14.3
175.11159	8.0
175.14825	5.6
179.08534	3.9
179.14325	5.5
181.04930	5.1
181.10144	13.3
183.08023	4.3
183.11668	9.8
184.07373	8.5
185.13242	14.9
187.11227	5.0
187.14799	7.3
193.10153	5.7
195.11707	6.7
197.13292	14.3
199.14839	9.6
201.12772	6.0
207.11804	5.0
209.13329	7.3
211.14760	7.7
213.16377	3.9
215.95612	3.1
223.14937	3.6
227.12764	7.8
229.34485	3.3
239.18036	5.5
253.14394	9.8
257.19012	7.7
259.20670	9.7
269.17542	7.5
273.18488	10.4
275.20053	39.4
279.64471	3.5
291.19302	8.0
293.21161	6.0
333.24225	9.8
347.22327	4.0
349.23730	25.7
365.23230	14.7
389.28241	3.4
409.31094	5.9
487.34341	20.8
501.35483	12.8
511.34167	6.1
513.35864	6.1
525.35767	11.4
527.38000	3.9
529.35339	6.7
531.37817	6.0
543.36792	16.3
549.39301	5.9
605.41772	14.2
623.42932	55.5
641.44135	26.9
687.86633	4.3
785.48364	5.7
803.48730	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	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04781	2.9
57.03426	10.1
61.59004	3.2
62.92997	3.4
65.03934	5.7
67.05502	51.0
69.03416	14.5
69.07071	39.7
70.56530	4.6
70.56889	10.3
71.04980	5.1
71.08620	3.4
79.05493	45.3
81.03437	22.6
81.07053	59.9
83.04971	15.1
83.08619	8.0
85.02879	4.7
86.09697	7.9
91.05479	54.1
93.07037	42.0
95.01317	8.3
95.04957	14.6
95.08602	31.0
97.02867	7.3
97.05927	6.4
97.06527	75.8
97.10184	7.8
99.04401	3.1
105.07030	67.6
107.04941	19.4
107.08599	23.8
109.02868	4.2
109.06526	10.2
109.10139	16.4
111.08068	3.5
117.07012	19.1
119.08582	42.9
121.06496	7.8
121.10130	10.0
123.04456	4.8
123.08072	6.6
125.00005	7.3
125.09602	7.3
127.03888	3.3
129.06982	4.2
131.08557	26.0
133.10136	39.9
135.08049	6.0
135.11673	12.5
137.09673	4.6
141.07036	3.5
143.08658	3.8
145.10135	22.6
147.11662	17.0
148.92346	3.2
149.09615	13.4
149.13271	9.9
155.08600	5.3
157.10080	6.1
159.11691	13.2
161.13261	6.9
163.11185	12.3
171.11694	7.4
173.13223	4.4
175.11215	4.4
177.12747	4.3
179.14272	13.5
183.11703	3.5
184.07318	33.0
185.07678	5.0
185.13316	4.0
227.12825	5.6
247.20604	7.1
257.18954	13.5
269.17224	4.7
275.20071	100.0
277.21481	5.0
293.21124	5.3
333.24335	5.5
349.23737	60.9
413.21924	5.3
527.36865	3.4
543.36890	27.3
620.52332	3.4
623.43085	31.4
687.40533	6.6
821.05249	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	803.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.3
57.07051	3.3
59.04980	2.1
61.02908	6.4
61.48414	1.6
65.03935	7.9
67.05501	89.8
68.05827	2.5
69.03422	22.9
69.07063	40.7
71.01329	2.8
71.04995	11.9
71.08613	2.8
71.51188	2.6
73.02900	3.3
79.05489	83.3
79.13414	1.5
80.05830	2.7
81.03415	39.8
81.07051	100.0
82.07378	1.8
83.04979	20.2
83.08617	21.7
84.08939	1.6
84.39152	1.5
85.02903	16.3
85.06526	6.1
86.09699	3.1
87.04464	2.5
89.89008	1.6
91.03940	3.7
91.05475	74.8
92.05801	1.8
93.07040	74.5
94.07329	2.9
95.01313	1.9
95.04955	21.0
95.08601	57.4
96.08916	1.7
97.02878	20.0
97.06527	30.4
97.10155	14.2
99.04436	5.5
99.08089	6.0
103.05429	3.5
105.04515	2.6
105.06312	3.6
105.07024	75.1
106.94242	1.7
107.04951	19.9
107.07887	3.1
107.08587	58.0
109.02883	8.0
109.06532	13.8
109.10152	31.0
111.04415	4.8
111.08060	7.8
115.05423	5.7
116.06265	1.9
117.07013	29.7
119.08572	52.0
119.88298	1.6
121.06507	12.0
121.07243	1.8
121.10131	33.1
123.04385	2.7
123.08070	10.1
123.11672	6.1
124.99969	3.2
125.09604	15.4
127.03902	10.6
127.07534	1.8
128.06226	4.1
129.05484	4.6
129.06972	17.6
131.04901	3.4
131.08559	36.0
132.08955	2.9
133.06465	7.5
133.10126	38.4
135.08057	13.7
135.11673	15.0
137.09587	9.9
139.11124	2.7
141.06958	6.1
142.07742	5.3
143.08545	17.6
145.06433	5.0
145.09056	3.1
145.10109	34.4
147.04224	1.7
147.08025	7.3
147.11674	26.4
149.05951	2.4
149.09625	21.4
149.13251	10.1
151.11166	8.7
153.08995	1.9
155.08504	7.2
157.10130	17.7
159.08035	4.9
159.11668	24.1
161.09654	4.5
161.13254	7.6
163.11165	14.9
165.09128	3.3
165.12808	3.9
167.08527	3.6
167.10722	2.2
169.10109	9.7
169.12323	1.8
171.08095	1.6
171.10364	2.5
171.11682	13.4
173.04520	9.9
173.09610	5.3
173.11801	3.7
173.13261	13.4
175.11169	5.3
175.14902	2.6
177.12717	6.3
179.14328	3.9
181.04865	2.7
181.10156	4.6
183.08034	2.3
183.11731	10.6
184.07304	14.8
185.09624	2.2
185.13210	6.2
187.11201	3.7
187.14786	3.9
189.11176	7.6
189.12775	4.9
189.16422	2.3
191.10588	2.3
193.10208	2.4
195.11667	5.0
195.13618	2.0
197.09633	2.6
197.13287	9.1
199.11195	3.3
199.14766	3.4
201.12680	3.0
201.16319	2.1
203.10692	2.4
203.14253	2.7
205.12262	3.6
207.11771	3.2
209.13280	3.0
211.11264	2.0
211.14774	2.9
213.12744	3.5
213.16454	1.9
215.14230	2.4
215.17929	2.4
217.15874	2.0
221.13353	1.9
221.15338	2.0
223.14844	2.3
227.12744	14.8
229.14363	2.6
229.19489	4.2
233.13147	1.9
233.15425	2.7
239.17804	6.0
247.20551	4.8
253.18037	2.0
255.17650	1.8
257.18991	15.8
259.17099	1.8
259.20441	3.6
267.15939	3.0
269.17429	7.9
273.18570	8.7
275.20047	80.4
276.20468	3.3
277.21609	5.4
284.52087	2.1
291.19516	7.7
293.21057	8.7
299.20023	2.5
313.21497	2.9
331.22684	5.4
347.22458	2.7
349.23718	44.5
350.23969	1.8
351.25452	1.7
365.23181	2.4
367.24918	3.8
373.23853	2.9
383.22052	2.1
391.25558	1.8
413.21619	3.7
419.24374	3.0
445.29630	3.9
469.33063	2.5
503.32849	2.8
511.34579	2.5
513.36597	3.2
519.33154	2.1
525.35309	2.8
527.37268	2.8
529.34973	5.8
531.37799	2.2
543.36908	16.5
545.38202	2.8
559.35962	2.0
595.43732	2.8
605.42084	3.0
623.33392	2.5
623.42871	33.1
641.43988	22.3
665.42920	1.8
687.40405	6.0
705.41846	5.1
767.47577	3.8
785.48541	4.4
803.49213	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	803.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71146	1.9
57.03434	16.3
57.07061	4.9
59.04996	2.5
60.95282	2.0
61.02911	8.2
65.03927	6.6
65.91169	1.7
67.05138	5.2
67.05500	100.0
67.85361	2.2
69.03425	24.9
69.07064	47.8
69.29058	7.3
69.29479	13.7
70.07383	2.2
71.01337	2.2
71.04974	9.4
71.08614	4.1
73.02906	5.9
77.03924	1.9
79.05025	3.1
79.05487	77.6
81.03411	39.2
81.07053	90.8
82.07400	2.3
83.04987	20.1
83.08608	18.8
85.02905	20.5
85.06535	4.7
91.05474	72.0
93.07044	73.4
93.52547	2.1
94.07397	2.1
95.04970	23.6
95.08604	61.8
97.02885	20.2
97.06529	39.1
97.10147	13.8
99.04432	6.2
99.08121	4.5
103.05462	4.4
105.04513	3.1
105.07023	74.9
107.04958	26.7
107.08587	47.2
109.02882	6.3
109.06508	12.5
109.10152	40.7
110.10452	2.1
111.04433	3.9
111.08067	7.9
113.06050	2.0
115.05470	5.3
116.06218	2.7
117.07017	35.7
119.08569	51.5
119.09382	4.2
121.06461	9.3
121.10143	24.4
123.04440	2.9
123.08081	9.8
123.11685	6.9
125.09612	11.9
127.03931	10.9
128.06210	6.3
129.05479	2.1
129.07024	17.9
130.07753	2.8
131.04900	2.3
131.08543	39.1
133.06424	5.4
133.10126	36.7
135.08018	10.3
135.11694	12.5
137.09648	9.8
139.11209	2.5
141.07001	8.5
142.07759	4.3
143.08577	19.8
145.06459	4.7
145.10101	31.6
146.10339	1.9
147.08067	6.6
147.11699	21.8
149.09616	22.5
149.13229	7.9
151.07495	3.6
151.11145	6.3
155.08557	12.2
157.10115	20.0
159.08041	4.6
159.11697	28.0
161.09624	5.5
161.13249	10.9
163.11174	14.2
163.14937	2.5
165.09102	2.7
165.12730	2.8
167.08533	3.3
169.10168	12.5
171.08009	4.8
171.11688	14.1
173.04425	8.7
173.09602	3.5
173.11783	4.8
173.13274	17.6
175.11246	5.0
175.14818	3.0
177.12767	9.6
179.14319	6.7
181.10133	5.1
183.11696	13.7
184.07338	3.2
185.09508	2.3
185.13278	7.8
187.11203	6.2
187.14822	6.7
189.11182	5.6
189.12718	2.7
195.11653	4.7
197.13245	9.1
199.14870	3.9
201.12669	2.5
201.16347	2.9
205.12224	3.0
209.13219	7.5
211.14742	3.0
213.12733	2.9
213.16411	3.6
215.17944	3.2
217.15977	3.2
223.14793	2.9
225.12839	3.0
227.12660	10.3
229.14355	8.8
229.19496	4.7
235.14873	2.8
239.17902	6.7
241.10487	2.1
247.20534	4.2
257.18976	15.2
259.20618	4.0
267.15961	2.5
269.17490	5.1
271.20715	2.2
273.18515	8.3
275.10712	2.1
275.20050	71.9
276.20096	2.8
277.21744	4.7
287.20004	2.8
291.19443	4.7
293.21054	7.3
313.21338	3.3
315.65402	2.1
329.21362	2.1
331.22766	3.8
333.24399	2.8
349.23770	42.1
367.25110	3.1
383.22302	2.8
395.29333	4.5
487.34439	2.3
493.76974	2.7
503.33401	4.1
511.34436	4.2
513.36084	3.7
527.37177	4.1
529.34894	7.3
543.37018	13.7
561.96240	2.2
605.41614	4.6
623.42908	34.6
641.44135	32.7
739.66980	2.9
767.46857	2.6
785.47369	4.6
803.49823	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	2.3
57.03439	26.5
57.07070	5.2
61.02925	5.4
65.03922	8.1
67.05505	100.0
67.13190	1.9
69.03416	6.6
69.06725	2.7
69.07069	26.7
71.04975	7.3
73.02901	5.9
77.03930	1.9
79.05497	71.0
81.03423	17.1
81.07057	75.5
83.04971	6.9
83.08624	14.2
84.01201	1.7
85.02896	8.0
85.06547	14.9
86.09696	2.3
91.03947	3.1
91.05481	71.4
93.07047	66.4
95.04969	71.3
95.08611	45.3
97.02878	5.7
97.06523	11.5
97.10163	5.2
97.18413	2.0
99.08097	3.1
103.05470	4.1
105.04501	2.5
105.07034	65.3
107.04959	18.6
107.08595	37.7
109.06516	61.5
109.07263	3.0
109.10165	14.8
111.08076	5.8
113.06014	40.8
115.05449	5.7
117.07015	34.1
119.08581	45.1
121.06477	8.1
121.10139	17.8
123.08073	13.2
123.11669	4.3
125.09639	3.8
125.79057	2.3
128.06203	5.7
129.07001	19.5
131.08571	49.3
133.06499	5.8
133.10129	34.2
135.08058	47.0
135.11691	21.9
136.64792	2.2
137.09592	2.4
140.74098	1.8
141.06973	5.9
142.07767	2.4
143.08577	25.4
145.06483	8.3
145.10133	30.4
146.11012	2.0
147.08054	3.8
147.11678	21.0
149.09615	9.6
149.13252	8.8
151.11209	2.8
153.06990	2.0
155.08519	6.3
157.10153	17.7
159.07993	4.0
159.11670	27.8
161.09665	9.6
161.13251	14.8
163.11177	4.9
163.14899	2.3
165.12708	2.6
167.08591	4.7
168.09341	2.6
169.10150	10.5
171.11662	15.4
173.09625	2.3
173.13269	12.2
175.11189	5.6
175.14816	8.7
177.12730	6.8
179.08722	2.4
181.10095	6.7
181.12357	2.0
183.11699	6.6
184.07396	2.5
185.09605	2.8
185.13251	8.6
187.11174	9.0
187.14818	5.1
189.12805	2.0
193.10165	2.2
195.11688	7.6
195.13742	4.6
197.13271	5.7
199.11195	3.2
199.14851	7.3
201.12698	4.3
201.16437	3.2
205.12218	2.8
207.11720	2.7
209.13252	3.2
211.14857	2.7
213.16507	2.5
215.14267	2.3
215.17889	2.4
217.15829	9.1
217.19481	2.5
219.17517	2.1
231.21129	2.4
241.14291	4.0
241.19548	11.6
245.18988	3.6
249.16383	2.1
255.17438	6.7
257.19012	6.2
259.20526	12.4
273.18527	24.1
275.20047	5.8
279.15866	25.3
281.17697	2.1
291.19534	69.8
305.42590	2.1
311.20163	2.3
315.23215	5.9
325.25046	2.3
327.26917	6.0
333.24283	32.0
347.22250	7.1
349.23914	4.8
353.24542	3.1
365.23297	17.7
389.28372	2.1
431.28107	2.2
513.36621	5.9
531.38171	4.5
541.35522	3.9
543.36890	4.6
549.38940	4.6
605.41888	19.1
623.43085	96.5
623.53375	4.7
624.42963	4.3
629.78479	2.0
641.44067	36.3
644.17010	2.6
665.60962	2.3
683.07343	2.4
785.47998	3.8
803.48132	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	16.2
57.07062	8.4
61.02908	10.8
65.03937	6.1
67.05502	92.8
69.03426	22.8
69.07064	54.5
71.04998	7.7
73.02905	3.9
79.05489	85.3
81.03416	41.8
81.07053	92.5
83.04986	19.6
83.08611	34.7
85.02902	18.3
85.06533	3.5
86.09743	3.2
91.03958	3.9
91.05476	84.4
93.07037	82.0
93.07633	2.9
95.01352	3.1
95.04964	29.6
95.08605	56.3
97.02888	16.3
97.06512	17.0
97.10163	45.0
98.20757	7.6
99.04449	4.3
99.08082	7.4
103.05454	3.5
105.04521	3.7
105.07027	76.6
107.04959	14.4
107.08576	46.9
109.02866	6.2
109.06505	9.3
109.10147	26.5
111.04424	3.8
111.08064	9.2
113.09675	2.8
113.94025	3.1
115.05444	5.4
117.07006	37.7
119.08568	65.5
120.08937	3.2
121.06498	12.4
121.10123	27.2
123.04473	4.2
123.08062	13.8
123.11670	10.6
125.09599	27.5
127.03915	5.0
128.01559	2.5
128.06183	8.0
129.05544	3.3
129.06984	29.9
131.04900	3.0
131.08551	52.3
133.06430	5.8
133.10138	41.4
135.08051	16.2
135.11668	17.9
137.09612	10.9
139.11156	4.0
139.24226	2.6
141.06970	10.2
142.07779	7.0
143.08548	37.0
145.06514	5.6
145.10127	53.6
147.08054	9.1
147.11681	31.9
149.09610	11.0
149.13228	12.0
151.11208	3.6
153.06975	6.1
153.09094	5.2
154.07730	2.9
155.08548	19.4
156.09406	5.9
157.10110	27.6
159.08131	6.3
159.11682	30.2
161.09637	8.8
161.13260	23.7
163.11235	6.9
167.08546	12.0
169.10126	24.4
171.07997	3.3
171.10222	5.0
171.11662	22.8
173.09634	3.8
173.11830	5.4
173.13243	19.1
175.11189	7.9
175.14812	11.7
177.12730	3.6
179.08583	5.7
179.14362	4.4
181.04898	3.4
181.10141	8.2
183.08093	4.0
183.11703	23.5
184.07361	8.2
185.13274	18.7
187.11180	6.7
187.13336	4.8
187.14880	6.5
189.11194	18.3
193.12241	9.1
195.11722	11.0
197.09615	4.5
197.13231	13.0
199.11046	3.7
199.14868	10.8
203.14262	3.2
207.11755	4.8
209.13263	12.7
211.11261	2.9
211.13129	3.6
211.14854	9.6
213.12617	3.0
215.14265	2.8
223.13240	7.7
223.15060	4.7
225.16333	6.2
227.12730	23.3
227.18028	4.7
235.14790	6.5
239.18033	6.4
241.19463	10.7
245.13649	6.1
245.18985	3.3
249.14912	3.1
253.19392	3.6
255.17424	5.5
257.15405	3.5
257.18951	13.2
259.20563	28.9
265.19794	3.3
267.15930	10.8
267.21188	4.4
273.18408	17.0
273.22028	2.9
275.19989	16.4
277.21893	5.7
283.20645	3.5
285.22089	5.2
291.19540	48.5
301.21609	7.6
315.23264	5.7
333.24408	19.5
339.31143	2.9
349.23904	6.8
365.23288	18.6
367.22397	4.2
379.29819	3.9
381.27750	4.4
397.30896	3.5
419.29175	3.9
441.26175	4.0
499.33459	3.2
511.33905	8.5
513.36182	8.9
513.44037	3.3
525.35516	11.5
529.35138	12.1
531.37769	9.6
532.16364	4.1
543.36743	23.9
549.39362	4.7
605.41913	21.9
623.43085	100.0
624.43201	8.6
641.44073	42.1
646.54047	3.3
669.39471	5.2
767.47321	4.5
785.47797	11.6
803.48541	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	802.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.7
58.06602	0.4
58.61565	0.3
60.08156	6.4
64.10480	0.3
67.05471	0.4
71.07375	3.6
71.24994	0.4
71.25343	0.5
72.62669	0.3
79.05462	0.3
81.07035	0.8
81.26823	0.3
86.09698	30.1
87.10065	0.3
98.97908	0.4
98.98449	2.5
104.10728	3.1
124.99992	19.6
143.01053	0.4
144.06671	0.3
168.37218	0.3
184.07323	100.0
185.07671	0.8
207.01460	0.3
211.72589	0.3
388.85477	0.4
430.72726	0.4
496.33459	0.4
674.78845	0.4
756.47803	2.2
802.52283	4.3
803.53357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	15.4
57.07056	4.5
59.04999	4.4
65.03938	6.6
67.05504	90.5
68.05844	4.3
69.03424	14.4
69.07069	42.8
71.04979	9.1
71.08636	22.7
79.05492	90.4
80.05025	2.8
80.05814	3.9
81.03413	30.9
81.07056	100.0
81.70150	2.3
82.06563	5.8
82.07362	4.3
83.04994	16.4
83.08606	19.5
85.02880	6.9
85.06528	5.4
86.09675	4.0
91.05481	85.0
92.05816	6.4
93.07040	80.5
94.07346	3.8
95.04961	32.0
95.08607	54.1
96.08926	4.6
97.02873	11.2
97.06524	16.8
97.10159	16.8
98.06094	3.5
98.98437	5.5
99.04436	3.4
99.08083	18.2
105.04513	2.6
105.07032	68.1
106.07379	3.0
107.04951	20.9
107.08583	49.7
108.08835	2.6
109.02881	5.5
109.06538	15.0
109.10152	26.9
110.06823	2.4
110.09673	2.4
111.08071	7.5
113.05988	6.3
113.09634	5.1
115.05437	6.4
117.06259	2.5
117.07024	33.7
118.07391	3.7
119.08577	45.3
120.08970	2.3
121.06499	9.0
121.10142	26.9
123.04410	3.3
123.08076	8.1
123.11683	6.5
125.00000	2.7
125.09624	16.5
127.03919	2.9
128.06186	4.6
129.07004	19.4
131.08553	39.0
132.08878	5.4
133.06494	5.1
133.10118	41.8
135.08047	13.1
135.11731	17.7
137.09610	6.7
141.06992	3.1
142.12267	4.1
143.08583	15.4
145.06470	3.2
145.10120	30.8
146.10487	3.8
147.08023	9.1
147.11664	21.1
149.09633	14.2
149.13217	14.8
151.11168	12.0
153.09068	3.0
155.08478	4.5
157.10120	11.5
159.07979	3.3
159.11685	19.7
160.12027	2.7
161.09584	4.5
161.13261	15.4
163.11159	17.0
164.11494	2.9
167.08446	3.1
169.10106	4.0
171.11699	11.4
173.04459	6.4
173.09526	3.2
173.13237	9.4
175.11171	3.9
175.14940	3.0
177.12740	9.0
179.14296	10.6
180.13905	5.6
181.10045	3.0
183.11636	5.5
184.07309	17.1
185.13242	5.8
187.14835	4.4
189.11172	4.4
194.12463	3.0
195.13832	7.0
196.13371	4.5
197.13284	4.0
199.14880	4.2
201.12636	4.1
217.15736	3.2
220.16974	11.2
220.56378	2.3
222.08852	2.8
223.13167	3.1
227.12773	6.9
228.13219	3.3
229.14383	3.5
229.92757	3.2
238.18080	8.6
257.19061	6.8
259.20667	6.1
261.22211	3.6
269.17569	7.2
271.37314	2.9
273.18436	8.7
274.18872	7.7
275.20102	33.8
276.20236	8.8
277.21637	12.2
278.22464	2.7
291.19550	21.3
292.19846	12.9
293.21085	27.1
315.23090	5.2
318.14685	3.9
320.25848	3.1
333.23929	3.4
347.22079	3.8
349.23679	9.9
350.24118	5.3
351.25116	5.8
352.15009	3.2
365.23083	5.2
366.23547	4.3
367.24786	5.5
374.17694	3.3
392.18256	12.5
425.33801	2.7
487.33978	3.2
515.37280	3.2
527.37347	4.8
529.38861	6.2
543.36633	8.0
545.38354	3.8
561.37677	14.1
591.43860	3.2
609.45197	36.4
622.41870	7.7
625.44336	9.3
627.45935	4.6
640.42700	14.1
641.43396	3.9
643.45740	36.8
644.46240	3.6
652.39185	5.2
668.38330	3.2
732.45172	4.1
784.46661	6.3
802.48450	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	802.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.3
60.83603	0.2
61.64908	0.2
67.01842	0.2
69.03424	2.4
70.64550	0.7
71.01331	0.5
71.04974	0.3
73.02906	0.3
81.02996	0.3
81.03413	3.1
85.02905	1.7
86.89139	0.2
91.05476	0.4
97.02858	0.5
99.04461	1.1
103.05447	0.7
109.02877	2.1
119.04939	0.3
123.04416	0.3
127.03908	2.1
129.03400	0.2
131.04895	0.5
139.03845	0.2
144.53847	0.2
145.04935	0.5
147.04424	1.2
153.01817	0.4
157.02866	0.9
159.04387	0.2
163.03940	0.5
173.02345	0.5
175.03899	1.8
185.02371	1.1
187.03902	4.6
191.03381	0.5
201.01808	1.4
202.02554	0.2
203.03378	3.2
207.70239	0.2
213.01836	3.3
215.03394	3.9
219.02939	0.4
221.00052	0.2
229.01314	1.3
230.02087	0.4
231.02869	19.3
232.03110	0.3
241.01338	3.6
247.02354	2.7
257.00824	2.3
258.01529	0.3
259.02368	31.9
260.02808	0.8
275.01868	3.4
276.02628	1.5
277.03412	100.0
278.03705	1.5
285.00369	1.6
289.03433	0.8
293.02917	0.3
302.00665	0.4
303.01331	35.3
304.01794	0.9
313.03583	0.3
315.01221	0.9
321.02356	2.7
328.99234	0.6
341.02817	0.4
343.04135	0.2
345.02426	0.2
355.04340	0.3
357.06024	0.2
363.03464	0.5
367.04684	0.4
385.05688	0.5
387.03748	0.9
399.03745	0.3
411.03610	0.5
429.04559	0.7
447.05649	0.7
465.06656	2.1
483.07681	0.4
557.04498	0.2
785.08392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13622	0.6
66.14414	0.6
69.03406	1.1
71.50510	0.9
81.03387	0.9
85.02882	1.8
99.09390	0.8
103.05472	0.8
106.39380	0.7
115.05437	0.8
143.04904	1.0
146.05988	1.2
147.04362	1.3
153.01782	0.9
155.04874	0.7
159.04411	1.6
170.13298	0.8
171.04430	3.6
173.02303	1.4
177.05444	1.2
183.04388	1.1
185.05992	1.6
187.03862	5.1
188.07097	2.0
189.05588	0.9
191.03464	1.3
197.06041	0.9
199.03870	5.3
201.01823	2.4
203.03415	3.9
205.05043	1.1
205.09663	1.0
211.03943	2.2
213.01927	1.8
213.05470	2.5
215.03421	8.7
219.02966	1.0
227.03354	5.2
229.01337	2.9
231.02887	13.5
233.04529	1.0
237.01967	1.3
237.05460	1.2
239.03372	1.2
241.01297	3.1
241.04971	3.8
243.02890	5.7
245.04445	1.7
247.02376	5.3
253.05014	0.9
255.02869	7.1
257.00909	2.0
257.04266	0.9
259.02380	21.6
261.03842	3.5
265.05133	1.1
269.04544	4.0
271.02390	9.4
273.03934	8.9
275.01859	5.2
276.02524	1.9
277.03418	49.7
278.03732	1.1
281.04434	1.0
283.02390	7.6
285.00351	1.6
287.05447	1.1
289.03427	15.2
297.00912	0.8
297.03946	5.0
299.01840	18.8
300.02393	1.0
301.03415	21.7
302.00467	1.4
303.01352	39.3
303.04593	1.7
304.01651	1.1
305.02936	3.3
311.05618	1.7
313.03317	3.7
315.01303	6.3
315.04987	4.9
316.02069	1.6
317.02863	5.8
319.04385	1.6
321.02573	2.9
325.03415	1.3
327.01300	9.6
328.99219	1.4
329.02759	1.6
331.00906	1.3
339.01270	1.0
339.05026	2.5
341.02939	2.2
343.04443	7.0
345.02402	100.0
346.02844	1.7
355.04504	2.2
357.06158	1.0
361.01828	1.0
363.03604	0.8
367.04544	3.6
369.02606	2.0
385.05609	5.6
385.80487	0.9
387.03531	2.1
411.03479	2.0
447.05609	10.0
465.06711	2.5
508.14005	1.0
767.06586	0.8
785.06750	0.8
816.81775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03401	0.2
68.99789	0.2
69.03428	2.0
71.01335	0.4
71.04977	0.3
73.02907	0.4
81.03419	2.4
85.02903	1.4
91.05444	0.3
97.02890	0.8
98.20631	0.3
99.04446	0.6
101.02397	0.3
103.05450	0.5
109.02883	1.5
119.04913	0.4
127.03913	2.3
131.04919	0.6
147.04408	0.7
157.02864	0.9
163.03873	0.3
173.02379	0.6
175.03894	1.7
185.02373	0.9
187.03886	4.3
189.01750	0.2
191.03401	0.6
201.01767	1.1
203.03371	3.3
213.01822	3.1
215.03378	3.5
219.02771	0.3
221.04385	0.2
226.18892	0.2
229.01297	1.4
230.02045	0.6
231.02872	16.9
232.03418	0.3
241.01306	2.9
247.02388	2.7
257.00867	1.9
259.02377	28.7
260.02814	0.7
267.36203	0.2
269.04477	0.3
275.01849	3.6
276.02686	1.0
277.03415	100.0
278.03763	1.8
285.00391	1.4
289.03421	0.7
293.02750	0.3
297.03955	0.3
302.00800	0.3
303.01337	34.9
304.01587	0.9
311.05396	0.2
313.03439	0.4
315.01556	0.9
315.04645	0.3
321.02383	2.7
328.99405	0.4
341.03061	0.3
343.04700	0.3
345.02347	1.1
355.04526	0.2
367.04459	0.6
383.03983	0.2
385.05511	0.6
387.03506	1.3
399.03769	0.2
411.03473	0.7
429.04468	0.6
440.05710	0.2
447.05685	1.4
464.12308	0.2
465.06589	2.4
483.07788	0.2
704.93866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	12.5
58.37391	3.2
61.18541	3.0
65.03947	4.5
67.05495	28.3
69.03422	28.1
69.07070	9.1
69.37737	29.4
71.04991	8.3
79.05498	22.9
81.03411	100.0
81.07060	37.5
83.04977	24.6
83.08618	14.7
84.01569	4.1
85.02904	26.9
91.05480	36.3
92.89056	3.2
93.07037	17.0
95.04945	20.3
95.08611	16.9
97.02901	27.6
97.06517	5.4
97.10169	7.6
99.04456	7.5
105.07026	25.5
107.04951	9.1
107.08610	18.3
109.02889	19.8
109.06528	4.6
109.10134	9.7
110.56934	3.7
111.04437	17.0
111.08082	9.6
117.07061	4.5
119.04974	4.0
119.08571	25.1
121.06497	3.9
121.10128	11.0
123.04427	6.2
123.11750	5.1
125.09612	6.6
127.03944	18.6
129.05493	5.9
129.07019	15.1
131.08557	16.0
133.06496	7.2
133.10117	10.3
135.08063	4.7
135.62610	3.3
139.03923	4.9
139.11223	3.6
145.06483	5.5
145.10086	5.9
147.07970	3.5
147.11703	24.0
149.09584	4.3
151.11162	4.6
153.12796	4.4
157.06433	4.0
157.10109	16.6
165.12759	5.8
173.01192	3.3
173.04576	6.5
173.06024	10.6
175.11208	14.7
177.05424	12.9
193.12239	49.2
211.13271	55.3
217.04950	13.9
227.12730	4.0
229.14355	10.8
267.16028	26.9
283.15436	4.4
285.17001	19.9
301.14325	6.5
317.06351	8.1
329.13892	6.6
336.97607	4.0
337.16458	5.6
355.17432	8.2
375.05786	12.1
380.04572	4.0
385.16510	7.3
393.06592	9.5
411.20282	10.6
429.21188	9.9
459.27319	12.5
477.28421	16.0
495.29269	15.7
585.30670	7.2
621.32288	12.1
639.33362	23.8
655.09045	25.4
656.10046	7.2
673.10345	4.7
678.75977	4.0
783.37219	11.7
801.38757	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	800.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	22.5
57.07071	14.5
60.08153	2.5
61.02927	2.9
67.05505	75.1
69.03439	12.6
69.07069	62.4
71.04987	6.9
71.08637	7.0
71.53550	2.3
73.02920	2.9
79.05491	55.7
81.03415	11.8
81.07053	98.1
83.04978	9.6
83.05923	1.8
83.08152	3.4
83.08618	32.8
83.09078	3.8
85.02893	8.4
85.06525	4.9
86.09714	11.7
89.06037	3.9
91.03956	2.4
91.05485	36.1
93.07042	55.4
93.70335	2.1
95.04977	12.4
95.08604	50.6
97.02887	6.4
97.06516	20.7
97.10167	20.1
99.04443	2.9
99.08073	4.1
104.10748	2.8
105.07033	31.2
107.04944	7.1
107.08591	34.0
109.02836	3.0
109.06528	3.0
109.10156	21.9
111.04402	2.9
111.08086	5.2
111.11738	4.7
117.06996	15.3
119.08578	21.1
121.06495	4.4
121.10135	31.4
123.08060	6.0
123.11694	8.2
125.00016	8.0
125.09595	5.7
129.07007	4.3
131.08563	14.2
133.10144	19.6
135.08075	5.9
135.11688	27.3
137.09575	3.0
137.13290	3.3
143.08562	3.7
145.10130	14.1
147.11652	11.2
149.09651	13.7
149.13257	14.5
151.06633	2.2
151.11166	2.5
157.10165	5.7
159.11673	16.2
161.09587	2.5
161.13229	3.6
163.11185	6.1
163.14828	2.4
169.10153	4.3
171.11678	4.3
173.04468	2.9
173.13245	5.3
177.11360	2.6
177.12766	3.7
179.14308	2.6
181.12198	2.6
184.07349	44.0
195.13811	4.8
217.15996	3.8
219.21107	3.9
227.12683	3.0
237.22206	4.6
239.18008	3.4
247.20636	3.5
255.15891	19.4
257.18991	9.9
267.15936	3.3
269.17462	35.5
275.20093	27.9
311.25784	100.0
312.26050	2.6
349.23676	24.0
367.24689	3.2
413.21729	4.0
491.37302	21.2
505.38885	99.3
506.39194	3.4
545.42059	4.8
585.45117	30.9
603.45929	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	796.548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.5
56.86241	0.2
58.06601	0.5
60.08161	5.6
71.07371	3.4
71.16803	0.2
79.05451	0.3
81.07037	0.3
86.09703	28.7
93.07016	0.4
95.08594	0.4
98.98470	3.1
100.06130	0.2
104.10737	2.7
105.07024	0.2
119.08578	0.3
122.65862	0.2
124.99995	18.5
143.01068	0.3
166.02597	0.3
184.07332	100.0
185.07640	0.7
217.65462	0.2
249.93874	0.2
287.61337	0.3
298.39227	0.3
385.96255	0.2
796.54761	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	797.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.5
58.68333	1.5
61.02918	4.2
65.03931	3.4
67.05135	2.5
67.05504	47.7
69.03433	33.8
69.07072	7.6
71.01329	2.1
71.04982	9.1
71.51950	2.1
73.02901	3.9
73.06525	1.7
79.05489	53.3
79.36675	1.7
81.03416	100.0
81.07056	50.3
83.04979	19.9
83.08624	15.0
85.02909	26.6
85.06542	3.6
87.04483	2.0
91.03980	1.5
91.05476	59.8
92.05828	2.0
93.07043	52.0
95.04962	34.4
95.08611	21.3
97.02891	33.5
97.06538	7.9
97.10167	7.3
99.04462	9.2
103.03965	2.1
103.05480	1.6
105.04522	2.6
105.07028	39.9
107.04955	10.5
107.08598	19.6
109.02870	19.0
109.06521	9.9
109.10154	7.8
111.04433	11.4
111.08076	7.0
113.05994	1.7
115.05429	3.7
117.07001	16.5
119.04938	2.5
119.08575	29.4
121.02886	1.9
121.06511	6.4
121.10132	11.1
123.04403	5.3
123.08053	5.6
123.11707	5.1
125.09612	2.9
127.03907	22.5
128.06245	6.5
129.05472	2.4
129.07002	22.5
131.04977	3.6
131.08586	19.4
133.06462	5.9
133.10138	13.9
135.04404	3.1
135.08047	5.1
135.11671	4.3
137.05920	3.3
137.09589	1.6
139.03905	2.1
141.06993	3.5
143.08545	11.8
145.05046	1.6
145.06447	4.7
145.10112	12.3
147.04427	4.8
147.08017	7.3
147.11673	30.3
149.06021	2.1
149.09634	7.2
151.11143	2.2
153.06975	1.7
155.08546	3.8
157.06540	2.3
157.10136	10.3
159.08064	5.4
159.11676	2.3
161.05962	2.1
161.09645	4.0
161.13281	7.1
163.03915	1.9
163.11203	4.7
165.05539	1.8
165.12735	3.3
167.08592	2.7
169.10059	3.1
171.08038	5.1
171.11687	15.6
173.04477	9.7
173.05879	2.6
173.13234	2.5
175.11179	7.6
175.14868	1.9
181.12286	2.6
183.11688	2.7
184.07301	2.4
185.09709	3.2
187.07492	2.2
189.12726	5.6
191.10670	4.3
191.14351	2.6
193.12241	22.0
197.13123	2.0
207.13791	15.7
209.11609	2.3
209.13397	2.0
211.13272	30.8
217.08675	1.9
225.12811	2.0
227.12804	5.8
229.14299	2.3
231.13916	2.2
253.07025	2.1
259.16956	3.2
265.18076	2.0
267.15909	16.9
269.15405	4.2
281.17496	36.5
283.15350	3.1
285.16971	9.8
287.16531	4.7
301.18839	1.9
303.04953	2.0
315.15909	2.2
351.18292	2.2
355.17371	2.9
361.19946	2.6
385.24771	2.0
396.71667	1.9
411.20053	4.4
425.21747	4.9
429.21271	5.7
456.09714	2.0
473.10205	4.0
473.29010	34.3
474.09903	9.2
491.29980	22.6
553.31299	3.2
571.32782	2.0
599.31738	3.1
617.32660	8.0
635.34253	20.8
636.15625	4.1
779.38190	2.4
797.42505	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	796.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.1
57.07075	0.1
58.06625	0.6
59.07381	0.1
59.81442	0.1
60.08161	8.1
63.14788	0.1
67.05488	0.3
69.07035	0.1
69.44437	0.1
70.06590	0.3
71.01320	0.2
71.01672	0.1
71.07368	5.0
71.84293	0.1
72.91202	0.1
79.05478	0.2
81.07043	0.3
86.09701	40.8
87.09399	0.1
87.10017	0.3
91.05441	0.2
92.96319	0.1
93.07030	0.2
94.12851	0.1
95.08588	0.2
98.98460	4.7
104.10733	2.7
105.07022	0.1
109.06510	0.1
120.42603	0.1
124.99995	29.3
126.00330	0.2
143.01039	0.4
166.02641	0.3
184.07329	100.0
185.07713	0.9
186.07797	0.1
269.07697	0.1
297.16989	0.2
378.34036	0.1
428.04440	0.1
432.00485	0.1
515.32043	0.1
520.33563	0.1
778.53717	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	796.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
58.06619	0.5
59.07386	0.1
59.40152	0.1
60.08162	7.4
62.58845	0.1
65.72745	0.1
67.05499	0.2
69.52689	0.7
69.53123	0.2
70.06585	0.1
71.07369	4.2
79.05508	0.2
81.07053	0.2
86.09702	36.2
87.10029	0.4
87.47337	0.1
91.05486	0.1
93.07009	0.1
95.08597	0.1
98.98464	4.1
104.10732	2.4
105.07053	0.1
109.82322	0.1
116.99512	0.2
124.99998	25.1
126.00340	0.2
143.01057	0.5
166.02666	0.2
184.07332	100.0
185.07710	1.3
186.07773	0.3
238.68362	0.1
498.29630	0.1
516.30902	0.2
778.53796	2.6
779.53839	0.2
796.53802	0.2
799.80762	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	795.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07734	0.3
57.03438	2.2
58.00902	0.3
59.04995	0.8
61.02927	4.9
65.99089	0.3
67.05499	4.4
69.03425	3.7
69.07054	1.1
69.38769	0.4
69.39164	2.9
71.01337	0.4
71.04984	1.5
72.40343	0.4
73.02910	3.7
77.16396	0.4
79.05488	5.8
81.03415	3.1
81.07053	4.6
83.04996	0.8
83.08619	0.9
85.02901	5.3
86.09724	1.4
87.04485	0.8
91.03954	3.0
91.05476	5.2
93.07038	5.8
93.07575	0.5
95.04965	1.4
95.08597	2.3
97.02889	4.2
97.06546	0.9
97.10166	0.4
99.04488	0.8
101.02391	2.0
103.03957	0.6
105.07027	4.3
107.04919	0.4
107.08584	2.6
109.02838	0.6
109.06506	0.5
109.10188	0.8
111.08086	0.5
115.03954	0.5
115.05492	0.3
117.06997	0.8
119.08575	2.9
121.10143	2.2
123.11720	0.4
125.00031	1.0
127.03909	1.2
129.05542	0.5
129.07033	1.1
131.08542	1.9
132.38026	0.4
133.10117	3.0
135.11723	1.2
143.08546	0.6
145.10127	0.7
147.11674	2.6
149.09625	1.5
149.13332	0.5
151.11230	0.4
157.10135	0.9
159.11687	0.4
161.13181	0.5
173.13155	0.4
175.11247	1.0
184.07321	4.5
185.04295	1.2
185.07718	0.6
185.64743	0.4
192.66411	0.3
193.12299	1.2
203.05292	0.8
206.37704	0.3
225.14912	0.5
233.11610	0.5
243.08350	3.7
264.62482	0.4
267.15945	0.7
283.15115	5.2
301.08878	1.8
302.74167	0.4
315.10504	0.8
317.20865	0.6
339.17831	1.1
344.09143	0.4
355.13962	0.4
357.15176	0.4
367.56458	0.4
371.16873	0.6
373.11023	0.5
381.19034	0.6
383.16937	0.4
385.18478	0.4
427.19110	0.4
441.21448	0.4
465.21170	1.4
469.20526	0.9
501.23044	11.1
529.23248	0.6
535.28766	8.5
573.25134	2.0
601.29016	0.5
629.31152	0.5
657.34808	0.6
705.38330	0.7
709.32721	0.9
768.47449	0.4
795.44983	100.0
796.45197	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	795.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
60.78542	0.9
61.02927	8.6
67.05502	8.5
69.03437	4.7
69.07070	3.9
71.01351	0.9
71.52325	1.1
73.02914	4.8
79.05488	6.4
81.03427	7.3
81.07057	4.6
83.04991	2.4
83.08647	2.1
85.02908	11.0
86.09721	2.5
87.04514	1.0
87.10048	0.9
91.03944	5.7
91.05487	5.8
93.07051	5.9
95.04990	3.2
95.08624	2.8
97.02894	7.3
97.06529	1.3
97.10183	1.3
99.04482	2.4
101.02401	2.6
105.07043	3.7
107.04963	1.2
107.08620	3.3
109.02888	1.6
109.06557	1.5
109.10202	1.7
115.05502	0.7
117.07025	0.8
119.08566	3.7
119.79359	0.7
121.10150	1.8
123.08130	0.8
125.00029	1.9
125.09660	0.8
127.03942	2.5
129.05521	3.2
129.06982	1.3
131.08575	1.8
133.10152	2.5
135.11676	2.0
145.04991	1.3
145.10130	1.5
147.11699	2.6
149.02408	0.9
149.09677	1.6
149.13371	0.8
157.10176	0.9
158.47089	0.6
159.11739	1.1
160.14258	0.8
175.11197	1.1
179.22055	0.7
181.04831	1.5
184.07336	10.3
185.04187	6.2
185.07663	1.5
193.12303	1.8
201.03766	2.4
203.05272	0.8
211.13292	1.4
220.72542	0.7
221.11530	1.2
223.13362	1.1
243.08426	6.8
251.12602	2.9
263.12466	1.1
277.14435	1.4
301.08951	15.3
301.12198	1.2
307.15247	1.1
315.10300	3.9
315.18964	0.7
333.20450	2.0
341.12271	1.0
343.13776	0.9
349.16238	1.7
355.13428	1.0
357.15402	1.5
367.17343	1.3
371.16843	1.1
373.11066	5.3
373.23544	1.3
383.16766	2.4
385.18362	10.3
385.22961	1.2
387.12891	1.1
395.16757	1.5
413.17792	1.9
429.17560	2.2
431.24094	0.9
433.25818	2.1
439.19260	5.8
443.18945	3.8
457.20343	1.6
467.19678	0.9
469.20392	17.6
470.20697	1.1
471.22388	0.9
477.24545	1.3
481.20486	3.8
485.19336	3.7
499.21835	3.0
511.21365	1.1
515.33691	1.6
527.20612	0.9
527.28357	1.1
528.21826	4.5
541.22412	10.6
551.28326	5.0
555.24408	1.3
567.27899	1.5
569.26581	1.0
583.31042	2.1
610.29230	1.1
611.30414	2.8
612.31378	2.4
623.30591	3.1
625.32214	2.0
641.31683	4.6
667.32965	15.9
667.43500	1.3
693.38098	2.0
709.34039	35.1
710.33948	1.2
749.40436	1.7
777.40125	7.5
795.41296	100.0
796.41357	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	794.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.7
57.07076	0.1
58.06631	0.5
59.07383	0.2
60.08160	6.2
60.23496	0.1
67.05495	0.3
71.07370	3.4
71.51141	0.1
71.65691	0.1
72.17049	0.1
79.05467	0.1
80.97426	0.1
81.07046	0.2
86.09701	30.1
87.04442	0.4
87.10030	0.3
91.05478	0.2
93.07044	0.2
95.08612	0.1
98.98459	3.5
104.10738	2.1
104.11431	0.1
105.07023	0.2
107.08534	0.1
109.10189	0.1
116.99479	0.1
124.99995	21.2
126.00362	0.1
130.94753	0.1
131.08568	0.1
143.01060	0.4
164.82814	0.1
166.02628	0.3
184.07329	100.0
185.07684	0.9
192.75307	0.1
413.38428	0.1
516.30316	0.1
518.32458	0.1
593.45807	0.1
776.52197	3.7
777.52716	0.4
794.52612	0.2
795.41870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.5
57.07074	0.2
58.06353	0.2
58.06610	0.4
60.08160	6.5
67.05502	0.4
67.10126	0.2
69.08251	0.2
70.06603	0.2
70.09670	0.6
71.07372	3.1
72.86975	0.2
79.05512	0.2
81.07054	0.4
86.09702	29.2
87.10017	0.2
90.73735	0.2
91.05486	0.2
93.07028	0.2
98.98458	3.2
104.10732	2.1
110.23907	0.2
124.99997	19.3
143.01042	0.5
184.07330	100.0
185.07704	0.9
409.16031	0.2
607.54993	0.2
776.51160	0.2
794.53021	3.0
795.51514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
57.07087	0.3
58.06612	0.4
60.08164	6.8
67.05518	0.4
71.06982	0.4
71.07368	3.6
71.51423	0.4
73.42629	0.2
77.19250	0.2
86.09705	28.6
87.04448	0.3
88.90047	0.2
91.05491	0.4
95.08604	0.3
98.98463	3.3
104.10731	2.1
105.06950	0.3
125.00003	19.6
143.01106	0.3
175.86267	0.3
184.07339	100.0
185.07651	1.2
583.68622	0.3
776.52209	3.8
777.52618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.8
58.06603	0.4
60.08165	5.9
62.45862	0.2
67.05513	0.2
69.32788	1.6
70.06583	0.2
71.07377	2.8
79.05492	0.3
81.02375	0.2
84.08094	0.2
86.09704	27.7
87.04485	0.3
93.07017	0.4
95.08640	0.2
98.98463	2.9
104.10735	2.1
124.99998	18.6
138.54536	0.2
143.01025	0.4
166.02692	0.2
184.07335	100.0
185.07675	0.7
290.11676	0.2
310.41058	0.2
345.52518	0.2
360.65152	0.2
431.23605	0.2
460.36014	0.2
462.55859	0.1
516.30585	0.2
605.05969	0.2
752.27319	0.2
776.52112	3.1
777.50708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05284	1.0
55.05515	15.2
57.03435	9.9
57.07064	2.7
61.02908	3.6
65.03927	3.1
67.05504	54.9
69.06736	1.2
69.07068	14.6
69.58251	1.0
71.04983	2.1
72.32999	0.9
74.25780	0.9
79.05492	33.8
79.83957	1.1
81.03431	1.1
81.07052	56.4
83.04984	2.0
83.08624	7.0
85.02895	3.3
85.06545	2.1
91.05480	19.0
93.07041	40.0
95.04954	3.2
95.08603	44.3
97.02888	1.6
97.06513	1.7
97.10165	2.6
98.09902	1.0
98.20699	1.4
99.08076	1.0
105.07023	17.1
107.08593	22.4
108.07862	0.8
109.06490	1.3
109.10154	21.4
109.65881	1.0
111.08049	1.0
117.07057	5.9
117.45850	0.8
119.08582	13.6
121.10143	19.8
123.08060	1.4
123.11711	7.5
124.70713	1.0
129.06973	1.8
130.95471	1.0
131.08542	10.4
133.10124	12.7
134.75990	1.0
135.11674	13.5
137.09634	1.0
137.13213	1.8
143.08559	2.0
145.10117	9.7
147.11696	9.7
149.13266	7.8
157.10072	1.3
159.11714	7.6
161.13269	6.8
163.14822	2.8
169.10023	1.0
171.11719	1.6
173.13278	6.6
175.14783	3.5
177.16417	1.2
185.13237	3.2
187.14760	5.0
201.16278	1.2
215.17859	2.2
241.19543	3.0
243.21039	5.3
259.20581	6.7
261.22156	15.8
263.23691	2.2
273.22089	1.3
285.21680	1.0
315.23285	1.2
315.27307	1.0
317.24826	2.2
333.24289	5.7
335.25781	100.0
336.26056	2.7
337.27304	8.7
427.60754	1.0
451.35297	1.0
521.43005	1.7
560.35004	1.0
584.95813	1.0
595.47150	14.3
613.48102	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	792.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.9
55.05508	34.8
55.80286	2.3
56.09079	2.0
57.03435	23.1
59.04991	2.8
61.02924	3.4
62.26362	2.5
65.03938	5.0
67.05502	100.0
69.03425	10.4
69.07069	28.4
69.26270	9.1
69.26698	12.6
71.05006	10.0
73.02929	3.4
75.22309	2.0
79.05492	55.4
81.03416	70.4
81.07056	84.4
83.04978	23.4
83.08617	43.5
85.02905	30.3
85.06532	6.8
91.05473	58.5
93.07038	49.0
95.04967	35.9
95.08600	25.7
97.02880	4.0
97.06512	12.1
97.10153	12.5
105.07027	47.9
107.04950	14.9
107.08598	33.6
109.06519	12.8
109.10149	47.2
111.04417	5.2
111.08068	18.8
113.05943	2.2
115.05482	3.8
117.07033	7.1
119.08578	42.3
120.80169	1.9
121.06541	5.1
121.10130	23.6
121.80959	2.4
123.08070	7.6
123.11722	6.0
125.09637	9.0
129.07005	15.2
131.08545	23.8
133.06551	3.2
133.10118	26.6
135.08054	4.7
135.11703	7.0
137.09607	6.3
142.07787	3.0
143.08600	4.8
145.10156	11.8
147.08029	4.6
147.11664	23.5
149.09605	14.3
149.13234	6.6
151.11172	3.4
157.10097	21.8
159.11710	10.7
161.13275	2.4
163.11185	4.7
165.12695	4.6
171.11674	2.6
173.11768	13.5
173.13176	3.6
175.11189	15.3
177.12697	4.1
184.07375	6.0
189.11192	2.9
193.12245	52.2
193.13914	3.9
194.12561	2.3
211.13275	57.1
212.13535	2.8
227.12849	11.4
229.14339	38.1
230.14876	3.4
233.15224	2.5
257.19241	4.5
267.15918	35.5
269.17450	24.4
275.20068	39.4
276.20126	2.1
285.16959	71.5
293.21036	2.7
349.23737	28.7
367.24847	9.1
421.25800	15.2
439.26874	93.7
440.27365	5.2
455.26767	2.6
461.28989	29.1
479.30002	75.4
480.30551	4.1
501.31970	3.2
541.35272	23.1
559.36371	45.6
560.36749	4.3
577.37463	16.5
605.33301	2.9
612.12836	3.3
623.34448	4.9
630.14325	5.2
761.15820	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	792.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.0
55.05509	41.6
55.46795	1.4
57.03435	24.3
57.07066	4.2
59.04993	3.0
60.42179	1.5
61.02929	8.7
65.03934	4.5
67.05503	100.0
68.05833	1.8
69.03427	15.1
69.07066	28.9
70.28040	1.3
70.70449	2.3
70.70796	1.3
71.01339	3.8
71.04993	12.9
71.08630	32.2
73.02923	3.5
77.03901	1.8
79.05491	73.7
81.03416	80.3
81.07053	89.5
81.32480	1.5
82.03755	1.8
83.04978	33.2
83.08617	34.5
85.02904	29.3
85.06543	6.7
86.09690	5.8
91.03928	3.7
91.05477	84.9
92.05804	1.7
93.07043	63.9
95.04967	45.1
95.08605	50.4
96.08919	2.2
97.02889	12.4
97.06525	14.7
97.10163	16.8
99.04447	2.3
99.08091	28.7
105.07030	55.1
107.04960	15.1
107.08591	35.5
109.02890	2.1
109.06505	9.6
109.10151	35.4
110.10457	1.7
111.04432	4.6
111.08077	17.1
113.05957	2.2
113.09656	1.4
115.05457	1.7
116.04766	1.7
117.06997	15.3
117.09084	1.6
119.04974	1.9
119.08579	49.2
121.06499	8.1
121.10143	22.6
123.08064	8.6
123.11691	5.9
125.00021	2.6
125.09612	13.8
127.03928	5.5
127.11176	2.2
128.06206	2.5
129.05470	4.9
129.06995	21.5
131.04881	1.5
131.08571	24.1
132.39693	1.6
133.06479	3.4
133.10133	37.6
135.08058	4.2
135.11681	14.4
137.09612	8.3
137.60989	1.4
139.11182	15.8
141.06984	2.8
142.07753	3.8
143.08556	5.6
143.10620	1.2
145.06541	1.4
145.10109	14.1
147.08081	6.4
147.11661	27.3
149.09604	10.3
149.13275	7.0
151.11182	20.8
153.09097	2.0
155.08585	1.8
155.10670	2.6
157.08841	2.0
157.10123	21.9
159.11668	7.5
161.09502	2.9
161.13243	11.4
163.11162	13.8
165.12755	5.4
169.10054	1.8
171.11713	6.1
173.11737	14.4
173.13271	4.5
175.11185	20.4
175.14819	3.6
177.12769	4.2
179.10626	1.8
179.14302	8.7
181.12265	1.9
184.07332	26.4
185.13255	2.3
189.11230	3.8
193.12236	64.4
194.12671	3.9
195.13878	1.9
199.13310	2.4
201.16528	1.6
209.11656	2.6
211.13280	81.5
212.13635	2.8
227.12654	6.6
229.14316	16.9
241.19455	4.7
243.15959	3.6
253.14226	2.4
253.17972	2.6
255.15880	2.7
259.20560	9.7
267.15881	37.1
268.16415	2.9
269.17426	5.2
275.20029	5.9
277.21619	19.7
283.15372	2.8
285.16943	53.5
286.17181	2.2
293.21033	8.6
299.15079	1.8
301.16376	5.4
333.24176	7.3
349.23645	4.4
350.23999	1.6
351.25317	35.8
352.25659	1.7
365.23224	4.7
367.24738	3.1
383.24417	15.7
384.24667	1.7
421.25995	4.1
435.27701	2.0
439.26935	18.9
445.29440	3.0
453.28543	2.9
460.28104	3.0
461.28882	4.5
463.30582	12.7
465.00439	1.5
467.31277	1.8
477.28235	2.0
479.30084	4.7
495.29306	2.5
504.34146	3.4
541.35162	3.3
543.36743	15.7
544.37494	2.2
559.35864	3.3
561.37732	33.8
562.37976	3.2
577.37024	5.5
707.31696	1.9
761.47180	1.5
792.41730	4.5
793.40515	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	792.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.2
55.05509	6.7
57.03432	5.6
60.00157	0.5
60.08158	5.2
61.02908	0.8
61.28094	0.6
67.05502	19.0
69.03412	2.9
69.07069	6.7
71.04980	1.8
71.07360	1.8
71.51633	1.2
72.28565	0.6
72.39665	0.6
73.02882	0.7
79.05490	14.9
81.03413	22.8
81.07051	21.1
83.04983	4.5
83.08617	8.1
84.82091	0.6
85.02896	1.7
85.06529	1.1
86.09700	28.2
91.05476	13.8
93.06486	1.1
93.07038	15.4
95.04961	9.8
95.08597	8.5
97.02889	3.0
97.06524	4.7
97.10165	4.8
98.85870	0.8
98.98456	3.3
99.08157	0.7
104.10723	3.0
105.07026	12.6
107.04939	2.9
107.08588	10.0
109.06500	2.7
109.10159	3.5
111.04439	1.1
111.08062	3.3
113.06014	0.6
115.05430	0.7
117.07024	3.9
119.04911	0.8
119.08562	9.4
121.02838	0.8
121.06500	2.2
121.10154	7.3
123.04425	0.8
123.08035	2.1
123.11690	1.4
124.99096	1.4
124.99994	19.5
125.09604	2.0
129.06999	4.2
130.07359	0.7
131.04895	0.8
131.08554	7.3
132.08818	0.8
133.06503	0.7
133.10110	6.4
135.08041	2.6
135.11696	4.0
137.05884	0.7
137.09581	1.0
141.07056	0.7
142.07751	0.7
143.08507	2.5
145.10117	4.5
147.04372	0.9
147.08028	1.9
147.11664	5.3
149.09563	4.4
149.13257	2.7
153.09085	0.9
155.08635	0.8
157.10115	4.2
159.11658	3.9
161.09589	1.5
161.13235	1.9
163.11179	2.9
165.12730	1.0
169.10094	1.4
171.11696	1.1
173.11784	0.7
173.13303	0.8
175.11169	2.7
177.12712	1.3
179.14302	0.8
183.11745	1.1
184.07330	100.0
185.07729	1.2
189.11227	1.8
193.12192	6.7
195.08090	1.0
195.13782	1.3
211.13121	1.3
227.12672	3.9
229.14215	1.1
231.13878	1.1
249.14893	0.7
255.15829	3.2
257.19147	1.0
267.15903	23.4
269.17487	8.3
275.20065	7.0
285.17050	2.0
293.21063	0.7
307.05984	7.1
349.23691	5.8
367.24863	0.8
369.24435	0.9
387.25412	1.1
409.15332	0.6
421.26218	1.4
435.27426	0.6
439.27356	1.0
443.27753	2.6
447.27509	6.9
449.30035	1.4
459.27142	1.2
461.28964	28.0
462.29593	1.5
473.28925	0.7
477.28592	1.0
479.29910	3.7
523.34308	0.8
535.11810	1.1
541.35205	11.8
559.36194	5.5
563.11182	1.6
577.37195	2.6
580.67456	0.7
581.12292	6.4
644.35358	0.9
724.41486	0.8
742.42670	4.3
793.39124	1.2
798.82422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	39.3
57.03437	9.6
57.07066	12.0
64.43349	7.9
67.05500	88.3
69.03432	10.7
69.07052	29.6
71.08607	34.0
71.51836	12.7
71.87080	7.8
79.05498	72.8
81.03397	13.8
81.07054	100.0
83.04964	15.2
83.08610	24.3
85.32684	8.6
86.09702	22.5
91.05489	67.8
93.07032	93.7
95.08593	71.3
97.06496	16.8
99.08067	13.2
104.25671	8.7
105.07018	51.6
107.08588	38.2
109.10133	25.3
117.07024	18.2
119.08601	22.6
121.10120	34.6
123.08091	10.3
124.99964	13.4
125.12569	9.9
129.07010	10.5
131.08557	22.7
133.10088	15.1
135.11700	24.2
149.13263	15.7
161.13272	17.6
163.11182	9.7
179.14281	42.8
180.21825	9.9
184.07289	69.3
194.51883	8.5
277.21600	27.4
303.46109	10.2
317.17001	11.0
335.25717	28.6
351.25217	30.5
611.46887	66.6
629.47266	16.8
744.53406	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	791.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05508	9.7
57.03437	7.2
57.07076	2.6
57.91108	1.1
60.08176	1.5
61.02922	9.0
64.86266	1.0
67.05505	18.7
68.05828	1.5
69.03429	5.5
69.07070	6.0
69.61980	2.7
69.62391	4.8
71.05005	2.8
71.07369	1.2
71.08643	5.0
73.02921	4.9
79.05492	18.6
79.05927	1.7
80.05844	1.4
81.03421	16.5
81.07055	20.7
82.07403	2.0
83.04988	3.0
83.08618	5.5
85.02908	8.6
86.09712	4.6
91.03961	6.5
91.05480	14.7
92.05811	1.2
93.07039	18.3
94.07389	3.5
95.04965	8.7
95.08601	11.8
96.01848	1.2
97.02892	8.1
97.06545	2.5
97.10165	2.4
98.20799	1.2
99.04465	2.2
99.08105	3.7
101.02402	2.5
105.07030	10.9
107.04958	3.4
107.08605	10.0
109.02879	1.5
109.06525	3.0
109.10152	8.3
111.04416	1.4
111.08089	2.2
117.06963	2.4
119.08559	8.3
120.08934	1.4
120.10225	1.0
121.06496	1.9
121.10171	4.6
122.10461	1.8
123.04218	1.5
123.08136	2.1
125.00029	2.4
125.09639	1.2
127.03912	4.7
129.05510	3.4
129.07022	4.4
131.04909	1.3
131.08571	4.9
132.08888	1.5
133.06624	1.1
133.10127	4.9
135.08014	2.5
135.11694	6.2
136.12019	1.6
143.08546	1.5
145.10141	3.7
147.11679	5.0
149.09602	1.4
149.13313	2.0
151.11229	2.1
157.10143	3.0
157.53329	1.0
159.11702	2.4
161.13274	3.0
163.11263	1.5
171.11745	3.5
175.11319	1.6
177.12749	2.1
179.14331	6.3
180.14719	3.6
184.07335	13.8
185.04253	6.3
185.07724	2.9
189.12816	1.7
193.12404	2.5
201.03615	2.6
211.13161	1.2
223.13348	1.2
229.14441	1.5
243.08356	7.8
247.13013	6.5
267.16010	10.0
268.16281	7.5
273.14624	1.4
277.21735	3.9
278.21951	2.6
287.16165	2.4
301.08960	16.3
303.15604	1.4
313.08865	1.8
315.10596	4.0
345.16901	3.5
349.23779	1.2
351.25360	3.2
352.25839	2.9
357.15143	1.2
369.15366	1.6
371.17068	3.6
373.11087	8.8
379.79468	1.1
383.16733	3.1
385.18356	8.8
391.17496	2.5
401.51721	1.1
413.17923	3.9
416.68549	1.2
423.22598	1.2
429.17694	2.2
429.26291	4.3
435.19958	1.6
437.21661	1.2
443.18726	1.6
455.19034	2.1
457.20566	2.4
465.21005	24.2
466.21506	1.4
475.26749	2.2
481.20377	13.6
481.26920	1.4
495.22049	11.8
496.22995	2.2
524.22455	6.7
537.22913	8.1
543.36737	8.3
544.37146	26.3
565.29852	6.5
567.27661	1.6
579.31561	6.6
580.31848	1.6
607.30841	4.7
608.31891	4.0
625.32336	1.7
637.31952	9.4
663.34271	1.9
690.10687	1.2
705.34528	63.2
706.34216	3.2
738.32721	1.1
773.40625	5.4
791.41736	100.0
792.41437	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	790.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05034	0.7
57.07073	0.1
58.06626	0.4
59.07385	0.1
60.08160	6.5
60.38043	0.1
67.05502	0.2
69.07076	0.1
69.27269	0.9
70.06568	0.1
71.07368	3.3
79.05475	0.2
81.07036	0.3
83.08635	0.1
84.17359	0.1
86.09699	30.0
87.10026	0.4
91.05457	0.1
93.07036	0.2
95.04980	0.1
95.08614	0.2
95.66766	0.1
98.98453	3.0
104.10734	3.0
107.08605	0.1
109.10146	0.1
112.49813	0.1
112.50588	0.1
119.08539	0.2
124.99991	19.5
126.00348	0.1
131.09546	0.1
143.01059	0.4
166.02625	0.3
179.61467	0.1
184.07324	100.0
185.07704	1.2
216.07005	0.1
313.27240	0.1
322.75009	0.1
421.51346	0.1
453.66824	0.1
496.33893	0.3
668.67273	0.1
690.46954	1.0
708.98743	0.1
754.52185	0.1
772.54999	0.7
790.55884	2.6
791.55054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.4
55.05275	2.0
55.05510	24.8
57.03439	12.3
57.07053	3.1
61.02911	2.2
62.92302	1.4
65.03931	1.8
67.05497	49.5
69.03402	5.1
69.07070	13.3
70.77393	3.3
70.77725	2.9
71.04981	8.5
79.05486	53.7
79.25952	1.3
80.05791	1.5
81.03412	46.6
81.06596	2.8
81.07051	51.7
83.04962	5.2
83.08604	17.6
85.02881	6.1
85.06522	4.9
90.49947	1.4
91.05474	53.7
93.07040	51.6
95.04964	19.8
95.08598	31.2
97.02866	4.5
97.06504	6.9
97.10150	10.2
97.66940	1.5
99.08076	3.9
105.07024	46.5
107.04938	6.6
107.08582	28.6
109.06486	6.7
109.10143	15.5
111.08066	6.6
115.05454	2.3
117.07010	20.6
119.08567	41.8
119.10902	1.5
121.06496	7.2
121.10128	21.7
123.08054	4.9
123.11671	2.5
125.09608	10.7
128.06213	4.0
129.06981	14.7
130.07700	1.7
130.58055	1.4
131.08551	26.6
133.06464	2.7
133.10132	22.4
135.08032	4.3
135.11673	11.1
137.09552	2.5
139.11218	1.6
141.06946	3.2
142.07716	3.0
143.08530	11.6
145.06465	2.4
145.10115	24.4
147.08034	5.4
147.11681	20.4
149.09602	6.1
149.13246	4.4
151.11076	2.5
155.08516	5.8
157.10136	15.5
158.10867	1.9
159.11685	16.3
161.09607	2.3
161.13255	9.3
163.11185	5.1
165.12743	2.7
167.08528	3.5
169.10095	6.6
171.11649	11.3
173.09586	2.4
173.13193	7.6
175.11110	4.6
175.14787	4.8
177.12665	2.4
181.10039	3.3
183.11633	5.2
184.07321	3.9
185.13199	7.5
187.11119	1.9
187.14790	3.6
189.11166	4.2
193.10216	2.5
193.12213	7.1
195.11768	4.1
197.13206	4.8
199.11133	1.8
199.14780	4.7
201.16382	1.6
204.55849	1.7
207.11726	3.0
209.13200	2.4
211.14761	2.6
221.13222	2.4
227.12717	8.2
229.14154	2.0
241.19431	4.9
255.15967	1.5
259.20609	19.0
267.15863	18.0
275.20139	2.0
283.15622	1.8
283.20544	3.0
297.21912	2.2
299.20297	1.6
299.23648	7.1
301.21423	1.7
333.24292	13.2
349.23724	2.3
407.23929	2.7
415.29645	3.7
421.25916	8.2
433.30923	10.5
435.27264	4.9
451.32236	10.9
469.32980	7.1
499.33826	2.2
507.34552	5.3
515.37079	2.4
517.35089	4.3
525.35767	51.4
526.36115	3.6
543.36761	100.0
544.37000	4.5
557.38745	9.9
567.36627	2.4
575.39453	12.1
576.39923	1.8
791.39594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.3
55.05511	30.2
57.03439	14.0
57.07063	2.7
65.03943	2.9
67.05502	60.1
68.56825	2.2
69.03416	9.7
69.07070	19.3
70.00284	12.0
71.04989	12.0
73.24088	2.2
79.05492	59.0
81.03415	50.2
81.06599	3.7
81.07056	65.0
83.04974	10.5
83.08618	20.7
85.02895	6.2
85.06532	6.4
86.09699	7.0
88.77640	2.4
91.05486	54.4
92.05799	2.8
93.07040	60.4
93.09687	2.2
95.04370	3.5
95.04957	26.3
95.08605	36.9
96.16563	2.4
97.02885	5.9
97.06516	9.0
97.10157	15.4
98.21476	2.7
99.08042	5.8
100.79437	2.3
103.04781	2.5
105.07028	50.7
106.07375	2.7
107.04932	11.3
107.08588	29.1
109.02865	4.3
109.06485	7.2
109.10166	16.1
111.08067	5.9
117.07014	21.3
119.08587	36.5
121.06500	6.9
121.10148	28.5
123.08049	3.6
123.11688	7.8
124.99955	5.3
125.09628	11.2
127.03865	3.1
128.06157	3.3
129.05466	3.7
129.06985	18.6
131.08575	27.5
132.08864	3.2
133.06493	3.2
133.10127	23.5
135.08038	5.0
135.11684	13.6
137.09610	6.2
141.07025	5.4
142.07753	4.2
143.07542	3.4
143.08530	15.1
145.10115	25.7
147.08046	5.3
147.11661	20.0
149.09622	9.6
149.13254	7.1
151.11198	2.6
155.08542	8.0
157.10109	17.9
159.11664	18.6
161.09625	3.3
161.13274	7.5
163.11186	8.3
169.10118	5.4
171.11636	12.1
173.11761	2.8
173.13255	8.0
175.11111	6.7
175.14752	3.5
177.12796	3.4
181.10103	3.6
183.11674	7.9
184.07329	19.1
185.13261	8.5
187.11147	3.2
189.11179	5.1
193.12245	8.7
194.31372	2.8
195.11687	5.8
197.13176	3.0
199.11060	2.6
199.14818	6.9
211.13135	4.4
213.12718	2.7
221.13307	3.3
227.12698	15.2
229.14391	3.0
233.15279	2.9
235.17010	3.2
241.19505	3.6
259.20511	13.2
267.15930	22.0
269.17444	5.7
275.20041	6.9
277.21716	2.8
283.15417	5.2
299.23651	7.1
301.20190	2.8
325.21466	3.7
333.24252	12.5
349.23889	3.3
415.30084	4.1
421.25635	4.2
433.30774	7.8
435.27380	5.9
449.29419	4.0
451.32047	12.7
461.28851	2.7
463.30676	3.0
469.33267	6.2
477.28561	4.8
495.29175	3.4
507.34674	3.3
517.35040	5.3
518.35785	2.7
525.35815	58.9
541.35571	2.8
543.36768	100.0
544.36505	3.9
557.38013	11.1
575.38910	10.6
791.38647	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.2
55.05509	37.8
57.03434	33.8
57.07074	2.2
59.04986	2.7
61.02928	6.6
65.03933	4.9
67.05501	89.9
69.03428	20.6
69.07064	59.8
70.55636	1.8
70.55988	4.3
71.01363	1.8
71.04988	29.6
73.02912	8.4
78.71824	1.3
79.05017	3.6
79.05488	90.7
81.03416	80.7
81.07051	93.7
83.04974	30.0
83.08613	33.8
85.02903	35.9
85.06541	5.3
86.09702	3.0
87.04475	2.0
91.03965	2.2
91.05476	87.5
93.07042	69.8
93.07645	2.6
95.04968	43.8
95.08601	39.9
97.02883	15.3
97.06525	100.0
97.10164	10.2
99.04443	4.1
99.08085	9.9
101.02346	1.6
103.05472	2.3
105.03371	1.8
105.05305	1.6
105.07025	59.4
107.04956	21.3
107.08589	40.3
109.02866	7.0
109.06508	25.0
109.10152	22.2
111.04485	7.3
111.08079	25.3
113.05982	7.7
115.05454	4.9
115.07565	29.6
117.07017	20.9
119.04944	2.7
119.07705	2.4
119.08571	51.5
121.06525	8.3
121.10146	24.2
123.04436	2.0
123.08054	13.7
123.11695	5.7
125.05967	2.2
125.09599	7.3
127.03898	8.8
127.07574	5.6
128.06190	2.9
129.05473	2.2
129.07004	23.4
131.04901	2.7
131.08568	36.3
131.09531	2.6
133.06514	7.9
133.10129	37.5
135.08060	14.4
135.11671	14.8
137.09618	5.5
139.11159	1.4
139.96339	1.3
141.06978	3.4
142.07779	5.8
143.08548	10.0
145.06493	3.8
145.10114	24.7
147.08040	13.7
147.11670	24.6
148.94731	1.4
149.09636	17.3
149.13240	14.3
151.11177	6.0
153.09128	2.2
153.12767	3.3
155.08539	5.1
157.06503	1.5
157.10118	22.1
159.08043	4.0
159.11699	14.1
161.09615	8.4
161.13164	3.3
163.11159	13.6
165.09158	2.3
165.12746	4.4
167.10635	2.3
169.10100	2.8
171.11691	6.2
173.04456	5.8
173.09605	5.3
173.11804	2.7
173.13254	4.6
175.11154	18.9
177.12772	6.0
181.10107	2.2
183.11748	2.3
184.07373	8.1
185.09616	2.3
185.13217	4.0
187.11230	3.1
187.14812	1.7
189.11214	3.5
189.12737	2.9
191.10625	4.8
193.12238	51.6
195.13765	4.9
199.11183	2.1
199.14830	5.8
201.07689	2.3
201.12790	2.7
203.14362	2.2
209.13506	1.5
211.13266	71.4
211.15254	3.7
217.15894	12.7
223.13174	2.2
227.12671	9.9
229.14250	6.6
233.15356	4.4
235.16870	3.1
237.16376	1.6
245.18918	6.7
249.14764	3.5
253.14400	5.8
253.86243	1.3
255.15656	3.0
255.17957	1.7
257.18976	2.5
261.14908	1.6
267.15872	28.6
269.17474	29.5
273.18469	44.3
275.16751	1.6
275.20047	9.4
279.15622	2.0
283.15411	25.8
285.16943	59.5
289.18066	1.8
291.19495	27.3
303.16141	1.5
307.19058	3.5
313.21619	1.8
329.21213	2.2
341.19608	2.0
347.22223	15.1
349.23807	6.2
365.23154	15.5
437.25256	11.2
447.27969	3.5
461.29007	15.3
465.28842	6.3
471.26660	1.9
477.28485	15.5
479.23495	2.5
479.30017	34.0
499.30539	2.7
507.29428	3.2
517.31641	4.3
539.33411	5.5
557.34723	21.3
575.35724	22.5
593.36877	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	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.4
55.05511	43.2
57.03196	2.3
57.03437	25.9
57.07066	4.3
59.04993	2.1
61.02921	5.9
61.40627	1.4
65.03941	4.8
67.05504	100.0
69.03423	12.1
69.07066	62.2
70.64005	3.7
70.64362	3.3
71.01329	3.0
71.04991	9.3
72.48029	1.8
73.02901	3.9
79.05489	77.6
81.03416	73.9
81.07052	82.4
83.04976	28.2
83.08151	3.0
83.08615	33.7
85.02900	29.0
85.06541	4.4
90.92287	1.5
91.05477	94.3
93.07040	63.3
93.07646	2.4
95.04378	3.0
95.04965	44.0
95.08605	53.9
95.15446	1.7
97.02875	9.3
97.06519	23.3
97.10165	13.3
99.04430	2.3
99.08046	2.6
103.05453	2.7
105.04517	2.2
105.07027	56.7
106.99430	1.6
107.04952	19.0
107.08594	33.3
109.02867	2.4
109.06519	7.7
109.10158	32.0
111.04435	3.4
111.08078	17.5
113.06000	3.8
115.05464	3.0
116.04663	1.5
116.06248	1.6
117.07000	13.3
119.04985	1.6
119.08585	49.3
121.06498	6.8
121.10142	16.6
123.08071	8.9
123.11688	4.1
125.09628	11.9
127.03919	2.3
128.06192	2.0
129.05447	6.6
129.07002	18.2
130.07820	2.0
131.08562	27.8
133.06476	4.6
133.10124	36.9
135.08057	4.8
135.11702	11.0
137.09628	16.1
139.07491	1.7
139.11121	1.9
141.06966	2.3
142.07715	4.6
143.08553	3.8
145.00244	1.6
145.06520	1.7
145.10100	15.8
147.08051	5.8
147.11687	30.1
149.09613	27.0
149.13222	5.3
151.11168	4.3
153.09044	2.2
155.08513	2.9
155.10641	2.2
157.08707	3.0
157.10107	17.2
159.11699	12.7
161.09575	3.8
161.13246	5.9
163.11172	12.3
165.12752	3.8
171.10176	3.0
171.11606	3.6
173.09648	2.8
173.11742	9.0
173.13263	4.0
175.11150	20.9
177.12689	3.0
179.14343	4.3
184.07329	8.1
187.11124	2.8
189.11208	4.0
189.12776	1.7
193.12245	59.3
199.13289	2.0
211.13275	70.6
217.15907	1.6
223.13223	2.4
227.12679	6.1
229.14282	11.1
239.17975	2.8
243.15970	3.0
253.14372	3.5
255.15926	4.9
257.18958	7.7
267.15878	28.7
269.17444	3.0
273.18494	3.9
275.20032	35.3
276.20496	1.7
285.16937	53.3
291.19528	5.7
293.20978	3.9
299.14972	3.2
301.16507	8.7
339.88242	1.6
349.23721	47.0
363.21677	2.1
365.22989	3.6
381.22751	5.1
421.25974	3.4
439.26926	16.9
443.48569	1.7
445.29504	2.7
447.27591	2.1
453.28543	2.9
461.28915	1.9
463.30359	4.6
465.28186	1.8
481.27686	1.7
495.29587	3.2
541.35309	11.3
559.36334	34.2
575.35498	4.5
577.36755	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	790.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.6
55.05510	36.1
57.03434	16.4
57.07071	1.6
59.05002	1.3
61.02908	5.1
65.03930	4.4
67.05504	55.7
69.03426	10.0
69.07063	20.3
69.23010	15.3
71.04996	7.9
73.02885	2.1
79.05494	58.3
80.66962	1.5
81.03417	65.5
81.07054	100.0
83.04979	27.1
83.08617	30.4
85.02898	27.8
85.06532	3.9
86.09682	1.5
91.05478	50.7
93.07040	45.9
95.04381	2.7
95.04966	40.0
95.08601	28.2
97.02899	8.2
97.06528	15.5
97.10160	29.6
99.04438	3.9
99.08099	4.8
103.05477	1.5
105.07025	40.7
107.04952	16.7
107.08588	30.5
109.02895	1.8
109.06522	16.4
109.10161	17.4
111.04437	15.3
111.08085	13.8
113.06010	2.5
115.05451	3.4
116.06203	1.6
117.07024	16.3
119.04932	2.3
119.08575	35.4
121.06490	10.1
121.10145	21.3
121.10957	2.3
123.04404	1.7
123.08065	26.5
123.11684	5.0
125.06024	1.7
125.09632	22.1
128.06230	3.4
129.05479	1.6
129.07001	15.9
131.08553	21.2
133.06459	6.1
133.10106	22.5
135.08035	10.5
135.11682	10.8
137.06006	1.6
137.09615	7.1
139.07547	1.8
139.11136	1.7
142.07770	2.6
143.08546	5.3
145.06471	3.2
145.10106	18.0
147.08028	12.2
147.11690	19.2
149.09605	12.2
149.13194	1.8
151.07520	1.5
151.11206	1.8
153.09096	4.6
153.12717	5.6
155.08543	2.4
157.10120	17.8
159.08054	3.5
159.11659	4.6
161.09601	6.8
163.11169	18.5
165.09113	5.3
165.12755	3.6
167.08467	1.6
169.10127	3.2
171.10240	1.7
171.11667	4.8
173.09642	5.2
175.11180	17.6
177.12802	3.2
181.12242	4.9
183.11723	1.9
184.07365	4.5
185.09695	1.6
185.13245	1.9
187.11101	2.4
189.11206	20.2
189.12761	2.3
191.10622	7.6
193.12241	45.4
201.30338	1.4
205.12190	1.5
209.11726	2.4
211.13274	62.6
223.13272	7.9
227.12756	30.9
227.17821	3.1
229.14313	2.1
245.19026	4.3
249.14906	4.0
255.17445	4.3
263.19803	1.5
265.14404	1.4
267.13101	1.5
267.15912	25.6
273.18469	40.2
275.20114	1.6
283.15259	7.7
285.16959	71.2
286.17398	1.5
291.19528	75.6
292.19962	1.4
309.20633	8.0
313.21301	1.6
329.20795	1.4
347.22220	15.0
349.23459	1.4
365.23215	39.5
383.24268	19.6
437.25323	4.1
447.28677	2.6
455.26285	3.3
459.27362	1.8
465.29660	3.1
477.28464	1.9
479.29675	2.3
483.31015	2.4
539.33533	6.1
557.34668	40.5
575.35736	58.3
576.36194	3.5
593.36780	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.6
55.05511	40.6
57.03157	2.0
57.03436	31.3
57.07068	5.3
59.05001	2.0
61.02919	7.0
65.03937	5.0
67.05502	98.4
69.03426	15.6
69.07066	29.9
70.42713	5.0
71.01346	6.2
71.04994	11.8
73.02918	5.4
77.03919	1.9
79.05490	91.6
80.06280	2.0
81.02937	3.0
81.03416	63.5
81.07052	100.0
82.04195	1.8
83.04978	30.0
83.08147	2.9
83.08618	33.8
85.02428	2.3
85.02903	20.7
85.06544	7.7
86.09705	4.2
91.03936	3.7
91.05476	87.9
93.07038	84.0
95.04964	43.6
95.08601	38.3
97.02892	11.8
97.06531	21.6
97.10155	14.6
98.07324	3.8
98.21455	1.6
99.04440	3.4
99.08115	5.0
103.05476	2.5
105.04541	3.7
105.07027	47.6
107.04964	22.1
107.08585	39.9
109.02890	3.4
109.06522	14.6
109.10159	22.2
111.04452	4.4
111.08085	15.9
113.05990	3.1
115.05469	4.1
115.07527	1.5
116.04694	7.0
117.07011	17.8
119.08577	35.9
121.06492	8.7
121.10144	23.5
123.08053	15.2
123.11708	4.0
125.09627	14.0
127.03924	3.5
127.07570	2.1
128.06194	2.1
129.05486	18.4
129.06990	17.6
131.04916	2.8
131.08562	24.8
133.06493	6.2
133.10127	37.0
135.08055	8.3
135.11679	30.4
137.09569	6.9
139.11185	2.2
141.07004	2.0
142.07755	2.1
143.07016	4.6
143.08568	5.4
143.97824	1.8
145.06511	2.6
145.10121	19.2
147.08075	5.4
147.11687	23.3
149.09576	13.8
149.13261	9.7
151.11191	5.4
153.09122	2.0
153.12698	2.5
155.08557	4.4
157.08606	4.9
157.10129	16.5
159.11679	13.5
161.09642	2.9
161.13286	3.2
163.11186	15.7
165.12770	3.2
167.08342	2.0
169.12204	1.9
171.06436	1.4
171.10176	2.8
171.11642	4.0
173.04468	4.1
173.09607	1.8
173.11794	3.0
173.13278	4.0
175.11151	16.1
175.14799	1.7
176.54582	1.7
177.12769	5.6
179.10689	2.4
179.14267	2.5
181.12218	4.2
183.11655	2.8
184.07368	12.8
185.13249	2.1
187.11218	1.7
189.11226	5.5
191.10643	2.9
193.12242	41.0
194.12386	1.9
195.13808	7.0
197.13174	2.1
199.13269	6.1
200.14079	2.3
201.12680	1.7
209.11751	4.6
211.13284	38.7
227.12752	10.7
229.14401	4.1
233.15404	2.5
243.15840	4.1
249.14949	1.6
253.14401	5.3
255.15854	24.7
257.18912	3.8
259.20557	2.9
267.15891	24.6
268.16528	3.6
269.17471	25.1
273.18396	4.1
275.20047	18.2
283.15466	6.5
284.15805	2.5
285.16913	27.7
285.19794	2.2
286.17459	1.5
291.19675	4.6
299.14893	2.6
301.12982	2.3
301.16437	46.1
333.24216	2.5
341.21054	1.6
349.23773	13.0
385.77432	1.4
405.70389	1.8
411.27344	2.9
423.27423	7.1
439.27490	1.7
447.27405	4.8
453.28397	4.9
461.28922	4.1
465.28387	9.5
477.28537	5.6
478.29425	2.6
479.29803	3.4
481.27740	9.4
495.29404	29.7
541.35010	1.9
554.48566	1.7
557.34631	2.4
559.35822	2.8
575.35577	9.1
593.36578	3.5
694.01538	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	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	19.8
55.05513	50.0
57.03164	2.2
57.03439	30.6
57.07064	7.4
59.04991	2.0
61.02918	11.2
65.03928	4.1
66.40189	1.5
66.53139	1.8
67.05504	92.4
69.03426	18.3
69.07067	39.6
70.97845	4.0
71.01333	1.9
71.04990	11.6
71.08618	3.1
73.02912	10.7
77.03960	2.2
79.05492	89.5
80.06286	3.7
81.03422	34.3
81.07055	100.0
82.03774	1.7
82.04199	8.8
83.01389	1.5
83.04507	2.0
83.04980	28.7
83.08613	30.3
85.02903	13.4
85.06529	7.1
86.09739	2.1
87.04429	2.8
91.03944	3.8
91.05482	95.9
93.07043	83.9
94.04182	2.3
95.04966	37.0
95.08602	47.1
97.02335	1.9
97.02891	14.5
97.06525	22.8
97.10159	17.0
98.07307	8.6
99.04449	4.4
99.08081	6.6
103.05463	2.9
104.06268	2.4
105.04535	1.7
105.07029	72.7
107.04955	13.1
107.07883	3.0
107.08590	49.9
109.02883	1.6
109.06521	14.6
109.10150	24.1
111.04469	4.0
111.08069	10.9
113.09704	1.7
115.05463	5.0
116.04713	11.9
117.07021	28.5
119.08578	62.7
121.06480	7.1
121.10141	26.0
123.04440	2.2
123.08088	12.5
123.11701	4.1
125.00042	2.1
125.09616	18.7
127.03922	6.6
127.11212	2.2
128.06172	3.1
129.05490	36.6
129.06963	20.0
130.07819	2.2
131.08571	37.0
133.06494	4.7
133.10129	46.2
135.04491	2.3
135.08041	9.7
135.11670	22.0
137.09625	6.2
139.11128	1.9
141.09116	1.9
142.07774	4.5
143.07031	9.3
143.08577	10.5
143.10638	2.3
145.04980	2.5
145.06444	3.2
145.10114	26.6
146.10863	1.9
147.08076	4.2
147.11687	30.7
148.12341	2.0
149.09616	12.4
149.13239	13.5
151.11168	4.2
153.09143	3.5
155.08549	4.9
157.08617	15.4
157.10120	14.3
158.05740	2.8
159.11687	26.3
161.09628	3.2
161.13252	17.8
163.11185	12.4
165.12761	3.1
169.10132	4.9
171.10182	5.1
171.11678	10.9
173.09561	2.0
173.11902	3.0
173.13277	9.5
175.11221	9.6
175.14832	5.7
177.12683	4.6
179.14319	3.3
179.94685	2.0
181.12143	1.9
183.11699	2.9
184.07332	10.5
185.13269	7.5
187.14767	3.1
189.11221	12.0
193.12234	7.5
195.11894	2.0
195.13792	6.1
197.13309	2.9
199.13263	7.2
199.14891	3.6
200.14056	2.4
201.14799	2.1
207.13857	2.8
209.11766	4.0
211.13257	4.5
214.22157	2.1
215.17972	2.8
227.12790	11.4
229.14337	2.8
231.21027	2.9
237.89160	1.9
239.18219	2.4
241.19554	10.9
247.20589	2.3
255.16083	2.4
257.18973	7.3
259.20557	30.7
267.15976	9.0
269.17404	16.0
275.20013	21.0
281.17358	2.9
283.15427	6.5
285.17151	2.9
291.19495	2.2
293.21140	3.5
301.16449	64.2
302.16821	2.8
313.21832	2.5
315.23312	3.3
326.77451	1.6
333.24265	20.2
349.23788	11.1
351.25107	2.4
461.28860	3.8
495.29300	15.9
525.35596	5.9
541.35211	2.8
543.35950	5.1
559.36475	8.4
577.37238	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	789.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.7
55.05490	23.3
57.03428	16.4
57.07066	6.6
67.05492	72.5
69.03419	11.1
69.07050	21.7
70.72269	13.4
70.72608	8.3
71.04958	7.5
71.08626	43.9
79.05482	79.5
81.03407	13.0
81.07050	88.5
83.04961	10.1
83.08620	14.6
85.02901	6.6
91.05478	69.7
93.06487	9.0
93.07039	86.5
95.04952	18.8
95.08595	47.2
97.02850	7.5
97.06522	16.6
99.08072	24.1
105.07005	59.1
107.04951	10.9
107.08579	56.8
109.06523	9.9
109.10136	21.7
117.06983	27.6
119.08580	53.5
121.06490	8.0
121.10140	35.9
124.99974	9.1
129.06999	13.6
131.08542	24.4
133.10126	36.4
135.11707	32.6
143.08505	17.0
145.10146	29.6
147.11668	19.4
149.13193	8.1
151.11174	11.9
157.10226	5.9
159.11664	13.7
161.13223	28.6
171.11650	13.8
173.13208	14.5
175.14806	9.5
179.07036	6.2
179.14308	55.2
181.04962	10.3
184.07361	33.8
199.14763	5.9
207.06427	9.0
235.06035	12.5
241.19449	20.8
259.20526	21.8
275.20111	9.6
277.21634	47.1
307.15274	6.9
315.23102	8.8
333.24133	52.5
335.25800	9.5
349.23575	8.8
351.25146	34.3
545.38232	10.9
563.39154	100.0
564.39026	12.7
609.45068	67.3
627.45880	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	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01683	1.6
55.01873	17.4
55.05243	2.5
55.05508	43.7
56.05834	2.2
57.03198	2.6
57.03437	28.8
57.07074	8.7
61.02914	8.7
63.96420	1.6
65.03931	8.5
67.05500	92.8
69.03426	17.0
69.07063	33.7
69.47839	14.4
70.74679	1.8
71.04982	17.3
73.02907	6.1
73.29848	1.7
75.06926	1.7
79.05486	91.8
81.03410	30.6
81.07050	95.7
82.04191	3.1
82.07392	2.5
83.04968	27.4
83.08605	24.5
85.02893	13.6
85.06527	5.6
87.69437	1.7
91.03941	5.3
91.05471	100.0
93.07037	80.3
93.07636	2.6
94.07316	2.1
95.04961	27.8
95.07990	3.0
95.08599	49.3
97.02890	13.8
97.06510	19.6
97.10153	18.7
98.07305	7.3
98.20832	3.7
99.08076	7.3
103.05469	5.3
104.88436	2.0
104.89165	2.2
105.04531	2.8
105.07020	73.2
106.07300	2.5
106.32727	1.6
107.04939	15.9
107.08575	49.8
109.02881	2.6
109.06538	11.3
109.10156	20.1
111.04449	5.3
111.08071	10.9
113.09671	2.2
115.05421	3.6
116.04702	9.1
117.07011	29.2
119.08570	61.6
120.09396	2.0
121.06474	9.4
121.10128	24.6
123.08083	9.7
123.11693	5.4
125.00048	2.1
125.09663	16.1
127.03923	5.2
128.06235	2.9
129.05460	28.5
129.06946	15.5
130.07805	3.6
131.04892	2.7
131.07619	2.1
131.08572	32.6
133.06445	2.6
133.10112	52.7
135.08035	10.1
135.11681	21.5
137.09604	6.8
141.06984	2.4
142.07745	2.2
143.07028	7.9
143.08496	10.7
143.10603	2.4
145.04944	3.3
145.06456	2.6
145.10106	27.5
146.10802	2.0
147.08063	6.5
147.11674	39.1
149.09627	11.1
149.13237	20.5
151.07480	1.8
151.11176	4.8
155.08592	3.8
157.08778	11.8
157.09984	13.5
159.08105	2.4
159.11664	22.9
161.13242	18.4
163.11174	13.2
165.12718	4.6
167.10701	1.8
169.10164	4.5
171.10359	2.4
171.11653	9.7
173.09621	3.1
173.11836	4.5
173.13274	11.6
175.11172	5.0
175.14828	7.4
176.71068	1.8
177.12747	5.8
179.14235	3.8
183.11703	4.8
184.07327	8.6
185.13232	4.7
187.11073	2.1
189.11201	7.7
189.12708	2.5
191.14233	2.0
193.12233	8.7
195.13779	6.4
197.13271	3.9
199.13239	4.7
199.14912	4.0
200.14084	2.3
201.14764	2.5
209.11594	5.3
210.12500	2.5
211.13258	4.4
215.17851	2.1
227.12746	12.1
229.14374	3.1
229.19533	2.4
231.17538	2.4
231.21053	5.2
239.18091	1.8
241.19528	12.5
247.20628	2.0
251.16246	2.4
255.15756	2.6
257.19025	6.6
259.20569	40.0
267.15866	8.4
268.16269	3.0
269.17465	22.7
275.20004	24.5
281.17618	2.8
283.15335	4.7
284.23929	2.2
289.21725	2.2
293.21021	2.0
301.16461	44.3
301.19931	4.6
313.21692	3.6
315.23178	3.2
321.17105	2.0
333.24225	25.4
349.23709	14.5
437.29214	3.9
449.29160	3.2
463.30020	3.0
495.28500	12.4
517.34998	6.9
525.35797	4.5
541.35345	3.7
542.35297	5.5
543.36133	13.9
559.36182	12.1
575.38275	3.1
577.36938	6.3
744.35541	5.4
762.09552	2.2
793.87006	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	789.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01676	1.6
55.01874	17.8
55.05509	39.3
57.03437	14.7
57.07065	5.7
57.70315	1.7
59.04995	2.9
61.02925	14.3
65.03925	5.2
67.05502	88.7
69.03426	18.9
69.07062	35.8
71.04992	5.7
71.08626	14.4
71.51524	3.4
73.02905	6.6
79.05492	57.2
80.83851	1.9
81.03408	25.8
81.07053	78.6
83.04986	12.0
83.08610	20.9
85.02905	15.2
85.06536	4.6
86.09710	5.3
87.04486	2.5
91.03951	5.1
91.05471	54.9
93.07037	66.3
95.04987	16.2
95.08593	57.2
97.02894	16.6
97.06531	16.2
97.10157	14.5
99.04438	6.8
99.08096	10.1
103.05457	2.7
105.07024	55.0
107.04948	6.0
107.08588	38.1
109.02876	6.2
109.06511	8.3
109.10147	35.2
111.04380	2.2
111.08073	5.8
115.05445	3.7
117.07004	31.6
119.08570	39.3
121.06490	4.7
121.10146	25.8
123.08072	5.5
123.11690	10.5
125.00015	4.5
125.09624	11.5
127.03908	6.7
128.06192	4.4
129.05484	3.1
129.07008	19.1
130.07727	2.3
131.08551	36.5
133.06500	3.5
133.10136	27.0
135.08060	5.6
135.11664	16.6
137.13263	1.9
139.11153	2.6
141.06979	6.8
142.07773	3.8
143.08545	23.9
145.10121	28.9
146.10559	2.0
147.11665	19.8
149.09598	7.1
149.13177	9.7
151.11186	5.5
155.08569	11.3
155.10657	2.0
156.09285	3.2
157.10126	20.6
159.11671	24.3
160.83902	1.9
161.09583	2.7
161.13245	12.1
163.11159	5.9
163.14822	4.2
165.12703	3.0
165.16266	2.4
166.07840	2.2
167.08487	4.6
169.10146	11.6
170.10681	2.6
171.07977	2.1
171.10239	2.9
171.11662	17.0
173.04434	4.9
173.09526	3.1
173.11775	4.0
173.13252	14.4
175.11203	2.9
175.14757	4.8
177.12682	3.1
177.16457	2.5
179.08478	3.3
181.10112	7.5
183.10147	3.1
183.11607	11.7
184.07335	11.7
185.09648	2.5
185.11905	2.3
185.13269	14.2
187.11208	2.0
187.13293	3.2
187.14810	9.2
189.11211	6.1
189.16371	4.4
195.11746	5.0
197.13257	11.7
199.14803	11.3
201.12733	2.1
201.16313	5.6
203.14359	2.0
203.17938	2.0
207.11673	2.8
209.13243	8.9
211.14818	4.9
213.16353	5.6
215.18030	4.1
217.19531	2.0
221.13197	3.0
223.14847	5.3
225.16428	4.3
227.10765	2.3
227.12643	10.1
229.14342	6.3
229.19531	4.1
233.15271	2.2
239.18031	4.0
241.19519	6.4
243.20953	3.1
257.19070	4.3
259.20560	6.2
261.22104	5.3
267.15927	3.4
273.18646	2.5
275.20123	15.0
277.21692	7.0
285.22079	2.7
301.21790	2.1
309.22336	2.6
315.23291	2.4
327.23395	2.7
333.24356	4.6
335.25812	11.9
341.24673	2.9
349.23544	6.8
351.25497	3.4
365.28442	2.5
367.29935	3.2
381.31326	3.4
385.23611	1.9
421.30826	2.6
423.32602	2.6
437.34048	3.0
441.33661	4.6
489.35806	2.1
497.36340	2.3
513.35565	17.7
515.37561	21.7
517.39972	5.4
527.37018	8.5
529.39111	5.1
535.41486	5.6
545.38416	2.7
553.42389	4.5
591.44250	3.3
609.45087	59.4
610.45374	4.7
627.46204	100.0
628.46271	5.6
689.42487	2.7
735.47717	3.7
753.48560	3.8
771.50360	9.2
789.51343	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	13.7
55.05508	34.6
57.03425	9.5
57.07071	6.9
61.02915	19.1
65.03924	4.9
65.04491	4.0
67.05505	83.5
69.03425	16.7
69.07072	27.6
71.04983	3.8
71.08633	11.4
71.51518	7.3
73.02896	5.2
79.05495	59.3
80.50056	3.5
81.03410	25.6
81.07058	74.2
83.04980	14.5
83.08620	20.4
85.02889	15.1
85.06544	5.1
86.09724	5.6
91.03950	10.2
91.05484	52.8
93.07039	57.1
93.07590	7.2
95.04952	16.5
95.08612	51.4
97.02887	14.8
97.06535	13.0
97.10176	10.7
99.08089	10.7
104.56317	3.6
105.07027	54.3
107.04945	7.0
107.08616	32.6
109.02850	6.0
109.06513	5.5
109.10166	30.9
111.08087	5.3
113.16225	4.2
117.07004	30.8
119.08585	34.7
121.06532	5.9
121.10118	18.7
123.08027	5.3
123.11723	7.6
124.96388	3.8
124.99934	4.8
125.09621	10.1
127.03911	8.8
129.06996	13.6
131.08563	39.4
133.06529	7.3
133.10129	23.8
135.07993	5.6
135.11691	11.0
137.09621	5.5
141.06982	4.7
143.08575	21.1
145.10133	24.7
146.10304	5.0
147.08089	4.5
147.11627	18.9
149.09607	7.3
149.13275	7.8
151.11214	5.9
155.08539	12.5
157.10118	19.9
159.11687	17.4
161.13264	9.1
163.11205	5.2
167.08586	6.5
169.10156	13.2
170.01903	3.6
171.11679	15.4
173.13272	10.7
177.12709	4.6
181.04921	4.3
181.10182	5.1
183.11691	13.7
184.07344	20.9
185.13258	12.8
187.14795	6.5
189.11160	5.5
195.11694	5.8
197.13222	8.3
199.09489	3.7
199.14838	8.8
207.06543	7.2
207.11845	4.2
211.14857	10.4
213.16333	4.4
227.12718	5.8
227.17871	6.7
229.14395	3.9
235.05966	10.9
239.17853	4.0
257.19058	5.0
259.20480	5.7
274.45938	4.7
275.20139	22.5
277.21634	5.8
333.24146	8.4
335.25705	13.3
335.29691	4.0
349.23831	5.1
365.28229	4.0
381.31665	5.5
495.88245	4.4
504.07449	4.1
513.35779	13.1
515.37268	12.1
527.37067	9.0
529.38782	7.4
535.41107	5.6
545.37952	11.6
563.39081	22.9
599.46545	5.1
609.45227	57.3
610.45215	9.9
627.46173	100.0
785.30927	4.6
789.50708	14.1
809.21490	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	788.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
57.07080	0.2
58.06623	0.6
60.08160	6.7
62.46126	0.2
67.05499	0.3
71.07368	3.6
79.05477	0.3
81.07043	0.5
83.08619	0.2
86.09702	32.3
87.10027	0.2
87.29630	0.2
93.07046	0.2
95.08593	0.3
98.98454	3.2
104.10741	3.0
107.08586	0.2
109.10151	0.2
116.99458	0.2
124.99998	21.2
132.71338	0.1
143.01044	0.4
184.07330	100.0
185.07622	0.4
219.17484	0.2
229.70877	0.2
244.79608	0.2
264.05017	0.2
319.41391	0.2
690.46289	0.5
770.53247	1.1
788.54352	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
58.06312	0.2
58.06621	0.5
59.07384	0.2
60.08161	6.3
67.05492	0.2
70.06595	0.1
71.06988	0.2
71.07372	3.4
80.97430	0.1
86.09700	32.4
87.10033	0.2
93.07049	0.1
98.98461	3.5
104.10738	3.3
116.99477	0.2
124.99995	22.5
143.01028	0.3
154.36397	0.1
166.02730	0.1
184.07329	100.0
185.07674	0.7
268.27982	0.1
405.26624	0.1
496.33606	0.2
607.91302	0.1
654.14771	0.1
676.44885	0.2
690.47083	1.1
770.52899	0.6
788.54364	2.4
789.53876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05037	0.6
58.06360	0.2
58.06612	0.4
60.08160	5.9
63.21132	0.2
67.05498	0.3
68.51677	0.2
69.07026	0.2
69.34910	1.0
69.35345	0.8
71.07371	3.3
79.05455	0.3
81.07043	0.5
86.09701	30.6
89.46726	0.2
91.05511	0.3
93.07031	0.4
95.08591	0.5
98.98461	2.9
104.10747	2.6
105.07024	0.3
107.08579	0.4
119.08551	0.3
124.99995	21.6
143.01083	0.3
156.57555	0.2
165.10388	0.2
166.02687	0.3
173.13297	0.2
184.07329	100.0
185.07632	0.7
293.88409	0.2
473.63074	0.2
479.61530	0.3
526.62451	0.2
770.53369	4.0
771.52209	0.3
788.54260	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	788.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05034	1.5
57.07077	0.1
58.06623	0.7
58.75594	0.1
59.07402	0.1
60.08158	10.1
60.73496	0.1
67.05506	0.2
69.07071	0.2
69.77607	0.6
69.78015	0.3
70.06567	0.2
70.84476	0.1
71.07368	5.6
71.08617	0.2
79.05485	0.2
81.07043	0.2
81.62822	0.1
86.09698	49.6
87.10040	0.3
91.05494	0.2
93.07036	0.3
95.08639	0.2
98.98459	5.6
104.10736	4.9
104.11430	0.3
106.13853	0.1
124.99991	34.4
128.80713	0.1
135.40239	0.1
135.79597	0.1
143.00993	0.5
166.02660	0.2
184.07324	100.0
185.07808	0.7
496.33859	0.2
770.53180	1.9
788.54260	1.4
817.44989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.2
55.05510	31.2
57.03436	15.2
57.07075	2.7
59.04992	2.4
60.08155	2.9
61.02913	1.9
65.03909	4.5
67.05501	100.0
69.03417	7.4
69.07064	27.7
71.04977	7.9
71.51405	1.9
73.06538	3.4
74.22903	1.8
79.05020	3.7
79.05488	89.6
81.03419	29.3
81.07050	90.4
83.04974	23.4
83.08615	20.7
84.50607	2.1
85.02903	8.8
85.06530	7.5
86.09712	12.9
91.05476	78.6
93.07037	78.5
94.32486	1.9
95.04960	38.0
95.08001	2.3
95.08601	42.5
95.69029	1.8
97.02887	4.4
97.06525	15.8
97.10140	10.5
99.04437	2.2
99.08083	2.1
100.32088	2.0
103.05480	2.7
105.07027	57.2
107.04947	18.9
107.08581	44.3
109.02869	3.7
109.06519	16.3
109.10154	39.7
111.04436	3.6
111.08067	7.1
113.06013	2.7
113.09656	2.5
115.05399	2.2
117.07021	19.9
119.08574	42.1
121.06504	7.1
121.10136	17.3
123.08049	7.0
123.11707	6.8
125.00002	6.2
125.09586	6.4
127.03855	2.5
128.06204	4.1
129.05489	2.5
129.07004	19.9
131.04886	2.6
131.08545	17.1
133.06506	5.4
133.10121	33.1
135.08032	7.6
135.11699	13.0
137.09590	5.5
142.07773	4.2
143.08571	11.3
145.06354	2.2
145.10120	22.3
147.08046	6.1
147.11682	35.9
149.09627	13.0
149.13252	8.7
151.11166	7.9
153.09099	2.6
155.08470	2.8
157.10123	5.9
159.08028	2.1
159.11743	13.0
161.09608	8.0
161.13234	10.7
163.07506	2.1
163.11169	9.8
165.12723	2.2
169.10109	3.0
171.11687	19.0
173.09544	2.8
173.11758	5.5
173.13240	4.2
174.37297	2.0
175.11119	4.6
177.12701	5.0
179.14323	2.0
181.12221	3.7
184.07333	33.3
184.08821	3.3
185.13330	2.2
187.14803	2.2
189.11272	3.8
189.12796	6.3
193.12202	8.2
195.13832	2.4
199.14873	2.8
207.13795	21.9
209.11691	3.3
211.13281	7.0
223.13237	2.1
227.12772	10.4
229.14352	17.8
240.82509	1.8
253.14343	7.6
257.18893	5.9
267.15845	6.6
269.17422	16.2
273.18475	7.1
275.20062	31.3
281.17438	63.1
283.15308	5.2
285.16943	8.4
289.17938	4.4
291.19568	11.9
293.21072	2.4
299.14893	8.0
301.16516	6.8
347.22150	4.3
349.23807	18.6
363.21149	1.7
365.23117	5.3
367.24710	6.7
435.27393	62.9
451.26822	2.4
475.30545	84.2
483.03214	2.4
493.27682	10.2
537.35205	3.9
541.35089	3.3
555.36786	43.6
559.35834	3.2
573.36713	16.1
591.35254	13.6
619.34424	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	788.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.4
55.05271	1.5
55.05511	18.3
57.03433	10.4
57.07068	2.1
59.04992	0.9
61.02920	3.3
65.03923	2.9
67.05502	42.5
68.05827	2.0
69.03426	6.0
69.07066	22.1
69.65968	4.6
69.66379	1.9
70.07372	0.9
71.01335	1.7
71.04996	5.8
73.02908	1.6
79.05489	31.0
80.05824	1.4
81.03418	38.7
81.07052	41.5
81.07538	2.0
82.07384	2.2
83.04977	7.5
83.08615	13.9
83.09069	1.4
85.02894	5.0
85.06548	3.3
86.09711	4.2
91.03946	1.5
91.05478	43.9
92.05854	1.1
93.07043	29.9
95.01331	3.1
95.04967	18.4
95.08603	24.0
95.09185	1.8
97.02882	4.6
97.06527	12.4
97.10181	5.0
99.04443	1.2
99.08096	3.6
103.05511	1.3
105.04530	0.9
105.07030	45.5
106.07335	1.3
107.04955	11.7
107.08588	17.2
109.02877	1.5
109.06528	6.0
109.10151	12.7
111.04473	1.7
111.08074	5.7
113.09671	1.2
115.05477	1.7
116.04770	0.8
117.07014	10.4
119.04993	1.0
119.08575	29.1
120.08893	1.8
121.06506	5.1
121.10133	11.9
123.04432	1.3
123.08067	4.0
123.11698	2.3
125.00029	2.4
125.09612	5.6
127.03932	1.8
127.07564	0.9
129.05469	2.1
129.07007	8.9
131.04950	1.2
131.08565	16.5
133.06487	3.4
133.10127	26.0
134.10460	1.2
135.08035	2.9
135.11731	6.8
137.09647	2.9
139.07552	1.6
139.11278	0.9
141.06987	2.8
142.07751	3.3
143.08537	5.5
145.06502	1.7
145.10109	12.9
146.10411	1.2
147.08057	2.1
147.11670	12.9
149.09647	9.1
149.13257	5.2
151.11179	3.7
153.09178	0.9
155.08542	4.0
157.10127	9.2
159.11690	8.8
160.12041	1.1
161.09621	1.9
161.13266	4.6
163.11153	4.6
165.09137	1.1
165.12773	1.6
167.08606	1.1
169.10146	3.6
171.10333	1.4
171.11617	4.8
173.09697	1.1
173.13219	4.2
175.11162	6.4
175.14883	1.5
177.12787	2.7
179.14316	5.6
181.10130	1.5
183.11688	4.0
184.07339	16.1
185.13289	2.8
187.11151	1.9
187.14885	1.5
189.11232	2.2
189.12831	1.6
193.12218	10.1
195.11745	2.5
197.13287	2.3
199.14754	2.2
209.13222	1.4
211.13237	5.8
211.14984	1.7
215.17921	0.9
217.15959	1.5
227.12726	3.1
229.14363	1.9
229.19388	1.0
239.18018	1.4
241.19693	1.4
247.20422	1.3
249.14920	1.2
253.14417	6.0
257.19034	4.9
258.19312	0.9
259.20566	2.8
267.15903	37.2
268.16302	1.0
269.17499	2.7
273.18604	2.4
275.20056	29.9
276.20462	1.7
285.16980	6.9
291.19427	2.0
293.21008	2.2
301.16476	1.7
333.24268	1.8
349.23724	23.0
365.23499	1.6
386.67151	1.2
461.28958	4.8
479.29779	4.4
513.35571	2.5
514.36157	3.3
525.35724	2.0
529.38879	3.5
541.35254	100.0
542.35675	3.2
543.36792	2.9
544.37061	2.1
559.36414	6.3
591.35590	1.8
608.43738	6.6
611.46503	3.7
625.44257	2.7
626.35315	1.3
626.44952	11.2
629.46716	1.0
750.32007	1.0
770.49347	1.4
788.49445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.3
55.05508	27.0
57.03165	1.0
57.03433	15.8
59.04985	5.2
61.02906	3.0
65.03926	2.4
65.87415	0.9
67.05502	35.4
69.03425	5.5
69.07064	11.1
70.82990	2.3
70.83341	1.3
71.01343	1.5
71.04988	6.8
71.44928	1.0
71.63371	1.1
73.02911	0.9
74.30434	0.9
77.03900	0.9
78.63394	0.9
79.05490	33.0
81.03412	56.9
81.07049	34.8
83.01332	5.3
83.04514	0.9
83.04980	22.2
83.08615	25.4
85.02907	24.8
85.06523	2.8
86.09684	1.5
87.04454	3.4
91.05472	37.4
93.07034	31.9
95.04961	25.7
95.08606	14.4
96.82410	0.9
97.02876	6.2
97.06532	9.0
97.10167	10.3
97.20464	1.0
98.97711	1.2
99.04446	3.1
99.08084	2.5
101.05978	1.2
105.06325	2.1
105.07021	25.9
107.04941	11.3
107.08585	21.2
109.02860	1.6
109.06518	8.4
109.10133	10.0
111.04435	9.6
111.08069	12.3
113.06006	2.4
115.05442	2.5
116.06235	1.1
117.07005	8.4
119.04941	1.2
119.08581	25.6
121.06515	6.0
121.10139	15.0
123.04379	1.4
123.08054	9.7
123.11685	2.9
125.05979	2.3
125.09634	5.8
128.06209	1.4
129.05418	1.2
129.07008	9.7
131.04913	1.5
131.08571	12.7
133.06439	3.0
133.10124	12.9
135.08040	6.3
135.11694	14.1
137.05939	2.0
137.09599	5.7
139.07549	1.1
141.06947	1.0
142.07756	1.8
143.08537	3.1
145.06447	3.2
145.10106	14.5
147.08034	4.3
147.11676	12.3
149.05959	1.3
149.09601	8.5
153.08987	1.0
153.12703	4.2
155.08540	1.9
157.10118	11.1
159.08002	4.7
161.09615	2.2
163.07530	2.6
163.11174	22.4
165.09102	2.1
165.12723	2.7
165.26276	0.9
169.10092	1.3
173.09605	5.3
173.11797	1.1
173.13257	1.2
175.11163	10.8
181.12167	5.6
184.07358	7.0
189.11165	2.0
191.10663	4.4
193.12216	29.3
199.07570	1.1
199.13258	1.0
205.47568	1.0
209.11673	8.6
211.13274	40.0
212.13608	1.2
227.12740	11.4
229.14339	3.9
243.17514	1.2
255.15663	1.2
259.35434	1.1
261.15137	1.2
261.18274	1.4
263.16605	0.9
267.15891	19.8
268.16074	1.4
271.16840	5.3
283.15387	25.4
284.15955	1.2
285.16946	46.6
289.17990	15.1
303.04761	1.3
307.19022	6.6
311.14722	1.0
363.21692	5.9
365.23392	1.6
381.22656	18.6
383.22137	1.2
390.84082	1.2
401.23392	1.3
423.08380	1.0
457.25778	3.8
475.26910	22.9
493.27936	100.0
494.28058	3.3
555.32764	6.1
573.34082	13.3
588.20990	1.4
590.11884	2.8
591.26221	1.8
591.35248	26.6
626.14014	10.3
627.14087	1.9
752.49121	1.1
777.73615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01631	2.0
55.01870	24.7
55.05510	48.5
57.03428	21.7
57.07051	4.4
59.04987	5.3
60.08156	2.6
61.02924	8.9
61.90973	1.3
65.03921	5.5
67.05502	100.0
68.05834	1.9
68.44946	1.8
69.03421	15.4
69.07065	67.4
70.04859	6.6
71.01331	3.3
71.04993	8.9
73.02906	5.0
73.52105	1.5
75.16258	1.5
79.05490	77.1
80.05831	2.1
81.03415	34.5
81.07050	78.8
82.04185	1.7
82.07381	3.1
83.01337	10.1
83.04969	26.0
83.08613	31.7
85.02903	15.6
85.06526	4.8
86.09700	12.3
91.03955	2.6
91.05479	70.1
93.07037	72.5
94.07346	2.0
95.04967	29.9
95.08603	59.5
97.02879	16.2
97.06530	24.1
97.10167	20.2
98.07289	2.1
98.98434	1.8
99.04429	4.2
99.08092	3.9
103.05439	3.7
105.04478	2.7
105.07024	53.5
107.04954	25.5
107.08586	42.3
108.08864	1.7
109.02850	3.0
109.06508	14.5
109.09485	2.8
109.10155	36.5
111.04428	6.4
111.08083	8.6
115.05456	2.5
116.04716	4.3
117.07021	24.9
119.04913	2.0
119.08574	39.8
121.06496	10.3
121.10129	22.0
121.30058	1.3
123.04440	2.2
123.08065	17.4
123.11684	5.5
124.99993	8.0
125.05941	2.0
125.09618	18.6
127.03875	3.7
128.06223	3.6
129.05463	14.6
129.06963	9.6
130.07733	3.5
131.04861	1.8
131.08554	22.9
133.06450	4.7
133.10123	30.1
135.08072	10.1
135.11676	25.9
137.09601	21.0
139.07497	2.8
139.11166	2.1
140.25636	1.6
141.06963	2.7
143.07065	3.2
143.08524	5.9
143.10701	1.5
145.06494	1.9
145.10121	30.7
146.05994	1.6
147.08020	8.4
147.11679	14.9
149.09621	19.2
149.13219	5.4
151.07501	1.8
151.11214	4.4
153.09100	2.5
153.12720	6.3
155.08530	4.7
155.10648	1.9
157.08601	6.5
157.10107	5.3
159.08124	1.5
159.11708	13.3
161.09602	6.7
161.13234	7.1
163.09885	2.6
163.11176	42.7
165.09056	2.3
165.12695	1.8
169.10162	2.7
171.06372	2.0
171.10205	2.4
171.11671	4.7
173.04408	2.1
173.09715	7.5
173.11720	8.3
173.13264	6.6
175.11154	5.8
177.12735	5.8
179.14291	5.7
181.12202	6.4
184.07326	41.5
184.34229	1.5
185.13293	1.7
187.11172	3.3
188.06956	2.5
189.11168	7.3
189.12656	2.3
191.10696	4.8
193.12196	6.3
199.13228	3.5
209.11688	10.0
211.13200	3.3
223.11194	2.3
223.13234	14.7
227.12769	18.3
229.14317	7.5
229.19458	3.1
239.17990	3.4
253.14218	2.2
255.15802	2.0
257.19009	6.2
267.15891	6.2
273.18427	11.5
275.20041	32.7
283.15372	76.5
284.15753	1.8
291.19522	65.0
293.21042	5.2
297.17065	3.3
301.16431	24.4
331.22675	2.6
349.23718	36.9
350.24017	1.7
363.43503	1.5
365.23230	24.0
379.20966	8.7
437.25351	23.7
451.26669	2.8
461.28864	11.9
505.27029	1.8
539.33716	2.8
545.37921	2.0
557.34625	43.2
558.34827	3.2
573.34283	5.8
574.34491	3.0
575.35522	6.2
591.35236	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	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.2
55.05273	2.9
55.05508	36.9
57.03434	18.3
57.07068	8.0
59.05001	3.4
61.02930	18.0
65.03925	2.6
67.05500	82.3
69.03421	22.6
69.07061	34.6
70.96872	3.6
70.97217	3.1
71.05006	10.4
71.08621	5.0
73.02910	12.4
79.05491	62.6
81.03412	24.7
81.07050	86.2
83.04961	10.4
83.08614	22.0
85.02895	19.1
85.06541	5.8
87.04449	2.4
89.06020	3.3
91.03935	7.7
91.05476	63.9
93.07037	62.5
95.04950	13.3
95.08604	58.4
97.02892	20.6
97.06518	25.8
97.10154	10.2
99.04459	7.3
99.08069	7.9
101.02352	3.6
103.05443	5.3
105.07031	56.6
106.27549	2.1
107.04948	7.8
107.08585	39.3
109.02903	4.8
109.06535	16.2
109.09599	2.2
109.10161	24.4
111.04431	4.2
111.08051	7.6
113.09642	2.8
115.03932	2.6
115.05440	5.7
117.06997	28.3
119.08569	42.4
121.06483	6.0
121.10140	23.2
123.08051	7.8
123.11687	6.6
125.09594	6.7
127.03897	8.2
128.06186	6.1
129.06993	20.8
131.08563	39.2
133.06503	3.9
133.08583	4.4
133.10126	28.8
135.08037	7.0
135.11667	17.3
137.09639	4.7
141.06973	12.3
142.07755	6.8
143.08565	30.2
145.06491	4.7
145.10098	31.7
147.08009	4.0
147.11673	24.7
149.09619	13.0
149.13313	5.8
151.11142	5.6
153.07045	2.8
153.09084	3.3
155.08531	25.3
155.10565	2.3
155.29565	2.0
157.10117	30.4
158.07278	2.3
159.08051	5.1
159.11670	28.4
161.09579	4.1
161.13258	13.3
163.11124	7.3
163.14734	4.4
165.07031	2.6
165.12791	2.9
167.08521	11.2
169.10120	23.4
171.11679	20.5
173.09639	2.8
173.13211	15.0
175.11154	6.5
175.14851	4.1
177.12697	2.3
179.08546	5.9
179.14323	5.8
181.10109	14.2
183.11655	20.6
184.07291	9.6
185.09627	4.1
185.13245	14.1
187.14822	8.8
189.11145	3.3
189.12715	2.5
189.16331	3.4
191.08533	2.6
193.10068	4.8
195.11687	14.3
197.13248	18.3
199.11203	2.4
199.14847	8.0
201.12683	2.2
201.16379	5.9
203.14359	3.5
207.11679	5.6
209.13211	11.5
211.14764	7.9
213.16380	4.7
215.14328	2.9
215.17944	3.4
219.11783	3.1
221.13284	5.7
223.14767	8.1
225.16455	4.5
227.12660	3.9
227.18025	2.8
227.20006	34.8
228.20415	18.2
229.14299	2.8
233.13287	3.4
235.14806	4.4
237.16351	6.3
239.17958	6.1
241.19414	4.1
245.18954	3.3
253.19695	2.5
257.18924	7.4
259.20483	8.8
265.19550	4.0
273.18533	5.5
275.20093	17.1
277.21756	4.4
285.22134	2.7
293.21207	3.0
301.21628	3.2
315.23227	2.8
323.23709	3.1
327.23221	3.3
333.24265	7.8
335.25851	4.6
349.23779	10.7
365.28384	2.8
405.27563	2.3
421.30975	2.9
465.34665	2.8
495.34821	2.3
501.34888	2.3
513.35815	18.5
514.36481	2.3
515.38098	7.8
527.37177	4.5
533.39838	8.7
539.37109	4.5
541.38623	7.2
551.40814	6.4
553.38892	5.6
567.40479	5.8
589.42523	5.7
607.34235	3.5
607.43524	65.5
608.43365	4.7
619.43097	3.0
625.44550	100.0
626.44592	6.6
628.46564	5.8
679.21936	2.3
733.46655	4.0
751.47461	4.0
769.48523	7.8
787.49628	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	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	27.5
55.05508	41.0
57.03440	12.0
57.03683	2.4
57.07063	6.8
58.62551	2.3
61.02928	12.5
63.12646	2.5
65.03940	5.2
67.05504	86.2
69.03422	24.1
69.07068	49.7
70.08704	9.9
71.04977	10.4
73.02914	4.2
73.86571	2.4
79.05492	67.1
80.05815	2.6
81.03417	42.6
81.07052	100.0
82.07362	2.9
83.04975	13.9
83.08618	18.6
85.02893	16.1
85.06537	5.0
89.15680	2.4
91.03938	4.9
91.05478	71.1
93.06514	3.1
93.07037	79.3
95.01350	2.9
95.04961	20.9
95.08605	58.5
97.02885	21.5
97.06515	29.5
97.10148	7.1
99.04441	9.5
99.08096	4.6
102.96933	2.5
103.05470	4.0
105.04530	3.8
105.07026	82.3
107.04945	11.1
107.08590	50.0
109.02880	8.2
109.06520	9.6
109.10152	22.2
109.78291	2.3
111.04422	3.7
111.08068	6.9
115.05448	5.3
116.06245	2.7
117.07014	32.1
119.08572	58.2
120.08971	2.3
121.06477	9.0
121.10126	25.6
123.08057	10.1
123.11698	5.2
125.09622	7.4
127.03888	6.8
128.06218	4.1
129.05450	3.7
129.06976	19.4
131.08572	47.9
133.06517	4.7
133.10129	45.0
135.08075	3.0
135.11688	17.7
137.09639	6.9
141.06963	9.1
142.07787	4.3
143.08551	27.1
145.06456	5.7
145.10118	37.5
147.08044	4.4
147.11690	30.2
149.09592	10.4
149.13284	14.7
151.11159	4.9
155.08542	17.1
157.10120	23.0
159.08014	4.3
159.11684	24.4
161.13206	18.9
163.11174	8.0
163.14795	3.6
165.12723	6.7
167.08504	5.6
168.09366	2.8
169.10146	15.4
171.08055	5.1
171.11708	21.4
173.04448	17.3
173.09593	2.5
173.13290	21.3
175.11134	2.9
175.14827	7.6
177.12727	8.3
178.07864	2.7
179.14281	3.8
181.10132	7.1
183.11745	11.7
184.07306	4.4
185.09586	4.9
185.13290	13.7
187.14888	7.6
189.12737	2.9
191.14201	3.3
193.10054	4.0
195.11678	7.8
197.13263	11.4
199.11281	2.6
199.14830	9.0
201.12755	4.6
201.16414	3.5
207.11710	5.1
209.13274	8.2
211.14822	4.5
213.12784	4.2
213.16385	6.4
221.13136	3.4
223.14835	5.5
225.12810	3.1
225.16473	4.9
235.14885	3.8
237.16295	4.4
239.17932	3.9
241.19554	13.7
257.18961	7.0
259.20581	18.3
261.22263	2.8
267.15930	5.8
269.17465	4.4
273.18390	3.0
275.20047	35.9
276.20407	3.5
277.21661	4.3
293.21121	3.8
295.20462	2.9
315.23123	7.4
333.24329	21.0
335.25943	5.8
349.23822	21.5
351.25302	3.0
367.22595	4.1
381.98123	2.7
413.21677	3.2
435.32532	4.7
513.35663	10.7
514.35773	3.1
515.38049	8.0
527.37262	17.0
529.38818	3.6
545.38287	4.4
551.40613	5.1
555.36792	3.0
607.34265	3.8
607.43542	47.2
625.44562	68.0
626.44525	4.7
628.46118	3.9
635.39288	3.7
668.52911	3.4
671.41119	4.5
689.42041	13.3
733.45862	4.1
751.47632	5.2
769.48676	8.5
787.49786	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	35.2
55.05271	2.1
55.05508	28.5
57.03434	10.3
57.07058	3.6
61.02907	5.5
65.03926	4.6
67.05502	64.3
69.03403	4.7
69.06690	2.9
69.07063	50.6
71.04989	4.4
71.08615	1.7
73.02899	3.3
79.05489	59.0
81.03414	13.4
81.07053	79.6
83.04959	10.6
83.08612	12.3
85.02899	9.2
85.06508	3.0
86.09686	5.4
91.03948	2.5
91.05477	88.2
93.07041	63.1
93.07634	2.6
94.07346	1.6
95.01336	10.4
95.04968	15.1
95.08605	45.9
97.02889	5.7
97.06525	50.2
97.10144	5.4
98.20707	2.8
99.08067	3.3
103.05447	3.8
104.37393	1.5
105.04498	3.2
105.07025	100.0
106.07346	3.1
107.04961	20.3
107.08588	33.3
109.02892	1.9
109.06496	6.1
109.10149	16.6
111.08095	2.8
115.05461	4.4
117.07010	30.3
119.08577	65.1
121.06505	4.8
121.10131	20.2
123.04430	3.5
123.08063	5.6
123.11708	3.9
124.99986	3.2
125.09608	5.2
128.06197	3.0
129.06989	12.8
131.07608	2.9
131.08557	42.9
133.06459	2.8
133.10124	53.8
135.08057	3.8
135.11697	17.9
137.09607	4.4
139.07516	3.0
141.06955	5.6
142.07845	2.5
143.08545	14.4
145.06470	3.4
145.10109	35.6
147.11679	33.3
149.09624	10.1
149.13281	10.4
151.11142	4.4
154.07782	1.9
155.08542	10.2
157.10114	11.2
159.11688	23.1
159.55475	1.9
161.09599	3.5
161.13235	17.4
163.11147	7.1
163.14799	2.2
165.09067	2.7
167.08548	2.5
168.09337	1.8
169.10109	9.0
171.08011	2.8
171.11685	17.2
173.04555	2.0
173.13255	13.3
175.11011	2.8
175.14769	8.1
177.12756	6.2
179.14319	13.8
181.10051	2.7
183.08054	1.8
183.11687	8.3
184.07324	23.7
185.13260	9.6
187.11172	4.9
187.14822	6.4
193.12634	1.6
195.11691	4.3
197.13251	6.2
199.14787	4.9
201.12784	2.3
201.16490	2.3
205.12317	1.7
207.11775	2.5
207.13811	1.8
209.13223	4.6
211.14787	4.5
213.16286	3.3
215.17934	2.9
221.13223	2.9
223.14964	2.0
229.19608	2.4
231.21072	3.2
237.16290	2.7
239.17877	2.5
241.19499	16.5
247.20634	3.5
257.19012	10.7
259.20584	25.3
271.20358	2.2
275.20050	82.4
276.20422	4.2
277.21625	3.4
279.15784	2.3
293.21100	2.7
315.23169	10.5
333.24191	43.0
334.24249	2.0
349.23721	42.4
350.24060	1.9
437.33780	5.2
447.30347	2.5
463.44504	2.0
509.36139	1.8
511.37738	2.8
513.35706	5.3
524.40912	1.9
527.37390	3.6
529.38214	2.2
533.39728	4.6
551.41052	3.1
555.36469	2.0
607.43530	63.8
608.43500	6.0
625.44641	42.8
626.44659	4.6
715.45361	3.6
787.49438	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	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	18.6
55.05511	35.4
57.03425	15.4
57.07058	4.6
59.05009	1.7
61.02927	15.7
65.03930	3.5
67.05504	77.5
69.03428	18.8
69.07068	33.2
69.26888	17.7
71.01368	2.0
71.04979	7.8
71.36480	1.5
73.02901	7.7
74.06841	1.7
79.05488	54.5
81.03417	25.6
81.07056	63.9
83.04985	8.4
83.08234	1.8
83.08623	17.9
85.02903	16.1
85.06528	2.6
87.04467	2.1
91.03930	5.6
91.05480	53.3
93.07042	54.8
95.04972	12.1
95.08606	42.4
97.02893	19.1
97.06522	18.1
97.10175	8.9
99.04448	3.5
99.08080	3.6
101.02357	2.0
103.39803	1.6
105.04563	2.0
105.07027	51.3
107.04942	8.0
107.08590	33.8
109.02840	4.7
109.06499	6.5
109.10152	29.9
111.04414	2.1
111.08075	4.9
115.05423	3.9
117.06245	2.2
117.07008	26.4
119.08575	40.0
121.06521	3.9
121.10155	17.8
123.08047	6.2
123.11674	7.5
125.09620	9.4
127.03891	7.1
127.43580	1.9
128.06186	3.6
129.05476	2.9
129.06999	18.1
130.07712	2.4
131.08565	33.5
133.06462	3.2
133.10123	31.3
135.08020	6.3
135.11653	11.8
137.09610	4.8
141.06967	5.6
142.07755	6.0
143.08565	26.1
145.10117	36.2
147.08023	6.3
147.11673	20.4
149.09608	6.4
149.13243	7.1
151.07533	1.9
151.11130	2.1
153.06982	2.9
154.07733	3.5
155.08580	17.8
157.08934	3.0
157.10106	23.6
159.07983	4.0
159.11702	22.0
161.09578	4.4
161.13216	11.1
163.11166	3.9
163.14804	3.4
165.06999	2.0
167.08548	8.8
168.09262	1.8
169.10100	19.4
171.11674	23.1
173.04436	6.0
173.09662	2.7
173.11807	4.0
173.13205	16.8
175.14755	3.8
177.12691	2.5
179.08595	4.0
179.72856	1.6
181.10089	11.7
183.11671	16.4
184.07315	2.8
185.09615	2.5
185.11734	2.6
185.13184	14.6
187.11171	4.6
187.14815	6.7
189.11218	4.5
189.12767	2.0
193.10025	4.7
195.11743	10.7
197.13271	14.1
199.11174	2.7
199.14835	9.5
201.12523	1.9
201.16304	2.1
207.11647	2.7
209.13261	8.1
211.14859	10.5
213.12810	1.7
213.16385	7.5
219.11604	2.3
219.23964	1.9
221.13390	4.0
223.14755	6.8
225.12912	2.1
225.16335	6.5
227.12695	4.5
227.17870	4.2
229.14243	7.9
229.19620	2.0
230.86635	2.2
233.13164	2.3
235.14822	5.5
237.16386	5.7
239.17918	5.1
241.19513	5.1
245.19095	2.3
251.17896	3.0
257.18924	6.5
259.20575	6.7
259.94705	2.1
261.22247	2.6
267.15927	1.9
269.18515	1.6
271.20468	2.0
273.18661	2.7
275.20023	11.6
277.21802	2.3
283.17090	2.3
283.20709	3.2
297.22226	1.8
299.19400	2.1
299.23639	2.2
305.22144	1.9
309.22089	2.7
315.23322	3.0
321.22031	2.4
325.21613	2.2
327.23068	2.9
331.22586	2.9
333.24097	4.8
335.25922	2.4
343.22586	2.4
349.23770	6.9
351.25275	2.9
361.24677	1.9
365.28439	2.4
379.30063	4.2
381.31824	2.6
409.30969	1.9
421.30997	2.9
435.32758	2.3
439.31549	2.3
495.34503	3.7
499.34042	2.4
513.35803	23.6
515.38281	7.0
525.35474	2.7
527.37646	13.8
533.39777	7.4
543.36139	2.9
551.40704	5.2
555.37134	2.9
567.40082	2.4
589.42841	3.0
597.45117	2.7
607.43567	53.8
608.43750	3.0
623.41925	2.1
625.44592	100.0
626.44849	8.6
649.44446	2.3
689.41980	3.7
715.44824	2.5
733.45746	3.6
751.47650	2.3
769.48444	8.1
787.50000	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	16.8
55.05508	48.9
57.03436	14.6
57.07058	3.6
60.29118	1.6
61.02922	15.3
65.03934	5.7
67.05501	81.2
69.03425	24.7
69.07064	38.3
71.01328	2.4
71.04983	7.8
71.08612	3.0
73.02905	10.5
78.21033	1.5
79.05022	2.5
79.05486	62.4
81.03414	35.8
81.07053	84.8
83.04991	12.7
83.08607	22.7
85.02898	21.3
85.06529	5.0
91.03966	8.5
91.05479	60.0
93.07037	63.4
95.04953	14.4
95.08602	56.0
97.02402	1.8
97.02892	22.3
97.06526	18.1
97.10148	11.8
99.04450	3.1
99.08076	4.8
101.02365	1.9
105.06309	2.7
105.07022	55.2
106.07383	1.8
107.04962	11.0
107.08588	48.8
108.08844	1.7
109.02865	7.3
109.06509	9.5
109.10152	33.8
111.08059	7.4
111.72122	1.9
115.05415	5.3
117.07005	26.5
119.08581	46.7
121.06481	5.9
121.10143	25.1
123.08066	7.4
123.11685	8.3
125.09602	8.3
127.03882	8.6
128.06236	6.2
128.64517	1.8
129.05501	2.6
129.07004	27.9
131.08560	40.2
133.06479	3.0
133.10106	29.2
135.08006	4.9
135.11681	15.9
137.09587	5.9
139.07579	1.8
139.11168	2.4
141.06989	10.8
142.07753	5.0
143.08549	25.6
145.06468	3.4
145.09056	3.0
145.10121	33.6
147.08023	5.8
147.11676	27.3
149.09584	7.1
149.13239	8.8
151.11125	4.9
153.06931	3.5
154.07732	2.4
155.08553	16.4
156.09329	3.7
157.10124	24.3
159.08046	3.1
159.11688	27.4
161.09627	2.6
161.13239	10.1
163.11177	6.0
163.14755	2.5
165.06915	2.9
165.12659	2.2
167.08586	9.6
168.09341	2.4
169.10107	18.1
171.08076	2.5
171.11662	25.2
173.04480	13.9
173.09512	3.6
173.11884	3.4
173.13220	15.7
175.11172	2.6
175.14864	5.4
177.12720	4.0
179.08556	2.3
181.10156	13.3
183.11688	19.4
184.07245	2.9
185.09584	4.3
185.13208	16.5
185.27820	1.7
186.13562	2.0
187.11205	2.5
187.14796	5.9
189.11203	2.3
189.12747	3.9
189.16339	3.7
191.14145	2.3
193.10104	5.5
195.11665	12.5
197.09671	2.0
197.13226	16.6
199.11163	3.0
199.14807	8.0
201.12723	1.8
201.16307	4.2
205.10156	2.9
207.11659	4.7
209.13310	9.0
211.14845	8.4
213.14561	2.0
213.16356	5.8
215.14281	2.2
215.17793	3.4
219.11775	2.0
221.13269	6.4
223.14754	7.2
225.16327	7.2
227.12671	4.7
227.17905	3.7
229.14279	4.3
229.19560	2.4
231.17453	2.5
231.21150	1.9
232.48486	1.7
233.13310	2.1
235.14897	2.5
237.16420	3.5
239.14259	1.9
239.17952	6.1
241.19638	4.2
249.16533	2.5
251.17923	1.7
253.19441	4.6
257.18982	6.6
259.20493	12.6
261.16351	2.3
261.22092	3.2
267.15701	2.0
269.17395	1.9
269.22839	2.1
271.20514	2.5
273.18503	4.8
275.17688	1.8
275.20108	17.5
283.20541	1.8
291.19601	3.7
297.22141	2.5
301.21585	3.3
309.22144	2.2
313.21582	2.2
315.23218	4.4
321.22049	2.3
323.23425	2.3
327.23050	1.8
333.24475	10.0
335.25635	5.5
339.23212	2.7
349.23834	6.6
351.25891	1.8
365.28342	3.1
367.22607	2.3
369.24118	2.6
385.23547	2.0
387.24323	2.1
419.29004	2.1
421.31064	5.0
439.31845	2.1
495.34882	2.3
513.35791	32.2
515.38007	7.0
527.37469	12.4
529.38715	2.8
533.39990	9.7
543.36688	2.4
545.37854	2.1
551.41028	2.8
553.37811	2.6
589.42731	3.2
597.44781	5.5
607.34186	3.0
607.43573	56.1
608.43976	4.9
611.47321	2.0
625.44550	100.0
626.45306	8.2
649.44250	2.9
689.41980	5.0
733.46570	4.7
751.47943	4.7
769.48761	9.7
787.50018	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	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01629	2.4
55.01868	21.9
55.05511	44.3
57.03431	17.3
57.07063	4.9
57.07641	1.5
59.04988	2.2
61.02923	11.5
65.03936	4.1
67.05504	97.6
69.03425	21.5
69.07071	30.9
70.76891	2.4
70.77245	3.7
71.01338	2.4
71.05009	10.3
71.08646	4.0
73.02573	1.7
73.02916	10.5
73.03255	1.7
75.26043	1.5
79.05494	65.6
81.03413	46.9
81.07053	87.1
83.04981	12.2
83.08617	25.7
85.02901	18.3
85.06549	4.1
86.09686	3.5
91.03949	4.7
91.05480	69.5
93.07043	68.1
93.07641	2.1
95.04968	24.2
95.08607	51.8
97.02882	18.1
97.06538	18.2
97.10161	14.9
99.04449	5.3
99.08103	4.9
101.06010	2.0
103.05491	2.4
105.04491	2.2
105.07030	67.0
107.04961	17.5
107.08592	39.0
109.02883	6.6
109.06496	10.3
109.10156	40.0
111.04450	4.0
111.08086	9.9
115.05462	5.2
116.06201	1.7
117.07016	28.4
119.08584	52.0
121.06509	7.2
121.10146	24.7
123.08066	7.0
123.11715	10.0
125.09622	10.8
127.03941	6.4
128.06235	7.4
129.05489	5.2
129.06999	23.9
130.07800	2.8
131.08568	41.5
133.06480	4.3
133.10121	40.3
135.08054	6.6
135.11649	13.9
135.69720	1.6
137.09628	4.9
137.13239	2.3
139.11205	1.9
141.06999	11.8
142.07767	6.7
143.08560	26.4
145.10117	34.2
147.08080	6.8
147.11679	26.1
149.09637	12.2
149.13274	7.8
151.11186	9.0
154.07767	3.2
155.08545	15.2
156.09364	2.1
157.10136	29.4
159.08128	3.9
159.11696	25.7
161.09641	5.3
161.13211	11.4
163.11160	10.3
163.14854	2.4
165.07022	2.3
165.12772	4.2
167.08595	6.2
168.09427	2.3
169.10083	15.5
171.07993	2.6
171.11681	23.0
172.12430	1.9
173.04478	2.0
173.09584	4.1
173.11783	5.5
173.13281	14.6
173.14624	2.6
175.11192	5.3
175.14851	4.6
177.12874	3.0
179.08586	3.4
179.14342	8.4
181.10155	9.1
182.10901	2.4
183.11693	14.0
184.07349	7.9
185.09619	2.7
185.13220	15.6
187.11128	4.1
187.14825	6.2
189.11237	4.4
189.12834	2.2
193.10201	3.3
193.12234	6.4
195.11702	10.0
197.13217	14.9
199.11284	4.1
199.13144	2.2
199.14865	9.9
201.16347	4.9
207.11752	3.9
207.13791	1.9
209.13321	8.9
211.13116	2.5
211.14850	7.1
213.12956	2.0
213.16452	6.3
219.11662	2.5
221.13332	2.1
223.14833	5.4
225.16388	4.0
227.12811	7.3
227.18065	2.5
229.14240	8.7
229.19379	1.9
235.14796	3.3
237.16406	4.6
239.18010	6.2
241.19539	4.2
245.19029	2.3
251.17831	2.3
253.14185	9.9
257.19080	7.4
259.20581	7.7
259.80508	2.0
267.15820	29.6
267.18127	2.1
271.20685	1.8
273.18472	7.4
275.20096	27.3
277.21674	6.5
283.20569	2.0
285.17114	3.1
291.19684	2.4
293.21149	2.4
295.20541	3.1
297.22217	2.4
301.16443	5.2
301.21667	2.7
303.81149	1.7
313.21844	3.9
315.23206	2.6
325.21725	2.0
333.24301	6.4
341.24747	2.5
347.22583	2.1
349.24005	11.5
351.25330	2.6
365.23642	3.3
365.28439	4.1
381.31680	2.6
383.29169	2.1
391.65155	2.0
403.29590	2.5
421.31036	3.7
489.35779	2.7
497.27676	3.7
513.35687	23.4
515.38269	3.6
527.37164	4.9
529.38507	2.4
533.39758	4.8
541.35223	41.2
543.36688	10.2
551.40607	4.3
551.48907	1.7
559.36829	2.4
591.35431	4.4
607.43549	37.2
625.44543	100.0
626.44836	6.7
733.46490	2.4
751.47375	2.8
769.48199	6.7
787.49664	13.5
788.50403	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	22.4
55.05509	42.3
57.03433	16.0
57.07065	6.6
59.04978	2.0
60.08148	2.4
61.02922	18.1
62.99265	1.7
65.03922	4.6
67.05502	91.1
68.05824	3.8
69.03430	20.4
69.07066	44.2
70.42815	6.9
70.43204	1.6
71.01313	2.4
71.04996	9.6
73.02905	9.8
79.05486	70.3
80.05799	2.9
81.03414	39.7
81.07050	89.8
81.07538	4.5
82.07375	3.2
82.30610	1.8
83.04980	9.7
83.08611	24.2
85.02891	16.9
85.06538	4.9
86.09686	6.3
87.04449	2.8
91.03956	8.4
91.05476	72.5
92.05816	4.5
93.07038	65.4
93.07652	2.9
94.07369	3.4
95.04957	17.8
95.08600	51.9
96.08934	2.0
97.02888	22.4
97.06523	19.6
97.10165	13.6
99.04427	5.7
99.08089	4.6
103.05475	2.8
105.04523	2.7
105.07027	74.5
106.07395	3.3
107.04950	12.3
107.08585	46.7
109.02858	7.7
109.06525	14.2
109.10146	26.3
111.08067	9.7
111.57683	1.9
112.24773	1.9
113.09654	2.0
115.05441	6.6
115.67066	1.6
116.41623	1.8
117.07012	31.3
118.07352	2.3
118.67953	1.9
119.07708	2.7
119.08571	49.2
120.08914	3.4
121.06480	7.1
121.10125	28.2
122.10499	2.5
123.04447	2.1
123.08089	9.5
123.11722	10.1
124.99969	4.8
125.09643	10.8
127.03906	7.5
128.06219	8.2
129.06999	23.0
130.07779	2.2
131.04868	2.1
131.08562	45.5
133.06476	3.8
133.10127	37.3
135.08046	9.4
135.11691	18.8
137.05957	2.1
137.09621	3.3
137.13274	2.1
139.11168	2.7
141.06973	8.9
142.07744	4.3
143.08560	26.6
145.06464	4.6
145.10117	35.9
146.10484	2.1
147.08029	6.4
147.11691	28.3
149.09613	11.2
149.13258	10.8
151.11218	5.0
153.06921	2.8
153.09044	4.1
154.07780	3.1
155.08545	20.0
156.09250	2.1
157.10118	27.1
159.08055	4.1
159.11665	25.1
160.12038	2.5
161.09630	6.5
161.13252	14.2
163.11142	5.8
163.14803	3.1
165.07022	2.9
165.12733	2.2
167.08562	7.7
168.09279	3.0
169.10126	13.6
170.10722	3.2
171.08078	2.9
171.10254	2.9
171.11661	21.7
172.12167	2.0
173.04422	9.7
173.09605	4.3
173.11877	3.7
173.13216	15.0
175.07639	2.1
175.11198	3.5
175.14766	3.6
177.12814	2.5
179.08487	4.3
180.09413	2.1
181.10103	10.0
183.11703	18.1
184.07332	26.5
184.12218	2.1
185.13281	16.1
187.11160	4.6
187.14807	7.7
189.11215	3.5
189.12756	2.2
189.16379	2.7
191.14336	2.1
193.10118	6.0
195.11734	13.9
195.13353	3.0
197.13249	12.8
198.13757	2.1
199.11230	2.7
199.14882	9.5
201.12697	2.0
201.16397	3.6
207.11736	3.4
209.13197	14.3
211.14778	8.3
213.12778	2.1
213.16388	5.8
215.14270	2.0
215.17863	3.3
220.68210	2.0
221.13298	4.1
223.14806	7.7
225.16393	5.3
227.12758	5.5
227.17886	3.4
229.19466	2.3
233.13252	3.4
233.15331	2.1
233.19029	1.9
235.14760	4.5
237.16373	6.5
239.17949	5.4
241.19618	9.0
242.19698	2.5
247.14767	2.5
249.16531	2.5
251.17975	3.6
257.19019	6.1
259.20584	11.4
261.18463	2.1
261.22076	3.5
263.17825	2.8
267.15808	2.6
271.20480	2.7
273.18460	2.9
275.20068	25.4
276.20483	3.2
281.22592	2.2
283.20370	2.0
285.22171	2.3
293.21048	3.3
295.20642	2.0
297.21960	2.7
301.21588	2.8
311.19659	1.8
311.23502	4.8
313.21667	2.8
315.23248	4.8
323.19940	2.3
323.23691	3.0
325.21671	3.2
331.22778	3.0
333.24280	8.6
335.25766	6.0
341.24664	2.9
349.23911	9.2
351.25311	2.4
365.28479	2.9
367.22629	3.0
369.24066	2.0
375.12915	1.8
377.24347	2.1
379.30511	1.9
403.29770	2.4
413.21774	2.0
421.30957	5.4
435.32477	2.9
495.34717	4.2
513.35724	32.5
515.38446	9.0
527.37482	9.2
533.39905	5.7
537.35748	2.3
543.36353	2.6
551.41022	3.8
569.37775	2.0
597.44836	5.1
607.43402	49.0
608.43719	3.0
610.45056	12.8
619.67456	2.0
624.42950	2.3
625.44507	100.0
626.44696	7.5
637.44812	2.9
662.76746	3.1
689.42261	7.0
715.44678	3.4
733.46161	4.4
751.46747	4.5
769.48999	8.9
787.49652	17.0
788.50647	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	786.527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
56.05037	0.7
57.07070	0.1
58.06613	0.5
58.72408	0.1
59.07372	0.1
60.08161	5.9
62.78638	0.1
67.05488	0.2
69.07119	0.1
70.06582	0.2
71.07369	3.7
71.08626	0.1
71.21062	0.3
81.07050	0.2
83.66602	0.1
86.09702	30.1
87.10031	0.2
95.08625	0.2
98.98457	2.7
98.99060	0.2
104.10739	3.2
116.99525	0.2
124.99998	20.1
143.01056	0.4
166.02744	0.1
173.53107	0.1
184.07332	100.0
185.07700	0.7
240.09613	0.1
242.76765	0.1
309.20599	0.1
496.33936	0.3
768.51294	0.3
786.52728	6.9
787.53046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.0
58.06612	0.4
60.08162	6.4
67.05503	0.8
69.07059	0.2
71.07366	3.2
71.27730	0.4
79.05476	0.4
81.03437	0.2
81.07047	0.6
86.09702	32.1
87.10028	0.3
91.05473	0.3
93.05200	0.2
93.07055	0.2
95.04945	0.2
95.08602	0.4
98.98463	3.3
104.10738	3.5
105.07006	0.3
109.10171	0.3
124.99998	20.8
126.10300	0.4
140.86015	0.2
143.01028	0.3
166.02684	0.3
184.07332	100.0
185.07666	0.8
214.41457	0.2
227.20291	0.2
241.87616	0.2
276.35358	0.2
289.29285	0.2
317.55899	0.2
377.05841	0.2
403.20279	0.2
496.33768	0.2
560.46704	0.2
614.41241	0.2
768.51154	0.6
786.52771	5.5
787.52692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	1.3
55.01867	11.1
55.05508	29.7
57.03438	7.6
57.07058	3.3
59.04995	2.7
61.02927	10.1
65.03925	3.6
67.05498	54.5
69.03426	9.3
69.07062	21.2
69.19138	7.9
69.19572	6.1
71.04975	5.4
71.08624	3.4
73.02901	6.6
79.05485	47.0
81.03410	9.3
81.07048	48.9
82.07371	2.4
83.04971	5.4
83.08611	14.9
85.02898	11.0
85.06523	4.1
86.09686	1.9
91.03951	5.1
91.05471	41.9
92.05769	2.2
93.07034	41.6
93.32139	1.1
94.07378	1.6
95.04960	9.0
95.08599	31.5
96.08926	2.2
97.02876	9.0
97.06516	12.8
97.07467	1.3
97.10154	13.4
99.04440	1.5
99.08089	2.8
103.05460	2.3
105.07023	40.2
106.07349	1.5
107.04951	7.1
107.08583	30.4
108.08893	1.4
109.02880	1.8
109.06496	4.8
109.10150	19.2
111.04448	1.4
111.08054	4.1
113.09589	1.2
115.05443	3.0
117.07005	18.5
119.08569	27.1
121.06460	1.9
121.10139	16.7
123.08048	3.2
123.11696	9.2
125.00075	1.5
125.09608	12.5
127.03901	3.1
128.06230	4.8
128.81160	1.1
129.06987	16.2
129.41179	1.3
130.07729	1.5
131.04913	1.3
131.08556	25.9
133.06512	1.8
133.10124	26.5
134.10388	1.5
135.08038	4.4
135.11673	8.6
139.11140	1.2
141.07001	6.7
142.07745	3.9
143.08551	17.8
143.10709	1.3
144.09286	2.2
145.06499	1.9
145.10123	22.8
146.10437	1.8
147.07994	1.8
147.11676	15.3
149.09610	3.9
149.13260	4.7
151.11122	2.8
153.06979	1.4
153.09125	1.4
154.07721	1.9
155.08522	12.7
156.09259	2.6
157.10130	20.0
158.10658	1.1
159.08046	1.5
159.11693	16.9
161.09612	1.7
161.13284	6.4
163.11195	3.2
163.14891	1.5
165.09094	1.4
167.08554	5.3
168.09216	1.4
169.10091	16.4
170.10719	1.1
171.11644	17.0
173.11763	1.9
173.13184	10.5
175.14857	2.9
179.08542	2.4
179.14178	1.4
181.04936	1.2
181.10089	8.1
182.10902	1.7
183.08081	1.2
183.11684	16.3
184.07356	7.1
184.12083	1.3
185.13213	14.3
186.13634	1.4
187.11209	1.4
187.13235	2.8
187.14799	5.8
189.11203	5.4
189.12747	1.5
193.10188	3.1
194.11035	1.5
195.11729	6.3
197.13239	11.2
198.13745	1.8
199.14807	6.9
201.12776	1.5
201.16415	2.1
202.18790	1.2
207.11829	2.8
209.13248	5.5
211.14790	6.7
213.16377	5.5
219.11732	1.5
221.13103	2.8
223.14780	2.9
225.16397	4.5
227.12694	7.7
227.18024	2.3
229.14397	1.8
231.21075	1.7
235.14821	1.9
237.16426	3.9
239.17970	4.1
241.19461	5.5
243.15869	2.9
249.16501	2.0
251.17848	2.1
253.19571	2.2
257.18991	4.7
259.20609	7.2
260.20834	1.3
261.21829	1.6
265.19595	1.6
267.21133	2.7
273.18475	1.4
275.20078	10.6
277.21701	2.3
301.21512	1.5
309.22275	2.9
313.21964	1.5
315.23242	2.7
321.22229	1.4
325.21304	1.3
333.24243	4.1
337.25104	1.5
349.23746	7.7
365.28381	8.1
381.31723	1.9
383.29593	1.8
418.46756	1.2
421.31097	3.4
427.64987	1.3
431.29947	1.3
439.31964	3.5
453.34094	1.3
463.81796	1.4
495.35156	1.8
513.35657	21.3
514.35962	2.5
515.38519	5.3
527.37592	2.9
528.37665	2.5
530.38660	2.1
533.39575	5.3
551.40918	1.8
555.36810	1.3
571.40833	1.7
589.42108	1.3
591.61511	1.4
607.43542	35.0
608.43781	2.4
610.45349	13.1
625.44550	100.0
626.44818	10.0
628.46710	2.8
651.37958	1.6
733.46375	2.7
769.48010	3.0
787.49841	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	786.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
58.06614	0.3
60.08162	6.9
66.05803	0.2
67.05510	0.4
69.07035	0.2
69.49053	1.5
71.07371	4.1
79.89835	0.2
81.07058	0.5
86.09705	33.5
87.10031	0.4
98.98475	3.7
104.10748	3.3
109.10162	0.3
124.99999	23.8
125.31748	0.2
143.01033	0.6
166.02571	0.3
167.85086	0.2
173.17183	0.2
177.65028	0.2
180.52013	0.2
184.07336	100.0
185.07712	0.8
227.19994	0.2
247.35115	0.2
323.29260	0.2
393.12659	0.2
415.67465	0.3
768.50006	0.4
786.52789	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	786.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	16.8
55.05509	33.4
57.03432	10.4
59.04983	2.8
61.33227	1.7
65.03927	6.6
67.05501	100.0
69.03410	7.5
69.07062	43.7
71.01327	2.9
71.04976	7.3
71.29537	3.3
78.12160	2.0
79.05489	95.0
81.03412	19.7
81.07050	81.8
83.04974	16.9
83.08625	10.1
85.02886	5.5
85.06522	5.3
86.09702	2.8
91.05479	92.1
93.07038	98.0
94.07374	2.9
95.04377	2.5
95.04966	32.1
95.07986	2.9
95.08599	52.2
97.02878	6.3
97.06011	2.1
97.06532	23.3
97.10161	7.6
103.05460	2.2
105.04486	3.2
105.07028	58.0
105.62239	1.8
107.04943	16.7
107.08582	34.8
109.02888	2.4
109.06520	9.1
109.10152	28.9
111.08074	4.4
114.43718	1.7
115.05441	3.1
117.07012	17.2
119.08572	41.1
120.08881	2.4
121.06464	6.6
121.10126	14.9
123.08079	10.9
123.11719	3.1
124.99986	3.0
125.09620	3.4
127.03894	1.9
128.06218	2.4
129.07002	16.5
131.08528	16.7
133.06462	3.7
133.10129	29.8
135.08047	5.4
135.11664	11.2
137.09599	15.0
139.96103	1.8
141.07080	2.8
141.09059	2.3
143.08549	12.3
145.06448	2.0
145.10117	24.2
147.07993	4.4
147.11659	46.0
149.09633	18.2
149.13229	3.4
151.11147	3.0
155.08554	2.1
156.09219	2.2
157.10121	6.3
159.07997	1.8
159.11678	7.7
161.09636	6.7
161.13264	16.0
163.11145	7.6
163.65257	1.6
169.10216	3.2
169.91014	1.8
171.11676	26.2
173.11725	8.7
173.13211	4.5
175.11159	3.3
177.12685	3.8
179.14305	4.5
181.12120	2.0
183.11597	1.9
184.07372	11.0
185.13145	3.0
187.11116	1.9
187.13292	2.8
189.12756	12.6
197.13138	2.7
207.13789	30.1
224.54736	1.9
227.12730	3.8
229.14407	11.6
229.19524	2.4
255.15860	3.1
257.19000	8.0
273.18549	5.5
275.20053	30.6
281.17477	41.2
291.19547	6.9
293.21072	3.4
297.17029	2.7
349.23828	18.7
377.23053	4.6
435.27466	32.3
449.28671	4.8
459.31137	5.1
461.28983	3.8
467.28250	1.8
475.30365	3.2
555.36835	42.7
571.36212	2.9
573.37250	3.3
577.98389	2.2
588.54529	2.3
624.43018	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	785.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.3
55.05512	42.9
57.03443	14.0
57.07079	3.9
59.04976	1.9
61.02922	6.9
65.03931	8.3
67.05505	93.0
68.05822	2.4
69.03430	22.1
69.07071	39.0
71.01374	2.5
71.04982	13.8
71.51434	1.8
71.74167	1.7
73.02918	4.2
77.03930	1.9
79.05495	75.1
80.05814	3.1
81.03420	44.8
81.07056	100.0
82.91224	2.1
83.04982	17.8
83.08624	20.3
85.02908	14.8
85.03358	2.1
85.06532	5.7
89.72406	1.7
91.04910	4.1
91.05480	84.2
92.05803	2.7
93.07045	70.6
94.07368	3.2
95.04965	22.3
95.08610	55.6
95.54701	1.8
97.02895	19.3
97.06532	20.0
97.10164	9.8
99.04448	5.7
99.08105	3.1
103.05463	3.5
105.07033	80.6
106.07304	2.0
107.04968	16.7
107.08596	45.7
109.02863	11.6
109.06506	14.6
109.10163	25.9
111.04420	5.1
111.08064	5.1
115.05447	6.9
116.06229	2.1
117.07019	36.0
119.04935	2.6
119.08583	52.5
120.36980	1.8
121.06522	9.8
121.10149	27.7
123.04428	2.6
123.08071	8.5
123.11719	8.9
125.09637	7.5
127.03919	14.2
128.06253	8.9
129.07018	19.1
129.83372	1.9
130.07742	2.7
131.04915	3.0
131.08560	48.0
133.06519	9.0
133.10118	42.4
134.10497	3.0
135.08060	11.4
135.11670	12.9
137.09612	6.1
139.11166	2.8
141.07002	8.7
142.07748	3.7
143.08568	22.8
144.09315	2.5
145.06453	5.4
145.10130	42.6
147.08078	10.2
147.11687	26.7
149.05948	2.1
149.09607	17.4
149.13239	8.1
151.07507	2.1
151.11191	4.6
153.06993	2.4
154.07796	2.9
155.08597	9.0
156.09378	2.3
157.06499	3.7
157.10144	20.3
159.08080	4.6
159.11703	27.4
161.09669	8.8
161.13245	9.0
163.11217	10.9
165.07034	4.7
165.12740	3.6
167.07291	2.1
167.08589	6.8
168.09363	2.8
169.10135	16.5
171.08017	2.8
171.11668	15.8
173.04489	12.7
173.09613	5.7
173.11894	2.1
173.13206	10.0
175.11191	5.0
175.14870	4.0
177.12743	6.9
179.08578	4.9
179.14243	2.8
181.04955	3.3
181.10121	8.2
182.10847	2.6
183.11697	16.4
184.07376	6.4
185.09657	4.4
185.13286	8.2
187.11162	6.3
187.14877	4.6
189.11130	2.3
189.12735	3.3
191.14381	1.9
193.10190	4.7
193.12233	2.8
195.11708	8.1
195.13531	2.1
197.09590	1.9
197.13266	7.4
199.11150	5.0
199.14827	8.5
201.12749	3.2
201.16446	2.9
205.10156	2.2
206.10878	2.2
207.11719	4.2
209.13261	7.2
211.11162	2.2
211.14784	5.9
213.12749	4.2
213.16364	4.3
217.15913	2.9
221.13254	2.3
223.11163	2.5
223.14919	3.6
227.12619	2.7
229.12274	2.4
229.14284	3.3
229.19592	4.1
231.13692	2.3
233.13339	3.1
233.15424	2.7
235.14845	3.6
237.12881	2.1
237.16295	3.6
239.17932	7.3
241.10770	2.1
241.16101	2.0
243.17635	2.3
245.19026	3.0
247.17091	2.0
247.20453	4.5
255.17603	2.7
257.19110	12.0
259.20676	5.1
271.17154	2.2
273.18527	9.1
275.20078	58.9
276.20502	2.2
279.17511	2.0
291.19559	4.3
293.21082	7.7
311.19934	2.8
313.21591	2.9
315.23199	4.5
331.22763	4.3
333.24142	9.2
334.24545	2.6
337.21210	1.8
339.23007	2.9
341.21140	2.4
347.22281	5.4
349.23816	20.9
365.20822	2.1
365.24884	2.1
383.22095	3.9
401.22784	2.4
402.83871	1.9
419.24243	3.5
439.25394	2.0
493.27975	4.6
509.35983	2.1
513.36902	6.3
525.35681	5.9
527.37561	4.5
528.37384	5.4
531.37994	7.0
543.36249	4.3
549.39075	5.0
590.43201	3.2
595.43335	6.1
605.41937	23.5
608.43738	4.9
623.33575	2.7
623.43140	45.0
624.43018	2.4
625.44122	2.4
626.44653	4.0
641.43463	3.9
651.38635	4.5
687.40710	4.1
749.45441	2.8
767.46619	7.9
785.48370	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	785.482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.8
55.05512	42.3
56.46725	1.4
57.03436	15.5
57.07071	4.4
61.02913	6.2
65.03941	6.5
67.05505	100.0
68.05849	1.9
69.03426	35.9
69.06683	2.6
69.07068	46.6
71.01344	2.3
71.04996	13.7
71.08616	2.4
71.51236	1.6
71.51620	2.2
73.02923	4.8
77.03935	2.1
79.05493	78.6
81.03419	60.8
81.03789	1.0
81.07053	87.9
82.07380	1.7
83.04986	18.2
83.08626	18.4
85.02905	14.6
85.06541	5.5
91.01440	1.5
91.03956	2.6
91.05479	79.3
93.07042	66.6
94.07388	1.8
95.04971	19.4
95.08608	47.5
97.02891	19.1
97.06525	21.2
97.10170	12.5
99.04449	7.6
99.08113	4.5
101.02369	3.4
103.03997	1.4
103.05476	5.3
105.04531	3.1
105.07030	75.7
106.07356	2.0
107.04953	15.9
107.08587	46.7
109.02879	14.6
109.06511	12.6
109.10152	30.0
111.04441	10.6
111.08069	5.8
111.94019	1.4
112.71002	1.4
113.06010	1.7
115.05424	6.4
116.06247	2.1
117.07014	32.5
119.08586	52.7
121.06488	8.7
121.09338	2.1
121.10146	26.3
123.04433	2.9
123.08064	10.1
123.11689	7.6
125.06007	2.3
125.09647	11.0
127.03924	13.1
128.06229	7.4
129.05479	3.5
129.06999	23.9
130.07817	3.9
131.08560	46.7
133.06508	6.5
133.10126	39.5
135.08076	10.4
135.11688	11.9
137.09616	5.2
139.07520	1.9
139.11150	2.4
141.07011	10.2
142.07751	6.0
143.08575	21.3
144.09335	1.7
145.05064	1.6
145.06485	5.6
145.10107	33.9
147.08025	6.3
147.11690	20.1
149.05962	1.7
149.09633	19.8
149.13252	6.6
151.11128	3.8
153.06961	3.1
153.09145	2.3
154.07788	3.0
155.08557	16.1
156.09351	2.9
157.06497	2.6
157.10115	20.6
159.08049	6.7
159.11684	24.1
161.09659	5.6
161.13263	10.4
163.11185	11.3
163.14919	1.9
165.05519	2.0
165.07010	2.5
165.12735	3.5
166.15096	1.8
167.07336	1.9
167.08513	8.5
168.09332	2.5
169.10104	17.2
171.08018	5.4
171.11685	16.0
173.04449	15.0
173.09612	4.8
173.11830	3.6
173.13274	12.9
175.11183	5.6
175.14845	2.4
177.09137	1.8
177.12761	4.7
179.08519	2.4
179.14323	4.9
181.10074	8.1
182.10869	2.9
183.08015	3.1
183.11667	14.0
184.07326	3.1
185.09637	4.7
185.13292	12.5
187.11230	6.2
187.14812	4.5
189.11212	5.0
189.12872	4.0
189.16441	1.8
191.14180	1.8
193.10207	4.2
193.12167	1.5
194.10733	1.6
195.11736	8.3
195.13358	2.0
197.09633	3.2
197.13217	9.5
199.11180	4.2
199.14845	6.9
201.12721	2.7
201.16483	2.0
203.14345	1.7
205.10130	1.8
205.12122	1.6
207.11835	3.5
209.13275	6.1
211.11185	3.2
211.14839	4.6
211.20018	1.4
213.12830	3.4
213.16435	3.3
215.10760	2.1
215.17981	1.7
217.15990	2.2
219.11769	1.9
221.13329	3.6
223.14851	5.3
225.16383	1.8
227.12779	6.5
227.17880	3.3
229.14314	4.5
229.19508	4.3
231.13860	2.1
233.13232	2.1
233.15347	2.1
237.16519	2.8
239.14319	1.7
239.18002	7.9
241.10637	3.1
247.14874	1.9
247.20573	5.6
255.17310	2.5
257.18945	12.8
259.20621	4.5
273.18552	5.0
275.20078	57.6
276.20444	2.0
277.21753	3.6
291.19656	4.7
293.21252	4.3
311.19977	2.3
313.21829	1.6
325.21658	3.3
331.22726	5.0
339.23190	2.3
341.21039	2.5
349.23819	23.0
355.26544	1.7
365.20978	3.3
373.18649	1.6
373.23987	1.5
377.28284	3.0
381.28125	2.2
383.21985	2.4
395.29498	2.4
401.23126	2.7
419.24481	3.3
419.29825	2.1
433.31061	1.8
487.33856	3.2
493.27930	4.7
503.33521	2.3
511.34464	4.3
513.36328	3.2
523.34906	1.7
525.35840	5.9
531.37976	2.0
535.34460	1.7
543.36700	7.9
595.43848	2.2
605.41650	11.7
623.43048	38.0
624.43500	2.5
626.44928	7.4
641.43683	3.0
665.44153	4.2
673.39917	1.9
687.40460	4.4
731.45135	2.8
749.46051	2.2
767.47327	8.3
785.48413	30.0
786.47778	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	785.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.4
55.05511	29.3
57.03432	12.6
57.07068	6.2
65.03921	6.6
67.05501	91.6
69.03417	6.1
69.07064	26.4
71.01356	14.6
71.05003	2.9
71.08624	2.4
71.52234	2.2
73.02907	19.3
75.71000	1.9
79.05489	41.3
81.03388	5.5
81.07052	54.5
83.04977	3.1
83.08624	12.5
85.02895	33.7
91.05480	41.3
93.06493	3.5
93.07040	47.3
95.01312	6.2
95.04380	4.4
95.04963	78.3
95.08601	38.2
97.02870	4.2
97.06516	7.6
97.10159	6.6
97.32271	2.4
99.08051	3.0
101.00864	2.3
101.02364	4.2
102.54790	2.1
105.04471	2.3
105.07025	43.6
107.04926	7.4
107.08590	26.9
109.06518	7.0
109.10136	16.0
111.08045	4.0
113.02359	6.2
115.05438	5.1
117.07024	21.0
119.08581	31.5
121.06496	4.5
121.10118	15.5
123.08006	2.9
123.11684	6.7
128.06187	6.0
129.06999	20.0
130.07777	3.9
131.03406	5.5
131.07629	2.9
131.08565	34.3
133.06464	3.7
133.10120	20.8
135.08060	3.2
135.11736	10.3
137.05899	3.5
141.01851	13.5
141.06955	8.3
142.07767	7.2
143.08536	25.6
145.10112	36.7
147.08017	3.9
147.11667	13.9
149.13234	7.1
153.07053	3.5
155.08521	18.3
157.10118	22.2
159.11690	15.2
161.09573	3.6
161.13275	7.1
163.14856	2.8
167.08540	8.8
169.10085	22.0
171.11678	19.2
173.13263	12.9
175.14844	6.7
177.12802	2.8
179.08598	3.7
179.14258	3.2
180.24805	2.1
181.04924	2.8
181.10124	11.9
183.11696	18.2
184.07390	5.3
185.13226	18.5
187.14812	6.1
193.10071	3.2
193.11963	2.3
195.11647	12.4
197.11771	2.5
197.13216	12.6
199.14798	9.5
201.16330	3.3
207.11696	4.2
209.13298	10.4
210.91867	2.1
211.14821	9.8
213.16438	8.0
221.13191	3.2
223.14755	6.9
225.16412	4.0
225.74071	2.2
227.17923	6.5
235.14862	5.5
237.16373	7.2
239.17856	4.5
251.17970	2.3
257.19061	2.9
259.20453	5.0
263.12860	2.6
263.17963	2.8
273.18472	26.5
275.20065	3.1
285.22177	2.8
305.98257	2.1
313.27298	3.8
315.23099	4.0
333.24194	12.3
335.26642	2.1
347.22247	14.0
393.31796	2.8
427.59277	2.5
467.35013	2.5
517.40466	10.5
524.40063	3.7
535.41144	7.8
539.37097	3.3
591.44299	13.1
605.41986	16.6
609.45135	100.0
610.45233	6.5
623.43146	3.1
644.45715	3.8
655.18372	2.2
767.46576	2.9
785.48328	65.0
786.48907	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	785.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.7
69.34042	0.4
71.50539	0.4
71.50932	0.4
81.03412	1.3
85.02901	0.7
93.46320	0.3
97.02886	0.4
99.13309	0.3
103.05447	0.8
109.02880	1.0
113.02343	0.5
123.04433	0.4
127.03917	1.9
129.03392	0.5
131.04924	0.9
147.04399	0.9
157.02852	0.9
159.04379	0.4
173.02335	0.7
175.03955	2.4
185.02362	1.9
187.03902	4.2
191.03365	0.4
201.01802	1.0
202.02718	0.4
203.03433	3.3
213.01811	3.2
215.03363	3.5
219.02950	0.4
229.01315	0.7
230.02023	0.5
231.02879	19.6
232.03027	0.5
241.01346	3.3
247.02266	2.2
257.00775	1.4
259.02374	31.2
260.02924	1.4
261.03986	0.4
265.94855	0.3
275.01920	1.9
276.02646	1.7
277.03418	100.0
278.03720	2.3
285.00198	0.7
301.03497	0.4
302.00562	0.9
303.01324	17.9
304.01666	0.7
315.01266	0.6
315.04752	0.4
321.02338	2.6
345.02414	0.8
363.03302	0.4
367.04492	0.7
383.04034	0.5
385.05457	1.1
387.03336	0.6
401.04535	0.4
411.03436	1.0
429.04526	1.1
447.05441	1.0
465.06485	1.0
688.24030	0.4
725.93317	0.4
785.07410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.7
55.05517	12.1
57.03439	18.5
57.07070	23.5
65.03944	3.9
67.05142	2.7
67.05505	47.5
69.07063	7.2
71.04980	4.7
71.08640	14.0
71.51395	3.5
73.65820	1.8
77.40730	2.0
79.01063	1.7
79.05489	20.3
81.03397	4.1
81.07060	30.3
83.05009	2.4
83.08622	9.8
85.06535	9.2
85.10186	7.1
86.09719	4.5
86.83431	2.2
91.05481	21.7
91.59665	1.8
93.07041	20.5
95.04964	52.4
95.08606	20.9
97.06528	4.1
97.10168	5.1
99.16357	2.1
103.55966	1.8
105.07025	16.6
107.04943	8.4
107.08608	15.4
109.06520	51.6
109.07275	2.8
109.10154	9.2
113.06007	21.3
117.07010	10.6
119.08575	9.1
121.06487	5.3
121.10152	7.8
123.11670	3.0
124.99996	1.9
126.52215	1.8
128.06258	2.2
129.06992	5.0
131.08563	14.0
133.06548	2.5
133.10112	8.7
135.08043	40.2
135.11684	5.8
135.62973	1.8
137.09592	2.1
137.13251	2.0
141.06953	2.4
143.08548	8.5
145.10101	8.2
147.08022	5.0
147.11691	3.5
149.09601	5.0
157.10114	7.4
159.11700	3.6
161.09630	7.9
163.11179	3.5
184.07326	18.5
195.13924	3.0
199.14734	2.3
217.15915	9.2
227.12959	2.6
227.17944	2.0
239.23607	4.7
255.17331	3.4
273.18469	30.6
274.18887	2.0
283.15256	4.2
291.19543	100.0
292.19992	4.0
309.20444	3.5
313.27335	54.5
314.27704	6.7
347.22128	10.6
365.23334	9.0
545.42310	2.2
585.45300	13.2
589.48364	2.9
596.97284	2.2
603.46259	64.3
604.46326	9.0
783.48383	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	784.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.6
57.07071	0.2
57.49594	0.2
58.06599	0.3
59.07381	0.2
59.81268	0.2
60.08166	5.6
67.05512	0.3
69.07069	0.2
71.07374	2.8
71.08617	0.3
73.19930	0.2
79.11051	0.2
81.07053	0.3
81.69292	0.2
83.04962	0.2
83.08601	0.2
86.09706	26.8
95.08583	0.2
97.06474	0.2
98.20757	0.5
98.98463	2.4
104.10744	2.5
105.07078	0.2
109.06538	0.2
119.08581	0.3
125.00004	17.8
143.01065	0.3
170.22931	0.2
184.07339	100.0
185.07703	0.6
207.61467	0.2
291.19608	0.2
309.90359	0.2
313.27451	0.3
432.63998	0.2
784.51172	6.3
787.67627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
55.05462	2.0
57.03432	2.2
60.08120	0.8
61.02924	5.6
67.05496	4.6
69.03434	3.3
69.07063	1.9
69.43022	3.6
71.01309	0.5
71.04964	0.8
73.02910	2.9
79.05489	6.4
81.03421	5.0
81.07054	4.9
83.04920	1.6
83.08583	0.8
85.02898	6.1
86.09702	3.3
87.04412	0.6
87.09998	0.5
89.04202	0.4
91.03944	2.9
91.05477	5.0
93.07030	5.3
95.04939	3.1
95.08590	3.1
97.02875	4.6
97.06476	1.2
97.10125	0.5
98.98399	0.6
99.04404	0.8
101.02366	1.9
105.07030	3.9
107.04892	1.5
107.08587	2.2
109.02863	1.0
109.06488	0.7
109.10131	1.0
115.03889	0.4
117.06987	0.9
119.08561	3.2
121.10112	1.1
123.08039	0.8
125.00027	2.6
127.03898	2.2
129.05412	0.6
129.06966	1.3
131.08504	1.1
133.10146	2.4
135.11644	0.6
142.59438	0.4
143.08498	0.7
145.10069	1.1
147.11668	2.7
157.10092	1.0
161.13234	0.7
171.11598	1.5
175.11119	0.8
184.07329	13.0
185.04199	0.5
185.07655	2.1
189.12714	0.9
193.12204	1.3
203.05177	0.7
207.13756	0.6
211.13306	1.1
243.08405	3.3
247.13016	1.1
251.12546	1.9
259.08017	0.5
273.14624	0.6
281.17532	0.7
282.14554	0.4
291.15683	0.7
301.08914	0.9
303.15613	0.5
453.21341	1.0
465.20969	15.6
469.20447	12.2
470.20975	0.7
531.29236	2.2
533.27490	1.9
541.22430	0.8
551.28577	2.2
559.29059	0.7
597.28876	0.5
607.31122	0.7
663.33594	2.1
665.34491	0.7
681.34314	3.8
691.36279	0.6
692.33954	0.8
693.34485	100.0
694.34894	4.3
733.38989	0.6
761.40771	10.5
762.41217	0.5
779.41559	30.6
780.41638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.7
55.05508	16.1
57.03437	7.9
57.07067	0.8
59.04985	0.9
61.00565	0.7
61.02931	0.8
65.03937	2.8
67.05504	23.4
69.03426	27.0
69.07058	5.7
71.01360	2.3
71.04998	8.0
71.51296	1.2
73.02930	1.8
79.05491	24.0
81.03416	100.0
81.07055	23.7
82.03755	0.9
83.04980	19.9
83.08620	14.3
85.02905	21.3
85.06544	2.2
91.05479	26.1
93.06493	1.2
93.07046	15.3
95.04963	20.1
95.08598	8.7
97.02885	27.7
97.06534	6.8
97.10173	4.7
99.04445	7.2
99.08087	1.4
101.02412	1.9
103.05423	1.0
105.06314	1.0
105.07021	18.6
107.04961	8.0
107.08594	8.7
109.02873	23.0
109.06532	5.6
109.10152	3.9
111.04443	11.9
111.08075	8.6
113.06019	1.8
115.05444	2.1
117.07016	5.6
119.04969	1.7
119.08590	15.2
121.02885	1.3
121.06503	4.3
121.10146	8.6
123.04423	3.4
123.08065	3.3
123.11710	2.5
125.09637	1.9
127.03913	17.7
128.06235	1.1
129.05489	2.9
129.07001	10.8
131.04932	2.0
131.08569	9.7
133.06483	3.3
133.10133	7.9
135.04443	1.4
135.08089	1.5
135.11667	2.3
137.06000	1.8
137.09557	0.9
139.03911	1.9
141.07042	1.5
142.07768	2.0
143.08556	2.2
145.04939	0.8
145.06479	2.0
145.10127	3.0
147.04408	2.3
147.08070	2.8
147.11682	17.1
149.05902	1.2
149.09654	4.1
151.03896	1.5
151.11200	1.0
153.09119	1.0
153.12776	2.4
155.08600	1.3
157.10121	10.7
159.08095	1.0
159.11667	1.1
161.05968	1.1
161.09605	1.7
163.03865	1.1
163.11183	4.3
165.05437	1.2
165.12817	5.6
167.07011	1.2
167.08521	1.2
169.04912	0.9
171.08032	1.1
171.11646	1.5
173.04474	10.1
173.05923	1.2
173.09644	1.4
175.11176	9.9
177.05463	1.2
177.12773	0.9
181.12227	2.8
183.06549	1.0
185.09691	0.8
185.13188	1.0
189.11203	2.6
191.10707	4.0
193.12244	31.3
195.13808	1.2
211.13287	50.0
212.13780	1.0
213.12799	1.0
213.14928	1.5
217.12288	1.2
219.13843	1.1
227.12709	6.0
229.12434	0.8
229.14325	4.1
235.13406	2.2
247.13190	1.3
249.14822	2.7
253.07079	2.5
255.13722	1.2
257.15747	0.8
267.15897	12.4
273.14835	2.6
277.14377	1.0
283.15436	2.1
285.17007	12.1
301.14206	4.9
302.68716	0.9
313.16434	1.0
319.15430	3.0
326.25400	0.9
337.16510	6.1
355.17575	7.1
361.16168	0.9
369.19089	0.9
375.18042	2.1
393.19080	3.5
411.20053	8.2
429.21082	3.2
453.21533	1.0
459.27411	4.1
477.28482	5.8
495.29675	4.2
499.21945	1.3
555.23767	1.0
557.30945	0.9
567.29340	0.9
585.30475	3.1
603.31647	2.5
604.75391	0.9
617.56073	0.9
621.32642	8.0
639.33362	5.5
643.82874	0.9
747.35199	1.1
762.68567	0.9
765.36603	2.8
783.37811	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05418	1.4
55.05647	0.8
57.03331	2.3
61.02814	5.7
61.03151	1.5
67.05392	3.6
69.03299	2.8
69.06977	0.8
71.04903	1.0
73.02790	3.6
79.05360	5.0
81.03281	5.4
81.06923	5.5
83.04881	1.5
83.08510	1.5
85.02769	7.3
85.03314	0.9
86.09615	0.7
91.03809	3.6
91.05334	6.1
91.05942	1.6
93.06892	3.9
95.04824	2.6
95.05452	1.1
95.08466	2.5
95.09003	0.8
97.02739	5.1
97.06405	0.8
99.04350	1.4
101.02230	1.9
103.03839	1.3
105.06871	4.2
105.07618	1.0
107.08490	1.6
109.02749	1.3
109.10047	0.8
111.07958	1.1
111.17337	0.6
117.06870	1.0
119.08406	3.4
121.09994	1.2
127.03741	2.5
129.06866	1.4
131.08459	1.3
133.09990	1.6
135.11565	0.7
145.10001	1.3
147.11676	3.0
149.09445	0.8
156.78351	0.7
157.09978	1.5
171.11568	1.1
175.11102	1.0
184.07198	2.5
185.04028	2.6
193.12065	2.1
194.72707	0.6
201.03497	1.1
203.05052	0.9
211.13133	1.2
219.77875	0.7
243.08284	4.3
247.12895	2.3
251.12408	1.9
259.20358	0.8
275.47565	0.7
277.13837	0.9
281.17303	0.8
285.16864	1.0
301.08899	3.6
301.11758	0.6
303.15164	0.9
307.14951	1.2
315.10455	0.7
371.16699	1.0
373.10922	1.1
385.18185	1.2
392.38834	0.7
429.17191	0.8
465.20966	9.9
469.20447	21.9
470.20663	0.9
493.34573	0.7
513.28174	0.9
525.22949	5.3
533.27222	1.0
535.28857	4.2
541.22406	0.9
551.28131	1.3
607.30670	2.4
609.32086	1.3
636.62622	0.7
663.33453	2.4
677.38562	1.2
681.34619	3.2
692.33728	1.2
693.34467	100.0
694.35150	5.2
761.40851	11.2
762.41449	1.0
779.41650	42.1
780.41931	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	779.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05507	1.4
57.03432	2.7
57.67280	0.3
60.01610	0.2
60.08147	0.6
61.02925	4.5
65.03912	0.3
67.05500	4.2
69.03430	3.1
69.07060	1.9
69.33734	2.4
71.01366	0.3
71.04991	0.9
71.07365	0.4
73.02911	3.5
79.05073	0.4
79.05490	3.8
80.82285	0.2
81.03411	4.0
81.07054	4.5
82.03738	0.3
83.04977	1.4
83.08620	1.1
85.02897	6.0
85.06548	0.3
86.09708	3.5
86.48857	0.3
87.04468	0.4
91.03957	2.5
91.05484	3.5
93.07037	3.6
95.04951	2.2
95.08614	1.5
97.02891	3.9
97.06547	0.7
97.10161	0.4
99.04446	0.5
101.02368	1.7
105.07029	2.6
107.04933	0.7
107.08575	1.9
109.02882	0.6
109.06522	0.5
109.10137	0.8
110.49834	0.3
111.08056	0.6
113.06000	0.3
117.07018	0.8
119.08559	1.7
121.06511	0.3
121.10111	0.8
124.99991	2.4
127.03876	1.4
129.07040	0.7
131.08571	1.0
133.06491	0.4
133.10068	1.6
135.11713	0.6
142.07768	0.3
145.10138	0.6
147.08060	0.4
147.11671	1.5
149.09645	0.7
157.10124	1.1
159.11667	0.4
165.12802	0.3
175.11200	0.8
184.07332	10.3
185.04228	0.8
185.07701	1.5
193.12219	1.3
203.05202	0.4
211.13290	0.4
243.08423	2.7
251.12593	1.2
285.17023	0.4
307.15146	0.6
333.20294	1.6
439.19589	1.0
453.21030	1.1
466.28818	0.3
469.20447	10.5
551.28241	4.2
551.36169	0.3
590.07202	0.3
681.34570	0.7
779.41779	100.0
780.42169	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	779.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05519	1.9
57.03446	1.7
60.08166	0.4
61.02927	4.1
61.73140	0.3
64.14310	0.2
67.05179	0.4
67.05505	3.8
69.03424	2.6
69.07060	2.0
71.04997	1.0
71.07380	0.4
71.51634	0.4
73.02915	3.5
79.05495	3.7
81.03418	4.2
81.07055	4.6
83.04980	1.2
83.08601	1.4
85.02901	5.6
85.67172	0.2
86.09701	2.0
86.14592	0.3
86.63172	0.3
87.04499	0.4
87.10020	0.3
91.03958	2.8
91.05475	3.7
93.07037	3.1
95.04955	1.7
95.08606	1.9
97.00925	0.3
97.02896	3.8
97.06563	0.7
97.10196	0.6
99.04466	0.7
101.02389	1.9
102.53565	0.3
103.03942	0.4
104.10796	0.4
105.07030	2.7
107.04962	0.7
107.08585	2.0
107.92422	0.2
109.02886	0.9
109.06504	0.5
109.10188	0.7
111.08084	0.4
115.03967	0.3
115.05479	0.3
117.07049	0.5
117.21853	0.2
119.08595	2.1
121.10149	1.0
123.08114	0.3
123.43670	0.3
124.99999	1.3
127.03957	1.0
129.07031	1.0
131.08601	1.3
133.10123	1.7
135.11716	1.0
145.10176	0.8
147.11696	1.4
149.09636	0.5
157.10179	0.8
159.11713	0.3
175.11255	0.9
184.07335	7.3
185.04240	0.5
185.07713	0.8
193.12282	1.1
203.05379	0.6
211.13371	0.5
243.08427	2.7
251.12474	1.3
260.27924	0.2
285.16776	0.4
296.65060	0.3
307.15121	0.6
327.39185	0.3
333.20358	2.4
389.23511	0.4
439.19510	0.8
453.21255	0.5
469.20462	7.7
551.28265	6.2
746.72650	0.3
779.41809	100.0
780.42401	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
55.30186	0.1
56.05031	0.7
57.03446	0.3
57.08383	0.1
58.06619	0.4
60.08162	5.2
61.02937	0.2
67.05500	0.9
69.03428	0.2
69.07066	0.2
69.22371	1.2
70.06580	0.4
71.04950	0.2
71.07365	3.4
71.07762	0.2
73.02918	0.2
79.05489	0.6
80.05811	0.1
81.03419	0.5
81.07055	0.8
83.08585	0.2
85.02920	0.2
86.09701	27.5
88.07638	0.3
91.05470	0.7
93.07021	0.6
95.04944	0.3
95.08611	0.3
97.02886	0.2
97.38799	0.1
98.97605	0.2
98.97735	0.2
98.98457	3.1
102.09171	0.3
104.10750	2.3
105.07040	0.4
107.04987	0.2
107.08597	0.5
109.10168	0.4
117.07032	0.2
119.08565	0.4
121.10152	0.2
124.99993	18.7
131.08553	0.2
133.10089	0.2
143.01059	0.3
145.10129	0.3
146.99655	0.1
147.11671	0.1
149.01241	0.2
149.02315	1.0
161.02225	0.1
166.02592	0.2
170.99696	0.1
177.00684	0.2
184.07329	100.0
185.07701	0.7
189.00739	0.2
193.04970	0.4
228.23193	0.6
312.12823	0.1
321.04831	0.4
336.88864	0.1
385.09103	0.2
455.10873	0.2
470.21008	0.2
545.38556	0.3
552.12988	0.1
577.13129	0.2
710.43872	9.6
711.43097	0.3
715.31165	0.3
716.32959	0.2
778.41302	4.1
779.40692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5369
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05512	0.1
56.05027	0.8
58.06627	0.5
59.07398	0.2
60.08162	7.0
66.92901	0.1
67.05511	0.3
69.07067	0.2
69.33357	1.0
70.06587	0.1
71.07368	4.4
75.47893	0.1
77.79756	0.1
78.65968	0.1
79.05496	0.3
81.07056	0.4
84.08155	0.1
86.09701	34.5
87.10040	0.2
91.05465	0.2
93.07001	0.2
93.81740	0.1
95.08607	0.3
98.98458	4.3
101.61306	0.1
104.10732	2.6
107.08578	0.2
107.56247	0.1
109.10114	0.2
116.99472	0.1
119.08586	0.2
121.10122	0.2
124.99994	24.7
133.10143	0.1
134.13559	0.1
143.01028	0.4
159.11827	0.1
166.02686	0.3
184.07329	100.0
185.07741	0.7
258.55545	0.1
312.08124	0.1
500.31158	0.2
518.32269	0.3
778.42041	0.1
778.53748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05514	2.1
57.03431	2.3
59.04993	0.4
60.08157	0.6
61.02919	4.6
67.05499	5.4
68.05833	0.3
69.03423	3.6
69.07067	3.2
69.81451	1.2
69.81857	0.7
70.23737	0.3
71.01363	0.6
71.04984	1.2
71.07370	0.4
73.02908	3.2
79.05492	3.7
81.03413	4.9
81.07047	5.1
83.01351	0.6
83.04973	1.6
83.08622	1.3
85.02898	5.3
85.06572	0.4
86.09695	4.8
87.04436	0.5
90.16388	0.3
91.03952	2.2
91.05476	4.9
93.07045	4.2
95.04967	2.0
95.08612	2.6
97.02888	5.0
97.06538	1.1
97.10172	0.9
98.98476	0.5
99.04469	0.8
101.02374	1.4
104.10792	0.4
105.07033	2.8
107.04959	0.8
107.08572	2.6
109.02863	0.8
109.06512	1.1
109.10178	2.2
111.04376	0.4
111.08051	0.4
117.07039	1.2
119.08560	2.6
121.06485	0.5
121.10172	1.2
123.08067	1.0
125.00002	3.2
125.09653	0.6
127.03928	1.5
129.07047	1.1
131.08586	1.2
133.10117	1.7
135.07977	0.4
135.11720	1.0
137.09570	0.5
145.10153	0.8
147.11746	1.2
149.09721	0.6
149.13324	0.4
157.10109	0.5
163.11246	1.4
175.11299	0.5
184.07335	14.2
185.04208	0.9
185.07750	1.1
193.12292	1.0
209.11554	0.4
211.13339	0.6
223.13445	0.7
243.08388	3.3
251.12572	0.6
275.20026	0.5
291.19571	0.8
331.18848	1.3
333.20477	0.5
439.19662	0.5
467.19073	3.9
469.20520	7.3
504.33829	0.5
545.47400	0.4
549.26526	2.0
551.28174	2.0
665.41437	0.4
759.38885	0.4
777.40210	100.0
778.40515	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78828	1.1
55.01870	6.5
55.05509	39.7
57.03439	25.2
57.07062	4.0
59.04994	2.3
61.02928	9.3
65.03924	3.7
65.26830	1.1
67.05504	85.7
69.03428	18.0
69.07068	27.0
69.26350	6.3
69.26775	5.5
71.04993	10.7
71.08629	11.9
73.02903	6.7
73.06573	1.6
79.05492	80.6
80.05853	1.4
81.03416	83.6
81.07053	100.0
82.07405	1.3
83.04978	32.2
83.08616	37.7
85.02902	37.0
85.06548	6.1
85.10208	1.4
91.03955	4.0
91.05478	72.5
92.05825	1.8
93.07039	77.9
94.07381	1.7
95.04966	38.8
95.08604	50.0
97.02896	15.7
97.06528	9.2
97.10144	9.1
99.04450	2.6
99.08086	12.1
101.02368	1.5
103.05473	1.6
105.04561	1.8
105.07027	50.4
105.83408	1.3
106.07352	1.5
107.04943	13.3
107.05569	1.6
107.08590	33.9
109.02864	2.4
109.06512	8.6
109.10152	18.5
110.79239	1.2
111.04463	5.1
111.08082	12.8
113.06026	3.3
115.05473	2.0
117.07004	13.9
119.05009	1.5
119.08577	33.8
121.06519	5.5
121.10136	29.8
121.10939	2.4
123.08083	5.0
123.11720	7.3
125.09607	6.6
127.03919	8.8
128.06236	2.8
129.05508	7.4
129.07010	19.8
131.08554	34.2
133.06523	5.3
133.10127	27.3
135.08064	3.4
135.11688	13.3
137.09657	4.0
139.11165	2.3
142.07822	5.0
143.08575	4.6
145.04953	2.5
145.10127	13.5
147.08057	4.1
147.11682	23.6
148.11984	1.3
149.09605	8.6
149.13258	17.2
151.11197	7.8
155.08615	3.3
156.09329	1.2
157.10120	19.3
159.11682	11.6
160.12192	1.5
161.13251	8.5
163.11203	6.0
163.14844	7.3
165.12749	5.1
169.10260	2.2
171.11725	3.2
173.11864	2.8
173.13300	6.6
175.11188	16.1
175.14836	2.7
177.12769	2.4
177.16360	3.0
179.14384	2.4
181.10150	2.2
183.11731	2.3
184.07373	4.9
185.13257	1.4
187.14868	3.5
189.11217	2.7
193.10474	2.0
193.12230	52.3
195.13852	4.6
199.14873	1.6
201.12839	1.5
201.16423	2.4
211.13271	60.8
212.13641	2.1
227.12851	4.6
229.14401	2.2
233.15381	1.6
241.19496	1.7
243.08434	1.6
243.21075	11.0
245.13823	1.4
259.20575	2.3
261.22137	17.0
265.14420	1.7
267.15921	26.9
269.17456	13.9
277.21558	6.0
285.16953	52.5
286.17459	1.5
301.25159	1.5
317.24866	2.9
335.25784	29.0
351.25403	4.6
373.27606	1.3
407.24393	1.6
435.32440	7.2
453.33710	5.0
461.28864	6.2
465.21042	1.5
471.34875	4.6
479.30011	21.9
509.36380	2.1
517.39648	2.6
527.37262	27.2
527.44550	2.3
528.37823	1.5
545.38336	39.8
546.38702	1.9
776.42725	50.6
777.40375	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	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.0
55.05510	33.1
57.03432	21.2
57.07080	3.8
61.02927	9.5
62.93861	2.1
65.03941	4.7
67.05505	92.2
68.05845	2.8
69.03423	13.7
69.07066	23.9
69.40087	9.1
69.40517	5.4
71.04989	10.4
71.08624	6.6
73.02921	6.7
77.03919	2.1
79.05492	77.7
81.03417	59.2
81.07053	87.0
82.07382	3.0
83.04974	29.7
83.08622	32.4
85.02901	30.4
85.06548	7.3
86.09719	3.6
91.03950	4.9
91.04910	4.5
91.05474	72.3
91.41021	1.8
93.07042	82.4
94.07363	3.6
95.04959	31.5
95.08601	51.4
95.09174	3.2
97.02891	12.4
97.06509	10.7
97.10151	8.4
99.04488	2.9
99.08080	10.4
101.02392	1.8
103.05510	2.5
105.04510	2.0
105.07028	42.9
105.07694	2.8
106.07339	3.3
107.04972	9.7
107.08593	40.3
109.02893	2.0
109.06506	10.2
109.10143	18.8
111.04452	3.7
111.08085	12.3
113.06042	3.1
115.05456	4.2
117.07008	15.2
117.78519	2.2
119.08575	38.7
121.06528	5.3
121.10145	30.6
123.08069	4.4
123.11723	6.7
125.09644	5.0
127.03943	6.6
129.05516	8.2
129.07001	13.3
131.08554	27.6
133.06563	2.6
133.10115	24.8
134.10493	2.0
135.11700	17.7
137.09644	3.3
137.13307	3.1
141.07022	2.6
142.07788	3.9
143.08562	3.6
145.04967	2.4
145.10126	14.9
147.08061	3.9
147.11678	27.1
147.12791	2.1
148.12047	1.9
149.09641	10.1
149.13274	20.0
151.11179	10.1
154.46149	2.2
155.08560	4.6
155.10690	3.1
157.10130	17.4
159.11690	15.5
161.13297	7.9
163.11215	6.5
163.14867	6.9
165.12762	5.0
171.11745	5.2
173.11995	2.0
173.13354	5.2
175.11214	17.0
175.14867	3.4
177.12878	2.5
184.07368	12.2
187.14812	3.0
189.11259	3.9
193.12236	44.0
193.13878	3.0
195.13864	7.7
199.14853	2.8
211.13284	50.1
220.16747	1.8
227.12842	4.4
243.08368	2.0
243.21159	12.2
245.13812	1.7
249.14948	2.1
259.20602	4.2
261.22131	20.2
267.15903	23.4
269.17505	20.8
277.21594	8.7
285.16956	38.7
286.17374	2.9
301.25351	2.9
317.24802	4.3
335.25800	45.1
336.26157	2.6
351.25159	6.3
405.08502	1.9
411.48700	2.0
414.13611	1.9
435.32675	5.3
445.27643	2.1
453.33957	5.0
454.83057	2.0
461.29074	8.2
463.30722	1.9
465.21066	4.6
466.21512	5.7
471.35226	1.9
471.94824	1.9
479.30099	24.7
509.36835	3.6
527.37311	37.2
528.37744	2.2
545.38354	50.0
546.38806	3.1
552.28638	4.1
691.32697	4.4
776.42670	100.0
777.43512	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.2
55.05507	33.5
55.60688	1.6
57.03185	1.9
57.03434	16.5
57.07064	3.3
60.08141	4.5
61.02925	3.3
65.03925	5.1
67.05133	3.4
67.05498	69.9
68.05854	1.6
69.03427	12.7
69.07053	19.7
70.90410	4.4
71.04984	9.5
71.07362	3.4
71.08627	15.7
73.02914	2.6
77.46198	1.4
79.05486	52.7
80.05836	2.0
81.03410	69.8
81.07048	75.5
82.07366	1.6
83.04970	21.3
83.08611	28.2
85.02888	27.3
85.06546	4.2
86.09699	30.4
87.04470	1.6
91.03921	2.2
91.05475	65.3
92.05805	2.1
93.07034	54.9
95.04376	2.8
95.04964	39.6
95.07994	1.8
95.08603	32.0
97.02867	9.2
97.06529	13.1
97.10164	9.0
98.98460	4.0
99.04446	2.5
99.08088	15.7
104.10741	2.9
105.04523	1.6
105.07021	43.1
107.04936	11.6
107.08586	28.6
109.02853	4.1
109.06520	5.7
109.10136	13.7
111.04397	3.2
111.08072	12.1
113.06001	2.3
115.05428	2.7
117.06990	10.0
119.08577	29.7
121.06493	4.4
121.10137	22.2
123.08052	6.1
123.11723	4.2
124.12003	1.7
124.99989	20.6
125.09607	6.5
127.03904	5.3
127.07561	1.4
128.06262	1.9
129.05470	2.3
129.06978	13.7
131.08569	19.9
133.06458	4.1
133.10106	25.5
135.08069	3.7
135.11688	11.6
137.09607	2.8
142.07799	4.0
143.08554	5.2
145.10106	9.0
147.08038	4.7
147.11664	20.7
149.09656	7.6
149.13239	14.1
151.11163	16.6
155.08537	2.7
157.10129	14.1
159.11659	6.8
161.13213	4.7
163.11160	13.7
165.12733	5.3
171.11668	4.3
173.04469	2.6
173.13271	2.2
175.11163	12.5
177.12698	3.1
179.14334	3.8
181.42908	1.6
184.07321	100.0
185.13220	2.3
187.14880	1.6
193.12227	44.1
195.13791	5.2
197.13306	1.9
211.13274	62.6
212.13640	2.0
227.12782	6.9
229.14366	1.9
230.21622	1.6
241.19475	2.2
259.20563	6.6
267.15863	35.2
268.16293	2.9
269.17432	34.8
275.20038	3.2
277.21545	15.4
285.16953	54.2
286.17203	2.4
287.18201	1.5
295.22708	2.0
307.18930	1.6
312.78915	1.6
323.25797	1.8
351.25305	23.0
355.86758	1.7
361.24396	1.7
383.23730	3.0
413.21152	2.5
431.28580	1.7
439.26929	1.7
443.28088	1.9
445.29489	1.8
455.26019	1.5
461.28949	28.6
463.30768	3.0
479.30002	84.3
480.30237	4.5
481.30792	3.6
503.33966	2.2
513.47906	1.8
525.35956	3.1
533.37836	2.0
543.36584	12.3
561.37811	27.5
602.02515	1.9
623.33734	4.6
708.42261	5.3
777.40173	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	776.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05271	0.3
55.05510	4.5
56.05020	0.7
57.03433	3.2
59.04987	0.7
60.08155	5.7
61.02908	1.0
65.03948	0.8
67.05502	21.0
69.03429	2.2
69.06683	0.4
69.07064	6.3
69.30407	2.3
71.04990	8.1
71.07368	3.4
71.08616	1.2
73.02914	0.5
74.28665	0.3
79.05488	11.3
81.03422	6.0
81.07049	14.7
82.07349	0.4
83.04980	2.9
83.08617	4.4
85.02898	1.9
85.06521	1.3
86.09702	30.9
91.03936	0.5
91.05475	10.6
93.07042	12.9
94.07315	0.4
95.04959	4.0
95.08600	7.5
97.02872	1.4
97.06514	3.6
97.10162	2.4
98.98463	2.9
99.04426	0.6
99.08070	1.2
104.10730	2.8
105.07024	7.6
107.04942	1.7
107.08581	7.7
109.02879	0.4
109.06504	1.8
109.09401	0.6
109.10144	11.7
111.04445	0.7
111.08085	2.0
113.06056	0.4
113.09632	0.4
117.07006	3.5
119.08572	6.9
121.06425	0.8
121.10136	3.8
123.08031	1.0
123.11703	0.5
124.99996	20.4
125.09605	1.4
127.03894	0.7
129.05473	0.8
129.06989	1.9
131.08551	3.6
133.06451	0.7
133.09142	0.4
133.10129	5.9
134.10474	0.4
135.08055	1.4
135.11690	5.2
137.09602	2.5
143.01010	0.3
143.08549	1.2
145.04929	0.4
145.10100	3.3
147.08073	0.4
147.11699	2.5
149.09636	2.0
149.13272	1.6
151.11163	1.3
155.08591	0.4
155.10707	0.4
157.10092	1.5
159.11671	2.7
161.09598	0.3
161.13225	1.5
163.11160	2.5
169.10132	0.7
169.12228	0.8
170.38228	0.3
171.11644	0.7
173.04520	0.4
173.11705	1.8
173.13277	1.2
175.11157	0.9
175.14798	0.5
177.12726	0.6
179.14290	2.2
181.12238	0.9
183.11711	0.5
184.07330	100.0
185.07623	1.1
185.09399	0.4
187.14871	0.5
189.11107	0.7
193.12259	1.6
195.13838	0.8
197.13268	0.4
211.13210	2.0
227.12688	2.7
229.14334	1.2
239.18040	0.4
243.15874	0.8
253.14397	0.9
255.15814	1.6
257.19095	0.8
259.20486	0.9
267.15878	3.3
269.17407	2.0
275.20050	4.2
277.21548	1.4
285.16885	1.2
287.18460	4.4
293.21097	0.4
312.22626	0.4
328.50021	0.3
331.22696	0.5
335.25314	0.4
349.23654	2.5
351.25290	1.6
352.47797	0.4
405.27066	0.4
409.25754	1.2
423.27365	4.0
424.27631	0.4
431.28012	0.4
435.27414	3.0
437.28952	1.1
449.29047	2.9
461.28638	0.6
467.30283	0.8
479.29861	1.7
481.31622	7.3
483.17621	0.6
485.32733	0.9
503.26291	0.5
503.33591	8.0
504.33878	0.5
517.35168	0.9
529.35199	3.4
543.36700	4.9
561.37738	4.5
579.38745	0.9
593.33289	0.7
642.87067	0.4
726.43378	8.5
727.43323	0.6
759.38373	0.8
768.02960	0.4
777.39685	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	776.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05271	0.3
55.05510	4.5
56.05020	0.7
57.03433	3.2
59.04987	0.7
60.08155	5.7
61.02908	1.0
65.03948	0.8
67.05502	21.0
69.03429	2.2
69.06683	0.4
69.07064	6.3
69.30407	2.3
71.04990	8.1
71.07368	3.4
71.08616	1.2
73.02914	0.5
74.28665	0.3
79.05488	11.3
81.03422	6.0
81.07049	14.7
82.07349	0.4
83.04980	2.9
83.08617	4.4
85.02898	1.9
85.06521	1.3
86.09702	30.9
91.03936	0.5
91.05475	10.6
93.07042	12.9
94.07315	0.4
95.04959	4.0
95.08600	7.5
97.02872	1.4
97.06514	3.6
97.10162	2.4
98.98463	2.9
99.04426	0.6
99.08070	1.2
104.10730	2.8
105.07024	7.6
107.04942	1.7
107.08581	7.7
109.02879	0.4
109.06504	1.8
109.09401	0.6
109.10144	11.7
111.04445	0.7
111.08085	2.0
113.06056	0.4
113.09632	0.4
117.07006	3.5
119.08572	6.9
121.06425	0.8
121.10136	3.8
123.08031	1.0
123.11703	0.5
124.99996	20.4
125.09605	1.4
127.03894	0.7
129.05473	0.8
129.06989	1.9
131.08551	3.6
133.06451	0.7
133.09142	0.4
133.10129	5.9
134.10474	0.4
135.08055	1.4
135.11690	5.2
137.09602	2.5
143.01010	0.3
143.08549	1.2
145.04929	0.4
145.10100	3.3
147.08073	0.4
147.11699	2.5
149.09636	2.0
149.13272	1.6
151.11163	1.3
155.08591	0.4
155.10707	0.4
157.10092	1.5
159.11671	2.7
161.09598	0.3
161.13225	1.5
163.11160	2.5
169.10132	0.7
169.12228	0.8
170.38228	0.3
171.11644	0.7
173.04520	0.4
173.11705	1.8
173.13277	1.2
175.11157	0.9
175.14798	0.5
177.12726	0.6
179.14290	2.2
181.12238	0.9
183.11711	0.5
184.07330	100.0
185.07623	1.1
185.09399	0.4
187.14871	0.5
189.11107	0.7
193.12259	1.6
195.13838	0.8
197.13268	0.4
211.13210	2.0
227.12688	2.7
229.14334	1.2
239.18040	0.4
243.15874	0.8
253.14397	0.9
255.15814	1.6
257.19095	0.8
259.20486	0.9
267.15878	3.3
269.17407	2.0
275.20050	4.2
277.21548	1.4
285.16885	1.2
287.18460	4.4
293.21097	0.4
312.22626	0.4
328.50021	0.3
331.22696	0.5
335.25314	0.4
349.23654	2.5
351.25290	1.6
352.47797	0.4
405.27066	0.4
409.25754	1.2
423.27365	4.0
424.27631	0.4
431.28012	0.4
435.27414	3.0
437.28952	1.1
449.29047	2.9
461.28638	0.6
467.30283	0.8
479.29861	1.7
481.31622	7.3
483.17621	0.6
485.32733	0.9
503.26291	0.5
503.33591	8.0
504.33878	0.5
517.35168	0.9
529.35199	3.4
543.36700	4.9
561.37738	4.5
579.38745	0.9
593.33289	0.7
642.87067	0.4
726.43378	8.5
727.43323	0.6
759.38373	0.8
768.02960	0.4
777.39685	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05262	0.9
55.05507	8.2
57.03443	3.0
57.07063	2.7
58.72834	0.6
59.04994	0.8
60.31310	0.6
60.89542	0.7
61.02926	10.9
65.03947	0.8
67.05502	17.2
68.08616	0.6
69.03419	6.8
69.07067	9.3
71.01350	0.7
71.04998	1.3
71.07392	1.0
71.08619	1.5
71.50995	0.7
71.51380	0.9
73.02921	5.3
79.05489	11.8
81.03412	4.3
81.07054	18.0
83.04987	1.2
83.08630	4.3
85.02892	11.0
85.06524	0.9
86.09719	4.0
91.03947	5.0
91.05465	8.9
93.07039	13.3
95.04980	2.7
95.08604	12.4
95.34050	0.6
97.02892	7.7
97.06520	1.7
97.10155	1.5
101.02371	1.2
105.07027	9.8
107.08583	6.7
109.02879	1.1
109.06519	1.1
109.10147	4.2
111.08091	0.8
117.07013	4.4
119.08571	10.0
121.10143	4.9
123.11706	2.0
125.00002	3.3
125.09629	1.0
127.03918	2.6
129.06972	3.8
131.08563	12.1
133.10121	6.6
135.11699	2.2
137.09608	0.9
137.13243	1.4
141.06970	1.0
142.07869	0.6
143.08556	5.8
145.10132	9.4
147.11679	3.1
149.09566	0.9
149.13368	1.5
151.11230	0.7
155.08574	2.9
156.09325	0.6
157.10149	5.1
159.11702	4.4
161.13242	3.7
167.08539	1.5
169.10144	2.6
171.11589	3.0
173.13257	3.8
175.14832	2.8
178.10843	0.6
181.04715	0.7
181.10005	1.3
183.11699	3.2
183.18411	0.7
184.07329	11.7
185.07675	2.5
185.13342	3.2
187.14799	3.1
189.16302	1.2
193.12253	0.7
195.11731	1.2
197.13359	2.1
199.14853	2.9
201.16400	3.5
207.21126	0.7
209.13347	0.9
211.14890	1.7
213.16425	1.5
215.17943	1.6
217.19614	1.1
223.14749	0.8
225.16385	1.7
227.17966	1.6
239.18050	0.8
243.21025	0.9
245.22623	0.7
269.07895	0.7
269.22400	0.7
290.23117	0.7
335.52213	0.7
337.27359	0.9
355.29617	0.8
445.45587	0.7
503.43167	0.7
515.37115	0.8
517.38489	0.8
521.43536	3.5
529.38733	0.9
539.44812	1.3
543.40424	1.0
595.47107	5.7
611.46997	1.1
613.48242	100.0
614.48633	7.7
625.48364	1.7
655.49420	1.2
721.50208	1.2
757.52411	1.5
775.40009	0.7
775.53381	16.8
776.53790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05453	1.9
57.03378	1.3
61.02865	4.9
64.58742	0.4
65.03885	0.4
65.38461	0.3
67.05435	6.5
69.03423	2.7
69.07002	1.9
69.07351	0.7
71.52959	0.6
73.02914	3.2
79.05492	6.8
81.03416	2.6
81.07055	5.2
83.04920	1.7
83.08552	1.1
85.02905	4.4
86.09662	0.5
87.04440	0.5
91.03944	2.7
91.05478	5.7
93.07039	7.2
95.04960	2.2
95.08611	3.4
97.02887	3.4
97.06483	0.9
97.10115	0.6
99.04412	0.7
101.02306	1.8
103.03876	0.5
105.07027	4.7
107.04917	0.9
107.08594	2.6
109.02817	0.9
109.06435	0.6
109.10072	1.4
117.06983	1.1
119.08588	3.6
121.06418	0.7
121.10083	1.3
123.08016	0.6
127.03831	1.5
129.06996	1.8
131.08487	0.9
133.10037	1.7
135.11624	0.8
143.08562	0.8
145.10017	1.7
147.11693	3.1
159.11661	0.5
161.13168	1.8
171.11642	2.6
184.07333	2.8
185.04164	0.6
187.14836	0.4
189.12659	0.9
203.05098	0.6
207.13733	1.2
243.08337	3.4
247.13054	4.0
273.14618	0.6
281.17334	1.3
287.16180	0.7
299.14908	0.6
303.15588	1.3
305.30356	0.4
335.25842	0.9
453.21036	1.1
465.20953	32.0
466.21295	1.0
468.06552	0.4
509.29172	0.6
527.30054	1.6
533.27106	1.9
537.22888	0.6
551.28351	3.7
555.29803	0.8
593.29144	0.6
659.33838	2.7
661.35767	0.6
663.33789	0.5
677.34949	3.6
688.33893	1.1
689.35028	100.0
690.35449	6.9
757.41290	9.3
775.42139	22.0
776.42810	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	775.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05509	3.3
57.03433	2.1
61.02920	4.1
65.03934	0.8
67.05499	8.7
68.05836	0.4
69.03426	3.1
69.07069	3.6
69.18069	4.5
71.04995	1.4
73.02902	2.9
79.05030	0.4
79.05491	9.7
81.03414	3.7
81.07052	9.8
81.07535	0.6
82.07391	1.1
83.04987	2.5
83.08609	2.3
85.02897	5.5
85.06551	0.5
86.09706	1.7
87.04458	0.5
91.03944	2.2
91.05478	8.4
92.05779	0.6
93.07034	8.8
94.07396	0.6
95.04960	4.4
95.08606	5.5
97.02891	3.9
97.06519	0.9
97.10162	0.8
99.04463	0.7
101.02385	1.7
105.04462	0.5
105.07011	5.7
107.04961	1.6
107.08598	3.4
109.02906	0.8
109.06519	1.1
109.10130	2.1
111.08106	1.2
117.07022	1.2
118.07359	0.4
119.08585	4.3
121.06535	0.6
121.10129	1.9
123.08054	0.7
125.00011	0.8
127.03932	1.5
129.05492	0.5
129.07002	2.3
131.08540	2.1
133.10133	3.0
134.10443	0.4
135.08035	0.8
135.11710	1.7
136.12088	0.4
137.09660	0.7
143.08554	1.1
145.10133	2.0
147.08038	0.6
147.11642	3.0
149.09660	0.8
149.13316	1.1
157.10149	1.0
159.11690	0.7
161.13310	1.2
163.11215	1.0
171.11743	1.1
173.13258	0.5
175.11243	0.6
184.07314	3.4
185.07747	0.4
189.12720	0.5
193.12288	1.5
203.05225	0.5
207.13899	0.5
211.13237	1.9
212.13701	0.9
243.08392	3.5
247.13127	1.1
255.15993	0.5
259.20560	0.6
267.15964	0.8
269.17514	1.0
269.78140	0.4
270.17688	0.5
275.20096	1.0
276.20480	0.7
285.17081	2.0
286.17358	0.9
333.20486	2.0
333.24164	0.7
334.24594	0.5
424.22311	0.5
439.19519	0.9
448.28821	0.5
453.20804	0.9
465.20984	9.8
479.30127	0.5
480.30511	0.7
544.36963	0.9
551.28284	5.2
775.42334	100.0
776.42651	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	775.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73796	1.6
71.43665	2.3
71.67769	1.5
80.58084	1.7
103.76151	1.7
104.33754	1.4
106.17495	1.6
117.06971	1.7
133.66808	1.7
154.39001	2.0
184.07385	2.7
246.65961	2.0
485.29962	1.6
489.14282	1.9
520.58612	1.9
551.25879	1.8
622.64825	1.9
649.19971	1.7
775.40240	100.0
776.40308	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	775.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05506	3.4
57.03428	3.3
61.02918	4.1
64.64100	0.4
67.05499	8.6
68.05824	0.9
69.03423	3.2
69.07072	3.2
69.29688	3.4
69.30115	1.3
71.04985	1.3
73.02908	3.1
79.05489	8.7
81.03408	3.7
81.07049	9.1
82.07383	0.5
83.04977	2.2
83.08617	1.7
85.02901	4.0
85.60564	0.4
86.09718	0.5
87.04457	0.6
91.03937	3.2
91.05484	7.2
92.05795	0.6
93.07040	6.6
95.04977	2.2
95.08594	5.2
97.02879	4.2
97.06529	1.4
97.10145	0.6
101.02383	1.6
103.05468	0.7
105.07023	5.4
106.07344	0.6
107.04948	1.0
107.08590	3.5
109.06515	1.0
109.10157	1.4
111.08058	0.5
115.03876	0.6
117.07043	1.3
119.08583	3.7
121.06467	0.9
121.10149	1.7
123.08071	1.0
123.11711	0.6
125.09617	0.6
127.03909	1.8
129.06985	1.8
131.08569	2.1
133.10136	2.5
135.08037	0.6
135.11671	2.2
137.09584	0.5
143.08578	1.7
145.10135	1.4
147.11667	3.8
149.09633	0.6
149.13284	1.2
157.10081	0.6
159.11671	1.4
161.13248	0.9
163.11224	0.6
171.11720	1.5
184.07390	1.6
193.12283	0.7
195.13722	0.6
207.13837	0.7
211.13411	1.2
243.08388	3.4
247.13106	0.8
267.16058	0.7
267.56781	0.5
269.17496	1.4
270.17960	0.7
275.20071	0.9
281.17480	0.6
303.15686	0.7
333.20486	1.3
357.35074	0.4
383.10138	0.5
389.22766	0.6
431.31662	0.5
439.19513	0.9
453.20834	1.2
463.29843	0.5
465.20935	11.2
469.20459	0.6
480.31418	0.6
551.28217	3.9
677.34949	1.0
775.42285	100.0
776.42712	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	774.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.5
55.05275	1.7
55.05509	20.6
55.30926	1.3
57.03432	21.8
57.07064	2.8
60.08158	3.1
61.02909	3.3
64.11243	1.3
65.03946	2.6
67.05502	71.3
69.03415	7.7
69.06749	1.2
69.07071	16.9
71.04986	4.9
71.07315	1.1
71.21362	2.8
73.02901	3.1
79.05492	49.7
81.03415	92.0
81.07052	68.0
82.07368	2.6
83.04994	7.4
83.08154	2.1
83.08616	25.0
85.02882	4.8
85.06531	4.1
86.09711	12.8
91.03926	1.8
91.04907	2.0
91.05477	41.2
93.07038	58.0
95.04962	31.3
95.05559	1.9
95.08603	53.2
96.08922	2.1
97.02885	5.6
97.06525	5.8
97.10156	9.0
99.08098	2.0
103.05465	1.3
105.07020	26.8
106.07386	1.2
107.04968	8.1
107.08587	28.1
109.02896	1.4
109.06494	5.7
109.10154	25.5
111.04436	1.7
111.08080	7.7
115.05424	2.2
117.07005	8.5
119.08576	27.1
121.06465	4.7
121.10130	26.1
123.04399	3.3
123.08044	5.1
123.11671	9.5
123.53178	1.5
124.99989	7.5
125.09627	4.7
128.06197	1.4
129.06996	13.6
131.04858	1.7
131.08556	24.5
132.08904	1.3
133.06467	3.8
133.10112	16.3
135.08057	2.7
135.11678	16.5
137.09634	3.2
137.13216	2.1
142.07739	1.7
143.08565	4.2
145.10127	14.2
147.08046	3.1
147.11682	15.2
149.09560	5.9
149.13266	9.4
151.11134	1.6
155.08501	1.6
157.10164	13.7
159.11674	11.1
159.58534	1.3
161.13235	6.6
163.11163	2.8
163.14835	2.8
165.12718	3.5
169.10133	3.5
171.11662	3.7
173.13234	5.5
175.11179	8.1
175.14827	2.8
177.12779	2.1
177.16301	1.9
181.04961	1.6
183.11597	2.1
184.07336	41.5
185.07681	1.4
185.13214	4.6
187.14848	5.5
189.11176	3.2
193.12209	23.9
197.13248	2.1
199.14714	2.2
201.12932	1.3
211.13165	2.1
227.12788	5.5
235.13052	1.8
243.21162	4.5
249.14803	2.7
261.22162	21.3
267.15906	99.1
268.16263	2.4
279.23111	1.7
285.22202	1.5
299.23514	1.6
301.14276	1.4
301.25293	6.5
303.23245	1.7
309.17020	2.7
317.24631	3.5
335.25781	100.0
336.26102	3.1
349.09116	1.4
361.23071	1.2
417.31476	2.2
421.25754	2.1
435.27255	1.8
435.32535	5.3
453.33743	7.5
461.28241	1.3
471.34723	4.1
527.37311	64.1
528.37329	4.2
545.38330	43.2
569.38458	7.5
611.46234	3.4
612.46954	21.2
635.39221	2.7
664.82855	1.3
756.52100	1.6
774.51611	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.6
55.05506	34.2
57.03434	24.5
57.07090	2.5
58.22441	1.5
61.02910	4.8
65.03938	6.0
67.05499	74.3
68.05824	2.5
69.03429	11.1
69.07061	30.7
70.56461	5.1
70.56804	1.6
71.04996	9.7
71.08629	3.7
73.02908	3.2
77.03889	2.2
79.05486	78.4
80.05823	2.9
81.03410	67.6
81.07047	84.7
83.04965	22.3
83.08610	29.9
85.02895	28.1
85.06537	4.6
86.09695	2.0
91.03953	2.4
91.05473	100.0
92.05760	2.3
93.07033	65.5
95.04962	34.6
95.08600	41.4
97.02889	9.4
97.06512	12.8
97.10155	9.6
99.04443	2.2
99.08069	5.5
103.05453	2.9
105.04457	2.7
105.07018	83.1
107.04935	15.1
107.08572	42.8
109.06505	10.0
109.10151	18.6
111.04412	4.1
111.08052	14.9
113.17496	1.8
115.05423	4.2
117.07008	22.6
119.07700	3.4
119.08569	69.3
120.08881	1.6
121.06495	4.6
121.10131	27.3
123.04442	2.4
123.08087	8.1
123.11710	5.1
125.00022	2.4
125.09591	8.0
127.03889	4.4
128.06233	3.3
129.05539	7.1
129.06993	22.1
130.07826	1.6
131.08546	39.7
133.06454	4.0
133.10117	56.3
134.10474	3.0
135.08051	4.5
135.11665	16.1
137.09604	6.5
139.11192	2.6
141.06976	2.6
142.07791	4.1
143.08580	8.8
145.04881	1.5
145.10106	21.9
147.08037	5.8
147.11665	44.9
148.11969	1.7
149.09564	14.0
149.13275	12.7
151.11188	3.8
153.09148	2.1
155.08540	2.3
157.10107	23.3
159.11670	21.8
161.09592	2.2
161.13249	20.3
163.11159	7.7
163.14857	2.0
165.12749	4.8
169.10133	3.3
171.10359	2.4
171.11649	11.4
173.13225	8.1
175.11165	19.3
175.14850	8.9
177.12671	2.4
179.14183	2.4
183.11641	6.0
184.07286	7.8
185.13226	8.4
187.11089	2.6
187.14847	2.3
188.51947	1.6
189.11200	2.9
193.12210	52.5
195.13794	6.4
197.13187	2.8
199.14810	3.0
201.12733	1.9
209.13107	2.5
211.13260	67.3
213.14532	1.7
213.16426	1.6
215.14478	1.7
217.15977	1.9
227.12755	4.9
231.21091	3.5
239.17897	2.6
241.19487	18.6
249.14922	1.8
253.14281	1.7
253.33702	1.7
257.19083	7.8
259.20566	41.3
267.15881	24.3
268.16187	2.0
269.17444	14.8
275.20062	14.2
283.15268	4.1
285.16943	51.4
293.20993	10.9
301.16492	3.9
315.23087	3.3
333.24231	32.6
334.24734	2.3
349.23776	10.2
433.30920	3.4
451.31677	3.1
461.28772	6.9
473.28864	2.0
479.29880	21.8
480.30402	2.1
507.34525	2.9
525.35809	16.9
526.35687	1.9
543.36700	31.4
544.37091	3.1
559.36359	8.4
577.36682	5.7
775.41907	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	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.6
55.05507	31.8
57.00792	1.6
57.03433	23.3
57.07073	2.7
61.02920	3.3
65.03930	3.7
65.95083	1.6
67.05501	72.8
69.03428	11.0
69.07066	33.9
70.97113	4.1
71.04996	11.9
73.02908	2.5
76.69599	1.5
79.05023	2.4
79.05491	70.1
81.03415	73.1
81.07053	100.0
83.04974	25.8
83.08618	31.0
83.09103	1.1
85.02899	28.7
85.06531	3.8
91.05478	78.2
93.07039	69.5
95.04967	33.3
95.08607	36.7
97.02874	5.8
97.06528	14.0
97.10162	6.7
99.04456	2.9
99.08088	3.6
103.05450	2.2
105.06314	2.6
105.07027	52.6
107.04960	16.4
107.08590	35.8
109.02872	2.5
109.06518	9.9
109.10159	9.4
111.04459	2.3
111.08080	16.7
113.05969	3.6
115.05386	2.1
117.07021	14.8
119.08572	36.1
121.06499	6.8
121.10123	19.3
123.08051	6.8
123.11665	6.1
125.09632	4.4
127.03891	1.6
128.06200	3.0
129.07007	15.9
131.08559	23.0
133.06439	5.2
133.10139	32.2
135.08034	3.4
135.11684	15.2
137.09607	4.1
141.06964	2.4
142.07748	2.7
143.08560	4.8
145.10112	15.9
147.08015	5.7
147.11688	20.4
149.09613	19.3
149.13278	13.3
151.11198	4.0
151.21634	1.9
155.08499	2.8
157.10123	16.5
159.11693	13.4
161.09616	2.4
161.13205	3.4
163.11176	8.2
165.12773	5.0
169.10103	2.5
171.11714	2.9
173.04385	1.8
173.13258	3.3
175.11209	13.9
177.12737	5.1
179.14215	2.4
183.11688	2.0
184.07422	4.0
185.13199	1.8
187.51468	1.9
193.12238	42.8
194.12662	3.0
195.13779	8.2
197.13136	2.4
201.12712	1.9
211.13281	57.6
227.12706	3.2
247.20448	2.9
255.15843	15.0
257.18964	7.0
267.15884	32.2
269.17465	46.3
270.17874	2.0
275.20047	27.9
284.86624	1.8
285.16962	53.2
286.17133	3.5
293.20963	2.4
349.23734	20.0
351.23645	1.9
367.24954	4.8
413.21780	2.7
443.27893	5.1
447.27261	7.2
461.28955	43.8
462.28979	2.7
465.28540	19.8
479.30023	92.4
480.30106	5.1
486.66895	1.7
517.76575	2.0
541.35406	9.8
559.36285	19.9
560.36243	2.1
577.37152	4.7
677.36328	2.4
745.26245	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.9
55.05271	3.1
55.05509	35.9
57.03435	27.9
57.07056	2.4
60.22082	1.9
61.02909	6.2
65.03927	4.5
67.05503	76.6
69.03423	11.4
69.06682	2.8
69.07066	43.9
69.25027	20.8
69.25421	4.8
71.01334	2.4
71.05001	10.2
73.02876	2.9
77.31636	2.1
78.14669	1.7
79.05492	73.0
81.03413	92.5
81.07054	90.4
82.07444	1.9
83.04971	29.7
83.08632	37.7
83.60760	2.1
85.02900	35.0
85.06536	6.7
91.05478	80.2
93.07041	69.2
93.07641	2.6
95.04961	41.6
95.08601	36.3
97.02914	10.2
97.06527	22.0
97.10159	17.9
99.04449	2.7
99.08089	4.0
105.04519	4.1
105.07024	53.2
107.04966	15.7
107.08589	45.3
108.90689	2.2
109.02860	2.5
109.06498	12.9
109.10148	11.0
111.04454	3.9
111.08084	18.5
113.05989	4.2
115.05440	3.8
117.06994	17.9
119.07726	2.5
119.08570	38.1
121.06490	6.4
121.10139	22.8
123.08047	7.3
123.11699	8.6
125.09643	8.6
127.03913	6.3
129.05446	2.4
129.06996	18.9
131.08566	32.2
133.06448	5.9
133.10117	36.2
135.08029	4.4
135.11667	12.2
137.09613	4.2
137.54712	2.0
141.06979	2.5
142.07736	4.1
143.08525	4.4
145.10129	20.7
147.08078	4.3
147.11668	33.4
149.08585	2.3
149.09641	21.4
149.13245	10.7
151.11165	2.7
155.08517	3.7
157.10124	21.9
159.07993	2.3
159.11661	13.5
161.13245	3.1
163.11154	13.7
165.12721	5.3
169.10123	3.6
169.51910	2.0
171.11682	3.4
173.04462	2.7
173.13300	7.0
175.11194	17.9
177.12724	4.8
179.14255	3.9
183.11626	3.6
185.13206	3.0
187.11256	2.4
189.11183	6.5
189.12730	3.2
193.12242	62.4
195.13818	5.4
211.13277	100.0
212.13715	2.2
227.12735	17.7
229.14241	3.1
229.19540	3.3
233.15498	2.6
239.17908	3.9
247.20699	3.2
249.14738	3.5
255.15819	11.6
257.19073	11.8
267.15909	46.8
267.18661	4.0
269.17459	34.0
275.20062	42.2
276.20078	2.2
285.16956	99.4
293.21140	5.1
299.19089	2.2
331.22751	3.8
349.23724	41.0
350.24063	4.2
367.24799	2.6
413.21790	3.2
437.25046	2.4
439.27011	3.0
447.27417	14.0
455.26401	4.1
461.29019	30.2
465.28455	20.8
479.30032	81.3
480.30081	6.5
513.35883	2.8
541.35187	20.0
559.36212	46.9
560.36475	4.1
577.36902	8.9
623.34229	3.6
742.47241	2.4
772.14886	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	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.6
55.05510	40.5
57.03191	2.7
57.03436	28.3
57.07063	2.9
59.05008	2.2
59.66544	1.8
60.15574	1.8
61.02913	9.0
62.35242	2.0
65.03935	6.1
67.05502	91.9
69.03432	12.5
69.07067	34.7
69.28860	21.8
71.04986	9.7
71.96664	2.0
72.81351	2.2
73.02905	4.1
79.05489	77.6
80.05806	2.2
81.03413	73.3
81.07050	88.1
82.03745	2.4
83.04982	27.9
83.08606	35.5
84.61117	2.4
85.02907	33.9
85.06549	5.8
86.09711	2.9
86.52544	1.8
91.03950	3.8
91.05475	100.0
93.07038	79.6
93.07632	2.2
94.07366	2.4
94.18760	2.1
95.04958	39.2
95.08601	44.4
97.02870	9.3
97.06528	16.6
97.10163	7.9
98.09687	3.0
99.08073	7.8
103.05422	2.3
105.07023	90.1
107.04960	15.8
107.08591	39.3
109.02869	2.5
109.06502	10.8
109.10150	20.8
111.04418	4.4
111.08076	20.7
115.05406	3.1
117.07014	26.5
119.08573	64.2
121.06494	6.3
121.10129	33.3
123.08054	10.0
123.11685	5.7
125.09605	6.2
127.03898	5.1
128.06235	2.1
129.05464	6.9
129.06984	26.1
131.08562	43.0
133.06569	4.0
133.10117	47.6
134.10448	4.3
135.08035	6.2
135.11679	15.6
137.09564	4.1
141.06972	4.9
142.07785	4.6
143.08572	9.2
145.04965	3.6
145.10123	20.7
147.08047	5.2
147.11684	50.3
149.09621	21.1
149.13263	15.2
151.11166	5.9
155.08502	4.8
157.10100	25.4
159.11690	25.7
161.09616	3.7
161.13268	17.0
163.11197	10.6
165.12718	4.8
169.10077	4.9
171.11626	12.0
173.11873	2.4
173.13242	9.0
175.11185	20.6
175.14801	5.2
177.12735	7.4
179.14333	2.3
181.10153	3.1
183.11693	5.8
184.07402	12.0
185.13248	9.1
187.14793	4.6
189.12785	3.6
189.16478	2.2
193.12250	65.4
194.12598	2.5
195.13745	3.9
199.14865	3.7
207.13799	2.5
211.13274	72.8
212.13676	3.0
213.16447	3.3
217.15952	3.0
227.12700	5.2
229.14334	3.4
231.21104	2.9
239.18015	3.7
241.19542	16.9
253.14275	5.4
257.19003	5.8
259.20572	43.2
267.15891	32.5
269.17477	19.6
275.20135	20.2
283.15244	3.5
285.14081	4.3
285.16962	56.3
286.17282	5.2
293.21112	11.1
301.16611	2.7
315.23093	5.6
333.24237	42.5
334.24448	2.9
349.23654	9.4
367.24744	3.7
433.30676	4.7
451.31897	5.0
461.29102	12.4
479.29868	26.9
515.37140	3.5
525.35809	14.6
543.36768	42.0
544.37067	4.3
559.36035	6.9
577.36987	7.9
665.46765	2.7
775.41620	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03808	1.6
55.01863	11.4
55.05507	53.7
57.03438	14.1
61.02921	3.8
65.03923	2.4
67.05137	3.0
67.05500	54.9
69.03424	12.6
69.07063	23.4
70.76914	3.8
71.04981	7.1
73.35512	1.7
75.70753	1.4
76.50777	1.6
79.05490	69.3
81.03414	69.0
81.03781	1.1
81.07050	52.1
83.04976	22.7
83.08614	38.0
83.08988	0.9
83.71326	1.6
85.02898	24.2
85.06534	2.0
86.09735	1.7
91.05475	56.5
93.07037	39.8
95.04964	30.0
95.08602	22.6
97.02875	5.9
97.06519	12.3
97.10162	48.8
99.08093	2.5
105.07026	52.5
107.04946	14.4
107.08586	68.7
109.02879	3.8
109.06503	5.3
109.10147	16.3
111.04490	2.3
111.08068	12.3
113.06041	1.8
115.05437	3.3
117.07017	9.6
119.08578	30.0
121.06512	4.1
121.10135	14.6
123.08062	4.0
123.11742	4.7
125.09625	44.5
127.03886	5.2
129.06996	14.0
131.08565	22.5
133.06433	2.3
133.10133	27.9
135.08028	5.4
135.11679	5.2
137.09621	4.7
143.08551	3.3
145.10115	21.5
147.08043	5.7
147.11678	30.5
149.09598	20.0
151.11134	1.8
153.09096	3.6
157.10130	18.0
159.11707	6.7
161.13254	5.2
163.11189	3.6
165.12744	5.3
169.10144	2.0
171.10204	4.0
171.11612	3.1
172.68414	1.6
173.11790	3.4
173.13202	2.1
175.11168	15.4
183.11667	3.4
184.07361	7.3
189.11221	28.4
193.12239	52.7
211.13274	76.1
212.13654	2.6
227.12762	86.5
228.13043	1.7
229.19447	2.1
239.17970	4.9
245.13831	5.9
249.15118	1.8
257.18997	12.4
267.15942	25.0
275.20050	64.5
276.20441	3.0
285.16937	66.9
286.17316	2.3
293.21002	3.0
299.20059	1.8
331.22635	4.0
349.23712	63.5
350.24231	2.5
381.22357	2.2
389.17938	2.6
419.24304	2.4
437.25467	11.3
449.30374	3.3
455.26300	19.5
467.31458	2.2
523.33911	3.9
541.35309	38.5
542.35822	2.9
559.36298	100.0
560.36969	8.1
577.37146	6.6
581.30054	3.4
599.29889	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85916	1.4
55.01871	5.7
55.05508	32.8
57.03435	14.9
57.07078	2.2
57.36129	1.1
59.05001	2.3
61.02925	6.3
65.03928	3.4
67.05502	100.0
68.05019	1.4
68.05826	1.7
69.03427	17.5
69.07063	37.4
69.25864	2.4
69.26271	10.1
71.01338	3.0
71.04981	10.5
71.08607	2.2
73.02905	4.5
77.03931	1.8
79.05489	60.9
80.05822	1.9
81.02993	2.0
81.03416	21.9
81.07052	94.5
82.17106	1.2
83.04968	16.1
83.08153	2.0
83.08620	23.6
85.02906	9.8
85.06521	7.4
86.09687	3.3
87.04481	1.3
91.03957	2.7
91.05475	50.3
92.05763	1.5
93.07043	67.4
95.04967	18.2
95.08602	47.9
96.08942	1.6
97.02887	10.9
97.06520	14.2
97.10152	7.5
99.04448	3.3
99.08066	2.8
105.04514	1.5
105.07024	32.0
107.04957	11.0
107.07887	2.7
107.08589	45.1
109.02879	2.7
109.06516	6.3
109.10150	28.9
111.04414	3.8
111.08085	8.1
113.09617	1.8
115.05424	2.8
117.07006	14.7
119.08583	17.5
121.06499	5.6
121.10139	17.4
123.04305	1.6
123.08046	8.6
123.11711	7.9
124.99992	3.0
125.09599	8.9
127.03883	4.8
128.44083	1.1
129.05489	8.1
129.06940	7.2
130.07817	1.6
131.08559	23.8
133.06462	2.6
133.10129	27.7
135.08034	5.1
135.11687	21.5
137.09610	8.3
141.07022	1.8
142.07791	2.6
143.08548	3.5
145.04967	1.4
145.10120	9.1
147.08015	3.3
147.11707	11.2
148.53250	1.3
149.09595	14.7
149.13242	18.9
151.11115	6.0
153.09113	2.6
155.08537	1.4
155.21555	1.3
157.10101	3.8
159.11688	14.4
161.09593	3.1
161.13255	3.9
163.11157	5.2
165.12749	2.9
171.11642	3.2
173.04491	2.2
173.09569	1.1
173.11745	7.2
173.13033	1.5
175.11159	2.9
177.12752	5.5
179.14301	4.7
181.12292	2.7
183.11711	1.4
184.07339	9.1
184.13263	1.5
187.13300	1.8
189.11203	2.8
193.12140	3.1
195.13802	16.4
199.13289	3.4
209.94182	1.3
211.13223	2.5
213.14905	3.8
227.12701	4.7
229.14377	7.3
239.16312	2.5
243.08562	1.5
243.15930	5.5
251.16353	1.3
253.14340	4.8
253.56409	1.2
255.15799	7.6
257.19061	2.5
259.20526	3.7
267.15906	5.1
269.17477	51.2
270.18109	1.5
273.18497	4.4
275.19992	7.4
277.21591	2.5
283.15442	2.3
285.17029	6.0
291.19443	8.7
291.22708	2.5
301.16241	1.9
303.08411	1.3
331.22552	1.8
333.24265	1.6
347.22485	1.5
349.23767	9.2
351.25146	2.0
355.17700	1.7
365.23126	3.3
365.27127	2.4
369.31555	1.4
373.18604	4.1
383.28012	1.8
411.27567	1.4
420.28635	1.9
423.27380	26.4
427.28137	1.5
437.28967	8.6
449.28610	4.4
461.28656	4.2
463.30542	1.9
465.29001	1.5
479.29767	3.9
527.10266	1.3
543.36774	12.3
559.35999	3.8
567.31171	1.6
577.36920	6.1
774.42004	4.7
775.42645	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	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43893	0.4
55.01794	1.5
55.02035	0.6
55.05423	9.1
55.05720	1.7
57.03347	4.9
57.03651	1.0
57.06982	2.4
57.35638	0.5
61.02832	13.1
61.03175	1.9
65.03858	1.0
67.05408	18.7
67.05810	2.6
69.03329	5.9
69.03725	0.8
69.06970	10.2
69.07370	1.4
71.01293	0.6
71.04896	1.5
71.08552	1.1
73.02812	6.2
79.05386	13.2
79.05879	1.1
81.03310	6.3
81.03819	0.6
81.06946	19.1
81.07463	1.9
83.04881	2.2
83.08511	6.8
83.09054	1.2
85.02793	11.7
85.03347	0.8
85.06421	1.7
86.09604	1.6
91.03837	5.7
91.05365	12.8
93.06925	16.6
93.07558	1.2
95.04855	3.0
95.08486	16.8
95.09150	1.1
96.25293	0.5
97.02776	9.5
97.03450	0.8
97.06420	1.8
97.10058	3.3
99.04389	1.2
99.08025	0.8
101.02250	2.4
101.02834	0.6
103.05402	0.7
105.07021	13.3
107.04852	1.3
107.08587	11.0
107.09232	0.8
109.02767	1.8
109.06380	1.7
109.10149	7.2
111.07970	1.0
115.03848	0.7
115.05320	1.1
117.06999	7.5
119.08570	11.4
121.10136	8.0
123.07956	1.1
123.11581	2.2
124.99942	0.9
125.09491	0.7
127.03905	2.4
128.06094	1.9
129.06987	7.3
130.07619	0.6
131.08559	11.7
133.10109	8.8
135.07961	0.8
135.11700	3.8
137.09483	1.0
141.06976	3.0
142.07632	1.9
143.08546	11.2
145.04808	0.8
145.06416	0.8
145.10106	13.0
145.11839	0.5
147.08057	0.6
147.11682	4.9
149.09497	0.7
149.13109	2.1
153.06891	0.7
154.07613	0.9
155.08537	5.8
156.09332	0.7
157.10126	10.5
159.07881	0.7
159.11676	7.8
161.09575	0.6
161.13242	3.5
163.11153	0.7
163.14668	2.1
165.06892	1.0
165.12596	0.6
165.16287	0.8
167.08423	2.2
169.10117	8.0
170.10670	0.8
171.11659	8.3
173.09474	0.6
173.13222	5.4
175.11009	0.7
175.14688	1.8
177.12637	0.8
177.16287	1.0
179.08421	1.1
181.04912	0.6
181.10144	3.2
182.10788	0.9
183.11693	5.9
184.07323	5.7
185.07629	0.6
185.13219	6.3
187.14790	2.6
189.16295	1.3
193.10039	0.8
193.12157	1.1
195.11664	3.6
197.13263	5.0
199.14796	4.8
201.16235	2.3
203.17911	0.7
207.11551	1.4
209.13228	3.5
211.13187	0.5
211.14792	4.0
213.16408	3.0
215.14278	0.5
215.17805	1.7
221.13139	1.6
223.14685	2.2
225.16385	2.6
227.17825	2.2
229.19421	1.2
233.13145	0.7
235.14722	1.3
237.16216	1.9
239.17825	1.7
241.19405	1.5
243.17389	0.6
243.20822	0.6
251.17822	1.0
253.19279	1.7
255.20955	1.4
257.18887	0.7
259.20459	0.6
261.22137	1.0
263.17938	0.7
265.19336	0.9
267.15771	3.1
267.20975	0.9
269.22559	0.8
281.19299	0.7
281.22635	1.0
283.20361	0.6
283.23990	0.6
293.22595	0.6
295.23965	0.6
297.22058	1.2
301.25000	0.6
307.24020	0.7
309.22037	0.5
311.23544	0.9
315.22971	0.6
325.25317	0.9
335.25851	3.0
337.24786	1.0
339.23160	0.7
339.26898	0.7
353.28287	1.2
363.26532	0.6
367.29883	1.1
381.31454	1.1
395.33395	0.7
409.30502	0.8
421.34894	0.6
449.34070	0.5
453.33249	0.6
463.35571	0.6
479.48230	0.6
501.41266	1.1
515.37140	0.7
517.38940	0.8
519.41980	4.7
527.36871	3.2
529.39209	0.6
537.43231	3.0
541.38892	1.2
545.38306	1.3
555.41467	0.7
575.44934	0.9
593.45514	7.6
609.44836	1.7
611.46631	100.0
612.46796	3.7
621.63696	0.6
623.46338	1.2
635.46735	0.9
650.47479	0.7
653.47473	1.1
677.48749	0.6
695.49951	0.5
719.48944	1.2
737.50153	1.6
755.51147	2.1
773.51892	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
55.05516	19.7
57.03424	8.5
57.07080	3.2
61.02917	11.9
65.03936	2.9
67.05502	58.6
69.03422	9.9
69.07073	19.0
69.53620	14.6
71.04993	5.2
73.02906	8.1
79.05489	49.9
81.03407	11.2
81.07049	65.9
83.08603	13.0
83.10151	2.5
85.02874	12.2
86.09704	3.9
91.03964	7.4
91.05472	48.7
93.07037	55.1
95.04948	10.2
95.08600	47.8
97.02882	16.0
97.06503	6.2
103.03923	3.5
103.05436	3.7
105.04487	2.7
105.07018	46.0
107.04917	4.2
107.08580	33.1
109.06459	3.3
109.10150	21.2
111.08054	3.7
113.73382	2.6
117.07008	21.5
119.08572	39.3
121.10117	24.3
123.11710	4.1
125.09596	4.6
127.03937	2.6
129.06998	13.1
131.08556	24.2
133.10118	37.2
135.04469	2.3
135.11664	19.9
137.13211	3.9
141.06967	3.9
142.07738	2.5
143.08566	17.9
145.10109	25.5
147.08014	4.1
147.11667	26.5
149.09561	2.9
149.13249	9.4
155.08560	5.0
157.10094	15.2
159.11696	22.6
161.13255	17.1
163.14835	5.1
169.10123	7.7
171.11642	12.3
173.13225	17.3
175.14816	8.8
181.05019	2.7
181.10019	5.1
183.11676	10.8
184.07361	6.3
185.13235	11.2
187.14803	9.8
195.11591	4.0
197.09645	2.6
197.13329	7.7
199.14838	7.8
211.14902	4.5
213.16469	3.8
224.64595	2.5
225.16304	4.5
227.17979	2.6
229.19406	2.9
241.19490	16.6
243.21144	3.4
257.18970	5.5
259.20578	29.6
261.22205	3.8
275.19940	3.6
277.21542	3.0
291.23135	2.7
315.23282	2.8
333.24213	24.0
335.25812	40.3
403.24869	3.3
519.42120	4.0
537.42731	3.3
541.38617	3.1
593.45435	8.9
609.45099	6.8
611.46600	100.0
612.46765	3.2
623.46686	2.9
719.48669	4.1
737.49811	4.5
755.50342	4.2
773.50739	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	773.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.5
55.05435	8.4
55.05725	1.2
56.08130	0.4
57.03354	4.0
57.06998	2.3
59.04903	0.4
61.02846	13.0
61.03195	1.6
65.03877	0.8
67.05420	17.1
67.05819	1.7
69.03343	7.2
69.06981	8.8
69.07387	0.9
69.19493	0.9
69.19904	3.5
71.01263	1.0
71.04909	1.5
71.08543	1.1
73.02829	8.1
73.03262	0.7
79.05399	10.3
81.03325	3.7
81.06962	17.7
81.07471	1.4
83.04879	1.1
83.08521	4.8
85.02808	11.2
85.06469	0.8
85.10104	0.4
86.09641	0.9
91.03951	6.6
91.05470	11.1
93.07037	12.5
93.07569	0.7
94.13905	0.4
95.04961	2.1
95.08595	13.4
96.82395	0.4
97.02882	10.2
97.03452	0.4
97.06512	1.9
97.10152	3.1
99.04362	1.7
99.08022	0.4
100.63495	0.4
101.02367	2.2
103.05402	0.6
105.07023	11.9
107.08576	7.2
109.02779	1.6
109.06428	0.5
109.10144	7.1
111.04380	0.4
111.08032	1.0
111.11613	0.6
115.03834	0.9
115.05353	1.0
115.07436	0.4
116.06055	0.4
117.07008	6.9
119.08572	9.5
121.06406	0.5
121.10145	5.8
123.07977	1.1
123.11694	2.1
124.99883	0.7
125.09560	1.0
127.03896	2.0
128.06099	1.6
129.06995	6.9
130.07671	0.4
131.08560	12.5
131.50226	0.5
133.10115	6.7
135.07976	0.5
135.11673	3.4
137.13161	0.7
139.11067	0.5
141.06999	2.4
142.07666	1.5
143.08545	9.9
144.09233	0.6
145.04849	0.5
145.10101	10.7
147.11697	4.1
149.09535	0.6
149.13293	2.2
155.08525	6.1
156.09225	1.1
157.10118	8.9
159.08014	0.4
159.11684	7.3
161.09575	0.4
161.13252	3.3
163.11111	0.5
163.14709	0.9
165.06969	0.6
167.08629	2.1
168.09340	0.6
169.10110	7.9
170.10760	0.6
171.10298	0.7
171.11653	6.9
173.13260	4.6
175.11026	0.4
175.14803	1.9
177.12662	0.4
177.16309	1.0
179.08432	1.0
179.17798	0.4
181.04842	0.5
181.10127	3.0
182.10823	0.4
183.10336	0.5
183.11690	5.7
184.07332	2.5
185.09386	0.6
185.13260	5.9
187.14845	3.2
189.16206	1.3
191.17899	0.4
193.09961	1.1
195.11681	3.3
197.13246	5.7
199.13245	0.6
199.14786	4.6
201.16447	2.1
203.17891	0.6
205.19308	0.6
207.11620	0.7
209.13197	2.4
211.14774	3.2
213.16434	2.4
215.17828	1.7
217.15765	0.5
217.19485	0.5
219.11604	0.6
221.13144	1.4
223.14874	2.3
225.16438	2.7
227.18092	2.7
229.19398	1.4
231.21033	0.5
233.13167	0.6
234.14012	0.5
235.14755	0.5
237.16310	1.8
239.17990	2.7
241.19676	2.0
243.20958	0.8
247.14865	0.5
249.16350	0.8
251.17955	0.7
253.19376	1.2
255.20930	0.9
257.18863	0.7
257.22409	0.4
259.20459	0.7
263.18021	0.5
265.19440	0.7
267.17328	0.5
267.20892	1.3
269.22495	1.1
273.22083	0.5
279.21164	0.4
281.19049	0.4
281.22354	0.6
285.18655	0.5
285.22098	0.5
293.22318	0.7
297.21790	0.4
309.22031	0.4
313.21216	0.6
323.23569	0.6
325.25150	0.9
327.26904	0.5
335.23450	0.6
337.25235	0.7
339.22952	0.6
339.26700	0.5
341.24832	0.8
351.26843	0.5
353.28406	1.3
365.28308	0.4
367.30032	0.7
369.27429	0.5
381.31708	0.8
413.30301	0.4
421.30670	0.4
437.34171	0.7
449.34085	1.4
501.40964	1.2
515.37201	0.6
517.39343	0.9
519.42004	4.8
523.37830	0.7
527.37427	0.6
529.38885	1.0
537.43188	2.6
541.39014	1.4
555.42261	0.5
557.43304	0.5
575.45117	0.6
593.45538	6.5
601.57977	0.5
609.45215	1.9
611.46649	100.0
612.46997	3.7
623.46948	1.0
635.46570	0.6
653.47626	0.9
705.47058	0.5
719.48810	0.6
737.50122	0.7
755.50873	1.5
773.51904	16.3
774.52100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.9
55.05509	25.5
57.03436	14.2
57.07076	5.6
61.02930	19.1
67.05503	79.9
69.03419	10.6
69.07060	26.5
69.39452	25.5
71.04984	4.2
73.02900	9.0
75.88351	2.9
77.03897	3.3
79.05488	57.7
81.03413	8.5
81.07050	83.4
83.04969	5.1
83.08624	15.9
85.02898	20.7
85.06513	5.5
86.09679	10.6
91.03938	10.0
91.05478	52.8
93.07036	73.4
95.04936	10.2
95.08598	62.2
97.02886	13.5
97.06509	6.7
97.10164	5.8
98.21543	6.2
101.02357	3.8
105.07024	59.0
107.08602	32.5
109.06497	4.2
109.10143	26.6
111.08100	3.7
117.07014	26.5
119.08574	49.8
119.69674	3.0
121.06514	4.1
121.10125	33.2
123.11671	5.6
124.99986	8.4
127.03908	4.5
129.05501	3.2
129.06999	16.8
131.08548	39.1
133.10126	39.7
135.08069	4.0
135.11711	20.4
137.13185	4.2
141.07019	5.5
142.07823	4.1
143.08563	20.3
145.10124	38.6
147.11699	32.1
149.09625	3.1
149.13275	13.8
155.08560	8.4
157.10107	17.6
158.70215	2.8
159.11700	30.5
161.13269	20.5
163.14784	2.8
167.08624	4.0
169.10126	9.0
171.11693	17.7
173.13208	17.7
175.14841	10.6
183.11697	9.1
184.07326	24.2
185.13277	16.6
187.14792	7.4
189.16289	3.5
190.74370	2.7
197.13281	8.0
199.14830	10.0
201.16359	4.6
205.16003	3.1
209.13129	3.2
211.14905	5.2
211.53870	3.3
213.16333	6.1
221.13037	3.8
225.16269	3.8
229.19350	3.4
239.17781	3.4
241.19531	13.7
246.50441	2.9
257.19025	7.8
259.20563	42.3
261.22101	5.6
283.20554	3.1
300.51938	2.9
313.21555	4.1
333.24176	26.0
335.25797	49.6
339.26471	3.1
367.22470	3.7
419.04480	2.9
519.41779	7.8
558.74634	3.3
593.45709	6.2
609.45325	6.6
611.46649	100.0
612.46735	7.3
737.48828	6.6
773.51697	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	773.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03436	0.9
67.53900	0.7
69.03419	2.9
69.78645	3.4
81.03406	0.9
85.02901	7.6
97.02881	1.6
102.03551	0.7
103.03997	0.8
109.02867	0.7
110.27411	0.7
114.00919	0.7
114.49286	0.6
114.55209	0.7
118.06539	9.6
127.03935	1.1
130.06557	4.1
132.08110	4.8
139.03905	0.9
142.06538	1.5
143.07280	3.8
144.08093	12.9
145.07541	1.4
146.06004	44.7
156.08095	7.5
158.06042	0.8
158.09634	0.9
159.09180	2.7
160.07536	3.8
163.03940	0.7
167.07262	0.7
168.08083	2.5
170.06000	4.9
172.07587	1.1
172.40205	0.8
183.09235	0.9
184.07533	3.4
186.09175	1.6
188.07062	100.0
189.07431	2.1
201.10193	0.8
202.08675	3.2
205.09723	57.5
206.09975	0.7
212.07059	1.3
229.09724	1.6
230.08119	29.7
231.08481	1.1
247.10770	13.0
258.11301	2.1
276.12210	1.4
303.01398	0.8
331.12988	3.2
332.11224	3.0
349.13889	4.2
350.12320	10.9
367.14987	28.1
368.15466	1.2
389.99084	0.7
428.28247	0.7
510.67569	0.8
538.46460	0.8
721.26062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
55.05510	26.0
57.03438	9.6
57.07077	2.1
61.02903	2.8
65.03947	4.5
67.05503	67.8
68.05835	1.7
69.03420	7.6
69.07066	25.3
71.04981	5.3
71.08621	17.3
71.52625	2.0
73.02924	1.6
79.05486	81.8
81.03415	18.2
81.07048	70.3
83.04969	19.4
83.08612	14.7
85.02885	4.7
85.06528	4.4
86.09715	5.8
91.04907	3.1
91.05477	59.6
93.07037	84.5
94.07349	2.0
95.04969	25.2
95.07995	2.0
95.08598	34.3
97.02888	4.0
97.06518	9.9
97.10156	7.6
99.08081	11.5
103.05434	1.6
105.04517	2.5
105.07030	41.6
105.07709	3.1
107.04936	9.8
107.08588	31.2
109.02890	3.6
109.06509	9.0
109.10159	11.6
111.04434	4.3
111.08081	6.3
117.06995	15.9
117.52995	1.5
119.08569	30.1
121.06503	5.3
121.10143	13.5
121.41730	1.3
123.08067	5.8
123.11680	2.1
125.00005	4.6
125.05943	1.7
125.09622	5.6
127.03916	2.5
127.07598	1.7
128.06229	3.0
129.06985	18.0
131.08571	11.8
133.06503	2.1
133.10124	17.2
135.08041	4.4
135.11707	11.0
137.09595	3.0
139.11171	1.7
142.07785	2.5
143.08562	9.8
145.10101	16.7
147.08098	3.6
147.11664	28.2
149.09660	4.0
149.13248	7.6
151.11143	17.7
155.08504	2.2
157.10109	2.8
159.11687	8.3
161.09631	4.4
161.13255	12.8
163.11177	11.3
165.12843	2.0
169.10182	2.3
171.11661	19.5
173.04448	1.6
173.09598	1.9
173.11688	1.6
173.13130	2.1
175.11125	2.2
175.14801	2.8
177.12817	2.1
179.14297	6.1
181.10277	1.6
181.12166	2.3
183.11668	1.7
184.07332	22.7
184.08812	2.2
185.13173	2.0
189.11235	2.5
189.12770	10.0
191.10542	2.0
195.13766	4.0
207.13766	20.7
211.13431	1.7
225.14861	2.8
227.12801	9.9
229.14417	1.9
241.19521	3.1
259.20584	5.8
269.17484	16.5
270.17859	1.5
275.19995	4.9
277.21576	16.9
281.17462	53.2
282.17908	2.1
283.15363	4.9
301.16391	1.7
333.24063	2.8
349.23770	3.8
351.25299	16.5
379.24597	2.8
413.21643	1.8
435.27533	2.2
451.26968	2.3
457.29575	1.7
459.30826	3.8
463.00174	1.6
475.30539	100.0
476.30869	6.4
543.36066	1.7
557.38367	40.5
575.35974	3.2
619.33948	3.1
677.16400	1.8
773.40094	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.1
55.05507	28.4
57.03437	12.1
57.07080	1.2
59.04993	1.3
61.02904	2.2
65.03924	2.7
67.05502	37.3
69.03424	10.6
69.07065	26.2
69.62517	3.8
69.62941	2.8
71.04984	4.5
73.02905	1.0
73.82132	0.9
77.03854	1.2
79.05492	37.9
81.02937	2.5
81.03411	36.6
81.07053	41.3
83.01340	3.0
83.04976	14.4
83.08614	20.8
85.02903	15.2
85.06525	2.8
86.41344	1.0
91.03960	1.1
91.05479	31.7
93.07039	30.3
93.07626	0.9
95.01302	1.0
95.04961	22.2
95.08602	16.2
97.02877	10.4
97.06524	7.2
97.10159	12.3
99.08094	1.5
105.07022	27.6
107.04963	12.5
107.08598	20.0
109.02840	1.5
109.06502	6.9
109.10149	9.1
111.04424	2.3
111.08083	8.3
113.05999	1.7
115.05441	2.1
117.07001	9.7
119.04834	1.5
119.08575	22.0
119.09370	1.5
121.06497	5.6
121.10137	10.7
123.08054	7.4
123.11758	2.3
124.99998	1.0
125.05972	1.1
125.09641	10.3
128.06186	1.4
129.07018	7.9
131.08566	16.2
133.05420	1.1
133.06496	4.2
133.10117	14.2
134.55743	1.0
135.08078	5.6
135.11684	7.9
137.09627	3.8
142.07767	2.3
143.08582	4.1
145.10115	12.9
147.08049	6.1
147.11693	14.1
149.09584	8.0
149.13246	3.2
151.11189	2.1
151.72452	1.0
153.09172	1.4
153.12808	1.4
155.08528	1.9
157.10095	9.0
159.11711	5.4
161.09615	2.8
161.13216	1.3
163.11194	9.6
164.78752	1.2
165.12714	2.6
169.10059	1.6
169.12218	1.0
171.11687	1.7
173.04439	1.2
173.09531	1.9
173.13370	1.2
175.11189	10.5
177.12762	2.9
181.12247	1.6
184.07487	1.0
185.13281	1.5
189.11206	7.1
193.12234	30.3
195.13821	1.8
201.12740	1.3
205.12204	2.3
209.11763	2.3
211.13289	51.6
219.13828	1.4
223.13272	15.0
227.12767	13.3
229.19638	1.1
245.19038	2.1
249.14900	3.9
253.14291	2.3
255.15811	2.1
257.19009	2.8
257.22882	1.1
263.20120	1.1
267.15909	31.7
269.17429	4.8
273.18497	13.4
275.20044	9.7
283.15366	26.9
285.16959	45.2
286.17096	1.4
291.19528	100.0
292.19904	3.0
309.20670	1.4
347.22086	3.5
349.23837	9.8
365.23224	51.2
366.23486	1.7
437.25116	2.5
445.26129	1.5
459.27542	2.5
463.26968	8.8
465.29703	1.0
477.28455	29.4
495.29291	2.0
539.33508	4.0
557.34723	46.4
558.35022	2.9
575.35748	59.4
576.35852	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	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	17.9
55.05508	48.7
57.03198	2.5
57.03438	25.2
57.07064	3.2
59.04984	4.2
61.02926	12.4
62.86534	1.7
65.03939	4.5
67.05502	74.3
69.03414	12.8
69.07064	30.0
69.24310	19.2
71.01328	3.4
71.04984	9.2
71.08627	2.2
73.02905	5.8
79.05486	85.1
81.03413	33.6
81.07053	80.8
81.07536	4.3
81.94022	1.8
83.01346	15.1
83.04975	26.7
83.08613	24.8
85.02897	17.1
85.06541	4.2
86.09705	6.5
91.03944	2.2
91.04908	4.2
91.05475	84.1
93.07040	87.8
94.56731	1.7
95.04961	25.1
95.08599	40.9
97.02883	16.7
97.06543	15.3
97.10161	8.0
98.09669	2.1
99.04440	6.5
99.08100	6.2
99.35242	1.8
100.70327	2.1
103.05495	3.4
105.04483	2.9
105.07027	80.9
107.04948	19.5
107.08591	51.5
109.02885	2.3
109.06531	14.1
109.10155	16.4
109.52733	1.8
111.04436	7.0
111.08063	6.8
115.05441	3.6
116.24007	1.7
117.07012	32.3
119.08573	63.9
121.06548	9.6
121.10136	29.4
123.08063	17.2
123.11691	5.0
124.99948	2.9
125.05962	3.9
125.09628	6.8
127.03923	7.2
128.06227	4.6
129.05493	4.1
129.06978	13.0
130.07791	4.0
131.08559	31.6
133.06488	2.3
133.10123	36.5
135.08044	6.7
135.11681	33.6
137.09618	6.8
141.06950	2.9
142.07753	2.8
143.08559	11.7
145.04953	2.4
145.06439	2.8
145.10124	41.2
146.54138	2.1
147.08099	4.6
147.11679	28.3
149.09644	9.5
149.13235	14.3
151.11220	3.4
153.12733	4.1
155.08537	5.6
157.10100	8.0
159.11716	19.7
161.09641	1.9
161.13249	17.2
163.11177	50.7
165.12750	2.3
166.28658	1.8
169.10226	1.9
171.11667	10.4
172.12469	2.2
173.09619	5.3
173.13220	6.2
175.14816	5.6
177.12740	4.8
179.14290	2.4
181.12221	7.7
183.11749	3.5
184.07314	19.6
185.13292	7.7
187.14830	2.9
189.11217	2.8
189.12695	3.1
191.10687	5.2
195.12241	2.2
195.13824	8.1
199.14810	3.3
209.11717	14.1
213.16428	2.4
215.17781	2.6
217.15883	3.0
227.12740	16.0
241.19536	13.4
247.20627	1.8
253.14345	3.7
257.18976	7.8
259.20572	39.8
266.84277	2.2
267.15884	3.1
269.17499	13.2
275.20044	19.1
283.15381	100.0
291.19595	2.7
293.21014	5.8
297.22089	3.8
315.23230	3.1
331.22723	2.0
333.24298	28.7
349.23734	11.8
419.32147	2.0
449.30240	4.2
467.31711	2.8
477.28436	48.9
489.28320	4.1
523.34039	4.5
541.35352	33.8
542.35205	2.7
557.34680	5.2
559.35962	9.1
575.35345	5.9
772.38934	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	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.5
55.05507	19.1
55.79882	0.8
57.03428	9.3
57.07068	1.0
61.02928	1.6
63.08460	0.9
65.03940	2.5
67.05500	57.0
69.03429	5.7
69.07065	17.6
70.85655	2.3
71.04987	5.9
71.07328	1.0
73.06516	1.3
76.91740	0.9
77.65371	0.9
79.05486	40.6
81.03414	42.8
81.07048	55.3
83.04974	15.7
83.08157	1.3
83.08613	16.2
85.02898	13.3
85.06535	4.8
86.09685	4.9
91.05476	58.9
93.07034	37.8
95.04959	21.3
95.08596	21.4
97.02869	3.3
97.06519	7.1
97.10158	5.1
97.65290	0.9
99.04442	2.2
99.08079	1.9
101.06010	1.1
105.07021	49.8
107.04948	11.2
107.08587	27.8
109.02910	1.5
109.06498	8.5
109.10148	40.0
111.04440	2.9
111.08076	7.9
113.05993	2.9
115.05477	1.7
116.20433	1.2
117.07006	8.4
119.08569	18.7
121.06500	6.9
121.10130	11.6
123.08032	5.8
123.11697	8.5
124.99989	2.2
125.09611	3.7
126.37212	0.9
127.07563	2.3
128.06200	1.9
129.07004	9.0
131.08546	16.4
133.06488	5.8
133.10118	59.3
135.08076	6.6
135.11700	4.8
137.09605	3.8
139.07497	1.4
142.07756	2.1
143.08539	4.7
145.06500	1.3
145.10110	8.0
147.08049	4.9
147.11670	10.4
149.09616	7.4
149.13335	1.3
151.11166	25.4
155.08595	1.5
157.10098	12.5
159.11647	3.4
161.09602	7.0
161.13278	1.8
163.11200	3.2
165.12732	1.7
169.10071	1.5
169.12234	5.7
171.11699	3.5
173.09679	1.7
173.13364	1.5
175.11191	11.0
177.09082	2.0
179.10706	2.0
181.10260	1.0
181.12320	1.1
184.07330	18.7
185.13274	2.1
187.11169	1.2
189.11215	1.4
189.12769	1.5
193.12221	24.8
195.11743	1.2
205.12343	1.4
211.13271	39.0
213.12753	1.1
213.16290	1.1
215.12833	3.0
223.13341	1.1
237.16307	1.2
245.18980	5.3
251.12807	1.6
253.14331	100.0
254.14586	1.3
263.20129	3.3
267.15872	10.9
271.15491	1.4
273.18466	24.9
275.20273	1.0
285.16946	25.6
287.20053	1.1
291.19537	22.7
309.20676	1.3
347.22067	7.2
365.23224	23.3
429.16245	1.1
445.25800	2.5
463.26816	13.0
464.27698	1.3
477.28357	1.5
481.27917	7.6
483.29617	1.1
495.56607	1.1
525.35547	2.6
539.33545	3.2
543.37079	5.4
557.34515	15.7
558.35565	1.1
575.35742	39.1
576.36096	1.4
773.39868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.5
55.05510	34.1
57.03436	20.6
57.07063	3.6
59.05003	2.7
60.08148	1.3
61.02929	5.5
64.33608	1.0
65.03936	2.9
67.05505	73.7
68.97000	1.2
69.03423	12.2
69.07065	25.2
69.25344	9.1
69.25751	2.8
71.01337	1.7
71.04990	10.9
73.02921	1.9
77.03960	1.6
79.05018	2.1
79.05489	60.1
81.03418	37.9
81.07054	84.6
83.01329	8.8
83.04978	22.9
83.08620	28.0
83.49735	1.1
85.02904	14.3
85.06526	4.9
85.83128	1.1
86.09700	8.1
91.03970	1.2
91.04902	2.2
91.05479	59.2
93.07043	64.3
93.07639	3.1
93.45417	1.2
95.04967	22.8
95.08605	28.3
97.02879	9.1
97.06531	16.2
97.10181	8.7
99.04440	4.8
99.08084	3.9
103.05421	2.0
104.10749	1.6
105.04475	1.9
105.07027	48.6
107.04944	17.4
107.08591	44.8
109.02821	1.5
109.06516	13.5
109.09407	1.3
109.10148	24.7
111.04424	4.8
111.08092	9.2
113.05978	1.8
113.09637	1.2
115.05451	2.2
117.07013	20.3
119.04896	1.3
119.08574	31.5
120.29110	1.0
121.06506	9.9
121.10147	21.4
123.08071	12.2
123.11678	4.8
125.00043	5.7
125.05978	2.8
125.09623	4.0
127.03878	2.5
127.07558	2.2
128.06174	2.2
129.05479	2.5
129.07005	9.1
130.07762	1.9
131.04901	1.1
131.08556	23.6
133.06462	4.0
133.09132	1.9
133.10127	37.9
135.08044	7.4
135.11676	20.7
137.09589	5.0
139.07491	1.2
141.06981	2.8
142.07790	2.7
143.08516	5.7
145.06444	1.9
145.10123	25.6
147.08023	4.5
147.11688	14.7
149.09641	13.6
149.13249	11.0
151.11177	11.8
153.12682	1.7
155.08543	3.9
157.10135	9.7
159.08040	2.0
159.11673	11.2
161.09647	4.1
161.13191	3.4
163.11174	26.7
165.12746	1.9
167.03702	1.2
169.10056	2.4
169.12206	2.6
171.11659	3.2
173.04375	1.4
173.09625	3.4
173.13297	4.5
175.11208	5.3
177.12717	3.7
179.14326	1.5
181.12224	3.9
183.11647	1.7
184.05801	2.1
184.07333	27.7
187.11214	1.4
187.14787	1.5
189.11165	2.2
191.10674	4.0
193.12256	13.9
195.13728	5.6
197.13292	1.1
201.16283	1.4
209.11644	6.5
211.13274	22.4
227.12746	9.1
229.19611	1.4
239.18018	1.6
245.18874	2.3
253.14345	20.3
254.14572	1.3
255.15784	9.0
257.18961	3.3
265.14340	2.6
267.15945	10.5
269.17474	31.2
271.15256	1.7
273.18500	13.2
275.20071	18.9
283.15396	70.0
284.15805	2.7
285.16968	20.5
287.19638	1.4
291.19482	12.5
293.21069	1.7
309.20538	2.4
347.22067	3.6
349.23660	12.0
365.23264	12.0
367.24634	2.1
413.21436	1.6
445.25967	2.1
459.27652	1.5
463.26840	27.1
474.88831	1.3
477.28461	100.0
478.28925	5.6
481.27850	6.1
517.31372	1.7
539.33441	3.4
557.34784	24.7
575.35760	24.8
621.32574	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	772.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.9
55.05506	38.3
57.03434	25.2
57.07055	2.9
59.04996	32.9
65.03931	5.1
67.05502	91.1
69.03421	9.7
69.07063	14.0
69.46308	13.5
71.01337	2.4
71.04990	23.0
73.02914	2.8
79.05490	50.2
81.03414	100.0
81.06594	4.2
81.07052	57.9
82.07398	2.1
83.04968	19.6
83.08617	33.3
85.02921	11.1
85.06533	6.3
86.09702	5.5
86.40353	2.0
87.04459	25.6
88.32618	2.1
91.05478	50.1
93.06490	3.3
93.07040	40.8
95.04967	47.8
95.08607	28.3
97.02886	9.9
97.06548	12.1
97.10164	23.2
98.20720	3.2
99.04446	14.1
99.08081	2.6
103.05481	2.9
105.07027	38.6
107.04946	25.1
107.08588	31.4
108.08911	2.2
109.02849	6.1
109.06499	13.1
109.10153	58.9
111.04440	9.3
111.08102	10.9
115.03896	2.2
115.05475	4.0
117.06989	13.8
119.04907	5.2
119.08571	32.9
121.02872	4.6
121.06511	10.7
121.10140	24.2
123.04440	12.3
123.08027	6.2
123.11696	3.3
125.09637	17.4
127.03875	3.4
129.06975	20.1
131.04916	3.8
131.08568	22.4
133.06454	4.6
133.10117	20.9
135.04395	9.2
135.08015	5.9
135.11682	11.4
137.05956	8.4
137.09584	6.9
139.03818	3.6
142.07718	2.7
143.08557	6.6
145.06476	5.9
145.10100	11.9
147.04407	9.3
147.08029	9.9
147.11679	21.1
149.09599	25.5
151.11218	3.1
153.09108	5.9
153.12724	10.6
155.06943	2.3
155.08572	4.3
157.10135	19.1
159.08031	3.5
159.11740	2.9
161.05937	6.2
161.09557	3.3
163.11191	17.7
165.09084	3.1
165.12737	6.9
169.10149	2.7
171.11639	4.4
173.05885	3.6
173.09540	4.1
173.11781	12.7
173.13147	3.6
175.07526	5.0
175.11136	15.2
177.05450	4.2
181.04868	4.4
181.12230	8.8
183.11693	2.7
184.07297	13.8
185.13220	7.7
187.11209	3.6
187.14760	2.6
189.09357	2.4
189.11214	10.8
189.12685	2.8
191.10616	10.3
193.12230	57.2
193.13902	4.1
199.07547	2.8
199.13274	9.8
203.14296	3.9
205.12300	3.0
209.11673	14.1
211.11328	2.1
211.13257	46.8
211.15242	2.9
213.12819	2.8
223.13268	4.9
225.14816	12.3
227.12697	18.9
229.12157	4.0
229.14336	45.6
231.13751	4.7
235.13295	6.3
241.14464	3.7
247.13319	8.5
249.14810	21.1
267.15918	61.0
271.13901	2.9
273.14691	3.6
283.15356	18.2
285.07657	4.5
295.15552	3.5
315.18137	5.1
316.18491	2.3
321.16983	2.8
337.21649	6.0
355.22772	11.0
365.20877	11.2
373.23651	7.6
383.22107	28.7
384.78906	2.5
401.23169	25.9
409.25555	2.7
415.24905	5.0
421.25854	34.6
433.25922	7.1
447.27551	3.9
453.28543	2.7
457.25604	7.3
475.26965	27.3
477.28061	2.7
489.28262	3.4
493.27783	6.3
507.29678	20.4
525.30347	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	2.1
55.05453	12.0
56.05811	0.5
57.03379	4.8
57.07021	1.8
61.02864	16.9
61.03207	1.6
65.03883	1.7
67.05441	23.9
69.03426	8.6
69.07066	9.5
71.01301	0.9
71.01637	0.5
71.04926	2.2
71.08570	0.7
73.02919	8.7
77.03880	0.7
79.05489	17.3
81.03409	4.6
81.07053	22.2
81.07494	0.8
83.01296	0.7
83.04987	2.6
83.08609	6.2
85.02903	15.2
85.06480	1.4
86.09643	0.6
87.04406	1.1
91.03953	7.2
91.05475	14.1
93.07047	19.1
93.07610	0.8
94.07333	0.9
95.04957	4.2
95.08603	20.5
97.02890	10.3
97.06462	2.1
97.10157	3.0
98.21619	1.2
99.04382	2.0
99.08071	0.9
101.02372	2.9
103.03875	0.6
103.05407	0.7
105.07028	14.7
106.07321	0.6
107.04870	1.5
107.08590	10.1
109.02803	1.9
109.06441	2.2
109.10152	8.9
111.08012	2.0
113.09669	0.6
115.03914	0.9
115.05462	1.1
117.06274	0.7
117.07006	8.2
119.08571	13.2
120.73257	0.5
121.06421	0.6
121.10139	8.2
123.08002	1.2
123.11648	1.6
124.99913	0.5
125.09566	1.2
127.03931	3.4
127.07465	0.5
128.06142	2.5
129.07007	10.3
130.07713	0.5
131.08560	11.1
131.10622	0.6
133.06445	1.0
133.10121	10.2
135.07979	1.6
135.11668	4.1
137.13162	0.7
139.11107	1.1
141.06967	5.3
141.10744	0.6
142.07779	2.7
143.08563	12.1
143.63293	0.5
144.09186	0.5
145.09088	0.7
145.10124	10.5
147.11699	6.2
149.09550	0.8
149.13185	1.9
153.06912	1.5
154.07661	1.6
155.08565	9.6
156.09192	2.5
157.10127	12.8
158.10568	0.7
159.10481	0.8
159.11682	9.7
159.22246	0.5
161.13235	2.8
163.11070	0.9
163.14845	0.8
165.06929	2.0
166.07707	1.2
167.08548	6.4
168.09248	1.3
169.08812	0.8
169.10133	13.5
170.10681	1.8
171.10312	0.7
171.11674	10.1
172.12117	0.6
173.13283	5.7
175.14732	2.5
178.07788	0.6
179.08548	2.7
180.09328	1.0
181.10091	7.5
182.10767	1.0
183.11693	14.0
184.07263	2.2
184.12003	0.7
185.13269	9.2
186.13466	0.6
187.14857	3.9
189.16310	1.4
193.10172	2.6
194.10730	1.0
195.11668	7.9
196.12122	1.1
197.11548	0.7
197.13245	10.3
199.11258	0.6
199.13248	1.0
199.14816	5.6
201.16331	2.1
203.17950	1.0
205.10117	1.3
206.10715	0.9
207.11691	3.6
208.12253	0.6
209.13232	7.6
210.13879	0.7
211.14809	5.4
213.16382	3.7
215.17929	1.3
219.11565	1.7
220.12305	0.6
221.13269	4.0
223.14775	4.5
225.16438	4.7
227.17923	2.1
233.13165	1.9
234.14067	0.8
235.14803	2.7
237.16400	4.1
239.17989	2.8
241.19562	1.1
247.14905	0.8
249.16432	1.3
251.17926	2.1
253.19557	1.2
255.21307	0.7
263.17892	1.4
265.19507	1.5
267.17169	0.6
269.18890	0.7
273.16107	0.6
277.19250	0.5
279.21091	1.2
289.19199	0.6
293.22159	0.6
295.20523	0.8
297.22067	1.0
299.19888	0.8
309.22003	1.1
311.23743	1.0
321.22220	0.6
323.23715	1.1
337.25262	1.4
341.24652	0.8
349.25125	0.8
351.26874	1.0
363.26932	0.7
365.24338	1.0
365.28336	1.6
377.28604	1.1
379.25830	0.8
381.28189	0.7
391.29837	0.8
393.31522	1.5
395.29520	0.8
409.30930	0.8
421.30194	0.7
433.30017	0.6
464.78641	0.6
487.33862	0.8
501.35663	1.3
513.35718	0.9
515.37787	0.9
517.40436	8.4
527.37122	1.2
535.41766	3.1
539.37366	2.0
540.37476	0.7
541.38580	1.2
545.38348	0.8
553.39398	0.8
567.40723	0.7
573.43231	0.9
591.43872	7.0
592.44189	0.8
607.43231	2.4
609.45105	100.0
610.45392	11.7
612.47015	0.7
621.44531	1.6
651.46582	0.7
699.46442	0.9
717.47003	1.3
735.47577	1.6
753.48956	1.8
771.50330	21.2
772.50732	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18181	0.3
55.01777	1.1
55.05416	7.9
55.05719	2.0
57.03339	3.9
57.03643	0.8
57.06978	1.7
59.04921	0.4
61.02825	11.9
61.03175	2.5
62.62738	0.3
65.03840	1.0
66.25293	0.3
67.05397	18.6
67.05800	3.3
67.06006	0.7
69.03322	7.3
69.03743	1.2
69.06960	8.6
69.07383	1.5
69.53015	2.0
71.01249	1.1
71.04883	2.0
71.08552	0.5
73.02805	7.5
73.03253	1.0
75.04370	0.4
77.03855	0.5
79.05378	13.6
79.05891	1.6
81.03302	2.9
81.03809	0.5
81.06939	17.9
81.07471	2.0
82.07311	0.5
83.04852	1.4
83.08500	4.9
85.02785	12.1
85.03358	1.3
85.06452	0.9
86.09624	0.6
87.04411	0.4
91.03830	6.4
91.05360	11.6
91.05987	1.1
93.06918	14.3
93.07556	1.3
95.04853	2.3
95.08479	15.4
95.09154	1.4
97.02762	11.6
97.03443	0.9
97.06414	1.9
97.10053	2.3
97.83243	0.3
99.04317	1.4
101.02358	1.6
103.05328	0.8
105.04423	0.5
105.06898	12.2
107.04841	0.7
107.08460	9.5
107.09242	0.6
109.02743	1.3
109.06367	1.2
109.10017	6.5
111.07956	1.2
115.03782	0.9
115.05412	1.8
116.06133	0.5
117.07015	7.6
117.07775	0.3
119.08582	11.5
121.06433	0.4
121.10143	5.8
123.07959	0.7
123.11691	2.0
124.99886	0.5
125.09496	1.0
127.03899	2.6
127.07423	0.3
128.06216	3.4
129.07004	9.0
130.07668	0.7
131.08560	11.9
133.10135	7.9
135.07930	0.5
135.11685	3.6
137.09506	0.6
137.13121	0.6
141.06987	4.9
142.07800	2.9
143.08557	11.0
143.09605	0.4
144.09224	0.6
145.04869	0.7
145.10121	11.6
145.11209	0.4
147.07895	0.6
147.11682	5.1
149.09502	0.7
149.13289	1.8
151.07457	0.4
153.06810	1.3
154.07742	1.6
155.08551	8.8
156.09132	1.3
157.10124	12.5
158.10725	0.5
159.07921	0.6
159.11685	6.8
161.09467	0.4
161.13239	2.4
163.11111	0.5
163.14635	1.0
165.06824	1.3
166.07628	1.2
167.08553	5.3
168.09296	1.5
169.10133	11.2
170.10750	0.9
171.11684	9.9
172.12180	0.6
173.09578	0.4
173.13220	4.6
174.82469	0.3
175.10938	0.4
175.14801	1.7
179.08551	2.6
180.09140	1.0
181.10110	6.4
182.10916	1.5
183.11694	11.0
184.07420	1.5
184.12183	1.0
185.09511	0.5
185.13252	7.8
186.13976	0.5
187.14836	3.0
189.16206	1.2
191.08424	0.7
193.10149	2.8
194.10811	0.6
195.11713	8.0
196.12360	0.8
197.13246	8.3
198.13869	0.4
199.14835	4.4
201.16351	1.9
203.14001	0.4
203.17857	0.5
205.09985	1.0
206.10863	0.5
207.11720	2.6
208.12370	0.9
209.13254	6.7
210.13794	0.4
211.11266	0.4
211.14821	4.9
213.14569	0.4
213.16432	2.7
215.17729	0.8
219.11536	1.0
220.12288	0.3
221.13248	3.0
222.13765	0.3
223.11134	0.5
223.14816	4.6
224.15210	0.5
225.16418	3.5
227.18089	2.1
231.17343	0.4
233.13017	1.0
235.14803	2.1
236.15544	0.5
237.16347	3.1
239.17947	2.4
241.19449	1.0
243.20920	0.3
245.13177	0.4
247.14693	1.0
249.16260	1.1
251.17822	1.4
253.19347	1.5
257.18829	0.5
259.20416	0.4
263.17847	0.8
265.19376	1.2
267.20950	0.8
269.18964	0.4
269.22647	0.4
271.20413	0.3
275.20160	0.4
277.19290	0.5
279.17383	0.5
279.20923	0.4
283.20258	0.6
285.22037	0.7
289.19238	0.6
293.18848	0.5
293.22424	0.8
297.21939	0.7
299.20154	0.5
305.22299	0.4
307.20471	0.6
307.23935	0.5
309.21860	0.6
311.20270	0.6
311.23465	0.7
313.21649	0.6
313.25143	0.4
319.24033	0.4
321.22046	0.9
323.23499	1.1
325.21338	0.6
325.25162	0.6
327.23154	0.6
335.23495	1.0
337.21530	0.5
337.25174	0.8
339.22919	0.4
341.24615	0.7
347.23495	0.6
349.24911	0.9
351.27048	1.5
353.24521	0.6
353.28436	0.4
355.26361	0.6
361.25217	0.3
363.26736	0.7
365.24295	0.5
365.28275	1.0
369.27863	0.6
379.30014	0.8
381.27411	0.4
389.28214	0.5
391.29868	0.4
401.28140	0.4
403.29660	0.4
405.31430	0.6
407.28970	0.8
413.30557	0.5
419.28922	0.5
421.30893	0.6
425.30618	0.6
429.31079	0.5
433.30743	0.5
435.32050	0.6
439.32190	0.5
447.32339	1.1
449.34036	0.6
458.33710	0.4
461.33420	0.4
465.33453	0.4
473.32422	0.6
475.35016	0.9
483.34866	0.4
487.34204	0.7
489.40436	0.4
499.39697	0.9
501.35724	0.9
509.35446	0.4
513.35956	0.8
515.37347	1.3
517.40503	6.2
521.36035	0.7
523.37506	0.8
527.37402	1.3
529.39856	0.6
535.41602	3.9
539.37183	2.2
541.38678	1.2
545.38354	0.6
553.40076	0.4
555.41095	0.4
567.40808	0.4
569.41412	0.4
573.43207	0.5
591.44073	6.8
595.47534	0.5
607.43048	2.3
609.45117	100.0
610.45551	5.9
610.55182	0.4
611.46942	1.1
621.44678	1.3
624.53259	0.4
633.46027	0.6
651.46448	0.7
663.46259	0.5
675.46637	0.5
699.46576	0.3
717.46704	0.5
735.48285	1.5
753.48920	1.5
771.50464	19.1
772.50867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.0
55.05511	23.1
57.03430	8.3
57.07074	3.4
61.02930	11.4
65.03941	2.1
67.05505	46.0
69.03429	12.7
69.07069	19.3
69.56850	14.3
70.72549	1.9
71.05007	2.6
71.08637	1.9
73.02916	8.5
79.05494	34.2
81.03446	10.3
81.07058	40.5
83.04967	4.9
83.08628	10.3
84.27100	1.7
85.02916	15.2
85.06572	2.6
86.09700	6.3
91.03960	5.3
91.05482	29.1
93.07043	31.9
95.04971	6.6
95.08614	35.9
97.02878	12.2
97.06558	3.7
97.10152	4.9
98.20802	3.9
105.07036	31.8
106.03561	1.8
107.04946	1.9
107.05653	2.4
107.08591	18.3
108.54556	1.9
109.02910	4.0
109.06492	3.3
109.10155	14.2
111.04462	3.0
111.08092	2.7
115.03957	2.6
115.05466	2.5
117.07005	16.4
119.08562	22.4
121.10139	13.3
123.11758	3.9
125.00053	1.9
125.09663	2.6
127.03896	3.9
128.06235	5.5
129.07025	15.3
131.08559	20.0
133.10130	16.2
135.08113	2.5
135.11720	7.2
141.07013	5.8
142.07796	5.4
143.08551	19.5
143.34981	2.1
144.09256	2.0
145.10124	20.1
147.11702	9.8
149.09642	3.0
149.13263	3.3
153.07010	3.7
155.08554	15.3
157.10130	24.4
159.11722	15.1
161.13300	5.2
163.11223	2.1
166.35634	1.8
167.08592	8.2
169.10149	22.6
171.11705	21.8
172.07176	1.9
173.13322	8.4
175.14815	4.9
179.08556	4.4
180.09352	4.1
181.05014	1.9
181.10146	10.3
182.11040	2.3
183.11711	17.8
184.07364	17.1
184.12347	2.3
185.13280	12.6
187.14850	4.5
193.10196	6.3
195.11687	13.6
197.13188	16.2
199.14873	7.8
201.16409	3.0
207.11679	3.8
209.13333	10.4
211.14851	8.6
213.16380	3.4
219.11845	2.3
221.13303	4.6
222.14159	2.1
223.14873	6.7
225.16414	5.7
227.18106	2.9
235.14828	3.3
237.16455	5.2
239.18015	3.4
249.16356	2.7
251.17950	3.3
261.16489	2.1
265.19418	3.1
275.20267	4.1
327.08841	2.2
337.25293	2.7
442.06009	2.2
517.40143	10.5
527.38171	2.2
535.41559	3.8
545.38654	7.0
591.44238	5.2
607.42993	5.4
609.45093	100.0
643.43347	2.4
661.44525	3.2
679.45667	5.5
699.46167	3.5
717.46912	4.8
735.48059	7.0
741.66760	2.1
753.49463	7.8
771.50433	64.3
772.50537	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	770.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05507	12.4
57.03429	2.2
57.07066	2.6
61.02928	0.9
65.03942	2.1
67.05505	26.4
69.03429	2.3
69.07063	10.2
71.04980	2.0
71.07375	0.9
73.02902	1.0
79.05493	28.9
81.03413	3.7
81.07056	26.4
83.04972	1.9
83.08633	4.4
85.02911	1.1
85.06525	1.9
86.09697	4.4
91.05476	29.4
92.05804	0.8
93.07040	33.3
95.04974	4.3
95.08609	17.0
95.09186	1.4
97.02895	1.6
97.06542	2.4
97.10179	2.0
98.98463	0.9
103.05480	1.4
104.10760	0.9
105.07027	27.1
107.04958	1.4
107.08583	13.9
109.06561	1.8
109.10162	6.1
115.05438	0.9
117.07014	11.1
119.08580	18.9
121.10133	7.1
121.26537	0.7
122.56992	0.7
123.08105	0.9
123.11711	2.0
125.00027	3.2
127.03935	1.4
128.06180	1.0
129.06937	3.6
131.04953	0.9
131.08563	12.6
133.10133	15.7
135.11691	4.9
136.14581	0.8
137.09605	1.0
137.13255	0.9
141.06937	0.9
143.08537	4.3
145.10100	9.4
147.08081	0.8
147.11694	7.9
149.09686	1.0
149.13257	3.5
149.77148	0.7
149.99930	0.9
151.11203	0.8
151.87772	0.7
155.08560	1.5
157.10164	3.9
159.11670	6.8
161.13264	4.0
162.88293	0.8
163.14818	1.1
169.10149	1.8
171.11703	3.5
171.54048	0.8
173.13277	4.2
175.14803	2.2
181.10147	0.8
183.11729	1.6
184.07330	13.7
185.13303	3.3
187.14886	1.9
197.13335	1.3
199.14937	1.3
211.14830	1.0
213.16512	0.8
215.17970	0.7
229.27408	0.9
241.19583	1.1
259.20587	2.6
261.22260	2.5
273.38422	0.9
275.20151	1.6
297.22119	1.1
302.24750	1.5
304.26447	2.1
315.23154	9.2
317.24750	7.9
333.24295	2.3
335.25888	4.2
340.62454	0.8
398.71869	1.0
460.93042	0.9
515.37805	0.9
545.38495	1.0
593.45612	100.0
594.45990	10.0
609.45160	7.9
611.46698	1.1
706.83905	0.8
734.47101	1.0
753.49030	1.0
770.52643	1.3
771.49994	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	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
55.05510	48.1
57.03427	17.5
57.07074	4.3
58.94749	2.7
59.04995	4.4
60.08142	4.1
61.02919	6.4
65.03948	4.8
65.18707	2.5
67.05503	100.0
67.26356	2.6
68.05803	3.6
69.03417	10.2
69.07067	27.7
69.32968	2.7
70.55173	3.0
70.55518	8.3
71.04978	9.2
71.07348	4.0
73.02943	3.0
76.13429	3.1
79.05489	77.9
81.03426	16.6
81.07051	93.2
83.04971	14.9
83.08620	18.2
85.02892	10.3
85.06561	3.7
86.09713	18.7
91.05479	96.3
93.07039	79.1
93.07632	3.4
93.11644	2.8
95.04971	26.1
95.08598	51.6
97.02912	6.4
97.06536	11.2
97.10176	15.8
103.05469	3.0
105.07022	82.0
107.04954	11.6
107.08584	43.9
109.06514	8.4
109.10154	40.9
111.08105	7.7
115.05439	4.0
117.07013	36.9
119.08581	60.5
120.50161	2.5
121.06496	7.6
121.10149	28.0
123.08071	8.5
123.11732	3.1
124.99966	15.0
125.09631	11.0
128.06198	5.6
129.07007	24.6
131.08557	41.0
133.10117	47.6
135.08043	6.9
135.11667	16.6
137.05998	4.6
137.09569	4.3
141.06976	9.4
142.07791	5.0
143.08545	23.2
145.10112	32.2
147.08046	3.8
147.11674	44.5
149.09654	7.1
149.13213	11.4
154.07823	4.5
155.08525	13.7
157.10081	18.3
159.08043	4.2
159.11703	27.8
161.09659	4.7
161.13245	19.4
163.11241	5.3
163.14780	3.0
167.08595	6.7
169.10129	12.1
171.11676	25.2
173.11746	9.7
173.13293	11.9
175.11287	2.8
175.14857	7.6
177.12776	5.1
181.04950	4.1
181.10114	7.3
183.11697	9.4
184.07327	69.9
185.13289	11.9
187.14943	3.8
189.11185	7.8
189.12732	4.4
195.11703	5.3
197.13301	6.4
199.14883	5.5
201.12637	2.9
207.13766	6.8
209.13197	4.9
211.14818	6.6
223.13220	30.3
227.12746	7.0
229.14275	28.3
231.21092	6.0
237.16383	2.9
241.19576	18.8
257.19031	8.3
259.20584	53.5
260.21085	3.0
271.20706	3.0
275.20035	12.3
277.21436	3.5
281.17511	14.2
281.30194	3.0
295.20728	3.0
297.16925	37.4
309.21988	5.6
315.23254	3.0
327.23184	12.6
333.20969	4.3
333.24283	36.6
349.23804	5.3
401.26788	3.6
435.32629	5.0
445.30975	9.9
463.31958	10.5
481.32919	7.1
487.34125	7.8
527.37177	11.1
537.35840	24.5
555.36841	65.7
556.36914	4.6
573.37817	17.7
608.43811	4.8
718.80200	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05507	16.4
57.03448	6.7
61.02912	1.3
65.03935	2.8
67.05500	45.7
69.03417	3.9
69.07067	16.2
71.04974	3.9
71.72813	1.0
73.06538	1.1
75.11758	0.9
77.03900	1.7
79.05489	58.5
81.03415	10.9
81.07053	54.7
83.04981	12.6
83.08625	7.9
85.02894	2.8
85.06523	3.0
91.05477	44.5
92.05767	1.3
93.07038	63.1
95.04967	15.1
95.08610	23.5
96.35110	1.0
97.02875	3.1
97.06525	12.2
97.10151	4.4
99.04424	1.3
99.08096	1.6
103.05441	1.8
105.06303	2.0
105.07024	33.0
107.04942	6.4
107.08588	20.8
109.02901	1.5
109.06515	7.1
109.10148	8.0
111.08077	3.3
113.09572	1.0
115.05470	1.2
117.07021	12.2
119.08574	20.0
121.06481	3.7
121.10131	8.3
123.08048	3.2
123.11711	1.1
125.09594	1.6
127.03938	2.0
128.06184	2.5
129.07001	11.9
131.08565	10.4
133.06451	1.3
133.10115	15.3
134.10472	1.1
135.08041	4.0
135.11711	7.2
137.09610	1.5
143.08571	6.9
145.10098	12.2
147.08057	2.6
147.11681	21.5
149.09613	5.8
149.13217	7.2
151.11142	2.6
153.27675	1.0
155.08475	1.7
157.10133	2.7
159.11687	8.6
161.09583	3.4
161.13219	7.2
163.11174	4.6
171.11673	16.0
173.04491	1.4
173.13191	2.2
177.12688	2.4
179.14349	1.4
184.07228	1.1
189.12746	6.8
195.13855	1.8
207.13800	20.8
225.14806	1.8
227.12775	1.9
239.18053	1.7
253.14470	4.7
255.15993	4.8
257.19058	4.6
269.17429	16.0
270.18253	1.0
273.18732	1.1
275.20071	14.3
279.16187	1.1
281.17426	42.5
282.17841	2.0
331.22531	1.2
349.23795	9.2
367.24854	3.4
413.21790	1.2
435.27499	1.8
451.26657	1.3
461.28925	20.0
475.30524	100.0
476.30899	4.8
555.36688	17.2
573.36914	4.5
619.34747	2.6
771.39056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.2
55.05510	31.5
57.03439	7.7
61.02929	1.4
65.03937	2.6
67.05502	54.4
68.05840	1.4
69.03431	6.6
69.07066	16.2
71.04986	3.2
71.52710	1.4
73.02903	1.9
73.06541	1.1
77.03899	1.7
79.05492	74.5
80.05797	1.0
81.03407	11.4
81.07053	42.8
81.07533	2.1
83.04987	9.7
83.08611	18.2
85.02885	4.4
85.06527	3.0
86.09695	2.2
91.05478	51.2
92.05823	1.1
93.07037	54.2
95.04971	15.6
95.08602	22.8
97.02881	3.3
97.06524	4.7
97.10165	30.2
99.04437	1.6
99.08078	1.3
103.05426	1.7
105.04516	1.8
105.07026	46.1
106.07349	1.8
107.04951	11.4
107.08585	54.1
109.02836	1.3
109.06527	6.3
109.10149	15.3
111.04393	1.1
111.08073	3.8
117.07023	11.9
119.08574	24.9
121.06494	4.2
121.10143	11.1
123.08045	5.0
123.11679	2.2
125.09630	26.6
127.03871	1.7
128.06175	2.3
129.06993	11.7
131.08585	11.4
133.10124	21.6
135.08047	6.0
135.11691	8.2
143.08600	7.5
145.10107	21.5
147.08057	2.1
147.11682	30.8
149.09612	12.2
151.11140	2.9
153.09073	1.6
155.08481	2.0
157.10149	3.0
159.11700	5.7
161.09628	4.7
161.13242	9.2
163.11198	6.4
169.10059	3.3
171.10268	1.9
171.11674	18.6
173.11745	1.8
173.13206	3.0
177.12808	1.7
181.12251	1.9
183.11731	1.4
184.07356	4.6
185.13283	2.5
189.11208	14.9
189.12769	6.2
193.12253	2.2
195.11760	1.4
197.13312	2.7
207.13792	15.1
227.12766	76.8
239.17909	3.3
253.14360	1.7
257.19028	9.3
267.15915	1.2
275.20050	52.8
276.20474	2.4
279.15976	1.5
281.17468	38.2
283.15417	3.4
291.19525	3.9
313.21381	1.3
318.23407	1.3
331.22693	7.0
349.23721	34.0
353.82663	1.1
365.23154	2.3
389.17905	1.5
445.30743	2.3
451.26901	13.2
452.27518	1.3
459.30850	1.5
463.32239	1.3
537.35828	5.0
555.36804	100.0
556.36841	6.6
559.35663	1.5
573.33728	6.6
595.30731	2.1
770.12634	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.9
55.05510	26.6
57.03431	12.4
57.07052	2.5
61.02906	1.3
65.03918	4.3
67.05503	77.5
69.03430	5.9
69.07067	30.8
71.04999	6.0
73.06540	2.4
77.03895	1.4
79.05492	97.9
81.03412	14.3
81.07056	75.0
83.04981	17.4
83.08617	15.0
85.02879	4.8
85.06531	4.4
86.09715	1.5
90.95151	1.3
91.05479	78.2
93.07041	89.3
94.07351	1.5
95.04971	21.3
95.08607	40.0
97.02850	2.6
97.06532	16.2
97.10174	8.5
97.10683	1.4
99.08097	2.9
103.05460	2.1
105.04507	3.1
105.07027	64.3
106.07342	1.5
107.04962	12.9
107.07888	2.1
107.08589	41.4
109.02850	2.2
109.06531	8.9
109.10143	10.5
111.08062	4.9
115.05418	1.2
117.07026	20.0
119.08577	37.5
121.06496	6.1
121.10149	13.9
123.08070	7.1
123.11709	3.0
125.08727	1.3
125.09619	5.7
127.03912	2.3
127.07507	1.4
128.06221	4.1
129.07016	17.0
131.08571	13.9
133.06485	3.1
133.10121	25.1
135.08055	4.1
135.11679	11.0
137.05916	1.2
137.09621	2.4
141.06931	1.9
143.08572	10.6
145.10121	18.6
147.08035	4.1
147.11682	39.5
149.09613	14.0
149.13277	8.2
151.11200	1.7
153.09186	1.8
157.10143	4.3
159.11685	11.1
161.09601	6.2
161.13252	13.5
163.11156	9.8
171.11674	29.0
173.04433	2.4
173.13248	4.5
175.11133	1.4
177.12746	3.3
179.14310	3.5
183.11678	3.6
184.07283	2.0
187.11223	1.7
189.11273	2.2
189.12714	10.0
195.13770	3.0
207.13806	32.2
225.14862	2.6
227.12810	15.7
229.19444	1.8
239.18021	3.8
240.85234	1.3
247.20747	1.4
253.14430	1.9
255.15875	5.1
257.19061	10.9
263.16275	2.0
269.17462	13.7
275.20071	30.4
281.17471	82.2
293.21149	2.9
331.22485	2.8
349.23727	27.0
367.24811	3.1
413.21591	2.0
435.27213	4.0
439.31467	1.2
451.26492	3.4
459.30661	1.7
461.28967	26.6
475.30560	100.0
476.30838	3.5
517.37238	1.6
537.35553	4.0
555.36804	52.0
556.36731	1.7
573.38513	6.1
592.03607	1.6
619.34448	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	770.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.1
55.05511	27.2
56.05817	1.0
57.03434	13.3
57.07073	3.1
61.02934	1.9
64.64532	0.8
65.03933	4.1
65.94225	0.7
67.05500	83.1
68.05860	0.9
69.03422	6.6
69.07066	23.9
69.22221	2.6
69.22630	6.0
71.04984	5.3
71.08634	2.3
73.02926	2.1
73.06564	2.5
77.03944	2.4
79.05489	99.5
81.03413	14.5
81.07053	80.6
82.07397	0.8
83.04978	15.7
83.08616	13.7
85.02900	5.1
85.06537	4.6
86.09723	0.9
86.36239	0.7
91.05479	100.0
92.05818	1.0
93.07041	97.7
94.07405	1.8
95.04967	27.0
95.08604	46.4
96.08947	1.4
97.02895	5.3
97.06523	15.0
97.10153	6.4
99.08072	4.9
103.05483	2.6
105.04533	2.9
105.07027	71.2
107.04939	10.0
107.05508	0.8
107.08585	35.1
107.35445	0.7
108.08909	0.8
109.02863	1.4
109.06520	8.3
109.10155	12.2
109.10846	1.1
111.04451	1.7
111.08081	5.5
113.09668	1.7
115.05483	2.8
116.06227	0.8
117.07020	23.9
119.08578	50.7
120.08984	1.0
121.06494	6.6
121.10139	17.0
123.08065	8.2
123.11712	3.5
124.99982	1.1
125.05994	0.9
125.09624	3.2
127.03945	2.6
127.07599	1.3
128.06198	4.8
129.05482	2.4
129.07002	21.6
129.07935	1.5
130.07808	1.9
131.08568	24.5
133.06512	2.8
133.10133	30.2
134.10429	0.9
135.08022	3.8
135.11687	14.6
137.09636	2.8
139.11179	1.8
141.06996	2.6
141.09081	1.0
142.07776	1.5
143.08548	15.8
145.05011	2.2
145.06505	1.6
145.08928	1.1
145.10114	23.6
147.08051	3.8
147.11685	52.2
149.09602	9.0
149.13249	13.2
151.11200	2.0
153.09138	1.2
154.07805	1.1
154.16963	0.8
155.08582	2.7
156.09454	1.1
157.10176	6.1
159.11682	16.0
161.09637	6.7
161.13242	22.0
163.11185	6.9
163.14893	1.1
165.09128	1.2
167.08568	1.0
169.10185	3.3
171.11685	34.6
171.13170	1.8
172.12106	0.9
173.04463	1.4
173.13225	8.0
175.11169	1.9
175.14835	5.3
177.12726	4.7
179.14339	3.1
181.10164	2.0
181.92644	1.0
183.11736	2.2
184.07361	3.2
185.13231	4.5
185.39459	0.9
187.11159	1.7
187.14847	1.9
189.11154	1.6
189.12746	12.7
191.14423	1.2
195.12003	1.3
195.13895	3.9
196.13359	1.4
197.13271	2.9
199.13260	0.8
199.14760	3.9
201.12877	1.0
201.16423	1.1
207.11871	0.9
207.13794	26.6
208.14201	1.2
209.13306	1.5
211.14790	1.2
213.16422	1.0
215.17996	0.9
217.15874	1.4
225.14943	2.5
227.12727	1.5
229.19525	1.8
231.21198	2.8
239.17995	3.1
241.14308	1.3
241.19482	10.6
242.19778	1.1
247.20667	1.4
251.16420	0.9
257.16440	1.2
257.18970	7.7
259.20557	26.2
261.22037	1.3
263.16891	1.1
269.17422	11.6
269.19803	1.0
275.20029	12.3
276.20453	1.1
277.21640	2.5
279.15915	7.7
281.17456	55.3
285.14893	1.0
293.21210	2.9
297.17065	1.0
315.23282	2.8
331.22849	1.6
333.24228	18.8
334.24463	1.1
349.23862	6.9
367.25128	1.0
383.25443	1.0
429.30737	0.9
447.32507	3.2
461.28818	1.1
465.33386	2.3
475.30563	41.8
476.31110	1.5
504.20706	1.0
521.36194	1.8
539.37317	27.2
540.37714	1.1
555.36884	5.1
557.38348	10.8
573.37408	4.7
608.43665	1.9
611.46436	10.5
770.49451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.3
55.05239	2.0
55.05512	36.2
57.03439	14.3
57.07078	2.5
59.05004	1.7
61.02911	5.5
65.03927	4.7
65.59930	1.7
67.05504	86.6
68.05809	1.8
69.03428	13.1
69.07066	29.8
69.22214	3.5
69.22612	15.8
71.01333	3.0
71.04981	6.5
73.02922	4.2
73.06534	3.4
77.03906	1.5
79.05493	100.0
80.05807	1.9
81.03419	24.3
81.07055	92.2
83.04974	18.9
83.08617	23.0
85.02909	11.4
85.06528	5.6
86.09679	1.8
91.03959	1.8
91.05482	89.9
93.07042	96.9
94.07387	3.2
95.04965	30.0
95.08607	48.2
96.08884	1.7
97.02905	9.0
97.06519	17.4
97.10171	13.0
99.04415	2.0
99.08076	4.6
102.28274	1.8
103.05445	2.2
105.07034	69.1
107.04942	16.6
107.07877	3.2
107.08593	48.5
108.08830	1.7
109.02918	1.9
109.06512	11.9
109.10159	16.6
110.10512	1.9
111.04469	2.3
111.08083	6.4
115.05447	3.9
117.07015	25.1
119.08578	46.0
120.08881	2.2
121.06528	7.6
121.10133	21.1
123.08080	9.8
123.11685	5.2
124.99990	1.8
125.09604	5.8
127.03915	2.6
128.06198	4.0
129.05487	1.8
129.07004	19.8
131.08580	24.4
133.06502	2.5
133.10139	30.9
135.08052	6.2
135.11693	14.2
137.09595	4.7
139.07516	1.8
141.06934	2.6
142.07774	2.0
143.08572	12.2
145.10118	31.4
147.08008	5.0
147.11690	42.5
149.09622	11.0
149.13297	8.2
151.11180	4.7
155.08527	6.5
155.97696	1.6
157.10101	8.6
158.79622	1.7
159.11685	16.0
161.09654	8.1
161.13231	13.8
163.11189	12.3
165.12689	2.0
167.08540	3.1
169.10127	6.7
170.10550	2.3
171.11705	30.1
173.04459	1.9
173.13263	5.8
175.11189	2.5
177.12724	2.2
179.14265	1.9
181.10167	2.6
181.12224	1.9
183.11627	3.1
184.07327	8.7
185.13255	4.2
187.11150	4.0
187.14728	2.0
189.11230	2.8
189.12701	13.0
193.12277	3.4
195.11676	3.7
195.13792	2.4
197.13208	3.8
199.14812	3.2
205.12344	1.6
207.11871	3.3
207.13782	28.6
209.13246	3.1
210.13683	2.2
217.15900	3.2
225.14830	2.9
227.12799	11.5
229.19495	1.9
236.83566	1.6
239.17957	6.0
241.19414	1.8
247.20650	2.7
253.14354	8.0
255.15749	7.9
257.19040	16.0
259.20569	2.8
267.15845	7.1
269.17468	18.5
273.18478	3.8
275.20068	39.0
276.20392	2.2
279.15906	3.0
281.17468	75.5
283.15436	12.0
291.19452	12.5
293.21097	5.5
302.06140	1.7
331.22568	2.7
333.24258	3.6
338.27179	1.9
349.23746	25.3
365.23245	4.0
367.25104	3.2
369.18832	2.0
451.27036	2.3
457.29227	1.9
461.28949	33.8
462.29309	2.8
475.30539	86.1
476.31100	3.9
479.26257	2.3
493.27771	2.3
497.32349	2.9
515.33466	3.4
527.36804	2.9
537.35413	5.7
541.35144	11.1
555.36908	43.4
556.36853	4.0
573.34656	13.8
607.43384	3.4
608.43835	20.5
770.49774	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	770.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.8
55.05510	57.8
57.03434	20.5
57.07045	2.7
59.04992	4.0
61.02922	11.2
65.03936	4.9
67.05502	89.1
68.05831	3.2
69.03423	17.5
69.07068	45.4
71.01351	2.7
71.04984	9.5
71.08638	2.2
71.53197	2.5
73.02911	5.6
73.06523	1.9
77.03920	2.5
79.05490	92.5
80.05823	3.6
81.03415	26.0
81.07051	87.3
82.07375	3.6
83.01354	6.0
83.04976	22.5
83.08618	28.4
84.08948	2.1
85.02896	12.4
85.06538	3.6
86.09698	3.2
86.54752	1.9
87.04455	1.8
91.03928	5.7
91.05473	81.8
92.05806	3.2
93.07037	97.0
94.07360	3.0
95.04960	35.9
95.08604	49.8
96.08938	3.8
97.02880	21.4
97.06531	18.6
97.10155	18.0
99.04460	5.5
99.08096	2.7
103.05460	4.0
105.07025	75.9
106.07376	2.8
107.04942	20.4
107.08585	49.0
109.02886	4.0
109.06528	16.2
109.10151	21.3
110.10513	2.3
111.04435	4.7
111.08100	8.0
115.05444	4.0
116.06186	2.2
117.07010	32.1
119.08575	52.3
120.08894	2.1
121.06493	9.9
121.10122	22.4
123.08054	14.5
123.11691	3.0
125.05992	2.6
125.09607	12.2
127.03942	4.6
128.06218	6.5
129.05458	2.1
129.06998	22.5
130.07762	2.8
131.08553	29.4
132.08932	2.9
133.06509	5.1
133.10107	28.9
135.08038	7.5
135.11693	21.5
137.09625	6.6
137.13350	1.8
139.11093	2.7
141.07014	5.3
142.07771	4.3
143.08539	16.7
145.06451	4.6
145.10118	42.9
147.08055	9.1
147.11674	32.7
149.09543	9.3
149.13287	3.7
151.11121	3.3
153.12770	3.2
155.08539	12.0
156.09076	2.6
157.10143	10.0
159.11688	19.8
161.09593	4.4
161.13235	10.9
163.02383	2.1
163.11189	21.4
165.09134	2.1
167.08536	5.0
168.09114	2.1
169.10069	11.6
170.10683	2.3
171.11665	20.6
173.09618	4.1
173.11800	2.5
173.13208	9.4
175.11185	5.2
177.12706	3.5
179.08598	1.8
179.10582	2.0
180.09100	3.5
181.10072	3.9
181.12271	3.9
183.11638	10.1
184.07373	6.3
184.12144	1.7
185.13202	8.9
185.69032	1.8
187.11154	3.5
187.14790	2.0
189.11186	5.4
189.12737	5.1
193.10178	3.2
193.12210	2.7
195.11690	4.8
195.13788	2.0
196.12163	3.1
197.13289	7.1
198.13699	2.0
199.14803	2.4
207.11821	3.6
207.13727	14.6
209.11667	4.6
209.13284	4.8
211.14877	3.4
219.17424	2.1
221.13284	3.2
222.13573	2.1
223.13164	15.8
227.12706	10.9
229.19440	3.5
235.14821	2.5
237.16422	3.3
239.17986	6.5
253.14207	3.4
257.19064	12.7
259.20502	2.1
267.15875	8.4
273.18552	13.0
275.20032	23.1
276.20242	2.2
279.15952	2.7
281.17416	43.5
283.15381	74.3
291.19519	100.0
292.19827	4.9
293.21158	2.1
308.55157	1.8
317.70721	2.2
331.22574	5.7
347.22345	4.3
349.23639	16.0
365.23248	43.6
366.23846	3.9
451.26993	4.0
453.24997	2.2
461.29013	6.9
475.30707	17.5
493.28210	2.3
498.07480	2.0
516.39075	2.4
537.35663	4.2
541.35065	13.5
555.36969	33.4
573.34106	87.2
574.34406	6.6
590.42023	2.9
607.43207	6.7
608.43756	37.3
701.25958	2.0
734.46289	2.8
770.49164	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	769.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.5
55.05265	2.0
55.05504	19.9
57.03430	9.2
57.07062	2.1
59.04980	2.0
61.02924	19.2
65.03924	2.2
67.05502	49.6
69.03429	17.5
69.07066	19.8
69.65298	8.5
71.01340	2.6
71.04992	5.7
71.08620	1.7
73.02908	10.0
77.94532	1.5
79.05487	34.9
81.03413	20.9
81.07050	46.4
83.04967	7.3
83.08612	10.7
85.02901	18.0
85.06516	2.7
87.04453	1.4
88.73233	1.2
91.03953	10.0
91.05477	37.5
93.06495	2.2
93.07040	30.0
95.04964	9.9
95.08603	29.7
97.02888	18.3
97.06521	6.3
97.10148	6.8
97.88152	1.4
98.20798	1.4
99.04423	4.8
99.08069	2.0
101.02367	3.5
103.05491	2.1
105.04475	1.2
105.07025	29.5
107.04949	6.8
107.08582	26.0
109.02866	5.1
109.06541	5.9
109.09464	1.7
109.10146	17.2
111.04417	2.5
111.08070	2.0
113.06004	1.7
115.03876	1.4
115.05435	2.1
117.07008	15.3
119.07809	2.2
119.08578	24.6
121.06506	2.7
121.10136	12.8
123.04391	1.4
123.08057	5.0
123.11678	4.3
125.05985	1.3
125.09613	4.9
127.03931	6.8
127.91231	1.3
128.06190	5.7
129.05479	1.9
129.06993	17.1
131.08559	24.5
133.06505	2.7
133.10130	19.9
135.04391	1.5
135.08020	3.4
135.11691	8.5
137.09627	3.0
141.06961	7.7
142.07741	3.3
143.08565	18.0
144.09363	1.6
144.59094	1.2
145.04938	1.8
145.06497	2.8
145.10112	20.6
147.08046	1.8
147.11702	9.3
149.09575	4.0
149.13251	4.0
151.11136	2.8
153.07016	3.5
154.07764	1.9
155.08539	14.6
156.09294	2.6
157.10135	16.4
159.08025	2.8
159.11691	14.0
161.09607	2.8
161.13229	4.1
163.11185	6.3
163.14813	1.7
165.06993	4.1
165.12741	1.5
166.07767	2.8
167.08559	11.4
168.09343	2.8
169.10130	15.8
170.10773	1.5
171.11661	13.9
173.04468	3.2
173.09554	1.6
173.11877	1.3
173.13220	6.4
175.11142	2.2
175.14868	2.6
177.12790	1.5
178.07762	1.8
179.08485	6.0
180.09314	3.3
181.10085	13.4
182.10815	2.8
183.11658	13.0
184.12349	1.3
185.09578	1.5
185.13248	9.5
187.11115	1.8
187.14839	3.6
189.11069	1.4
191.08537	2.1
192.09280	2.1
193.10165	7.4
194.10869	2.6
195.11700	11.9
196.12347	2.3
197.13252	9.3
199.11139	1.9
199.14848	5.0
201.16425	1.8
204.42276	1.3
205.10098	2.8
205.12119	1.3
207.11809	7.2
207.13649	2.1
209.13246	9.4
211.14864	6.1
213.12817	1.5
213.16328	1.7
218.10901	1.6
219.11676	4.0
219.17546	1.4
221.13310	5.7
222.83539	1.3
223.14816	7.8
225.16338	4.0
227.12686	1.7
233.13261	3.2
235.14819	3.5
237.12793	1.4
237.16333	5.5
239.14212	1.4
239.17908	4.0
247.14804	3.5
249.16304	2.7
251.18011	3.2
253.19719	1.6
257.18924	3.0
261.16544	1.3
263.17874	2.8
265.19476	2.7
267.15894	2.9
268.22012	1.4
273.18564	3.3
275.17609	1.6
275.20111	12.5
277.19324	1.8
279.21231	1.8
281.17776	1.4
283.15329	5.4
283.20380	1.6
289.19415	2.0
291.19400	7.9
295.20404	1.9
297.22229	1.4
313.21561	2.1
337.21515	2.4
337.25372	1.6
339.23276	2.1
349.24200	3.8
351.22839	1.3
363.26733	1.7
365.23096	4.0
367.22620	2.8
376.17715	1.2
377.28519	2.1
389.28693	1.6
391.29898	1.9
403.29898	1.6
407.29077	1.8
429.15710	1.3
430.81659	1.4
437.30554	1.6
445.30408	1.5
447.32605	1.4
459.26859	1.9
463.31808	2.2
487.34402	1.8
497.37939	1.4
499.33728	2.5
513.35938	1.9
515.38934	6.1
525.35773	2.0
533.39807	3.8
537.35522	3.6
538.36249	2.4
555.36725	2.8
573.34625	7.0
589.42334	5.7
605.42108	2.3
607.43524	100.0
608.43481	4.9
619.42578	1.4
625.44983	2.9
629.64050	1.7
637.45007	1.4
655.02362	1.3
715.45160	2.2
733.46094	3.7
751.47076	4.5
769.48871	38.2
770.48798	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	769.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71463	1.8
55.01866	8.2
55.05508	33.0
55.20500	1.9
57.03438	15.2
57.07057	5.3
61.02924	15.9
65.03927	6.1
67.05503	58.7
69.03422	23.5
69.07066	23.7
69.18378	7.5
69.18804	7.4
71.01349	2.3
71.04994	7.2
71.08618	3.1
73.02915	10.0
78.50780	1.5
79.05489	48.9
80.65536	1.5
81.03407	28.5
81.07050	59.0
83.04979	9.9
83.08617	14.1
85.02902	19.3
85.06531	3.5
87.04465	3.3
89.05988	2.6
90.63188	1.5
91.03947	7.3
91.05474	56.1
92.05797	1.9
93.07040	50.4
95.04951	11.8
95.08606	47.2
97.02897	23.6
97.06541	7.4
97.10158	8.5
98.21468	3.5
99.04448	7.7
99.08078	2.7
101.02388	3.8
101.26322	1.5
103.03942	2.0
105.04491	2.2
105.07022	45.4
107.04963	6.6
107.08581	28.6
109.02879	5.9
109.06504	8.5
109.10153	20.7
111.04442	3.9
111.08067	3.5
115.03941	1.6
115.05457	4.2
116.06345	1.6
117.07018	27.2
119.08575	38.5
121.06490	5.2
121.10136	17.4
123.04444	1.6
123.08076	5.3
123.11687	3.9
125.09602	5.7
127.03929	8.1
128.06212	6.3
129.05461	3.8
129.07002	22.2
130.07793	1.7
131.08546	31.7
131.99457	1.6
133.06451	3.8
133.10118	24.5
135.08041	5.0
135.11691	9.3
137.09564	2.7
139.03897	1.7
141.06964	9.1
142.07777	6.2
143.08554	28.0
144.09322	1.6
145.05016	2.3
145.06444	4.2
145.10107	25.2
147.08000	3.3
147.11656	13.7
149.02301	2.1
149.06027	1.8
149.09631	5.1
149.13280	4.1
151.07516	2.1
151.11156	1.6
153.07010	4.5
155.08537	18.7
156.09338	3.7
157.06508	1.9
157.10117	27.6
159.08023	3.0
159.10432	2.7
159.11679	24.1
161.13242	6.5
163.11169	2.9
163.14900	2.4
165.06989	4.7
166.07794	3.1
167.08563	10.8
168.09346	4.1
169.10123	23.3
170.10806	2.8
171.11667	17.2
173.04445	6.1
173.09669	3.7
173.13280	10.4
175.11203	2.6
175.14816	3.3
177.12790	1.6
179.08560	8.4
179.14226	2.1
180.09218	3.5
181.10097	15.7
182.10866	2.5
183.08134	1.6
183.11696	20.8
185.09625	2.3
185.13246	10.4
187.11209	2.7
187.14813	5.6
189.12773	2.0
192.09219	1.8
193.05006	4.0
193.10147	9.5
194.11037	2.2
195.11621	15.6
196.12399	1.8
197.09570	2.2
197.13242	15.3
199.11195	2.2
199.14816	7.2
201.16383	1.8
203.08571	2.1
203.17841	1.6
205.10168	4.4
206.10933	1.8
207.11740	9.9
207.13419	2.2
209.13219	12.8
211.14778	9.4
213.16338	2.9
215.14357	1.6
217.15820	2.4
219.11627	5.0
220.12312	1.6
221.13300	8.4
223.11258	2.1
223.14810	11.5
225.12727	3.2
225.16394	4.8
227.17986	2.5
227.20013	27.7
231.11713	1.7
233.13275	4.0
235.14818	4.8
236.15356	2.1
237.16293	5.5
239.18008	6.1
241.15889	2.0
247.14862	3.5
249.16388	5.3
251.18060	3.0
257.19025	4.4
259.20596	3.2
263.17868	2.2
265.19492	2.2
271.20511	1.8
273.18759	1.9
275.17670	1.6
275.20099	9.6
297.18481	1.9
297.21881	2.2
304.26529	1.7
311.19809	1.9
313.21530	2.6
321.21954	2.6
325.21701	2.1
335.23367	2.1
337.25247	2.4
349.24283	3.2
367.22723	4.5
385.24075	2.0
403.24710	1.6
513.36218	2.8
515.38940	9.1
525.35828	2.9
527.37408	3.5
533.39789	3.7
537.35785	2.6
539.37842	2.7
589.42456	3.0
605.41974	3.4
607.43549	100.0
608.43610	4.8
609.44586	2.3
625.44220	4.2
628.46411	2.0
733.46130	6.5
751.47064	8.8
769.48804	42.0
770.48462	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	769.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96707	1.9
55.01868	11.0
55.05508	38.6
57.03433	15.4
57.07048	5.0
58.20587	1.7
61.02922	16.6
61.73231	1.6
65.03936	8.8
66.69904	1.6
67.05499	83.0
67.93307	1.7
68.05789	1.9
68.19334	1.7
69.03425	38.5
69.07066	36.8
69.19364	20.6
71.01340	3.0
71.04982	9.6
71.08637	2.3
71.19897	1.6
73.02898	7.3
77.03930	2.0
79.05487	72.2
81.03412	53.6
81.07050	86.0
83.04979	16.7
83.08614	17.1
85.02908	22.8
85.06532	5.1
87.04463	2.6
90.35619	1.9
91.03938	5.1
91.05475	75.2
93.07037	68.9
93.07511	1.2
93.07638	2.6
95.04965	17.6
95.08600	53.3
97.02884	28.2
97.06523	9.8
97.10152	10.7
99.04438	8.2
99.08063	2.4
101.02380	3.2
103.05443	3.4
105.07021	64.5
107.04957	11.6
107.08584	41.7
109.02867	14.5
109.06504	11.2
109.10160	24.3
111.04463	5.2
111.08075	5.6
113.05974	2.8
115.05428	7.4
117.06242	3.3
117.07011	39.3
119.06062	2.0
119.08580	54.2
121.06502	8.1
121.09328	2.9
121.10130	26.5
123.08057	5.4
123.11671	7.2
125.09617	8.4
127.03914	13.5
128.06206	8.8
129.05455	7.3
129.07008	24.7
130.07762	3.5
131.04901	2.5
131.08556	46.1
133.06456	3.2
133.10126	39.6
135.08017	8.2
135.11694	14.6
137.09575	5.0
141.06972	13.8
142.07739	8.0
143.08545	31.5
144.09344	3.9
145.04927	2.9
145.06458	5.0
145.10117	42.5
147.08057	3.5
147.11690	23.8
149.02335	24.1
149.09583	7.0
149.13239	8.3
151.07555	2.5
151.11188	3.7
153.06985	5.8
154.07753	4.9
155.08536	24.2
156.09351	4.4
157.06520	2.8
157.08954	2.6
157.10124	24.5
159.08008	2.9
159.11682	24.7
161.05820	1.9
161.09546	4.8
161.13243	11.2
163.11156	4.0
165.07005	4.7
166.07747	3.8
167.08536	15.2
168.09335	3.4
169.10106	28.6
171.07889	2.8
171.10266	3.7
171.11644	24.2
173.04456	15.8
173.09645	4.9
173.11859	3.5
173.13254	14.5
175.11203	5.0
175.14841	3.8
177.12779	4.6
178.07788	4.0
179.08562	8.7
179.14314	1.8
180.09361	2.4
181.10152	16.6
182.10924	3.8
183.11673	27.1
185.09645	4.2
185.13216	16.2
187.11136	3.3
187.14812	7.5
189.11244	2.4
189.12805	2.5
189.16412	2.1
191.08583	4.0
191.10541	2.1
192.09348	2.9
193.04950	29.5
193.10107	11.1
195.11708	17.9
195.13544	3.1
196.12440	2.3
197.13251	16.7
199.11095	4.4
199.14775	8.8
201.12737	3.8
201.16415	2.1
203.08397	2.1
203.14232	2.7
205.10057	4.5
206.10884	2.7
207.11739	11.3
208.12323	2.7
209.13237	15.6
211.11145	2.6
211.14780	9.7
213.12697	3.6
213.16420	4.7
215.17865	2.0
219.11641	6.0
221.13235	10.7
223.14763	10.5
225.12791	2.4
225.16347	6.7
229.19305	3.8
231.11638	2.4
231.17380	2.3
233.13306	3.8
235.11194	2.0
235.14781	6.2
237.16382	5.3
239.14394	2.2
239.17987	3.6
241.19476	6.3
245.13361	2.6
247.14885	3.5
249.16423	4.2
251.14272	2.0
251.17874	2.2
257.19046	4.4
259.20505	4.4
261.16306	4.2
262.89407	2.0
263.17715	3.3
271.20432	3.3
275.20166	14.2
277.21753	2.7
283.20486	2.2
287.20145	2.4
297.22043	3.4
297.94281	1.8
299.20172	2.5
307.20538	2.0
311.23535	3.4
315.23398	2.7
321.21976	3.7
325.21622	3.2
327.23010	1.9
333.24268	6.3
339.23209	5.1
349.24359	3.1
363.56235	2.0
367.22525	3.9
369.24600	2.0
385.23447	2.8
433.31158	2.6
441.25845	2.4
459.26865	2.8
513.35968	3.4
515.38538	7.4
525.35077	2.4
527.37445	3.4
533.39380	5.5
537.36151	3.9
551.39484	3.7
589.42230	5.0
592.44360	5.7
605.41638	3.3
607.43530	100.0
608.43646	4.5
609.44836	3.5
625.44147	4.1
635.39990	2.1
637.43866	2.4
649.44153	2.3
669.93292	2.4
715.45343	5.0
719.55353	2.2
733.46393	7.9
751.47778	15.8
769.35437	3.4
769.48682	51.0
770.18219	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.0
55.05506	35.0
57.03436	13.5
57.07058	3.4
59.04975	1.9
60.00480	1.4
61.02647	1.7
61.02926	16.9
65.03922	4.5
65.37663	1.5
67.05502	70.1
68.05830	3.0
69.03427	20.1
69.07063	28.7
70.30631	4.1
71.01345	2.6
71.04987	8.5
73.02911	11.1
79.05486	64.4
80.05822	2.1
81.03415	43.2
81.07050	69.3
82.07374	2.4
83.04971	13.9
83.08617	15.7
85.02898	19.2
85.06533	4.4
86.09693	2.2
87.04456	1.6
91.03948	6.5
91.04901	3.1
91.05473	56.5
92.05787	2.2
93.07037	57.5
94.07385	3.4
95.04971	14.1
95.08604	51.5
97.02883	24.7
97.06528	6.8
97.10155	9.0
99.04414	7.5
99.08067	4.7
101.02368	3.3
103.05471	3.3
105.07022	50.6
106.07351	2.1
107.04942	8.7
107.08580	37.7
108.08942	2.3
109.02842	7.6
109.06483	7.6
109.10140	20.1
111.04432	3.8
111.08063	5.5
115.05424	3.7
117.07010	25.3
119.04901	1.7
119.08571	38.3
121.06475	4.4
121.10143	23.2
123.04388	1.8
123.08052	5.2
123.11685	5.0
125.00117	1.4
125.06004	1.9
125.09630	5.9
127.03904	10.7
128.06177	8.7
129.05505	3.4
129.07002	21.5
129.52997	1.3
130.07765	2.0
131.08553	34.8
132.08855	2.1
133.06491	3.4
133.10117	32.1
135.08020	6.5
135.11694	13.2
137.05910	1.8
137.09592	3.4
139.11205	1.9
141.06949	10.4
142.07770	5.5
143.08554	22.1
144.09270	2.0
145.04912	2.1
145.06483	3.8
145.10107	31.4
147.08044	4.5
147.11679	20.4
149.09595	7.7
149.13257	6.9
151.11169	4.6
153.07013	4.7
153.09163	1.9
154.07729	1.8
155.08521	15.5
157.10112	25.1
159.08008	3.5
159.11681	18.9
161.09610	5.9
161.13249	7.5
162.13556	1.6
163.11174	4.7
165.06975	4.0
166.07698	2.2
167.08551	12.8
168.09311	4.5
169.10101	21.4
170.10660	1.6
171.08060	4.1
171.11668	18.4
173.04425	14.3
173.09593	4.2
173.11865	2.4
173.13254	10.9
175.11127	3.5
175.14848	3.3
177.12703	3.2
179.08566	6.8
179.14345	2.1
180.09322	3.2
181.10088	16.3
182.10857	2.7
183.08076	2.4
183.11668	17.7
184.07333	3.9
185.09641	5.4
185.13263	13.0
187.11121	3.8
187.14803	5.4
189.11201	2.1
191.08826	2.0
192.09317	2.0
193.10127	10.7
194.10873	2.3
195.08012	1.7
195.11700	16.4
195.13589	2.3
197.13205	12.6
199.11169	4.2
199.14813	4.8
201.16420	3.5
203.14333	1.4
205.10214	2.2
207.11708	9.3
208.12462	2.0
209.13261	15.0
210.13815	2.2
211.11221	2.2
211.14836	7.2
213.12802	2.1
213.16420	3.4
215.14383	1.7
215.18024	2.4
217.15828	2.4
219.11694	2.9
220.12279	2.3
221.13243	8.3
223.14891	11.2
225.12741	2.9
225.16350	4.6
227.17929	2.2
233.13216	3.6
233.15285	2.1
235.14812	5.5
237.16312	4.3
239.17995	3.0
241.19508	3.9
245.13335	2.1
247.14912	3.5
247.20671	1.8
249.16393	3.7
251.18028	4.8
255.17535	1.8
257.19077	4.3
259.20529	5.1
263.17892	3.2
273.18552	2.5
275.20093	12.3
276.20493	2.1
277.19333	2.9
281.17517	3.0
291.19519	5.5
292.19888	3.8
313.21719	2.5
315.22998	3.1
321.22076	2.3
325.21585	2.5
333.24561	2.4
337.21545	2.4
339.22995	3.7
347.23444	2.9
349.24051	5.5
363.26926	2.7
365.23395	2.0
367.22672	3.4
375.26791	2.3
377.28531	2.1
385.23621	2.6
393.28033	2.4
459.27118	2.2
487.33017	1.8
499.34134	1.9
513.35852	2.5
515.38867	9.2
525.35437	2.6
533.39740	5.0
537.35596	1.8
538.36206	2.7
539.38074	1.8
551.39532	2.0
572.36670	10.0
589.42053	4.2
605.41785	2.8
607.43481	100.0
608.43585	3.3
609.45471	3.0
610.45349	18.0
623.42627	2.3
625.44952	3.0
649.44910	2.1
671.41199	2.8
695.20300	1.6
733.46301	6.7
751.47729	8.5
769.48621	45.2
770.48224	3.5
772.90265	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	768.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63139	0.7
55.01865	1.9
55.05510	8.9
57.03439	2.0
57.07070	1.9
59.86179	0.7
65.03934	1.5
67.05505	23.3
69.03416	1.2
69.07067	7.2
71.04975	1.6
71.08629	12.5
79.05492	23.0
81.03423	3.6
81.07056	23.9
83.04969	4.0
83.08625	4.6
85.06518	1.1
91.05479	27.3
93.07042	29.4
95.04939	5.5
95.08604	17.9
97.06519	5.3
97.10157	1.0
99.08102	10.4
105.07027	25.0
107.04953	5.2
107.08584	16.3
109.06474	1.9
109.10152	6.7
111.08041	1.1
113.09618	1.2
113.47606	0.7
115.05452	1.1
117.07016	6.7
119.08579	17.0
121.10160	8.8
123.08072	1.0
123.11692	1.7
129.07001	3.6
131.08562	8.8
133.06477	0.9
133.10120	13.1
135.11688	10.4
141.09061	1.7
143.08533	2.1
145.10120	5.7
147.11658	5.5
149.09677	1.4
149.13242	4.4
151.11166	5.4
157.10112	2.1
159.11678	3.9
161.09636	0.8
161.13269	5.4
163.11159	2.5
163.38541	0.8
171.11693	3.1
173.13254	2.4
175.11162	1.0
175.14859	1.2
177.12704	1.2
179.14301	27.1
185.13309	2.1
199.14740	1.3
213.16216	1.2
221.15298	0.9
229.54514	1.2
234.21629	0.8
235.16940	1.1
241.19504	1.5
259.20508	3.4
275.20047	1.7
277.21634	15.8
278.21729	0.8
293.21002	1.2
295.22708	1.8
302.24640	0.8
315.23154	7.2
317.24893	1.0
318.24478	1.0
320.25754	1.9
333.24304	1.7
335.25616	1.2
351.25256	3.6
392.18143	0.9
431.21939	1.3
577.41425	1.0
609.45099	100.0
610.45551	5.1
627.45599	3.4
682.10992	0.8
750.46442	1.7
768.46735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.8
55.05511	35.9
55.92123	1.7
56.05827	1.5
57.02802	1.9
57.03428	6.6
57.07065	8.2
61.46964	1.8
65.03931	7.0
67.05501	98.0
68.05807	2.0
69.03430	5.2
69.07067	34.6
71.04989	4.4
71.08633	23.3
71.15698	1.8
71.51088	2.9
79.05492	100.0
80.05031	3.8
80.05807	2.2
81.03419	14.3
81.07053	90.4
82.06565	5.5
82.07368	2.6
83.04977	8.9
83.08618	15.3
85.06539	3.9
91.05479	95.4
92.05826	2.9
93.07040	93.3
94.06530	3.7
95.04977	18.2
95.07401	1.9
95.08606	54.6
96.08100	2.1
96.08926	1.9
97.02856	3.0
97.06522	10.9
97.10155	9.4
98.06036	4.3
98.98463	4.1
99.08083	19.0
100.91645	1.9
103.05473	2.6
105.04537	2.7
105.07030	83.9
105.93503	1.8
107.04947	5.7
107.07880	3.5
107.08589	48.5
109.06521	8.1
109.10154	26.5
111.08074	6.2
113.09643	4.1
115.05421	4.4
116.06202	1.7
117.07008	34.4
119.08575	49.0
119.09383	3.5
121.06486	4.7
121.10146	23.4
122.10433	2.0
123.08080	6.0
123.11641	3.4
124.11205	2.6
125.09628	7.2
126.12801	3.2
128.06239	3.9
129.07021	13.9
130.07770	2.0
131.08569	34.5
133.10132	41.1
135.08066	3.8
135.11682	16.3
138.79053	1.8
141.06952	4.1
142.07768	3.6
143.08553	15.3
144.09390	2.4
145.10121	33.5
145.11174	2.8
147.11684	18.9
149.09639	6.6
149.13242	14.1
151.11171	12.2
155.08534	4.6
157.10112	13.5
159.11668	20.4
161.13281	14.5
163.11166	11.7
163.14838	4.0
165.12846	1.9
169.10149	5.0
171.11681	11.4
173.11882	3.2
173.13251	14.9
175.14824	5.8
177.12686	9.2
179.14281	9.8
180.13776	3.3
181.10022	2.2
183.11702	4.7
184.07355	3.5
185.13243	7.3
187.14764	5.0
189.12747	2.0
195.11728	1.8
195.13786	2.7
197.13231	3.8
199.14847	4.3
201.16364	2.4
202.15807	1.9
207.11743	2.2
207.13779	2.3
220.16963	16.4
222.08803	2.0
223.14854	2.2
224.10623	2.6
227.12633	2.2
231.21268	1.8
238.18047	7.5
241.19501	5.6
243.21121	5.2
257.19128	2.5
259.20590	14.2
261.22195	5.7
275.20007	8.6
277.21558	6.1
293.21106	25.3
300.13489	2.3
302.24698	5.0
304.26318	6.5
313.27423	3.7
314.27972	2.0
315.23141	18.3
317.24655	12.1
318.14691	8.7
318.24744	3.1
320.25766	8.2
333.24200	11.1
335.25781	9.3
336.15631	4.4
349.23859	2.5
351.25308	2.4
352.15335	2.5
367.25183	2.3
374.17264	4.4
392.18338	14.4
489.35672	4.7
509.36353	1.9
511.37665	2.7
527.37170	21.8
529.38812	9.8
552.40216	3.2
591.43921	8.2
593.45557	58.2
594.45593	4.2
606.41809	1.8
607.42773	3.1
609.45111	64.5
610.45190	4.2
627.46124	61.9
628.46606	3.5
650.37952	15.5
652.39252	5.0
654.14996	1.8
732.45087	3.8
750.46356	4.8
768.47375	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	768.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.3
55.05510	28.1
57.03427	9.0
65.03932	5.3
65.97061	1.9
67.05502	70.3
69.03419	9.4
69.06192	1.9
69.07066	28.3
69.28683	17.2
71.04978	4.0
76.86836	1.8
79.05490	82.5
81.03408	24.0
81.06596	3.8
81.07052	62.4
83.04984	15.1
83.08619	13.1
85.02908	3.2
85.06528	3.8
87.97605	1.9
91.05474	64.6
92.05823	3.0
92.73886	2.0
93.07040	69.4
94.07429	3.0
95.04974	23.5
95.08604	30.2
97.02900	9.7
97.06520	7.4
97.10155	16.4
105.07023	54.5
105.07698	4.3
106.07346	3.1
107.04939	15.3
107.08588	34.4
109.06490	8.7
109.10148	22.1
111.08051	4.3
115.05417	3.9
117.07014	19.4
119.08571	33.1
121.06529	7.5
121.10141	14.7
123.08045	7.5
123.11716	4.7
125.09644	10.1
128.06223	4.9
129.06996	17.0
130.08801	2.1
131.08549	19.6
133.06500	6.4
133.10133	30.5
135.08046	7.8
135.11700	8.0
137.09593	3.8
143.08562	10.8
145.10149	16.4
147.08037	9.0
147.11659	25.9
149.09573	4.7
149.13272	5.3
151.11174	8.1
155.08481	3.9
157.10077	5.0
159.11688	8.7
161.09619	6.4
161.13254	7.2
163.11259	2.0
168.09056	2.0
169.10110	5.0
169.12198	2.4
171.11676	22.0
173.04437	3.3
173.13246	2.2
175.11180	4.4
181.10129	2.4
183.11740	3.0
184.07300	2.4
185.09644	2.3
187.14812	2.2
189.11230	2.7
189.12732	7.6
196.13380	4.8
207.13762	13.0
223.13263	5.9
227.12778	4.5
245.19038	2.7
253.14284	19.0
273.18460	22.8
275.19949	6.0
281.17444	46.0
291.19519	73.4
291.73621	2.1
311.19623	2.3
321.44678	2.0
346.11142	2.6
347.22119	4.8
348.01956	1.9
349.23932	3.3
365.23239	33.8
398.38620	2.3
422.62686	2.5
428.60910	2.1
473.29379	3.1
477.28397	7.5
525.13348	2.1
553.35132	5.5
556.90887	2.1
571.36237	100.0
572.36151	4.8
607.43262	2.6
609.44952	24.6
613.37030	2.2
627.45551	3.1
768.46692	8.3
769.48541	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	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.3
55.05508	17.6
57.03423	4.7
64.75594	1.2
65.03940	2.3
66.94723	1.1
67.05141	2.2
67.05504	42.3
69.03432	6.0
69.06730	2.1
69.07068	23.2
70.90421	1.3
71.04980	2.4
71.52873	2.6
79.05491	44.1
81.03424	9.0
81.06592	2.6
81.07054	37.7
83.04967	9.0
83.08615	7.6
85.02921	2.6
85.06548	2.4
91.05477	41.6
92.05778	1.6
93.07042	44.9
95.04972	13.6
95.08604	20.2
97.02882	5.8
97.06512	5.8
97.10179	9.7
105.07027	30.2
107.04919	9.1
107.08591	20.6
109.02884	2.1
109.06491	4.8
109.10162	11.5
111.04431	1.4
111.08060	2.1
117.07017	8.0
119.07784	2.3
119.08572	19.4
121.06510	5.3
121.10160	7.3
123.04430	1.4
123.08077	5.5
123.11711	1.8
125.09613	5.9
127.03926	1.7
128.06212	1.9
129.06978	11.4
130.07813	1.5
131.08595	10.1
133.06482	4.0
133.10107	17.1
134.07231	1.6
135.08029	3.8
135.11693	3.2
137.09601	1.5
143.08586	7.1
145.06425	1.5
145.10124	12.4
147.08015	5.8
147.11678	18.1
149.09608	4.1
149.13228	2.5
150.80292	1.4
151.11168	5.1
155.08615	1.3
157.10133	4.3
159.11676	3.4
161.09634	4.7
161.13245	6.7
163.07509	1.4
163.11142	3.7
169.10147	2.7
169.12202	1.7
171.11668	15.6
173.13251	2.0
175.11177	2.9
175.32579	1.4
183.11751	1.7
189.11203	3.1
189.12764	5.9
193.12239	1.8
207.13824	16.7
223.13229	8.1
227.12770	4.6
227.19952	1.6
237.16383	1.4
245.18924	2.0
249.14885	2.8
253.14371	14.1
267.15930	2.2
273.18478	17.6
275.19983	2.1
281.17468	41.9
291.16211	3.3
291.19528	68.0
292.19904	3.2
347.22214	4.8
365.23221	30.0
473.28799	3.9
477.28537	4.5
553.35107	5.7
571.36249	100.0
572.36218	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	767.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44373	0.3
57.03423	0.6
62.44293	0.3
69.03429	5.1
69.97993	1.4
71.01355	2.6
71.04967	0.8
73.02892	0.8
81.03409	3.2
81.60201	0.3
85.02904	5.7
97.02888	1.5
97.96482	0.3
99.04461	1.6
101.02358	1.2
103.05466	0.6
109.02868	5.2
119.04944	0.5
127.03900	1.5
127.87431	0.3
129.03413	0.3
131.04861	0.3
135.04433	0.3
139.03860	0.3
145.02831	0.8
147.04407	1.1
147.56981	0.3
151.23749	0.3
153.01788	0.5
157.02818	1.1
163.03880	0.8
173.02368	1.7
175.03876	1.6
185.02351	1.3
187.03912	2.4
191.03415	1.0
201.01788	4.0
203.03360	2.3
205.01392	0.3
213.01822	2.9
215.03342	2.1
217.01268	0.7
219.02934	1.1
228.99062	0.3
229.01309	4.9
229.04832	0.3
231.02866	10.9
236.91348	0.4
241.01294	2.4
247.02386	5.3
257.00781	11.9
258.01328	0.3
259.02365	17.9
260.02914	0.5
271.02463	0.3
271.05508	0.3
275.01843	10.6
276.02567	2.0
277.03412	54.8
278.03720	0.9
285.00296	9.5
286.00781	0.4
289.03207	0.5
302.00629	0.8
303.01328	100.0
304.01620	2.5
315.04831	0.4
321.02451	2.6
344.04285	0.3
409.28009	0.3
465.06662	0.8
491.81891	0.3
591.11420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03420	0.9
67.00970	0.2
67.01849	0.5
68.52393	0.2
69.03430	7.0
71.01352	3.1
71.04974	1.0
73.02919	1.4
81.03416	6.4
82.81261	0.3
85.02905	6.6
89.03912	0.5
91.05477	0.5
97.02902	1.7
99.04454	1.8
101.02367	1.8
103.05460	0.8
109.02878	10.0
117.03365	0.3
119.04957	0.5
123.04420	0.7
127.03925	1.5
129.03380	0.4
131.04927	0.6
139.03891	0.5
145.02866	0.6
145.04919	0.4
147.04395	1.4
151.03883	0.3
153.01866	1.2
157.02844	1.0
159.04330	0.4
161.02325	0.3
163.03889	0.9
173.02332	1.7
175.03902	2.1
185.02309	1.5
187.03928	3.4
191.03403	1.4
199.03981	0.3
201.01807	5.5
203.03391	3.4
207.02899	0.6
213.01839	3.2
215.03366	2.6
217.01291	0.5
218.02141	0.3
219.02858	1.2
229.01302	4.9
230.01915	0.5
231.02892	14.8
232.03113	0.6
241.01297	3.3
243.02925	0.4
247.02396	6.5
257.00809	12.0
258.01212	0.4
259.02383	22.7
260.02765	0.7
275.01874	12.5
276.02557	2.1
277.03430	63.2
278.03683	1.3
285.00296	9.8
286.00888	0.4
287.18176	0.2
289.03351	0.8
302.00699	1.2
303.01346	100.0
304.01672	3.2
321.02393	2.6
367.03952	0.3
370.91238	0.3
447.05484	0.4
465.06854	1.2
597.09796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.05510	9.0
57.03429	11.5
57.06796	1.5
57.07076	27.9
65.03939	1.2
67.05506	14.2
69.03410	1.1
69.07065	8.6
69.19378	11.9
71.04977	2.5
71.08628	20.9
73.02906	1.5
79.05481	6.6
81.03417	59.1
81.07052	16.8
83.04971	4.4
83.08618	19.8
85.02906	2.5
85.10180	12.9
89.06010	1.1
91.05482	9.7
93.07034	6.4
95.01369	1.2
95.04955	17.3
95.08614	18.2
97.02890	2.9
97.06537	1.1
97.10181	3.7
99.08073	1.2
99.11731	1.8
105.07040	7.4
107.04963	4.0
107.08575	3.3
109.02879	2.5
109.06536	1.5
109.10149	7.2
111.04423	1.8
111.08081	4.1
113.21652	1.1
117.07021	2.5
119.08585	7.9
121.06499	3.0
121.10134	3.3
123.04442	2.4
123.08031	1.3
123.11684	3.4
125.09608	1.2
125.13280	1.1
127.04005	1.3
128.08556	1.1
129.06999	6.7
131.08568	4.8
133.06520	1.8
133.10150	3.3
137.09656	1.6
141.01871	1.2
145.10069	2.0
147.08054	2.4
147.10677	1.1
147.11636	5.2
149.09621	4.2
157.10059	6.2
159.11732	1.3
163.11172	2.0
165.12758	1.4
175.11128	6.4
184.07295	5.6
193.12236	24.2
193.13913	1.9
211.13242	2.8
235.13290	3.6
239.23721	4.0
249.14853	2.1
257.24774	1.5
267.15903	89.5
268.16339	1.9
277.14307	2.1
287.12466	1.4
289.14374	1.5
309.16782	2.5
313.27356	100.0
314.27731	2.9
333.13388	2.0
363.13351	1.1
389.16040	1.5
443.19342	2.1
489.30972	2.1
493.17184	3.0
505.38882	75.7
506.39014	4.9
539.28693	3.0
547.39984	4.5
601.41486	1.8
660.51941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.0
55.05511	20.7
57.03434	14.9
57.07072	40.3
65.03934	3.9
67.05505	43.4
69.07063	17.1
71.01361	5.4
71.08632	30.3
71.52264	3.8
71.52673	3.4
71.73201	3.7
73.02905	4.5
79.05498	33.0
81.03405	2.9
81.07052	53.8
83.08604	14.3
85.02885	10.2
85.06535	4.3
85.10184	21.8
85.48250	2.9
86.04659	2.9
89.22166	3.3
91.05482	44.8
93.07038	42.2
95.01324	9.0
95.08602	47.4
97.02843	3.3
97.10171	7.5
105.07033	58.1
107.08606	22.5
109.10119	19.6
114.55009	2.7
117.07018	16.4
119.08573	44.7
121.10146	19.6
123.11679	6.2
129.07002	14.2
131.03419	5.3
131.08559	23.9
133.10117	40.7
135.11674	25.4
137.13228	3.3
141.01837	7.7
143.08557	11.4
145.10091	24.0
147.11700	37.3
149.13234	11.7
157.10120	11.5
159.11665	22.1
161.13228	26.8
163.11221	4.2
171.11691	12.0
173.13292	15.5
175.14830	11.5
183.11604	3.5
185.13257	9.6
187.14827	4.1
215.18082	3.7
231.21021	8.3
239.23648	6.7
241.19507	36.1
257.50705	3.3
259.20560	90.8
271.20850	3.2
301.21637	4.3
308.62943	2.9
313.27383	100.0
315.23099	8.4
333.24216	42.4
406.76175	3.2
417.22781	4.4
435.23087	3.5
478.10065	3.4
509.27856	4.0
541.08026	3.5
571.47021	9.3
589.48145	33.8
599.27466	3.8
613.48322	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	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.24783	0.3
55.01871	0.9
55.05508	1.3
57.03431	1.9
60.08157	1.2
61.02926	5.8
62.42621	0.4
65.85030	0.3
67.05503	3.6
69.03430	3.2
69.07063	1.4
71.01355	0.6
71.04990	0.8
71.07385	0.6
73.02903	4.1
79.05494	4.9
81.03416	2.8
81.07044	4.3
83.04989	0.7
83.08619	0.5
85.02898	6.2
86.09699	6.0
87.04449	0.6
87.10040	1.1
91.03944	3.7
91.05480	5.5
93.07038	5.6
95.04977	1.5
95.08598	2.7
97.02888	4.9
98.21530	0.8
99.04476	1.0
101.02376	2.1
104.10743	0.3
105.07027	4.3
107.08576	2.5
109.02874	0.7
109.10174	1.2
109.32604	0.3
111.08070	0.4
115.03920	0.5
117.07048	0.5
119.08572	3.0
121.10186	1.6
124.99978	5.2
127.03930	1.5
129.07031	1.1
131.08594	1.5
133.10146	2.1
135.11697	1.1
145.04924	0.3
145.10114	0.8
147.11742	1.9
149.13312	0.5
156.44423	0.4
157.10173	0.6
159.11659	0.5
161.13229	0.4
173.13214	0.4
175.11224	0.5
184.07332	22.6
185.04260	0.9
185.07709	3.4
193.12265	1.0
197.85983	0.3
201.03764	0.5
203.05276	0.7
211.13329	0.3
213.46840	0.3
243.08368	3.4
251.12531	1.8
259.20706	0.8
301.08804	1.7
315.10580	0.5
333.24304	0.5
349.16425	0.5
385.18243	0.5
396.49619	0.4
443.18912	0.8
465.20959	0.9
469.20490	7.0
470.20587	0.5
527.24261	0.3
535.28705	8.3
536.28937	0.4
541.22644	1.5
569.26312	0.5
693.34894	0.6
745.44995	0.4
763.42291	100.0
764.42670	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	763.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01863	2.1
59.04994	1.0
64.18943	0.5
65.03928	4.2
67.01865	0.9
67.05503	3.5
67.50854	0.5
68.99785	5.5
69.03424	0.8
69.07049	1.4
69.70345	1.2
69.70760	2.3
71.04996	1.4
77.03941	1.4
79.05481	3.8
81.03408	2.6
81.07047	7.5
85.02898	1.7
89.03903	2.0
91.05478	1.7
93.03395	4.0
93.07044	3.3
95.04967	3.9
95.08616	1.8
97.06516	2.2
98.20821	0.6
98.21356	1.4
99.04442	1.0
101.78054	0.7
103.05468	1.0
105.03364	1.0
105.07028	2.4
107.04959	4.9
107.08585	0.6
109.02870	2.7
109.06464	0.6
111.00789	4.3
111.04438	20.2
117.03365	2.0
119.04936	1.3
121.02848	2.5
121.06523	0.9
121.10134	14.5
123.04420	98.1
123.11694	3.7
124.04743	1.4
125.05961	1.6
127.03909	71.7
129.07002	1.1
131.04958	2.9
133.06450	0.9
135.04405	70.4
136.04727	0.9
137.02336	4.7
137.05951	1.8
139.03893	100.0
139.11197	2.2
140.04190	1.2
141.06966	1.1
143.04924	0.8
143.10710	0.8
145.06499	0.8
147.04413	6.7
149.02350	7.7
149.05988	2.3
149.09624	1.5
151.03897	32.8
153.01785	4.1
153.06982	0.6
155.04893	1.3
157.06439	1.1
159.04405	3.1
161.06004	3.1
163.03891	43.9
164.04330	0.7
165.05545	3.1
165.06703	0.7
167.03383	7.6
167.07007	1.3
167.10651	3.8
169.06483	1.7
173.05981	5.1
175.03938	4.4
175.07481	0.9
177.05463	5.9
179.03380	9.4
181.04999	1.1
181.06448	1.0
183.04387	1.9
185.05998	2.2
185.11705	1.9
187.03864	5.7
189.05469	4.3
191.03384	12.6
193.04959	5.0
197.05956	3.9
199.03918	0.6
201.05453	9.5
203.03401	11.3
203.07053	2.5
205.04979	2.4
207.06540	0.8
211.03995	0.8
213.05391	3.3
214.05792	0.7
215.03442	1.3
215.06995	3.5
217.04980	2.5
219.06422	1.1
225.05438	2.5
229.04939	10.3
231.06471	4.1
233.04405	5.5
237.05432	0.9
241.04988	2.6
243.06482	3.8
245.04408	6.2
247.06012	32.3
249.66154	0.7
251.05495	1.4
253.05025	1.3
255.06494	2.5
257.04413	14.5
258.05057	0.7
259.06012	11.2
260.06183	0.7
261.07571	8.2
265.04916	1.0
268.60962	0.6
269.04379	4.0
271.05988	32.9
272.06152	1.3
273.07535	5.4
275.05447	10.1
283.06039	10.7
285.07507	1.2
287.05484	24.2
289.07053	49.4
290.07437	1.0
291.08575	4.8
295.06009	0.9
299.05389	5.7
301.07031	16.8
303.05008	1.4
303.08670	0.8
313.06958	0.7
317.06601	1.3
319.06955	1.1
379.08142	1.0
391.08020	2.8
393.09518	3.3
409.09143	26.3
410.09390	1.3
411.10614	1.2
421.09097	1.5
427.10278	9.7
433.09003	0.7
435.10727	1.2
439.09995	3.5
543.12268	1.3
561.14282	0.8
579.14667	2.0
593.19775	2.0
611.20734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.1
55.05511	0.2
56.05033	0.5
58.06630	0.5
59.07384	0.2
60.08161	6.5
65.20237	0.1
67.05519	0.4
69.03452	0.1
69.07063	0.2
69.31755	1.1
71.07371	3.3
79.05486	0.4
81.03410	0.3
81.07059	0.3
85.02902	0.2
86.09702	30.3
87.10032	0.3
91.05482	0.4
93.07047	0.3
95.04962	0.1
95.08604	0.3
98.98465	2.8
101.58559	0.1
104.10734	2.7
105.07030	0.4
107.08611	0.3
109.10135	0.2
117.07062	0.1
119.08579	0.2
120.04483	0.1
124.99996	19.8
126.00298	0.1
133.10132	0.3
143.01041	0.3
145.10130	0.2
147.11694	0.2
149.02393	0.1
149.13254	0.2
150.21739	0.1
161.09828	0.1
184.07330	100.0
185.07715	1.1
186.07715	0.2
406.08539	0.1
468.23184	0.3
539.30066	0.1
601.14471	0.2
646.37714	0.2
674.36554	1.7
728.44891	2.0
744.43628	0.3
762.41174	0.2
763.41003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05033	0.7
58.06623	0.6
59.07389	0.2
60.08162	6.1
67.05493	0.3
69.07064	0.1
69.60473	0.7
71.07367	3.1
79.05486	0.4
81.03419	0.2
81.07056	0.4
83.08630	0.1
86.09701	30.7
87.10036	0.3
91.05484	0.3
93.07034	0.4
95.04965	0.2
95.08589	0.1
98.98460	2.9
104.10734	2.5
105.07024	0.2
107.08601	0.1
109.10168	0.1
117.07069	0.1
119.08556	0.1
124.99996	18.9
126.00310	0.1
131.08521	0.1
133.10104	0.1
135.77654	0.1
143.01044	0.3
166.02765	0.1
184.07329	100.0
185.07657	0.7
195.41397	0.1
222.09074	0.1
309.07538	0.1
554.54492	0.1
646.36194	0.2
674.36591	2.0
728.44812	1.8
729.44751	0.1
744.44165	0.8
745.44183	0.1
762.44666	1.2
763.41333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.2
56.05032	0.8
58.06607	0.4
59.07382	0.2
60.08158	6.0
67.05481	0.5
69.07053	0.2
71.07365	3.4
79.05479	0.5
81.03403	0.3
81.07039	0.5
83.08594	0.2
85.02889	0.1
86.09698	30.1
87.10024	0.3
91.05500	0.6
93.07015	0.5
95.04949	0.2
95.08607	0.3
98.98458	3.2
102.39938	0.1
104.10735	3.3
105.07026	0.3
107.04917	0.2
107.08582	0.3
109.10105	0.2
117.06972	0.1
119.08553	0.2
121.10152	0.1
124.99990	20.0
131.08539	0.1
133.10104	0.1
135.11774	0.1
143.01057	0.3
147.11737	0.1
184.07323	100.0
185.07663	0.8
241.04851	0.1
255.15988	0.2
307.05957	0.2
491.07635	0.1
662.36517	1.4
726.42999	0.3
744.44330	1.0
762.45502	4.1
763.45831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01864	0.7
55.05503	1.5
56.49661	0.4
57.03436	2.0
58.85812	0.4
61.02925	3.6
65.03972	0.4
66.15277	0.3
67.05498	4.4
69.03432	2.9
69.07059	2.6
71.01360	0.6
71.04974	0.9
71.52297	0.6
72.81718	0.4
73.02913	3.2
79.05489	4.3
81.03423	3.8
81.07053	4.2
83.04987	1.7
83.08634	1.4
84.50837	0.3
85.02893	5.6
86.09700	1.6
91.03946	1.6
91.05481	5.7
93.07046	3.9
95.04973	2.0
95.08594	2.1
96.00753	0.3
97.02893	3.4
97.06533	1.0
97.10165	0.4
98.98469	0.4
99.04436	0.7
101.02380	1.4
103.05447	0.4
105.07036	3.9
107.04959	1.4
107.08566	1.7
109.02908	0.9
109.06525	0.6
109.10155	1.0
111.08101	0.7
117.07036	1.0
119.08570	2.7
121.10149	1.3
123.08100	0.5
125.00009	1.2
126.88413	0.3
127.03940	1.3
128.06223	0.3
129.07025	1.4
131.08585	1.5
133.10132	2.3
135.08064	0.4
135.11722	1.2
137.09618	0.8
138.67387	0.4
145.10159	0.9
147.11667	2.1
149.09639	1.3
154.66342	0.4
157.10165	1.1
159.11627	0.4
161.13339	0.4
163.11185	0.4
165.12723	0.4
171.16423	0.4
175.11203	0.8
179.14354	0.6
184.07365	4.5
185.04128	0.5
185.07756	0.6
193.12273	1.3
243.08351	2.6
259.21118	0.5
275.20074	0.6
307.15256	0.4
315.19318	3.8
316.19351	0.4
371.21829	1.0
469.20453	11.1
533.27100	4.3
761.40723	100.0
762.41028	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05511	4.0
57.03432	3.2
57.06675	1.0
57.07080	0.9
57.28422	0.9
58.44961	0.9
60.08195	0.9
61.02927	3.9
64.56065	1.0
67.05504	12.8
69.03432	4.2
69.07056	4.6
71.05003	2.0
71.51289	1.4
73.02918	4.0
79.05495	9.1
80.05857	1.1
81.03411	6.0
81.07056	12.0
83.04974	2.3
83.08613	1.9
85.02894	6.7
85.06522	1.0
86.09715	2.8
91.03973	3.0
91.05473	11.1
93.07054	10.5
95.04977	4.0
95.08611	3.8
97.02893	4.4
97.06528	2.0
99.04448	1.4
101.02381	1.3
105.07034	11.8
106.07371	2.1
107.04973	2.3
107.08588	9.1
108.08889	1.0
109.06556	2.3
109.10155	7.9
110.10480	1.8
111.08120	1.9
113.73617	0.8
117.07034	2.6
119.08575	6.0
121.10175	3.0
125.00015	1.6
127.03920	1.9
129.06999	1.2
131.08595	2.8
133.06546	1.4
133.10153	9.8
134.10487	2.6
135.11746	3.4
145.10143	3.7
147.11736	2.6
149.09641	1.3
149.13289	1.3
151.11203	3.7
152.11555	1.2
159.11710	2.3
161.09712	1.0
161.13223	1.3
163.11194	3.1
171.11749	1.1
173.13272	0.9
184.07352	6.6
193.12184	0.9
198.88144	0.9
211.13315	1.3
243.08528	2.7
253.14406	7.9
254.14796	3.9
259.20648	2.4
260.21021	1.6
269.17444	1.1
271.15494	2.3
272.15912	1.8
288.41394	1.3
333.24249	1.0
465.28229	1.0
466.28760	1.4
467.18918	9.2
469.20447	2.5
530.35596	2.5
533.27502	1.0
535.28815	3.2
705.32861	1.0
761.40741	100.0
762.41583	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	761.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01875	0.8
55.05505	1.3
57.03436	1.7
59.05001	1.6
61.02929	4.2
63.54857	0.4
64.05313	0.4
64.90602	0.4
65.03942	0.6
67.05504	3.2
69.03436	2.8
69.07070	1.8
69.26726	4.0
71.01333	0.5
71.04996	2.6
71.05322	0.4
73.02915	3.1
79.05509	4.4
81.03426	7.2
81.07056	4.4
83.01390	0.5
83.04985	1.2
83.08626	1.4
85.02908	4.2
85.06552	0.9
86.09725	0.5
87.04441	0.6
91.03967	2.9
91.05473	5.5
93.07050	4.6
93.08179	0.4
95.04968	3.0
95.08601	2.7
97.02885	4.4
97.06544	2.0
97.10170	0.5
98.21541	0.9
99.04462	1.2
101.02380	0.9
103.03949	0.7
103.05496	0.6
105.07047	4.2
107.04956	1.7
107.08585	2.6
107.41771	0.4
109.02891	1.2
109.06552	1.2
109.10175	1.5
111.04472	0.7
111.08070	0.8
115.05473	0.7
117.07008	0.5
119.04968	0.5
119.08614	2.6
121.06532	0.5
121.10148	3.9
123.04444	1.6
123.08068	0.9
123.11671	0.6
125.05976	0.5
127.03928	1.9
129.06985	0.9
131.04958	1.1
131.08566	2.5
133.02878	0.9
133.06456	0.6
133.10147	2.0
135.08127	0.5
135.11740	0.7
137.06023	1.9
137.09584	0.5
137.13110	0.5
138.44778	0.4
139.03888	0.7
142.07765	0.5
145.06474	0.6
145.10147	1.2
147.04425	0.9
147.08075	0.8
147.11685	2.5
149.06079	0.5
149.09619	2.9
151.03944	1.9
151.07588	1.0
151.11214	0.9
153.01819	0.7
153.05580	0.6
157.10147	2.4
159.08081	0.7
159.11697	0.8
161.06049	0.6
163.03914	0.9
163.07544	0.7
163.11179	0.8
165.05569	0.6
165.09154	0.7
165.12817	0.7
167.07060	2.3
175.07536	0.6
175.11276	1.3
177.05502	0.6
177.08894	0.5
181.04994	1.4
184.07437	1.4
187.22609	0.4
191.03435	1.0
191.07092	1.7
193.12239	2.8
197.15355	0.6
203.05200	0.5
203.07036	0.6
206.63310	0.5
207.06570	1.0
207.13831	0.7
213.05525	0.5
225.14941	1.4
241.08884	0.6
243.08313	2.7
263.16687	0.5
267.15933	1.7
283.15140	5.8
303.05057	0.6
339.18030	1.7
469.20682	0.9
483.22366	0.5
501.23080	29.1
502.23615	0.9
565.21118	0.8
701.37244	0.7
702.36755	0.5
761.39307	100.0
762.39850	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	761.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.56549	0.4
55.01873	0.8
55.05502	1.5
57.03435	2.2
60.08172	0.4
61.02924	4.4
65.03957	0.3
67.05502	4.0
67.11374	0.3
67.67657	0.4
69.03425	3.3
69.07059	2.9
70.19469	0.3
71.01353	0.4
71.04994	0.8
71.51324	0.6
73.02907	2.7
79.05495	4.3
81.03418	3.9
81.07048	4.3
83.04979	1.1
83.08611	1.5
85.02902	6.0
86.09702	2.2
91.03979	2.2
91.04453	0.3
91.05473	4.7
93.07049	3.9
95.04967	1.9
95.08602	2.5
97.02889	3.9
97.06532	0.8
99.04439	0.8
101.02377	1.4
103.03976	0.4
105.07022	4.3
107.04961	1.6
107.08563	1.6
109.02872	0.8
109.06517	0.6
109.10163	0.6
111.08064	0.5
113.06015	0.6
115.03873	0.3
117.07049	1.1
119.08568	2.9
121.06500	0.6
121.10145	1.1
123.08091	0.6
125.00021	1.4
125.88549	0.4
127.03916	1.2
129.07022	1.0
131.08582	1.9
133.10135	3.0
135.08069	0.4
135.11731	0.5
136.12094	0.4
143.08577	0.5
145.10158	1.1
145.20618	0.3
147.11697	1.7
149.09622	0.7
149.13362	0.4
157.10149	1.3
159.11699	0.5
161.13252	0.5
163.11201	0.5
175.11237	0.7
179.14365	1.0
184.07330	7.5
185.04184	0.4
185.07774	0.7
193.12305	1.4
203.05252	0.5
211.13322	0.7
243.08405	2.8
251.12404	0.4
275.20169	0.8
315.19351	4.1
371.22012	0.8
469.20432	10.8
533.27271	5.3
534.28204	0.5
547.40942	0.3
761.40747	100.0
762.41010	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	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.55185	1.9
55.01862	5.1
55.05511	23.6
57.03438	19.0
57.07060	2.7
59.05012	2.2
60.08152	3.8
61.02925	6.3
65.03937	4.9
67.05503	100.0
69.03433	4.4
69.07067	18.5
71.04987	41.8
71.08649	2.3
71.52947	3.9
71.53333	2.2
73.02918	2.5
73.65708	2.3
75.50162	2.0
76.45007	2.1
79.05489	59.7
81.03406	8.3
81.06590	4.2
81.07053	57.5
83.04970	9.6
83.08611	13.7
85.02907	5.2
85.06524	7.0
86.09712	12.4
87.96976	2.1
88.88281	1.9
91.05474	59.6
93.07037	71.6
95.04955	10.2
95.08600	41.6
96.08923	2.4
97.02897	5.6
97.06516	10.8
97.10188	3.4
99.08084	4.4
105.07028	53.3
107.04893	2.6
107.08586	37.3
109.06492	5.5
109.10155	53.1
111.08083	4.9
117.07017	21.2
119.08578	60.6
121.06516	2.8
121.10131	22.5
123.08087	5.1
123.11708	3.6
124.99989	7.1
125.09621	4.9
128.06200	2.1
129.06998	7.3
130.07834	1.9
131.08582	20.1
133.10132	30.0
135.08041	4.4
135.11678	25.0
137.09604	14.3
139.11209	2.8
143.08574	12.3
145.10127	26.6
147.11685	20.1
149.09573	3.0
149.13245	8.9
151.11168	3.6
155.08557	5.1
157.10143	10.2
159.11685	17.6
161.09631	2.3
161.13252	15.6
163.11218	5.1
163.14754	4.8
169.10136	2.5
169.12190	3.3
171.11646	14.4
173.11752	5.5
173.13303	10.5
175.14810	5.4
177.12703	2.4
181.10069	3.3
183.11670	3.6
184.07356	35.5
185.13243	8.1
187.13309	2.3
187.14854	4.9
195.11691	4.4
197.13374	2.6
199.13199	2.3
199.14853	5.4
209.13208	2.0
211.13240	3.7
211.15044	2.6
229.14377	6.0
231.21133	4.2
241.19536	9.3
243.15887	8.1
255.15884	6.3
256.22833	2.4
257.18912	4.5
259.20584	29.4
261.22128	2.2
269.17450	7.7
275.20056	4.1
285.16901	5.9
285.22061	3.1
287.18536	25.0
301.21832	2.7
315.23215	6.1
333.24249	22.4
335.25824	4.1
377.28409	2.7
395.29440	6.2
403.29364	2.4
421.30957	6.8
463.30453	11.2
469.33008	5.4
487.34164	68.3
489.35620	3.0
495.34851	4.1
513.35785	43.1
519.36542	7.0
531.36646	6.1
545.30426	3.4
545.38263	28.3
760.39502	27.4
761.39404	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	760.482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01873	3.3
55.05515	12.6
57.03437	10.2
57.07064	2.5
60.08150	6.0
65.03923	2.8
67.05502	36.7
67.26032	1.5
68.05814	1.6
69.03436	4.2
69.07059	12.7
70.56621	4.4
71.01349	2.2
71.04988	3.7
71.07365	4.5
73.02905	1.9
79.05486	31.5
80.05833	1.7
81.03410	20.0
81.07045	30.4
81.07478	2.7
82.07381	1.9
83.04973	7.0
83.08599	11.4
83.78558	1.5
85.02889	7.4
85.06540	4.1
86.09699	29.6
91.05476	27.6
93.07031	30.2
93.49775	1.6
94.07378	1.9
95.04966	9.9
95.08600	20.2
97.02885	2.9
97.06529	6.2
97.10160	5.6
99.08102	2.4
105.07025	16.2
106.07360	2.0
107.04942	3.4
107.08601	21.4
108.08892	1.7
109.06488	2.4
109.10156	8.6
111.08077	5.0
115.05469	1.8
117.07010	6.4
119.08582	14.6
121.06506	2.8
121.10108	13.2
121.81915	1.3
123.08067	3.5
123.11733	2.8
125.00002	22.4
125.09643	4.1
129.07019	6.4
131.08569	9.7
133.10094	9.9
135.11682	18.7
137.09644	1.9
143.08499	2.4
145.10091	7.8
147.11707	7.8
149.09546	2.4
149.13268	6.3
155.08534	2.0
157.10165	3.8
159.11647	4.7
161.13252	2.2
163.11180	5.5
163.14857	2.8
171.60823	1.5
173.13281	2.7
175.11215	3.3
175.14876	1.7
175.60606	1.4
181.12247	6.3
184.07329	100.0
193.12245	9.0
211.13170	9.3
227.12885	2.6
243.21008	5.0
249.10991	1.9
253.14143	1.9
255.15968	13.5
259.20795	1.9
260.20724	2.1
261.22107	9.0
267.15799	8.1
275.19833	2.1
277.21381	1.5
285.17029	13.0
294.21729	1.6
317.24487	2.2
334.24539	2.1
335.25751	20.4
389.94797	1.9
423.27457	3.5
435.27280	3.9
435.32614	2.3
449.28815	2.1
453.33383	2.5
464.31018	2.1
527.37396	18.9
528.37994	2.2
535.28253	1.8
545.38330	32.6
546.38678	2.4
563.36639	2.6
742.46106	4.0
761.40894	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01872	2.6
55.05511	11.3
55.75653	1.2
57.03432	6.3
57.07066	1.2
59.20613	1.2
60.08155	4.8
61.02930	2.0
65.03922	1.7
67.05504	30.2
68.05850	2.2
69.03435	2.5
69.07069	8.6
69.98502	4.1
69.98926	2.3
70.74152	1.4
71.05003	2.1
71.07368	4.4
71.08652	1.2
79.05491	19.7
81.03418	22.9
81.07052	28.3
83.04974	5.8
83.08615	9.1
85.02926	7.9
86.09703	30.1
90.66220	1.2
91.05486	21.0
93.07047	24.7
95.04955	10.3
95.08606	18.5
97.02885	1.8
97.06537	2.9
97.10162	2.9
98.98444	2.9
104.10742	2.6
105.07018	16.2
107.04922	3.5
107.08598	13.1
109.06453	3.1
109.10149	7.5
111.08071	3.8
117.07019	4.2
119.08578	11.7
121.10169	10.0
123.08024	1.6
123.11685	2.2
124.99997	20.9
129.07016	4.0
131.08559	9.0
133.10127	9.3
135.11681	6.3
137.09564	1.4
143.08601	2.1
145.10114	10.2
147.08086	1.4
147.11647	7.7
149.09644	2.7
149.13242	2.8
151.14854	1.4
155.08539	1.4
157.10158	4.8
159.11711	4.3
161.13199	2.7
163.14816	2.7
173.13239	2.6
175.11133	4.8
175.14810	1.2
184.07339	100.0
185.07687	2.4
186.07716	1.3
187.14806	2.1
193.12207	12.7
199.14772	1.5
209.55937	1.4
211.13289	14.6
227.12746	2.1
229.14331	2.2
243.21034	4.2
255.15736	1.9
259.20505	2.1
261.22113	8.5
267.15887	10.5
269.17404	2.4
285.16989	18.3
335.25787	18.0
425.65359	1.5
435.32645	4.7
453.33398	4.5
465.30994	2.2
471.34579	2.8
527.37238	20.1
545.38373	33.0
545.46735	2.1
672.34369	1.9
757.05475	1.5
761.41022	8.1
781.79578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05513	0.5
56.05027	0.5
57.89355	0.1
58.06623	0.4
59.03590	0.1
60.08162	6.1
67.05497	1.4
69.03419	0.3
69.07063	0.6
70.06606	0.2
70.49039	0.5
71.07368	3.0
79.05480	0.7
81.03410	0.5
81.07061	1.2
83.04978	0.1
83.08608	0.2
85.02906	0.3
86.09702	29.4
87.10044	0.4
91.05467	1.2
93.07034	0.8
95.04964	0.5
95.08599	0.5
98.21470	0.2
98.98454	2.8
104.10735	2.6
105.07040	0.9
107.04992	0.2
107.08588	0.6
109.06503	0.3
109.10163	1.0
111.08015	0.2
117.06985	0.2
119.08571	0.7
121.10194	0.2
123.07979	0.1
124.99998	18.0
125.09615	0.3
129.06953	0.2
131.08537	0.3
133.10132	1.2
135.07951	0.2
143.01025	0.2
143.08533	0.2
145.10156	0.4
147.08005	0.2
147.11621	0.2
149.09622	0.2
149.13208	0.2
151.11179	0.5
159.11661	0.2
163.11214	0.2
166.02711	0.1
171.11752	0.2
184.07330	100.0
185.07700	1.4
224.72495	0.1
238.82880	0.2
253.14337	1.9
269.17520	0.3
271.15421	0.6
275.19879	0.2
381.57104	0.2
465.28363	0.8
545.34460	0.3
563.35529	0.2
674.36603	2.1
726.43689	0.9
742.42517	0.6
760.43707	1.4
761.41742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.1
55.05503	0.3
56.05031	0.8
57.03444	0.2
58.06624	0.5
59.07395	0.2
60.07850	0.3
60.08158	6.4
63.26813	0.1
67.05493	0.9
69.03417	0.3
69.07069	0.2
69.27240	0.3
69.27640	1.1
70.06623	0.1
71.04976	0.2
71.07366	3.1
76.37407	0.1
79.05494	0.7
80.97455	0.1
81.03428	0.4
81.07045	0.8
83.04984	0.2
83.08622	0.3
86.09698	30.2
87.10032	0.3
91.05489	0.7
93.07014	0.6
95.04939	0.3
95.08577	0.3
96.32965	0.2
97.02901	0.2
97.06550	0.2
97.10151	0.3
98.98456	3.0
98.99059	0.3
103.44701	0.1
104.10735	2.6
105.07025	0.8
107.04968	0.2
107.08598	0.3
109.06504	0.3
109.10139	0.5
117.07010	0.2
119.08555	0.3
121.10194	0.1
124.99993	20.1
125.09661	0.1
127.03953	0.1
129.06982	0.1
131.08543	0.1
131.15411	0.1
133.10138	0.7
135.11668	0.2
143.01025	0.3
147.11711	0.1
151.11171	0.3
166.02733	0.2
184.07324	100.0
185.07698	1.2
186.07785	0.1
189.11273	0.1
211.13252	0.3
227.12691	0.3
247.04932	0.1
253.14337	0.9
271.15323	0.3
349.23456	0.2
468.23315	0.2
545.34656	0.3
597.20642	0.1
674.36432	2.2
726.43146	1.0
742.43091	0.3
760.43579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	0.7
55.05516	1.9
56.05054	0.4
57.03433	2.3
57.07082	0.3
61.02924	5.2
62.11612	0.3
65.03947	0.4
67.05504	6.1
69.03426	2.4
69.07065	2.2
71.01350	0.5
71.04994	0.7
73.02916	2.6
77.03918	0.3
79.05492	7.1
79.05923	0.6
80.05843	0.3
81.03431	1.9
81.07052	6.2
82.07381	0.5
83.01098	0.3
83.04996	0.8
83.08630	1.1
85.02908	4.5
85.03387	0.5
85.06551	0.4
86.09696	0.5
86.89943	0.3
91.03947	2.7
91.05474	6.1
93.07041	7.6
94.07391	0.4
95.04965	1.5
95.08604	3.7
96.08926	0.4
96.33160	0.3
97.02880	4.2
97.06544	1.0
97.10166	0.7
98.21555	0.6
99.04484	0.5
101.02381	1.5
105.07023	4.6
107.04955	0.6
107.08578	3.8
108.08986	0.4
109.02851	0.5
109.06543	0.5
109.10159	1.3
117.07033	1.6
119.08569	3.8
120.08923	0.4
121.10127	1.8
123.08080	0.4
123.11749	0.4
127.03925	1.2
129.05528	0.5
129.07005	1.4
131.08545	1.5
133.10115	2.7
135.11729	1.4
143.08595	0.8
145.10098	1.4
147.08057	0.3
147.11684	2.6
149.09686	0.4
149.13281	1.1
150.13606	0.6
156.09337	0.3
157.10104	0.3
159.11723	1.4
161.13188	0.6
163.14943	0.4
166.90237	0.3
171.11693	1.1
173.13203	0.4
175.14883	0.4
178.13094	0.3
184.07338	1.8
185.04262	0.9
187.90103	0.3
195.13870	0.4
203.05261	0.5
207.13919	0.4
241.55232	0.3
243.08430	3.2
247.13211	1.2
259.20724	0.7
269.17294	1.5
270.17801	0.6
281.17526	0.4
301.09015	1.1
303.15723	0.6
315.10541	0.9
333.24292	0.5
334.24591	0.5
345.16553	0.4
357.15106	0.3
373.11273	0.6
397.18344	0.6
437.21609	0.4
464.30869	0.8
465.20929	10.3
495.22211	0.8
528.37598	0.7
535.28705	6.1
537.22803	1.7
544.36444	0.5
551.25195	0.5
621.32837	0.6
689.34637	0.4
759.42822	100.0
760.43152	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05516	4.3
57.03434	1.4
57.07063	2.4
59.16986	0.5
60.08164	1.3
67.05505	5.4
69.03432	3.3
69.07057	2.9
71.04989	14.7
71.07373	0.9
71.08633	0.6
71.52549	1.1
73.02901	1.2
73.06555	2.8
79.05492	4.8
81.03413	0.6
81.06645	0.8
81.07048	6.9
83.04965	2.3
83.08617	3.8
85.02911	0.7
85.06541	8.8
86.09702	8.1
91.05466	4.6
93.07032	4.8
95.04950	0.8
95.08593	5.4
97.02884	2.7
97.06513	0.8
97.10160	7.5
98.98433	0.9
99.08047	0.9
104.10712	1.1
105.07027	4.0
107.08581	20.9
108.08906	0.8
109.10143	4.7
110.10493	0.8
111.08072	0.9
115.03928	0.9
117.07034	1.3
119.08556	4.9
121.10146	4.2
123.11685	1.2
124.99992	5.0
125.09621	30.4
127.11229	1.4
131.04898	0.6
131.08562	2.3
133.10101	3.9
135.11682	4.1
137.13283	0.8
143.10661	100.0
144.11017	1.4
145.10144	3.4
147.11674	4.8
149.13268	1.4
157.10036	0.9
159.11710	3.7
161.13297	1.6
163.14749	1.1
173.13240	2.1
175.14761	0.8
184.07332	27.3
187.14835	3.6
189.16391	3.2
191.17882	4.0
201.16353	0.7
202.45396	0.5
203.17924	1.3
205.19365	0.6
207.17438	3.8
211.11537	0.5
213.16463	0.7
215.17975	1.8
233.19028	2.4
269.17465	1.6
285.16843	0.6
335.25797	1.1
423.36209	4.8
441.37231	9.6
459.38159	2.2
462.66599	0.6
463.30576	0.8
488.58731	0.6
496.15399	0.6
504.38171	0.7
543.36224	0.9
724.44904	0.6
759.39227	0.7
767.04810	0.6
777.70300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01860	3.6
55.05511	26.7
57.03438	18.5
57.07059	2.9
59.05016	2.3
61.02920	6.1
65.03944	2.2
67.05503	76.4
68.03806	2.0
68.60539	2.2
69.03421	12.2
69.07066	26.9
71.04990	7.9
71.08626	14.9
79.05029	2.6
79.05490	63.4
81.03416	47.0
81.07053	100.0
82.07391	3.6
83.04977	16.6
83.08619	26.9
85.02903	19.1
85.06547	6.8
86.09698	9.0
87.04440	2.1
91.05481	61.8
92.05785	2.4
93.07040	77.0
95.04960	22.8
95.08600	41.1
97.02880	7.2
97.06522	14.5
97.10167	8.7
99.04444	2.6
99.08089	14.0
105.07030	41.3
107.04932	6.4
107.08588	48.1
109.02892	4.6
109.06517	9.4
109.10146	13.9
111.04376	2.2
111.08090	11.6
113.05923	2.4
113.41453	2.1
117.06982	14.3
119.08567	30.2
121.06522	3.2
121.10149	25.1
123.08054	4.1
123.11681	3.1
125.00021	7.0
125.09650	3.9
127.03899	3.6
129.07014	9.3
131.08556	16.6
133.06505	2.9
133.10107	27.5
135.08029	4.3
135.11678	26.1
137.09631	3.4
141.06976	2.4
141.09048	2.4
142.07787	2.3
143.08531	4.6
145.10127	11.3
147.08069	3.5
147.11661	15.8
149.09624	8.2
149.13225	15.1
151.11188	9.5
157.10110	10.5
159.11697	15.2
161.13231	9.6
163.11185	7.6
165.12772	4.6
171.11613	4.3
173.04546	5.1
173.13304	3.6
175.11214	7.4
175.14871	2.7
177.12724	6.9
179.14314	49.2
184.07343	28.4
189.12782	2.6
193.12259	18.0
195.13834	17.6
207.13750	3.8
211.13275	25.2
216.94661	2.1
217.23769	2.0
227.12720	4.7
228.13203	2.6
235.16963	2.8
242.31706	2.3
251.16425	2.9
255.15881	4.4
257.19003	2.8
259.20517	7.3
267.15945	27.0
269.17459	50.9
270.17865	2.7
275.20062	8.5
277.21625	40.2
280.19168	1.9
282.17926	3.5
285.16953	70.7
286.17328	2.7
295.23120	2.3
326.79129	2.3
333.24258	3.6
349.23724	10.8
351.25323	29.7
367.24689	4.6
396.19928	2.4
413.21896	2.5
449.28949	14.8
452.27249	3.4
463.30527	60.0
464.30844	4.6
465.06870	2.7
543.36743	61.2
544.37097	6.9
561.37830	83.6
562.38031	7.4
607.34906	4.8
759.39563	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01874	8.6
55.05510	27.5
56.05849	1.1
57.03436	13.7
57.07074	2.8
59.05002	1.1
61.02924	6.1
65.03939	5.0
67.05503	80.3
68.05831	2.1
69.03421	7.5
69.07065	36.5
69.31300	9.3
71.01343	1.4
71.04990	6.5
71.08605	2.0
73.02891	2.4
79.05492	61.7
79.84033	1.0
80.05782	1.5
81.03416	16.3
81.07052	100.0
82.07385	1.8
82.14302	1.1
83.04977	14.2
83.08613	21.9
85.02907	9.9
85.06538	4.2
86.09693	4.9
91.03944	1.9
91.05476	48.5
92.05801	2.8
93.07040	77.6
94.07351	2.2
95.04973	12.6
95.08604	34.3
97.02885	4.6
97.06521	18.3
97.10175	8.0
99.04443	2.0
99.08086	5.1
103.05445	1.4
105.07026	38.0
106.07350	1.8
107.04944	6.8
107.08588	45.8
108.08945	1.8
109.02861	2.1
109.06509	6.7
109.10152	10.5
111.08082	8.8
115.05399	1.3
117.07015	16.1
119.07818	1.7
119.08580	19.9
120.08926	1.6
121.06501	4.0
121.09328	2.2
121.10139	25.4
123.08057	3.2
123.11676	5.3
124.99982	4.4
125.09610	8.6
127.03874	1.8
128.06218	1.3
129.05530	1.4
129.06973	4.9
131.08560	19.9
133.06529	1.3
133.10126	28.1
135.08038	4.9
135.11674	20.1
137.09546	2.1
137.38364	1.1
139.11182	1.5
141.07033	1.9
143.08528	3.8
145.10088	12.8
146.10420	1.5
147.07919	1.5
147.11687	12.4
147.90842	1.1
148.11978	1.3
149.09598	9.3
149.12088	1.3
149.13245	21.8
151.11157	4.8
155.08511	2.1
157.10075	5.5
159.11696	16.2
161.09575	2.1
161.13239	4.0
163.11154	7.3
165.12808	1.8
169.10072	1.4
171.11719	3.5
173.04385	1.9
173.13257	4.0
175.11189	2.0
177.12727	7.0
179.14461	2.3
181.12169	1.9
183.11739	1.8
184.07343	18.7
185.13301	2.1
189.11220	3.8
193.12195	3.6
195.13765	16.4
197.13330	1.9
211.13295	4.4
213.14861	2.4
215.17924	1.5
227.12784	8.8
228.13138	1.4
229.14487	1.4
229.19560	1.6
239.17984	2.2
241.19647	1.5
242.19847	1.3
247.20631	1.4
251.16422	1.8
253.14243	1.8
255.15923	5.8
257.18973	6.0
259.20496	4.5
260.20981	2.9
267.15887	4.7
269.17468	90.1
270.17941	2.4
275.20029	23.1
277.21591	2.8
283.15341	3.2
284.15732	2.4
285.16937	5.8
293.20920	2.3
331.22714	3.0
333.24173	2.3
334.24655	1.8
349.23697	22.8
351.25391	2.1
365.23080	1.3
367.24994	2.2
413.21866	1.7
423.27347	1.7
439.26898	3.7
449.28986	23.8
450.30240	1.2
451.31332	1.7
461.29086	2.0
463.30539	94.7
464.30920	3.9
479.29947	3.3
525.35675	2.7
543.36700	42.5
544.37177	3.2
561.37640	10.5
563.75415	1.3
607.34784	2.8
759.39252	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01867	10.3
55.05512	25.5
57.03443	17.4
57.07056	4.1
60.08148	2.1
61.02936	9.9
65.03928	4.5
66.04689	2.0
67.05505	84.8
68.05830	2.0
69.03424	9.4
69.07070	31.5
70.07423	2.1
71.04999	8.1
71.07362	1.7
71.08624	2.4
71.51123	3.0
73.02916	6.2
78.04704	2.0
79.05492	73.9
80.06271	1.8
81.03416	15.8
81.07055	100.0
82.07374	3.4
83.04976	16.1
83.08623	18.3
85.02911	12.9
85.06554	3.3
86.09709	14.6
91.03972	2.3
91.05484	58.5
93.07045	74.2
94.04183	2.3
94.07884	2.1
95.04947	18.7
95.08610	37.3
95.09184	2.8
97.02892	10.3
97.06545	17.1
97.10169	4.9
99.04446	3.4
99.08093	5.1
103.05451	2.9
104.10786	2.1
105.04559	1.9
105.07026	43.5
105.07697	3.2
106.97138	1.6
107.04977	8.9
107.08590	43.3
109.02866	1.9
109.06535	7.6
109.10149	12.7
111.04436	3.8
111.08071	9.7
115.05408	3.1
117.07013	23.1
119.08575	32.0
121.06525	8.4
121.10147	27.7
122.07232	1.7
123.08091	6.5
123.11733	6.8
125.00014	10.3
125.09641	5.0
127.03907	4.3
128.06204	3.5
129.05493	11.7
129.06995	10.3
131.04929	2.5
131.08551	24.6
133.10120	30.5
135.08063	4.2
135.11710	16.7
137.09627	4.0
143.08554	9.0
145.06482	2.7
145.10135	18.8
147.08128	2.4
147.11688	18.0
149.09648	7.9
149.13246	20.0
151.11201	5.5
157.10164	7.3
159.11716	18.0
161.09641	1.7
161.13301	11.2
163.11205	6.2
169.10129	3.8
171.11722	10.4
173.11902	1.8
173.13275	7.2
175.14795	1.7
177.12823	7.2
179.14351	5.0
183.11707	2.2
184.07336	39.7
185.11772	4.2
185.13324	4.4
189.11224	2.3
189.12732	3.6
195.12117	3.3
195.13783	15.6
197.11691	2.0
197.13321	3.6
199.14877	2.6
207.13809	6.8
213.14775	4.0
215.18019	2.1
227.12932	2.7
229.19589	2.0
239.18063	2.0
257.18979	4.1
259.20557	9.4
267.16159	3.7
269.17477	51.5
275.20111	15.0
280.16681	3.3
281.17471	12.5
283.15665	2.3
315.23221	1.7
329.24704	2.6
333.24295	7.9
335.25925	5.1
349.23770	11.8
403.28561	2.2
423.32632	3.4
446.30353	14.5
461.28854	3.0
463.30545	42.8
465.20703	2.9
466.21286	2.9
475.30371	12.2
515.37268	10.6
527.37213	7.8
543.36847	10.0
545.38489	2.6
758.41638	57.9
759.41522	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
54.69581	1.6
55.01872	13.7
55.05510	29.3
57.03436	16.9
57.07061	3.0
60.08150	3.0
61.02921	7.7
65.03922	3.8
67.05505	75.2
69.03429	12.7
69.07069	33.9
70.72421	4.0
70.72802	3.6
71.04981	7.6
71.08653	2.4
73.02913	4.4
74.96284	1.7
79.05493	66.2
80.06277	2.1
81.03429	16.2
81.07055	100.0
82.04190	1.8
83.04977	15.3
83.08617	21.7
85.02898	13.1
85.06534	8.1
86.09698	5.1
91.03942	3.7
91.05475	55.8
91.06031	3.4
92.05774	2.2
93.07042	74.4
94.04181	2.4
94.07367	2.2
95.04962	17.1
95.08604	43.8
97.02894	10.0
97.06529	18.6
97.10166	5.6
98.07320	1.9
99.08089	6.4
101.02447	1.8
103.05454	2.4
105.07024	40.0
107.04970	9.9
107.08588	46.6
108.08881	1.9
109.06529	7.3
109.10152	11.9
111.04459	1.7
111.08048	9.6
113.09671	1.9
115.05423	2.4
116.04663	1.9
117.07014	21.3
117.76862	2.1
119.08575	25.2
121.06506	8.7
121.10133	20.2
123.08057	8.9
123.11733	7.0
125.00010	4.2
125.09637	5.0
127.03925	1.9
128.06241	2.3
129.05470	14.8
129.06985	9.3
131.08551	25.8
133.10133	29.8
134.10809	2.0
135.08037	6.1
135.11697	14.5
137.09529	2.9
141.06918	3.0
143.07037	2.2
143.08551	6.6
145.10103	17.5
147.08052	2.2
147.11693	18.4
149.09607	5.7
149.13251	19.0
151.11201	3.4
157.10144	8.6
159.11687	16.4
161.09668	2.0
161.13300	8.4
163.11180	3.9
167.14452	2.4
169.10158	3.4
171.11700	7.5
173.13330	4.2
176.26614	1.8
177.12778	7.7
179.14343	3.3
183.11685	4.5
184.07343	22.0
185.09480	1.6
185.11716	4.9
185.13254	3.9
187.14766	3.0
189.12749	2.9
193.05006	1.7
195.12112	2.8
195.13806	17.7
197.13327	2.3
199.14915	2.2
207.13826	2.1
209.11678	2.5
213.14763	2.9
227.12764	3.1
229.19724	1.9
247.20676	1.7
257.19028	5.1
259.20645	3.5
267.15961	3.7
269.17456	58.1
275.20059	10.7
281.17438	6.3
285.17188	1.8
301.16495	3.1
329.24576	3.1
333.24121	6.4
335.25705	6.8
335.59390	2.1
343.21588	2.5
343.25717	2.0
345.24030	2.2
349.23785	8.8
380.16907	1.9
382.22641	2.1
441.33878	2.0
445.29636	2.9
446.30243	15.0
463.30603	36.0
475.30725	12.5
515.37231	7.9
527.37335	3.4
543.36786	11.4
707.43378	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01855	4.0
55.05506	22.3
57.03431	13.3
57.07060	3.2
61.02930	5.8
63.55636	0.9
65.03928	2.8
67.05499	78.1
68.05850	1.1
69.03419	7.0
69.07063	26.8
71.04985	6.1
71.08618	1.2
73.02905	3.2
77.03933	1.9
79.05486	62.5
81.03412	11.1
81.07049	100.0
82.07392	1.8
83.04966	15.5
83.08157	2.0
83.08614	20.3
83.46980	0.9
85.02893	8.2
85.06546	6.1
91.03949	3.5
91.05470	57.6
93.07034	74.8
94.07344	1.5
95.04964	12.1
95.08601	33.5
95.79475	0.9
97.02883	6.5
97.04604	1.1
97.06519	13.7
97.10162	3.1
99.04482	1.1
99.08084	4.6
103.05457	1.5
105.04478	1.2
105.07021	43.5
107.04916	5.6
107.07884	2.1
107.08583	39.7
108.08887	1.1
109.02854	1.3
109.06509	6.1
109.10155	10.6
111.04443	2.3
111.08089	6.8
115.05447	1.6
116.06222	1.1
117.07008	21.8
119.07703	1.6
119.08568	31.6
121.06499	4.6
121.10129	22.6
123.08074	3.4
123.11682	6.0
124.99917	1.2
125.09616	2.3
127.03905	2.8
128.06186	1.3
129.05435	2.4
129.07008	7.2
131.08553	21.7
133.06534	1.2
133.10124	35.8
135.08046	4.0
135.11679	19.0
137.09575	2.7
142.07712	1.0
143.08528	4.2
145.04947	1.7
145.10126	11.9
147.11674	20.6
149.09630	5.9
149.13242	21.8
151.11168	2.4
155.08597	2.8
157.10129	5.0
159.11665	18.4
159.12895	1.6
161.13242	11.8
163.11172	3.8
163.14839	1.5
167.14355	1.5
171.11600	5.3
173.13258	5.7
175.14832	2.8
177.12747	7.3
179.14302	1.6
183.11661	1.9
184.07341	5.6
185.13242	4.4
187.14819	1.9
191.64171	1.2
193.29039	1.0
195.13779	21.2
197.13243	1.8
199.14856	2.6
201.16374	1.1
209.11674	1.6
213.14830	2.9
229.19670	1.1
229.36356	1.1
231.21049	2.0
241.19511	9.2
247.20721	1.4
254.14644	1.2
257.19067	2.0
259.20578	26.3
261.22101	2.1
267.15741	2.8
269.17438	68.6
270.17880	2.0
275.20004	10.9
281.17526	1.5
283.15366	1.4
291.19553	1.6
301.16370	3.5
315.23145	2.8
333.24200	33.2
333.28238	1.6
334.24445	1.5
335.25735	3.6
349.23761	8.2
351.25491	1.4
360.67279	1.1
453.33627	1.9
463.24194	2.0
463.30490	29.7
464.30746	1.6
475.30444	3.0
492.02295	1.2
527.37225	21.5
543.28876	1.1
543.36340	4.8
544.76355	1.3
545.38477	4.6
546.38379	1.3
561.37201	3.4
758.41333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
54.83253	1.4
55.01858	6.1
55.05241	1.8
55.05506	29.9
57.03435	22.8
57.07070	3.4
59.19537	1.6
60.08137	1.8
61.02905	4.4
65.03926	3.6
65.49764	1.5
67.05500	71.3
69.03409	6.9
69.07070	23.7
69.30244	6.9
69.30675	8.6
71.04977	6.2
73.06550	1.9
75.89052	1.8
79.05489	78.4
81.02927	2.6
81.03413	75.9
81.07052	79.9
81.07536	3.9
83.04980	19.6
83.08613	32.1
85.02895	28.1
85.06516	4.0
86.09677	6.2
91.05474	100.0
93.07039	76.3
94.07336	2.2
95.04965	36.8
95.08598	45.5
97.02875	6.9
97.06539	7.9
97.10142	8.2
99.08075	3.1
100.90087	1.5
103.05458	3.0
105.07026	90.9
107.04949	11.6
107.08586	40.9
109.06522	7.9
109.10150	18.3
110.17019	1.6
111.04395	2.5
111.08075	12.9
113.05968	2.5
115.05460	5.4
117.07005	21.3
119.08580	77.6
121.06491	2.7
121.10126	32.8
123.08053	7.0
123.11679	6.5
124.99992	4.0
125.09606	4.8
128.06183	3.2
129.05487	1.9
129.07001	26.0
131.07611	2.6
131.08566	45.1
133.06464	4.0
133.10129	64.0
135.08076	2.5
135.11679	17.5
137.09618	3.3
141.06970	2.3
142.07761	6.7
143.08583	12.0
145.10124	25.2
147.08072	7.9
147.10509	3.2
147.11678	61.4
149.09639	9.5
149.13219	14.0
151.11183	3.1
155.08527	5.9
157.08951	2.9
157.10124	28.0
159.11673	22.4
161.09625	1.7
161.13231	25.7
163.11147	7.2
163.14906	2.1
165.12730	2.5
169.10144	5.0
171.11647	12.7
173.09628	1.8
173.13239	12.2
175.11198	18.7
175.14853	12.9
181.10088	2.0
183.11649	3.7
184.07359	19.6
185.13208	8.6
187.14844	3.5
189.12688	2.0
189.16327	2.3
193.10443	3.3
193.12230	47.9
195.11732	2.8
197.13214	2.9
199.14806	5.8
201.16393	3.3
209.13268	3.1
211.13269	64.0
212.13525	3.1
213.16313	2.4
227.12790	5.1
229.14409	3.6
231.21025	6.4
239.18080	2.1
241.19539	25.9
257.18945	4.5
259.20554	75.2
260.20889	2.3
265.14291	2.3
267.15894	22.3
269.17310	2.5
275.19974	3.8
277.21649	3.0
283.15369	4.8
285.16959	63.4
297.22003	2.4
299.23621	3.1
315.23248	8.0
321.21115	1.9
333.24234	65.7
334.24414	3.0
339.22989	1.7
415.29825	4.0
433.30743	9.7
451.31808	9.6
469.32828	5.7
480.56931	1.7
507.34366	2.4
515.37012	4.5
525.28632	2.8
525.35779	28.0
543.36823	67.8
544.36786	5.1
561.37659	3.3
576.26691	1.9
675.02747	1.9
749.26453	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	758.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01874	11.9
55.05242	1.3
55.05508	25.1
57.03434	22.0
57.07066	3.5
59.04992	1.0
61.02924	7.5
65.03943	3.5
67.05500	60.3
67.68970	0.9
69.03430	6.0
69.07064	17.5
69.54832	6.7
71.01339	1.2
71.04987	3.3
71.08619	1.5
73.02913	6.6
77.03909	1.1
79.05489	44.9
80.06258	1.0
81.03422	14.4
81.07055	58.9
82.04198	3.7
82.07371	1.3
83.04965	8.9
83.08613	14.3
85.02892	8.1
85.06547	1.8
87.04465	1.9
89.30428	0.9
91.03959	2.9
91.05475	31.8
92.05772	1.4
93.07039	42.5
94.07834	1.1
95.04962	15.1
95.08605	40.2
96.08938	1.3
97.02885	7.0
97.06523	7.4
97.10172	12.1
98.07336	4.4
98.21513	1.1
99.04414	1.5
99.08085	2.9
101.06028	2.1
105.07030	20.6
107.04980	4.6
107.08584	29.2
109.06499	3.4
109.10158	20.5
109.10855	1.9
110.10541	0.9
111.04453	1.7
111.08102	4.7
115.05438	1.6
116.04704	13.7
117.07011	8.4
119.08578	18.2
121.06506	2.8
121.10136	18.7
123.08027	5.3
123.11710	5.6
125.09625	13.4
127.03919	1.8
127.11163	1.0
128.06218	1.7
129.04512	2.0
129.05472	34.2
129.06927	5.2
129.07928	0.9
131.08563	11.9
133.06491	1.5
133.10133	15.7
135.08032	3.6
135.11691	12.2
137.09615	2.3
143.07025	9.3
143.08514	2.7
145.10094	9.8
147.08133	1.8
147.11696	10.2
149.09616	2.8
149.13286	5.9
153.09071	1.9
155.08502	2.2
157.08607	12.6
157.10117	5.7
159.11684	7.0
161.13290	5.1
163.11226	3.2
163.14845	1.9
164.11852	1.2
165.12788	2.1
169.10168	2.3
171.10159	5.2
171.11687	2.9
173.11852	2.0
173.13289	4.8
175.11205	4.1
175.14885	1.7
177.12733	1.4
180.37665	1.0
181.10048	1.8
181.12164	1.3
183.11708	2.7
184.07375	5.9
185.09724	1.0
185.11702	1.7
185.13243	2.1
187.14787	2.9
189.11212	6.6
193.12256	7.7
197.08073	1.2
197.13240	1.4
199.13271	3.6
199.14885	2.0
200.14114	3.0
201.16469	1.1
209.11604	1.4
210.12383	1.0
211.13304	4.1
217.14143	1.0
227.12724	9.5
229.14372	1.5
243.21049	3.0
259.20590	2.3
261.22089	10.6
267.15891	5.3
268.16412	1.1
269.17160	1.4
277.21616	2.1
283.15466	2.3
285.16971	2.3
301.16440	100.0
302.16745	1.6
315.22913	1.9
317.24854	1.6
335.25790	66.2
336.26126	2.7
527.37152	4.0
543.36920	1.6
545.38049	2.3
561.37805	45.0
562.38007	1.6
578.42340	1.1
595.43713	1.8
596.43982	11.9
758.48669	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	758.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
55.01882	0.2
55.05508	0.5
56.05021	0.7
56.33541	0.1
57.03432	0.4
58.06626	0.5
59.07376	0.1
60.08161	6.2
67.05499	1.2
69.07063	0.5
71.04986	0.3
71.07373	3.5
71.51405	0.2
79.05482	1.0
79.64176	0.1
81.03414	0.4
81.07056	1.6
83.04973	0.3
83.08646	0.2
86.09702	31.7
87.10039	0.4
88.21231	0.1
91.05471	1.1
93.07047	1.2
95.04984	0.4
95.08597	0.5
97.02938	0.2
97.06511	0.2
97.10183	0.1
97.58397	0.2
98.98460	3.2
104.10738	2.8
105.07030	0.7
107.04907	0.1
107.08592	0.8
109.10136	0.4
111.08028	0.1
116.99498	0.1
117.07016	0.3
119.08596	0.7
121.10144	0.4
122.16151	0.1
122.77866	0.1
124.99996	20.3
126.00243	0.1
129.07011	0.2
131.08548	0.4
133.10133	0.5
135.11665	0.3
141.05006	0.1
143.01007	0.3
145.10161	0.3
147.11629	0.3
149.09677	0.2
149.13132	0.2
159.11714	0.2
161.13289	0.2
171.11720	0.1
184.07332	100.0
185.07643	1.2
211.13217	0.2
259.20560	0.2
269.17435	0.4
275.20102	0.2
301.16165	0.2
333.24210	0.3
335.25766	0.2
443.33051	0.1
446.23154	0.2
449.28778	0.2
463.30548	0.2
485.26746	0.1
525.35193	0.1
543.36554	0.5
561.37335	0.5
670.26379	0.2
670.36993	2.4
671.37305	0.2
724.45398	2.0
725.45721	0.2
740.44519	0.3
758.42572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
53.04484	1.6
55.01866	13.9
55.05508	31.5
57.03434	26.5
57.07061	6.7
58.05758	1.5
59.04954	1.7
61.02911	7.7
65.03916	3.8
67.05502	81.9
69.03418	5.9
69.07063	21.5
71.04987	5.7
71.51583	2.1
73.02898	4.6
79.05027	2.6
79.05489	62.5
81.03416	17.9
81.07050	73.9
82.04193	3.8
83.04972	12.4
83.08611	17.5
85.02917	9.0
85.06536	3.0
86.09718	3.9
91.03958	3.3
91.05479	38.7
93.07036	58.8
95.04961	17.2
95.08604	48.2
97.02901	5.5
97.06541	10.2
97.10167	13.7
98.07314	5.9
99.08116	1.6
103.05410	2.7
105.04501	1.9
105.07030	32.0
106.07282	1.6
107.04942	5.6
107.08593	35.2
109.06496	5.4
109.10153	26.0
111.04404	2.2
111.08066	5.8
115.05533	2.0
116.04721	12.4
117.07012	8.9
119.08576	24.9
121.06400	2.3
121.10121	24.4
123.08055	6.7
123.11688	6.2
125.09633	15.2
129.05473	29.9
129.06996	6.4
131.08539	16.4
133.10112	16.6
135.08090	4.9
135.11684	16.1
137.13228	3.2
142.07857	1.7
143.07008	6.5
143.08586	2.5
145.10132	12.7
147.07986	2.3
147.11691	13.7
149.09605	4.2
149.13255	9.2
151.11220	2.6
157.08603	10.4
157.10110	6.8
159.11668	5.6
161.13206	5.2
163.11180	5.7
163.14771	3.3
165.12782	2.4
171.10150	5.2
171.11739	2.0
173.13300	8.6
175.11145	5.3
175.14742	2.3
183.11551	2.3
184.07372	7.3
185.13293	2.2
187.14790	1.9
189.11137	6.9
193.12190	8.4
199.13220	3.1
200.14017	2.8
209.11647	2.0
211.13217	9.1
215.17816	1.9
227.12697	10.6
229.14342	4.6
241.19514	2.0
243.21175	2.2
261.22092	15.4
267.15973	7.6
277.21594	5.7
283.15414	5.2
285.17093	2.3
293.21017	1.8
301.16446	74.7
302.16483	1.9
315.23215	2.4
317.24722	3.0
332.01105	1.8
335.25793	100.0
336.26065	4.8
495.80505	2.3
527.37018	5.5
543.36304	3.3
558.24451	1.8
561.37799	92.9
562.37860	9.0
707.83698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.09648	0.4
55.01866	0.7
55.05511	2.6
57.03427	1.7
61.02926	3.4
63.52098	0.5
67.05501	7.4
69.03416	2.4
69.07069	4.2
71.04971	0.6
71.51603	0.7
71.51956	0.6
73.02912	2.9
79.05486	6.8
81.03417	3.0
81.07051	7.6
83.04984	1.2
83.08621	1.5
85.02898	3.0
86.09722	0.7
91.03950	2.4
91.05476	7.2
91.64363	0.5
92.03133	0.4
93.07049	6.4
95.04951	2.5
95.08603	4.8
97.02892	3.4
97.06533	1.8
99.08118	0.8
101.02364	1.5
105.07030	6.2
107.04970	2.3
107.08582	3.3
109.02890	0.5
109.06495	0.6
109.10158	1.2
117.07030	1.9
119.08585	5.2
121.06448	0.7
121.10140	1.6
123.08086	1.2
125.00047	0.6
125.09546	0.5
127.03943	0.7
129.05463	0.6
129.07004	1.7
131.08536	2.8
133.10127	4.3
135.11671	0.8
139.31110	0.4
142.07837	0.5
143.08542	0.8
145.10136	2.0
147.11653	3.1
149.09587	1.1
149.13295	1.4
150.17386	0.4
159.11751	1.5
161.13274	1.2
163.11296	0.7
171.11734	1.3
173.13344	0.7
175.14841	0.6
177.12749	0.5
179.14372	1.2
184.07372	3.0
189.12772	0.7
243.08437	2.8
247.13086	0.6
247.46913	0.5
259.07678	0.5
269.17566	1.2
275.20239	1.2
277.21536	0.7
281.17523	0.6
293.21368	0.5
315.19299	3.3
371.22168	0.9
465.20938	10.6
533.27197	7.1
641.44116	0.6
757.41272	100.0
758.41571	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	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01865	11.5
55.05510	36.5
57.03437	18.5
57.07065	3.9
60.08153	6.1
61.02943	4.6
67.05180	5.7
67.05508	60.8
69.03423	5.4
69.07063	28.1
70.55431	7.8
70.55822	10.3
71.04981	5.8
73.56951	3.3
79.05495	67.9
81.03406	31.9
81.07055	73.1
83.01351	12.2
83.04998	18.2
83.08617	30.6
85.02897	12.7
86.09713	27.1
91.05475	77.5
93.07034	79.4
95.04980	21.0
95.08607	37.7
97.02896	7.0
97.06522	14.4
97.10178	9.2
98.82354	4.0
98.98517	4.3
105.07029	80.8
107.04958	19.6
107.08590	41.7
109.06528	13.1
109.10159	17.1
111.08063	6.1
117.07021	28.2
119.08576	58.3
121.06516	8.4
121.10148	29.7
123.08066	8.3
123.11780	4.8
124.99992	14.1
125.09616	8.3
129.07022	13.7
131.08563	34.2
133.10135	55.4
135.08061	7.4
135.11713	32.3
137.09628	4.4
143.08580	13.3
145.10126	39.2
147.11658	45.2
149.09579	9.6
149.13240	9.9
153.12779	6.2
157.10159	17.1
159.11649	23.1
161.13286	27.4
163.11183	32.6
165.12686	4.0
171.11697	12.1
173.09743	4.2
173.13197	10.4
175.11192	5.9
175.14850	7.9
179.14299	5.2
183.11685	6.5
184.07347	85.5
185.13234	6.6
189.11172	5.0
193.12181	9.7
199.14726	4.3
209.11792	9.7
211.13264	9.5
227.12708	21.8
241.19507	23.8
257.18896	4.7
258.18188	4.1
259.20581	56.6
267.15866	12.6
275.20105	21.1
283.15405	83.8
285.16943	12.7
297.22083	7.0
331.22552	4.9
333.24228	45.9
349.23773	14.6
422.99512	4.1
431.29434	6.0
449.30368	11.3
467.31696	6.6
523.34119	10.8
541.35162	100.0
542.35699	5.0
559.36194	59.5
560.36664	7.2
677.58630	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	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01866	16.3
55.05505	25.0
57.03435	14.6
59.05006	3.1
65.03925	3.1
67.05499	46.6
69.03412	3.9
69.07060	33.9
70.08939	5.5
71.04984	5.1
73.02897	1.9
79.05486	45.0
81.02931	2.2
81.03411	44.0
81.07050	71.5
83.04971	18.7
83.08607	20.1
85.02901	21.7
85.06542	4.0
91.05476	73.2
93.07037	42.3
95.01311	8.6
95.04964	25.4
95.08600	37.0
97.02874	4.0
97.06517	26.9
97.10176	4.8
98.88041	1.3
99.04476	1.4
99.08090	1.8
103.05501	2.2
105.07024	86.9
107.04951	19.7
107.08587	17.5
109.06532	6.6
109.10143	8.5
111.04456	3.0
111.08064	9.9
113.05907	1.4
115.05453	2.2
115.36999	1.6
117.07010	16.4
119.04977	1.5
119.08569	50.7
121.06511	4.5
121.10130	14.5
123.04414	2.6
123.08060	5.6
123.11692	4.0
125.00032	1.6
125.09605	2.5
125.96395	1.4
128.74660	1.3
129.05455	1.7
129.07019	10.7
130.07765	1.7
131.08560	28.2
133.06517	2.8
133.10107	47.8
135.08038	3.8
135.11705	6.3
137.09631	2.9
141.06967	2.6
142.07735	3.4
143.08548	3.1
145.06483	1.9
145.10107	21.0
146.83229	1.3
147.06183	1.5
147.08067	3.2
147.11681	24.0
149.09616	11.2
149.13261	4.4
151.11182	2.4
155.08513	3.2
157.08865	2.0
157.10124	13.5
159.11684	11.4
161.13280	6.6
162.14087	1.2
163.11201	6.1
165.12762	1.4
169.10149	3.0
171.11636	3.1
173.13266	3.3
175.11206	8.8
177.12712	3.3
179.14287	10.4
183.11668	1.7
184.07339	4.1
187.11169	3.2
193.12234	25.3
197.13335	1.9
197.39366	1.5
211.13271	30.1
238.93562	1.4
239.18056	2.0
241.19453	2.0
247.20647	2.2
257.19006	5.7
259.20438	2.1
267.15881	33.2
275.20044	70.9
276.20325	1.8
279.15942	3.6
285.16943	74.0
293.21063	5.4
301.16510	2.2
349.23691	31.8
350.99139	1.3
387.44263	1.6
455.65704	1.3
456.05405	1.3
489.28391	1.6
541.35272	56.9
542.35468	2.1
544.50629	1.4
559.36261	100.0
560.36414	3.2
669.17419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01631	1.2
55.01872	14.1
55.05512	19.5
57.03439	7.6
57.07077	1.5
59.04988	0.9
61.02911	1.1
61.60511	0.6
65.03936	2.6
67.05504	40.3
69.03430	4.0
69.07069	27.2
71.04996	4.1
71.51205	0.9
73.02896	1.3
77.03917	1.1
79.05493	36.8
81.03416	34.0
81.07053	51.8
82.07394	0.8
83.04981	14.0
83.08616	14.0
85.02432	1.2
85.02907	12.4
85.06546	3.2
86.09700	2.1
87.46822	0.7
91.05480	56.6
93.07042	33.8
93.07643	1.0
93.30423	0.7
95.01333	7.5
95.04976	18.2
95.08607	26.0
96.08944	0.9
97.02897	3.0
97.06528	25.0
97.10171	4.5
98.09711	1.7
99.08074	2.4
103.05479	2.2
104.76836	0.7
105.07030	71.8
106.07347	1.1
107.04949	15.5
107.08593	18.5
109.02903	1.2
109.06533	5.7
109.10158	7.1
111.04432	2.6
111.08094	6.6
113.05994	1.3
113.09624	0.9
115.05431	1.5
117.07012	13.3
119.04914	0.8
119.08582	44.0
121.06492	3.4
121.10140	11.1
123.04430	2.2
123.08039	6.3
123.11717	2.9
125.00014	2.0
125.08797	0.8
125.09631	2.7
127.07540	0.7
128.06161	1.0
129.07013	7.8
131.08569	23.4
133.06505	1.7
133.10133	42.4
135.08063	3.4
135.11711	5.9
137.09630	2.7
139.07491	1.2
141.07060	1.7
142.07771	1.6
143.08571	4.0
144.09326	0.8
145.06508	1.6
145.10120	15.4
146.10612	1.1
147.08018	3.4
147.11687	20.6
149.09618	8.6
149.13260	3.3
151.11206	1.5
155.08527	2.1
157.10135	7.3
159.08022	1.2
159.11702	9.7
161.09682	1.0
161.13257	4.6
163.11150	4.8
163.14897	1.0
165.09119	2.0
165.12799	3.0
169.10155	2.1
171.11711	2.5
173.13293	3.0
175.11224	6.9
177.12738	3.2
179.14308	12.2
183.11732	2.0
184.07335	7.5
185.13202	1.4
187.11171	1.8
187.14886	1.0
193.12241	16.2
197.13214	0.9
211.13272	17.8
219.17480	2.6
227.12721	0.8
229.19528	1.5
233.15387	1.0
239.17920	2.4
247.20593	2.1
249.14900	1.3
257.19016	7.1
259.20551	1.2
267.15906	16.0
269.17538	2.2
275.20062	72.1
276.20401	1.3
279.15958	3.8
283.15384	1.0
285.16968	28.2
287.82932	0.8
293.21225	3.9
331.22842	1.0
349.23712	39.3
350.24005	0.8
461.28934	1.9
472.31812	0.9
479.30002	2.8
482.61627	0.8
541.35254	46.4
542.35931	2.0
559.36292	100.0
560.36572	3.2
577.36902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05510	0.6
56.05029	0.6
57.03439	0.2
58.06625	0.5
59.07396	0.2
60.08162	5.9
67.05506	1.4
69.03419	0.2
69.07065	0.6
70.06588	0.2
71.07365	2.8
71.51055	0.2
71.51466	0.3
79.05476	1.3
81.03408	0.6
81.07049	1.7
83.04977	0.2
83.08631	0.5
86.09702	30.3
91.05485	1.2
93.07033	1.4
95.04972	0.5
95.08588	0.7
97.02868	0.2
97.06506	0.2
97.10200	0.2
98.98457	2.7
104.10734	3.2
105.07035	0.9
107.04977	0.3
107.08582	0.8
109.06520	0.4
109.10197	0.3
111.08103	0.2
117.07002	0.3
119.08581	0.9
121.06483	0.1
121.10164	0.4
121.55034	0.2
123.07992	0.1
124.99996	20.0
125.09606	0.2
131.08539	0.5
133.10126	0.6
135.08058	0.2
135.11694	0.3
142.70352	0.1
143.01054	0.3
145.10081	0.4
147.08040	0.2
147.11671	0.5
149.13232	0.4
151.11156	0.2
157.10103	0.2
159.11784	0.2
163.11194	0.2
184.07332	100.0
185.07683	0.8
195.13795	0.2
196.12370	0.1
203.17946	0.1
223.13402	0.2
227.19946	0.2
267.15842	0.3
268.16135	0.2
269.17480	0.7
273.18350	0.2
275.19989	0.5
283.15451	0.2
285.16711	0.1
291.19366	0.9
349.23804	0.2
365.23166	0.4
541.34839	0.5
544.36444	0.2
559.36285	1.4
560.36237	0.2
670.37042	3.0
722.43890	1.2
739.86627	0.1
756.44385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
53.38852	0.7
55.01868	2.3
55.05507	14.5
55.90098	0.7
57.03439	7.0
59.04992	1.4
67.05502	15.6
69.03411	3.1
69.03756	0.9
69.07055	4.3
71.04993	3.6
79.05493	17.8
81.03415	44.1
81.07056	18.2
83.04976	3.4
83.08170	0.9
83.08620	12.5
85.06548	2.1
91.05482	13.6
93.07044	12.5
95.04958	17.7
95.08608	6.9
97.02908	1.2
97.06525	3.1
97.10165	12.7
97.33340	0.7
99.04495	0.7
105.03315	0.7
105.07027	10.0
107.04951	13.3
107.07861	1.3
107.08575	10.6
109.06522	7.1
109.10151	4.6
111.04446	1.2
111.08101	3.8
115.05527	1.5
117.07021	4.9
119.04906	1.4
119.08580	8.3
121.06496	8.3
121.10130	5.9
123.04427	1.2
123.08059	3.4
123.08868	0.7
125.09621	10.9
127.14754	0.7
129.07014	6.5
131.04915	1.2
131.08554	9.0
133.06445	4.4
133.10132	3.4
134.71782	0.6
135.08041	4.1
135.11691	1.6
137.06026	0.9
137.09581	1.8
141.07019	1.1
142.07715	1.4
143.08553	1.8
145.06499	5.5
145.10115	4.1
147.04430	1.5
147.08067	3.8
147.11682	5.4
149.06093	0.9
149.09615	3.0
152.40259	0.7
153.09125	2.6
153.12720	1.3
155.08580	2.1
157.10106	7.6
159.08081	1.5
159.11668	1.9
161.06039	1.2
161.09561	1.3
163.11203	3.3
165.08961	1.0
165.12761	1.9
167.08530	0.8
167.10692	1.5
169.10225	1.6
171.08067	1.1
171.10222	0.8
171.11687	2.0
172.56752	0.7
173.09700	1.2
173.13246	1.2
175.11183	4.8
177.12766	0.8
183.08160	0.7
183.11674	0.8
185.09612	1.6
185.13228	1.3
187.11215	1.3
187.14810	1.2
189.11234	6.4
189.12662	1.2
191.10631	0.9
193.12225	13.8
195.11737	1.5
205.12331	1.0
213.12668	1.3
215.14383	1.6
217.12175	1.1
219.13829	2.7
223.11183	0.9
223.13246	1.8
225.12708	1.1
227.12769	2.2
227.14714	0.8
231.13773	1.0
233.15356	2.5
237.12733	1.0
249.14961	1.4
255.13780	1.6
259.13165	1.7
267.15909	35.0
273.14767	6.5
273.17242	1.1
275.16614	1.2
287.16519	0.9
293.17444	1.7
309.16827	1.2
339.23215	2.4
349.21661	4.3
357.24222	2.5
367.22678	12.2
368.22971	1.2
385.23730	20.9
386.24020	0.9
403.24826	8.5
405.24283	1.7
421.25854	0.8
423.25510	0.9
441.26343	7.5
459.27405	100.0
460.27765	4.6
477.28479	81.8
478.28970	3.0
491.29990	11.6
501.28406	2.2
509.31213	6.0
541.33649	0.9
567.29077	1.5
686.50830	0.9
786.19153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01853	5.1
55.05511	25.8
57.03425	9.6
65.03961	4.4
67.05503	66.4
69.07062	18.3
69.53880	28.9
69.62234	4.3
71.49960	3.3
79.05489	94.8
81.03416	8.8
81.07053	69.1
83.04958	12.4
83.08625	9.9
91.05475	93.3
93.07040	82.1
95.04974	25.6
95.08603	55.7
97.06512	5.2
98.21471	8.5
105.06323	4.8
105.07028	100.0
107.04937	6.5
107.08594	33.7
109.06511	6.8
109.10154	15.3
115.05391	4.7
117.07003	21.1
119.08560	68.7
121.10165	24.8
123.08059	6.3
128.06186	5.2
129.07005	28.2
131.08551	26.8
133.10121	50.6
133.11723	3.9
135.11693	13.7
143.08533	22.0
143.10658	6.1
145.10141	28.9
147.07983	6.1
147.11668	69.8
149.13240	5.7
157.10106	8.7
159.11702	18.6
161.13251	34.8
166.16331	4.2
171.11659	28.0
173.13266	14.9
175.14810	14.2
184.07384	6.4
185.13301	11.9
189.12740	6.9
199.14833	4.7
207.13884	19.1
207.15669	4.5
213.16457	4.6
241.19511	27.5
242.97989	3.7
259.20593	51.9
279.15900	13.2
281.17410	63.5
315.23334	7.6
333.24258	44.4
408.15717	4.4
447.32605	4.7
465.33438	6.4
539.37292	75.7
557.38098	23.7
678.52429	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	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	14.0
55.01862	22.5
55.05509	30.4
57.03436	32.6
57.07066	4.2
62.10298	2.7
65.03931	10.4
67.05504	96.3
69.03433	21.0
69.07066	21.9
71.01353	6.0
71.04982	10.4
71.51980	2.4
71.52366	2.8
79.05492	85.8
79.35064	2.4
81.03415	100.0
81.06598	4.8
81.07053	83.3
83.01352	3.3
83.04973	38.8
83.08618	26.2
84.90424	2.3
85.02903	18.1
85.06536	10.4
85.78317	2.4
91.05480	95.3
92.05785	3.1
93.07040	73.3
93.23422	2.6
94.04200	3.2
95.01302	2.4
95.04964	87.5
95.08607	52.6
97.02891	28.9
97.06527	17.9
97.10153	8.5
99.04398	6.3
99.08138	2.6
101.63251	2.5
103.05452	6.2
105.04485	3.3
105.06323	2.8
105.07031	67.8
107.04951	69.9
107.08588	36.2
108.05685	2.7
109.02879	11.7
109.06514	35.3
109.10156	28.5
111.04436	23.5
111.08068	17.9
112.57699	2.6
113.06000	10.0
115.03889	2.7
115.05437	8.2
117.06996	29.2
119.04949	8.2
119.08579	50.5
120.05669	3.0
121.06506	23.5
121.10135	23.9
122.07288	16.1
123.04438	8.8
123.08038	12.1
123.11695	6.0
125.05966	5.7
125.09614	5.6
127.03910	11.8
128.06197	9.0
129.05476	5.2
129.07001	27.1
131.04921	4.8
131.08565	39.9
133.06502	23.5
133.10133	26.6
135.08064	25.9
135.11707	15.0
136.08856	3.4
137.06009	3.7
137.09601	7.8
141.06985	7.7
142.07758	6.6
143.08575	16.6
144.74133	2.5
145.06503	15.6
145.10100	22.7
147.08063	34.6
147.11687	24.6
149.09581	15.0
149.13231	5.5
151.07527	3.4
151.11139	3.7
153.12648	3.3
155.08600	5.2
157.06453	3.2
157.10132	19.7
159.08063	7.5
159.11734	15.7
161.09639	25.2
161.13284	8.7
162.10345	2.9
163.07529	4.0
163.11186	13.4
165.09135	7.7
165.12746	5.9
169.10121	9.3
171.11688	10.5
173.04338	3.5
173.09605	4.1
173.11829	3.6
173.13264	6.1
175.11160	18.1
175.14729	3.5
177.12723	6.7
179.69553	2.9
181.12241	3.1
185.09610	3.1
185.13231	9.6
187.11186	11.5
187.14787	5.8
189.12688	4.8
191.10709	3.2
193.12212	36.7
197.13251	4.8
199.11189	3.5
199.14909	4.2
199.74641	2.7
200.09291	2.7
203.14288	7.7
205.12218	6.7
205.15799	4.9
207.13797	4.3
211.11301	4.5
211.13252	38.4
215.14326	4.7
217.15840	3.5
227.12738	6.2
229.14304	3.6
231.13724	3.0
233.15356	15.9
241.14427	2.8
243.13719	3.0
249.14861	9.6
261.14813	5.9
261.18478	3.9
267.15894	25.0
271.17111	3.9
273.18481	25.8
275.19980	8.2
279.15924	8.5
281.17691	3.6
285.16953	11.3
289.17896	15.8
290.18802	10.9
291.19510	17.4
307.19012	6.0
323.18530	6.8
325.20200	4.0
335.18472	6.8
347.22134	6.2
349.23819	4.2
355.17630	3.7
363.21674	5.4
381.22684	25.2
411.20212	3.1
429.21344	14.5
461.28864	3.1
475.30701	2.5
499.30313	3.8
515.29633	5.6
527.29895	4.8
529.59338	2.8
533.30774	6.5
543.36688	3.2
544.36664	7.6
545.30933	5.4
557.34753	4.4
573.34082	25.9
591.35071	9.6
661.35199	3.8
689.35010	3.5
710.17944	2.9
721.95898	2.9
735.39203	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	752.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.0
57.03440	10.0
57.07077	28.0
67.05501	17.1
68.11868	1.7
69.07058	9.1
71.08627	27.5
77.85094	2.0
79.05482	9.8
80.66702	2.3
81.03418	60.3
81.07051	18.8
83.04989	3.4
83.08617	18.1
85.10175	19.3
86.09700	2.5
89.18781	1.9
91.05476	13.4
93.07060	8.1
93.61636	1.5
94.45351	1.6
95.04964	14.3
95.08609	16.2
97.02911	2.1
97.06535	2.4
97.10195	6.0
105.07045	7.6
107.04979	5.4
107.08582	4.8
109.06514	2.9
109.10164	8.9
109.63474	2.2
109.77071	1.7
111.08115	6.3
119.08609	7.9
121.06578	1.9
121.10163	4.9
123.11729	4.8
125.00016	1.9
129.07021	4.6
129.94431	2.0
131.08609	5.6
133.06479	2.5
133.10159	5.0
142.07835	2.2
147.11746	6.9
147.77383	1.7
149.09616	4.1
157.10143	7.2
175.11247	5.8
184.07329	10.6
193.12267	25.9
247.23952	2.0
267.13028	4.7
267.15900	100.0
268.16330	3.2
277.21848	1.9
309.17557	2.1
313.27365	84.8
314.27911	4.7
430.97397	2.1
505.38889	76.7
506.38892	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	752.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
53.32468	0.5
55.01880	0.9
55.05239	0.5
55.05510	9.4
57.03429	1.6
57.07063	2.6
60.38192	0.4
62.06092	0.6
65.03941	1.4
67.05504	25.4
69.07070	7.5
71.04994	0.6
71.08653	1.1
71.83488	0.6
79.05493	29.3
81.03422	0.8
81.07054	23.0
81.07540	1.1
83.04989	1.2
83.08624	3.3
85.06541	1.4
86.09715	0.6
91.05479	30.0
92.05795	0.7
93.07042	31.5
95.04980	3.3
95.08604	14.9
97.06522	1.8
97.10167	1.6
98.06050	0.9
98.21571	0.8
98.98475	0.9
99.08085	1.3
103.05491	1.1
105.04522	1.1
105.07028	29.1
106.07375	0.5
107.04974	1.0
107.08590	12.8
109.06510	1.5
109.10157	5.8
111.08122	0.6
113.09647	0.8
115.05520	1.3
117.07018	10.0
119.08579	19.8
121.10143	8.0
123.11682	1.6
128.06256	1.1
129.07002	4.1
130.07811	0.7
130.43777	0.5
131.08560	13.9
133.10130	13.8
135.11697	6.3
137.09589	0.7
143.08560	3.7
144.09377	0.9
145.10120	9.2
146.10458	0.5
147.11687	8.0
149.09688	1.0
149.13252	3.9
155.08559	0.7
157.10130	2.7
159.11687	7.0
161.13261	3.7
163.11258	0.8
163.14830	1.5
169.10159	0.9
171.11693	2.4
173.13237	5.0
175.14865	2.0
177.12808	0.5
177.16426	0.6
183.11739	1.2
184.07378	1.6
185.13272	1.9
187.14853	1.5
189.16399	1.1
197.13213	0.9
199.14850	1.1
201.16399	0.5
211.14845	0.5
231.21127	0.7
241.19547	1.5
243.21152	1.5
252.18236	0.5
259.20468	3.4
261.11337	0.5
261.22128	2.3
275.20120	1.3
302.24878	2.1
304.26468	1.8
313.21603	0.7
315.23163	11.1
317.24713	8.1
333.24152	3.3
335.25766	3.5
435.34341	0.6
476.27588	0.7
593.45618	100.0
594.46014	4.8
611.46509	5.4
777.17981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01872	13.9
55.05509	13.3
57.03429	3.3
57.07077	1.1
57.07330	0.7
63.99005	0.7
65.03927	0.9
67.05505	29.8
69.03426	1.9
69.07064	17.3
71.04997	1.7
72.04790	0.6
72.35276	0.6
79.05492	33.6
81.03413	7.5
81.07053	33.4
83.04985	8.0
83.08621	5.5
85.02899	0.8
85.06533	2.0
87.04467	0.7
87.42486	0.7
91.05480	37.6
93.07041	31.2
95.01358	4.8
95.04971	10.4
95.08608	21.1
97.02888	1.3
97.06526	22.2
97.10167	1.7
99.08089	0.8
103.05482	1.5
105.04511	1.7
105.07027	47.4
106.07380	0.7
107.04961	11.8
107.08588	13.3
109.06525	3.0
109.10181	4.3
111.04428	1.2
111.08065	1.2
113.09692	0.8
115.05448	0.9
117.07014	9.9
119.08572	25.6
121.06513	2.4
121.10133	4.1
123.04420	1.3
123.08066	3.4
123.11788	1.0
123.39261	0.6
125.09612	1.1
128.06143	1.3
129.07016	5.1
131.08568	11.5
133.06516	0.8
133.10124	22.9
135.08078	2.3
135.11703	4.7
137.09616	2.5
139.07545	0.9
141.06975	0.9
143.08559	4.0
145.06483	1.1
145.10110	10.4
147.08072	0.8
147.11679	16.7
149.09621	4.6
149.13271	1.3
151.11212	1.2
155.08559	1.2
157.10112	1.4
157.81671	0.7
159.11676	5.7
159.89282	0.7
161.09657	1.4
161.13278	5.1
163.11169	3.5
169.10133	1.6
171.11670	7.0
173.13261	2.6
177.12785	2.0
179.14349	6.3
183.11690	1.0
184.07344	0.8
187.11246	1.3
189.12791	2.6
197.13261	1.0
205.12315	1.0
205.87816	0.7
207.13812	5.5
211.14722	0.8
241.14336	0.9
247.20522	1.6
257.19083	3.1
259.20895	0.8
263.16568	1.2
275.20050	43.5
276.20410	1.6
279.15964	2.9
281.17459	26.2
293.21255	2.7
349.23758	14.3
349.27628	0.6
537.35852	1.8
555.36810	100.0
556.36963	4.0
573.38184	1.3
594.50397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01876	4.6
55.05511	20.1
57.03439	13.7
57.06796	3.8
57.07071	55.7
61.02916	9.1
61.75389	1.7
67.05501	53.1
69.03419	7.0
69.07062	22.8
71.04977	5.8
71.08632	41.3
72.33176	1.7
73.02933	3.6
79.05489	43.0
81.03412	6.6
81.07049	61.4
83.04408	1.5
83.04965	4.4
83.08613	19.6
85.02881	10.2
85.06527	3.2
85.10179	23.6
87.04434	2.2
89.06029	3.7
91.03973	4.3
91.05475	53.1
93.07041	44.5
95.04961	8.6
95.08606	57.6
97.02877	5.0
97.06521	5.0
97.10173	10.5
99.04449	2.2
99.08081	3.1
105.07025	60.0
107.04910	2.0
107.08584	27.2
109.06512	4.6
109.10133	22.5
111.08073	3.8
115.05420	2.0
115.56358	1.8
117.06998	22.1
119.08582	52.2
121.06515	2.2
121.10144	24.7
123.08069	2.8
123.11722	6.1
125.09521	1.8
128.06204	2.9
128.30342	1.9
129.05476	2.5
129.06969	13.3
130.07719	2.4
131.08577	29.9
133.10130	44.9
134.19814	1.8
134.96512	1.7
135.08157	1.9
135.11697	22.7
141.06960	1.9
142.07794	2.8
142.93871	1.8
143.08539	14.5
143.13382	2.1
145.10117	26.0
147.08008	4.0
147.11679	46.7
149.09589	4.1
149.13266	12.9
151.07489	1.9
151.11238	2.3
155.08568	3.8
157.10159	12.7
159.11691	25.5
159.95485	1.6
161.09631	2.0
161.13242	36.3
162.28970	1.8
163.11198	2.4
163.14806	4.6
167.08627	2.1
169.10121	4.9
171.07896	1.7
171.11665	17.6
173.13275	15.8
175.11145	1.9
175.14813	15.0
177.12740	2.2
183.11707	6.1
185.13275	13.3
187.14903	4.4
189.12711	2.9
195.11740	4.1
197.13232	3.4
199.14813	7.0
201.12729	2.2
209.13229	1.9
213.12611	1.9
213.16451	3.3
231.17444	2.8
231.20959	8.8
239.23703	3.3
241.19505	34.2
257.18887	1.9
257.24704	2.5
259.20572	95.7
260.20898	4.4
264.65845	1.9
271.20502	2.9
273.22107	2.5
277.21692	3.7
289.21582	2.6
301.21664	5.4
313.27341	100.0
314.27792	2.6
314.61841	2.1
315.23068	4.1
325.21500	2.2
327.89706	1.9
333.24231	47.6
343.22549	2.2
349.21417	2.4
351.25076	2.5
357.24081	2.1
367.22586	6.6
375.25269	3.1
385.23706	4.6
403.24704	3.2
421.25510	2.4
459.27954	2.4
477.29074	2.1
571.46753	10.7
584.41943	1.9
587.46521	4.9
589.48352	36.2
601.48755	2.8
655.50861	2.2
679.48779	6.9
697.50250	6.0
715.50574	3.9
733.51984	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	749.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01858	4.9
55.05508	20.9
57.03435	18.3
57.07074	49.7
65.03931	3.3
67.05501	33.6
68.05829	1.1
69.03420	8.9
69.07066	12.9
70.12801	3.2
70.13219	2.3
71.04995	5.5
71.08630	30.1
73.02905	2.6
79.05489	23.5
81.03414	100.0
81.07052	42.4
81.07532	2.2
83.04976	18.0
83.08615	31.7
85.02901	14.5
85.06528	1.3
85.10175	18.9
91.05476	28.0
93.07043	18.0
94.04160	3.9
95.04962	30.1
95.08604	31.9
97.02889	5.6
97.06517	3.6
97.10159	13.7
99.04453	4.4
99.11673	1.2
103.07540	1.3
105.07025	19.7
107.04971	8.4
107.08588	7.8
109.02869	11.0
109.06490	6.2
109.10152	11.5
110.03641	3.9
111.04431	9.4
111.08081	11.1
111.11689	1.7
117.07016	3.3
119.04928	1.1
119.08569	17.2
120.08901	1.3
121.06468	3.4
121.10120	8.2
123.04415	4.0
123.08079	2.2
123.11690	6.6
125.09642	3.5
127.03883	3.8
129.06993	10.4
131.08568	11.6
132.99533	1.7
133.06485	3.3
133.10115	7.2
135.11671	3.0
137.09612	1.7
137.13219	2.2
142.07733	2.8
145.10100	3.2
147.04494	1.3
147.08014	3.0
147.11678	15.6
149.08525	1.0
149.09546	5.0
151.14697	1.0
153.12721	2.3
155.08514	1.1
157.10106	14.1
163.11168	4.3
165.12769	3.3
175.00595	5.8
175.11189	16.0
181.12222	2.0
183.06584	1.3
184.07344	1.8
191.00037	7.6
191.10645	4.0
193.12236	60.4
209.01178	1.4
209.11691	1.3
211.13277	62.9
221.22731	1.0
227.12692	6.8
235.13271	4.6
239.23691	11.1
249.14804	5.9
257.24731	2.8
259.13339	1.5
267.15906	69.9
268.16177	2.9
273.14676	1.7
277.14230	1.9
285.16959	14.2
301.14194	2.2
309.16891	3.5
313.27359	91.9
314.27603	3.4
341.26675	2.4
383.11285	1.6
419.13495	4.3
437.14764	1.7
493.17368	21.6
496.97037	1.0
505.38879	52.5
506.39163	4.1
507.40735	1.7
521.28363	1.6
523.39923	56.2
524.40302	3.0
539.28705	5.9
547.40027	2.8
613.40967	1.6
651.44165	1.2
731.39484	1.7
749.41718	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05500	1.7
57.03443	2.2
57.54799	0.4
61.02924	5.3
62.47205	0.4
67.05508	5.1
69.03438	3.0
69.07076	1.3
70.97659	1.0
70.97999	0.5
71.01340	0.7
71.04987	0.6
73.02918	3.2
79.05494	3.5
81.03426	3.6
81.07053	4.9
83.08617	1.5
85.02913	6.6
91.03964	4.2
91.05485	3.6
93.07034	4.2
95.04977	1.6
95.08614	3.1
97.02881	3.9
99.04448	0.7
101.02383	2.7
103.03922	0.7
105.07033	2.3
107.08598	1.9
109.02888	1.1
109.10176	0.7
111.08079	0.5
114.61787	0.6
117.07011	0.6
118.31764	0.4
119.08585	2.2
120.84315	0.5
121.10159	1.5
123.11729	0.7
127.03938	1.7
129.07016	0.7
131.08595	1.2
133.10155	1.3
135.11717	1.2
145.04988	0.6
145.10223	0.6
147.11734	1.0
147.67688	0.4
149.13277	0.7
152.43178	0.7
157.10168	1.0
173.13264	0.5
184.07315	2.7
185.04295	0.9
185.07735	0.5
193.12288	1.3
203.05170	0.5
211.13364	0.9
243.08321	2.4
251.12656	0.5
298.13901	0.5
314.76459	0.5
320.20999	0.5
335.25803	0.7
339.34869	0.5
350.91583	0.5
396.91602	0.5
443.82306	0.5
469.20456	7.9
519.29230	4.2
583.15082	0.5
729.47968	0.6
747.42859	100.0
748.42889	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	749.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.5
54.95593	2.2
55.01878	19.6
55.05509	26.9
57.03434	21.1
57.07080	1.8
64.90643	1.9
65.03940	8.5
66.04721	2.4
67.05502	100.0
69.03438	20.3
69.07057	20.0
69.83126	1.9
71.01372	14.3
71.04975	7.8
73.02907	4.0
73.36341	2.0
75.06131	2.0
79.05492	90.2
81.03413	46.0
81.06595	4.7
81.07056	78.3
82.07875	2.1
83.04969	32.4
83.08608	17.0
85.02902	9.7
85.06559	11.1
86.09698	5.0
87.69563	2.3
91.05476	88.8
93.07043	81.7
95.01329	8.1
95.04964	61.0
95.08603	60.5
95.09187	4.4
97.02895	15.3
97.06558	11.9
97.10150	2.4
99.04450	7.2
99.08099	3.4
103.05447	3.4
105.04502	4.2
105.06319	3.6
105.07024	66.1
107.04951	55.7
107.08585	36.7
109.02869	9.3
109.06517	25.1
109.10167	14.0
111.04433	11.7
111.08085	9.4
112.05261	2.3
113.06016	8.2
115.03922	3.4
115.05449	5.0
117.07014	34.9
119.04929	5.8
119.08577	36.5
121.06520	17.4
121.10174	13.2
122.07275	6.8
123.04432	11.1
123.08035	14.9
125.00056	3.4
125.05989	5.0
125.09673	4.6
127.03928	6.2
128.06261	10.7
129.05540	4.9
129.07007	32.6
130.07750	2.5
131.04958	4.9
131.08571	28.4
133.06502	16.2
133.10146	21.1
135.04465	2.7
135.08110	14.6
135.11703	21.9
137.09610	4.4
141.06990	8.5
142.07806	3.4
143.08546	18.3
145.06479	17.9
145.10118	24.0
147.04333	2.6
147.08064	16.4
147.11681	28.0
149.05991	3.3
149.09563	4.0
149.13245	10.0
151.07565	4.4
153.09041	2.4
154.07672	2.5
155.06015	2.4
155.08548	6.9
157.06526	4.6
157.10100	8.0
159.08049	8.7
159.11664	18.1
161.09657	13.6
161.13254	12.5
163.11182	8.8
165.09119	3.6
165.12791	2.0
167.08569	2.5
169.10110	12.6
171.08095	3.6
171.11678	21.0
173.04457	5.3
173.09592	7.2
173.13275	4.5
175.11185	4.7
175.14760	2.6
177.12762	11.3
179.14307	3.7
181.10127	5.3
183.11684	3.8
184.07356	10.1
185.09575	3.2
185.13194	10.3
187.11110	12.9
187.14809	3.5
189.12772	10.3
195.11745	2.8
203.14334	6.8
205.12271	7.5
207.11830	3.7
207.13770	18.5
213.12605	2.5
215.14395	3.5
217.15854	3.3
225.14786	3.6
231.13850	4.8
233.15334	9.0
241.14238	4.1
243.13681	2.7
249.14824	13.2
255.17421	2.7
267.15997	5.7
271.16977	3.7
273.18506	13.8
275.19946	2.6
279.15872	28.0
281.17484	50.0
287.16501	2.8
289.18021	13.7
290.18793	4.8
291.19580	6.5
305.17249	2.7
307.19281	3.0
309.17056	2.6
323.18472	21.3
335.18307	4.5
347.22128	3.1
351.17944	2.4
363.21744	5.1
381.22974	11.5
407.20517	2.5
425.21710	4.9
485.28638	2.5
503.29913	4.7
515.91669	2.4
529.31635	60.3
541.31378	13.6
569.34540	8.6
571.36188	2.8
587.35889	11.3
609.75861	2.3
731.39197	2.6
749.40906	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01864	3.3
55.05511	24.7
57.03442	11.9
57.07065	5.1
57.45589	1.9
61.02932	1.9
67.05504	30.0
69.03417	3.0
69.07073	22.3
71.04987	2.8
71.08615	4.0
71.51264	2.3
79.05498	18.4
81.03418	42.6
81.07059	33.5
83.04974	10.7
83.08617	31.2
85.02900	20.0
85.06548	2.8
85.10201	4.8
86.09690	2.2
90.07631	2.1
91.05486	20.5
93.07038	21.4
95.04960	20.3
95.08603	21.7
97.02898	3.7
97.06523	3.6
97.10181	12.7
105.07012	15.5
107.04964	6.5
107.08591	8.1
109.06502	2.3
109.10149	12.8
111.04449	2.3
111.08084	8.4
113.05999	2.6
113.96395	1.8
119.08594	14.9
121.10124	13.3
129.07008	8.7
131.08568	5.8
133.10147	10.2
135.11679	7.5
147.11707	10.4
149.09602	4.1
149.13290	3.4
150.03648	2.1
157.10129	10.3
167.59468	1.9
175.11234	11.5
184.07407	5.2
193.12250	32.4
211.13298	55.3
267.15891	14.0
285.16968	67.3
286.17209	2.2
339.28931	69.3
340.29358	2.7
531.40399	15.5
549.41498	100.0
550.41766	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.70110	0.4
55.05502	1.2
57.03429	1.8
61.02927	4.5
67.05512	4.5
69.03432	3.2
69.07067	1.7
71.04996	0.5
71.52991	0.8
73.02922	4.0
79.05494	3.9
81.03415	3.7
81.07057	4.8
83.08625	1.2
85.02903	6.3
86.09715	0.9
88.55370	0.5
91.03956	3.0
91.05478	2.9
93.07035	2.9
94.23833	0.5
95.04955	1.4
95.08608	3.2
97.02888	4.6
99.04474	1.0
101.02397	1.8
105.07046	3.3
107.08593	1.8
109.02906	1.2
109.10194	1.3
115.03820	0.5
119.08592	2.2
121.10142	2.0
123.11696	1.2
125.00032	1.2
127.03912	1.9
129.07027	0.7
131.08554	1.0
133.10136	1.8
135.11691	0.8
145.10092	0.8
147.11711	1.5
157.10020	0.7
175.11156	0.7
184.07399	2.1
185.04297	0.7
185.07710	0.6
193.12294	1.3
203.05428	0.6
211.13431	0.6
228.20647	0.5
243.08456	2.2
251.12624	1.1
401.79822	0.5
469.20471	8.8
519.29285	5.2
747.42871	100.0
748.42963	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	746.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
58.06627	0.5
58.28725	0.1
59.07401	0.1
60.08160	6.1
67.05499	0.4
70.06596	0.1
71.07368	3.6
71.22790	0.1
79.05482	0.1
81.07060	0.2
86.09698	31.7
87.10037	0.2
91.05489	0.2
93.07037	0.3
97.57610	0.1
98.98456	2.9
104.10735	2.5
105.07033	0.2
107.08582	0.1
116.99521	0.1
117.07036	0.1
124.99992	21.7
127.65647	0.1
131.08585	0.1
133.10110	0.1
143.01057	0.3
154.20374	0.1
184.07326	100.0
185.07689	0.5
402.68018	0.1
404.46030	0.1
503.08792	0.1
518.32294	0.2
710.43188	0.1
728.44861	8.6
729.44995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.8
57.03436	0.1
58.06631	0.5
59.07388	0.2
60.08162	6.5
67.05498	0.5
70.06567	0.1
70.70764	0.3
71.07368	3.1
75.25603	0.1
77.09743	0.1
79.05485	0.3
81.03402	0.1
81.07059	0.3
83.74592	0.1
85.93944	0.1
86.09702	31.6
87.10045	0.2
91.05485	0.3
93.07051	0.3
95.04935	0.1
95.08624	0.2
98.98464	3.2
104.10734	2.2
105.07013	0.2
107.08572	0.1
109.10190	0.1
115.10174	0.1
115.20979	0.1
124.99997	21.5
131.08629	0.1
138.43114	0.1
143.01038	0.4
144.13863	0.1
146.59492	0.1
147.11685	0.1
162.78342	0.1
184.07333	100.0
185.07745	0.6
322.29422	0.1
333.79214	0.1
728.44885	7.8
729.44843	0.3
763.13348	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	744.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.94248	1.8
55.05510	22.5
57.03430	8.4
57.07054	3.3
59.04981	2.7
65.03939	3.5
65.53780	1.8
67.05505	96.8
68.05819	3.3
69.03437	3.1
69.07064	12.8
70.43069	6.9
71.04987	16.1
71.08633	2.9
79.05028	2.5
79.05489	45.6
81.03405	6.7
81.06593	3.7
81.07052	49.4
81.07526	2.4
82.07383	3.2
82.27802	1.9
83.04958	5.9
83.08599	8.9
85.06538	3.8
86.09688	7.1
91.05485	31.9
93.07037	48.0
94.07388	2.6
94.62338	1.8
95.04952	8.9
95.08604	39.3
97.06507	6.4
97.10143	5.0
98.20866	2.6
99.08086	2.8
103.05392	1.9
105.07025	15.5
107.08590	24.6
109.06519	4.1
109.10150	64.0
110.10478	2.5
111.08064	3.1
117.07010	8.1
117.70756	1.8
119.08572	23.7
121.10139	20.6
123.11699	1.9
124.99968	4.3
131.04900	3.7
131.08560	9.3
133.10117	10.5
135.07986	2.2
135.11659	17.3
137.09598	9.2
145.10109	9.4
147.11664	9.0
149.09544	2.7
149.13261	5.7
155.10635	3.8
157.10146	2.3
159.11642	4.4
161.13177	5.4
162.13449	1.9
163.11180	4.4
173.11745	7.7
173.13147	2.5
175.14903	3.2
179.14264	4.1
181.04942	3.9
181.12190	2.9
184.07353	22.3
193.12189	3.7
211.13278	3.3
255.15964	5.0
277.21655	4.3
285.17047	7.5
287.18457	18.6
296.66373	2.0
312.90829	1.8
335.25797	29.0
337.27209	4.0
357.49219	2.2
374.47601	1.9
397.30783	2.2
471.34668	2.4
489.35733	100.0
490.35928	7.9
503.37299	3.6
515.37225	13.3
546.38513	7.0
547.39917	78.7
548.39990	6.5
646.47736	2.1
669.38776	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	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
55.05510	16.0
57.03423	8.1
57.07076	2.9
57.39023	2.4
60.08147	4.8
61.02918	2.3
67.05188	3.9
67.05506	54.4
69.03441	5.4
69.07066	15.7
71.04963	4.4
71.07339	2.6
71.51830	3.5
79.05082	2.7
79.05492	30.8
81.03371	4.6
81.06599	4.0
81.07054	52.3
83.04967	9.0
83.08598	6.3
85.02901	3.9
85.06540	5.9
86.09224	3.1
86.09703	32.0
86.75356	2.2
91.05483	57.1
92.27981	2.2
93.07037	38.5
95.04961	7.6
95.08625	20.9
97.02844	2.1
97.06477	2.7
97.10141	2.9
98.98447	3.5
99.04447	3.7
99.08058	2.5
103.05429	2.5
104.10711	2.6
105.07024	64.2
106.07375	2.7
107.04948	4.8
107.08598	39.4
109.06524	6.6
109.10154	55.2
115.41191	2.4
117.07018	10.0
119.08588	28.3
121.06523	2.9
121.10116	9.8
123.08059	3.4
123.11693	11.7
125.00014	18.0
125.09643	2.8
127.63888	2.6
128.06226	2.9
129.06981	4.5
131.08586	14.6
133.10130	75.2
134.10410	2.7
135.08022	2.7
135.11685	9.2
143.08528	5.2
145.10124	14.1
147.11697	19.9
149.13220	3.8
151.11183	31.7
157.10156	5.8
159.11658	9.5
161.09579	3.3
161.13266	12.4
163.14774	2.4
169.12231	4.9
171.11784	12.7
171.13017	2.3
173.13136	3.7
175.14868	5.5
179.10666	2.5
183.11707	3.6
184.07341	100.0
185.13162	3.0
187.14821	2.4
215.12755	4.5
241.19469	13.3
253.14337	58.2
255.15973	3.4
259.20569	41.7
271.15375	48.0
277.21606	4.2
285.16956	3.1
315.23282	4.5
333.24246	27.3
342.12949	2.6
351.25327	2.9
511.34030	10.9
529.35229	32.0
547.36304	13.3
744.44348	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	744.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09753	1.1
53.03937	3.5
55.01871	4.1
55.05507	14.6
55.70392	1.1
57.03437	11.8
57.07059	3.2
58.73295	1.0
59.04969	1.1
60.08158	5.3
61.02913	1.8
62.10561	0.9
65.03931	2.0
67.05503	47.6
69.03419	3.3
69.07065	20.1
71.01358	4.5
71.04989	3.0
71.07366	2.0
79.05492	37.8
81.03419	10.7
81.07053	39.1
83.04967	9.1
83.08616	7.9
85.02908	4.4
85.06548	4.5
86.09703	27.1
91.05477	24.1
93.07040	47.3
95.04985	7.2
95.08607	16.2
97.02874	2.6
97.06524	12.9
97.10163	7.0
98.21534	2.0
98.98459	2.9
99.04465	1.4
99.08093	2.8
104.10770	2.1
105.05978	1.1
105.07037	15.9
107.04945	4.9
107.08588	30.8
109.06511	1.9
109.10150	7.7
111.08044	2.6
117.06980	5.3
119.08575	13.5
121.06534	4.2
121.10152	10.7
123.08056	1.5
123.11742	1.9
124.99992	19.0
125.09637	2.8
127.03912	2.5
130.07736	1.4
131.08578	7.1
133.10117	10.9
135.08080	2.0
135.11691	34.4
137.09607	2.2
143.08539	1.8
145.06407	1.1
145.10103	11.0
147.08054	1.6
147.11703	4.1
149.09587	5.8
149.13205	5.2
151.11128	1.8
157.10097	2.0
159.11703	7.3
161.13275	1.4
163.11165	7.3
173.13284	2.5
175.11188	1.9
177.12805	1.5
179.14351	4.9
181.12213	6.1
184.07333	100.0
193.12242	2.2
195.13788	2.9
197.13261	1.7
199.13297	1.3
253.14497	1.4
255.15906	52.7
256.16229	1.4
257.19031	3.7
263.20084	2.3
267.15942	3.1
269.17496	12.0
275.20074	10.1
285.17007	2.4
338.63290	1.1
349.23846	6.1
367.25027	2.3
435.27313	16.8
449.28979	72.4
450.29202	3.9
529.35181	18.3
547.36469	8.2
593.33673	1.4
726.42694	3.0
744.44269	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	744.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
55.01874	4.8
55.05506	29.4
57.03434	24.3
57.07064	4.9
60.08151	5.4
61.02911	6.7
65.03941	4.3
67.05501	95.1
69.03432	8.2
69.07064	31.7
69.77152	1.3
70.74317	1.4
71.01354	5.3
71.04996	8.0
71.07379	1.8
71.52559	3.6
73.02927	3.0
76.70175	1.5
79.05486	92.0
80.05775	2.4
81.03414	12.8
81.07050	70.3
83.04981	18.4
83.08608	11.6
85.02908	9.3
85.06539	6.9
86.09698	23.1
87.10056	1.9
91.03968	3.0
91.05476	69.2
92.05806	1.8
93.07037	100.0
94.07372	2.3
95.04973	16.2
95.08595	34.3
97.02885	7.8
97.06526	20.3
97.10162	15.4
99.04427	2.9
99.08086	7.5
103.05445	2.1
104.10770	1.6
105.04502	2.0
105.07024	58.4
107.04939	7.2
107.08585	62.1
109.02843	2.3
109.06503	4.8
109.10149	14.6
110.56760	1.6
111.04478	2.8
111.08065	8.0
115.05444	2.2
117.07003	24.0
119.08572	48.6
121.06490	5.4
121.10125	28.1
123.08060	3.1
123.11726	4.6
124.99992	17.4
125.09619	4.2
127.03942	2.8
128.06209	1.7
129.05478	2.0
129.07024	8.9
130.07803	2.4
131.04898	1.6
131.08549	23.2
133.09132	2.5
133.10121	40.7
133.13747	1.4
134.97586	1.4
135.08052	6.0
135.11682	76.4
136.12042	1.8
137.09618	5.9
141.07019	3.2
143.08504	8.0
145.10112	28.4
147.11676	29.3
149.09612	8.1
149.13245	12.3
151.11177	5.6
153.12660	2.2
155.08507	2.2
157.10109	8.6
159.11676	17.7
161.09612	2.5
161.13205	16.6
163.11174	16.5
169.10175	1.8
171.11649	9.7
171.65588	1.5
173.13286	9.3
175.14850	7.0
177.12767	4.3
181.12215	20.8
183.11676	2.7
184.07330	72.7
185.07779	7.9
185.13297	8.3
186.07756	4.0
187.14845	2.3
187.60358	1.7
189.12849	2.1
195.13814	6.8
197.13242	3.3
199.13217	3.2
199.14868	5.2
201.12790	1.9
203.14397	1.7
217.16129	1.7
231.21082	3.3
239.17879	2.9
241.19505	19.2
247.20732	1.7
253.14330	7.1
254.14629	1.7
255.15886	84.9
256.16248	2.8
257.19104	6.3
259.20554	46.7
269.17432	10.0
271.15320	2.0
275.20013	16.8
293.21109	4.5
315.23108	3.9
333.24210	22.6
349.23740	7.3
350.44577	1.8
370.15649	1.6
421.30957	4.3
431.27905	1.9
449.28973	50.3
461.28693	2.1
466.35709	1.6
513.35736	34.0
514.35925	1.6
529.35046	5.3
531.36786	8.7
547.35754	5.7
610.57971	1.8
638.75183	1.6
726.45679	3.7
745.41321	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	744.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
58.06629	0.5
60.08158	6.2
67.05497	0.2
69.26487	1.1
69.26897	0.3
71.07368	3.2
74.07352	0.1
74.24857	0.1
79.05490	0.3
81.07055	0.2
86.09699	30.8
87.10030	0.2
91.05457	0.3
93.07032	0.3
93.22984	0.1
93.40549	0.1
95.08620	0.2
98.98457	3.2
103.69013	0.1
104.10732	2.7
105.07026	0.3
118.16286	0.1
119.08574	0.3
121.10188	0.1
124.99992	20.0
133.10168	0.1
136.73228	0.1
137.05910	0.1
143.01027	0.3
147.11734	0.1
163.11363	0.1
180.93416	0.1
184.07324	100.0
185.07704	0.6
221.76576	0.1
516.30670	0.3
637.51166	0.1
708.42163	0.2
726.43335	6.9
727.43811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01871	8.2
55.05509	27.4
57.03437	24.0
57.07080	2.5
60.08146	4.0
61.02908	3.1
65.03946	3.4
67.05502	89.7
69.03416	8.6
69.07066	32.0
71.01344	5.9
71.04986	6.9
71.07361	2.0
71.52547	2.3
79.05028	3.7
79.05486	71.2
81.03417	15.9
81.07051	70.1
81.07536	3.1
83.04979	19.9
83.08614	13.1
85.02889	7.0
85.06535	7.5
86.09711	24.0
91.03952	2.1
91.05477	45.2
93.07037	91.4
95.04949	14.0
95.08604	26.4
97.02887	5.1
97.06526	23.6
97.10156	20.7
98.98440	2.3
99.04453	2.0
99.08072	3.0
104.10736	2.0
105.07022	31.8
107.04947	9.6
107.08588	60.9
109.06541	7.1
109.10136	12.3
111.08082	7.6
113.09622	1.8
115.05437	2.6
117.07001	16.8
119.08574	24.6
120.28628	1.4
121.06515	4.9
121.10133	17.6
123.08124	1.7
123.11688	1.9
124.99995	15.7
125.09645	6.7
127.03922	4.3
129.07002	3.2
131.08569	14.2
133.06467	2.4
133.10110	20.0
135.08058	6.1
135.11682	65.7
137.09622	4.0
141.06992	2.8
143.08540	4.6
145.06479	2.5
145.10117	26.3
147.11633	8.4
149.09633	12.1
149.13203	10.4
151.11212	3.7
155.08580	2.5
157.10132	3.5
159.11708	9.9
161.09598	1.7
161.13264	1.9
163.11151	18.0
165.12781	1.7
169.10085	2.2
171.11691	3.2
173.13255	6.4
175.11113	2.5
177.12732	2.6
179.14339	1.9
181.12213	13.6
184.07335	68.3
187.11223	1.8
189.11209	6.3
195.13805	4.0
197.13309	3.2
199.13261	1.6
219.13710	1.6
227.12785	14.2
229.19492	2.9
239.18008	2.2
247.20641	1.9
255.15898	100.0
257.18997	9.6
269.17462	17.3
274.63739	1.6
275.20056	37.5
283.15558	1.5
293.21054	2.2
318.98395	1.6
321.23984	2.0
331.22824	1.6
349.23663	25.2
351.21609	2.7
409.25797	2.1
425.25412	7.3
433.29596	2.5
435.27332	25.9
436.28036	2.0
440.87463	1.7
449.28970	91.8
450.29333	3.1
511.34265	2.6
529.35278	48.9
530.35455	2.6
547.36005	6.3
569.28955	1.9
593.32965	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	744.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
58.06616	0.5
59.07391	0.1
59.48453	0.1
60.08159	5.9
67.05494	0.2
70.06591	0.2
70.96735	0.2
70.97060	0.1
71.07365	3.0
79.05489	0.2
81.07053	0.2
83.04967	0.2
83.68093	0.1
86.09699	30.0
87.10027	0.2
91.05490	0.2
93.07043	0.2
95.05045	0.1
98.82276	0.1
98.98453	3.0
104.10741	2.4
105.07030	0.2
107.04944	0.1
108.66335	0.1
119.08564	0.2
121.23439	0.1
124.99991	21.1
143.01035	0.3
166.02670	0.1
184.07324	100.0
185.07706	1.0
316.42249	0.1
432.43018	0.1
468.23203	0.1
726.43347	6.1
727.43060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.4
57.03427	14.0
57.07061	4.9
61.02913	4.2
64.64096	3.0
65.03929	4.7
67.05142	4.5
67.05502	78.0
69.07060	26.8
71.04979	6.2
79.05491	76.7
81.03406	8.8
81.07052	100.0
83.04982	8.3
83.08622	23.9
85.02897	4.4
85.06530	5.1
86.09686	15.8
91.05473	63.1
93.06492	5.5
93.07042	76.4
95.04958	15.5
95.08599	43.9
97.06510	10.5
97.10113	4.5
99.08052	4.0
103.05455	4.4
105.07038	57.0
106.07371	4.7
107.08577	53.6
109.10147	13.8
111.08087	6.8
117.07015	29.1
119.08571	42.2
121.06496	4.5
121.10146	24.4
123.08040	4.9
123.11707	11.2
124.99998	8.0
129.06964	10.2
131.04863	3.8
131.08574	26.9
133.10129	50.6
135.08034	4.9
135.11670	24.6
143.08542	7.6
145.10074	18.7
147.11710	35.8
149.09570	5.0
149.13248	24.9
157.10118	6.4
159.11711	17.4
161.13249	19.8
162.79211	3.5
163.11092	3.5
167.68004	3.3
171.11681	10.1
173.13260	11.4
175.14774	5.9
177.12659	4.3
184.07364	47.7
185.13251	6.7
193.12198	4.5
195.09923	3.8
195.12036	3.3
195.13763	21.7
199.14789	5.4
213.14883	4.6
241.19429	22.9
256.04282	3.6
259.18115	2.5
259.20557	63.4
261.22192	4.0
261.86798	3.6
267.15878	14.4
269.17456	86.5
275.20221	4.3
277.21582	5.7
315.23068	4.7
333.20483	5.6
333.24234	72.4
335.25922	8.9
373.60022	4.4
431.50769	4.3
435.32553	6.7
439.25616	3.6
453.33014	4.0
458.73407	3.6
527.37384	61.6
545.38293	18.2
742.42322	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01858	4.0
55.05513	27.0
57.03200	1.7
57.03435	20.2
61.02917	3.7
65.03931	3.8
67.05504	59.6
69.03082	1.3
69.03422	5.5
69.07059	16.4
71.04967	5.5
72.50296	1.3
79.05491	52.4
81.03416	68.6
81.07054	66.5
83.04982	17.5
83.08167	1.9
83.08622	28.1
85.02443	2.5
85.02901	30.9
85.06525	4.0
87.85331	1.3
91.03969	2.1
91.05479	42.9
93.07039	51.1
95.04964	31.1
95.08604	47.4
97.02876	5.1
97.06519	5.4
97.10152	5.0
99.08086	3.5
105.04547	1.6
105.07024	27.6
107.04990	7.4
107.08591	23.8
107.09723	1.4
109.06511	4.8
109.10166	17.2
110.70527	1.4
111.04418	2.4
111.08080	14.2
113.06008	2.3
117.06982	5.5
119.08585	31.2
121.06445	2.4
121.10142	23.7
123.08060	4.4
123.11697	5.8
125.09643	2.5
128.06274	1.7
129.07001	10.1
131.08563	19.4
133.06485	4.7
133.10132	20.4
135.07997	1.7
135.11667	9.3
137.09625	2.9
142.07767	4.3
145.10115	6.8
147.08044	3.7
147.11658	19.7
149.09593	8.0
149.13239	5.5
151.11157	1.7
157.10130	14.1
159.11659	4.6
161.13185	3.9
163.14775	1.5
165.12746	3.1
168.09413	1.8
173.13274	3.2
175.11179	16.0
193.12239	54.1
202.02473	1.8
211.13283	88.5
218.00397	1.7
227.12840	1.7
243.21071	4.5
261.22147	12.2
267.15869	14.0
285.16934	90.1
286.17297	2.5
317.24802	3.4
335.25787	84.8
336.26334	3.4
381.22940	1.6
435.32266	2.0
453.33228	1.5
527.37415	14.0
545.38367	100.0
546.38580	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
53.56552	2.8
53.62159	2.3
55.01847	4.1
55.05511	24.8
55.66427	2.1
57.03432	15.8
57.07079	4.1
59.53575	2.4
59.88274	2.6
60.08158	2.9
65.03928	5.4
67.05502	76.8
69.03429	4.1
69.07060	30.0
69.54095	19.8
71.04987	7.9
71.08611	2.9
73.02924	2.5
75.01971	2.5
79.05488	66.0
81.03422	6.2
81.07053	100.0
83.04982	10.5
83.08607	14.0
85.02905	3.1
85.06542	5.8
86.09701	15.9
87.23260	2.4
91.05479	71.4
93.07040	98.0
95.04967	11.0
95.08606	40.2
97.06547	13.3
97.10170	4.5
99.08090	4.8
104.52238	2.7
105.07025	65.7
107.08586	48.1
109.06510	6.1
109.10135	13.8
111.08089	5.5
113.09625	3.2
117.07019	19.6
117.07714	4.0
118.59969	2.6
119.08577	46.7
121.10124	33.7
123.08064	4.5
123.11711	3.1
124.99994	11.2
129.06152	2.4
129.06973	14.5
131.08536	21.9
133.10127	44.5
135.11691	26.1
137.09586	3.0
137.24980	2.3
143.08554	7.8
145.10132	19.1
147.11696	46.7
149.09641	4.0
149.13243	32.7
157.10124	10.6
159.11684	31.0
161.13255	28.7
171.11710	12.1
173.13278	15.1
175.14830	9.7
177.12743	4.9
179.14151	2.7
181.04874	3.4
183.11743	4.0
184.07338	46.6
185.13261	8.4
191.16661	2.5
195.13889	13.2
199.14854	8.0
231.21095	7.1
241.19519	30.7
243.20920	2.6
259.20569	69.0
266.12231	2.7
266.53311	2.9
267.15915	13.5
269.17465	91.0
315.23212	9.1
320.37695	3.0
333.24225	58.8
335.25729	2.9
346.68030	2.6
417.31845	2.7
435.32404	3.5
453.33810	5.8
471.34924	3.6
509.36365	4.0
527.37372	75.0
528.37396	3.7
545.38220	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	742.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.05510	0.1
56.05032	0.6
58.06633	0.4
59.07398	0.2
60.08164	6.5
67.05514	0.4
69.07080	0.2
69.51972	0.6
70.06594	0.2
71.07370	3.5
76.03661	0.1
79.05489	0.4
81.07052	0.5
83.04986	0.1
83.08621	0.2
86.09704	31.0
87.10038	0.3
91.05487	0.4
93.07045	0.4
95.08600	0.3
96.03907	0.1
98.98462	3.1
100.36152	0.1
104.10737	2.7
105.07033	0.3
105.99895	0.1
107.08588	0.3
109.10196	0.1
112.98460	0.1
116.99427	0.1
117.07050	0.1
118.86275	0.1
119.08585	0.3
121.10099	0.1
124.99998	20.3
131.08525	0.2
143.01041	0.3
143.08604	0.2
152.42526	0.1
159.11739	0.1
166.02690	0.1
179.03381	0.1
180.28510	0.1
184.07335	100.0
185.07690	1.0
190.61646	0.1
195.31870	0.1
326.69040	0.1
396.28726	0.1
413.01810	0.1
446.22980	0.1
464.24072	0.1
518.32477	0.2
528.95483	0.1
541.38873	0.1
555.26337	0.1
689.29999	0.1
708.14069	0.1
724.45441	7.7
725.45978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01861	2.3
55.05509	17.0
57.03436	14.8
57.07067	2.0
60.08154	1.1
61.02913	5.0
64.16865	0.8
65.03925	2.4
67.05500	58.0
68.05824	0.9
69.03428	6.5
69.07062	15.9
69.70137	1.4
69.70535	4.8
71.01348	0.9
71.04985	4.7
71.08623	0.8
73.02932	1.2
79.05490	49.0
81.03414	47.9
81.07051	60.4
82.07376	0.9
83.04976	14.3
83.08615	21.2
85.02898	20.9
85.06509	2.3
86.09703	6.7
87.10018	1.1
90.45545	0.9
91.03971	2.0
91.05476	40.6
93.07040	49.4
95.04962	22.2
95.08602	40.2
97.02895	4.3
97.06539	4.9
97.10161	5.2
99.08114	1.6
103.05446	1.2
105.07024	27.4
107.04927	6.2
107.08589	24.1
109.06485	5.3
109.10152	16.9
111.04418	1.5
111.08087	9.0
113.06034	2.2
115.05444	1.1
117.07005	5.3
118.07605	0.9
119.08579	26.8
121.06502	1.3
121.10137	19.0
123.08055	3.3
123.11669	5.3
124.99986	4.1
125.09645	2.5
128.06195	1.1
129.07021	8.0
131.08565	15.9
133.06482	2.2
133.10118	14.7
135.08070	1.4
135.11678	9.7
137.09615	1.9
137.13188	1.2
142.07791	2.3
143.08517	1.4
145.10118	6.9
147.08043	2.4
147.11664	15.2
149.09604	5.1
149.13289	4.4
151.11153	1.3
151.13071	0.9
157.10098	12.4
159.11676	3.8
161.13246	3.0
163.11191	1.5
163.14815	2.0
165.12743	3.6
171.11807	0.9
173.13248	3.3
175.11168	9.8
175.14798	2.1
179.14343	1.1
184.07329	20.1
185.07684	3.9
185.13416	1.0
186.07719	2.1
187.14722	1.7
193.12234	37.7
199.14786	1.0
211.13280	52.5
212.13574	1.1
227.20152	1.3
243.21042	2.9
261.22086	11.2
267.15894	13.9
269.17685	0.9
285.16949	59.1
286.17276	1.1
317.24930	2.3
325.00711	0.9
335.25781	93.5
336.26117	3.7
376.84320	0.9
435.32516	1.1
453.33664	1.4
527.37225	15.0
535.56250	1.0
545.38342	100.0
546.38953	6.5
652.44043	1.3
713.19177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.42361	1.0
53.86253	1.0
55.01860	3.7
55.05509	14.8
57.03440	10.9
67.05499	23.0
69.03413	4.2
69.07063	6.6
70.06571	1.2
71.04980	6.1
71.17812	1.8
71.18147	1.2
76.36445	1.0
77.03909	0.9
79.05022	1.0
79.05484	23.2
81.03413	51.1
81.06599	1.8
81.07050	26.3
83.04974	5.8
83.08613	15.6
85.02868	3.1
85.06544	2.2
91.05473	20.5
93.07036	20.2
95.04952	25.2
95.08589	10.5
97.02872	3.1
97.06532	4.9
97.10161	16.9
99.04447	1.5
103.05452	1.8
105.07020	14.4
107.04943	17.4
107.08581	14.2
109.02897	1.8
109.06505	17.8
109.10152	6.2
111.04450	2.4
111.08054	6.4
115.05424	1.6
117.07016	6.9
119.04933	1.7
119.08559	14.6
121.06490	13.5
121.10126	13.1
123.04427	3.0
123.08080	5.7
123.11658	1.4
125.09621	15.4
128.06265	1.4
129.06964	7.1
131.04948	1.6
131.08543	14.7
133.06494	5.1
133.10129	7.1
135.08041	8.1
135.11603	2.2
137.05978	2.5
137.09604	2.3
139.11125	3.7
141.06931	1.5
142.07851	2.1
143.08516	3.6
145.06482	7.7
145.10095	6.2
147.04382	2.4
147.08014	7.2
147.11627	8.1
149.09627	7.6
153.09100	2.7
155.08528	2.4
157.10095	6.7
159.08006	3.3
159.11649	2.6
161.05899	2.4
161.09618	1.7
163.03844	1.6
163.07564	1.4
163.11134	4.8
165.12759	1.9
167.07030	3.7
167.08557	1.2
167.10657	2.4
169.10107	1.5
171.07903	1.2
171.10211	1.1
171.11713	3.2
173.09521	1.2
173.13234	2.3
175.11176	8.6
177.05499	1.6
177.12726	1.2
181.04895	1.5
181.10104	1.0
181.12036	1.3
183.11751	1.3
184.07390	1.2
185.09612	1.4
185.11728	1.2
185.13229	1.6
187.11090	1.9
189.11198	6.9
189.12639	1.9
191.14246	4.6
193.12228	17.3
193.64223	1.0
195.11703	1.2
197.09624	1.0
197.13242	2.2
199.11237	1.8
205.12227	1.8
207.06555	1.5
211.13304	4.3
213.12756	1.6
215.14256	2.4
217.12228	1.2
219.13780	12.2
223.13206	1.4
227.12723	3.4
233.15326	4.1
235.13239	2.3
237.14790	1.3
249.14806	2.3
255.13763	2.6
259.15433	9.4
261.14545	1.2
267.15881	45.1
271.16901	1.6
273.14795	7.6
275.16455	2.0
283.15631	1.1
293.17432	7.9
310.97327	1.3
339.23193	2.3
349.21524	4.0
357.23898	2.1
367.22598	16.1
385.23697	24.6
403.24713	9.1
418.14975	1.2
433.25696	1.9
441.26392	8.1
451.27075	4.8
455.26498	1.3
459.27374	100.0
460.27502	2.8
477.28442	91.1
478.28601	2.2
491.29868	9.2
495.29541	8.6
501.28302	2.6
509.30637	3.9
567.29187	2.2
764.21484	1.2
767.90857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01863	2.7
55.05507	12.8
57.03202	0.8
57.03436	8.5
57.07055	1.4
59.82752	0.6
60.08152	0.6
61.02903	1.5
65.03929	1.9
67.05501	37.8
69.03416	2.5
69.07063	12.3
70.93246	0.6
71.04976	2.3
71.52839	1.1
73.02908	0.9
79.05014	1.0
79.05489	35.2
81.03405	2.3
81.07050	40.5
82.07355	1.0
83.04970	3.0
83.08611	8.4
85.02888	0.9
85.06530	0.9
86.09686	3.5
89.22635	0.6
91.05477	15.1
93.07037	42.7
94.07392	0.9
95.04973	6.4
95.08601	44.1
96.08933	0.8
97.02865	2.4
97.06512	4.7
97.10165	1.9
99.04431	2.5
99.08070	0.9
103.05391	1.0
105.04498	1.0
105.07027	13.1
107.04948	6.0
107.08585	28.9
109.06490	1.9
109.10145	11.0
111.04429	1.0
111.08059	1.9
117.07011	7.1
119.08569	12.8
121.06493	3.1
121.10129	17.8
123.08044	0.9
123.11685	2.8
124.99994	2.1
125.05963	2.4
129.06973	1.0
130.07764	2.0
131.08540	5.1
133.10114	5.2
135.08022	1.9
135.11681	36.6
136.11992	1.2
137.13228	0.9
139.07494	1.2
145.10114	22.3
147.11664	2.8
149.13264	3.2
153.12733	1.4
157.10023	0.7
159.11714	2.3
161.13255	1.7
163.11168	38.3
163.14830	1.1
164.11525	1.0
173.13298	1.7
179.14229	0.8
181.12219	6.9
184.07315	10.6
209.11745	1.3
227.12769	51.2
228.13258	1.3
243.21091	2.8
261.22131	5.8
274.28741	0.6
275.20093	1.1
277.21808	0.6
283.15387	47.4
284.15784	1.8
297.22189	0.7
317.24854	2.1
335.25775	100.0
336.26102	4.3
543.36774	72.5
544.37085	5.0
721.40729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01876	9.6
55.05509	24.2
57.03435	16.8
57.07074	4.4
59.04984	2.2
61.02917	8.6
65.03940	2.3
67.05505	62.6
67.73311	1.5
69.03421	3.5
69.07064	14.7
71.04990	5.7
71.08634	2.2
73.02895	1.9
79.05491	48.7
79.61272	1.5
81.03423	11.6
81.07053	65.9
83.01334	5.8
83.04978	10.8
83.08609	19.6
83.49750	1.5
85.02898	12.1
85.06524	2.1
86.09689	3.2
91.03945	2.6
91.05479	31.4
93.07040	62.4
95.04957	13.5
95.08605	45.3
97.02888	6.2
97.06539	6.0
97.10145	4.5
97.88326	1.5
98.20726	3.3
99.04445	2.1
105.07027	21.5
107.04942	7.8
107.08588	32.7
109.06520	5.7
109.10153	18.5
111.04438	3.3
111.08067	2.3
117.07014	14.6
119.08578	18.7
121.06496	4.0
121.10138	27.0
123.08072	6.8
123.11713	5.5
125.00046	2.9
125.05972	1.4
125.09634	2.3
129.06981	1.5
131.08549	12.0
133.10143	11.6
135.08086	4.5
135.11684	24.7
137.09599	2.1
145.10117	23.1
147.08122	1.9
147.11658	8.4
149.13231	8.5
151.11203	1.9
153.08997	2.2
153.12766	5.8
155.08487	1.7
157.10037	1.5
159.11739	7.5
161.13289	5.7
163.11169	24.2
163.14844	5.0
171.11655	2.5
173.09668	2.3
173.13242	4.5
175.14734	2.2
177.16364	1.5
181.04996	1.7
181.12230	4.0
184.07335	15.4
185.13208	2.1
191.10622	3.4
193.12228	3.3
201.16476	1.9
209.11757	9.2
227.12808	11.9
229.62210	2.1
243.21149	5.2
259.20624	2.8
261.22131	19.0
267.15875	4.2
275.20074	2.2
277.21707	3.6
283.15387	100.0
284.15747	3.3
294.44275	1.8
299.23590	2.9
317.06494	11.5
317.24738	5.3
318.06876	8.4
335.25797	99.3
336.26184	2.5
384.76996	1.9
411.64941	2.2
451.32227	3.6
469.33179	1.9
525.35681	6.8
543.36774	78.1
544.37207	4.3
545.38275	2.3
561.37579	2.6
740.41443	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	740.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60192	0.1
55.05502	0.2
56.05029	0.6
58.06618	0.4
59.07122	0.1
59.07381	0.2
60.08158	6.5
61.46130	0.1
67.05502	0.6
69.07072	0.1
70.06595	0.1
70.97335	0.2
71.07367	3.2
71.08568	0.1
79.05476	0.5
81.03420	0.2
81.07043	0.5
83.04974	0.1
83.08601	0.2
86.09696	32.3
86.78965	0.1
87.10027	0.3
89.14394	0.1
91.05476	0.5
92.35209	0.1
93.07026	0.6
95.04939	0.2
95.08607	0.2
97.06517	0.1
98.98454	3.4
99.08083	0.1
104.10059	0.2
104.10735	2.7
105.07036	0.2
107.08562	0.2
109.10122	0.1
111.08014	0.1
117.07001	0.2
119.08559	0.4
121.10132	0.1
124.99988	22.4
125.09636	0.1
126.00372	0.1
129.06992	0.1
131.08554	0.2
133.10081	0.3
133.45447	0.1
143.01009	0.3
145.10110	0.1
147.11630	0.1
156.93602	0.1
184.07320	100.0
185.07677	0.8
221.65123	0.1
223.86253	0.1
464.23810	0.2
523.70251	0.1
528.37439	0.3
546.38379	0.2
561.37354	0.1
578.41138	0.1
629.42682	0.1
722.43842	5.8
723.44177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01868	8.1
55.05510	45.2
57.03437	27.9
58.04006	1.3
59.04997	38.6
61.02908	5.6
62.56158	1.0
65.03925	4.5
67.05504	100.0
68.05825	2.3
69.03428	9.6
69.07063	11.7
69.61761	4.6
69.62183	4.1
71.01338	2.3
71.04990	20.4
71.43110	1.2
73.02895	2.1
75.14484	1.2
79.05492	46.3
81.03417	72.0
81.07052	54.5
83.04980	24.4
83.08168	2.2
83.08623	34.5
85.02902	30.3
85.06538	4.0
87.04466	50.9
89.06012	1.4
91.03962	1.6
91.05479	53.0
92.05813	2.1
93.07034	28.9
95.04958	29.8
95.08598	18.3
96.08934	1.6
97.02873	9.5
97.06505	7.5
97.10168	21.6
99.04447	22.4
99.08087	2.8
103.05434	1.8
105.04519	1.4
105.07030	32.1
107.04959	13.7
107.08589	16.8
109.02833	2.1
109.06520	8.8
109.10153	63.7
111.04446	8.7
111.08077	14.1
113.05988	2.7
115.05398	1.2
117.06998	6.7
119.04884	1.7
119.08578	31.6
121.06505	4.8
121.10138	14.3
123.04430	2.1
123.08054	5.2
123.11706	1.6
125.06001	1.6
125.09615	14.0
127.02578	1.2
127.03915	1.9
128.06256	1.2
129.06995	12.9
131.08565	18.5
133.06464	2.3
133.10133	17.4
135.08040	1.9
135.11693	6.2
137.05942	1.9
137.09621	5.9
142.07787	4.7
143.10635	2.0
145.10138	6.6
147.08086	6.6
147.11685	20.5
149.09589	9.1
153.09180	1.3
153.12737	3.4
155.10657	4.9
157.10127	19.6
161.09689	1.9
163.11194	9.4
165.12761	3.8
167.10606	1.6
173.04523	1.5
173.09541	2.1
173.10149	1.6
173.11749	26.6
175.11183	17.9
181.12299	1.8
189.11182	2.2
191.10641	5.2
193.12234	67.6
194.12505	1.8
197.05998	1.3
199.13287	13.5
209.11752	3.0
211.13281	90.8
212.13631	2.9
223.13258	2.1
227.12811	6.9
228.32593	1.3
229.14337	70.3
235.13335	1.3
241.14339	5.1
247.13257	1.8
265.14493	2.1
267.15909	38.5
268.16364	1.7
276.20450	1.6
283.15387	5.6
285.16949	61.3
286.17377	1.8
313.16516	1.7
315.18042	8.0
383.22180	1.6
401.23065	2.0
409.25861	6.3
421.25888	22.6
427.26874	7.8
439.26898	89.7
475.26901	4.7
493.27896	3.4
525.30554	5.4
543.31348	3.9
560.36560	2.0
761.03949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
53.07582	0.9
54.46682	1.0
55.01631	1.7
55.01867	15.0
55.05509	28.3
57.03431	22.8
57.07060	2.4
59.04984	3.0
61.02913	2.5
65.03916	2.3
66.03410	0.9
67.05502	42.2
69.03428	6.1
69.07069	10.7
71.01346	1.5
71.04983	5.0
71.51504	1.4
73.02908	5.1
74.19998	0.9
79.05490	32.4
81.03413	100.0
81.06600	2.0
81.07051	34.0
82.04194	3.4
83.04975	20.1
83.08612	24.9
85.02907	7.0
85.06539	3.2
87.04459	2.4
91.05479	30.4
93.06484	2.0
93.07035	26.5
94.04194	1.1
95.04375	2.1
95.04961	31.9
95.08062	1.5
95.08600	14.0
97.02881	7.1
97.06522	7.2
97.10154	16.9
97.10743	0.7
98.07303	5.5
99.04447	2.4
99.08098	2.1
105.07024	21.5
107.04944	19.1
107.08595	19.9
109.06516	8.8
109.10147	18.2
111.04445	11.2
111.08073	13.1
115.05440	2.4
116.04700	12.3
117.05476	2.2
117.07007	6.9
119.04920	2.7
119.08572	26.5
121.02849	2.8
121.06481	8.4
121.10145	15.6
123.04424	2.8
123.08045	5.9
123.11692	1.9
125.05994	1.5
125.09612	17.2
127.04039	1.0
127.11189	1.7
128.06171	1.9
129.05473	28.0
129.06966	12.7
131.04892	1.5
131.08565	17.5
133.06474	4.8
133.10132	9.3
135.04411	4.1
135.08058	5.9
135.11687	13.3
136.08801	1.1
137.05980	1.8
137.09581	5.3
139.07610	1.3
141.06949	1.5
142.07748	2.0
143.07013	6.5
143.08594	2.0
145.06453	2.7
145.10121	10.4
147.04364	2.6
147.08034	7.4
147.11682	14.0
149.05978	1.9
149.09613	7.9
149.13229	1.0
153.09137	2.9
153.12730	21.9
155.08514	1.2
157.08591	10.6
157.10110	13.0
158.05830	1.3
159.08041	2.2
159.11676	1.6
161.05951	0.9
161.09636	2.5
163.11171	21.2
165.12738	2.3
169.09962	1.2
171.06511	2.0
171.10161	4.9
171.11536	1.2
173.09579	4.5
173.11731	8.5
173.13135	1.7
175.11171	14.2
177.12724	1.0
181.12236	18.4
183.11644	2.2
184.07358	1.4
185.13234	2.1
189.11211	14.0
189.12747	2.2
191.10674	10.7
192.93163	1.0
193.10434	2.1
193.12233	38.1
199.13245	5.0
200.14082	1.9
201.12735	3.4
201.14832	3.0
203.14412	1.5
205.12267	1.6
207.06453	1.1
209.11703	9.8
210.12354	1.3
211.13185	8.5
213.12694	1.6
219.13916	4.9
223.13278	1.8
227.12755	41.2
229.12202	2.6
229.14273	14.3
231.13795	3.3
237.14880	1.2
243.13759	1.0
245.13763	1.4
247.13277	32.2
249.14758	4.4
255.15901	2.4
259.13306	2.2
265.14398	2.2
267.15897	88.7
268.16214	3.2
273.14990	1.2
283.15424	19.9
301.16440	47.6
302.16736	1.6
321.16895	9.1
337.21243	1.3
339.17978	1.7
355.22748	1.9
365.20999	1.9
373.23599	1.1
383.22141	4.5
401.23160	2.8
409.25592	1.3
421.25720	1.2
447.27051	1.3
457.25452	2.3
458.26581	2.3
459.27039	3.9
475.26923	16.6
476.27573	5.0
493.27960	41.3
494.28079	2.9
525.30054	3.2
633.80725	1.0
721.47717	1.3
740.39539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
55.01863	16.3
55.05270	2.9
55.05512	32.7
57.03436	19.7
57.07057	3.5
60.06333	2.1
61.02908	9.6
65.03947	5.2
67.05504	74.8
67.42256	2.3
69.03157	1.8
69.03434	18.7
69.07066	22.2
71.04984	10.6
71.05348	2.3
71.51641	4.2
72.21818	2.2
73.02911	6.7
79.05492	62.9
81.03421	72.4
81.07053	100.0
81.87805	2.3
83.04977	25.3
83.08157	2.9
83.08620	29.3
85.02896	30.5
85.06532	5.6
91.03945	3.2
91.05478	70.8
92.05829	2.8
93.06494	3.6
93.07043	58.1
95.04961	33.7
95.08601	41.7
96.08952	2.8
97.02885	14.9
97.06540	13.7
97.10143	10.0
99.04391	6.0
99.08069	5.2
103.05492	2.9
105.06313	3.4
105.07027	69.5
107.04950	17.5
107.08587	37.8
108.45654	2.6
109.02850	6.2
109.06519	15.9
109.10146	28.3
111.04453	3.4
111.08064	9.1
113.05960	2.7
115.05435	4.7
116.26847	2.2
117.07026	15.4
119.08579	49.1
121.06493	9.9
121.10143	24.5
123.04356	3.2
123.08054	10.3
123.11701	7.4
125.09625	7.0
127.03893	6.8
128.06172	3.3
129.05487	4.3
129.07013	17.5
131.07625	3.5
131.08560	32.4
133.06520	5.2
133.10118	43.0
135.08029	6.3
135.11667	10.7
137.09607	7.8
139.11055	2.3
141.06932	3.4
143.08534	10.5
145.06508	2.8
145.10117	22.1
147.08023	5.4
147.11664	23.6
149.09601	13.3
149.13243	8.1
151.11165	13.2
153.09029	2.6
155.08585	5.7
157.06487	2.4
157.10159	18.3
159.11676	10.1
161.09612	5.2
161.13216	6.2
163.11140	6.7
165.12721	3.7
169.10173	2.8
171.11681	5.3
173.04417	4.8
173.13194	5.8
175.11188	11.4
177.12762	2.4
179.10596	2.6
183.11624	2.4
184.07225	2.7
185.13300	2.5
187.14854	2.3
189.11142	3.2
193.12239	34.5
195.13673	3.4
199.14862	4.1
209.11667	3.7
211.13269	44.4
211.14931	2.5
227.12750	6.9
229.19521	3.5
239.17720	2.8
247.20322	2.7
249.14992	2.6
253.14328	19.6
257.19031	8.3
259.20352	2.6
267.15845	22.2
268.16086	2.5
269.17371	4.0
275.20065	59.6
285.14209	2.3
285.17017	32.8
291.19333	2.5
293.20975	6.5
344.65134	2.6
347.21844	2.8
349.23685	31.2
367.24915	3.3
413.21851	3.0
429.21429	3.5
461.28821	7.6
479.30096	16.5
486.13217	2.5
496.85464	2.7
501.31857	2.6
521.44659	2.5
541.35126	20.4
559.36243	30.6
577.37128	19.9
623.34155	8.8
623.43518	2.6
663.35358	3.1
685.38403	3.1
721.41095	6.9
739.38452	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	738.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.6
57.07058	0.2
58.06628	0.5
59.07393	0.1
60.08160	5.3
67.05490	0.2
70.06587	0.1
71.07368	3.0
71.08614	0.2
79.05508	0.1
81.07066	0.1
85.53898	0.1
86.09699	28.2
87.10029	0.3
91.05444	0.1
93.07037	0.1
93.70575	0.1
95.08584	0.1
98.21539	0.2
98.98457	2.8
104.10728	1.9
104.11417	0.1
105.07026	0.1
124.99992	18.7
143.00996	0.2
149.95732	0.1
166.02629	0.2
184.07327	100.0
185.07700	1.2
208.51990	0.1
496.34052	0.2
688.45428	7.4
689.45630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01870	35.0
55.05511	49.1
57.03433	20.0
57.07064	2.1
61.02919	21.2
64.81513	2.2
65.03931	8.1
67.05504	87.9
69.03429	22.7
69.07061	35.4
70.87543	3.1
70.87878	3.9
71.01337	2.7
71.04987	14.0
73.02903	8.9
74.06618	2.2
79.05491	89.6
81.03417	77.1
81.07054	100.0
81.07534	4.9
82.18816	2.0
83.04985	26.3
83.08613	37.7
85.02388	2.8
85.02905	47.2
85.06550	5.1
91.03938	5.1
91.05482	98.8
93.07044	71.7
93.07639	3.1
94.07334	1.9
95.04967	48.1
95.08607	43.3
97.02886	23.2
97.06532	44.0
97.10171	18.5
99.04455	5.7
99.08060	3.7
103.05468	4.4
105.04517	2.5
105.05474	2.5
105.07028	86.5
107.04951	33.6
107.08588	55.2
109.02872	5.6
109.06509	18.3
109.10140	23.0
111.04449	5.3
111.08095	18.2
113.06020	3.5
115.05476	6.1
117.07005	23.9
119.08576	65.1
120.05670	3.2
121.06508	10.4
121.10136	29.7
123.04427	2.9
123.08076	10.8
123.11679	7.6
125.09647	20.7
127.03899	7.8
129.07001	19.7
130.07683	2.7
131.08574	42.6
133.06471	7.2
133.10133	47.5
135.08054	11.4
135.11664	11.1
137.09612	8.2
141.06972	3.8
142.07776	3.6
143.08525	10.2
145.06461	4.4
145.10127	28.4
147.08066	7.3
147.11693	43.3
149.09625	34.0
149.13257	5.0
151.11188	7.1
155.08556	3.3
157.10141	20.7
159.08063	4.3
159.11659	21.2
161.09608	3.5
161.13234	9.2
163.02483	2.1
163.11223	10.6
165.12726	5.7
169.10124	6.5
171.10277	3.8
171.11688	9.6
173.04482	5.3
173.09630	3.2
173.11807	4.2
173.13271	8.1
175.11172	19.1
175.14793	1.9
177.12735	3.6
177.59383	2.0
183.11690	8.5
185.13242	6.5
187.11125	3.5
187.14832	4.0
189.11250	11.4
189.12692	3.0
191.14241	3.1
193.12234	48.1
197.13135	3.8
199.11101	3.3
201.12656	2.4
205.12068	3.3
207.13817	3.6
211.13268	73.2
219.13689	2.4
227.12769	49.8
229.14299	3.8
229.19519	3.9
231.13748	2.6
239.17914	2.8
245.13657	4.1
247.20435	3.3
249.14891	2.6
253.17946	5.3
257.19022	12.7
267.15900	34.6
269.17371	2.8
275.20059	98.4
276.20313	3.4
283.15457	2.9
285.16974	62.7
287.20016	2.9
293.21039	8.1
299.19986	2.8
331.22675	4.8
349.23743	60.6
355.22510	2.4
367.24991	2.3
373.23587	3.4
381.22748	5.8
400.88504	2.4
413.21677	2.9
429.20932	3.6
435.27338	3.0
437.25275	5.6
449.30167	3.0
455.26065	4.7
461.28802	8.9
463.30295	5.6
479.29764	6.5
541.35211	30.7
559.36255	52.0
577.37463	31.0
623.34052	4.9
703.41205	2.7
721.40961	4.2
739.41388	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	738.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
55.05513	22.2
57.03423	12.1
57.07071	3.6
59.72777	3.3
65.03924	3.5
67.05499	52.9
69.07050	11.5
69.30805	30.7
70.43664	2.9
79.05491	54.8
81.03413	5.6
81.07056	50.9
83.04958	12.6
83.08606	8.5
87.02294	3.1
91.05476	51.9
93.07040	56.9
95.04952	15.6
95.08595	35.8
97.06493	5.4
105.04475	3.2
105.07024	34.4
107.04912	3.5
107.08604	25.3
109.06509	6.2
109.10146	14.4
115.42462	3.5
117.07008	5.5
119.08562	21.4
121.10114	11.8
123.08048	5.5
123.11726	3.5
129.06955	7.0
131.08540	6.8
133.10103	12.5
135.11662	6.2
145.10088	11.3
146.33699	4.2
147.11658	21.0
149.13268	4.9
151.11194	3.8
160.25780	3.3
161.13220	7.3
171.11757	17.3
173.13283	3.3
179.14268	3.6
184.07310	5.1
189.12732	8.6
207.13889	16.4
261.22113	4.3
281.17459	56.6
335.25778	56.5
541.38885	100.0
542.38922	6.5
711.87836	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	737.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01863	5.7
55.05510	33.5
55.81435	1.6
57.03436	9.3
57.07061	1.5
59.04997	1.5
61.02926	23.2
65.03935	2.4
67.05139	2.4
67.05502	48.0
69.03429	16.2
69.07066	17.2
69.39133	4.1
69.39554	9.7
71.01347	1.8
71.04982	12.4
73.02923	9.5
79.05491	41.4
81.03426	13.5
81.07053	45.9
83.04977	7.1
83.08612	17.7
85.02907	18.6
85.06541	5.0
88.76437	1.7
91.03954	11.2
91.04907	2.1
91.05476	35.2
93.07041	36.9
95.04953	9.0
95.08601	35.1
97.02886	15.8
97.06532	4.8
97.10172	14.6
98.20763	2.2
99.04463	2.4
99.08111	3.9
101.02383	2.4
104.96485	1.4
105.07024	37.0
107.04961	3.9
107.08587	25.3
109.02851	2.0
109.06520	3.2
109.10139	18.1
111.08075	3.3
114.33516	1.5
115.03979	1.7
115.05458	4.1
117.07024	20.4
119.08566	26.3
121.06509	3.0
121.10149	17.0
123.04391	1.9
123.08058	6.4
123.11694	3.3
125.09615	14.6
127.03915	3.6
128.06221	4.1
129.05499	2.5
129.07022	18.9
130.07782	2.6
131.08560	33.1
133.06496	3.1
133.10101	21.2
135.08054	7.2
135.11676	10.4
137.09627	3.2
139.11142	2.6
141.06967	5.5
142.07761	5.3
143.08563	22.7
143.09599	2.8
144.09312	2.5
144.44958	1.6
145.06490	4.0
145.10123	29.0
147.08051	5.4
147.11684	12.0
149.09639	5.0
149.13254	2.3
151.11203	1.9
154.07709	2.4
155.08545	13.3
156.09308	3.9
157.10130	22.4
159.08022	4.4
159.11674	18.1
161.09608	5.9
161.13257	5.6
163.11157	5.3
165.12816	2.2
167.08553	5.8
168.09268	2.3
169.10124	16.4
171.11691	20.2
173.09674	5.3
173.11894	2.9
173.13251	13.2
175.11201	4.8
177.12721	2.5
179.08553	2.2
181.10106	7.5
182.10933	2.3
183.11671	13.0
185.09601	2.9
185.13251	10.1
187.11191	4.6
187.14798	5.9
189.11220	6.1
191.14447	1.7
193.10083	2.1
193.12357	1.7
195.11731	10.6
197.13249	10.1
199.11218	3.0
199.13177	2.1
199.14842	6.4
201.12782	3.5
203.14307	1.7
207.11732	4.5
209.13293	9.4
211.11163	2.2
211.13094	2.7
211.14885	3.4
213.16510	2.2
215.14360	1.7
217.15897	3.3
221.13293	2.4
223.14844	6.8
225.16313	2.2
227.12691	10.8
227.17940	2.0
229.14215	4.1
235.14819	4.1
237.16422	2.9
245.13377	1.7
257.19235	2.2
259.20502	2.7
261.18509	1.8
273.18445	5.8
275.19922	2.8
283.20651	4.4
285.18878	2.3
285.22122	4.1
287.20050	1.8
291.19504	3.9
295.20508	2.3
299.20303	3.0
299.23682	10.1
301.21509	3.5
313.21616	2.5
321.22034	3.3
323.23444	2.2
325.21487	2.4
339.23056	3.1
341.24597	2.5
347.22787	2.2
356.57709	1.7
361.23886	3.1
365.24420	2.4
371.25754	2.1
405.31693	2.7
415.30054	8.7
421.25870	5.2
423.32486	2.8
433.30988	20.2
443.27963	5.9
451.32080	13.0
465.33289	2.5
469.33038	7.3
483.34799	2.5
489.33096	2.1
499.34222	3.9
507.34515	7.9
517.35175	29.4
525.35785	74.9
526.35742	2.7
539.36676	3.0
543.36774	100.0
544.37042	3.3
557.38544	24.4
567.36200	3.3
575.39526	32.4
669.39801	3.1
679.40320	6.6
687.40955	5.4
705.41003	4.2
719.41034	2.5
737.44165	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	737.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.1
55.01871	27.3
55.05510	58.3
57.03433	21.9
57.07055	4.8
59.04990	3.4
61.02927	13.9
63.89204	2.0
65.03927	6.1
67.05503	87.5
69.03426	32.5
69.07066	31.1
71.01330	5.0
71.04998	14.6
71.52286	2.5
73.02895	9.1
79.05492	87.4
81.02934	3.4
81.03417	95.6
81.07053	100.0
83.01316	4.7
83.04978	36.9
83.08616	39.0
85.02905	30.2
85.06534	7.5
91.03963	3.9
91.05476	83.1
93.07038	78.4
94.07349	2.7
95.01363	3.0
95.04965	50.7
95.08601	49.0
97.02392	2.3
97.02897	26.2
97.06521	30.2
97.10165	30.6
99.04438	7.9
103.05450	4.1
105.04504	3.6
105.07032	72.2
105.25327	2.3
106.93582	2.2
107.04957	30.5
107.07886	4.4
107.08585	56.8
109.02890	12.9
109.06512	16.9
109.09490	2.4
109.10153	24.7
111.04433	17.6
111.08065	13.6
113.06039	3.3
115.03852	2.1
115.05435	4.4
117.07013	30.4
119.08578	58.9
119.14700	2.1
121.06497	13.2
121.10136	32.8
121.86118	2.2
123.08062	21.1
123.11685	8.1
125.09627	25.8
125.28406	2.0
127.03920	17.7
128.06226	5.2
129.05489	4.2
129.07010	23.6
131.04941	3.0
131.08557	41.7
133.06465	8.2
133.10126	37.6
135.08040	14.7
135.11714	15.4
137.09605	7.5
141.06969	6.1
141.34949	2.2
142.07802	3.0
143.08531	12.9
145.06479	6.0
145.10115	32.6
146.10449	3.2
147.08055	18.1
147.11674	25.7
149.09631	20.9
149.13278	6.7
150.09943	2.6
151.11168	4.6
153.09044	3.1
153.12732	4.7
155.08519	8.5
157.10107	18.6
159.07976	5.4
159.11687	15.4
161.09601	7.7
161.13246	7.4
163.11185	22.9
165.09111	3.5
165.12743	7.7
169.10139	8.0
171.10274	4.3
171.11690	8.8
173.04492	4.9
173.09602	5.3
173.13219	5.8
175.11160	15.2
177.12697	4.7
179.14351	2.8
181.10086	4.9
181.12108	4.3
183.11674	5.0
184.07397	2.7
185.09579	3.5
185.13245	3.5
187.11214	4.1
187.13226	2.8
187.14836	5.0
189.11240	23.2
189.12744	4.2
191.10739	5.2
193.12236	32.2
197.13190	3.4
201.16287	2.9
203.10686	2.5
203.14265	3.3
209.11674	6.3
211.13260	41.9
215.14354	3.0
219.13820	2.7
223.13283	8.9
227.12766	43.9
227.17903	3.1
231.13754	3.3
245.13902	4.3
245.19060	3.0
247.20628	3.7
249.14810	4.6
257.18915	8.8
259.20313	2.5
267.15878	28.1
273.18488	28.7
275.20074	46.1
276.20401	4.0
283.15402	36.9
285.16965	14.3
289.18024	3.3
291.16571	4.6
291.19537	52.9
292.19888	3.1
293.21194	5.5
313.21704	5.3
319.15237	3.5
347.22058	7.6
349.23761	28.0
365.23163	23.3
377.03839	2.5
379.21191	2.8
419.23859	2.5
429.21060	8.9
435.23987	4.9
437.25311	2.4
447.28302	2.6
453.24805	7.8
461.29095	5.6
465.29697	3.6
466.12277	2.9
477.28717	7.7
483.30411	2.8
527.36450	3.5
528.37537	24.9
529.35040	2.5
539.33484	8.7
543.36389	2.8
557.34662	58.3
558.34747	7.2
575.35608	46.4
576.35492	3.1
639.32935	3.5
701.38086	4.3
719.39886	24.7
737.40564	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.5
55.01873	13.6
55.05508	36.8
57.03161	1.4
57.03437	25.5
57.07059	1.4
58.05001	1.3
59.04982	2.5
61.02934	2.1
65.03928	5.9
67.05503	70.2
68.05821	3.4
69.03431	21.1
69.07069	17.6
70.41857	5.0
71.04996	12.0
73.02906	3.0
79.05492	57.9
81.03414	91.6
81.07050	72.3
82.03755	2.9
83.04979	28.5
83.08611	25.5
85.02900	19.2
85.06540	10.1
87.04447	1.4
91.05477	49.4
92.05779	2.0
93.07041	49.2
95.04965	64.8
95.08604	25.5
97.02898	18.8
97.06540	13.0
97.10164	16.0
98.20878	1.5
99.04446	7.0
99.08095	4.0
103.05449	2.8
105.07027	42.5
105.07706	3.1
107.04953	19.8
107.08589	29.6
109.02862	13.3
109.06516	41.6
109.10146	14.2
111.04446	16.6
111.08080	13.9
113.05999	16.4
115.05466	4.0
117.07018	16.6
119.04925	2.4
119.08578	35.7
119.52456	1.5
121.06509	12.8
121.10136	18.6
123.04425	3.8
123.08062	19.4
123.11720	4.0
125.05982	2.7
125.09600	13.2
127.03927	8.1
128.06206	3.9
129.05505	2.5
129.06999	17.3
130.07712	1.9
131.04907	4.5
131.08560	28.6
132.08894	2.0
133.06483	6.6
133.10127	17.1
135.08049	27.8
135.11688	12.2
137.05957	2.6
137.09598	7.7
139.03868	1.4
139.11203	1.6
141.06956	3.1
142.07748	4.7
143.08556	13.6
145.06496	4.5
145.10120	19.3
147.08060	13.9
147.11685	18.4
149.05948	2.3
149.09561	10.7
149.13258	2.6
151.11154	1.6
153.09087	1.9
153.12750	7.1
155.08504	2.0
157.10121	16.3
159.08080	3.9
159.11736	6.8
160.12007	1.4
161.09618	9.7
161.13275	1.7
163.03864	1.8
163.11169	14.4
165.09097	6.0
165.12761	4.2
169.10159	2.7
171.11673	3.8
173.04474	3.0
173.09636	7.2
173.13255	3.2
175.11203	12.5
175.14807	1.4
177.12735	3.8
181.09970	1.7
181.12221	8.6
183.11635	3.6
185.13226	2.8
187.11176	2.8
187.14769	1.7
189.09151	1.3
189.11195	9.7
189.12746	3.3
191.10640	9.0
193.12230	32.1
195.11604	2.0
195.13742	1.8
199.11198	3.1
199.14755	2.6
201.07596	1.7
201.12640	2.3
203.65248	1.5
209.11685	4.1
210.13301	1.4
211.13263	46.6
212.13699	1.7
217.15865	7.2
219.13727	1.8
223.13306	5.7
227.12770	16.9
227.17865	3.4
229.12453	1.7
229.14215	8.3
230.14619	2.1
231.13777	2.0
245.19011	2.9
249.14886	3.8
255.17570	2.9
263.20096	1.9
267.15878	20.5
268.16171	4.8
273.18475	43.3
275.20047	2.8
283.15408	5.0
285.16962	19.1
291.19531	100.0
292.19824	3.2
305.83472	1.4
309.20511	3.5
313.21420	1.7
315.19556	2.4
319.15405	1.6
329.21045	2.2
337.16443	1.6
347.22250	11.6
348.22897	1.4
349.23636	2.0
353.21161	1.6
355.17465	5.4
365.23309	24.2
366.23434	1.9
371.02118	1.9
383.24271	1.7
383.31952	1.6
399.21631	1.8
411.20038	4.1
421.25726	2.9
422.26071	4.2
429.21130	13.6
447.28470	1.6
483.30707	2.4
489.28802	2.5
490.28738	5.7
509.27194	1.9
539.33795	7.4
557.34760	27.8
575.35773	21.1
590.15662	1.6
593.36664	5.1
617.36108	1.8
683.36981	2.5
701.38763	7.1
719.39825	21.7
737.41241	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	737.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01870	20.6
55.05508	46.0
57.02705	1.9
57.03440	24.8
57.07067	8.3
59.05004	2.5
61.02924	14.2
65.03941	7.3
67.05502	100.0
69.03423	32.7
69.07067	40.1
70.65085	2.0
70.65418	3.9
71.01346	5.1
71.04994	16.9
71.08639	1.9
73.02919	12.5
79.05489	74.5
79.89375	1.7
81.02924	4.4
81.03412	80.4
81.07052	94.4
83.01305	2.5
83.04982	27.6
83.08615	27.7
85.02908	28.9
85.06526	7.8
87.04464	1.9
91.03947	5.4
91.05477	77.2
92.05806	2.2
93.07043	66.3
94.07331	2.2
95.04969	38.6
95.08604	51.0
97.02888	32.5
97.06535	20.0
97.10181	17.8
99.04463	8.6
99.08078	5.2
101.02363	2.4
105.07024	51.4
105.07702	3.6
107.04947	20.5
107.08592	43.0
108.08938	2.1
109.02866	13.3
109.06535	14.6
109.10149	36.8
111.04459	11.2
111.08083	11.8
113.05994	2.2
115.03935	3.4
115.05421	5.3
117.07001	29.9
119.04954	1.9
119.08575	47.6
119.09383	3.9
121.06511	11.8
121.10130	23.1
123.04463	4.3
123.08079	16.4
123.11684	9.0
125.09635	18.1
127.03911	17.0
128.06248	5.0
129.05482	5.3
129.06998	20.1
131.04971	2.2
131.08559	40.0
133.06517	5.3
133.10130	34.0
135.04451	3.2
135.08041	12.6
135.11682	11.7
137.05997	4.0
137.09621	11.7
139.03900	2.2
139.07581	2.9
139.11160	2.6
141.07005	5.1
142.07777	4.3
143.08556	17.4
145.06509	7.0
145.10101	30.5
147.08041	12.4
147.11681	24.0
149.09590	18.6
149.13210	2.9
151.11194	6.0
153.09061	3.6
154.93118	1.9
155.08580	8.3
155.10638	3.4
156.08925	2.2
157.08731	3.3
157.10086	24.1
157.11195	2.8
159.08040	4.1
159.11702	17.9
161.09619	8.5
161.13235	5.2
163.11168	13.5
165.09033	2.7
165.12776	5.6
167.08560	3.1
167.10645	2.6
169.10138	12.1
171.08064	3.4
171.11691	13.7
173.04425	9.6
173.09601	6.0
173.11732	6.7
173.13286	8.0
175.11203	12.3
177.12714	4.8
179.10782	2.4
181.10127	4.9
181.12175	3.3
183.11623	10.8
185.09592	2.9
185.13252	8.5
187.11212	4.7
187.13249	2.0
187.14807	4.5
189.11247	5.3
189.12772	3.6
191.10768	4.0
193.12224	21.9
195.11751	6.8
195.13699	2.5
197.13269	6.1
199.11211	2.7
199.14870	4.8
201.14676	2.3
203.10791	2.2
205.12146	2.2
209.13351	4.4
211.11284	3.4
211.13225	24.0
211.14944	4.1
213.12840	3.4
215.14278	2.7
217.15891	2.7
225.16469	2.5
227.12688	11.4
229.14304	13.5
239.17976	3.4
241.14369	2.0
243.15936	2.4
247.17007	2.4
247.20605	2.3
257.19107	4.5
267.15884	10.1
273.18472	13.8
275.20041	24.2
275.22754	2.0
283.15292	3.5
285.16925	11.9
291.19461	20.1
297.22141	2.4
299.14847	2.7
301.16452	4.2
309.20627	2.0
329.20950	2.1
347.22177	6.8
349.23611	9.7
365.23383	9.2
366.73669	1.9
418.83340	2.0
429.21661	2.6
433.30872	5.2
439.26843	4.5
443.28055	2.3
451.31845	4.4
471.32089	2.6
489.33920	2.8
503.33600	6.2
507.34860	2.7
517.34930	7.7
525.35815	21.4
543.29333	3.7
543.36810	32.4
557.34216	10.2
575.38220	12.9
701.39465	2.9
719.40009	7.0
737.40851	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	737.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81045	1.1
53.03938	7.5
55.01874	10.2
55.05274	1.3
55.05513	14.5
57.03437	21.7
57.07063	1.4
59.10178	1.2
60.28731	1.1
61.02898	2.0
65.03920	3.9
67.05501	56.2
69.03145	1.0
69.03433	10.9
69.03781	1.8
69.07065	8.6
69.22900	4.1
69.23325	8.4
71.01356	1.6
71.04984	5.7
73.02889	1.4
79.05488	34.5
80.97393	1.2
81.03416	42.5
81.07052	39.0
83.04980	14.5
83.08604	11.9
85.02901	7.2
85.06544	12.4
91.05470	37.6
93.07043	29.8
94.07396	1.4
95.04960	68.4
95.08601	20.2
97.02879	10.3
97.06518	7.8
97.10159	3.3
99.04461	3.3
99.08085	2.8
105.07025	31.0
107.04943	12.5
107.08585	18.6
109.02867	7.4
109.06509	57.4
109.10145	7.4
111.04447	6.2
111.08056	6.8
113.06008	27.1
115.05391	2.9
116.06234	1.1
117.07001	15.7
119.04850	1.4
119.08574	16.8
121.06513	7.3
121.10140	9.3
123.04429	2.2
123.08027	3.7
125.09606	3.7
127.03894	5.6
128.06213	3.1
129.05444	2.8
129.07007	12.7
131.08562	21.0
133.06503	6.4
133.10126	13.8
135.08043	45.7
135.11688	7.5
137.09622	3.6
141.07013	2.0
142.07796	2.3
143.08545	9.2
145.06477	2.0
145.10106	13.4
147.08060	7.3
147.11682	10.6
149.09608	9.5
149.13275	1.9
155.08502	1.6
157.10100	8.9
159.08025	3.1
159.11659	4.6
161.09624	8.2
161.13202	1.9
163.11148	4.9
165.56158	1.3
169.10123	2.7
171.11690	5.6
172.66022	1.2
173.04404	1.7
173.09622	2.8
173.13266	3.2
175.11154	7.3
177.09039	1.5
177.12723	3.6
181.10139	1.5
181.12219	2.1
183.11688	2.0
185.13254	3.0
187.11115	2.7
187.14734	1.5
191.10594	1.4
193.12213	16.0
195.11722	2.3
195.13766	1.4
199.11200	2.9
199.14798	3.5
209.11725	1.5
211.13258	19.8
213.12787	1.3
217.15868	10.9
227.12712	2.6
227.17978	2.0
237.16396	1.8
245.18929	1.3
255.17416	2.3
257.19147	1.3
267.15891	10.4
273.18463	40.0
274.18698	1.6
275.20059	3.7
279.15622	1.5
283.15396	1.3
285.16928	4.8
291.19519	100.0
292.19714	2.9
309.20483	2.1
315.19687	1.9
347.22098	10.5
355.17514	2.1
365.23267	16.3
411.19772	1.6
429.21170	11.9
539.33838	7.5
557.34729	23.2
558.34601	1.4
575.35706	10.3
701.38495	4.4
719.28210	1.7
719.39941	21.0
720.39905	1.9
737.39447	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	735.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.6
55.01868	15.4
55.05508	32.4
57.03430	14.9
57.07053	2.8
61.02929	4.9
64.37309	2.0
65.03936	5.5
67.05502	87.5
69.03426	18.5
69.03754	3.7
69.07059	28.6
71.04975	9.6
71.53066	4.8
73.02895	4.6
79.05489	92.8
81.03413	41.0
81.07052	100.0
81.07538	4.8
83.04967	21.6
83.08606	12.8
85.02899	12.6
85.06544	4.9
91.03927	3.0
91.05476	86.0
93.07040	89.6
95.04971	28.9
95.08603	52.9
97.02888	10.7
97.06526	20.2
97.10162	7.3
99.04446	4.0
103.05474	3.4
105.07029	70.0
106.07364	2.4
107.04955	16.6
107.08591	43.7
109.02878	8.2
109.06512	15.8
109.10156	20.1
111.04420	4.9
111.08102	2.4
115.05455	5.1
117.07003	22.4
119.08581	54.4
121.06474	9.4
121.10146	15.1
123.08059	8.7
123.11701	5.2
125.09613	5.6
127.03908	10.5
128.06223	6.5
129.05504	3.4
129.06996	19.6
129.87727	2.1
130.07777	3.1
131.08568	24.7
133.06485	5.0
133.10126	35.3
135.08017	8.7
135.11659	12.2
137.09621	3.5
141.06964	3.9
143.08563	14.1
145.06482	5.9
145.10106	24.6
146.10533	2.5
147.08057	4.2
147.11673	36.9
149.05815	2.1
149.09650	11.2
149.13232	8.2
151.11151	6.6
155.08577	3.8
157.10120	7.3
159.08041	3.7
159.11632	16.1
161.09593	8.5
161.13235	10.0
163.11183	7.2
165.09145	3.0
169.10133	4.1
171.11678	26.6
173.04440	10.4
173.13213	6.2
174.30278	2.1
177.12700	3.4
181.10107	2.5
183.11681	6.4
185.13242	3.2
187.14819	3.2
189.12726	9.7
191.14209	2.7
193.10210	2.4
199.14828	2.7
207.13780	23.2
212.83759	2.3
229.19548	3.6
239.17850	2.2
247.20543	4.3
253.14148	10.9
257.18982	9.7
267.15869	4.8
269.17484	2.8
275.17123	1.7
275.20081	45.6
281.17432	61.7
287.16367	4.2
291.19431	3.3
293.21045	4.7
320.52750	2.4
331.22638	3.2
349.23785	23.4
367.24969	2.5
377.23425	2.8
413.21399	4.8
459.31219	3.1
475.30557	56.3
477.28351	3.7
537.35400	4.6
555.36761	42.0
573.37915	16.0
619.34668	15.8
717.41321	3.8
735.40991	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	735.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
55.01871	26.0
55.05510	36.0
57.03439	15.9
57.07065	3.8
61.02912	8.7
65.03929	5.3
67.05502	79.9
69.03423	13.8
69.07063	27.2
69.16502	7.7
69.16929	14.5
71.01328	2.1
71.04986	11.8
73.02901	3.7
73.06525	2.3
78.78757	1.9
79.05491	100.0
80.05828	2.1
80.81794	1.6
81.03416	31.0
81.07053	91.6
83.04974	21.2
83.08611	17.9
85.02905	14.9
85.06519	5.9
91.05477	92.6
92.05798	2.7
93.07043	92.6
95.04958	31.2
95.08603	45.2
97.02872	13.2
97.06527	37.2
97.10152	14.8
99.04443	3.1
103.05457	3.4
105.04520	3.4
105.07029	77.1
106.07376	2.8
107.04946	21.6
107.08593	51.4
109.02877	7.8
109.06516	12.1
109.10155	21.1
111.04471	2.3
111.08050	5.6
115.05450	3.1
115.07581	1.6
117.07002	26.0
119.08577	52.4
121.06505	11.6
121.10132	20.9
123.08081	9.6
123.08837	1.8
123.11687	5.4
125.09621	11.6
127.03909	5.5
128.06238	6.1
129.05496	2.5
129.06998	21.0
131.08565	28.1
133.06468	5.7
133.10127	32.0
135.08054	10.8
135.11644	10.4
137.09601	5.4
139.07559	3.0
141.06993	5.1
142.05025	1.8
143.08580	15.2
145.06418	3.4
145.10118	29.0
147.08028	6.0
147.11687	47.0
149.09598	21.3
149.13242	4.4
151.11191	3.2
153.09158	2.5
155.08536	3.0
157.10110	5.9
158.65715	1.7
159.08041	3.3
159.11691	17.0
160.24963	1.7
161.09610	8.8
161.13261	16.4
161.72881	1.9
163.11143	8.6
165.12791	4.4
167.08553	2.4
169.10188	4.4
171.11682	30.9
173.04445	5.7
173.11824	2.4
173.13286	6.3
177.12779	3.7
179.14278	3.5
183.11702	5.0
185.13316	1.9
187.11147	3.0
187.14822	4.4
189.11259	3.7
189.12747	10.2
195.11650	2.8
197.13274	3.4
199.14888	3.2
201.12834	2.2
207.13797	34.0
213.16429	3.0
225.14769	1.8
227.12770	32.7
229.14334	2.6
233.15298	2.9
239.17918	3.7
247.20531	4.2
257.19064	11.3
267.15930	2.6
273.18277	1.9
273.29901	2.2
275.20044	66.6
276.20322	3.3
279.15903	3.5
281.17465	69.8
287.16568	2.2
293.20999	4.6
331.22733	3.2
349.23773	34.9
350.24200	3.9
367.24658	3.4
377.23233	7.0
425.21439	3.1
435.27536	3.1
451.26816	7.2
459.30930	7.6
475.30649	21.5
476.31241	2.2
517.21875	2.3
527.37146	2.3
537.35529	3.9
555.36890	49.8
573.37665	14.8
619.34320	5.0
681.39740	2.9
699.39856	2.1
717.41437	2.7
735.41998	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	735.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01871	39.7
55.05274	2.7
55.05513	32.5
56.64146	2.0
57.03427	14.0
61.02927	12.2
65.03947	6.4
67.05505	89.5
69.03430	17.3
69.07073	38.0
69.17190	4.7
69.17586	25.5
69.79971	1.9
71.04989	9.0
73.02907	7.2
73.06590	2.4
74.82632	2.3
77.03932	2.7
79.05492	100.0
81.03413	29.0
81.07055	89.9
83.04984	22.1
83.08610	19.3
85.02924	12.8
85.06548	5.8
91.04000	3.6
91.04904	4.6
91.05476	93.7
93.07044	93.1
95.04971	31.3
95.08606	52.0
97.02882	11.2
97.06525	44.2
97.10168	7.3
99.04465	5.0
99.08099	4.0
103.05456	3.9
105.07028	76.9
107.04956	21.9
107.08598	40.8
109.02878	4.7
109.06521	15.7
109.10141	12.3
111.04501	2.4
111.08089	6.4
113.09660	2.9
115.05464	3.9
117.07017	23.4
119.08578	47.7
121.06516	9.2
121.10142	21.5
123.08069	11.4
123.11733	3.2
125.09621	4.0
127.03924	6.8
128.06248	4.4
129.05482	4.4
129.07005	23.8
131.08574	30.0
133.06522	4.8
133.10127	33.7
135.08063	8.5
135.11697	10.3
137.06007	2.9
137.09660	4.9
141.06953	4.9
142.07704	2.8
143.08534	19.8
145.06442	2.5
145.10104	26.7
147.08055	6.8
147.11699	35.9
149.09616	27.7
149.13281	7.1
151.11165	4.7
153.91272	2.3
155.08539	4.8
157.10112	7.4
159.08080	4.1
159.11748	12.3
161.09602	9.2
161.13274	16.9
163.11166	12.4
169.10184	5.5
171.11673	26.7
173.04515	5.1
173.09673	4.8
173.13287	7.9
175.11247	2.4
177.12733	6.0
179.14355	4.2
183.11687	5.5
185.13354	3.0
187.11084	4.2
187.14778	3.5
189.11263	2.6
189.12801	10.6
193.12308	2.7
197.13214	3.2
199.14864	5.8
207.13805	28.5
217.15956	2.8
227.12677	10.7
227.18044	2.6
239.18021	4.0
247.20613	3.0
257.18973	15.5
267.15863	5.1
273.18457	3.0
275.20044	65.0
276.20477	3.0
279.15964	3.3
281.17465	74.6
291.19556	3.3
292.19812	2.4
293.21115	9.8
294.47144	2.4
299.20001	2.4
331.22742	2.8
349.23734	39.8
367.25104	3.6
377.23248	11.4
419.23907	2.7
451.26624	3.0
459.31155	16.0
461.28867	2.5
475.30710	19.5
497.32431	4.7
500.68985	3.0
515.33423	2.5
527.37817	3.0
537.36072	5.2
555.36841	58.8
556.36890	4.4
573.38019	17.2
619.34576	6.5
717.42078	4.0
735.42395	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	735.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.8
54.74211	1.8
55.01870	26.2
55.05510	36.1
57.03433	26.6
57.07066	4.1
59.04952	2.0
64.66963	2.1
65.03937	10.6
67.05502	98.3
69.03424	31.9
69.07061	23.8
71.01338	6.8
71.04999	12.8
71.51302	2.2
71.51743	2.4
73.02924	2.2
79.05486	73.3
80.06284	2.9
81.03417	100.0
81.06594	4.3
81.07052	74.8
81.07536	3.6
83.04973	33.6
83.08615	27.0
85.02894	22.9
85.06546	9.3
91.05476	87.2
93.07043	69.1
93.07640	2.7
94.04173	3.8
95.01303	3.2
95.04962	70.5
95.08600	47.4
95.48514	1.9
97.02274	4.2
97.02883	33.2
97.06525	19.8
97.10149	10.4
99.04439	10.8
99.08125	2.5
103.05466	6.3
105.04499	3.5
105.07027	61.9
106.07378	2.3
107.04955	55.8
107.08578	39.7
109.02881	15.8
109.06510	38.9
109.07194	4.1
109.10155	18.4
111.04420	16.1
111.08054	12.3
112.05202	2.9
113.06013	12.9
115.03936	5.8
115.05436	7.4
117.07012	34.5
119.04943	7.9
119.08573	43.1
120.05706	2.1
121.06499	18.2
121.10146	22.3
121.45066	2.1
122.07266	5.0
123.04434	9.4
123.08060	14.9
123.11694	6.5
125.06023	4.2
125.09591	9.8
127.03912	11.1
128.06256	4.5
129.05498	2.9
129.06998	26.0
131.04890	5.2
131.08556	41.3
133.06491	19.5
133.10114	27.6
135.04416	5.2
135.08063	23.8
135.11693	16.8
137.05962	4.5
137.09598	5.6
139.07639	3.0
141.06990	9.0
142.07776	3.6
143.08589	14.9
145.06465	15.6
145.10109	23.4
147.08015	22.6
147.11676	25.3
149.05989	3.6
149.09631	19.6
149.13245	7.1
151.07541	3.7
151.11125	3.7
153.12782	3.3
155.08543	8.4
157.06459	3.5
157.10132	19.0
159.07997	10.1
159.11682	13.0
161.05943	3.1
161.09630	13.5
161.13252	6.1
163.11131	12.3
165.09149	2.9
165.12791	4.4
167.07050	2.3
167.08551	4.5
169.10165	6.4
171.08105	2.1
171.11674	10.8
173.04456	6.2
173.09642	5.4
173.13222	6.8
175.11160	12.7
177.12772	6.5
179.14313	3.9
181.12234	3.6
183.11795	2.8
185.09604	4.7
185.13243	7.3
187.11185	7.5
187.14787	4.2
189.11217	4.9
189.12813	6.3
189.16457	2.7
191.10677	6.0
193.12242	26.6
195.13773	2.3
197.13232	7.0
199.14761	3.6
203.14374	4.7
205.12334	2.1
207.13794	6.5
211.11343	3.7
211.13222	25.8
211.14970	2.8
215.14371	4.2
217.15854	6.7
219.13849	3.5
227.12633	9.9
233.15393	9.5
245.18832	2.7
249.14941	4.9
255.17648	3.0
257.18982	4.2
261.15009	4.2
267.15927	10.7
271.16794	2.7
273.18466	20.6
275.20071	17.0
279.15912	7.7
281.17447	7.9
283.15244	2.7
285.16849	2.7
289.17892	12.7
290.18832	7.9
291.19580	17.1
313.22046	2.1
323.18497	5.1
347.22211	5.8
349.23810	6.3
363.21490	4.1
381.22870	4.0
411.19965	3.3
515.29840	6.1
533.31183	2.2
533.48401	1.9
541.34955	3.2
544.36847	2.8
555.36206	7.8
573.34192	4.6
589.40424	2.7
661.36121	4.7
689.34839	10.8
717.38330	3.9
735.39026	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	734.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05032	0.8
56.09602	0.2
57.07071	0.6
58.06339	0.3
58.06609	0.4
59.07397	0.3
60.08162	6.8
67.05491	0.5
69.07059	0.5
71.07371	3.9
71.08634	0.4
71.75532	0.2
79.05479	0.2
81.03453	0.2
81.07057	0.5
86.09704	32.7
87.10043	0.4
91.05473	0.3
93.07027	0.2
95.08601	0.3
98.98465	2.8
104.10740	2.7
105.07030	0.4
125.00002	23.2
131.08505	0.3
143.01045	0.4
166.02583	0.3
184.07335	100.0
185.07690	1.1
193.12234	0.4
211.13333	0.4
267.15778	0.2
313.27435	0.9
315.89505	0.2
373.38318	0.2
521.57770	0.2
523.39905	1.0
734.49622	5.1
735.49377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03942	2.6
55.01868	0.9
55.05244	0.5
55.05507	10.6
55.07379	0.4
57.03428	1.4
57.07059	2.3
62.06085	0.5
65.03925	1.9
67.05499	26.7
69.03419	0.5
69.07066	8.5
69.46909	0.4
71.04987	1.4
71.08610	0.8
71.52125	0.5
77.03917	0.6
79.05488	29.5
81.03401	0.5
81.07051	22.0
83.04952	1.0
83.08618	3.1
85.06532	1.5
86.09698	0.5
91.05476	32.5
92.05830	0.4
93.07037	31.3
95.04966	5.9
95.08600	17.1
96.32087	0.4
97.06520	1.6
97.10178	2.1
98.06039	0.9
98.98467	1.4
99.08086	0.5
103.05443	1.1
104.06226	0.4
105.04517	1.0
105.07023	28.4
107.04961	0.6
107.08585	13.7
107.94871	0.4
109.06506	1.5
109.10143	5.3
111.08055	0.7
113.09688	0.4
115.05453	1.0
116.06209	0.5
117.07013	10.5
119.08575	20.8
121.06525	0.6
121.10130	8.6
123.08067	1.2
123.11703	1.3
128.06229	1.3
129.06993	4.2
130.07811	0.8
131.08559	13.6
132.09296	0.4
133.10118	14.3
133.11111	0.8
135.08075	0.7
135.11687	6.2
135.12616	0.6
137.09636	0.6
137.13275	0.4
142.07774	0.8
143.08548	5.0
144.09229	0.4
145.10117	10.0
147.07991	0.4
147.11678	8.3
149.09619	0.5
149.13239	4.1
151.11253	0.4
152.10770	0.4
153.12709	0.4
155.08545	1.0
157.10106	3.7
159.11674	7.8
161.13248	5.0
163.11183	0.6
163.14803	1.9
169.10146	1.2
171.11665	3.4
173.13252	5.6
175.14803	2.3
181.10037	1.0
183.11726	1.4
184.07338	1.3
185.13235	2.3
187.11388	0.4
187.14783	3.0
189.16432	0.9
197.13257	1.5
199.14789	1.2
201.16315	1.1
209.13303	0.8
211.14819	0.5
213.16428	1.0
223.14807	0.9
225.16405	0.6
233.15343	0.6
237.16249	0.4
241.19536	1.6
243.21109	1.6
247.16832	0.5
257.18967	0.5
259.20560	3.8
261.22034	2.5
273.18527	0.6
275.20123	0.6
297.22116	1.0
302.24753	2.0
304.26236	1.8
315.23169	14.0
315.26785	0.8
317.24753	8.9
333.24194	2.2
335.25851	3.9
388.08646	0.4
394.12326	0.4
413.20795	0.4
458.25830	0.6
519.42365	0.8
537.43488	0.4
593.45593	100.0
594.46051	3.0
636.49829	3.2
691.43414	0.9
734.47101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01863	3.7
55.05509	15.0
55.54649	1.6
57.03442	13.5
57.07076	29.3
67.05499	22.2
69.03417	3.4
69.07056	9.2
69.19025	17.1
71.05007	2.2
71.08624	23.6
79.05492	17.4
81.03418	45.6
81.07059	32.0
81.67782	1.6
83.04979	12.3
83.08619	23.4
85.02895	20.7
85.10187	14.9
91.05475	23.6
93.07043	10.6
95.01313	4.2
95.04970	19.2
95.08603	19.7
97.02869	3.0
97.06516	3.2
97.10159	5.2
105.07018	15.2
107.04937	4.8
107.08593	5.3
109.06503	4.0
109.10157	8.5
111.04415	1.8
111.08086	10.0
113.06049	2.1
115.05403	2.0
119.08556	12.3
121.10127	6.8
123.11691	4.2
129.06996	9.6
131.08548	7.3
133.10129	8.4
137.09656	2.2
141.01791	3.4
147.07985	3.3
147.11694	12.7
149.09656	4.4
157.10132	11.4
175.11183	10.7
184.07338	6.9
193.12228	33.1
204.39319	1.7
211.13272	54.2
212.13583	2.0
239.23741	3.4
257.24857	2.2
267.15891	22.2
271.39981	1.7
276.75400	1.6
285.16949	56.4
313.27356	76.8
314.27512	2.7
429.24426	1.9
505.38892	19.8
523.39935	100.0
524.40125	5.0
699.78607	1.8
735.42426	1.8
749.94000	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	734.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01854	1.3
55.05508	7.3
57.03439	8.3
57.06797	1.3
57.07072	24.5
67.05503	15.9
68.08659	0.7
69.03418	1.6
69.07068	7.5
71.04980	2.4
71.08627	18.7
72.08957	0.7
73.02901	0.9
78.82131	0.7
79.05488	10.2
81.03415	28.2
81.06593	1.4
81.07052	19.9
83.04979	6.5
83.08612	16.0
85.02907	10.8
85.06492	1.0
85.10184	10.7
89.06019	1.1
91.05476	12.8
93.07036	7.6
95.01322	2.0
95.04971	10.6
95.08601	17.2
95.09181	1.5
97.02885	1.9
97.06529	2.1
97.10151	4.3
98.21527	1.9
99.11736	0.9
101.82781	0.7
103.03905	0.7
103.07575	1.1
103.48671	0.6
105.07034	8.1
107.04957	4.3
107.08586	2.9
109.06512	2.3
109.10146	7.7
111.04446	1.3
111.08057	4.1
113.02338	1.3
113.06002	1.5
119.08579	7.9
121.10127	3.6
123.08099	1.5
123.11702	2.2
125.09562	0.7
129.07010	5.0
131.08557	5.9
133.06458	0.8
133.10141	4.6
137.09668	1.0
137.13239	1.5
141.01805	2.8
145.10132	1.2
147.07977	1.7
147.11687	6.9
149.09636	3.0
157.10135	5.9
157.18118	0.7
158.40440	0.7
165.12755	1.2
165.16455	0.7
175.11166	7.6
184.07463	1.4
193.12242	23.3
211.13275	34.7
212.13663	0.9
228.42467	0.8
239.23776	3.0
249.14804	1.1
257.24747	1.1
267.15915	17.4
285.16953	38.6
286.17319	1.0
313.27347	82.8
314.27826	2.7
461.20255	1.0
505.38849	21.7
506.38879	0.9
523.39935	100.0
524.40424	4.7
702.57593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.2
55.01869	12.6
55.05510	20.9
57.03433	25.3
59.79291	2.0
61.02895	2.6
65.03918	8.3
67.05501	90.8
68.88318	2.0
69.03429	15.7
69.07054	17.6
69.72391	2.1
71.04974	7.5
77.03908	2.1
78.58332	2.1
79.05487	59.7
81.03409	35.3
81.07052	55.8
83.04971	13.1
83.08601	9.4
85.02895	12.1
85.06535	21.8
91.05479	57.2
93.07031	56.0
95.01416	2.5
95.04960	100.0
95.08600	32.8
97.02879	8.1
97.06503	9.0
97.10131	3.4
98.41225	2.3
99.04465	4.0
103.05477	3.9
105.07021	49.3
105.10080	2.1
107.04949	23.8
107.08584	34.2
109.02848	6.9
109.06511	68.9
109.10149	14.9
111.08051	3.1
113.05998	37.3
115.05445	5.5
116.06234	2.0
117.07005	23.1
119.04850	2.6
119.08566	26.9
121.06497	11.0
121.10123	12.1
123.04346	2.3
123.08052	7.0
127.03899	6.8
128.06233	6.6
129.07001	26.9
130.72337	2.4
131.04909	4.4
131.08560	32.5
133.06519	11.2
133.10127	19.1
134.57243	2.2
135.08052	51.1
135.11685	11.4
137.05975	4.0
137.09695	2.5
141.06963	6.3
142.07689	3.8
143.08559	20.2
145.06436	8.1
145.10097	18.7
147.08058	15.8
147.11691	13.4
147.12666	2.1
149.09592	8.3
149.13286	3.4
155.08513	5.7
157.06468	3.2
157.10101	10.9
159.08041	7.9
159.11703	8.3
161.09634	11.9
161.13181	5.9
163.11151	5.2
165.08969	3.0
167.08554	2.8
169.10106	4.9
171.07991	5.4
171.11729	16.6
173.04411	6.8
173.09624	3.8
173.13271	8.4
175.11142	6.6
177.12694	7.8
181.10115	6.4
181.11815	2.8
183.11629	5.0
185.09608	7.0
185.13194	4.2
187.11223	4.6
187.14807	2.7
189.12750	6.1
195.11687	3.2
199.11046	3.2
199.14856	5.8
201.12659	2.8
207.11777	3.0
207.13747	6.9
217.15840	14.0
223.14803	2.7
237.16238	2.6
245.01338	2.2
245.18912	4.3
255.17439	6.7
263.16281	3.6
269.15387	2.9
273.18472	61.8
275.20035	4.3
279.15900	7.8
281.17426	13.5
287.16324	9.5
290.65668	2.2
291.19516	91.0
343.97403	2.4
347.22061	15.8
361.20102	3.3
365.23425	13.2
399.21683	2.7
407.20676	3.2
425.21472	6.8
513.32477	3.5
516.40460	2.4
543.36346	4.3
553.35291	22.4
571.36182	29.2
651.38586	3.6
715.39850	8.9
733.41449	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	733.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.4
55.01868	18.8
55.05508	51.2
57.03430	16.4
57.07052	3.3
59.04939	3.1
61.02925	6.4
65.03945	4.6
67.05500	89.8
69.03428	38.3
69.07061	44.7
71.01331	3.2
71.04977	11.1
71.52424	4.1
71.59586	2.8
79.05486	100.0
81.03414	63.5
81.07051	82.9
81.07533	4.0
83.04975	20.4
83.08613	24.3
85.02903	21.6
85.06519	5.4
87.04414	4.1
91.05477	90.6
93.07033	79.4
94.07353	3.6
95.01318	3.4
95.04480	3.0
95.04969	39.2
95.08602	49.9
97.02885	21.3
97.06504	12.2
97.10171	26.5
99.04441	10.1
99.08057	4.2
103.05463	4.3
105.03412	3.4
105.04498	3.7
105.07025	67.8
107.04969	22.3
107.08589	36.0
109.02870	18.9
109.06509	9.8
109.10127	16.6
111.04446	7.9
111.08032	7.1
115.05420	9.9
117.07000	29.1
119.08582	52.6
121.06501	12.6
121.10131	20.9
123.04428	3.1
123.08076	16.0
123.11690	4.9
125.09608	22.4
127.03954	14.1
128.06212	7.8
129.06975	28.9
130.07767	5.7
131.04955	6.1
131.08566	28.0
131.74565	2.9
133.06500	13.3
133.10097	20.3
135.08026	6.6
135.11659	5.3
137.09674	5.5
141.06943	5.7
143.08540	24.4
145.06468	8.6
145.10104	26.4
147.08031	16.4
147.11655	30.1
149.09613	6.9
149.13243	5.8
153.09102	6.5
155.08572	9.5
157.06454	3.4
157.10101	11.6
159.08054	6.2
159.11673	11.6
161.09598	9.9
161.13254	11.2
163.11180	5.6
165.09099	4.6
167.08577	3.7
169.10173	6.7
171.11659	28.3
173.04524	14.8
173.05739	3.2
173.09607	3.7
173.13246	5.0
175.11183	10.0
177.12794	5.6
179.14351	5.1
181.04820	3.1
181.10059	5.3
183.11679	5.7
185.09685	3.1
185.13286	6.8
187.11183	6.1
189.01935	2.6
189.11179	15.0
189.12747	8.2
193.12213	5.9
195.11720	3.2
199.14772	3.4
205.12143	4.1
207.13765	23.0
211.13107	4.4
223.13271	13.3
225.11153	5.5
225.14815	3.2
227.12669	24.1
229.14207	3.3
245.13763	2.7
245.18927	4.2
249.14754	3.4
255.17427	4.1
257.18851	3.5
269.15530	4.9
273.18512	33.6
275.19907	6.9
279.15939	5.3
281.17438	38.8
287.16379	8.2
291.19510	87.4
315.19577	3.3
330.50439	3.3
347.22202	5.7
365.23221	16.0
435.23547	5.3
509.27216	5.6
543.36658	3.2
553.35156	6.8
571.36218	59.7
632.74524	2.9
635.34076	8.8
697.39288	3.8
715.39435	13.6
733.40710	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	733.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01869	1.1
55.05505	2.5
55.05725	0.4
57.03428	2.5
57.07071	0.4
61.02925	4.3
64.78915	0.4
65.03928	0.5
67.05504	7.4
67.20859	0.4
69.03433	3.9
69.07068	2.7
69.47048	0.7
69.47453	2.6
71.01366	0.5
71.04990	1.0
73.02922	3.1
75.04480	0.4
79.05494	6.5
81.03416	4.3
81.07052	5.9
83.04982	1.5
83.08610	0.7
84.59682	0.4
85.02898	4.4
85.06535	0.7
89.31432	0.4
91.03951	2.8
91.05472	6.0
93.07033	8.4
95.04966	2.0
95.08598	3.8
97.02878	4.2
97.06544	1.6
97.10173	1.7
99.04467	1.6
101.02382	1.8
105.07027	4.6
107.04971	1.1
107.08582	4.5
109.02861	0.6
109.06531	1.2
109.10164	2.0
111.08064	0.5
117.07008	2.2
119.08576	3.7
121.10126	2.7
125.09663	0.8
127.03918	1.8
129.07001	1.0
131.08592	2.6
131.09512	0.5
133.10123	2.8
135.11685	4.8
137.09628	0.5
143.08589	1.2
145.10156	1.7
147.11697	1.7
149.09578	0.7
149.13316	0.8
151.09262	0.4
155.08447	0.5
157.10210	0.8
159.11713	1.4
161.13318	0.9
163.11182	0.8
169.10110	0.6
170.57603	0.5
171.11633	0.9
173.04523	0.5
173.09601	0.5
175.14821	0.6
179.10863	0.4
183.11711	0.5
184.07347	0.7
185.04143	0.5
185.13269	0.6
189.11211	0.6
221.11528	1.5
223.13342	0.8
227.12782	0.7
240.53490	0.4
243.08385	2.8
243.34315	0.4
255.15927	0.5
259.20724	0.5
275.20004	0.9
291.19647	0.5
301.09061	1.1
315.10468	0.6
317.20963	0.5
373.11142	0.6
429.17612	0.5
439.19385	9.4
465.21185	0.5
511.21426	1.8
535.28705	6.0
571.36481	1.5
595.30878	0.5
612.09918	0.5
663.33948	0.7
715.38971	0.5
733.41284	100.0
734.41785	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	732.459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01853	1.0
55.05507	14.5
57.03421	2.4
57.07063	2.4
59.04979	0.6
65.03944	2.8
67.05502	29.9
69.07066	11.3
71.04984	1.4
71.51272	0.5
71.51716	0.7
77.03925	1.0
78.25082	0.5
79.05489	32.8
79.08719	0.5
81.03421	1.3
81.07052	26.4
81.07535	1.3
83.04961	2.8
83.08615	4.3
85.06541	1.8
86.09690	1.8
91.05476	58.0
93.07039	30.3
93.07645	1.0
94.07342	0.6
95.04967	4.6
95.08602	20.2
97.06528	2.0
97.10179	1.7
98.06033	1.9
98.98467	1.6
99.08092	1.4
103.05466	1.9
104.06183	0.6
105.04502	1.8
105.07025	62.1
106.07346	0.9
107.04964	1.2
107.08587	16.3
109.06510	1.9
109.10152	7.6
111.08089	1.1
114.38330	0.5
115.05457	2.4
116.06238	0.9
117.07013	21.7
119.06159	0.8
119.08575	38.2
121.06499	0.7
121.10134	8.6
123.11694	1.6
125.00004	1.7
125.09597	0.6
128.06245	2.3
129.06989	10.4
130.07794	1.2
131.08556	24.0
133.10121	29.7
135.08099	1.2
135.11691	4.7
137.09720	0.6
141.06931	1.3
142.07808	1.7
143.08540	8.9
144.09343	0.9
145.10120	18.4
147.11681	14.1
149.09532	1.0
149.13274	2.3
155.08600	2.4
156.09271	0.9
157.10121	7.2
159.11684	14.7
161.13248	4.8
163.11177	0.6
163.14761	0.9
167.08565	0.8
169.10100	3.5
171.11679	7.5
173.13251	9.7
175.11264	0.7
175.14827	2.5
181.10085	1.2
183.11752	2.9
184.07310	6.3
185.07631	1.1
185.13228	4.6
187.14777	3.7
189.12833	0.9
195.11784	1.1
197.13258	1.9
199.14839	2.1
201.16348	1.1
203.14326	0.7
209.13226	0.9
211.14865	1.5
213.16396	1.3
215.17894	0.9
223.14850	1.4
225.16402	0.8
231.21056	0.9
237.16406	1.0
239.17830	0.7
241.19518	4.5
257.18951	0.7
259.20557	12.6
273.18439	1.0
275.20016	0.6
297.22159	1.7
302.24783	4.6
313.21631	1.3
315.23178	26.5
316.23605	0.8
331.23029	0.8
333.24231	5.7
425.98029	0.6
474.26126	1.1
591.44049	100.0
592.44397	4.5
634.48303	4.1
651.72357	0.7
732.45953	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	730.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22074	0.1
55.05499	0.2
56.05029	0.7
58.06364	0.2
58.06621	0.4
59.07387	0.2
60.08157	6.5
63.98811	0.1
67.05502	0.7
67.05800	0.1
69.07055	0.3
69.49098	0.3
69.49503	0.8
70.06583	0.1
70.55347	0.1
71.07365	3.4
76.32964	0.1
79.05474	0.3
81.03410	0.1
81.07045	0.5
84.04466	0.1
86.09696	32.0
87.10041	0.4
90.42833	0.1
91.05465	0.5
93.07035	0.3
95.08602	0.5
98.98452	3.5
104.10719	2.2
105.07031	0.3
107.08580	0.3
109.10143	0.2
116.99419	0.2
119.08566	0.2
121.10112	0.1
124.99986	21.6
131.08540	0.2
133.10078	0.1
143.01050	0.4
166.02638	0.2
184.07320	100.0
185.07686	1.0
231.08145	0.2
450.22931	0.2
520.34210	0.3
568.40179	0.2
714.10956	0.2
730.46375	5.1
731.46698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05038	0.6
57.03444	0.1
58.06626	0.4
59.07384	0.1
60.08163	6.3
61.19865	0.1
66.83566	0.1
67.05501	0.5
69.07059	0.2
69.23579	0.1
69.26648	0.2
69.27055	0.7
70.06567	0.1
71.07372	3.4
79.05480	0.4
79.97021	0.1
81.03412	0.2
81.07055	0.4
83.08618	0.1
86.09704	31.5
87.10034	0.4
91.05475	0.4
93.07032	0.4
95.04987	0.1
95.08605	0.4
98.21507	0.2
98.98466	3.0
104.10744	2.2
105.07028	0.4
107.08584	0.2
108.22353	0.1
109.10144	0.2
116.99527	0.1
117.07033	0.1
119.08606	0.4
124.99999	20.7
131.08530	0.2
133.10104	0.2
135.11664	0.2
137.62241	0.1
143.01053	0.4
145.10115	0.2
147.11649	0.2
163.72408	0.1
165.32655	0.1
166.02832	0.1
184.07336	100.0
185.07681	1.0
259.20694	0.1
290.14099	0.1
300.57498	0.1
450.22464	0.1
468.23941	0.2
513.57574	0.1
553.71863	0.1
730.46478	3.7
731.46753	0.3
762.96759	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	731.16
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02362	0.9
53.03937	0.6
55.01852	1.3
65.03921	1.1
67.01859	0.8
67.05495	0.8
68.99446	0.5
68.99787	6.8
70.56319	0.7
70.56693	0.8
77.03928	0.7
79.01849	1.0
79.05470	1.0
81.03412	3.6
83.04973	0.3
85.02895	0.5
89.03908	0.8
91.05486	0.7
93.03394	1.2
95.04983	1.7
96.50211	0.4
99.04444	1.4
103.05451	0.7
105.03387	0.8
107.04948	4.3
109.02882	3.9
111.00794	3.3
111.04436	3.5
115.05453	1.0
117.03375	0.9
117.07042	0.4
119.04974	1.6
121.02853	2.1
123.04420	84.2
124.04762	0.9
125.02354	0.5
127.03908	100.0
128.04280	0.7
129.06989	0.5
131.04890	2.0
132.90280	0.4
135.04407	33.9
136.04697	0.4
137.02336	4.1
137.05988	0.5
139.03893	43.8
141.01872	0.5
141.06970	1.1
143.03391	0.9
143.05028	0.8
145.06490	1.2
147.04387	6.8
149.02321	5.6
149.05945	1.7
151.03885	15.5
153.01816	12.3
153.07025	0.9
155.03610	0.4
155.04942	1.0
157.06465	1.0
159.04407	3.2
161.06003	2.7
161.56976	0.4
163.03891	38.0
164.04311	0.6
165.01927	0.5
165.05493	3.5
165.06798	0.6
167.03387	7.9
167.04741	0.5
169.06509	1.9
173.06010	3.4
175.03894	4.2
175.07515	0.5
177.05481	4.1
179.03368	4.6
181.05020	0.7
181.06544	1.1
183.04451	0.7
185.06013	1.2
187.03862	6.2
187.07652	0.9
189.01848	0.6
189.05476	3.7
191.03368	12.2
191.07071	0.4
193.04953	4.6
193.06493	0.5
197.05940	4.2
199.03802	0.5
199.07590	0.4
201.05461	9.3
203.03381	11.8
203.06995	2.1
204.03813	0.3
205.04874	2.5
207.02754	0.4
207.06520	0.6
211.03850	0.5
213.05431	1.9
215.03490	1.4
215.06993	2.8
217.04945	2.3
219.06595	0.6
223.02431	0.6
225.05388	1.7
227.06937	0.8
229.04935	7.9
229.07001	0.4
231.06523	1.8
233.04446	7.2
233.06702	0.5
237.05496	0.8
239.07176	0.5
241.05008	1.4
243.06451	4.3
245.04413	7.7
247.06006	21.1
251.05437	1.8
253.05054	1.2
255.06474	2.5
257.04431	10.6
258.05179	0.8
259.05972	9.1
261.07693	1.0
265.05045	1.0
269.04391	5.0
271.05997	19.6
273.07529	5.3
275.05487	15.2
275.08469	0.7
283.06000	7.6
283.09003	0.5
285.07578	0.9
287.05475	22.0
288.06076	0.5
289.07037	10.7
291.08578	3.2
295.06149	0.9
297.07703	1.0
299.05511	3.9
301.07047	13.3
303.08762	0.8
311.05563	0.8
313.07153	0.4
315.08832	0.9
323.09372	0.4
325.06982	0.5
379.08109	0.8
391.08060	3.0
393.09680	2.3
409.09155	24.0
410.09882	1.0
411.10831	0.6
421.09052	2.3
427.10333	2.4
435.10724	1.8
443.09949	0.8
543.13171	0.8
561.12207	0.3
563.12439	0.7
579.11707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01873	5.2
55.05513	25.6
57.03437	21.6
57.07065	7.1
58.96873	1.8
61.02936	4.4
65.03908	2.6
67.05505	89.2
69.03424	4.4
69.07066	28.0
71.01331	2.4
71.04984	7.3
73.27956	1.8
79.05495	82.9
81.03435	6.6
81.07056	54.0
83.04958	11.4
83.08626	7.4
85.02911	3.9
85.06546	7.6
86.09705	5.9
91.05481	78.7
93.07040	84.0
95.04983	10.4
95.08612	36.0
97.06544	16.9
97.10159	13.4
98.21539	4.6
99.08099	3.9
103.05466	2.3
105.07033	67.9
107.04930	5.0
107.08589	53.6
109.06548	2.5
109.10166	21.4
111.08116	5.0
117.07023	19.8
119.08574	54.8
121.06534	3.5
121.10143	29.4
123.08099	4.0
123.11713	3.1
125.00025	6.1
127.50439	2.2
128.06224	3.7
129.06956	11.3
131.08557	25.9
131.98389	2.2
133.06508	2.6
133.10136	47.4
135.08044	5.9
135.11696	68.6
135.12727	3.6
137.09647	2.9
141.12466	2.1
143.08559	11.4
145.10117	30.2
147.11690	44.8
147.12820	3.7
149.09656	2.8
149.13278	11.4
151.11241	4.6
155.08508	2.6
157.10130	8.5
159.11742	16.6
161.09633	3.1
161.13252	36.9
162.30888	2.3
163.11198	7.7
163.14867	4.6
169.10130	2.3
171.11693	12.3
173.13272	13.8
175.11302	2.4
175.14838	15.7
181.12222	12.3
183.11691	4.3
184.07329	20.0
185.13173	10.8
187.14943	2.9
189.16464	2.4
191.14252	2.6
195.11710	2.4
197.13229	2.4
199.14876	8.3
209.13512	2.2
213.16270	2.5
229.39247	2.5
231.21092	7.6
241.19499	35.3
241.53056	2.0
253.14317	9.1
255.15923	97.2
259.20572	100.0
273.33838	2.3
275.20102	4.5
277.21667	2.8
313.63007	1.9
315.23145	6.9
333.24243	59.6
333.28241	3.6
335.04471	2.0
359.17725	2.1
416.85742	2.3
421.31015	8.5
427.38446	2.3
439.32053	8.0
457.33038	3.5
495.34796	2.9
503.37323	3.2
513.35797	73.5
514.35803	3.0
531.36694	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	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01876	0.4
55.05495	1.6
57.03429	1.3
59.05005	0.7
61.02924	4.4
65.03922	0.4
67.05505	2.8
69.03427	2.8
69.07052	1.3
69.48769	0.3
71.04974	1.1
73.02914	2.6
79.05487	3.1
83.04971	0.7
83.08597	1.7
85.02897	5.6
85.06513	0.4
87.04482	0.6
91.03957	2.2
91.05473	4.6
93.07039	2.9
95.04949	2.4
95.08595	2.1
97.02879	4.2
97.06519	0.9
97.10168	0.4
99.04453	0.9
101.02383	1.8
103.03917	0.4
105.07023	2.6
106.03687	0.3
107.04930	0.6
107.08594	1.8
109.02882	1.0
109.06522	0.9
109.10140	1.1
111.04462	0.4
111.08078	1.3
113.06060	0.4
119.08581	1.6
121.10133	2.2
123.04406	0.5
123.08078	0.8
126.13662	0.3
127.03931	1.3
127.48271	0.3
129.07018	1.2
131.08539	2.3
133.06529	0.4
133.10110	1.9
135.08090	0.4
135.11665	0.5
142.47044	0.4
147.04391	0.4
147.08028	0.8
147.11684	2.2
149.09601	1.8
149.13213	0.3
157.10114	2.2
163.11162	0.6
175.11140	1.7
183.20869	0.3
185.04227	0.3
191.14394	0.3
193.12265	2.4
207.06587	0.6
211.13324	0.6
217.12332	0.4
225.14883	0.6
229.33449	0.3
243.08441	2.7
251.12621	1.1
267.15958	1.0
283.06335	0.5
283.15182	4.6
303.05106	0.5
304.19763	0.4
307.15329	0.5
339.17700	1.0
400.55499	0.4
441.20935	0.4
444.24170	0.4
469.20410	9.6
501.23035	10.6
502.23526	0.5
531.20160	0.4
729.36591	100.0
730.37140	4.3
741.57056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58036	0.1
55.05503	0.3
56.05033	0.7
57.07064	0.1
58.06618	0.4
58.40488	0.1
59.07393	0.1
60.08159	6.3
60.21194	0.1
67.05493	0.5
69.07049	0.1
69.45634	0.1
71.07368	3.6
71.51585	0.2
79.05486	0.4
81.03406	0.3
81.07034	0.4
83.08627	0.2
86.09698	30.8
87.09982	0.2
91.05470	0.4
93.07043	0.5
95.08601	0.5
98.21452	0.1
98.98457	3.1
102.23165	0.1
104.10738	2.6
105.07047	0.2
107.08585	0.2
115.03879	0.1
116.99482	0.1
119.08582	0.3
124.99992	20.4
125.46552	0.1
131.08546	0.1
133.10149	0.2
143.01059	0.4
147.11734	0.2
157.10272	0.1
166.02650	0.2
184.07324	100.0
185.07642	0.5
250.41856	0.2
473.25888	0.1
514.34137	0.1
518.32422	0.1
728.44873	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	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05034	0.7
58.06628	0.5
59.07385	0.1
60.08160	6.0
67.05495	0.4
69.07060	0.2
69.51735	0.2
69.52143	0.4
70.06570	0.1
71.07368	3.4
79.05478	0.5
81.03425	0.2
81.07052	0.3
85.02893	0.1
86.09700	31.0
87.10043	0.2
91.05472	0.4
93.07035	0.3
95.08608	0.2
98.20816	0.1
98.21385	0.2
98.98457	2.9
104.10738	2.2
105.07044	0.3
107.08585	0.3
109.10123	0.2
116.99568	0.1
119.08604	0.1
121.10202	0.1
124.99992	20.3
131.08533	0.1
133.10150	0.1
143.01068	0.4
159.11661	0.1
161.51218	0.1
166.02652	0.2
184.07326	100.0
185.07657	0.6
196.00114	0.1
224.70293	0.1
225.36285	0.1
254.93886	0.1
255.16034	0.1
275.20111	0.2
342.68204	0.1
468.23529	0.2
531.36224	0.2
728.44904	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	728.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01873	4.1
55.05509	22.1
56.35445	1.8
57.03437	17.3
57.07056	3.3
61.02923	25.6
65.03941	2.0
67.05501	83.2
68.14758	1.7
69.03426	19.0
69.07053	20.9
69.28993	17.5
71.04985	5.8
71.08621	11.9
73.02915	11.8
79.05021	2.3
79.05489	56.3
81.03408	20.5
81.07050	100.0
82.07397	2.4
83.04982	18.3
83.08604	19.3
85.02898	41.4
85.06535	5.5
87.04430	2.1
91.03947	21.1
91.05466	33.2
93.07038	74.8
94.07391	1.9
95.04955	8.1
95.08602	60.0
97.02876	27.1
97.06509	10.7
97.10165	4.5
99.04442	6.4
99.08089	19.5
103.03947	2.7
105.04560	1.6
105.07018	22.4
107.04943	2.4
107.08584	42.0
109.02891	4.8
109.06522	7.1
109.10155	24.3
111.04400	3.4
111.08068	7.4
117.07005	14.1
119.08575	18.1
121.06428	4.1
121.10143	37.7
121.10888	1.1
123.04399	2.2
123.08057	3.9
123.11727	9.0
124.99960	1.8
125.09599	3.8
127.03932	18.4
129.05482	12.3
129.07001	3.9
131.08563	19.7
133.06462	2.1
133.10115	15.0
135.08046	4.8
135.11676	19.3
137.05968	2.3
137.09586	2.3
137.13245	6.1
139.11177	3.6
143.08513	2.2
145.04990	14.6
145.05968	1.9
145.06453	1.4
145.10130	16.0
147.11690	12.6
149.09528	2.4
149.13245	36.3
151.11195	12.1
151.14806	2.2
155.08565	2.0
157.10089	3.1
159.11688	18.8
159.69550	1.7
161.13243	13.9
163.05960	9.8
163.11168	7.3
163.14774	9.6
165.12726	2.6
171.11742	2.4
173.11752	5.2
173.13251	11.6
175.14856	5.5
177.05385	1.9
177.12747	10.7
177.16422	6.2
179.14250	4.7
184.07317	4.7
187.14810	7.8
195.13794	11.0
201.16380	2.2
219.13826	2.9
227.12784	3.6
229.14430	2.6
231.20779	1.8
233.22595	3.9
241.19485	4.0
243.21091	29.2
245.13730	2.7
259.20560	5.3
261.22137	66.0
262.22412	2.8
263.23758	2.1
269.17453	87.5
270.17953	3.5
277.21649	7.9
279.23337	2.8
303.16367	1.7
335.25757	23.0
351.25323	25.0
353.22427	3.1
353.26840	65.0
354.27313	4.0
395.20511	1.7
443.28003	4.6
461.29251	2.0
479.29996	2.4
497.30978	11.8
558.10059	2.3
728.36945	5.4
729.34442	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	726.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
56.05020	0.6
58.06592	0.4
60.08161	6.1
63.17518	0.3
67.05513	1.3
69.07069	0.4
70.09139	1.0
71.07041	0.3
71.07371	3.5
71.08609	0.3
71.56786	0.2
79.05473	1.0
81.07037	1.0
83.04983	0.3
86.09702	32.8
91.05454	0.7
93.07024	0.9
95.04942	0.3
95.08597	0.7
98.98450	3.7
103.38647	0.3
104.10735	3.1
105.07032	0.6
109.10157	0.5
114.73256	0.2
119.08616	0.3
121.10109	0.3
124.99998	20.7
131.04916	0.3
131.08623	0.3
145.10078	0.3
160.16185	0.3
181.04999	0.4
184.07332	100.0
185.07578	0.5
209.08138	0.4
335.25812	0.5
529.38599	0.4
628.46228	0.7
630.23248	0.3
726.46881	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	726.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01861	2.1
55.05506	14.6
57.03435	13.6
57.07069	3.0
60.08114	1.4
61.02915	3.5
65.03934	2.4
67.05500	63.3
69.03414	2.0
69.07064	18.3
71.04987	4.1
71.53359	2.5
73.02908	1.6
79.05489	36.2
81.03413	2.1
81.07053	69.5
82.07415	1.4
83.04968	4.8
83.08620	11.0
85.02900	4.2
85.06537	2.9
85.10120	1.6
86.09709	7.5
91.05482	21.0
93.07038	54.4
95.04976	4.8
95.08605	34.2
97.02885	3.8
97.06517	6.9
97.10171	3.2
99.08123	2.7
105.07018	11.9
107.08586	32.7
109.06503	2.8
109.10149	14.0
111.08070	4.5
113.25648	1.3
117.07022	5.2
119.08552	10.3
121.10139	22.8
121.10950	2.2
123.11711	4.2
124.99999	5.0
131.08548	10.9
133.10132	9.0
135.11678	13.9
137.12192	1.2
137.13306	1.7
145.10117	2.9
146.54933	1.3
147.11684	4.5
149.13235	20.4
159.11697	9.8
159.12823	1.7
161.13246	3.6
163.14795	2.6
173.13243	3.1
173.29048	1.2
177.12708	3.4
181.05000	2.4
184.07333	21.4
185.52274	1.2
195.13823	8.5
209.08189	1.5
241.19667	1.3
243.21149	3.2
261.22098	6.9
267.15948	2.0
269.17474	57.9
317.24719	1.3
335.25784	56.7
347.58313	1.6
358.27502	1.3
413.15536	1.4
469.20212	1.9
470.20847	2.1
529.38892	100.0
530.39203	3.6
547.39630	1.8
549.55658	1.3
563.60980	1.4
589.64069	1.4
726.44678	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	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01870	7.8
55.05508	45.2
57.03436	23.6
57.07057	2.2
59.04992	5.1
60.08160	1.8
61.02913	4.1
65.03922	3.6
67.05499	89.3
69.03419	8.5
69.07063	16.1
70.16225	3.7
70.16618	2.4
71.01341	1.4
71.04975	8.3
73.02908	3.3
79.05488	43.6
80.05811	1.6
81.03412	71.9
81.07053	48.8
81.07533	2.7
83.04975	22.2
83.08617	33.4
85.02901	39.9
85.06529	6.1
86.06077	1.5
86.09706	12.8
87.04469	8.2
91.03952	1.7
91.05476	48.4
93.07040	30.9
95.04374	2.4
95.04959	32.8
95.07993	1.7
95.08599	23.0
97.02883	7.5
97.06514	8.4
97.10159	24.8
99.04462	1.6
99.08089	2.7
103.03925	1.6
103.05486	1.8
105.07024	35.7
107.04968	11.2
107.08582	23.5
109.02861	2.8
109.06522	9.9
109.10151	61.0
111.04408	4.7
111.08056	14.0
113.05998	1.8
115.05447	2.7
117.07008	4.0
117.69264	1.3
119.04923	1.5
119.08581	32.0
121.06486	3.1
121.10131	16.0
123.04392	4.6
123.08074	6.6
123.11698	3.8
125.00041	6.9
125.00848	1.8
125.09623	23.1
127.03881	2.7
127.07541	2.3
129.07013	12.9
131.04985	1.4
131.08565	19.0
133.06462	3.2
133.10120	16.2
133.19533	1.5
135.04384	2.1
135.08078	2.2
135.11684	5.9
137.05937	4.2
137.09601	6.1
139.09959	1.2
139.11169	1.7
141.06898	1.3
142.07771	3.3
143.10645	3.8
145.06421	2.0
145.10060	7.5
147.04410	2.7
147.08034	4.5
147.11674	18.2
149.09622	11.5
151.03906	1.8
151.11154	2.9
153.12726	3.0
155.08502	1.4
155.10625	1.9
157.08792	2.0
157.10106	16.4
159.11702	1.9
161.05986	1.6
161.09569	2.2
163.11171	7.2
165.05559	1.5
165.12778	3.2
167.07083	2.8
167.10641	2.0
173.09633	3.2
173.11729	21.6
175.03894	1.8
175.11177	16.9
177.05443	2.0
177.09036	1.4
181.04907	2.7
181.12228	3.2
184.07321	40.3
189.11157	2.1
191.06973	1.7
191.10664	4.3
193.12231	70.0
199.13290	11.8
207.06427	1.9
209.11700	4.7
211.13283	100.0
217.14323	2.6
227.12791	11.9
229.14331	75.1
230.14633	1.4
249.15097	2.0
255.15851	1.6
265.14468	1.7
267.15909	37.7
283.15378	5.5
285.16949	72.6
286.17191	1.7
301.16434	24.2
313.16428	2.1
317.21027	1.5
319.17352	1.8
349.23776	2.7
353.00345	1.4
382.85309	1.4
391.24661	2.9
401.23111	1.7
409.25711	5.9
421.25732	18.5
427.26682	6.8
439.26868	66.0
447.27078	1.4
461.28488	2.9
475.26956	2.9
493.28137	6.7
511.29129	19.6
529.30170	12.0
676.34875	1.7
726.40289	2.8
738.68909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.4
55.01868	8.2
55.05507	22.4
57.03433	26.6
57.07078	3.4
61.02923	34.4
65.03934	1.7
67.05501	75.2
68.05853	1.7
69.03424	17.4
69.07064	37.8
69.77975	3.0
69.78384	4.7
71.01334	2.4
71.04996	7.6
71.08614	1.6
73.02908	15.6
74.92530	1.1
75.04453	2.2
77.03916	1.8
79.05020	2.3
79.05490	75.8
81.03413	18.4
81.07051	92.0
83.04975	14.9
83.08620	15.3
85.02901	53.1
85.06532	6.6
90.52702	1.3
91.03414	2.6
91.03953	31.9
91.04899	3.0
91.05475	67.7
93.07038	100.0
94.07340	1.5
95.04974	18.0
95.08602	46.2
97.02296	2.5
97.02889	30.4
97.03523	1.6
97.06513	15.9
97.10168	6.0
97.94937	1.2
99.04443	5.7
99.08084	7.4
101.02384	1.3
103.03933	4.6
103.05464	2.7
105.04520	2.6
105.07027	60.3
107.04951	7.9
107.08589	53.2
109.02866	3.7
109.06519	7.0
109.10150	17.3
111.08054	7.0
113.09668	1.4
114.17770	1.2
115.03926	1.6
115.05492	2.5
117.07015	26.3
119.08577	51.5
121.06503	5.2
121.10132	37.5
123.04440	2.2
123.08104	7.5
123.11691	4.8
125.09621	3.6
127.03906	14.3
128.61984	1.5
129.05464	5.0
129.07010	13.0
131.08557	26.5
133.06480	2.6
133.10124	42.2
135.08047	7.7
135.11684	32.8
137.09628	4.1
139.07573	1.6
139.11121	2.3
141.06976	2.5
143.08551	11.7
145.04950	15.6
145.10117	22.6
145.11182	2.3
147.08020	1.7
147.11670	34.1
149.09607	14.5
149.13245	31.1
151.11211	3.6
155.08542	3.0
157.10094	11.7
159.08032	1.4
159.11678	26.7
161.09575	2.4
161.13242	22.3
163.06013	11.9
163.11179	6.9
163.14789	3.5
167.07066	1.7
167.10751	1.7
169.10095	3.3
171.11655	12.3
173.13225	11.8
173.19983	1.4
175.11267	1.4
175.14795	8.5
177.12714	10.5
179.10861	1.4
179.14320	4.1
181.10089	1.3
183.11734	3.4
185.13246	8.0
187.11198	1.8
187.14792	3.7
189.11154	1.7
189.12762	2.2
189.16350	1.8
194.49199	1.4
195.13795	11.2
197.13245	3.9
199.14764	5.2
213.16463	2.4
217.15846	3.6
217.19508	1.7
219.13847	2.5
227.12718	2.2
229.14345	2.5
229.19632	2.8
231.17355	1.8
231.21025	4.3
233.15483	1.5
239.17909	3.1
241.19511	15.1
247.20499	1.7
251.16452	1.3
255.15935	3.5
257.18970	5.9
259.20563	48.1
263.54419	1.5
267.15994	2.1
269.17459	82.3
275.20020	18.3
277.21603	6.8
281.17319	2.9
333.24158	6.7
349.19821	2.1
349.23801	26.7
351.25262	78.9
363.25201	1.4
373.19397	1.3
413.21808	1.7
431.23016	2.3
441.26300	3.9
459.27344	2.5
477.28308	3.8
495.29279	5.4
538.64685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92836	0.4
53.03942	0.7
55.01871	0.7
55.05510	2.1
57.03434	2.0
59.04988	1.4
61.02919	3.8
65.89281	0.4
66.62831	0.4
67.05507	5.2
68.05830	0.4
69.03422	2.2
69.07059	1.5
70.37726	1.6
71.04980	1.6
73.02909	3.2
79.05489	5.6
80.05777	0.4
81.03407	3.4
81.07047	5.5
82.07384	0.8
83.04974	1.5
83.08600	1.3
85.02902	4.8
85.06539	0.8
87.04456	0.9
89.61774	0.4
91.03945	1.9
91.05485	5.0
93.07033	5.3
95.04959	2.2
95.08585	2.7
97.02875	3.4
97.06535	0.9
97.10149	0.6
99.04456	1.0
101.02378	1.4
105.07023	3.0
107.04960	1.3
107.08583	2.4
108.08907	0.5
109.02871	1.0
109.06504	0.9
109.10147	1.9
111.08084	1.2
117.07023	0.5
119.08561	2.0
120.22505	0.4
121.10082	2.0
123.08121	0.4
125.09620	0.6
127.03922	1.5
129.07004	1.5
131.08562	1.3
133.10149	2.0
135.11751	0.6
136.92503	0.4
143.08504	0.5
145.10135	1.5
147.08061	0.7
147.11681	2.6
149.09608	1.4
149.13229	0.6
157.10226	0.9
159.11667	0.6
160.15067	0.4
161.13220	0.9
163.11183	0.5
171.11703	1.1
173.11768	0.4
175.11230	0.9
184.07396	0.7
185.04259	0.6
193.12292	1.4
195.13881	0.6
205.31001	0.4
225.14825	0.8
229.14325	1.0
230.14311	0.4
243.08389	2.6
246.87944	0.4
247.13004	0.9
253.14220	0.4
260.26712	0.4
267.16034	1.1
269.17508	0.9
283.15140	3.3
303.15659	0.5
339.17932	0.7
387.08417	0.6
411.59189	0.4
423.27509	0.8
424.27808	1.5
443.27838	0.4
465.20966	10.3
466.21375	0.9
501.23065	8.5
705.29523	0.5
725.37085	100.0
726.37592	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	724.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05029	0.6
56.88887	0.1
58.06329	0.2
58.06619	0.5
59.07399	0.3
60.08160	5.7
67.05507	0.9
68.05854	0.1
69.07058	0.3
69.59558	0.8
71.07368	2.7
76.08295	0.1
79.05491	0.7
81.03410	0.5
81.07037	0.7
86.09700	27.5
87.10023	0.4
91.05483	0.5
93.07039	0.7
95.04975	0.3
95.08606	0.5
98.98460	3.0
104.10729	1.9
105.07024	0.4
107.08585	0.4
109.06488	0.2
109.10188	0.3
117.07039	0.2
119.08577	0.4
121.10117	0.3
124.99995	18.1
131.08543	0.2
135.30031	0.1
143.01054	0.3
145.10104	0.2
147.11734	0.1
174.08905	0.1
184.07327	100.0
185.07672	1.3
186.07788	0.2
269.17380	0.2
276.20114	0.2
424.93100	0.2
496.33612	0.3
543.36890	0.2
580.05780	0.2
608.43250	0.2
618.28687	0.2
626.44409	0.5
688.45367	6.2
689.45862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05030	0.5
57.03431	0.2
58.06619	0.4
60.08159	5.5
66.38303	0.1
67.05500	1.0
69.07067	0.5
70.87941	0.4
71.07368	3.0
79.05495	0.7
81.03389	0.3
81.07038	1.1
83.08614	0.2
86.09698	30.2
87.10021	0.4
91.05463	0.6
93.07050	0.8
95.04945	0.2
95.08591	0.5
97.06525	0.2
97.10154	0.2
98.98461	3.0
104.10735	2.5
105.07024	0.5
107.08586	0.5
109.10129	0.4
117.06991	0.2
119.08577	0.3
121.10114	0.2
124.99992	19.9
131.04948	0.2
131.08540	0.3
133.10129	0.5
135.11671	0.3
143.01056	0.3
145.10236	0.3
147.11641	0.2
161.13272	0.3
163.11259	0.2
166.02556	0.3
184.07324	100.0
185.07690	1.1
235.18057	0.2
268.41129	0.2
275.19992	0.2
276.20712	0.2
277.21722	0.2
351.72241	0.2
397.99014	0.2
464.23883	0.3
626.44720	0.8
627.46039	0.2
724.34076	0.2
724.45337	3.1
725.44617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98763	0.5
53.03920	2.3
53.70046	0.5
55.01850	2.2
55.05509	7.5
56.43580	0.5
57.03434	10.5
61.02892	0.6
65.03909	0.6
67.05502	11.9
68.02187	0.6
69.03419	2.8
69.07063	3.5
70.16097	1.7
71.04967	1.7
79.05490	13.5
81.03413	60.9
81.07053	14.5
81.07759	0.5
83.04590	0.7
83.04974	7.8
83.08614	15.1
85.02902	7.9
85.06521	1.4
91.05470	16.3
93.07034	9.4
94.07286	0.6
95.04958	20.6
95.08598	6.0
97.02863	2.4
97.06491	1.9
97.10162	3.2
99.08088	1.0
103.46187	0.5
105.07021	12.4
105.72353	0.5
107.04948	6.2
107.07964	0.7
107.08586	6.6
109.06530	2.7
109.10145	3.1
111.04435	1.4
111.08076	7.4
115.05434	0.8
117.06977	2.3
119.04943	1.0
119.08572	12.2
121.06501	3.7
121.10136	5.7
123.04451	0.5
123.08047	2.1
125.09612	2.4
129.07001	8.0
131.04904	1.4
131.08559	9.0
133.06476	3.2
133.10121	6.5
135.08025	1.6
137.09590	2.1
142.07755	2.3
143.08522	1.1
145.06496	3.4
145.10054	1.6
147.08067	3.5
147.11670	8.1
149.09595	4.7
155.08626	0.9
157.06482	0.8
157.10115	10.0
159.11668	0.7
161.05960	0.6
161.09625	0.5
163.11182	1.2
164.79652	0.5
165.12721	1.9
169.09914	0.5
171.08028	0.8
171.11534	0.6
173.09618	0.8
175.11191	10.4
185.09682	0.5
185.13220	0.5
189.11261	1.5
193.12231	25.5
195.11682	1.1
199.11247	0.6
211.11348	0.5
211.13258	14.5
229.14319	1.3
233.15280	1.0
235.13074	0.6
242.79977	0.5
243.13916	0.6
249.14853	2.0
255.13760	1.5
259.13199	0.5
267.15900	100.0
268.16306	1.7
273.14795	4.1
285.16962	15.6
323.18826	0.6
339.23248	0.7
341.21182	0.8
342.59781	0.6
349.21667	2.9
357.24075	0.7
367.22650	9.6
385.23755	11.0
403.24677	3.5
405.24286	0.9
415.24969	0.9
433.25806	13.3
441.26440	6.2
459.27386	69.8
460.27823	1.8
477.28448	42.8
478.28711	0.8
491.30069	0.7
501.28207	0.7
509.30963	0.9
519.29553	1.1
585.30670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01872	16.9
55.05511	26.3
57.03437	20.1
57.07066	4.3
59.04995	1.7
60.08161	1.1
61.02933	5.5
65.03931	1.8
67.05507	36.8
69.03432	8.4
69.07062	11.9
71.01340	2.2
71.04977	3.2
71.51611	2.0
73.02911	7.3
79.05492	33.8
79.79112	1.4
80.06243	1.2
81.03421	33.3
81.07050	23.1
82.04198	6.9
83.01344	1.4
83.04978	18.1
83.08614	13.7
84.02092	1.7
84.05737	1.4
85.02911	6.8
85.06536	2.1
86.09711	1.6
87.04472	1.9
91.03951	2.2
91.05482	26.6
93.07047	26.0
95.04031	1.3
95.04964	22.6
95.08605	15.0
96.05735	1.6
97.02882	8.8
97.06527	10.6
97.10164	20.3
98.07314	7.6
98.07862	1.4
99.04465	1.6
99.08112	1.5
101.06002	1.4
105.04514	1.5
105.07032	16.5
107.04970	9.7
107.08592	21.2
109.02859	1.6
109.06499	6.1
109.10164	16.9
111.04426	4.4
111.08110	8.0
111.08754	1.4
116.04704	16.4
117.05517	1.6
117.07009	6.5
119.08572	13.4
121.06503	3.8
121.10137	10.5
123.04394	2.4
123.08044	7.8
123.11696	2.6
124.99966	1.2
125.06006	1.3
125.09629	23.5
126.04237	1.1
126.73950	1.2
127.03885	1.3
127.11195	2.0
129.05475	40.3
129.06902	6.3
131.08563	7.8
133.06480	1.6
133.10141	9.8
135.08046	3.7
135.11682	10.2
137.09616	5.3
139.07576	1.3
143.07024	8.9
143.10637	3.3
145.10089	7.7
147.08058	4.4
147.11661	7.3
149.09610	4.6
151.11134	2.3
153.09105	2.4
153.12727	3.9
157.08606	17.4
157.10104	7.4
158.05733	2.4
159.11642	1.3
163.11169	14.6
164.11847	1.3
165.12779	2.4
171.06477	3.4
171.10199	6.4
171.53900	1.3
173.09586	3.2
173.11739	6.7
175.11174	6.8
181.12178	2.9
184.07367	4.3
185.08176	1.4
185.11719	3.2
189.09497	1.7
189.11174	12.2
189.12538	1.3
191.10646	6.3
193.12230	10.3
199.09663	1.6
199.13313	10.8
200.14081	4.2
201.12666	1.1
209.11682	9.3
210.12511	2.8
211.13297	3.4
217.14281	2.4
227.12775	20.2
229.14323	5.1
255.15848	2.8
265.14337	1.9
267.15912	17.2
268.16446	1.4
283.15381	14.2
283.65619	1.3
284.16089	2.3
285.16843	2.4
301.16452	100.0
302.16772	4.1
385.23752	2.0
409.25598	1.5
425.25278	2.2
437.25491	1.6
443.26712	2.2
455.26724	5.6
459.27463	10.6
475.26813	2.0
476.27725	1.9
477.28458	10.8
493.27957	6.1
509.27301	5.4
510.28430	5.6
527.28491	56.1
528.28900	3.0
716.88940	1.2
724.39569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01864	4.8
55.05509	18.6
57.03425	6.6
57.07077	2.0
57.53444	1.1
60.08155	5.3
65.03924	1.7
66.07580	1.1
67.05139	1.8
67.05503	36.9
69.03432	9.5
69.07059	10.5
69.52633	4.7
69.53047	4.3
71.04982	5.0
71.07357	3.3
71.08633	21.3
79.05489	34.9
81.03416	40.9
81.07053	43.5
83.04975	14.5
83.08620	13.8
85.02894	8.1
85.06535	2.4
86.09702	34.8
87.10027	4.2
91.05480	30.8
93.07041	42.6
95.04958	17.2
95.08604	26.7
97.02905	10.8
97.06524	7.4
97.10159	6.3
98.21526	1.6
98.98446	2.6
99.04446	3.7
99.08086	17.0
100.42474	1.1
104.10741	3.1
105.07028	21.6
107.04949	8.5
107.08595	22.7
107.72904	1.2
109.02882	6.5
109.06531	4.6
109.10158	7.8
111.04436	4.0
111.08070	5.4
113.09651	1.4
117.07016	6.6
119.08564	17.3
121.06522	2.5
121.10130	20.8
123.08080	3.4
123.11681	3.0
125.00002	22.9
125.09606	3.4
126.00369	2.0
127.03892	6.5
129.05473	2.0
129.06996	6.8
131.08591	10.8
133.06490	1.9
133.10143	14.4
135.11700	21.3
137.09610	2.3
141.09099	2.3
143.08575	2.4
145.10127	4.9
147.07973	1.5
147.11653	10.2
147.84023	1.2
149.09642	3.7
149.13229	6.9
151.11154	8.7
153.12701	1.4
157.10146	7.4
159.11693	2.1
161.13264	6.8
161.37032	1.3
163.11188	5.2
165.12787	2.8
167.10677	2.7
169.10052	1.5
173.04472	1.7
173.13185	2.2
175.11194	8.1
177.12695	2.9
179.14304	64.5
181.12238	2.6
184.07338	100.0
185.07692	14.5
185.13341	1.3
189.12750	1.3
193.12199	11.9
195.13809	1.6
211.13274	19.1
227.12791	3.5
235.16953	2.8
241.19490	1.7
249.14865	2.0
259.20599	4.6
267.15851	12.1
275.20084	2.5
277.21622	53.2
285.16940	5.2
295.22665	3.4
320.44955	1.2
349.24069	1.7
351.25299	34.6
355.17395	4.5
381.82269	1.4
386.19376	1.4
411.20172	3.9
429.21164	12.3
543.36823	30.7
544.36914	1.8
561.37866	18.3
637.32489	1.9
648.15771	1.4
705.41992	35.8
706.41980	3.3
723.43250	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	723.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.4
55.01869	5.2
55.05508	33.5
57.03432	15.6
57.07064	4.3
59.05010	1.9
65.03934	2.6
67.05144	3.9
67.05502	67.2
69.03426	20.9
69.07066	19.6
71.04994	9.8
71.08632	36.5
75.72948	2.0
79.05487	60.9
81.03414	99.3
81.07050	72.1
83.04972	33.0
83.08618	23.6
85.02899	18.1
85.06525	5.3
86.09693	5.1
91.05476	58.9
93.07039	79.2
95.04964	32.7
95.08604	44.4
97.02894	24.1
97.06522	11.7
97.10157	5.3
97.89931	2.2
98.20687	4.1
99.04449	5.4
99.08093	24.8
105.04475	2.7
105.07027	41.0
107.04949	14.8
107.08582	46.5
109.02879	11.2
109.06511	6.7
109.10153	19.4
111.04452	10.7
111.08048	10.8
113.09642	5.6
115.05494	2.0
117.07029	8.8
119.04955	2.4
119.08581	31.2
121.06556	1.9
121.10126	36.7
123.08100	3.3
123.11703	4.9
125.00002	3.6
125.09617	5.9
127.03919	9.0
129.05469	5.7
129.06990	12.6
131.08562	16.3
133.06485	3.7
133.10124	22.3
135.11670	33.8
137.09541	3.9
141.09091	4.8
143.08571	5.5
145.10112	8.6
147.11688	23.3
149.09605	5.7
149.13274	12.3
151.11180	15.6
153.12694	3.7
155.08498	2.0
157.10104	10.7
159.11667	6.8
161.13248	17.9
163.11163	11.8
163.14807	3.4
165.12752	5.0
171.11661	4.0
173.13263	3.7
173.20909	1.9
175.11217	10.2
175.14873	3.1
177.12796	4.1
179.14301	100.0
181.12248	4.0
184.07330	14.7
185.13200	3.4
189.12825	3.0
191.10616	3.2
193.12230	38.4
195.13737	4.7
211.13260	38.1
211.15073	3.7
227.12746	6.8
229.14381	4.0
229.32147	2.3
235.16953	3.0
241.19498	2.5
249.14821	4.2
259.20572	5.4
267.15900	43.9
277.21619	82.6
278.22076	2.8
285.16977	14.5
295.22644	3.7
307.15317	2.0
337.16129	2.1
351.25253	56.0
355.17493	5.0
411.19949	6.4
429.15836	3.6
429.21219	53.7
429.26483	2.2
430.21698	2.8
511.92801	2.1
543.28278	3.8
543.36761	78.7
544.37207	3.3
561.37988	22.6
625.43921	2.5
637.31824	4.8
687.40680	3.7
705.42047	56.5
713.95203	2.3
723.41968	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	723.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01869	8.2
55.05504	26.6
57.03431	18.8
57.07056	4.6
65.03943	4.9
67.05132	3.6
67.05499	70.3
69.03421	20.9
69.07063	22.3
70.65491	6.0
71.04986	9.0
71.08629	40.1
71.85623	1.9
73.02915	2.6
77.03921	1.9
78.44228	1.7
79.05488	68.1
81.03412	100.0
81.07048	74.7
83.04971	30.7
83.08607	30.8
85.02896	18.1
85.06525	4.6
89.80786	2.3
91.05474	57.0
93.07036	73.3
93.47478	2.1
95.04970	34.7
95.07994	2.6
95.08601	53.0
97.02886	26.1
97.06519	14.5
97.10150	10.1
99.04436	4.7
99.08099	25.5
105.07021	48.9
106.67967	1.9
107.04948	17.5
107.08587	36.9
109.02882	11.5
109.06509	9.2
109.10144	22.6
111.04443	13.4
111.08057	13.0
115.05458	2.3
117.07021	11.4
119.04954	2.8
119.08574	37.9
119.09385	3.4
121.06502	4.8
121.10133	36.0
123.08061	4.6
123.11697	3.9
125.09616	6.3
127.03891	10.5
128.06195	2.1
129.05482	4.8
129.07010	10.1
131.08539	18.3
133.06497	6.1
133.10112	23.8
135.08069	4.4
135.11681	33.8
137.09641	3.2
141.06969	2.7
142.07771	2.5
143.08563	4.7
145.06488	3.0
145.10109	9.8
147.08018	5.8
147.11678	20.6
149.09621	11.6
149.13240	10.5
151.11188	14.5
153.12772	4.3
155.08554	2.6
157.10110	13.9
159.11664	6.4
161.09669	3.0
161.13277	15.9
163.11189	8.3
163.14803	3.1
165.12724	5.9
167.10719	2.1
167.42499	2.3
171.11659	5.1
173.04436	3.5
173.13193	3.3
175.11160	12.9
175.14780	2.8
177.12787	6.1
179.14293	93.8
181.12184	5.0
185.13313	3.5
186.46829	2.1
189.12772	3.2
191.10736	3.3
193.12238	37.3
199.14674	3.5
207.13840	2.9
211.13257	58.0
213.16319	2.2
221.15295	2.2
227.12694	4.2
229.14267	2.3
235.16960	3.4
237.62529	2.0
249.14890	4.9
259.20551	5.4
267.15887	43.4
275.20068	5.6
277.21606	84.7
285.16953	16.3
295.22678	6.1
308.57620	2.1
349.23871	2.4
351.25262	59.6
355.17432	5.2
411.20081	8.8
429.21121	51.3
451.31949	2.9
459.27502	2.4
461.29065	2.8
543.36749	69.2
544.36884	5.4
561.29602	3.4
561.37701	31.2
574.00507	2.6
687.40326	3.5
705.41992	57.1
723.40863	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	723.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28241	2.0
51.80708	2.0
53.03939	10.2
55.01876	12.2
55.05510	33.8
57.03441	17.8
57.07060	6.3
59.04995	3.5
60.03938	2.2
61.02930	3.4
65.03934	3.5
67.05502	82.1
67.99551	2.1
69.03438	24.9
69.07069	27.8
71.04996	11.1
71.08632	42.5
73.02901	6.0
79.05491	80.1
81.03417	93.5
81.07055	91.9
81.07539	5.1
83.04983	31.3
83.08149	3.9
83.08616	36.9
85.02900	21.3
85.06532	4.7
91.05477	71.8
93.07042	98.4
94.07375	2.6
95.04971	36.2
95.08604	63.1
97.02892	29.4
97.06532	20.1
97.10152	11.8
98.20725	5.1
99.04442	7.2
99.08092	25.6
105.07034	54.5
107.04955	16.3
107.08587	66.1
109.02877	12.4
109.06512	11.0
109.10146	28.8
111.04445	11.0
111.08093	11.9
111.40845	2.1
113.05994	3.0
113.09639	2.8
115.03886	3.6
115.05515	2.0
117.07019	14.5
119.07806	3.9
119.08579	43.2
121.06522	6.8
121.10146	47.1
123.08064	6.1
123.11719	7.8
124.18262	2.1
125.09618	30.4
127.03913	11.0
129.05463	4.7
129.06984	16.1
131.08560	21.5
133.06503	4.6
133.10136	26.9
135.08047	3.2
135.10721	3.1
135.11690	46.3
137.05940	3.0
137.09619	5.0
139.11136	3.2
141.09142	3.6
143.08533	8.0
145.10091	16.2
147.08051	4.3
147.11699	28.8
149.09631	7.7
149.13232	15.1
151.11165	21.8
153.12781	2.6
157.10101	17.7
159.11723	12.9
161.13271	19.0
163.11119	11.4
163.14818	5.3
165.12749	4.7
167.10703	3.8
171.08064	3.0
171.11693	6.7
173.04378	2.7
173.09558	3.5
173.11760	3.2
173.13202	5.4
175.11159	13.0
175.14754	5.7
177.12685	7.1
179.14307	99.8
181.12260	5.1
183.11656	3.2
184.07285	5.4
185.13249	3.9
187.14888	5.1
189.12747	4.4
189.16397	3.3
191.17941	7.5
193.12225	32.7
195.13777	4.1
199.14870	4.8
201.16374	2.9
202.26242	2.3
207.13904	2.2
211.13252	34.8
215.17970	3.5
227.12749	6.8
229.14374	5.6
229.62820	2.6
235.16939	6.0
241.19449	5.1
259.20633	6.1
267.15906	21.8
269.17596	2.4
275.20010	5.7
277.21628	100.0
285.16940	9.7
295.22607	10.4
333.24435	3.3
349.24213	2.5
351.25284	61.2
355.17474	7.1
393.65253	2.2
405.35260	3.6
411.20160	6.6
421.25681	3.1
423.36301	12.5
429.21225	23.0
441.36926	3.3
461.28711	2.8
543.36810	68.0
544.37177	3.6
561.37811	38.7
615.68732	2.8
625.44159	4.8
687.39618	3.2
705.42029	63.3
706.42389	3.1
723.39209	30.1
752.96747	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	723.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01856	7.5
55.05509	25.5
57.03436	12.5
57.32288	1.6
59.04995	3.3
61.02926	15.6
65.03927	4.3
67.05505	48.0
69.03423	14.3
69.07066	18.9
70.76854	4.1
71.01345	2.3
71.04988	9.7
72.50832	1.7
73.02912	10.3
76.77183	1.6
79.05074	2.8
79.05493	37.4
80.00822	1.5
81.03407	19.0
81.06595	3.3
81.07056	53.5
82.07388	2.2
82.61153	1.6
83.04975	9.7
83.08620	14.5
85.02911	20.2
85.06540	2.9
91.03952	6.9
91.05480	37.3
93.07041	45.9
95.04951	10.8
95.08603	36.2
97.02898	20.9
97.06522	6.9
97.10162	12.2
99.04410	2.1
99.08110	1.7
105.07026	35.3
107.04926	4.7
107.08595	53.1
109.02873	3.5
109.06516	3.6
109.10148	23.0
111.04460	2.8
111.08071	6.3
115.03925	7.0
115.05451	5.0
116.79115	1.5
117.07014	23.0
119.08572	30.8
121.06476	4.7
121.10157	18.9
123.04442	2.1
123.08020	7.0
123.11692	5.6
125.09628	63.3
127.03902	5.5
128.06192	4.7
129.06999	14.5
131.08563	33.8
133.04977	2.7
133.06473	3.3
133.10133	19.3
135.08047	4.5
135.11685	10.7
137.09608	4.4
139.11171	4.7
141.06989	5.4
142.07765	6.0
143.08559	17.1
145.10114	28.1
147.08003	2.9
147.11690	14.6
149.09634	3.9
149.13200	7.4
153.07010	1.7
155.08557	9.5
157.10117	19.3
159.08058	2.0
159.11688	21.3
161.09581	3.3
161.13249	10.7
163.11136	6.3
165.12741	2.3
167.08594	3.5
169.10167	11.7
171.11687	17.7
173.09528	3.5
173.11855	3.0
173.13239	13.1
175.06082	1.8
175.11182	3.6
175.14821	7.2
177.12668	2.4
179.08603	1.6
181.10126	5.9
183.11682	11.0
184.07358	3.2
185.13202	8.7
187.11128	3.0
187.14844	8.2
189.11217	5.3
189.12726	2.3
189.16428	3.9
191.17928	5.5
193.12234	4.9
195.11652	5.6
197.13246	9.2
199.14796	6.2
201.16373	4.7
207.11815	2.8
209.13232	4.6
211.13100	3.7
211.14906	4.2
213.16370	2.3
221.13255	3.2
223.14783	3.3
225.16371	2.3
227.12781	8.1
229.14326	4.5
243.21150	2.5
257.19006	3.1
259.15421	2.9
259.20578	3.2
267.09048	2.9
267.15814	4.1
267.21219	2.0
271.20624	3.0
271.23944	2.1
273.18448	2.2
275.19858	3.0
277.21710	3.2
283.20566	5.7
285.10156	5.9
285.16946	3.3
285.22098	6.4
286.10394	2.2
287.20120	2.0
291.19675	2.8
299.23721	5.5
313.21417	1.9
315.23004	3.4
324.11404	4.8
324.61581	5.3
341.24332	2.1
350.70197	2.3
359.26019	2.7
405.35300	4.3
415.29913	5.0
423.36313	14.3
433.31073	9.3
443.27609	3.6
451.31799	11.6
461.29041	2.6
462.72101	4.6
463.22693	2.8
469.32974	8.2
487.34335	4.4
489.34225	2.4
507.34351	6.5
515.37964	1.9
517.35016	3.6
525.35754	43.4
526.35321	2.3
543.36792	100.0
544.37091	7.1
561.37830	68.8
561.45233	1.4
561.46588	2.4
562.38031	2.9
687.40076	3.2
705.41327	4.1
723.41907	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	722.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05491	0.3
56.05033	0.6
57.03429	0.2
57.07053	0.3
58.06581	1.4
59.07379	1.0
60.08159	5.5
67.05498	0.9
69.03444	0.1
69.07049	0.3
70.06602	0.1
70.76739	0.2
71.07366	2.4
71.08613	0.2
79.05493	0.7
81.03406	0.2
81.07056	0.9
83.05003	0.1
83.08608	0.2
84.04354	0.1
85.32773	0.1
86.09702	26.9
87.10030	0.4
87.17484	0.1
91.05484	0.6
93.07037	0.7
95.04960	0.2
95.07346	0.1
95.08607	0.5
97.06548	0.2
97.10204	0.1
98.98459	2.6
99.08067	0.1
104.10736	2.3
105.07030	0.4
107.04977	0.2
107.08594	0.4
109.10178	0.2
115.05415	0.1
117.07001	0.2
119.08571	0.4
121.10168	0.2
124.99995	16.4
131.08557	0.2
133.10117	0.3
135.11711	0.1
140.91084	0.1
143.01091	0.2
143.08643	0.2
145.10150	0.2
147.11696	0.2
148.43869	0.1
151.11188	0.1
155.39621	0.1
161.13345	0.1
163.01567	0.2
179.14290	0.1
184.07329	100.0
185.07698	1.1
222.08885	1.2
222.10556	0.1
224.10493	0.2
238.08401	0.2
240.10005	0.4
275.20041	0.2
279.71741	0.1
282.11121	0.2
293.21005	0.1
310.32803	0.1
341.12610	0.2
354.13263	0.3
473.27124	0.1
496.34103	0.2
528.37994	0.1
539.39606	0.1
550.34863	0.3
563.74658	0.1
564.36932	0.1
569.33295	0.1
624.43536	0.1
625.44885	0.5
722.45978	4.1
723.46594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01866	4.8
55.05510	12.3
56.05816	0.7
57.03434	12.9
59.04987	1.1
61.02926	1.4
63.61749	0.7
65.03947	1.1
67.05501	22.2
69.03419	4.0
69.07061	7.8
69.41024	4.3
69.41434	1.6
71.01360	1.0
71.04993	5.0
73.02904	1.4
76.34362	0.7
79.05490	23.3
81.03415	60.1
81.07054	25.0
82.07370	0.7
83.01359	1.0
83.04977	9.6
83.08617	15.1
85.02907	7.5
85.06550	2.7
86.09689	0.9
91.05476	21.3
91.06026	1.3
93.07041	29.8
95.04961	21.6
95.08602	22.8
95.09178	1.3
97.02896	7.5
97.06526	5.8
97.10175	4.0
99.04443	3.4
103.05489	0.9
105.07028	15.1
105.07693	1.0
107.04952	13.9
107.08583	18.3
109.02919	1.5
109.06506	5.1
109.10153	6.0
111.04440	7.3
111.08074	6.2
113.06010	1.5
115.05434	1.4
116.10756	0.8
117.07011	8.0
119.04954	1.1
119.07725	0.9
119.08577	17.8
121.06502	7.0
121.10140	13.7
123.04431	1.7
123.08056	3.9
123.11673	1.3
125.06010	3.1
125.09660	2.7
127.03922	1.7
127.07606	0.8
129.06995	7.4
130.07736	0.7
131.04945	1.2
131.08560	8.7
132.09024	0.8
132.41714	0.8
133.06517	1.7
133.10114	7.0
135.08080	3.6
135.11687	28.9
137.05991	1.5
137.09637	2.7
139.07495	1.1
139.11180	0.8
142.07800	1.7
143.08577	2.2
145.06508	2.1
145.10118	18.5
147.04369	0.9
147.08038	4.5
147.11674	7.6
149.09618	4.9
153.01830	1.0
153.12782	3.6
155.08496	0.8
157.10118	7.9
157.11092	0.7
159.08057	0.9
159.11687	1.5
161.09648	1.2
161.13219	0.8
163.07527	1.1
163.11174	42.7
165.09044	1.1
165.12758	1.9
173.09650	2.7
175.11194	6.3
181.12219	8.4
184.07356	3.3
185.13316	0.9
187.11237	0.8
191.10645	3.4
193.12222	19.6
193.13858	1.3
207.13757	1.0
209.11732	4.9
211.13284	12.6
214.18019	3.9
223.13339	4.1
227.12769	43.2
229.14357	1.3
231.13837	0.9
241.14319	6.1
247.13194	0.9
249.15048	1.6
257.73889	0.8
265.14453	2.4
267.15909	79.7
268.16299	2.1
273.14719	0.9
283.15390	61.2
284.15735	0.8
285.16910	9.7
297.17062	1.3
301.10886	0.7
315.18097	7.1
383.22162	3.0
401.23502	1.9
457.25845	7.8
475.26901	100.0
476.27289	3.6
493.27933	14.9
507.29575	5.6
517.27710	1.6
525.30615	15.7
722.38635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03941	1.6
55.01874	4.7
55.05514	11.4
55.30289	0.4
57.03439	10.4
58.15889	0.5
59.04993	1.3
61.02926	0.7
65.03943	1.2
66.74494	0.5
67.05504	15.0
69.03428	2.7
69.07066	3.8
70.76666	1.0
70.77042	0.9
71.01330	0.6
71.04997	2.8
73.05679	0.4
75.73392	0.4
79.05492	17.8
81.03418	41.0
81.07056	15.8
83.01335	3.6
83.04984	7.6
83.08620	13.1
83.09108	0.4
85.02902	3.2
85.06535	1.4
91.05479	15.2
93.07043	18.5
95.04967	15.2
95.08611	7.6
97.02897	2.8
97.06544	3.7
97.10171	7.3
99.04436	0.8
99.08135	0.5
103.05444	0.7
105.04530	0.5
105.07034	11.9
107.04950	8.2
107.08595	10.1
109.02877	1.3
109.06504	4.6
109.10165	4.2
111.04469	2.9
111.08070	4.0
113.06041	0.6
115.05451	1.2
117.07013	5.5
119.04922	1.0
119.07811	0.8
119.08586	10.6
121.06515	4.1
121.10138	7.4
123.04453	1.4
123.08046	4.3
123.08707	0.4
125.06006	0.9
125.09619	5.0
128.06306	0.5
129.07007	6.8
131.04956	1.3
131.08549	7.0
133.06516	1.9
133.10147	4.7
135.08095	2.1
135.11688	5.8
137.05983	1.3
137.09613	1.6
141.07005	0.8
142.07780	1.2
143.08568	1.1
145.06476	2.3
145.10123	8.5
147.04399	1.1
147.08034	3.5
147.11703	4.7
149.05991	0.6
149.09610	3.8
151.03938	0.6
151.07607	0.6
153.09143	0.6
153.12762	2.2
155.08533	1.6
157.06503	0.7
157.10132	5.3
159.08003	1.0
159.11693	1.0
161.06006	3.0
161.09584	1.0
163.11180	11.2
165.12817	1.0
169.10112	1.1
171.08076	1.0
171.11690	0.8
173.05977	1.0
173.09602	3.6
173.13242	0.4
175.07497	0.5
175.11198	3.9
177.12729	0.5
179.10684	0.5
181.12259	1.8
183.11703	0.7
184.07300	0.7
185.13321	0.7
187.11238	0.7
189.09198	0.9
189.11238	2.1
191.10651	2.7
193.10455	0.9
193.12242	10.7
193.13893	0.8
194.12717	0.5
195.11646	0.6
199.11159	0.5
201.12802	0.5
203.10553	0.6
203.14378	0.9
205.12292	1.4
207.13795	0.8
209.09750	0.8
209.11684	4.4
211.11334	0.9
211.13316	3.2
213.12682	1.3
225.12775	0.8
227.12679	3.1
229.12285	0.6
231.13832	1.7
235.11176	0.6
237.11102	0.6
243.13835	1.0
249.14883	0.9
255.13783	0.6
265.14490	1.5
267.15909	26.3
268.16547	0.6
269.15314	1.1
271.13281	1.2
273.14938	2.4
281.17685	0.6
283.15396	24.5
284.15610	0.7
285.17029	2.1
287.16467	0.5
289.14365	3.3
303.15857	0.8
337.21643	0.9
355.22632	1.8
365.21185	3.6
383.22186	16.5
401.23203	9.1
407.24277	0.6
419.24216	2.1
421.23825	0.7
431.24359	1.0
439.24789	1.8
457.25851	26.7
458.26239	1.2
475.26926	100.0
476.27344	3.4
489.28189	0.9
493.27982	14.6
507.29785	1.2
517.27765	0.8
525.30554	0.5
583.28955	0.8
695.46643	0.4
722.37897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05518	1.7
59.04995	42.6
65.03930	1.7
66.76213	1.2
67.05501	18.7
69.03412	9.4
69.07059	7.7
69.36581	8.5
71.04983	2.6
76.32365	1.1
79.05491	9.6
81.03413	5.7
81.07059	7.9
83.04983	3.1
85.02916	2.2
91.05482	11.2
93.07030	10.0
95.04954	10.2
95.08601	44.4
97.02914	2.5
97.06521	16.3
98.20792	2.4
99.04453	2.0
103.05474	2.7
105.03381	2.2
105.07023	12.0
107.04935	8.3
107.08601	2.3
108.05722	1.8
109.02870	37.1
109.03611	1.9
109.06557	1.5
109.10148	44.1
110.10545	1.2
111.04443	1.8
119.04959	5.2
119.08572	21.4
121.06528	2.4
121.10146	23.8
122.03656	1.6
123.04442	2.5
123.08059	67.5
124.08337	1.6
125.06017	4.2
127.03924	2.4
129.07018	3.2
131.04945	4.8
131.08568	1.4
133.06502	1.3
133.07674	1.4
133.10172	1.5
135.08034	1.6
136.05205	1.6
137.05981	32.5
137.09604	35.3
137.10596	2.0
139.03955	2.1
139.11153	6.4
141.09091	18.6
141.10059	1.4
147.04475	1.5
147.08043	8.3
149.05930	5.6
151.03871	2.1
151.07529	30.5
151.08662	1.8
153.01807	9.2
157.06538	3.9
161.05975	7.5
161.09608	1.3
163.07532	14.5
165.09103	50.4
167.08618	3.4
174.06767	3.5
175.03992	1.9
175.07513	5.6
177.05475	2.0
177.09100	20.6
182.96175	1.2
183.10161	100.0
184.10568	1.4
189.09065	10.1
193.10114	2.5
195.08067	5.2
201.11171	11.0
206.04466	2.6
207.06540	2.0
207.10150	1.3
219.10156	1.4
221.09676	2.6
221.11760	3.9
223.07611	2.6
225.09146	2.7
227.10669	11.0
229.05176	1.1
237.09164	2.2
238.06198	1.3
240.07948	1.6
249.09154	1.6
253.08633	4.3
253.12277	4.5
255.10094	8.4
267.10043	2.5
269.08221	1.4
281.11697	2.2
285.11276	6.7
287.12762	16.8
297.11279	1.4
299.12939	1.4
309.13211	2.2
311.12909	5.1
313.14285	13.0
315.14401	1.9
327.14441	3.6
331.15363	60.4
341.13663	1.4
343.15424	7.9
345.15393	9.8
421.16495	2.6
477.22699	3.0
495.23846	7.0
631.15375	1.9
691.17700	10.1
723.20050	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	721.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01878	4.4
55.05510	26.6
57.03429	10.8
59.06115	12.6
62.46922	3.9
65.03945	4.7
67.05502	79.4
68.86957	3.2
68.96457	3.8
69.07076	22.5
69.56387	24.0
75.80267	3.4
76.44569	3.7
79.05489	79.0
79.05933	7.8
81.03413	7.7
81.07050	59.9
83.04980	10.9
83.08612	8.3
83.69202	3.8
85.07646	13.2
91.05479	60.0
93.07039	80.8
95.04977	20.9
95.08603	49.8
97.06502	6.7
97.10172	4.4
98.20805	7.0
105.07019	44.7
107.08578	33.7
109.06548	5.9
109.10156	11.6
117.02061	4.6
117.06998	10.9
119.08571	25.1
121.06457	5.7
121.10162	12.6
123.08129	5.1
128.06239	4.8
129.06984	13.0
131.08556	11.1
133.10138	14.0
135.11679	15.5
143.08575	11.5
145.10126	11.8
147.11687	28.2
149.13240	4.1
161.13217	13.0
161.45186	4.2
169.10165	3.9
171.11694	17.3
173.13295	4.4
177.60461	4.4
184.07246	8.4
189.12784	6.2
189.24153	3.9
204.53696	3.6
207.13800	14.8
278.37811	3.8
281.17480	41.9
335.25800	55.7
336.26025	4.9
512.18463	5.2
541.38898	100.0
542.38684	7.9
566.36560	5.2
568.53674	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.7
55.01873	21.5
55.05276	2.7
55.05513	42.9
57.03437	18.9
60.46171	1.8
61.02915	5.4
65.03941	4.8
67.05505	77.3
69.03429	26.6
69.07068	30.8
69.57540	9.3
69.57951	5.7
71.04992	12.9
73.02885	3.6
79.05492	75.2
80.05814	4.9
81.03416	100.0
81.07056	83.6
81.07531	4.1
82.03741	2.4
83.04980	27.4
83.08614	33.3
84.09039	2.0
85.02896	22.3
85.06528	5.0
91.05478	73.7
92.05789	5.4
93.07044	64.8
94.07352	2.9
95.01357	2.1
95.04966	41.4
95.08604	40.9
96.05249	2.1
97.02881	23.5
97.06532	24.7
97.10161	10.7
99.04428	7.5
99.08081	2.7
103.05428	2.9
105.07024	66.3
105.07701	4.2
107.04929	20.9
107.08589	40.2
109.02881	14.1
109.06516	15.4
109.10150	23.0
111.04459	10.9
111.08094	11.5
111.79659	2.0
113.05962	2.4
115.05456	4.1
117.07026	21.4
118.52890	2.0
119.04983	3.4
119.08581	48.8
120.08954	2.4
121.06509	10.7
121.10146	25.1
123.04436	3.0
123.08055	11.7
123.11688	7.4
125.09640	14.7
127.03897	15.2
128.06230	4.2
129.05493	3.6
129.06993	19.9
131.04958	2.7
131.08562	32.2
133.06491	7.8
133.10136	33.6
135.08031	11.0
135.11703	14.2
137.05937	2.9
137.09618	6.1
139.11131	2.1
141.06987	4.8
142.07771	6.3
143.08626	11.4
145.06447	5.0
145.10114	25.7
147.04381	3.0
147.08034	10.7
147.11699	30.9
148.08453	2.1
148.11934	2.9
149.05890	3.1
149.09613	22.3
149.13239	7.8
151.11143	5.2
153.12793	4.1
155.08519	7.6
157.10115	17.5
159.08084	4.9
159.11667	14.2
161.09616	8.6
161.13280	7.6
163.11172	16.2
165.12766	5.8
169.10135	7.6
171.08002	3.4
171.11646	12.3
172.12105	3.7
173.04472	14.3
173.09637	4.4
173.11824	2.8
173.13271	5.2
175.11185	15.3
177.12733	2.9
179.08501	3.1
183.11731	5.1
185.13266	3.5
187.11214	5.8
187.14853	3.9
189.11198	6.7
189.12750	4.6
191.10654	3.8
193.12222	31.8
194.12398	2.5
195.11737	3.7
197.13297	6.6
197.70090	2.1
199.11172	4.4
207.13818	4.8
208.14166	2.9
209.11607	3.4
211.11313	4.4
211.13243	39.2
211.15033	3.4
223.13319	2.0
225.25316	1.9
227.12732	11.8
229.14310	4.9
229.19586	3.3
239.18002	2.8
247.20605	4.8
257.18970	8.7
259.20621	3.5
267.15927	28.4
268.16235	5.5
271.20883	2.5
273.18558	4.5
275.20065	72.5
276.20419	2.6
281.17526	8.4
282.17792	7.3
283.15231	3.7
285.16803	11.4
293.21140	9.6
297.22144	2.3
339.18356	2.8
343.23123	3.0
349.23715	39.1
355.17688	4.0
357.84250	2.2
401.22980	2.3
410.82047	2.4
411.20181	3.3
429.20956	8.6
449.30606	3.4
461.28793	4.4
467.31427	3.4
473.29099	7.3
474.29324	27.3
475.56335	2.0
485.32510	3.2
513.35425	3.4
523.34271	4.0
541.35248	43.8
542.35120	4.8
559.36066	28.4
589.41260	3.2
623.33704	3.1
667.38129	4.1
685.39233	4.2
703.40509	26.2
704.40417	3.5
721.41370	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.2
54.08078	1.6
55.01868	15.1
55.05508	37.4
57.03431	17.8
57.07070	3.2
59.04993	3.4
61.02922	3.0
65.03932	4.9
67.05502	66.1
69.03428	28.6
69.07066	26.7
69.60529	4.9
69.60953	6.4
71.01350	2.1
71.04985	11.2
73.02907	3.7
79.05492	67.3
81.03414	100.0
81.07050	91.4
82.07399	1.6
82.51334	1.6
83.04970	27.8
83.08613	32.8
83.94983	1.5
85.02903	22.6
85.06546	6.7
91.03933	1.9
91.05476	71.8
93.07039	69.0
93.07640	2.9
95.04962	40.3
95.08601	51.8
97.02887	21.7
97.06528	23.7
97.10170	13.0
98.21529	2.4
99.04459	9.6
99.08083	3.9
103.05463	2.4
105.06316	3.8
105.07024	69.5
107.04958	26.5
107.08589	40.8
109.02873	15.0
109.06522	23.5
109.10149	22.2
111.04431	13.8
111.08065	16.5
113.05988	3.2
115.05453	5.4
116.10735	2.0
117.07004	21.8
119.04892	1.8
119.08578	56.5
120.08900	1.7
121.06509	10.6
121.10133	30.0
123.04417	5.9
123.08054	9.1
123.11711	10.1
125.05994	2.6
125.09627	12.0
127.03929	12.5
128.06171	3.1
129.05511	2.8
129.06985	18.0
129.83517	1.5
130.07843	2.3
131.04912	2.1
131.08560	31.6
133.06482	7.0
133.10127	35.0
135.08040	13.2
135.11682	20.1
137.05989	7.0
137.09595	6.8
139.03873	1.6
141.07082	2.4
142.07764	2.5
143.08522	10.5
145.06493	5.5
145.10117	29.8
147.04405	4.0
147.08040	6.7
147.11682	34.5
149.05946	3.5
149.09612	20.4
149.13232	5.5
151.11156	5.5
153.12709	3.3
155.08539	7.3
156.09279	2.2
157.10123	21.2
159.08038	4.6
159.11694	13.0
161.09610	7.0
161.13254	6.3
163.03844	2.2
163.07558	2.3
163.11179	23.1
163.14836	3.3
165.09128	2.3
165.12752	9.0
167.08527	2.0
169.10136	8.4
171.11632	8.7
173.04482	5.6
173.09624	5.0
173.13190	9.9
175.11201	17.6
175.14857	1.9
177.09122	2.2
177.12691	4.3
181.12267	7.9
183.11635	5.2
185.09569	3.1
185.13219	4.0
187.11221	5.2
187.14795	2.5
189.11194	5.2
189.12766	3.7
191.10649	4.7
193.12230	36.0
195.11751	2.6
195.13777	1.8
197.13184	3.3
199.11143	2.7
201.12836	3.2
201.16403	2.8
205.12267	2.6
207.11803	2.6
209.11719	2.2
211.13251	41.9
214.17990	2.6
217.12199	2.7
219.13702	1.9
227.12749	17.5
229.14409	4.5
229.19501	3.7
237.11520	1.8
239.17915	6.3
247.20607	4.5
249.12419	1.9
249.14923	2.7
257.19043	13.9
259.20328	2.0
267.15903	45.9
275.20053	85.5
276.20419	2.3
283.15381	13.9
285.16971	13.7
293.21121	11.3
331.22736	4.6
334.11014	1.7
337.16095	2.5
349.23718	39.3
355.17389	5.7
367.24750	4.5
383.22235	2.9
393.19113	2.1
397.08099	1.9
401.23151	6.3
411.20001	3.2
429.21210	14.3
449.30237	2.5
467.31424	2.8
475.26871	29.1
493.27908	3.3
515.33478	1.7
523.33557	3.1
541.35272	33.8
559.36279	35.1
577.36847	5.8
685.39282	4.9
703.40387	20.4
704.40442	2.7
721.41620	18.9
722.40973	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	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96015	2.1
53.03942	11.5
55.01640	2.7
55.01875	27.0
55.05510	38.2
57.03436	16.2
57.46766	2.1
59.05003	2.3
61.71207	2.2
65.03921	4.5
67.05502	72.2
67.79562	2.3
69.03429	34.5
69.07067	30.1
71.01308	2.1
71.04986	13.0
75.03350	2.4
79.05488	62.6
81.03414	100.0
81.06592	4.0
81.07053	67.7
83.04975	27.6
83.08610	28.1
85.02505	2.3
85.02912	23.5
85.06525	7.1
91.05477	80.7
93.06491	4.3
93.07043	54.5
95.01292	4.2
95.04966	32.3
95.08600	42.3
97.02888	24.1
97.06525	39.3
97.10148	17.1
98.20812	8.3
99.04454	6.5
99.08067	4.5
103.05455	2.5
105.07027	70.4
107.04952	19.5
107.08584	35.4
109.02882	14.0
109.06503	10.2
109.10174	20.1
111.04433	11.5
111.08073	12.8
113.06010	2.8
115.05452	4.6
117.07021	27.5
119.04958	2.3
119.08575	47.9
121.06504	10.2
121.10138	21.7
123.04443	4.7
123.08014	7.1
123.11692	6.3
125.09650	11.1
127.03912	12.1
128.06209	5.1
129.05490	5.2
129.06996	20.2
131.08563	34.9
133.06488	7.9
133.10130	39.0
135.08041	7.6
135.11714	14.4
137.05884	3.6
137.09584	7.3
139.11151	2.4
141.06981	5.3
142.07715	3.8
143.08521	12.6
145.06451	7.7
145.10129	28.4
147.08051	5.2
147.11674	26.4
149.09596	19.2
149.13258	7.5
151.07477	2.5
151.11157	3.6
153.06955	2.8
153.09067	2.7
153.12759	3.3
155.08546	7.1
157.10132	16.6
159.08023	4.9
159.11714	18.2
161.09598	5.3
161.13193	6.4
163.11211	12.6
165.12744	4.8
169.10114	7.7
171.11674	7.6
173.04451	15.5
173.09589	4.5
173.13246	7.6
175.11198	14.6
175.14848	3.3
177.12727	4.2
179.14252	6.3
181.12279	5.0
183.11708	5.5
185.13211	3.0
187.14787	4.2
189.11237	3.7
193.12218	29.0
195.11812	3.2
197.13252	4.1
199.11108	3.5
199.14796	3.1
201.12663	2.6
211.13266	38.3
211.15044	4.3
227.12785	9.7
229.14284	3.7
229.19498	3.9
239.17896	4.0
247.20511	5.7
257.19006	10.2
267.15814	17.8
269.17328	2.8
275.20062	82.5
283.15372	4.0
285.16949	16.2
293.21017	9.8
299.20102	3.6
341.20935	3.4
349.23715	40.8
357.23410	2.5
411.20581	3.5
429.21024	9.1
461.28857	4.3
467.32141	3.4
479.30038	7.8
485.32211	5.3
541.27252	2.7
541.35370	41.2
542.35248	4.1
559.36249	34.7
560.36292	4.0
623.33472	4.1
625.36249	3.0
672.09229	2.7
685.38898	4.0
703.40466	26.0
721.41241	13.1
729.09045	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	721.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	2.1
53.03943	14.7
55.01873	19.4
55.05509	46.0
57.03429	22.1
57.07058	3.1
58.23041	1.6
61.01839	1.7
61.02909	4.4
64.95703	1.7
65.03925	5.5
65.66335	1.8
67.05502	79.5
68.05806	2.2
69.03428	28.9
69.07059	29.4
69.92876	6.4
69.93282	3.6
71.04996	13.4
73.02902	4.4
73.06560	2.5
77.03934	2.1
79.05486	79.7
81.03414	100.0
81.07052	86.6
81.07536	3.8
83.04972	28.8
83.08138	3.5
83.08607	31.3
84.36351	1.8
85.02899	28.8
85.06532	3.7
91.04902	4.2
91.05475	81.6
93.07037	66.5
95.04960	36.5
95.08603	38.6
97.02882	25.2
97.06528	22.7
97.10175	13.7
98.20874	2.0
99.04440	11.0
99.08082	2.9
100.05638	1.9
102.63733	1.8
103.05470	3.6
105.07023	61.6
107.04945	24.6
107.07881	3.1
107.08577	39.4
109.02872	16.6
109.06522	12.9
109.10152	27.3
111.04430	10.0
111.08070	14.5
113.05992	3.2
115.05431	3.6
117.07008	24.3
119.08574	50.0
121.06487	8.7
121.10133	28.0
123.08063	10.6
123.11687	4.3
125.09621	14.7
127.03908	15.6
128.06242	5.2
129.05479	4.3
129.06952	18.6
131.08556	36.1
133.06506	5.4
133.10129	38.7
135.08040	12.3
135.11687	11.8
137.09593	8.9
141.06952	4.4
142.07767	4.4
143.08559	14.2
145.04938	2.9
145.06448	4.5
145.10120	22.0
147.08009	7.7
147.11658	31.3
149.06020	2.2
149.09624	22.5
149.13222	4.8
151.11151	4.4
153.09088	2.6
155.08563	8.0
157.06564	2.8
157.10127	19.0
159.08096	3.5
159.11671	16.4
161.09648	4.3
161.13243	6.7
163.11148	13.5
165.06929	2.1
165.12735	4.9
167.08585	3.3
169.10020	4.3
171.08017	2.8
171.11702	9.5
173.04446	19.8
173.09625	4.7
173.11806	3.5
173.13235	8.4
175.11183	18.8
181.10095	4.1
181.12256	3.1
183.11696	7.9
185.13226	6.7
187.11203	5.7
187.14742	3.7
189.11208	7.4
189.12764	3.8
191.10674	2.1
193.12222	35.9
195.11638	3.6
197.13264	5.9
199.11208	2.8
209.13356	2.5
211.13258	41.3
213.12811	2.3
227.12666	13.8
229.14278	4.5
229.19522	5.7
233.15451	2.7
239.17908	4.6
247.20523	4.9
257.19034	11.6
259.20502	2.3
267.15924	23.9
273.18576	4.7
275.20050	89.0
276.20276	2.3
279.57520	1.9
285.16949	18.9
293.21109	7.7
299.19974	4.8
313.21609	4.0
331.22861	2.2
349.23715	38.0
355.17682	2.3
373.23392	3.0
383.22205	3.0
411.19925	4.5
429.20953	8.0
431.29224	3.9
449.30316	2.7
455.88705	2.3
461.28906	5.0
466.46017	2.1
467.31741	3.2
479.29810	2.4
485.32458	3.4
490.36676	2.2
523.34442	4.6
541.35345	39.9
542.35663	4.0
548.47998	2.0
559.36322	42.4
560.36383	3.1
577.37518	4.7
623.34131	4.5
644.09460	2.4
667.37781	2.6
685.39252	4.8
703.40540	20.8
704.40045	3.2
721.41229	19.8
722.40991	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51793	0.6
51.93135	0.7
53.03934	1.8
54.95861	0.7
55.01862	2.7
55.05510	14.3
57.03434	14.0
57.07074	28.5
59.04961	0.6
60.22759	0.8
61.02928	4.3
61.96203	0.6
65.03924	1.2
67.05501	23.5
69.03436	3.5
69.07073	9.8
69.31444	6.1
71.04977	3.1
71.08630	21.0
73.02918	1.7
76.86697	0.6
79.05492	15.7
81.03417	44.0
81.07053	26.8
81.07536	1.1
83.04977	11.5
83.08617	19.4
85.02903	20.7
85.06539	2.0
85.10173	12.7
86.09720	1.1
87.04468	1.2
89.06019	1.2
91.03942	2.0
91.05479	22.3
92.05840	0.9
93.07043	13.0
95.04965	16.3
95.08598	21.4
97.02884	3.9
97.06525	2.5
97.10187	5.1
103.07576	1.2
105.07028	15.2
107.04966	4.5
107.08587	5.2
109.02924	0.8
109.06522	3.1
109.10162	7.9
109.21223	0.7
111.04491	1.5
111.08075	8.2
111.11707	0.7
113.05997	2.6
115.05457	1.1
117.07005	0.9
119.08572	14.8
119.09389	1.3
121.06483	1.3
121.10139	7.2
123.08074	1.4
123.11709	3.4
125.09642	0.8
129.06992	8.2
131.08559	7.5
133.06541	1.6
133.10126	8.5
137.09625	1.1
137.13245	0.7
142.07756	2.5
145.10060	1.3
147.08061	1.8
147.11679	9.7
149.09612	4.0
157.10123	8.9
163.11261	0.8
165.12810	1.9
168.47165	0.7
175.11171	9.3
184.07368	3.1
193.12234	33.4
203.01192	0.7
211.13277	57.0
212.13672	0.8
239.23712	2.4
249.15027	0.9
257.24866	1.3
267.15884	16.5
267.18607	1.2
275.88983	0.9
285.16953	71.6
286.17447	1.2
313.27347	76.6
314.27658	1.2
465.35733	1.5
505.38910	14.3
506.39139	0.7
516.06604	0.7
521.37915	0.8
523.39923	100.0
524.40326	3.8
536.64441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03944	4.0
55.01871	2.2
55.05509	7.7
55.26198	0.8
57.03438	7.4
61.56588	0.8
65.03932	1.2
67.05508	22.0
69.03430	2.0
69.07066	5.1
70.55943	1.9
71.04980	2.1
73.06541	0.9
79.05493	29.7
81.03420	41.7
81.07056	19.3
81.07532	1.4
83.04981	5.9
83.08627	8.9
85.02904	1.4
85.06569	1.8
91.05478	27.4
93.07043	28.2
94.09692	0.9
95.04967	19.3
95.08612	12.0
97.02902	2.2
97.06515	1.4
97.10184	2.0
105.07031	20.8
107.04948	5.2
107.08569	9.2
109.06530	4.2
109.10154	2.0
110.06812	0.7
111.04424	1.2
111.08079	2.0
113.06043	0.9
115.05409	1.4
117.07020	4.5
117.33884	0.7
119.08585	13.3
121.06501	2.5
121.10138	4.8
123.08057	3.1
128.06259	1.6
129.07005	10.9
131.08583	4.5
133.06514	1.2
133.10158	4.7
135.08034	1.2
135.11720	1.5
136.08347	1.0
143.08586	3.6
145.10135	4.8
147.08067	2.9
147.11690	15.9
149.09598	1.7
155.83635	0.8
157.10098	4.6
159.11632	1.0
161.09625	1.8
161.13188	4.5
163.11240	1.2
171.11708	8.9
175.11221	3.6
189.12764	2.9
193.12231	8.7
207.13783	9.3
211.13362	1.7
249.14955	2.0
267.15915	35.6
268.16177	1.2
270.32239	1.0
274.18735	0.9
278.33249	0.9
281.17471	36.5
282.18008	1.1
291.19595	1.7
292.19876	1.5
315.58060	0.8
321.90186	0.8
344.18396	0.8
473.28983	100.0
474.29437	5.1
475.97531	1.0
491.29968	1.5
515.29919	1.8
629.20300	0.9
720.40259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01864	9.9
55.05511	18.5
57.03434	13.9
57.07079	3.5
65.03929	4.6
67.05505	78.4
69.03433	14.8
69.07063	25.7
69.49054	2.8
70.88225	6.0
71.04981	8.6
71.08633	37.3
72.41061	2.8
79.00141	3.0
79.05495	88.6
81.03416	41.3
81.06597	5.7
81.07055	90.5
83.04982	25.9
83.08630	19.4
85.02900	12.5
85.06536	6.6
86.09689	6.5
91.05484	82.8
93.07043	100.0
95.04964	26.0
95.08603	54.0
97.02926	8.1
97.06525	14.8
97.10172	8.0
99.08099	25.9
103.77808	3.9
105.07034	64.9
107.04974	23.2
107.08587	49.0
109.02853	9.5
109.06502	9.1
109.10136	17.7
111.08089	5.1
115.05454	5.9
117.07018	23.4
119.08593	38.6
121.06500	5.9
121.10152	34.4
121.22470	3.0
123.08074	8.5
123.11695	5.4
125.00043	4.6
127.03930	6.6
128.06213	7.8
129.06990	20.5
131.08534	22.6
133.06525	7.2
133.10120	30.3
135.08037	5.9
135.11671	35.4
137.09605	4.9
141.06967	7.4
141.09106	4.4
143.08636	17.4
145.06454	5.9
145.10127	15.7
147.04440	4.0
147.08023	4.7
147.11690	20.3
149.09647	5.0
149.13255	10.1
151.11169	11.6
151.91469	2.8
157.10104	13.1
159.11685	11.6
161.05934	4.1
161.09668	6.2
161.13274	22.7
163.11162	10.2
167.08571	6.7
169.10188	4.3
171.08022	9.5
171.11694	11.6
173.04521	6.3
173.09653	3.6
173.13268	6.0
175.14870	5.3
177.12794	4.9
179.08649	3.3
179.14311	83.6
181.10031	3.9
183.11673	3.8
184.07298	14.7
185.09628	3.6
185.13235	7.5
187.11229	4.3
189.12694	5.1
199.14893	4.2
213.05414	11.4
213.16447	3.7
221.15331	4.6
223.14819	4.5
239.06938	4.1
241.15924	6.1
241.19501	6.2
259.17035	4.1
259.20541	10.1
267.15906	4.0
269.15359	9.5
270.20782	3.3
277.21661	62.7
281.17447	10.7
287.16455	16.4
289.17880	4.0
291.19400	4.7
295.22635	3.4
313.26996	3.4
333.24268	6.0
343.19128	4.1
351.15839	15.2
351.25238	32.0
361.20242	6.5
369.16785	5.8
376.66089	3.6
407.20343	4.3
422.71454	3.4
425.21600	16.7
557.38678	33.1
621.41748	3.5
701.41608	17.9
719.40460	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	719.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01870	4.9
55.05511	21.2
56.92054	1.5
57.03442	10.3
57.07076	4.1
61.02923	12.1
65.03938	2.4
67.05502	47.8
69.03422	5.9
69.07063	14.2
70.65443	5.5
71.04992	5.2
73.02912	4.9
75.22911	1.7
79.05489	50.7
81.03407	8.0
81.07051	41.5
83.04980	9.2
83.08617	10.8
85.02896	9.4
85.06543	2.8
91.03952	3.6
91.05479	50.8
93.07037	48.6
95.04969	13.5
95.08606	26.8
97.02867	8.0
97.06519	4.8
97.10173	3.9
103.05447	2.3
104.66889	1.5
105.07025	46.5
107.04970	4.4
107.08574	23.0
109.02908	1.6
109.06512	2.6
109.10163	10.3
111.08058	2.8
116.06228	1.5
117.07008	16.1
119.08568	35.5
121.06460	2.0
121.10150	11.6
123.08081	4.4
125.09599	1.8
127.03900	1.8
128.06194	2.5
129.06996	19.9
130.07741	3.0
131.08554	21.9
133.06429	1.8
133.10121	23.5
135.08043	2.4
135.11647	8.2
137.09653	2.5
141.06984	6.1
142.07765	3.6
143.08537	19.3
144.09363	2.1
145.06506	1.8
145.10120	23.3
147.08115	1.9
147.11687	30.0
149.13269	4.6
153.07002	2.4
155.08534	17.5
157.10133	16.5
159.11678	17.3
161.09633	3.1
161.13231	15.6
163.11188	2.4
167.08540	5.4
169.10117	15.5
170.10854	1.9
171.11694	27.8
173.04422	2.0
173.09601	2.1
173.13255	11.1
175.14822	7.6
177.12660	3.1
179.08510	2.4
181.10109	10.8
183.11711	12.2
185.13214	12.1
187.14839	5.0
189.12737	5.9
191.29428	1.6
193.10144	1.8
195.11693	7.0
196.12221	1.8
197.13255	12.8
199.14717	7.7
207.11809	3.6
207.13811	10.1
209.13252	6.1
211.14828	5.7
213.16360	4.7
215.17949	2.2
221.13258	3.6
223.14841	6.6
235.14876	2.5
237.16245	2.2
241.19513	12.5
257.19141	2.1
259.20544	23.3
261.22067	2.8
279.15771	3.9
281.17438	30.1
297.22021	2.5
315.23181	3.0
323.23523	2.7
325.21579	2.2
333.24152	18.0
336.23926	1.9
419.33066	2.3
429.31360	3.9
437.34232	9.4
447.32672	15.7
465.33716	13.8
483.34653	11.6
489.32819	1.9
501.35181	2.1
511.37857	3.6
521.36224	7.8
529.38800	9.2
539.37292	100.0
540.37579	4.7
557.38318	63.3
701.42523	9.3
719.43671	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	719.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
52.33389	1.7
53.03935	7.5
53.45898	1.6
55.01865	8.7
55.05509	32.4
57.03440	10.6
57.07072	4.4
61.02919	15.0
65.03937	4.9
67.05503	61.6
68.05817	3.2
69.03436	12.9
69.07066	19.3
71.04982	6.6
73.02897	6.7
79.05493	57.1
80.05814	2.7
81.03416	28.7
81.07050	54.6
83.04975	8.0
83.08619	17.0
85.02894	17.9
85.06514	3.6
89.69586	2.2
91.03938	6.5
91.05480	58.7
92.05809	2.2
93.07040	56.9
95.04965	16.3
95.08604	38.2
97.02901	11.1
97.06520	7.8
97.10157	8.8
98.21531	4.6
99.04438	5.0
99.08040	1.8
100.32953	2.1
101.02365	2.4
105.04525	2.6
105.07025	52.8
106.07362	2.6
107.04934	10.3
107.08598	31.3
109.02863	4.1
109.06513	6.0
109.10141	18.6
111.04443	5.1
111.08061	3.2
115.05469	3.4
117.07018	20.5
119.08579	38.5
121.06548	5.1
121.10139	12.6
123.04436	2.5
123.08056	8.7
123.11720	3.6
125.09647	4.8
127.03887	5.9
128.06223	5.1
129.07004	24.0
131.08565	27.2
133.06499	4.6
133.10129	27.0
135.08049	4.0
135.11673	12.6
137.09576	3.4
138.71858	2.0
141.06981	8.5
142.07643	2.3
143.08548	22.3
143.10435	2.0
145.06473	3.3
145.10123	32.5
147.08055	3.8
147.11691	26.5
148.12146	2.4
149.09642	4.5
149.13222	5.0
151.11147	3.4
155.08556	13.5
156.09250	3.8
157.10133	18.2
159.11688	20.5
161.09608	5.1
161.13231	13.4
163.11160	8.9
165.06950	2.3
166.07777	2.3
167.08557	2.7
168.09273	2.4
169.10165	20.3
171.07973	3.3
171.11694	30.0
172.12007	2.3
173.04477	5.9
173.09673	3.0
173.13196	12.9
175.11195	3.5
175.14757	5.2
179.08626	2.1
179.14360	2.9
181.10136	7.9
182.10796	2.5
183.11618	13.7
185.13222	14.2
187.11150	3.0
187.14806	5.8
189.11237	2.5
189.12737	3.8
193.10107	2.6
195.11699	9.6
197.13239	10.4
199.14767	6.7
207.11826	3.1
207.13835	7.6
209.13263	6.9
211.14853	8.1
213.16296	4.7
219.11635	3.3
219.13618	2.2
221.13278	5.6
222.14053	2.2
223.14830	5.5
225.16435	3.0
227.12729	10.7
229.14241	4.2
237.16385	4.9
239.17947	3.1
241.19498	6.3
251.17903	3.1
257.19086	3.0
259.20560	15.7
275.20084	10.3
276.20328	2.7
281.17413	21.5
283.15479	2.6
309.22144	2.5
321.22131	2.5
323.23624	3.6
333.24335	12.5
335.23480	3.4
337.25330	2.5
339.23514	2.7
349.24390	2.5
353.24805	4.5
417.83456	2.1
419.33160	4.5
429.31406	4.9
437.34088	5.5
447.32742	14.2
465.33649	16.9
483.34940	9.8
501.35840	3.4
521.35931	7.6
529.38953	11.4
539.37286	100.0
540.37476	4.5
543.36841	2.8
557.38483	78.6
605.62408	2.7
678.91779	2.3
701.42767	13.8
719.40723	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	719.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
51.54574	1.8
53.03934	7.2
55.01871	16.7
55.05275	2.2
55.05511	30.7
57.03441	20.9
57.07067	2.7
61.02894	2.2
65.03934	4.0
67.05503	61.4
69.03430	26.6
69.07063	17.1
69.98744	5.8
71.01335	2.2
71.04986	9.5
73.02922	2.5
77.03938	2.2
79.05493	52.8
79.23853	1.7
81.03418	100.0
81.07056	70.2
83.04979	27.1
83.08614	20.5
85.02903	21.0
85.06532	9.8
91.05481	56.3
93.07043	46.6
93.07632	1.9
95.04967	58.8
95.08602	27.4
97.02894	24.9
97.06523	14.7
97.10157	15.1
99.04451	5.3
99.08077	3.1
103.05428	4.1
105.07034	45.2
107.04959	19.5
107.08594	26.1
109.02870	17.3
109.06515	36.9
109.10162	14.0
111.04436	17.3
111.08080	11.5
113.05993	22.2
115.05460	3.8
116.06212	1.7
117.07009	20.2
119.04909	2.4
119.08580	37.7
121.02821	2.3
121.06509	12.7
121.10139	17.3
123.04410	4.5
123.08086	14.1
123.11732	3.8
125.05964	1.5
125.09670	12.4
127.03920	10.2
128.06198	6.8
129.05493	3.8
129.07001	17.8
131.04893	2.5
131.08571	24.2
133.06462	10.0
133.10120	20.4
135.04324	2.4
135.07124	2.6
135.08058	28.6
135.11687	11.2
137.05994	3.2
137.09599	9.2
139.11179	1.7
141.06940	5.8
142.07764	4.1
143.08545	12.2
145.06461	6.8
145.10112	20.1
147.04378	2.9
147.08044	14.4
147.11694	15.3
149.05978	2.8
149.09605	13.9
151.07545	2.5
151.11115	1.8
153.09055	2.6
153.12723	5.4
155.08530	4.9
156.09317	1.5
157.06471	3.2
157.10115	18.6
159.08046	6.3
159.11650	8.8
161.09616	15.4
161.13254	2.1
163.07535	5.2
163.11174	14.8
165.09082	4.3
165.12740	3.4
166.07793	1.5
167.08562	2.5
169.06581	1.7
169.10091	3.6
171.08037	3.9
171.11665	7.5
173.04442	4.4
173.05875	1.9
173.09616	8.7
173.13144	2.7
175.07477	2.1
175.11176	14.6
175.78223	1.7
177.09128	2.3
177.12782	2.3
179.10564	2.4
181.10062	2.9
181.12245	5.2
183.11644	5.0
184.07353	2.3
185.09612	3.9
185.13229	2.7
187.11159	2.5
189.09175	1.8
189.11160	7.8
189.12737	3.6
191.03377	1.6
191.10657	5.6
193.12236	31.8
195.11678	2.2
199.11172	4.6
199.14803	3.4
201.09126	1.7
201.12737	3.2
203.14293	2.3
205.12184	2.9
209.09764	1.8
211.11351	2.2
211.13258	45.1
213.09071	2.0
213.12776	2.5
217.15874	6.0
219.13741	2.7
223.13269	2.0
227.12685	12.9
231.09981	2.1
245.19009	2.7
249.14810	4.1
255.17351	3.8
267.15863	9.5
271.16983	2.1
273.15256	2.7
273.18463	50.5
275.19980	4.2
283.15527	4.0
285.16846	10.5
291.19540	77.9
297.14398	1.7
303.05020	3.7
309.20581	2.0
311.19962	2.2
315.19589	3.8
329.21094	2.4
337.16455	3.4
339.19150	2.1
347.22153	16.6
353.21088	3.1
355.17596	5.8
363.19379	1.7
365.23587	7.6
381.20596	6.1
388.28073	1.7
399.21622	4.5
411.19904	4.4
427.19785	1.9
429.21191	5.6
455.24402	1.9
465.29749	2.2
473.25235	3.3
491.26059	3.1
499.46902	1.8
523.29352	1.7
539.33557	6.4
557.34760	20.2
575.35370	10.5
665.36340	7.3
671.36053	1.9
683.37958	9.0
701.39105	12.4
719.40076	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.3
55.01869	18.3
55.05506	48.3
57.03432	14.6
57.07055	2.4
59.04986	3.0
65.03934	7.0
67.05501	76.1
68.05809	2.2
69.03423	32.1
69.07064	36.4
70.07401	1.8
70.25085	5.8
71.01352	3.3
71.04978	13.9
71.08627	1.7
72.26384	1.9
73.02900	2.3
74.42248	1.7
79.05489	68.7
81.03412	100.0
81.07052	69.5
81.07538	3.5
82.07388	2.7
83.04977	24.2
83.08617	28.2
85.02896	23.7
85.06540	4.4
89.04679	1.8
91.05470	63.8
91.38246	1.9
92.05816	2.2
93.07037	57.5
95.04964	31.6
95.08598	30.3
97.02890	27.9
97.06516	9.1
97.10161	24.3
99.04440	8.7
99.08086	2.4
103.05433	2.7
105.03327	2.1
105.07023	42.7
105.07702	3.0
106.07330	1.9
107.04956	20.9
107.08577	32.4
109.02879	21.8
109.06483	11.9
109.10149	25.4
111.04443	15.9
111.08080	12.8
115.05466	4.5
117.07010	24.4
119.04940	2.4
119.07725	2.3
119.08575	42.4
120.08930	2.5
121.06481	12.4
121.10134	23.4
123.04411	3.6
123.08070	10.8
123.11694	5.3
125.09629	17.9
127.03890	10.7
128.06236	5.6
129.05418	2.2
129.06978	16.4
131.04961	3.9
131.08554	23.8
132.09193	1.8
133.06454	8.9
133.10100	22.3
135.04442	3.6
135.08051	9.5
135.11667	11.0
137.06004	4.0
137.09615	3.9
141.06990	3.9
142.07773	4.3
143.08566	10.3
145.06514	4.7
145.10118	24.9
147.08028	12.8
147.11647	19.8
149.09650	9.2
149.13263	5.3
151.07536	2.4
151.11241	1.8
153.09134	3.1
153.12781	5.1
155.08560	4.8
157.06473	2.4
157.10112	15.5
159.08116	4.8
159.11658	13.3
161.09650	5.5
161.13260	4.3
163.07610	2.0
163.11169	13.2
165.09143	3.2
165.12804	4.7
167.07091	2.3
167.08528	2.3
169.10208	5.1
171.08141	2.5
171.11671	4.8
173.04456	8.4
173.09663	6.8
173.11708	4.5
173.13197	3.2
175.11185	11.2
175.14781	2.0
177.12802	3.2
179.14241	2.7
181.10167	2.6
181.12267	6.7
183.11720	5.1
185.09596	2.4
185.13312	4.7
189.11203	7.8
189.12682	2.8
191.10718	5.8
193.10416	2.4
193.12244	24.1
195.13832	2.8
197.13232	4.0
199.11246	3.0
201.12814	3.6
209.09688	2.2
209.11707	4.5
211.11349	2.8
211.13228	28.2
211.15050	2.5
215.14241	2.3
217.15959	2.6
223.11319	2.6
223.13284	10.3
227.12633	16.7
227.18047	2.0
229.12361	3.0
229.14203	9.0
230.14708	3.2
236.43077	1.8
247.20786	2.7
249.14885	3.6
255.17601	4.1
257.19080	4.1
267.15897	9.1
273.15228	3.1
273.18466	21.2
275.20038	19.2
277.14383	1.8
283.15460	5.8
285.16959	3.4
291.19547	59.8
301.14261	2.5
311.19989	3.0
313.21808	4.0
347.22318	7.7
349.23776	7.3
355.17587	6.5
365.23447	7.4
381.20502	2.7
411.20361	3.2
417.22885	3.2
423.27509	3.6
424.27872	5.3
435.24069	3.3
491.26282	2.1
528.37665	18.1
529.35217	2.9
539.33807	7.0
543.36383	2.0
557.34686	23.2
575.35889	8.3
621.32977	3.1
662.93353	3.0
665.37079	3.0
683.37830	5.0
701.38507	11.2
719.39923	76.4
720.40240	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	719.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99037	0.7
69.03423	1.9
69.47586	4.2
71.59430	0.6
80.85118	0.8
81.03418	1.8
82.99867	1.5
85.02887	4.0
89.03899	2.3
89.22792	0.6
95.04955	2.2
96.63666	0.7
97.02886	2.1
98.20863	1.5
98.97598	1.3
101.00874	6.2
107.04954	1.3
109.02843	1.2
111.04395	0.9
116.98593	1.1
117.03358	2.9
119.01929	18.6
127.02423	0.9
127.03907	2.1
131.01904	6.3
133.03461	1.5
135.04393	7.0
137.02937	3.6
139.03897	1.1
143.01886	15.0
145.02695	3.6
145.03474	8.6
147.01425	1.9
149.02954	2.0
153.01805	1.8
155.01874	10.6
157.03470	6.2
161.01576	1.5
161.02950	20.6
163.03889	74.2
164.04291	0.8
167.01888	6.5
169.03467	5.1
171.01326	0.9
171.05051	4.7
173.02975	20.0
175.04474	1.6
179.01866	2.6
181.03503	1.6
184.04491	1.1
185.02956	39.3
186.03183	1.0
187.04530	7.6
191.03923	1.5
193.03415	1.3
195.05060	1.6
197.02953	14.4
199.04623	1.5
203.01959	2.1
203.03983	12.1
207.05000	1.0
208.04514	1.5
209.02956	3.1
211.04617	1.0
215.04013	12.1
220.04712	0.8
221.02962	38.3
221.04906	2.1
222.03203	0.9
226.05598	1.0
227.03949	7.3
233.05066	2.5
237.02686	1.0
239.04004	14.7
244.04472	2.1
245.05072	100.0
246.05290	2.3
247.04759	1.4
257.02640	1.1
257.05099	12.9
259.04483	1.6
261.04492	3.6
263.03873	2.8
263.06229	10.7
271.04465	12.2
272.04620	0.9
273.05954	1.0
275.06158	10.5
277.05643	1.3
279.05579	0.9
281.05032	3.0
283.06427	0.9
286.07617	1.3
287.03940	3.5
287.06921	1.3
289.05542	9.2
290.05560	0.8
293.07138	3.1
295.06546	2.8
297.05917	1.2
299.03622	4.1
305.07419	12.0
307.06503	5.0
309.08258	2.0
313.05496	4.8
315.03531	1.4
315.07050	1.8
317.05124	1.7
323.06528	4.3
323.09518	1.2
331.06583	6.7
333.04510	2.1
333.08218	2.3
335.08740	3.4
336.92789	0.8
341.05099	2.3
349.07629	12.0
351.05499	2.0
359.05963	6.8
365.09637	5.9
367.08749	1.9
369.06772	1.4
377.07068	20.9
395.08160	8.7
410.09027	0.8
413.09473	1.0
419.08282	3.9
437.09299	88.4
438.09543	3.2
449.09308	9.2
455.10449	9.2
461.09259	3.5
467.10239	3.7
479.10446	9.8
481.11938	1.2
491.10202	2.2
497.11331	2.5
509.11447	1.3
521.11420	5.3
539.12512	9.6
557.13062	1.9
581.13715	0.8
695.32745	0.8
701.17560	1.1
719.18359	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	718.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.4
58.06610	0.6
59.07368	0.2
59.49836	0.2
60.08163	5.9
67.05489	0.4
70.43384	0.9
71.07367	3.3
79.05458	0.3
81.07053	0.4
85.12027	0.2
86.09702	28.8
95.08595	0.3
98.98463	3.4
104.10740	1.9
107.98272	0.2
116.76570	0.3
117.12678	0.2
124.99998	20.7
130.14133	0.3
136.80888	0.2
143.01065	0.4
145.10162	0.3
148.66693	0.2
184.07332	100.0
185.07701	0.4
193.11896	0.2
289.64948	0.2
313.27686	0.2
401.76920	0.2
480.45041	0.3
496.33246	0.3
718.46533	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01873	2.4
55.05513	22.5
57.03438	17.1
57.07082	5.1
61.02936	3.6
65.03934	1.1
67.05506	28.3
69.03429	2.8
69.07066	26.8
70.03203	2.5
70.03555	1.4
71.04990	3.0
71.08636	3.3
72.62713	0.7
73.02909	0.9
73.66534	0.8
79.05492	21.2
81.03417	44.4
81.07054	32.8
83.04977	10.1
83.08617	27.8
85.02905	21.3
85.06535	1.5
85.10179	1.2
91.03951	1.9
91.05482	21.1
91.06030	1.4
93.07038	18.7
95.04964	16.1
95.08611	18.9
97.02911	5.0
97.06520	3.8
97.10166	9.5
99.08098	1.6
105.07024	14.6
107.04971	4.6
107.08587	9.3
109.06515	4.3
109.10168	6.1
111.04414	1.0
111.08076	9.3
111.11720	1.7
112.88996	1.0
113.06013	2.2
115.05431	1.3
117.07015	1.2
119.08582	11.6
121.06506	1.4
121.10143	14.7
123.08081	1.4
123.11680	3.9
125.09629	2.6
129.07016	6.9
131.08566	6.7
133.06454	1.7
133.10135	8.1
135.11674	8.6
137.09642	1.3
137.13280	2.1
142.07785	2.3
145.10126	1.4
147.08041	1.4
147.11679	11.2
149.09604	5.0
149.13281	2.5
151.11191	0.8
157.10112	10.0
161.33357	0.8
165.12810	2.4
167.08519	0.8
175.11177	9.6
184.07339	2.2
193.12247	30.9
199.52122	0.8
211.13284	52.4
219.21153	1.1
231.52974	0.8
237.22159	2.3
265.59094	0.8
267.15924	15.3
285.16959	70.3
311.25793	67.2
312.25964	0.8
393.04495	0.8
483.36914	0.8
488.38766	0.9
503.37329	13.1
521.38379	100.0
522.38599	3.0
537.31250	0.9
618.73450	0.8
718.47437	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	717.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.6
52.17137	1.9
53.03941	15.7
54.51243	1.9
55.01873	14.5
55.05508	36.2
57.03441	13.5
57.07070	2.6
65.03926	7.5
67.05501	85.2
68.05831	2.7
69.03419	28.7
69.07072	27.6
70.77988	7.1
71.01373	2.5
71.04984	13.8
73.02898	2.2
77.03925	2.0
78.05385	1.8
79.05487	100.0
81.03413	73.7
81.07051	95.4
81.07534	4.5
83.04982	22.6
83.08611	15.0
85.02894	16.0
85.06530	6.4
87.73705	1.9
91.05476	88.6
93.07038	81.2
93.07645	3.1
95.04962	32.8
95.08598	52.4
97.02886	21.1
97.06515	13.9
97.10160	6.1
99.04453	12.6
99.08114	2.5
103.05454	5.0
105.04505	2.6
105.07024	69.5
107.04942	20.4
107.08583	43.6
109.02859	18.4
109.06504	13.0
109.10129	20.0
111.04430	6.8
111.08086	4.5
114.25877	1.9
115.05473	7.2
117.07018	29.2
119.07721	2.8
119.08576	53.7
121.02772	2.1
121.06497	9.0
121.10133	23.9
123.04434	2.4
123.08075	7.3
123.11688	4.7
125.09608	7.2
127.03919	14.6
128.06213	8.7
129.05490	4.0
129.06996	30.4
131.04900	4.4
131.08546	31.5
133.06482	7.4
133.10110	35.0
135.08052	9.6
135.11703	11.3
137.06050	2.8
137.09615	6.3
141.06973	7.7
142.07736	3.2
143.08543	18.9
145.06483	7.2
145.10118	32.9
147.08026	8.5
147.11665	38.3
149.06017	2.2
149.09668	13.0
149.13245	8.0
151.11186	5.1
153.06908	3.2
155.08575	8.5
156.09378	3.8
157.06488	2.7
157.10086	11.6
159.08052	5.7
159.11684	18.3
161.09656	7.4
161.13237	11.9
163.11211	9.3
165.12695	2.7
167.08571	4.4
169.10092	8.9
171.08098	3.9
171.11671	22.4
173.04449	26.3
173.09637	3.8
173.13243	14.2
175.11134	4.2
177.12810	4.2
179.14343	4.5
181.10085	3.5
183.11644	4.8
185.13216	4.7
187.11200	3.8
189.11212	4.5
189.12756	8.8
191.14320	2.6
193.10219	3.8
193.12219	2.4
195.11740	4.0
197.13242	5.9
199.06084	3.1
207.13766	23.0
211.11186	3.5
225.14711	2.9
227.12712	2.8
229.14441	3.6
229.19495	5.0
239.17975	5.8
241.10446	2.2
247.20625	6.5
253.14204	2.3
257.19031	15.3
273.18338	2.8
275.17020	4.1
275.20056	64.6
279.15985	5.0
281.17444	39.6
287.16373	3.7
288.29327	2.1
293.21152	8.5
299.19937	3.9
331.22583	4.5
341.21072	2.4
349.23691	21.4
372.28763	2.5
383.21933	3.6
389.19156	2.8
419.24313	4.0
425.21899	2.6
445.30832	3.6
475.30487	6.7
493.27750	5.2
527.36774	2.6
537.35583	7.1
553.35822	2.4
555.36816	43.3
571.35327	2.3
573.37946	4.0
597.37622	3.5
619.34265	8.1
681.39966	4.7
699.40533	8.9
717.42181	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	717.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10141	1.3
53.03950	19.0
55.01875	10.3
55.05510	33.8
57.03442	15.5
57.07061	3.9
61.02925	2.1
65.03938	7.4
65.94655	1.7
67.05505	99.4
68.05817	1.8
69.03429	28.2
69.07066	29.4
69.17314	5.7
69.17735	12.7
71.01354	2.0
71.04994	13.7
73.02911	3.9
73.06565	1.8
77.03957	1.6
79.05494	100.0
81.03419	78.1
81.07055	99.0
82.07393	2.5
83.04979	19.2
83.08615	16.2
85.02905	16.1
85.06543	4.3
91.05482	96.4
92.05836	1.8
92.28359	1.7
93.07043	90.9
95.01355	1.5
95.04961	34.2
95.08612	51.0
95.64504	1.6
97.02888	19.1
97.06519	16.0
97.10172	6.7
99.04434	7.9
99.08081	3.1
100.59805	1.9
101.02394	1.6
103.05467	4.3
104.06205	1.5
105.04538	3.1
105.07034	66.7
106.07361	1.8
107.04961	18.3
107.08593	39.9
108.71761	1.7
109.02892	14.9
109.06497	14.6
109.10158	24.1
111.04449	4.2
111.08047	3.9
115.05456	4.3
117.07021	26.6
119.08579	51.6
120.08896	1.9
121.06502	8.8
121.10146	18.3
123.04466	2.4
123.08074	9.1
123.11736	1.7
125.09654	4.7
127.03920	15.2
128.06223	7.2
129.05527	3.3
129.07004	25.4
130.07767	3.5
131.04912	3.3
131.08560	29.2
133.06505	7.0
133.10132	39.7
135.08115	8.8
135.11725	10.7
137.09634	4.5
139.07520	2.0
140.01689	1.4
141.06993	5.8
143.08554	17.5
145.05083	1.7
145.06471	7.8
145.10136	28.5
147.08063	7.5
147.11685	42.1
147.12807	3.2
148.12154	1.8
149.09641	10.4
149.13197	7.6
151.11157	4.7
155.08585	6.8
156.09360	3.7
157.06514	2.6
157.10139	11.0
159.08067	4.2
159.11700	18.7
161.09657	7.7
161.13258	14.0
163.11174	8.6
165.06952	1.5
167.08548	2.9
169.10155	7.1
171.08031	3.4
171.11702	29.4
173.04462	30.6
173.05870	3.0
173.09605	2.2
173.11780	4.7
173.13295	8.4
174.02838	1.5
175.11128	2.6
175.14850	2.0
177.12700	4.8
179.08568	2.9
179.14388	4.7
181.10081	3.8
183.08157	1.5
183.10269	1.7
183.11732	6.6
185.09607	2.8
185.13322	4.2
187.11237	4.3
187.14807	2.8
189.11252	2.2
189.12749	11.1
191.18184	1.5
195.11717	3.9
195.13716	2.3
197.13318	5.9
199.06018	4.5
199.11082	1.9
199.14769	2.4
201.12769	3.0
207.11830	2.3
207.13765	25.7
209.13269	2.8
211.11147	2.6
211.14853	3.0
215.10336	2.1
217.16069	1.9
223.14882	1.9
225.14738	2.9
227.12782	3.6
229.14299	9.6
229.19548	3.0
239.18054	4.6
241.19571	2.3
247.20580	6.3
249.14803	2.0
253.14288	3.7
257.19080	13.7
259.20609	6.4
267.16064	2.3
273.18472	4.9
275.20056	55.6
277.89447	1.8
279.15768	2.5
281.17456	37.5
287.16357	2.4
293.21057	3.1
329.21005	2.3
331.22562	3.3
333.24268	2.8
349.23697	20.6
350.24045	2.7
365.21011	2.5
383.21863	2.6
407.20279	2.0
419.24399	3.1
425.21497	2.7
463.32471	1.7
466.99982	1.7
475.31088	9.4
475.65005	1.7
493.28235	4.4
527.36731	3.1
537.35559	5.4
555.36920	32.8
556.37036	4.5
573.38269	2.7
597.38110	2.5
610.74121	1.8
619.34521	12.1
657.07977	1.9
669.39783	2.1
681.39221	2.6
699.40619	9.2
717.43414	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.2
53.03940	12.2
55.01867	12.0
55.05507	37.8
57.03432	15.7
57.07066	2.8
58.10343	1.8
61.02916	4.3
65.03922	6.7
67.05502	87.7
69.03088	2.5
69.03423	28.4
69.07062	33.9
69.50268	9.1
71.01337	1.7
71.04995	10.8
73.02901	2.4
73.06541	2.1
79.05489	100.0
81.03415	63.6
81.07051	90.7
83.04974	22.2
83.08620	14.5
83.25181	1.4
85.02904	17.8
85.06547	3.7
85.45211	1.6
87.04465	1.8
91.05474	92.2
93.07038	92.9
95.01322	1.8
95.04960	30.3
95.08600	48.4
97.02892	19.4
97.06516	16.2
97.10153	8.6
98.20857	3.2
99.04467	7.3
99.08073	3.0
103.05482	3.4
105.03445	1.7
105.04535	2.4
105.07024	81.2
107.04948	19.7
107.08587	41.2
109.02876	14.0
109.06514	13.3
109.10153	18.0
111.04428	6.8
111.08070	5.8
113.13490	1.8
115.05459	5.3
117.07015	26.1
119.04946	2.5
119.08571	46.9
121.06488	8.9
121.10137	22.8
123.04413	2.9
123.08048	11.0
123.11676	4.4
125.09644	4.2
127.03919	15.1
127.07556	1.5
128.06190	6.1
129.05443	4.5
129.06992	22.5
130.07823	2.3
131.04953	2.4
131.08554	32.3
133.06459	6.0
133.10129	31.0
135.04356	2.4
135.08032	6.1
135.11690	11.1
137.09612	6.3
141.06981	5.4
142.07802	3.3
143.08549	22.3
145.04939	2.2
145.06450	6.4
145.10120	29.7
147.08087	7.5
147.11682	35.5
149.09615	11.5
149.13199	7.5
151.11157	4.2
155.08554	9.7
156.09274	1.8
157.06447	2.8
157.10095	8.4
159.08060	5.4
159.10440	2.3
159.11655	16.6
161.09598	8.5
161.13234	13.7
163.11168	6.7
165.09137	2.1
165.12740	2.3
167.08597	2.9
167.10701	1.6
169.10175	9.5
171.07994	3.2
171.11667	29.2
172.54240	1.7
173.04469	16.7
173.05850	3.7
173.09642	3.7
173.13202	7.3
175.11157	1.7
177.09212	2.1
177.12772	5.1
179.14301	2.6
181.10115	4.0
183.06462	2.0
183.11658	5.3
185.13263	4.3
187.07574	2.5
187.11150	4.7
187.14781	3.2
189.11238	3.0
189.12749	11.4
191.14319	2.9
193.10245	1.8
195.11623	3.1
197.13258	3.4
199.05949	3.8
199.14835	2.3
207.10132	1.7
207.11894	3.3
207.13766	24.7
209.13251	2.4
221.15332	2.2
225.11110	3.0
225.14728	2.6
227.12677	4.4
229.19489	3.9
231.17606	1.7
239.14323	1.9
239.17976	3.1
247.20650	5.6
257.18976	14.9
259.20444	1.9
269.17487	6.2
271.20474	1.8
273.18564	2.0
275.20047	53.7
279.15945	3.1
281.17435	42.0
287.16495	1.9
287.20081	1.8
293.21167	3.1
317.21103	1.9
331.22546	2.2
340.55408	1.7
349.23776	15.7
355.22726	2.2
365.20932	2.3
373.23560	1.8
383.22073	3.8
395.20950	2.5
401.23114	2.0
419.24261	4.2
421.27365	1.5
425.21442	2.1
435.27216	2.1
451.27316	1.7
457.29617	4.8
459.30872	2.9
475.30646	24.2
481.32813	2.1
491.29810	1.9
493.27832	4.5
527.37238	3.1
537.35571	4.6
555.36853	39.0
573.37122	1.9
597.38153	1.9
601.33344	1.9
619.34595	6.9
699.40479	7.9
717.42053	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	717.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.4
53.03949	11.2
53.67838	1.3
55.01873	27.0
55.05509	22.6
57.03429	9.0
57.07069	2.7
58.55870	1.4
62.08500	1.7
65.03920	3.2
67.05502	55.9
69.03428	12.8
69.07065	34.7
69.22512	12.7
69.22919	3.6
71.04984	6.7
73.06537	1.7
79.05490	61.1
81.03416	33.2
81.07053	67.9
83.04977	16.6
83.08611	11.0
85.02898	8.6
85.06535	2.6
91.05476	83.0
93.07038	57.6
93.07639	2.5
95.01338	8.4
95.04961	26.7
95.08599	45.8
97.02879	7.0
97.06525	43.9
97.10159	4.6
99.04430	4.9
99.08034	1.5
102.65217	1.4
103.03938	2.4
103.05441	3.4
105.04530	1.8
105.07024	100.0
106.76504	1.5
107.04952	24.0
107.08590	22.9
109.02884	6.1
109.06497	8.8
109.10152	9.9
111.04428	3.1
111.08089	5.4
113.09560	2.1
115.05433	4.2
117.07010	28.9
119.04926	3.8
119.08577	52.6
121.02840	1.6
121.06480	8.3
121.10127	14.6
123.04426	3.7
123.08070	7.0
125.05997	1.7
125.09635	2.6
126.68782	1.5
127.03900	5.3
128.06184	7.4
129.05452	2.9
129.07007	16.6
130.07799	2.4
131.08568	35.1
133.06467	7.2
133.10126	43.4
135.04410	1.5
135.08054	7.3
135.11691	9.3
137.09630	2.5
139.07440	1.6
141.06973	8.1
142.07767	2.8
143.08577	13.1
145.06514	8.9
145.09038	2.8
145.10112	25.0
147.08017	5.3
147.11691	23.3
149.09608	9.3
149.13243	6.1
151.11154	2.9
152.97713	1.6
155.08536	6.7
157.06439	3.1
157.10101	6.8
159.08018	5.0
159.11662	17.5
161.09589	3.6
161.13264	8.6
163.11179	5.7
167.08563	4.8
169.10101	4.8
171.08093	3.0
171.11670	11.4
173.04405	6.5
173.09521	2.4
173.13216	6.7
175.11127	2.1
177.12735	5.0
179.14333	13.6
181.10129	2.5
183.11678	5.5
184.07449	1.8
185.09662	3.8
185.13205	3.9
187.11168	8.7
189.12773	4.8
197.09816	1.7
197.13242	3.5
201.12608	1.9
205.12190	2.6
207.13792	5.7
209.15402	1.6
213.12776	3.1
213.16347	2.5
225.14989	2.6
229.19502	2.9
232.58266	1.6
239.18022	2.9
241.16003	2.1
251.14275	3.6
257.18842	7.2
259.17029	2.5
259.20551	2.8
269.15308	6.3
275.20053	93.6
279.15970	12.4
281.17426	8.7
287.16422	10.7
293.21060	5.8
295.19260	1.6
315.15973	2.6
343.19168	2.2
349.23743	28.1
361.19925	5.4
407.20862	4.2
418.18436	1.5
425.21606	12.1
467.03522	1.6
537.35687	7.7
555.36713	41.1
556.37561	2.1
569.38251	2.7
635.39032	6.7
681.39581	2.8
699.41052	12.7
717.43109	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.0
56.05023	3.5
57.07073	2.5
60.04533	1.7
62.05889	1.0
67.05497	7.2
69.03427	1.6
69.07059	7.1
70.06590	1.8
70.10052	4.1
76.79421	1.0
79.05490	4.7
80.05022	2.4
81.05799	1.4
81.07052	9.6
81.95634	1.0
82.06563	5.3
83.08614	4.3
85.02943	1.2
91.05473	6.5
93.07039	6.3
94.06569	14.2
95.07351	4.8
95.08606	7.3
95.09154	1.2
96.08140	4.7
97.10166	3.3
98.21395	1.3
105.07019	6.1
107.08594	3.4
108.08100	3.0
109.10153	1.7
112.88401	1.1
119.08575	5.7
121.10123	5.3
122.09651	1.5
123.11710	1.9
133.10121	3.9
135.11700	3.7
145.67041	1.0
147.11758	1.8
149.13295	1.3
157.44899	1.0
174.09576	1.2
195.27708	0.9
199.01424	1.1
233.22620	3.0
234.22165	1.1
245.22649	4.4
245.49005	1.2
250.25209	6.4
254.24803	1.5
262.25284	100.0
263.25858	2.1
272.25812	5.5
280.26361	7.5
311.20538	1.0
383.06384	1.5
504.47394	5.2
516.47760	25.7
518.49127	4.5
523.75854	1.1
534.48846	15.5
696.54578	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05511	7.1
56.05044	4.0
57.07070	4.0
60.04531	2.9
65.03922	0.8
66.92025	0.6
67.05502	14.4
68.05022	1.0
69.03416	1.9
69.07067	8.1
70.06572	1.7
71.08614	2.2
79.05070	1.1
79.05490	12.3
80.05022	3.1
81.03383	0.9
81.05783	2.0
81.07054	12.9
82.06570	9.4
83.08611	4.6
85.02888	2.3
85.10210	1.1
87.04440	0.7
91.05486	10.4
93.07044	10.2
94.06568	20.7
95.04958	2.2
95.07351	9.0
95.08605	7.8
96.08138	7.5
97.02886	1.2
97.10151	2.7
98.21630	1.3
100.51650	0.5
105.07030	6.1
105.93549	0.6
107.08583	4.7
108.08101	4.0
109.10152	3.0
119.08575	5.9
120.08099	0.8
121.10139	5.2
122.09670	2.9
123.11710	1.2
133.10129	4.2
135.10545	0.9
135.11678	3.7
136.11154	1.1
147.11653	1.0
149.13278	0.7
151.14828	0.9
161.13312	1.0
187.93681	0.6
198.38570	0.6
233.22649	3.8
245.22598	4.5
247.89067	0.6
250.25267	7.0
254.24617	1.0
262.25293	100.0
263.25696	2.7
265.52826	0.7
272.25919	4.8
280.26328	7.7
284.09845	0.7
504.47696	5.0
516.47736	28.0
517.47906	2.0
518.49207	4.9
534.41071	1.1
534.48798	17.5
535.49066	1.2
590.89514	0.8
696.53918	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	714.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80950	0.6
53.03941	0.8
54.81827	0.7
55.01875	1.1
57.03431	1.5
61.02917	1.1
69.03429	5.5
70.97377	1.5
71.04978	0.9
73.02899	1.0
79.05475	1.0
81.03416	1.5
85.02900	5.7
87.04464	0.7
91.05444	0.8
93.07020	1.5
94.06564	3.6
95.07320	1.4
96.08118	2.9
97.02858	3.0
106.01886	0.7
107.07314	1.9
108.08118	7.8
109.02880	1.5
110.09665	5.5
120.04453	2.1
120.08094	8.4
122.06020	7.5
122.09656	5.1
124.07574	1.1
127.03927	1.5
132.08043	0.7
136.07565	10.1
137.08337	1.1
138.05415	0.6
138.09129	9.8
146.06012	1.8
148.07564	6.7
150.05440	0.8
150.09137	8.9
152.07068	2.0
160.07574	0.7
164.07104	2.6
166.08633	25.1
172.03940	1.1
173.04599	0.7
180.10266	1.0
190.05003	1.0
194.08156	2.5
196.09860	1.1
197.10765	1.2
208.09862	0.9
209.10861	1.1
211.08705	0.8
211.12335	1.1
212.09473	1.5
213.10271	0.7
221.10890	1.0
221.19467	0.7
222.11519	0.7
223.08626	1.5
223.12363	1.4
224.09561	1.4
225.10219	5.1
226.11014	1.3
227.11833	2.9
233.10774	2.1
235.08710	2.4
236.09544	1.2
237.10208	12.8
238.11041	2.3
239.08257	1.2
239.11716	5.4
241.09671	0.9
248.09389	3.8
249.10175	9.1
249.12227	0.7
250.10950	3.7
251.08156	4.2
251.11784	11.2
252.08987	1.7
252.12556	1.9
253.09708	6.9
253.13455	0.8
254.10454	1.1
255.11258	4.9
261.10309	6.6
262.10925	1.9
263.08270	1.4
263.11829	8.8
264.09402	0.7
264.12390	1.2
265.09695	16.1
265.12955	0.9
266.10455	1.8
267.11292	9.6
268.12082	1.4
269.09198	1.6
269.12802	1.0
271.10791	2.2
273.12521	1.0
275.08243	1.2
277.09744	5.6
278.06619	1.0
278.10565	6.6
279.07840	3.4
279.11230	21.4
280.12106	2.8
281.09351	4.2
281.12897	3.1
282.09988	1.5
283.10782	8.5
284.11560	0.8
285.12256	1.8
287.14032	1.1
289.09680	14.7
290.10397	1.6
291.11276	6.8
292.11810	1.0
293.09247	7.3
293.12891	5.1
294.10022	4.2
294.13205	0.7
295.10873	5.7
295.14047	1.1
296.11554	4.0
297.08951	1.5
297.12399	4.4
297.15390	0.6
299.10300	2.7
303.05243	1.3
305.09274	1.5
306.10046	1.4
307.10818	5.4
308.11554	1.9
309.08749	0.9
309.12213	5.9
310.13110	1.0
311.10284	7.4
311.13953	5.3
312.10971	4.3
313.11792	4.3
314.12674	0.9
316.14258	1.0
317.09073	3.2
319.10614	0.9
321.08829	1.4
321.12466	1.8
323.10254	2.3
323.14041	4.2
324.10947	3.4
325.11707	5.1
326.12610	4.9
327.13354	6.8
328.14230	1.1
335.10220	24.2
336.10587	0.7
337.11545	3.4
339.09741	2.5
339.13364	57.3
340.10507	4.2
340.14008	1.9
341.11362	5.7
341.15091	2.2
342.16025	1.3
349.11890	0.9
351.51776	0.7
352.10617	2.6
353.11328	10.8
353.15302	1.1
354.12094	6.9
355.12860	21.8
356.13556	1.1
358.15628	0.8
367.12854	50.4
368.13412	2.0
370.15448	0.9
372.17371	1.2
386.18979	0.8
400.16574	1.5
418.17581	0.8
432.19235	1.7
442.17661	1.9
444.19614	1.1
451.21338	0.7
460.18576	6.3
470.17133	0.8
474.20599	1.5
478.19897	2.5
479.20145	1.7
488.18134	34.0
489.18454	2.0
490.19550	1.3
492.21381	3.0
502.19684	2.0
506.19208	21.2
507.19534	1.2
520.20758	34.5
521.21344	2.4
534.18396	3.3
622.23962	3.0
632.22675	2.1
650.23413	14.9
654.26404	1.2
664.25024	2.3
682.26013	100.0
683.26196	6.6
714.29053	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	713.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43033	0.6
54.79520	0.8
55.01865	1.5
55.05502	2.5
57.03432	2.5
61.02921	4.6
67.05500	3.9
69.03424	3.4
69.07069	3.7
71.04997	1.3
71.52756	1.1
71.53155	1.0
73.02921	2.8
73.19234	0.7
79.05508	3.5
79.82343	0.6
80.77238	0.6
81.03414	5.0
81.07043	4.2
83.01073	1.4
83.04981	2.7
83.08614	1.6
85.02901	7.2
91.03981	3.4
91.05471	4.3
93.07048	2.8
95.04981	2.3
95.08588	3.7
95.61818	0.6
97.02879	5.1
97.10141	0.9
99.04476	1.6
101.02396	0.9
103.03966	0.8
105.07036	2.6
107.04980	1.3
107.08602	3.3
109.02859	1.7
109.06510	0.9
109.10136	2.9
111.04494	0.9
111.08118	0.9
113.68065	0.6
117.05541	1.0
117.07056	1.2
119.04961	1.1
119.08602	3.2
121.10155	3.0
122.03643	0.9
123.04361	2.3
123.08140	0.9
127.03937	2.2
129.05501	2.2
129.07004	0.9
131.08507	1.4
133.06450	0.9
133.10127	2.6
135.11732	2.0
137.05995	2.5
137.09604	0.8
139.03835	2.0
143.07095	0.8
143.08502	0.7
145.04898	0.8
145.10120	1.4
147.04419	1.3
147.08060	0.9
147.11720	1.9
151.03993	1.0
153.01857	0.8
157.10103	0.9
163.03989	1.4
175.11232	1.1
181.04831	1.3
184.07446	1.5
185.04239	6.1
193.12225	1.7
193.85881	0.8
195.06387	0.9
199.06036	1.1
201.03795	3.1
203.05275	0.9
205.08658	0.8
207.06541	1.1
214.18123	1.3
220.92189	0.7
227.05339	1.2
243.08333	4.3
245.15561	0.7
250.32066	0.7
251.12628	2.7
261.14917	1.0
277.14191	2.9
291.15738	1.3
301.08942	15.7
307.15088	1.2
313.08990	1.2
315.10547	3.9
317.08331	0.8
327.10522	1.7
329.12088	1.2
341.12170	1.3
343.13727	1.2
349.16229	2.9
357.15317	1.1
367.17435	2.2
369.15591	1.1
371.16922	1.0
373.11026	6.1
383.16858	4.3
385.18298	10.2
387.12741	1.7
388.29474	0.7
395.16846	2.3
401.14133	0.9
423.18698	0.9
429.17511	2.3
433.25699	2.3
439.19446	2.3
443.18799	7.3
457.20358	2.6
469.20441	18.7
470.21237	0.7
479.26846	1.1
483.21600	1.3
484.18735	0.9
485.19644	4.4
499.21426	4.7
511.21741	2.3
527.28571	1.9
528.21643	6.4
541.22565	9.1
541.30151	0.9
555.24384	2.1
569.24951	3.7
583.30353	1.7
595.30988	0.9
597.27332	1.1
611.30432	6.6
612.31055	6.1
613.32489	0.8
641.31628	1.0
651.33521	1.5
653.31866	1.4
667.33374	1.5
695.32666	3.4
696.33191	1.0
713.33472	100.0
714.33722	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	713.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
61.02919	0.8
67.05496	1.9
67.26692	0.5
67.36751	0.5
69.03444	0.6
69.07063	1.5
69.52776	3.3
71.04971	0.9
79.05496	1.7
81.03410	2.3
81.07050	2.8
83.04987	1.0
83.08616	0.6
85.02917	1.2
91.05488	2.4
93.07049	1.9
95.04957	1.2
95.08601	2.0
97.02898	1.3
105.07057	1.8
107.04955	0.7
107.08620	1.9
109.02911	0.6
109.06525	0.6
109.10158	2.6
119.08595	1.5
121.10128	1.5
122.22936	0.5
123.08060	0.6
127.03927	0.7
131.04933	0.7
131.08591	0.9
133.06546	0.7
133.10143	1.3
135.08055	0.6
135.11697	0.8
137.05942	1.3
145.02859	0.8
145.10136	1.0
147.04379	0.8
147.11707	0.8
149.78214	0.5
151.07623	0.6
157.10132	1.0
159.08011	0.5
159.11801	0.9
161.52017	0.6
175.03853	0.7
177.05530	1.1
184.07346	1.1
187.09528	0.7
193.12254	0.8
197.11789	0.7
207.06473	0.7
211.06319	0.6
238.20982	0.5
267.09167	0.8
285.09998	1.1
303.05045	1.4
448.28159	0.8
450.49115	0.7
485.17932	1.1
654.24420	0.6
695.32581	0.7
713.31470	100.0
714.31793	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	712.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04725	1.8
55.01868	3.5
55.05511	16.3
57.03440	18.6
57.07057	3.5
57.74338	2.5
60.27365	2.0
61.02929	3.7
67.05501	55.7
69.07062	17.0
70.56425	7.2
71.01336	2.5
71.04970	5.9
71.08620	2.1
79.05487	50.0
81.03390	5.8
81.06588	4.0
81.07047	46.7
83.04958	9.9
83.08621	5.0
85.02910	3.2
85.06532	3.7
85.10141	2.9
91.05473	21.9
91.71120	2.1
93.06495	3.5
93.07040	57.7
95.04960	9.2
95.08603	27.3
97.06512	8.8
97.10155	9.9
105.07011	12.9
107.08595	35.3
109.10149	20.0
111.08076	2.6
111.27341	2.2
117.07005	8.7
119.08562	9.7
121.10155	20.3
123.11715	2.4
131.08562	9.2
133.10098	9.7
135.11681	40.6
145.10072	11.0
146.84142	2.4
147.11615	3.4
149.13248	3.0
159.11720	5.0
161.13217	3.1
163.11125	3.6
173.13226	3.5
181.12225	6.7
196.54047	2.1
199.13199	2.9
243.21117	3.8
253.14366	3.1
255.15904	53.3
261.22278	12.8
261.24655	2.4
314.35944	2.3
317.24615	3.2
335.25797	42.3
467.36908	4.0
469.39163	2.8
515.37292	100.0
516.37280	5.3
533.37921	3.0
571.41357	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	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
54.48962	0.8
55.01636	1.0
55.01866	5.5
55.05503	7.4
57.03434	8.0
59.04995	1.0
61.02937	1.6
63.30048	0.8
65.03943	1.8
67.05502	28.4
68.05819	1.2
69.03417	3.5
69.07076	7.8
71.04986	5.0
71.51096	1.5
73.02896	0.9
79.05492	13.2
81.03416	35.5
81.07055	24.8
82.07448	0.8
83.04983	8.2
83.08624	8.8
85.02901	4.1
85.06536	3.5
86.09732	1.0
91.05478	27.3
93.07043	16.6
95.04957	11.6
95.08613	8.2
97.02856	2.6
97.06529	3.9
97.10165	2.9
99.04465	2.6
99.08083	1.2
105.07029	23.3
106.07394	1.1
107.04956	3.7
107.08591	20.6
109.02893	0.9
109.06505	5.0
109.10153	34.3
111.04452	1.2
111.08091	3.1
113.06017	2.5
115.05465	1.1
116.33569	1.0
117.07019	2.1
119.04942	1.0
119.08578	9.3
121.06477	2.3
121.10143	5.2
123.04420	1.7
123.08084	2.5
123.11735	6.9
125.09667	2.1
127.03918	1.2
127.07546	2.3
129.05476	1.8
129.07013	3.8
131.08548	4.6
133.06491	2.6
133.10126	43.0
135.04454	0.9
135.08044	1.9
135.11703	2.5
137.06047	1.3
137.09624	2.0
139.03900	1.0
139.10994	0.9
145.06447	1.1
145.10141	3.0
147.04416	1.6
147.08067	1.8
147.11687	4.8
149.09636	2.1
149.13240	1.0
151.11163	20.3
157.10123	4.1
159.11694	1.5
161.09648	2.2
163.11240	1.3
165.12807	1.0
169.12283	3.6
172.30775	0.9
173.09798	1.0
173.11798	1.2
175.11203	4.1
177.05466	1.1
179.10692	1.5
184.07367	3.0
191.14307	1.1
193.12245	14.8
194.12639	1.0
202.29134	1.0
203.14302	0.9
211.13309	5.1
212.13409	1.2
215.12695	1.3
227.12750	1.2
253.14340	100.0
254.14690	1.4
263.16171	1.0
267.15897	42.1
269.17520	2.6
271.15436	25.2
283.15619	1.3
285.16873	3.6
301.16534	2.4
303.05045	1.2
371.22409	1.0
389.23111	1.1
423.27328	1.1
445.25861	19.0
463.26883	56.1
464.27228	1.2
477.28424	2.4
481.27710	1.5
495.29401	7.2
513.29602	2.2
710.32056	2.0
711.34357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01864	4.3
55.05514	16.8
55.88381	1.0
57.03194	1.4
57.03438	16.0
59.29910	1.0
67.05187	1.6
67.05508	22.5
69.03415	4.6
69.07067	6.9
71.04967	5.1
71.12825	1.0
79.05497	21.2
79.55217	0.9
79.65950	1.1
81.03418	100.0
81.07058	28.7
82.03753	1.3
83.04977	13.0
83.08620	20.1
83.09073	0.8
85.02905	16.0
85.06546	1.2
86.09705	1.3
91.03925	1.2
91.05478	32.0
93.07044	18.4
95.04382	1.9
95.04967	35.3
95.08603	10.5
97.02902	4.7
97.06520	4.3
97.10171	6.7
98.09698	1.2
103.05498	1.2
105.07030	21.8
107.04945	11.1
107.08599	9.6
109.06485	5.2
109.10159	5.2
111.04443	2.2
111.08080	9.1
115.05482	1.8
116.10712	1.9
117.07019	2.7
119.04923	1.9
119.08580	19.4
121.06507	6.6
121.10126	11.4
123.08065	4.0
123.11712	2.8
125.05946	1.8
125.09618	2.9
127.03867	1.2
127.07585	1.0
128.06247	1.3
129.06998	14.0
131.04912	1.5
131.08556	14.2
133.06458	3.4
133.10143	9.9
135.08008	2.7
137.05983	2.1
137.09581	2.8
139.11171	1.1
142.07748	3.1
143.08514	2.2
145.06485	6.5
145.10130	3.6
147.04337	1.4
147.08040	6.9
147.11662	12.8
149.09605	7.5
151.67899	1.0
155.08563	1.7
157.06500	1.3
157.10124	15.0
158.44574	1.3
159.08028	2.2
159.11687	1.8
161.05930	1.4
163.07515	1.1
163.11200	3.3
165.12782	3.1
167.10696	2.3
171.08025	1.6
171.11794	1.5
175.11194	13.1
183.70616	1.1
184.07336	2.4
185.09691	1.4
185.11693	1.5
188.57678	1.3
189.11220	1.3
193.12245	39.8
195.11646	1.1
199.14862	1.1
207.06572	1.2
211.11377	1.9
211.13301	18.3
219.13837	1.5
223.01318	1.1
229.14331	1.2
249.14832	3.2
255.13814	2.8
267.15915	97.5
268.16229	2.0
273.14917	4.8
285.16995	17.8
303.04938	3.9
341.21106	1.6
349.21539	3.8
367.22665	9.1
385.23782	12.2
403.24786	2.4
415.24677	1.2
433.25934	13.2
441.26401	5.8
459.27417	74.3
460.27121	3.3
469.29028	1.2
477.28464	44.3
478.28705	2.5
495.29056	2.1
585.30670	1.6
612.32629	1.2
710.37585	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	710.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.05037	0.6
57.03428	0.4
58.06627	0.5
60.08160	6.6
67.05501	1.3
69.03456	0.3
69.07052	0.5
69.66605	0.4
69.67012	0.7
71.05002	0.2
71.07368	3.8
71.08618	0.3
72.08138	0.2
79.05473	1.3
81.03413	2.6
81.07053	1.5
82.07394	0.1
83.04974	0.6
83.08620	0.7
84.08131	0.2
85.02901	0.7
85.31892	0.1
86.06062	0.7
86.09700	31.3
91.05479	1.4
93.07041	1.0
95.04954	1.2
95.08621	0.8
97.02885	0.3
97.06537	0.2
98.06013	0.2
98.09669	0.2
98.21420	0.2
98.98457	2.5
104.10740	2.3
105.07024	1.2
107.04942	0.4
107.08588	0.6
107.78458	0.1
109.06509	0.3
109.10147	0.4
111.04440	0.2
111.08073	0.4
116.10719	1.5
116.99503	0.2
117.07030	0.2
119.04965	0.2
119.08586	1.1
121.06499	0.2
121.10119	0.8
123.04418	0.2
123.08047	0.3
123.11734	0.2
124.99992	20.9
125.09598	0.2
127.03881	0.3
129.06982	0.4
131.08578	0.5
133.06519	0.2
133.10101	0.5
135.08002	0.3
135.11699	0.2
137.05939	0.3
137.09601	0.4
137.73015	0.2
143.01064	0.2
143.10616	0.2
145.10138	0.2
147.04434	0.2
147.08018	0.4
147.11687	0.7
149.09637	0.4
154.15839	0.3
157.10155	0.5
163.11194	0.1
166.15961	0.2
167.16534	0.2
175.11189	0.5
184.07329	100.0
185.07706	0.8
193.12216	0.8
194.12541	0.2
196.16898	0.5
207.06517	0.2
211.13264	0.7
214.18002	7.1
267.15906	1.8
280.18732	0.1
285.16998	1.2
303.04941	0.2
385.23813	0.3
459.27417	1.3
460.25211	0.4
477.28372	2.1
495.28931	0.7
510.49884	0.2
558.32678	0.9
605.35663	0.2
612.32086	0.4
660.35065	10.3
661.34723	0.6
710.38019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30222	0.3
53.03929	0.4
55.05505	0.4
56.03134	0.4
65.03954	0.4
67.05505	0.4
68.11031	0.4
69.85947	0.9
69.86363	1.7
70.06598	0.4
79.05474	0.6
91.05463	0.4
93.07028	1.3
94.06551	1.3
95.07339	0.6
96.08128	1.7
97.06490	0.6
100.65351	0.4
105.07018	0.5
107.03629	0.4
108.08125	2.1
110.09676	3.5
111.04460	0.4
115.79599	0.3
115.88609	0.3
119.04958	0.6
120.04454	1.2
120.08147	1.9
120.08918	0.4
121.10131	0.5
122.05967	0.6
122.09688	0.5
124.07604	1.0
134.06039	0.5
136.07565	2.9
138.09142	5.2
145.02849	0.6
146.05988	0.5
147.04453	0.6
148.07588	1.0
149.09589	0.4
150.09193	0.6
152.07091	1.0
152.10632	0.5
153.01849	0.6
160.07703	0.5
162.05560	0.5
164.06995	0.5
166.08623	6.6
172.03958	1.1
175.03920	0.7
176.10654	0.5
177.05487	1.6
180.10149	0.6
190.04979	0.5
194.08176	0.8
197.10928	0.3
197.71091	0.4
202.08752	0.4
204.06581	1.9
207.06506	1.2
212.09413	0.4
213.10315	0.5
223.08670	0.4
223.12401	0.5
224.13229	0.3
224.82198	0.4
225.10246	1.4
226.11147	0.5
227.11871	0.6
236.09364	1.2
237.10194	3.2
238.10947	0.8
239.08208	0.9
239.11867	1.3
241.09789	0.8
248.09386	0.9
249.10165	2.2
250.11000	1.0
251.08115	1.2
251.11728	2.7
252.09135	0.4
252.12410	0.6
253.09698	2.3
255.11345	0.6
258.14005	0.4
261.10236	1.0
262.10742	0.7
263.11813	1.7
265.09708	4.3
265.12671	0.6
266.10364	0.6
267.11362	2.2
271.10730	1.0
277.09729	1.3
278.10501	1.9
279.07727	2.4
279.11340	4.5
280.12000	1.6
281.09219	1.8
281.12778	0.9
283.10806	2.8
283.13635	0.4
285.12241	0.9
287.13879	1.8
289.09662	2.0
291.11298	0.8
293.09280	1.2
293.12863	2.2
294.10001	2.5
295.10944	1.7
295.14059	0.4
296.11630	1.1
297.12247	0.8
299.10284	1.1
303.04984	0.9
307.10733	1.2
308.11697	0.7
309.09100	0.6
309.12433	1.5
311.10336	3.9
311.13715	0.8
312.11115	1.3
313.11755	1.8
314.12610	1.1
321.12625	0.4
323.10312	0.7
323.13821	0.5
324.10989	1.0
325.11752	1.7
326.12579	2.9
327.13309	5.1
335.10196	3.2
339.09885	0.8
339.13376	24.9
340.10248	0.8
340.14001	0.8
352.10516	0.4
353.11356	0.7
354.12042	2.1
355.12863	6.8
357.14304	0.5
367.12872	14.1
368.13654	0.7
371.12140	0.8
371.16125	1.0
385.14444	0.5
386.14716	1.4
387.15579	1.4
399.15573	3.9
415.15027	0.5
424.22491	0.4
432.19714	0.4
436.18665	0.4
444.19138	0.5
447.18121	0.5
451.21048	0.8
460.18649	1.0
461.19107	0.5
464.22684	0.4
479.20578	1.6
488.17966	1.0
492.21130	2.4
501.32080	0.4
502.20325	0.5
520.20825	7.2
552.23389	100.0
553.23895	4.5
627.24109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57649	1.9
51.20037	1.9
53.03928	3.1
55.01859	9.9
55.05509	20.5
57.03436	13.4
57.07048	5.5
60.08158	2.1
61.02908	7.9
64.83208	1.9
65.03927	3.6
67.05505	72.4
68.05823	3.1
69.03416	8.8
69.07070	21.4
71.04983	8.5
71.51499	4.2
73.02906	4.0
77.20873	1.9
79.05491	44.4
80.05824	2.9
81.03419	14.0
81.07053	74.2
83.04982	12.8
83.08617	11.1
85.02890	8.8
85.06548	11.2
86.09678	4.8
91.03947	2.5
91.05482	79.2
92.05833	3.3
93.07038	56.7
95.04977	12.6
95.08607	29.7
96.08905	1.9
97.02899	6.7
97.06502	7.9
97.10148	5.6
99.04471	4.1
99.08067	2.7
105.07028	80.6
106.07368	2.8
107.04945	4.9
107.07890	4.6
107.08587	59.9
109.02857	3.0
109.06506	9.5
109.10154	79.1
110.10442	2.7
111.08069	4.5
113.05998	3.7
115.05483	2.3
117.07015	14.4
119.08588	38.5
121.06505	3.5
121.10141	17.8
123.08077	5.4
123.11697	14.4
125.09595	4.8
127.03885	3.0
127.07529	4.3
129.05484	3.0
129.06993	7.9
131.08562	18.4
133.10123	100.0
134.10461	3.7
135.08031	2.1
135.11678	13.9
137.05962	3.1
137.09583	3.6
141.06961	2.0
143.08543	12.3
145.10133	22.1
147.11691	29.6
149.09613	3.7
149.13263	8.6
151.11195	41.1
155.08556	2.4
157.10104	8.2
159.11671	15.4
161.09619	6.7
161.13266	20.6
163.11133	4.9
163.14816	3.5
169.10158	3.8
169.12236	9.3
171.11699	13.3
173.11938	1.9
173.13257	9.4
175.11079	1.9
175.14822	9.6
177.12675	2.7
183.11722	2.8
184.07358	9.1
185.13208	7.8
187.14862	4.1
195.11751	2.7
197.13219	3.2
199.14810	3.2
201.16451	2.6
215.12863	5.3
227.12669	2.9
231.21060	4.6
241.19499	21.0
253.14333	77.7
254.14828	4.3
257.19031	3.0
259.17773	2.4
259.20557	47.2
260.20752	3.7
271.15396	67.6
272.15799	4.3
275.20178	4.2
277.21619	8.1
301.21558	3.7
315.23065	3.8
333.24194	24.5
351.25241	3.0
455.31229	4.0
511.34094	10.1
529.35181	29.6
547.36914	14.4
548.36499	3.6
559.36359	2.9
613.36975	2.5
614.57990	2.4
637.36945	6.0
655.38348	5.8
691.40161	7.3
709.40820	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	709.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50243	0.9
54.20801	0.7
68.95684	0.8
69.30964	5.7
69.31389	3.3
87.77213	0.8
91.05479	0.9
93.07042	1.9
94.06563	1.4
95.07326	1.1
96.08134	3.3
100.22927	0.8
107.78368	0.8
108.08128	4.0
108.96291	0.9
110.09675	4.4
120.04472	2.9
120.08131	5.2
122.06013	1.3
124.07580	1.4
136.07594	2.9
138.09143	9.0
139.03891	1.4
144.44576	0.9
146.06038	1.1
148.07529	1.0
152.07083	1.0
164.07106	1.4
166.08636	9.3
172.03954	2.8
190.05008	3.0
204.06593	3.4
213.10240	1.4
215.11833	1.0
224.09514	0.9
225.10185	1.9
226.11031	1.2
227.11880	1.5
235.08731	1.9
237.10188	3.8
239.11821	2.1
241.09840	1.0
243.11302	1.9
248.09207	2.0
248.79483	0.9
249.10269	3.8
250.10994	2.4
251.08061	2.2
251.11719	4.1
252.12741	1.2
253.09752	3.6
261.10300	1.6
263.08353	0.9
263.11859	2.2
265.09738	6.8
266.10373	2.4
267.11252	5.1
271.10742	1.3
277.09729	2.3
278.07040	1.1
278.10474	4.3
279.07764	3.7
279.11316	8.4
280.11932	1.1
281.09167	2.3
281.12582	1.3
283.10782	5.8
283.13937	1.1
285.12329	4.0
287.14069	1.5
289.09662	4.6
291.11316	1.6
293.09177	2.9
293.12766	3.5
294.10004	4.1
295.10779	2.5
296.11526	1.7
297.12466	1.6
299.10153	1.9
303.13367	2.4
306.09726	1.3
307.10889	1.7
309.12259	2.1
311.10287	5.7
311.13940	2.1
312.11096	1.9
313.11774	1.7
314.12439	1.2
315.13113	1.0
323.10159	1.4
324.10913	2.0
325.11914	4.7
326.12534	4.3
327.13419	6.4
335.10156	8.4
337.11722	1.5
339.10056	1.7
339.13397	40.2
340.10504	2.5
340.14066	1.5
346.15234	1.0
354.11972	4.3
355.12830	13.0
357.14557	1.7
367.12885	27.4
367.17511	1.6
372.13324	1.2
386.14716	1.5
404.16440	1.2
414.14377	2.3
415.15158	2.5
456.15494	1.1
462.16724	1.1
474.16605	4.8
479.20215	2.5
488.18182	7.3
492.20972	2.9
520.20795	100.0
521.21216	3.7
538.22046	2.0
552.23407	50.2
553.23499	3.3
609.23328	1.2
627.24530	16.2
659.26697	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	709.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77826	3.4
55.01874	7.5
61.02932	4.3
67.05505	3.6
68.92552	3.5
68.99786	9.2
71.50565	4.4
71.50989	3.5
72.49519	3.4
81.03432	4.7
83.04967	4.6
85.02894	7.4
95.01311	11.1
95.04978	8.0
95.19051	3.3
107.04969	8.5
109.02904	8.2
111.04446	12.0
119.04948	5.1
121.02879	3.7
123.04421	96.0
127.03922	15.1
129.05508	3.8
133.79973	3.4
135.04411	51.5
137.02339	8.3
138.71153	3.5
139.03891	96.3
139.04924	6.9
145.02850	5.4
147.04379	26.0
149.02353	6.5
151.03886	26.6
153.01839	32.2
155.03374	3.3
161.02330	4.3
161.05968	8.7
163.03900	97.1
165.01852	14.2
165.05486	9.8
167.03419	13.7
169.06404	3.8
171.04414	3.9
175.03888	6.4
177.05499	7.1
179.03377	71.9
181.01379	7.3
181.05019	4.6
183.02911	6.6
185.05930	3.9
187.03920	12.5
187.07341	3.6
189.01866	4.8
189.05458	9.3
191.03378	15.0
193.05013	13.6
195.02892	4.7
199.03961	5.0
201.05461	7.7
203.03375	15.2
205.01320	8.1
205.04930	9.8
207.02863	9.7
207.06502	6.1
213.05472	12.2
215.03319	12.6
215.07051	4.2
217.01482	5.0
217.04973	13.4
219.02910	5.7
221.04459	14.9
227.03389	15.2
229.01408	9.2
229.04997	12.2
231.02888	16.4
233.04373	6.0
235.02348	5.7
239.03389	5.4
239.05496	37.6
241.04935	13.3
243.02856	8.4
245.04495	6.7
247.06038	9.9
253.04855	4.2
255.02863	12.8
255.06564	7.7
257.04407	15.2
257.06699	23.4
259.02353	7.3
259.06018	56.3
269.04428	13.5
271.02405	4.0
271.06055	14.8
273.03906	100.0
273.07181	6.4
279.06482	4.8
281.04370	6.9
283.02377	28.6
283.06033	36.6
285.04047	16.8
285.07159	4.1
287.05450	14.9
289.06992	4.0
291.05167	3.4
295.05917	8.1
297.03842	17.9
299.05521	6.0
301.03439	88.1
301.07086	48.9
311.05508	15.2
313.03467	16.3
313.06717	5.1
315.05023	12.7
319.05920	6.2
320.06390	6.2
323.05484	4.0
327.05014	16.3
329.06558	12.5
337.06909	5.4
339.04944	20.6
341.06467	31.0
351.05066	21.3
353.06711	5.8
359.07617	57.4
369.06122	23.7
371.07556	5.8
377.08728	21.3
381.06024	7.4
383.07468	4.3
387.07071	52.8
389.08829	4.8
399.07144	14.4
401.08893	7.7
401.13925	4.2
405.08170	17.4
411.10773	47.7
419.09555	14.1
435.06741	36.7
447.11099	6.4
449.08572	4.5
453.07889	7.3
491.09500	5.2
503.09723	16.3
521.10675	59.4
539.11786	61.8
557.12653	13.6
691.21722	5.3
709.16687	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	708.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01870	4.3
55.02099	0.9
55.05508	19.7
56.05833	1.0
57.03438	14.9
57.07060	2.4
59.04992	1.7
61.02919	4.6
65.03933	2.5
67.05501	70.1
68.05828	1.0
69.03434	4.5
69.07067	11.9
70.77034	1.7
71.04991	25.0
73.02908	2.1
73.06530	1.1
79.05489	34.7
81.03413	45.4
81.07051	100.0
82.07380	1.1
83.04976	16.6
83.08611	26.3
85.02901	23.9
85.06548	11.3
87.04474	1.3
91.03925	3.1
91.05477	45.2
93.07039	28.4
93.07633	1.0
95.04962	22.0
95.08607	17.6
97.02880	6.0
97.06525	8.0
97.10155	5.2
99.08119	1.3
103.05490	1.3
105.07025	31.5
107.04945	7.4
107.08591	16.3
109.06509	6.2
109.10154	11.2
111.04447	1.4
111.08073	10.9
113.05986	2.0
115.05473	1.4
117.07003	4.8
119.08571	17.9
119.94298	1.0
121.06474	2.4
121.10144	9.9
123.04380	0.9
123.08045	3.7
123.11697	12.7
125.09628	2.7
127.03888	1.3
127.07552	2.1
129.06998	10.7
131.08559	12.9
133.06490	2.6
133.10127	27.2
135.08054	1.2
135.11708	4.2
137.09587	2.4
139.11205	1.1
142.07741	2.5
143.08591	1.1
145.10089	3.5
147.08052	2.5
147.11671	12.8
149.09608	6.2
149.13254	7.1
151.11162	7.5
157.10117	12.3
159.11714	5.3
163.11157	2.7
165.12700	2.7
169.12151	1.8
173.11633	1.4
175.11185	12.5
177.08994	0.9
177.12726	3.4
179.14389	1.4
183.13805	4.1
187.13297	4.4
188.84096	1.0
193.12238	32.4
195.13857	4.0
201.14819	1.2
211.13286	41.4
225.14764	2.0
227.12872	0.9
229.14276	1.9
232.05009	1.0
243.15886	3.7
253.17928	2.2
257.17496	1.8
267.15887	26.9
269.17432	15.6
275.19785	1.0
283.15295	1.3
285.16965	26.0
301.20087	16.2
331.63953	1.2
349.23602	5.1
351.87277	0.9
404.46884	1.0
417.26270	3.5
435.21582	1.7
435.27423	30.7
436.27896	1.8
439.26706	2.1
443.27878	2.6
453.28455	87.6
454.28738	3.2
461.28967	43.8
467.30063	11.3
479.30029	55.6
480.30292	2.2
493.31848	1.9
511.32761	61.3
512.32831	2.5
655.36566	1.8
707.92432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01619	1.3
51.02386	1.9
53.03939	5.4
55.01638	1.7
55.01873	17.1
55.05510	37.0
57.03438	32.5
57.07058	3.5
59.04990	1.8
61.02929	7.7
62.79959	1.1
65.03929	4.2
67.05505	51.3
69.03429	10.3
69.07073	13.4
70.04202	1.1
70.22189	5.4
71.01359	1.2
71.04990	7.8
73.02917	8.3
79.05490	51.0
81.03419	93.7
81.07055	50.2
82.04202	6.6
83.04977	31.6
83.08614	37.2
85.02907	32.0
85.06532	4.3
87.04492	1.5
91.03949	3.9
91.05480	52.2
93.07042	37.0
94.04192	1.8
95.04965	42.0
95.08002	1.2
95.08606	22.3
97.02881	11.9
97.06537	11.5
97.10172	18.7
98.07327	5.8
99.04446	2.7
99.08079	3.0
101.06000	2.0
105.07032	30.3
107.04952	12.5
107.08588	19.1
108.05734	1.4
109.02847	1.4
109.06519	9.7
109.10144	13.9
111.04404	5.8
111.08080	19.8
113.06011	3.6
116.04710	15.1
117.07027	6.8
119.04885	1.4
119.08580	27.8
121.06507	4.8
121.10126	13.9
123.08040	8.1
123.11682	3.4
125.09628	18.7
126.10342	1.2
127.11190	3.0
128.06264	1.7
129.05490	35.5
129.06961	15.9
131.08569	20.0
133.06491	3.4
133.10126	19.6
135.08055	3.4
135.11678	6.5
136.08795	1.9
137.09598	4.5
139.11162	1.3
142.07767	4.8
143.07036	7.4
143.08429	1.2
143.10655	1.8
145.10114	8.1
147.08023	6.2
147.11690	23.0
149.09633	8.9
151.11154	1.9
153.12721	3.5
157.08594	14.1
157.10115	20.7
158.05797	1.7
161.05992	1.2
163.11163	9.3
164.11917	1.7
165.12753	5.3
171.06522	2.8
171.10184	5.7
173.09685	1.6
173.11752	4.1
175.11200	18.5
181.12228	3.2
185.11783	2.4
189.11226	9.1
191.10661	4.9
193.12236	78.4
194.12584	1.3
195.49893	1.3
195.54924	1.1
199.13271	15.7
200.14093	2.4
209.11722	10.4
210.12524	2.8
211.13286	100.0
212.13583	1.3
219.13823	1.3
227.12802	17.2
229.14345	5.2
233.82568	1.0
240.33582	1.3
247.13318	3.3
249.14868	2.1
255.15906	2.7
257.17441	1.3
267.15915	33.8
283.15317	12.7
284.16074	2.1
285.16959	70.4
286.17325	2.3
301.16449	89.5
321.16898	1.4
339.18039	2.5
403.48892	1.3
409.25772	3.6
421.25986	1.3
427.26819	3.7
439.26984	11.7
459.27277	5.2
475.26926	2.7
476.27515	2.0
477.28329	4.0
493.27979	16.7
494.28867	7.6
511.29025	71.4
512.29340	3.7
562.08087	1.4
565.46741	1.6
599.75836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.0
53.03935	6.4
53.95301	1.6
55.01854	6.2
55.05269	2.4
55.05512	26.9
57.03435	16.5
57.07062	4.7
59.04987	3.0
61.02914	6.1
65.03931	4.9
67.05505	100.0
69.03428	19.7
69.07069	27.2
69.48309	13.4
71.01364	2.0
71.04990	33.1
71.08617	2.5
73.02911	6.0
73.60793	2.0
77.00175	1.5
79.05492	58.3
79.12029	1.5
81.03417	37.9
81.07053	64.7
83.04984	14.8
83.08611	14.1
85.02904	12.4
85.06531	5.7
87.04470	1.7
91.03967	1.9
91.05480	61.0
93.07043	56.7
95.04982	13.7
95.07986	2.5
95.08606	48.9
97.02887	16.6
97.06523	9.3
97.10159	7.3
98.20786	3.0
99.04435	5.7
99.08094	3.3
101.49137	1.7
105.04504	2.0
105.07029	52.4
107.04941	6.8
107.08588	34.3
108.08936	1.8
109.02876	5.2
109.06520	6.8
109.10153	49.8
111.04411	4.2
111.08072	4.1
113.06003	1.8
113.09648	2.6
117.07014	23.1
119.08579	49.6
121.06500	6.2
121.10143	28.1
123.04466	1.9
123.08071	5.3
123.11699	6.2
125.09650	5.3
127.03914	6.3
128.06229	4.2
129.05484	4.1
129.07005	16.0
130.07785	2.3
131.04907	3.2
131.08569	35.3
133.10121	37.5
135.08049	5.2
135.11694	20.4
137.05956	2.2
137.09604	9.5
137.13190	2.4
139.11150	1.9
141.06982	5.9
142.07784	3.0
143.08556	18.1
145.06456	2.7
145.09055	3.1
145.10117	33.7
147.08043	1.9
147.11694	22.5
149.09622	4.1
149.13229	6.5
151.11174	6.5
155.07399	1.4
155.08537	10.4
155.10667	1.7
157.06487	1.9
157.10110	14.2
159.08110	2.3
159.11696	21.4
161.09584	6.5
161.13293	12.1
163.11180	5.8
163.14856	2.6
165.12785	3.0
167.08551	5.5
168.47581	1.6
169.10130	12.6
171.11702	16.6
173.04449	14.3
173.05861	3.4
173.09604	3.0
173.11763	8.4
173.13266	15.1
175.11165	4.0
175.14832	6.4
177.12733	2.7
179.10651	4.4
179.14301	3.3
181.10120	5.9
181.12234	2.7
183.11681	9.8
184.07292	4.1
185.13261	9.8
187.11215	2.6
187.13319	2.0
187.14822	6.5
189.12776	2.5
193.15761	1.6
195.11705	5.0
197.09579	1.6
197.13203	8.9
199.11185	3.8
199.14909	8.3
201.16388	2.6
207.11748	2.7
209.13284	5.0
211.13184	3.3
211.14894	4.4
213.16493	3.5
215.12532	1.7
215.14421	2.0
221.13289	2.2
223.14804	2.2
225.12811	2.5
225.16411	2.5
229.14371	7.2
239.14366	2.1
241.12325	1.9
241.19516	6.3
243.15930	6.6
243.21022	2.9
245.17456	2.9
253.14232	2.7
255.15942	5.4
257.18948	5.2
259.20544	14.5
261.22150	7.2
271.15363	2.1
273.18600	2.8
275.20053	5.6
277.21603	4.2
285.16797	1.8
285.22318	2.5
287.18442	3.4
289.21545	2.6
291.19617	2.4
295.20584	2.1
301.21683	2.1
309.22018	2.4
309.25568	1.8
311.23642	2.7
315.23157	3.6
325.21820	2.1
333.24332	10.9
335.25693	4.9
339.22943	3.1
343.22845	2.4
349.21274	2.1
351.25391	1.6
367.22537	2.9
369.24207	4.0
372.10187	1.7
385.23779	2.1
395.29315	2.2
399.20078	3.7
421.30850	2.2
431.22894	2.3
444.46033	1.7
469.33157	3.9
471.34720	3.9
487.34067	19.2
489.28961	3.6
489.35748	51.4
490.35910	2.7
495.34781	3.9
503.37112	5.1
513.35687	43.2
514.35712	2.1
515.37012	2.1
517.33899	1.8
519.36652	4.0
527.36591	2.3
531.36743	4.4
545.38257	13.7
555.37042	1.9
595.36243	2.7
609.45422	7.9
621.38287	2.7
639.38373	3.9
653.40131	4.9
657.39783	8.5
671.40814	3.0
675.41388	10.2
680.69257	1.8
686.35339	2.2
689.42017	10.3
707.42987	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	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.9
55.01864	13.4
55.05505	37.7
57.03418	19.7
57.07064	12.6
65.03926	5.2
65.96146	3.1
67.05500	92.0
69.03416	18.5
69.07053	26.0
71.04978	8.0
79.05482	71.4
79.15211	3.5
81.03416	86.4
81.07051	100.0
82.07368	4.1
83.04974	32.8
83.08611	25.8
85.02889	19.2
85.06543	4.5
86.09702	12.2
87.04470	63.6
88.04775	7.9
91.05476	64.0
93.07032	70.1
95.04966	31.2
95.08604	55.8
97.02869	19.5
97.06532	18.8
97.10138	17.6
98.20738	7.5
98.98460	5.5
99.04456	4.4
99.08061	4.7
105.07017	59.5
107.04929	13.5
107.08571	40.6
109.02878	16.6
109.06485	10.0
109.10130	28.2
111.04433	24.7
111.08088	13.5
115.05425	4.3
117.06993	14.5
119.08577	52.5
121.06492	5.8
121.10137	32.3
123.08060	10.2
123.11681	12.1
124.99982	8.2
125.09638	6.7
127.03915	11.3
127.86038	3.6
129.05467	12.6
129.06985	10.9
131.04922	3.8
131.08546	28.9
133.06488	6.6
133.10130	36.3
135.08026	4.1
135.11681	19.6
137.09595	7.7
142.07779	5.8
143.08525	12.4
145.10112	27.6
147.08093	5.6
147.11649	22.3
149.09612	12.7
149.13210	10.4
153.12711	6.3
155.08563	6.6
157.10085	11.8
159.11694	18.2
161.13255	9.2
163.11197	15.2
163.14830	5.2
164.51593	3.8
165.12766	6.6
169.10144	5.8
171.11681	8.0
173.09618	5.8
173.13240	14.8
175.11157	16.2
175.14861	6.0
177.12805	3.9
179.14336	5.7
181.10138	4.6
181.12268	10.9
183.11671	4.9
184.07338	31.6
185.07707	4.7
185.13251	8.3
187.14955	4.1
191.10689	10.6
193.12268	32.4
199.14836	11.0
201.16360	5.3
209.11551	4.9
209.13316	5.6
211.13268	46.4
213.16376	5.6
227.10870	3.8
227.12631	19.5
229.14325	7.0
235.41411	3.7
241.19531	5.0
243.21008	4.3
249.14595	4.1
256.64761	4.0
261.22034	6.9
262.60413	3.8
267.15802	11.1
271.20645	4.2
275.19952	8.2
277.21484	14.7
279.23181	4.9
283.15579	8.6
285.16907	25.0
301.21567	4.2
335.25812	19.7
337.27402	10.3
351.24405	6.0
369.24097	5.7
383.32739	4.4
387.25058	6.3
413.22180	5.3
461.28748	6.2
479.29874	4.8
527.37073	16.0
545.38306	35.6
591.43463	4.0
609.44885	37.4
639.43146	4.8
671.41486	6.2
689.42395	24.1
707.43524	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.9
55.01864	13.4
55.05505	37.7
57.03418	19.7
57.07064	12.6
65.03926	5.2
65.96146	3.1
67.05500	92.0
69.03416	18.5
69.07053	26.0
71.04978	8.0
79.05482	71.4
79.15211	3.5
81.03416	86.4
81.07051	100.0
82.07368	4.1
83.04974	32.8
83.08611	25.8
85.02889	19.2
85.06543	4.5
86.09702	12.2
87.04470	63.6
88.04775	7.9
91.05476	64.0
93.07032	70.1
95.04966	31.2
95.08604	55.8
97.02869	19.5
97.06532	18.8
97.10138	17.6
98.20738	7.5
98.98460	5.5
99.04456	4.4
99.08061	4.7
105.07017	59.5
107.04929	13.5
107.08571	40.6
109.02878	16.6
109.06485	10.0
109.10130	28.2
111.04433	24.7
111.08088	13.5
115.05425	4.3
117.06993	14.5
119.08577	52.5
121.06492	5.8
121.10137	32.3
123.08060	10.2
123.11681	12.1
124.99982	8.2
125.09638	6.7
127.03915	11.3
127.86038	3.6
129.05467	12.6
129.06985	10.9
131.04922	3.8
131.08546	28.9
133.06488	6.6
133.10130	36.3
135.08026	4.1
135.11681	19.6
137.09595	7.7
142.07779	5.8
143.08525	12.4
145.10112	27.6
147.08093	5.6
147.11649	22.3
149.09612	12.7
149.13210	10.4
153.12711	6.3
155.08563	6.6
157.10085	11.8
159.11694	18.2
161.13255	9.2
163.11197	15.2
163.14830	5.2
164.51593	3.8
165.12766	6.6
169.10144	5.8
171.11681	8.0
173.09618	5.8
173.13240	14.8
175.11157	16.2
175.14861	6.0
177.12805	3.9
179.14336	5.7
181.10138	4.6
181.12268	10.9
183.11671	4.9
184.07338	31.6
185.07707	4.7
185.13251	8.3
187.14955	4.1
191.10689	10.6
193.12268	32.4
199.14836	11.0
201.16360	5.3
209.11551	4.9
209.13316	5.6
211.13268	46.4
213.16376	5.6
227.10870	3.8
227.12631	19.5
229.14325	7.0
235.41411	3.7
241.19531	5.0
243.21008	4.3
249.14595	4.1
256.64761	4.0
261.22034	6.9
262.60413	3.8
267.15802	11.1
271.20645	4.2
275.19952	8.2
277.21484	14.7
279.23181	4.9
283.15579	8.6
285.16907	25.0
301.21567	4.2
335.25812	19.7
337.27402	10.3
351.24405	6.0
369.24097	5.7
383.32739	4.4
387.25058	6.3
413.22180	5.3
461.28748	6.2
479.29874	4.8
527.37073	16.0
545.38306	35.6
591.43463	4.0
609.44885	37.4
639.43146	4.8
671.41486	6.2
689.42395	24.1
707.43524	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00352	0.3
57.03407	0.8
59.37991	0.3
69.03404	0.5
70.94021	0.7
70.94359	0.5
73.02898	0.5
81.03390	0.3
82.99870	1.3
85.02892	0.9
97.02865	1.0
101.00868	4.8
109.02878	0.7
113.00847	1.0
116.98487	0.3
119.01920	12.4
120.02032	0.3
122.01342	1.4
127.02416	1.0
127.03870	0.5
128.01340	0.4
131.01906	8.9
131.51921	1.1
134.01323	0.6
136.84709	0.4
137.01874	3.1
137.02940	1.5
137.51891	0.4
140.02399	0.4
142.03481	0.4
142.52682	0.3
143.01891	15.9
143.51984	0.8
145.03458	7.6
147.01332	1.0
149.01868	0.9
149.02953	0.7
152.02423	1.9
152.52414	0.6
153.01825	0.4
153.03964	0.4
155.01883	8.4
157.03455	3.7
158.02411	1.0
161.02959	19.8
162.03081	0.7
163.04448	1.2
167.01884	5.4
167.03151	0.6
169.03459	2.0
170.02322	0.4
171.05003	2.6
173.02966	18.5
173.52997	0.8
174.03055	0.7
175.04472	1.3
179.01775	2.2
181.03432	0.7
182.03542	0.7
184.04558	0.8
185.02951	32.0
186.03134	1.1
187.04533	3.8
191.04005	1.0
194.03462	0.6
196.04453	0.5
197.02954	12.7
198.03241	0.4
199.04501	0.9
203.04007	14.5
203.54147	1.0
204.03961	1.0
208.04568	1.2
209.02950	0.8
211.04649	0.3
212.04597	0.5
215.04001	8.9
219.01741	0.4
221.02962	0.4
221.05019	1.1
223.55412	0.6
224.04539	1.7
224.54631	0.5
226.05647	0.4
227.03986	7.5
228.04272	0.3
233.05251	0.7
239.04076	1.0
245.05066	100.0
246.05264	3.8
247.04901	0.3
254.05598	0.9
255.02126	0.4
257.05045	5.1
263.06122	13.6
264.06357	0.5
275.06110	10.7
276.06296	0.6
283.03622	0.3
283.06683	0.8
284.06638	3.9
284.56836	0.7
285.06839	0.4
286.07645	0.8
293.07123	3.2
305.07190	11.0
316.08582	0.4
317.07230	0.4
335.08115	3.5
347.08249	1.3
353.11337	0.5
364.09439	0.5
364.59625	0.6
365.09299	47.1
365.59433	1.1
366.09641	2.0
383.10486	3.6
406.11890	0.9
407.10556	0.6
425.11417	36.5
426.11768	2.4
437.11234	2.1
455.12552	2.2
465.18649	0.4
467.12177	0.3
485.13470	0.9
560.01270	0.3
712.59644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21291	0.4
62.51286	0.4
70.01593	1.7
81.03475	0.4
82.95599	0.4
82.99414	0.4
82.99879	1.4
97.02852	0.6
101.00869	4.7
104.26031	0.4
110.01370	0.4
112.90852	0.4
113.00864	1.4
115.62299	0.4
119.01049	0.6
119.01916	12.5
122.01361	2.4
122.51463	0.6
127.02399	0.7
128.01291	0.7
129.03986	0.5
131.01904	12.0
131.51962	1.5
137.01889	4.4
137.02954	1.9
137.51910	1.0
142.52724	0.5
143.01891	19.6
143.51990	0.7
145.03467	6.3
146.02362	0.5
147.01337	0.7
147.05011	0.5
148.52647	0.5
149.01921	1.1
149.51970	0.9
152.02434	3.7
152.52473	0.6
153.03912	0.4
155.01869	8.7
157.03465	5.1
158.02437	1.1
158.52536	0.4
161.02948	20.1
162.02980	0.5
163.04555	1.2
164.02362	1.3
167.01855	6.6
167.03081	0.8
169.03444	2.2
171.01390	0.5
171.05011	2.3
173.02956	22.9
173.53050	1.6
174.02953	0.7
175.04532	1.3
179.01753	2.2
181.03445	0.5
182.03490	1.6
182.53737	0.4
184.04529	0.5
185.02945	37.4
186.03110	1.2
187.04514	4.6
191.03987	1.0
194.03496	1.1
194.53598	0.5
196.04552	0.4
197.02930	14.3
199.04524	0.9
203.03996	16.4
203.54041	2.1
204.04233	0.5
208.04607	0.8
209.02968	1.1
212.04500	1.3
215.03989	9.9
220.04315	0.6
221.05075	1.1
223.77295	0.5
224.04498	2.2
224.54596	0.7
227.03975	9.3
233.05093	0.9
239.04622	0.4
243.01883	0.4
245.05058	100.0
246.05257	3.9
254.05666	1.6
257.05084	5.7
263.06119	15.4
264.06482	0.5
275.06131	11.8
284.06631	4.6
284.56754	1.5
285.06192	0.4
286.07697	0.7
293.07162	4.9
305.07175	10.8
306.07230	0.6
317.07095	0.5
329.07095	0.6
335.08185	4.1
347.08380	0.7
351.97903	0.4
365.09286	44.1
365.59375	1.6
366.09412	1.4
383.10397	3.5
406.11829	0.8
407.10547	0.9
425.11380	37.4
426.11646	1.9
437.11475	2.4
455.12476	1.9
485.13092	0.8
656.36694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
56.05037	0.6
56.79321	0.1
56.85612	0.1
57.03429	0.1
57.07060	0.1
58.06618	0.4
59.07115	0.1
59.07379	0.1
60.08160	6.3
65.23249	0.1
67.05488	0.2
70.06573	0.1
71.07367	3.1
71.08611	0.1
72.93100	0.1
79.05481	0.2
80.97453	0.1
81.03400	0.1
81.07058	0.2
83.08616	0.1
85.02856	0.1
86.09700	30.3
87.10032	0.2
91.05454	0.2
93.07050	0.2
95.08605	0.2
98.98457	2.8
104.10738	2.4
105.07019	0.2
107.08630	0.1
109.72397	0.1
115.05395	0.1
119.08576	0.2
124.99993	20.1
131.08534	0.1
133.10117	0.1
143.01025	0.2
163.01511	0.1
166.02626	0.2
184.07327	100.0
185.07697	0.8
229.38351	0.1
275.19763	0.1
334.74374	0.1
424.13867	0.1
435.42188	0.1
462.21246	0.1
496.33731	0.1
670.05566	0.1
706.46454	5.5
707.46552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28502	0.9
55.01863	2.1
55.05510	10.2
57.03436	11.7
57.26204	0.7
58.12760	0.8
61.02930	0.9
65.03947	1.0
67.05503	16.8
69.03426	2.9
69.07064	6.0
71.04983	3.6
73.02886	0.9
79.05077	1.4
79.05493	17.3
81.03415	74.6
81.07054	18.5
83.04977	10.6
83.08617	16.9
85.02909	11.6
85.06535	1.5
91.05475	23.0
93.07040	12.2
95.04964	24.9
95.08607	8.8
97.02899	3.7
97.06519	3.1
97.10152	4.8
99.08061	0.9
105.07030	16.3
107.04955	7.0
107.08610	7.2
109.06512	4.1
109.10146	3.1
111.04440	1.7
111.08092	6.7
113.06015	1.7
115.05456	1.6
117.06994	2.6
119.04908	1.5
119.08575	14.9
121.06493	5.6
121.10150	7.8
123.04432	1.2
123.08053	2.9
124.01330	0.7
125.09605	2.6
128.06264	1.2
129.06990	9.5
130.07701	0.8
131.04919	0.9
131.08560	11.6
133.06500	4.2
133.10139	8.4
135.07990	1.2
135.11674	1.3
137.05963	1.0
137.09596	2.5
137.69672	0.8
139.11234	1.0
141.06870	0.8
142.07756	1.9
143.08545	1.0
145.06467	2.8
145.10130	2.5
147.08051	5.5
147.11665	11.0
149.09610	5.9
155.08578	1.1
157.10130	12.1
159.08092	0.9
159.11655	1.3
163.11145	1.9
165.12778	2.3
167.10678	1.1
171.08046	1.0
171.11740	0.9
175.11160	11.8
185.09726	0.9
186.80573	0.8
189.11209	1.3
193.12242	28.5
197.13235	0.8
211.11308	0.8
211.13272	18.3
227.12653	0.8
229.14214	1.0
233.15295	0.8
249.14882	2.1
255.13692	2.0
267.15906	100.0
268.16260	3.0
273.14825	3.9
281.15564	0.8
285.16968	21.4
325.41913	0.9
336.73822	0.9
339.23145	1.2
341.21252	1.3
349.21616	3.9
357.17059	0.8
367.22623	8.5
385.23788	12.1
386.23547	0.9
403.24863	2.5
405.24048	1.5
433.25916	13.8
441.26126	6.6
459.27396	72.8
460.27655	3.0
477.28488	46.0
478.28781	2.0
509.27341	2.3
519.29565	1.0
647.97473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40139	0.6
53.00307	0.9
53.03930	1.6
55.01866	3.0
55.05511	14.0
57.03441	9.9
59.04994	2.2
60.63316	0.7
61.02919	2.5
65.03931	1.1
67.05504	15.8
69.03444	3.4
69.07063	3.7
69.17469	7.7
71.01341	0.9
71.04989	2.2
72.38880	0.7
73.02920	1.5
79.05492	15.1
81.03420	36.0
81.07056	19.2
81.77785	0.5
83.04979	9.2
83.08622	16.1
85.02443	1.1
85.02911	13.4
85.06530	0.9
86.06101	0.7
88.40958	0.6
91.03964	1.5
91.05483	20.9
93.07048	15.2
95.04973	15.2
95.08606	8.0
97.02892	5.0
97.06532	4.1
97.10172	2.8
99.00818	10.3
99.04477	1.5
99.08077	1.2
102.63280	0.7
103.05493	1.2
105.07037	18.3
107.04959	6.1
107.08588	7.4
109.02860	5.4
109.06539	3.7
109.10157	3.6
111.04456	2.1
111.08084	7.0
113.06004	1.5
115.03939	1.4
116.10757	1.0
117.07009	3.0
119.04967	1.3
119.08584	14.1
121.06510	4.6
121.10148	5.9
123.04436	1.8
123.08060	2.2
123.10950	0.6
123.11746	2.1
125.09619	1.8
127.03914	2.4
128.06287	1.0
129.07014	5.8
131.04950	1.2
131.08563	5.7
133.06500	2.0
133.10130	26.1
135.08073	1.2
135.11731	1.5
137.05981	2.7
137.09624	2.1
139.07564	2.5
142.07748	1.4
143.08559	2.5
145.10141	2.5
147.04411	0.7
147.08080	2.6
147.11684	7.3
149.09599	3.0
151.11182	6.5
155.08537	0.8
157.08934	1.1
157.10117	8.1
161.09598	10.2
163.07495	1.0
163.11206	1.3
165.09105	1.3
165.12767	1.4
171.08076	2.2
175.11171	8.4
179.10646	5.9
187.03886	1.1
189.09122	5.7
193.12239	26.5
197.11737	2.3
207.10191	2.0
211.13289	48.8
211.66124	0.6
219.13847	1.2
225.11214	8.6
227.12833	1.5
235.14989	0.9
243.12297	2.2
267.13046	1.0
267.15915	18.8
281.13889	4.9
283.15588	1.2
285.16971	46.3
299.14899	58.0
300.15173	1.0
314.11386	0.8
445.25900	1.4
459.27423	2.2
473.25674	3.2
477.28372	2.8
491.26428	14.6
495.29385	2.8
509.27463	100.0
510.27689	3.3
543.17078	0.8
544.16742	3.3
545.17389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
55.01872	25.8
55.05508	42.7
57.03436	33.7
57.07061	2.3
57.54581	1.7
59.04980	6.0
60.08133	2.9
61.02925	13.3
65.03938	3.9
67.05505	56.9
68.05828	1.9
69.03430	11.5
69.07070	15.5
69.49448	5.6
69.49863	4.7
71.01337	2.6
71.05000	8.3
71.05335	1.9
73.02911	6.8
75.15960	1.2
79.05492	55.0
81.03413	49.0
81.07053	53.8
81.07534	2.6
82.04192	6.6
83.01340	12.2
83.04980	31.8
83.08615	25.9
84.02094	2.0
85.02908	18.0
85.06528	2.6
86.09695	15.4
87.04447	1.7
91.03961	7.8
91.05479	50.8
92.05756	2.2
93.07041	53.5
94.04200	1.8
95.04964	31.8
95.08598	25.0
97.02885	11.5
97.06535	11.5
97.10159	23.1
98.07354	7.4
99.04453	4.4
101.06035	1.7
103.05465	1.7
105.07027	31.6
106.07304	1.8
107.04951	27.2
107.08589	32.0
109.02826	2.1
109.06509	15.6
109.10149	17.0
111.04431	6.1
111.08076	9.7
113.05984	1.7
114.94134	1.6
115.05455	2.5
116.04723	14.6
117.07012	16.3
119.08572	24.8
120.09368	2.2
121.06492	10.7
121.10142	15.9
123.04440	3.0
123.08068	15.4
125.00000	12.1
125.05997	2.6
125.08789	1.7
125.09630	21.1
127.03885	2.6
129.05479	37.9
129.06949	9.9
131.04926	1.8
131.08548	12.1
133.06470	2.8
133.10149	11.6
135.08070	6.7
135.11687	22.1
137.09599	7.2
139.07541	2.1
141.33012	1.3
143.07005	8.9
143.08542	4.0
143.10674	2.1
145.10110	26.2
147.07999	5.7
147.11671	11.9
149.06017	1.9
149.09601	5.4
151.11211	1.5
153.05544	1.5
153.09108	2.6
153.12732	6.1
155.08533	4.0
155.10695	1.3
157.08597	17.8
157.10117	6.4
158.05696	2.5
159.11620	1.9
161.09581	2.7
161.13263	1.7
163.11177	37.5
171.10146	4.6
171.11658	3.8
173.09628	6.7
173.11760	3.0
175.11159	4.5
181.12259	6.9
184.07333	49.9
189.11200	9.8
189.12801	3.2
190.09966	2.2
191.10654	6.4
193.12195	10.6
199.13251	9.5
200.14049	2.5
201.14853	1.7
207.13699	3.2
209.11670	11.4
210.12506	3.4
211.13275	5.2
212.13579	2.2
224.13570	2.3
227.12756	23.4
227.90842	1.4
229.14345	2.5
250.17935	1.5
255.15910	2.4
267.15927	19.9
270.49362	1.6
275.67944	1.4
281.17456	7.7
283.15381	100.0
284.15979	2.4
285.16888	3.1
297.16959	1.5
298.17139	1.9
301.16437	88.4
337.16425	4.4
365.19836	1.9
381.98679	1.5
383.21848	2.4
425.25201	3.6
437.25079	7.2
459.26733	1.8
473.28952	23.4
474.26108	2.5
475.26788	9.0
477.28302	2.1
491.26175	2.9
492.27200	8.7
493.27621	2.8
502.62991	1.6
508.29608	1.9
509.27383	95.5
525.60266	1.6
527.28528	1.9
656.35242	5.9
706.38605	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	705.448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49082	1.9
55.01867	2.3
55.05508	17.8
57.03415	3.8
57.07065	7.6
67.05502	28.4
69.03420	2.1
69.07057	15.3
71.04974	3.5
71.51970	2.4
74.20615	1.8
77.48398	2.0
78.57551	1.8
79.05487	14.6
81.07046	24.3
82.31763	2.0
83.04996	2.3
83.08615	9.9
86.09708	4.0
91.05469	15.3
93.07040	18.6
95.04964	2.6
95.08599	20.8
97.06522	4.0
97.10139	4.8
105.07034	19.0
107.08620	11.5
109.10139	8.0
113.00011	51.4
115.05449	2.7
117.07026	5.9
119.08585	15.8
121.10149	7.9
123.11742	2.5
128.06168	3.2
129.06969	10.8
131.08577	14.1
133.10089	10.3
135.11722	4.4
141.06981	4.3
142.07806	3.8
143.08540	21.6
145.10088	17.6
147.11693	6.3
153.07076	2.6
155.08553	12.5
157.10132	13.2
159.11745	10.0
161.13293	3.1
161.14774	2.3
166.07794	2.3
167.08580	5.4
168.09377	2.8
169.02663	4.3
169.10069	17.2
171.11716	14.2
173.13237	6.3
175.14821	3.0
181.10103	12.6
183.11667	13.8
184.07373	6.9
185.13225	11.4
187.03738	3.7
187.14851	5.3
195.11714	6.8
197.13260	12.2
197.69032	2.2
199.14862	11.5
201.16451	2.6
207.11586	2.5
209.13307	7.3
211.14828	8.7
213.16415	6.1
215.18086	3.1
221.13310	3.4
223.14891	4.2
225.16449	6.1
225.92813	2.0
227.17899	5.9
235.14827	3.7
237.16350	4.9
239.17982	2.9
241.19554	3.3
251.17961	2.5
253.19507	3.8
254.48523	3.1
263.17865	2.5
267.21008	2.4
295.24167	2.5
327.23587	2.2
339.23254	2.6
409.31073	2.1
410.79163	2.3
494.39426	2.4
519.41986	8.0
520.41370	2.4
537.43024	9.5
575.44482	3.5
593.45605	100.0
594.45789	7.9
611.46533	4.9
705.34521	2.9
705.44788	84.8
706.45007	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01867	21.5
55.05510	23.0
57.03434	5.1
60.08151	5.4
65.03920	4.0
67.05502	47.0
69.03416	11.4
69.07063	25.7
71.04987	4.7
71.07355	4.2
71.08619	3.0
71.52495	4.0
79.05488	45.2
81.03407	26.8
81.07052	57.4
83.04960	10.6
83.08617	13.6
86.09703	36.6
91.05475	50.2
93.07043	48.0
95.01308	4.9
95.04941	11.4
95.08601	29.6
95.42213	3.3
97.02891	6.0
97.06524	46.7
97.10169	4.9
98.98440	11.1
105.07024	56.1
107.04961	15.1
107.08581	26.0
109.02871	4.4
109.06509	7.3
109.10138	9.8
111.04440	3.9
111.08116	4.8
115.05461	3.1
117.06990	14.8
119.08592	32.9
121.10117	13.0
123.11710	6.9
125.00013	19.0
125.09588	2.9
127.03934	7.4
127.09724	2.7
128.06210	3.0
129.05482	3.9
129.06985	10.0
131.08546	22.4
133.06364	3.6
133.10121	35.0
135.11679	7.3
137.09561	3.9
141.06998	3.7
143.08519	9.7
145.10074	14.5
147.11658	11.6
149.09602	9.1
149.13248	9.5
151.11200	3.8
155.08548	3.9
157.10086	9.1
159.11662	9.8
161.13251	7.1
163.11121	6.4
169.10118	4.8
171.11687	9.3
173.04478	4.0
173.13269	5.3
179.14311	14.9
183.11620	4.3
184.07329	100.0
185.07770	13.9
185.13269	3.7
187.14793	3.5
195.13870	4.0
223.19728	3.0
257.18994	7.8
261.22217	4.2
273.18509	4.1
275.17062	2.3
275.20023	65.3
293.21109	3.6
328.60117	3.7
339.17975	4.4
349.23871	24.5
388.14407	3.3
395.20688	4.5
413.21710	21.4
416.16360	3.8
543.36682	36.3
607.43512	29.1
687.40930	32.6
705.43420	15.2
716.99469	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	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.4
52.04613	3.4
53.03941	13.5
54.69805	3.7
55.01875	19.5
55.05510	44.9
57.03427	15.7
57.07068	4.9
61.02904	5.5
65.03931	4.9
67.05504	95.1
69.03436	26.8
69.07070	32.9
71.04992	12.8
71.52766	5.8
71.53124	3.7
73.02916	3.6
74.77189	3.2
76.99799	3.0
79.05490	66.4
81.03421	58.7
81.07055	100.0
83.04972	18.8
83.08619	26.7
85.02897	17.2
85.06536	6.4
86.09699	12.2
91.05482	70.1
93.07041	83.8
95.04948	23.2
95.08603	49.1
97.02883	19.9
97.06532	27.5
97.10197	6.5
98.98470	7.9
99.04441	9.0
105.07030	57.1
107.04939	15.8
107.08598	44.3
109.02896	13.9
109.06507	7.2
109.10166	25.2
111.04452	7.6
111.08049	11.6
115.05457	6.9
117.07001	28.9
119.08572	44.2
121.06505	12.1
121.10143	28.0
123.08089	6.2
123.11686	12.5
125.00038	6.6
125.09617	6.1
127.03924	15.3
129.05470	7.5
129.06975	21.5
131.04860	3.9
131.08566	29.2
133.06512	7.3
133.10130	37.1
135.08052	6.4
135.11688	18.2
137.09615	5.6
141.07014	5.0
142.07715	7.0
143.08549	22.8
145.10121	28.5
147.08051	7.6
147.11728	23.7
149.09621	15.8
149.13239	19.3
153.99927	4.3
155.08539	14.0
157.10094	17.6
159.11720	20.9
161.09758	3.5
161.13315	9.9
163.11176	12.2
165.12662	7.1
167.08551	4.9
169.10129	13.1
171.11690	17.6
173.04460	11.3
173.13243	12.6
177.12726	6.5
179.14388	4.1
181.10121	8.7
183.11781	6.2
184.07356	39.2
185.13300	12.8
187.14844	6.5
195.11711	7.8
195.13866	9.5
197.13232	6.1
199.14777	4.9
201.12746	4.3
209.13409	3.5
211.14812	4.1
212.34061	3.5
215.14355	6.4
221.13280	5.9
227.12724	10.4
229.19391	4.2
239.17915	6.8
249.16455	4.3
257.18997	7.2
267.16028	7.0
269.17441	19.0
275.20078	36.8
287.19638	3.7
293.21170	11.1
299.76105	4.0
333.24231	4.3
339.17969	4.6
349.23672	14.5
413.21536	8.9
417.04355	3.7
447.31403	4.0
451.32089	6.2
463.30753	9.3
469.33249	6.0
509.35593	4.3
515.37823	6.7
525.35632	27.8
543.36774	73.6
607.34509	7.2
607.43365	17.6
687.40656	16.8
705.31415	6.1
705.42316	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	705.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32951	0.8
53.03930	2.5
55.01854	3.7
55.05506	18.3
57.03434	8.0
61.02922	11.9
62.27406	0.9
65.03938	1.9
67.05499	27.6
69.03426	9.3
69.07066	10.1
70.33911	3.5
71.04975	3.6
73.02921	7.2
76.61240	0.9
79.05489	22.1
81.03410	17.2
81.07048	27.1
83.04990	6.2
83.08619	9.5
85.02898	10.5
85.06545	1.7
91.03950	6.2
91.05477	20.0
93.07040	18.9
95.04962	8.9
95.07988	1.1
95.08601	18.6
97.02885	9.2
97.06503	2.9
97.10149	9.3
99.04427	1.9
105.07027	17.3
107.04945	4.2
107.08586	14.7
109.02827	2.8
109.06516	4.1
109.10161	9.9
111.04430	1.8
111.08050	4.0
115.03917	1.0
115.05446	1.5
116.27814	0.9
117.07006	11.0
119.04885	1.3
119.08564	14.4
121.06480	5.2
121.10133	9.5
123.08056	3.1
123.11707	3.0
125.09615	7.5
127.03896	3.1
128.06151	2.6
129.05495	1.6
129.06987	10.5
130.07718	1.0
131.04840	1.2
131.08562	14.6
133.06499	1.9
133.10121	11.8
135.08046	4.1
135.11667	4.3
137.09604	2.1
141.06958	3.1
141.56903	0.9
142.07799	1.9
143.08562	9.0
145.06459	4.0
145.10114	12.5
147.08034	2.8
147.11679	6.3
149.09563	4.2
149.10640	0.9
149.13252	2.0
153.06941	1.6
153.09099	1.0
155.08528	6.6
157.10118	9.0
159.08032	3.2
159.11697	10.0
161.09560	2.4
161.13268	3.3
163.11142	3.7
167.08565	2.0
169.10089	5.8
171.08080	2.2
171.11638	6.6
173.09608	2.8
173.13211	4.8
175.11183	3.6
175.14792	1.6
177.12733	1.0
181.10089	3.3
183.08058	1.7
183.11693	5.4
184.07335	1.6
185.09598	1.4
185.13222	5.0
187.11151	2.3
187.14810	2.8
189.11165	2.8
189.12843	1.2
191.10803	1.2
193.10135	1.0
193.12202	4.8
195.11647	3.5
197.13228	4.6
199.11198	1.7
199.14783	3.2
201.12607	1.3
201.16405	1.6
203.14209	1.3
209.13240	2.0
211.11398	1.6
211.13252	4.7
211.14973	2.0
213.16377	1.1
219.11664	1.0
223.11121	0.9
223.14880	2.2
225.16397	1.3
227.12752	5.7
229.29565	1.0
233.13185	1.8
233.15309	1.1
235.14761	1.3
239.17888	1.1
241.19559	1.6
247.16867	1.8
259.20569	3.4
267.15912	3.4
271.20438	1.3
275.20105	3.0
283.20578	2.8
297.22113	1.3
299.20340	1.6
299.23657	6.6
301.21600	1.8
307.20493	1.1
311.20193	1.1
325.21667	1.2
329.21011	1.1
333.24286	2.8
339.22986	1.0
357.24387	1.9
385.23727	1.4
403.24905	1.8
421.25739	5.2
423.33017	1.3
429.20856	1.0
433.31000	5.1
435.27478	4.8
451.32080	8.2
459.27322	1.2
469.33032	4.2
473.29785	1.0
525.35791	21.3
541.34924	3.1
543.36780	100.0
544.36792	3.5
555.35718	1.1
567.36505	1.3
585.37726	2.2
609.36938	1.2
633.37311	1.5
651.38470	3.2
669.39099	3.4
687.40808	6.5
705.43292	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01862	4.9
55.05511	19.9
57.03431	7.6
57.07071	2.9
60.34551	1.0
61.02923	12.0
65.03929	2.6
67.05502	34.4
69.03429	12.9
69.07063	10.5
71.04978	3.6
73.02924	5.7
79.05490	30.5
81.03410	35.3
81.07052	31.6
82.03757	2.1
82.07389	1.7
83.01374	1.3
83.04984	12.3
83.08611	14.0
85.02894	15.4
85.06528	2.4
91.03937	5.7
91.05470	28.0
92.05810	1.7
93.07037	28.9
94.07345	1.4
95.04967	11.6
95.08603	18.6
97.02893	15.1
97.06513	5.2
97.10155	11.0
99.04454	2.7
99.08090	1.5
101.02464	1.2
105.06328	1.7
105.07026	24.8
106.07352	1.8
107.04964	5.6
107.08588	17.1
109.02843	5.4
109.06500	5.3
109.10155	12.3
111.04439	4.9
111.08077	3.7
115.05466	2.3
117.07008	12.3
119.08576	22.1
121.06474	4.6
121.10112	11.1
123.08061	4.1
123.11690	3.1
125.09607	7.0
127.03915	5.0
129.05521	1.9
129.07010	11.0
130.90115	1.3
131.04837	1.5
131.08551	17.4
132.08893	1.6
133.06476	2.9
133.10118	14.5
135.08058	4.6
135.11685	7.1
137.09618	2.3
141.06960	4.5
142.07773	2.1
143.08559	10.5
145.06519	2.7
145.10110	16.6
147.08037	3.8
147.11699	12.3
149.09593	4.7
149.13231	3.5
151.11192	1.5
155.08568	5.8
157.10106	14.4
158.10400	1.7
159.08083	2.5
159.11708	12.7
161.09645	2.8
161.13225	6.0
163.11177	3.8
165.06993	1.4
167.08560	2.8
168.09363	1.4
169.10097	7.9
171.08064	3.6
171.11668	10.9
173.04471	2.5
173.09546	2.6
173.11832	1.6
173.13242	6.6
175.11162	3.4
175.14815	2.9
177.12784	1.1
181.10123	4.4
181.12222	2.8
182.10587	1.3
183.07993	1.4
183.11700	7.5
184.07245	1.7
185.09564	1.8
185.13264	3.7
187.11197	2.6
187.14810	3.4
189.11220	4.2
191.10715	2.5
193.10291	1.3
193.12259	9.0
195.11736	3.3
197.13271	5.0
199.11266	1.7
199.14879	3.6
201.12802	1.6
201.16380	1.8
205.10117	1.2
207.11699	2.3
209.13223	3.9
211.13173	7.7
211.14984	1.7
213.16386	1.7
215.14191	1.3
223.14935	1.6
227.12799	4.8
229.22005	1.5
241.19456	4.5
257.18906	2.1
259.20538	5.2
267.15915	3.5
271.20456	1.5
275.20023	3.4
277.21600	2.2
283.20392	2.1
285.17068	3.8
297.22028	2.7
299.23599	5.9
301.21585	2.8
311.20193	1.7
313.21478	1.3
315.22998	2.5
333.24191	6.2
335.26114	1.6
339.23096	1.7
343.22629	1.6
357.24362	2.1
367.23041	1.6
403.25058	1.4
421.25644	2.9
423.31702	1.2
429.21158	2.6
433.31082	3.2
435.27328	3.0
451.32147	7.2
459.26987	1.6
469.33124	4.2
472.30670	1.2
515.37439	2.1
525.35815	23.0
541.34735	1.6
542.35803	1.7
543.36774	100.0
544.36853	2.8
555.36365	1.3
561.37866	2.2
567.36542	1.8
585.37476	3.2
651.38580	4.9
669.39624	5.4
669.50281	1.3
687.40961	9.7
705.41864	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01863	3.0
55.05508	12.3
57.03434	5.6
57.07060	0.9
59.04992	1.0
61.02921	9.9
64.08030	0.6
66.93005	0.6
67.05497	18.6
69.03428	8.6
69.07066	7.0
69.48214	3.5
69.48644	1.9
71.01333	1.0
71.04982	3.5
73.02924	6.2
73.87544	0.7
75.84864	0.9
79.05489	15.4
81.03417	16.6
81.07056	16.7
83.04981	5.3
83.08622	7.4
85.02899	12.1
85.06522	1.0
89.21423	0.7
91.03954	3.5
91.05475	16.5
91.74299	0.6
93.06481	1.3
93.07042	15.4
95.04964	6.7
95.08606	10.9
96.07372	0.6
97.02882	10.2
97.06527	2.8
97.10144	6.7
99.04462	1.6
99.08064	0.9
101.02335	0.9
105.07025	14.1
107.04949	3.1
107.08588	9.6
109.02877	2.2
109.06483	2.4
109.10144	7.9
111.04443	2.3
111.08059	2.5
115.05433	1.1
117.07022	7.7
119.08585	10.2
121.06512	2.0
121.10138	6.8
123.08112	1.3
123.11732	1.8
125.09592	4.6
127.03900	2.4
128.06223	1.6
129.07005	8.0
131.08559	12.5
133.06538	1.7
133.10133	8.0
134.95845	0.8
135.08055	1.8
135.11674	3.8
137.09608	0.9
141.06993	2.0
142.07790	1.6
143.08595	5.5
145.06459	2.4
145.10114	8.3
147.08032	2.2
147.11665	6.2
149.09628	2.3
149.13196	1.2
153.06882	0.9
153.12744	1.3
155.08531	4.0
157.06473	1.1
157.10139	8.3
159.08124	2.5
159.11703	6.9
161.09682	1.0
161.13283	1.7
163.11180	2.7
167.08571	1.5
169.10101	4.7
171.08028	1.7
171.11664	5.9
173.04393	1.2
173.09613	2.6
173.11874	1.3
173.13225	4.9
175.11192	2.4
175.14877	1.4
179.08528	0.8
181.10136	2.8
181.12201	1.1
183.08093	0.9
183.11673	4.3
185.09666	2.0
185.13303	4.3
187.11154	2.4
187.14821	1.7
189.11230	2.2
189.12743	1.4
193.10263	1.0
193.12265	5.0
195.11716	3.7
197.09628	0.8
197.13258	1.6
198.14148	0.8
199.11127	1.6
199.14792	2.5
201.12788	1.8
207.11673	1.4
209.13300	2.3
211.13304	4.6
211.15015	1.5
213.12813	1.4
213.16345	0.8
215.14377	1.6
221.13388	1.3
223.14899	1.3
225.16435	0.9
227.12775	3.0
229.14296	1.9
230.34364	0.8
237.12769	0.9
241.15836	0.8
241.19443	2.5
243.15903	1.2
257.19092	1.1
259.20471	4.0
261.22095	0.9
263.17947	0.8
267.15833	1.7
268.43845	0.7
283.20511	1.4
285.16885	1.6
297.18771	1.2
297.22275	1.8
299.20578	1.2
299.23572	4.2
301.21359	1.0
309.22086	0.9
313.21664	1.5
315.23267	1.9
321.22046	1.2
324.20062	0.9
325.21622	1.3
333.24377	2.8
339.23419	1.1
349.21613	1.0
351.23386	0.9
357.24374	1.4
367.22433	1.5
385.23679	0.9
421.26065	1.2
423.32327	1.2
429.21039	0.9
433.30978	3.2
435.27524	1.2
441.26660	0.9
451.32025	7.5
469.33197	3.4
487.34146	0.9
515.37341	1.4
525.35681	15.4
541.35193	1.7
543.36786	100.0
544.37012	4.0
549.35406	0.8
555.36902	1.0
567.36945	1.3
585.37640	2.7
651.39209	3.7
669.39655	3.7
687.41003	5.8
704.44501	0.9
705.41925	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	704.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05489	0.3
56.05022	0.6
58.06348	0.3
58.06614	0.5
59.07377	0.2
60.08162	6.2
67.05491	0.8
69.07048	0.3
69.19314	1.3
69.19733	0.8
70.06581	0.2
71.07372	3.6
79.05496	0.6
79.62284	0.2
81.07056	0.6
83.08596	0.2
86.09702	35.2
91.05472	0.6
93.07044	0.6
95.04996	0.2
95.08601	0.7
98.98459	3.1
104.10741	3.2
105.07012	0.5
107.08600	0.4
117.07026	0.2
119.08539	0.3
124.99997	21.9
126.00406	0.3
126.01305	0.2
129.06976	0.2
131.08604	0.2
133.10150	0.3
135.11742	0.2
143.01057	0.4
145.10172	0.3
163.11165	0.2
184.07332	100.0
185.07721	0.6
330.17343	0.2
496.34354	0.2
521.37897	0.3
590.43494	0.2
704.44934	11.9
705.44446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.63548	0.3
54.80202	0.3
55.01876	2.4
55.05494	0.6
62.25907	0.3
65.03941	2.6
67.05505	2.6
68.99769	1.1
69.03408	0.9
70.95664	0.5
70.95995	0.7
77.03914	0.6
79.05487	4.6
81.03391	1.6
81.07034	0.8
82.04205	0.8
83.04988	0.7
83.08587	0.5
85.02915	2.5
91.05479	2.6
93.03410	0.8
93.07030	0.8
95.04960	4.5
95.08563	0.5
97.02881	1.4
97.06527	1.0
103.05448	0.5
105.03389	1.4
105.07021	2.4
107.04955	12.6
107.08636	0.6
109.02881	1.5
109.06550	0.4
109.10117	0.5
110.03616	0.6
111.04433	1.8
115.05424	0.7
117.06999	0.9
119.04942	4.7
119.08603	0.5
121.02869	0.9
121.10125	0.4
123.04424	36.4
124.05260	1.6
125.05993	2.2
127.03924	1.5
131.04915	1.1
133.06487	2.5
135.04419	3.4
137.02312	1.1
137.05952	1.8
138.03104	0.5
139.03896	13.8
139.07504	0.4
140.04672	0.3
141.06970	0.4
142.02568	0.7
143.04906	0.9
144.05670	0.4
145.06456	1.9
147.04398	17.6
147.11685	0.4
149.05954	0.6
151.03894	100.0
152.04506	1.3
153.05460	2.6
155.07071	0.4
161.05978	6.0
163.03918	5.9
165.05476	6.8
165.06754	0.7
167.07031	20.5
169.06500	0.6
171.06548	2.0
173.05992	4.5
175.03905	1.0
175.07520	0.8
177.05409	1.0
179.03386	0.6
179.07013	1.4
181.04945	42.0
182.05296	0.5
183.06534	0.9
183.08020	0.5
187.07521	0.7
189.05446	1.8
193.04964	4.5
193.08580	4.9
197.06065	0.8
199.07552	0.6
200.46339	0.3
201.05449	3.3
205.08582	2.9
206.05688	0.6
207.06451	3.0
207.07828	0.3
211.07614	0.8
215.07039	1.0
217.05019	0.4
217.08577	1.2
219.06444	0.6
221.05931	0.7
221.08070	10.7
225.05499	0.5
226.14958	0.4
233.08084	3.7
235.07477	0.5
239.07109	0.6
242.05492	0.5
243.06503	1.0
249.07523	4.4
261.07599	0.8
267.06543	0.7
285.07474	2.8
303.08618	67.0
304.08917	1.5
313.10861	0.4
319.06253	0.4
372.11917	0.4
387.14383	16.0
390.15143	0.3
403.13861	55.2
404.14478	1.6
415.13861	22.7
461.06281	0.4
705.35400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01859	6.7
55.05508	40.3
57.03202	1.5
57.03435	23.3
57.07064	2.1
59.04980	3.8
61.02914	9.6
65.03899	2.6
67.05502	59.6
69.03426	13.1
69.07062	20.6
71.04985	8.6
71.35062	3.2
71.87064	1.4
73.02894	2.3
79.05022	1.5
79.05488	58.2
81.03414	88.8
81.07051	63.5
81.41583	1.3
83.04977	25.3
83.08617	31.9
85.02902	32.5
85.06528	2.6
91.03934	3.4
91.05475	52.7
93.07037	41.5
93.07632	2.0
95.04385	3.0
95.04963	45.5
95.08604	22.2
97.02883	8.2
97.06533	7.3
97.10157	18.8
99.04406	2.5
99.08071	2.4
103.05435	3.0
105.07023	36.5
105.24657	1.8
107.04956	21.5
107.08582	26.6
109.02874	4.7
109.06515	8.8
109.10143	15.6
111.04453	5.0
111.08078	13.6
113.06042	2.8
115.05459	2.8
117.07013	13.4
119.04897	1.9
119.08574	27.9
121.06509	9.2
121.10130	19.2
123.04417	2.7
123.08044	5.6
123.11696	4.2
124.62309	1.4
125.06003	2.2
125.09627	13.2
127.03848	2.7
128.06187	2.9
129.06993	13.6
131.04866	2.3
131.08565	26.2
133.06483	4.2
133.10130	18.4
135.08040	5.5
135.11681	4.3
137.05956	3.9
137.09572	4.9
139.03990	1.6
141.06912	2.8
142.07771	4.3
143.08534	3.5
145.06503	2.9
145.10117	9.2
147.08002	5.2
147.11674	22.7
149.09596	7.7
149.13210	3.3
151.11189	2.0
157.10115	16.2
159.08006	1.9
159.11699	10.4
161.09604	3.0
163.11148	2.0
165.12766	6.1
169.10123	3.0
173.11717	3.4
175.11169	16.4
177.12706	5.3
184.07454	1.6
187.11122	5.7
189.11235	12.5
193.12231	60.5
195.13768	2.0
205.12242	8.4
211.13278	100.0
213.14758	1.7
223.13275	64.9
227.12730	13.2
229.14310	12.5
249.14801	1.7
267.15906	41.4
267.18668	3.3
279.15912	9.3
281.17517	1.9
285.16959	62.3
297.16962	67.6
421.25702	4.9
439.26846	17.0
443.28049	1.7
461.29321	1.9
470.22290	1.7
471.27371	5.5
480.03989	1.5
489.28439	38.0
507.29501	87.4
659.17682	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	704.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.7
55.01867	8.1
55.05278	2.9
55.05515	41.3
57.03193	2.7
57.03437	29.0
57.07077	2.3
59.04980	3.7
60.05653	3.0
60.27990	2.4
61.02910	7.9
65.03938	6.3
67.05505	89.8
69.03429	18.0
69.07072	29.2
71.04971	8.7
71.51686	3.8
72.15864	1.8
72.41754	1.7
73.02887	3.7
77.03909	2.6
77.56634	1.9
79.05492	68.5
81.03419	100.0
81.07057	82.1
81.07538	4.7
83.04977	32.4
83.08622	32.7
85.02902	39.8
85.06548	4.5
91.03944	2.8
91.05484	72.6
93.07043	57.9
93.07631	2.8
94.04188	2.4
95.02533	2.4
95.04971	62.4
95.08080	2.5
95.08615	33.2
97.02898	10.2
97.06533	11.3
97.10158	24.9
99.04430	2.5
101.73129	2.1
103.05450	4.7
105.07033	45.5
107.04951	31.5
107.08598	34.3
109.02884	3.4
109.06516	13.5
109.10143	19.1
111.04430	2.8
111.08083	16.5
115.05428	3.9
117.07009	22.2
119.08576	36.8
121.06485	11.2
121.10159	18.8
123.08075	7.7
123.11672	4.1
125.09632	15.5
127.03884	4.0
127.07578	2.1
129.07013	15.8
131.04904	4.0
131.08568	26.3
133.06537	4.6
133.10146	22.4
135.08028	6.1
135.11658	8.0
137.09653	4.4
140.91624	2.1
141.06960	3.2
142.07787	4.2
143.08530	3.9
144.86182	2.0
145.10120	13.0
147.04353	2.0
147.08002	4.9
147.11682	24.8
149.09613	8.7
149.13278	5.4
151.11197	2.8
153.09108	3.2
157.10138	23.1
159.08112	3.0
159.11684	13.8
161.09618	2.9
163.11214	4.2
165.12764	5.4
169.10091	4.0
173.11792	2.8
173.99248	2.4
175.11185	18.3
177.12761	5.7
183.11670	3.7
184.07339	5.4
187.11163	5.9
189.11230	12.1
189.88553	2.1
193.12251	56.8
205.12271	6.4
211.13295	80.0
223.13303	79.4
227.12689	12.6
229.14336	12.6
267.15921	30.8
279.15881	6.9
285.16959	54.0
285.19385	1.5
297.16959	87.4
298.17490	2.3
421.25864	4.2
439.26959	13.7
471.27457	5.1
477.31549	2.4
489.28433	32.0
507.29590	83.0
508.29794	2.2
542.35870	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	704.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.01876	18.6
55.05508	40.2
57.03438	23.3
57.07074	5.0
61.02920	5.5
65.03915	1.7
66.67577	1.8
67.05502	76.2
69.03427	12.2
69.07068	20.1
70.41301	7.0
71.04983	6.6
73.02933	9.2
77.03894	2.0
79.05490	100.0
80.05833	3.1
81.03416	40.3
81.07053	65.5
82.03748	2.3
82.04196	4.9
83.04971	31.2
83.08617	16.3
85.02899	6.5
85.06533	4.9
86.09699	8.1
89.56853	1.4
91.05476	80.7
93.07040	90.8
95.04965	41.4
95.08602	36.2
97.02889	10.2
97.06544	14.3
97.10184	13.5
98.07322	6.0
99.04468	3.7
99.08057	1.7
103.05481	3.0
105.04512	2.7
105.06320	3.3
105.07022	56.1
105.07697	3.9
106.07359	2.5
107.04948	26.1
107.08585	31.8
109.02898	2.1
109.06526	13.0
109.10151	16.6
111.04441	3.8
111.08054	8.8
115.05460	4.1
115.07505	1.9
116.04704	11.6
116.84856	1.9
117.07027	17.2
119.08577	43.9
120.66600	1.6
121.06502	11.3
121.10149	12.3
123.04450	2.1
123.08065	13.0
123.11725	2.8
125.00034	4.6
125.09620	14.5
127.03884	3.1
127.07571	2.6
128.06200	2.8
129.05481	32.9
129.06981	22.4
130.07256	1.9
131.04893	3.9
131.08565	13.1
133.06503	5.1
133.10138	20.2
135.08075	5.9
135.11697	7.9
137.05977	2.0
137.09633	4.6
141.09138	2.0
143.07036	6.8
143.08578	11.3
145.06499	4.0
145.10117	18.4
147.08046	5.5
147.11674	46.2
149.09616	5.0
153.12730	3.2
155.08563	2.9
157.08617	12.0
157.10033	3.7
159.08109	2.3
159.11687	3.9
161.09615	5.3
161.13271	13.1
163.11177	11.9
169.10139	2.0
171.10139	5.0
171.11639	30.1
173.09674	3.1
175.11198	4.9
179.14398	2.1
181.12247	3.6
184.07327	28.6
187.11273	2.1
189.11238	8.0
189.12738	10.0
191.10660	4.0
193.12253	6.0
199.13280	7.7
207.13803	26.1
209.11697	2.8
211.13312	5.5
227.12773	13.0
229.14330	2.9
263.77463	1.8
265.14435	2.3
267.15903	7.6
275.20074	4.7
276.20544	4.5
281.17450	53.8
283.15436	7.6
300.35214	1.8
301.16428	50.3
314.03998	1.8
335.18253	3.4
350.23526	2.0
359.84216	1.7
435.27322	8.3
461.29123	2.2
472.28244	2.7
473.28729	5.9
489.28577	7.7
490.29065	4.3
507.29517	79.4
508.29318	2.2
541.34259	2.3
542.35510	4.8
686.38739	3.2
704.40729	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	703.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.6
55.01857	10.3
55.05511	32.8
56.35353	4.1
57.03426	21.8
59.05009	4.3
67.04919	3.8
67.05507	97.2
69.03423	27.1
69.07085	22.0
69.34175	37.6
79.05492	94.5
81.03424	48.9
81.07053	100.0
83.04966	15.5
83.08588	13.1
85.02894	17.0
86.09701	5.6
91.05477	77.4
93.07044	85.3
95.04959	31.8
95.08608	70.3
97.02893	10.3
97.06532	10.0
97.10121	9.4
99.04454	10.8
101.02367	4.6
103.05476	5.8
105.07020	52.5
107.04930	8.4
107.08577	31.2
109.02868	9.3
109.06503	6.9
109.10134	23.7
113.00005	21.2
117.07017	31.7
119.08569	31.8
121.06475	5.5
121.10126	28.9
123.08027	6.3
127.03885	9.4
128.06226	7.7
129.07024	23.4
131.08553	31.6
133.06506	8.9
133.10126	21.3
135.11694	16.7
135.31418	4.4
136.49481	4.2
143.08527	20.8
145.10127	20.1
147.11714	29.4
149.13271	8.1
155.08569	12.3
156.09323	4.6
157.06544	4.7
157.10124	8.5
159.11670	11.5
161.09607	4.8
161.13190	9.1
167.08539	7.6
169.10086	10.2
171.11662	23.7
173.04498	8.7
173.13266	13.7
175.14853	5.9
181.10132	5.8
183.11635	8.5
184.07314	10.1
185.13239	8.6
187.14796	5.6
195.11713	7.9
197.13245	9.8
207.11725	6.4
207.13805	18.8
259.16891	9.1
261.22113	9.7
269.15439	6.3
281.17520	19.4
287.16281	10.8
307.46420	5.4
335.22073	6.8
335.25833	66.1
361.20377	5.8
425.21521	10.3
541.38867	55.1
549.08612	5.7
591.43781	32.9
609.77130	5.2
703.43597	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70257	2.4
52.60471	2.5
53.03938	12.2
55.01868	6.4
55.05507	34.9
57.03430	10.7
57.07077	6.2
58.55881	2.2
61.02924	13.2
65.03929	4.2
65.39030	2.5
67.05498	72.3
68.05843	2.5
68.10057	2.2
69.03425	28.1
69.07069	21.2
71.01353	4.3
71.04988	6.0
71.08614	3.1
71.52325	3.4
73.02908	10.2
79.05485	67.3
81.03415	45.9
81.07047	76.7
83.04955	18.7
83.08611	20.5
85.02895	23.2
85.06549	3.3
85.10153	2.5
87.04457	3.7
89.06008	3.4
91.03934	5.2
91.05473	56.7
93.07037	64.8
95.04958	25.6
95.08601	44.2
95.20836	2.4
97.02873	17.7
97.06516	5.8
97.10155	8.9
99.04435	6.3
99.08084	3.6
103.05496	3.1
105.07022	46.2
107.04955	5.1
107.08592	33.9
109.02857	8.7
109.06504	7.6
109.10148	19.7
111.08073	4.9
113.74271	2.3
115.05383	2.9
117.07024	29.6
119.08572	31.9
120.08866	2.6
121.06482	5.5
121.10129	16.8
123.08056	6.8
123.26097	2.3
125.09615	4.7
127.03878	7.5
128.06203	6.3
129.05481	7.3
129.06981	24.6
131.08557	38.0
133.06479	5.3
133.10118	20.6
135.11699	14.6
135.12602	2.4
137.09608	6.0
137.13300	5.3
141.06978	10.5
142.07817	5.1
143.08565	25.1
145.06448	5.7
145.10127	28.3
145.13690	2.4
147.08035	6.8
147.11682	21.0
149.09555	5.2
149.13234	6.2
151.11163	2.5
155.08533	15.4
157.10112	14.6
159.08073	4.6
159.11697	12.2
161.13219	10.4
163.11198	2.8
163.14851	4.9
167.08580	10.1
169.10147	16.4
171.08083	3.0
171.11644	16.9
171.99962	2.5
173.04425	11.0
173.13266	7.4
175.14857	2.6
181.10158	8.8
183.11691	10.4
184.07301	6.0
185.13272	11.8
187.11180	4.2
187.14752	5.3
189.12738	5.2
189.16399	3.6
193.10033	2.9
193.12167	2.4
195.11642	9.0
197.13205	8.2
199.14824	10.0
201.16315	3.2
207.11755	3.9
207.13812	9.1
209.13240	5.9
211.14771	6.0
213.16331	4.9
215.14404	3.2
221.13295	4.1
223.14868	2.9
225.16376	5.7
227.17992	3.8
227.20033	23.0
228.20399	11.4
235.14824	3.6
237.16451	4.6
239.18016	2.9
241.19582	3.8
261.22079	6.0
273.18564	4.9
273.21951	3.7
279.15854	4.2
281.17303	11.7
287.16556	3.5
317.83258	2.5
335.25821	5.1
339.23157	3.2
369.24292	4.3
431.32733	3.2
443.27960	4.3
449.33997	10.8
467.35159	3.0
485.36249	3.5
515.36737	2.9
523.37732	7.7
527.37195	5.5
539.37372	4.5
541.38940	100.0
542.39288	4.9
559.39746	5.0
565.38965	3.1
583.40033	4.4
631.40076	3.0
649.40643	8.4
667.41302	4.7
685.41956	8.8
703.44104	40.6
730.69678	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	703.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01874	11.5
55.05510	32.7
57.03434	12.8
57.07066	2.8
59.45230	1.2
61.02925	9.7
62.95376	1.2
65.03943	4.1
67.05502	53.6
69.03429	21.6
69.07066	17.4
69.37067	10.5
69.37478	1.9
71.01373	1.7
71.05008	8.5
71.08601	1.8
73.02918	7.8
79.05492	43.6
81.03418	49.8
81.06594	2.6
81.07056	45.0
83.04974	14.4
83.08614	16.4
85.02901	18.0
85.06535	4.7
87.04426	1.5
91.03934	4.3
91.05478	44.6
92.25449	1.2
93.07044	38.6
95.04963	18.4
95.08607	23.9
97.02897	17.5
97.06515	7.9
97.10158	13.0
99.04447	8.3
99.08099	3.3
101.02378	1.5
103.03951	2.6
103.05466	2.8
105.07036	34.8
107.04952	13.1
107.08587	24.5
109.02876	8.7
109.06526	10.7
109.10142	14.3
111.04440	7.1
111.08086	5.0
113.05968	3.1
115.05451	5.1
117.07020	17.6
119.04934	2.2
119.08582	26.5
121.06507	5.6
121.10144	10.1
123.04391	1.7
123.08073	7.3
123.11681	4.3
125.05949	2.1
125.09621	14.6
127.03912	10.0
128.06239	4.0
129.05518	1.8
129.06999	19.4
131.04926	2.6
131.08574	24.7
133.06488	3.7
133.10117	17.7
135.08064	9.0
135.11688	10.5
137.05980	2.1
137.09630	2.1
141.06972	6.3
142.07788	3.0
143.08574	15.5
144.23569	1.2
145.06468	5.8
145.10123	20.5
147.04407	1.7
147.08055	5.6
147.11682	12.7
149.09618	5.5
149.13266	4.1
151.11198	3.1
153.06956	2.7
153.12723	2.9
154.07756	3.0
155.03342	1.5
155.08536	13.0
156.09276	2.3
157.06468	2.6
157.10139	15.5
159.08080	6.0
159.11678	14.3
161.09608	4.9
161.13293	4.2
163.07492	1.8
163.11165	9.8
165.06979	3.3
165.09105	2.4
167.08549	6.8
168.09331	1.7
169.10095	12.3
171.08015	3.5
171.11682	12.7
173.04482	16.5
173.09639	5.1
173.13187	6.9
175.11166	3.8
177.12723	1.5
179.08530	2.4
179.14352	2.0
180.09341	2.5
181.10126	7.3
181.12199	2.7
183.08089	4.0
183.11685	9.4
184.07378	4.8
185.09653	4.0
185.13287	6.8
187.11212	3.2
187.14850	4.0
189.09444	1.5
189.11191	7.2
189.12704	2.1
191.10526	2.4
193.10159	4.7
193.12224	3.9
195.08070	1.7
195.11734	5.7
197.09642	3.3
197.13243	6.2
199.11241	3.8
199.14821	4.3
201.12839	2.1
207.11673	4.1
208.89008	1.5
209.13269	4.8
211.11177	3.0
211.13110	2.7
211.14857	3.9
213.12790	2.6
213.16417	2.1
215.14383	1.4
217.15997	1.5
221.13274	4.6
223.14836	3.3
225.12936	2.1
227.12691	11.6
235.14896	1.8
237.16611	2.9
239.14240	1.9
239.17970	2.5
251.17902	1.5
254.17551	4.2
255.17691	3.6
257.19028	3.7
259.20575	4.2
267.15793	2.0
271.20392	1.5
273.15219	1.4
273.18542	4.4
275.20053	10.5
283.15469	3.4
285.22241	1.5
291.19501	10.4
295.20584	1.8
297.22171	9.5
299.20154	3.0
301.21286	1.8
311.20044	2.1
313.21606	2.5
315.23065	1.7
320.25787	1.5
321.26035	3.8
325.21439	2.0
333.24100	1.8
365.65088	1.5
367.22641	3.0
385.23755	2.8
403.24792	1.7
421.30774	2.0
431.29355	3.2
449.30380	8.1
467.31458	5.4
475.30591	1.7
485.32471	2.4
513.35522	2.7
523.34155	13.0
539.32581	2.7
541.35291	100.0
542.35590	7.2
559.35754	5.1
562.38434	2.3
565.35168	1.4
583.36578	2.4
621.37933	2.1
631.36401	1.7
649.36884	3.2
667.37830	5.7
685.39545	10.0
703.40466	41.0
704.40723	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03943	12.9
53.04483	1.2
54.64508	1.1
55.01870	19.0
55.05510	35.4
57.03435	14.5
57.07068	2.9
58.71202	1.4
59.04995	1.9
61.02908	1.7
65.03938	4.9
67.05502	69.6
69.03427	24.7
69.07068	37.3
69.53214	10.1
70.07415	1.1
71.01346	2.8
71.04994	10.0
73.02898	2.0
79.05015	2.2
79.05488	64.9
81.03414	97.5
81.07053	78.3
83.04978	28.4
83.08618	22.5
85.02903	17.8
85.06538	5.6
91.05477	86.7
93.07041	55.1
93.07641	1.6
95.01315	8.5
95.04963	35.9
95.08604	40.2
97.02890	25.0
97.06528	26.6
97.10160	10.8
99.04470	8.4
99.08095	3.1
103.05469	4.0
105.04533	2.0
105.07025	88.9
107.04948	27.9
107.08587	34.0
109.02867	15.6
109.06517	9.8
109.10139	16.8
111.04448	15.0
111.08080	11.8
113.09647	2.2
115.05436	5.1
117.07013	27.7
119.08581	58.6
120.08894	1.4
121.06505	9.1
121.10140	20.5
123.04431	3.8
123.08062	8.5
123.11709	5.3
125.09641	9.5
127.03919	13.5
128.06216	5.1
129.05505	2.0
129.06999	18.6
130.07800	2.4
131.04904	3.2
131.08554	38.7
133.06487	6.2
133.10127	43.9
135.08051	8.0
135.11694	14.3
137.09630	4.4
139.07603	2.0
141.07002	5.7
142.07799	5.2
143.08536	12.9
145.06514	8.1
145.10118	26.9
147.04419	1.7
147.08067	5.4
147.11671	26.8
149.02344	2.2
149.05952	1.4
149.09624	15.1
149.13271	4.8
151.07567	2.2
151.11188	3.7
153.12729	2.5
155.08540	8.4
157.06528	2.0
157.10117	16.3
157.11128	1.3
159.08090	4.6
159.11685	18.5
161.09616	5.1
161.13272	7.6
163.11177	12.0
165.09100	2.6
165.12770	5.8
167.08589	3.3
169.10048	9.7
171.08058	2.5
171.11716	8.7
173.04486	6.5
173.05855	1.8
173.09657	4.8
173.11856	2.4
173.13182	8.1
175.09731	2.1
175.11145	10.6
177.12785	4.2
179.08673	2.1
179.10707	1.6
179.14287	13.4
181.10173	2.9
181.12219	4.0
183.06531	2.2
183.08047	2.4
183.11693	6.6
185.09616	2.0
185.13295	5.1
187.11194	5.6
187.14806	1.3
189.11211	2.7
189.12744	3.0
191.10748	4.4
193.05139	2.1
193.12230	27.8
195.11734	4.7
195.13736	1.6
197.09637	2.6
197.13228	6.3
199.11279	2.9
199.14954	2.0
201.12845	2.7
203.10852	2.1
205.12276	2.1
207.11761	1.5
209.13348	1.8
211.11267	1.7
211.13248	32.6
213.16298	1.5
215.14375	1.6
219.17401	1.8
221.13420	1.7
227.12680	7.5
229.19557	3.2
239.18018	2.9
245.19206	1.5
247.20662	3.0
256.26340	1.9
257.19022	11.6
257.26666	1.4
267.15796	7.4
273.14917	2.2
273.18515	2.9
275.20056	100.0
276.20508	5.2
283.15744	2.4
285.17050	3.7
287.16486	1.5
293.21054	7.9
294.07214	1.5
297.22250	1.7
301.14243	2.5
311.19955	1.5
313.21829	2.9
319.15530	2.2
327.19458	1.3
331.22751	3.6
337.16632	2.2
349.23810	11.0
355.17532	8.4
365.20975	1.7
377.23495	1.7
383.22034	2.0
411.20120	8.0
419.24310	1.8
431.29282	1.6
449.30441	3.3
457.26074	1.8
461.29010	4.5
467.31531	2.3
513.35754	1.7
523.34314	4.5
541.35339	30.8
542.35626	2.2
559.36292	8.2
583.35980	1.6
637.37524	1.9
667.38245	3.7
685.39673	8.2
703.40405	82.1
704.40283	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03935	5.1
55.01873	6.7
55.05509	23.5
57.03434	8.7
57.07068	1.3
59.04996	1.8
61.02922	9.9
65.03941	2.1
67.05502	28.4
69.03423	15.2
69.07067	9.8
69.81779	0.8
70.81043	0.8
70.97279	0.7
71.01339	1.7
71.04990	4.3
73.02922	5.4
79.05487	27.0
81.02938	1.4
81.03417	27.8
81.07053	25.0
83.04979	8.3
83.08613	13.3
85.02900	10.8
85.06540	2.1
91.03939	4.8
91.05475	19.8
93.07037	18.9
95.04961	8.4
95.08606	12.8
97.02883	11.9
97.06523	4.5
97.10166	12.6
98.21523	2.0
99.04456	3.3
99.08127	1.2
101.02352	1.7
103.05453	1.0
105.07025	19.0
107.04953	4.9
107.08585	12.8
109.02866	4.2
109.06534	6.3
109.10143	6.8
111.04449	4.4
111.08081	3.0
113.06062	1.2
113.49136	0.8
115.05445	2.1
117.07008	12.7
119.08582	13.3
121.06506	3.0
121.10114	5.5
123.08070	3.1
123.11707	2.1
125.09616	9.8
127.03944	5.1
128.06224	3.4
129.06995	12.3
130.07820	1.1
131.08566	15.6
133.06540	1.6
133.10135	8.5
135.08049	5.5
135.11674	6.0
137.05957	1.4
137.09605	1.3
141.07010	6.6
142.07787	3.5
143.08553	12.4
145.06528	2.9
145.10107	14.4
147.08051	2.4
147.11685	6.3
149.09636	2.8
149.13298	1.8
153.06952	1.0
153.09111	1.5
153.12767	2.9
154.07776	1.2
155.08569	8.1
156.09372	0.9
157.06439	1.5
157.10127	10.7
159.08072	2.4
159.11673	9.4
161.09691	1.8
161.13318	2.3
163.11145	4.3
165.07025	2.3
167.08577	4.2
168.09372	1.5
169.06425	1.2
169.10120	10.5
170.10759	1.1
171.08078	2.6
171.10298	1.8
171.11673	10.6
173.04448	8.4
173.09639	3.0
173.11932	0.8
173.13287	3.7
175.11200	1.9
175.14804	1.2
179.08569	3.2
179.14305	0.8
180.09267	0.9
181.10085	4.5
181.12280	1.9
183.08115	1.3
183.11678	7.4
185.09639	2.7
185.13266	5.4
187.11169	2.7
187.14836	2.5
189.11238	6.1
189.12671	1.2
191.08580	0.9
191.10594	1.2
191.14330	0.9
192.09332	0.9
193.10129	2.5
193.12254	1.7
195.11690	5.8
197.09607	2.1
197.13260	4.5
199.11188	3.0
199.14819	3.5
201.12758	1.8
205.10059	1.2
207.11705	3.0
208.60231	0.8
209.09671	1.5
209.13266	3.4
211.11223	2.4
211.14803	2.2
213.12726	1.5
213.16383	1.3
219.11771	1.3
221.13225	3.1
223.11162	1.0
223.14825	2.5
225.12836	1.5
225.16322	1.4
227.12685	9.4
233.15266	0.9
235.14816	1.6
237.12828	1.6
242.20447	0.9
255.17213	0.9
257.19037	2.4
259.20587	1.7
273.18759	2.0
275.20145	4.3
279.21283	1.4
281.19055	1.6
283.15475	3.0
291.19522	3.5
297.22092	7.6
299.20227	1.4
315.23190	1.2
325.21497	1.4
337.21701	1.4
339.22989	1.2
341.21341	1.1
355.22769	0.9
367.22571	1.3
421.31088	1.4
431.29456	4.0
449.30429	6.8
467.31479	5.1
485.32614	2.5
513.35614	2.9
521.31909	1.1
523.34204	10.9
529.34851	1.0
531.36176	2.1
539.33484	1.9
541.35223	100.0
542.35675	7.8
559.36011	3.1
565.35162	1.8
583.36133	3.6
607.36407	1.3
649.37073	1.7
667.37994	2.3
685.39154	5.3
703.40472	24.6
704.40564	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	702.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05032	0.7
57.07084	0.2
58.06616	0.6
59.06075	0.1
59.07393	0.1
60.08162	6.3
67.05499	0.2
68.13239	0.1
69.16753	0.8
69.50087	0.1
69.86826	0.1
70.06568	0.1
71.07371	3.1
71.08596	0.1
77.01343	0.1
79.05480	0.1
81.07047	0.3
83.08627	0.1
86.09703	30.6
87.10052	0.3
91.05471	0.2
93.07036	0.2
95.08605	0.2
96.84980	0.1
98.98460	2.9
104.10740	2.8
107.08623	0.1
116.99497	0.1
124.99998	20.3
126.00392	0.1
143.01068	0.4
147.11705	0.1
150.39572	0.1
166.02657	0.3
176.31157	0.1
184.07335	100.0
185.07703	1.2
250.70436	0.1
269.17450	0.2
277.43481	0.1
311.25824	0.1
446.23080	0.1
464.24564	0.1
496.33978	0.3
505.38742	0.2
552.74274	0.1
702.47076	6.0
703.47076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.8
53.03942	12.9
55.01867	11.1
55.05507	35.4
57.03193	1.9
57.03436	19.3
57.07069	3.6
61.02917	18.4
65.03931	5.5
67.05499	91.9
68.85329	1.9
69.03423	41.4
69.07059	30.6
71.01339	3.6
71.04977	13.5
73.02909	13.5
77.03913	2.0
79.05486	85.2
81.02930	3.1
81.03412	73.4
81.07049	81.6
83.04972	23.7
83.08606	17.1
85.02898	24.1
85.06530	3.8
87.04436	2.4
91.03947	7.6
91.05472	81.0
93.07036	76.7
95.01319	1.9
95.04958	21.7
95.08596	49.1
97.02884	30.2
97.06540	8.1
97.10148	9.3
98.21500	5.3
99.04449	11.6
103.03946	2.2
103.05460	4.5
105.04514	2.2
105.07024	64.8
107.04945	16.6
107.08582	37.1
108.08938	1.6
109.02866	14.6
109.06521	9.9
109.10143	18.2
111.04442	5.7
111.08101	5.4
113.02347	1.6
115.03894	1.8
115.05452	7.3
116.06240	1.6
117.06225	0.9
117.07004	37.8
119.04936	4.4
119.08572	45.4
121.06438	8.0
121.10135	18.9
123.04410	2.0
123.08067	7.6
123.11713	4.7
125.09594	3.3
127.03898	15.8
128.06200	13.3
129.05505	9.3
129.06990	40.5
130.07802	2.5
131.03468	1.7
131.04973	2.9
131.08553	44.9
132.08897	2.0
133.06505	5.6
133.10117	26.2
135.08058	6.1
135.11667	11.7
137.09642	6.6
141.06966	17.7
142.07788	6.2
143.08553	36.1
144.09253	2.3
145.06499	7.3
145.10117	37.0
147.04434	1.8
147.08092	6.5
147.11665	27.4
149.02310	1.8
149.09619	3.0
149.13261	6.9
151.11166	2.5
153.06952	4.6
153.09128	1.8
154.07759	4.0
155.08534	30.1
156.09294	2.5
157.06526	3.2
157.10126	33.3
157.11342	3.2
159.08101	6.5
159.11681	22.8
161.09644	4.5
161.13263	9.3
163.11147	2.3
163.14777	2.0
165.07048	7.0
166.07777	3.8
167.08563	17.7
168.09300	4.3
169.10114	29.7
170.10786	1.9
171.08063	4.6
171.11655	31.7
173.04449	27.8
173.05847	2.2
173.09634	6.1
173.13223	11.6
175.11142	2.4
175.14868	3.6
177.12738	3.1
178.07724	1.5
179.07179	1.8
179.08539	8.0
180.09349	3.0
181.10115	21.4
182.10860	3.3
183.08144	2.9
183.11676	24.7
185.09657	5.4
185.13229	11.5
187.11208	4.9
187.14824	4.8
189.12709	7.6
189.16365	1.9
191.08580	3.8
192.09399	3.3
193.10123	9.6
194.10916	2.6
195.11656	21.3
195.13443	1.7
196.12477	2.5
197.09599	1.9
197.13214	18.1
199.05977	3.9
199.11232	3.6
199.14850	9.2
201.12799	2.9
203.10454	1.8
205.10191	4.5
205.12140	1.8
206.10970	1.7
207.11754	10.4
207.13821	9.4
209.09615	2.2
209.13254	14.5
210.13902	2.0
211.11238	2.4
211.14870	9.4
213.12772	3.5
213.16508	2.9
217.10152	1.7
219.11728	5.9
220.12465	1.8
221.13411	8.4
221.15199	1.9
223.11316	2.1
223.14819	10.1
225.12892	2.8
225.16423	5.0
229.82266	1.5
231.11731	2.0
231.34372	1.7
233.13280	4.0
233.15437	2.0
235.14841	5.9
237.12766	2.2
237.16434	5.4
239.17953	2.4
241.19505	4.1
244.12650	1.8
247.14923	3.5
249.16496	3.5
251.18082	3.1
255.17424	1.8
257.19235	3.2
259.20676	8.3
261.16422	3.5
263.18179	1.7
271.20633	2.5
277.19351	1.8
279.16006	4.8
279.64478	1.6
281.17361	17.3
283.20450	2.9
287.16699	1.9
293.19006	1.8
295.20563	3.7
297.22205	1.7
299.20142	2.4
301.21857	2.0
303.20911	2.4
307.20499	3.2
309.22012	1.6
311.20154	2.4
313.21753	3.1
315.23267	2.1
321.22089	4.3
323.23721	4.2
325.21561	4.1
333.24225	5.4
337.21640	2.1
337.25488	2.1
339.23163	2.8
343.23117	2.0
349.21582	4.5
351.23431	3.8
353.24652	2.7
365.24701	2.4
367.22839	4.1
379.26538	2.4
403.24921	2.1
429.31607	4.2
437.34769	1.7
441.26147	2.6
447.32605	17.6
449.33713	2.1
465.33905	10.0
477.28217	2.1
483.34674	5.1
511.37674	3.7
513.35211	3.2
515.38110	1.9
521.36377	9.4
527.36188	2.1
529.38904	5.0
537.35522	4.5
539.37317	94.1
540.37927	5.8
541.39014	3.4
555.35437	2.3
557.38519	11.6
563.37573	3.5
573.35553	2.4
581.38452	4.3
591.36365	2.4
619.39832	2.5
623.39844	2.0
629.38434	2.7
635.39801	2.0
637.41125	2.4
647.39008	8.0
665.40491	9.4
683.41486	14.8
701.42462	100.0
702.42365	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	701.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.7
55.05449	1.2
57.03384	0.7
67.05460	1.4
69.07018	1.0
71.50839	1.3
73.71288	0.7
79.05424	1.0
81.03364	1.1
81.06976	2.5
81.36719	0.6
85.02847	0.9
85.06469	1.0
91.05395	0.9
93.06934	1.9
95.04929	0.8
95.08512	2.3
97.02816	1.0
107.08517	1.9
107.46524	0.7
109.02831	1.3
109.10064	1.4
119.08511	0.8
120.59908	0.6
121.10059	1.4
123.04324	0.9
123.47676	0.7
127.03829	1.0
137.05988	3.2
147.04301	1.1
148.03700	4.7
153.01814	0.8
161.04456	1.1
162.05191	1.7
163.03876	1.4
167.07002	1.2
175.03842	1.2
175.07431	1.2
177.05412	1.3
179.05539	16.0
180.06180	2.6
181.74733	0.8
183.06870	1.1
188.06805	3.8
207.06421	0.9
235.12265	2.3
249.13557	1.0
279.11005	0.8
281.12488	0.9
285.11859	2.0
289.09491	1.8
293.12720	1.5
297.12512	0.7
302.10129	0.7
303.10971	1.9
304.11740	1.2
305.12643	0.8
311.13718	0.8
315.11060	2.2
316.11777	1.6
319.04349	1.4
320.11325	1.3
321.12125	8.6
327.13049	3.7
333.11807	0.8
345.14166	6.8
347.09775	1.6
348.10788	3.6
349.11502	1.9
359.09940	6.0
360.10760	3.1
361.11246	1.2
379.12473	1.5
382.09186	0.7
382.18924	1.3
410.18323	2.6
424.19989	1.2
428.19666	0.9
440.19528	1.2
442.21207	0.9
454.17337	1.8
468.19141	4.2
472.18469	4.9
484.17929	1.5
485.18958	1.7
486.19977	6.6
503.16446	0.8
512.17871	5.4
513.18884	5.0
529.09631	0.8
544.12396	0.9
544.20422	2.5
609.23206	0.8
625.26422	5.1
669.25275	96.9
670.25647	3.5
701.27893	100.0
702.27979	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54348	0.7
55.01863	0.8
55.05492	1.1
61.02921	0.9
66.55043	0.8
67.05487	1.0
69.03409	1.8
70.76860	1.5
70.77217	1.4
74.03369	0.7
79.05479	1.6
80.04996	1.3
81.03409	1.0
82.06570	1.2
83.85870	0.7
85.02895	3.0
91.05482	2.1
93.07020	3.8
94.06545	6.2
95.07329	4.2
96.08119	13.3
97.02886	1.3
97.06535	1.0
98.21373	0.8
100.11236	1.0
103.05515	0.9
106.06488	0.8
108.08101	9.4
109.02843	0.9
109.08881	1.2
110.09679	19.6
116.04979	2.2
120.04455	3.9
120.08096	15.3
122.06046	2.9
122.09653	1.1
123.06831	1.1
124.07584	5.2
134.06027	1.3
136.07565	7.8
138.05540	4.1
138.09129	34.5
142.15625	0.7
144.04440	3.9
146.06006	4.7
148.03947	0.9
148.07591	5.2
150.05580	1.1
150.09142	1.3
152.07062	1.5
160.03973	1.4
161.69388	0.7
162.05476	2.8
164.07104	1.2
166.04977	3.2
166.08629	62.5
172.03926	25.4
174.05554	1.1
178.05026	1.6
180.06480	0.9
190.04999	12.4
197.10698	1.1
198.11626	0.8
204.06554	11.4
209.10760	1.5
211.12332	0.8
212.09436	2.3
213.10176	1.5
216.06621	1.7
223.08730	1.3
223.12280	0.8
224.09424	1.5
225.10260	3.3
227.11807	2.6
235.08641	1.6
236.09474	1.6
237.10141	7.8
238.10971	1.5
239.08081	1.2
239.11787	2.1
240.09152	1.0
241.09795	2.1
245.12950	1.4
247.14481	2.3
249.10199	1.4
250.07138	1.2
251.08026	1.9
251.11755	6.6
252.09061	1.5
252.12535	1.2
253.09717	4.5
255.11377	2.7
263.11801	0.9
264.08765	1.1
265.09686	14.7
266.10437	2.4
267.11331	3.1
271.10788	2.7
273.12320	5.5
278.06616	5.6
279.11230	7.0
280.08478	2.1
280.11783	0.8
281.09152	1.9
281.12827	1.6
283.10760	5.9
285.12531	1.5
292.08191	1.6
293.09207	14.6
294.10013	2.9
295.10690	1.5
296.11877	1.0
297.12207	4.9
299.10275	2.1
300.10904	1.2
307.10797	4.0
309.12399	2.2
311.10287	2.7
312.11118	2.6
313.11816	5.0
323.10114	1.3
325.11792	16.1
335.10153	7.6
339.13495	0.7
340.10526	2.4
341.11279	14.8
343.12744	1.4
353.11313	12.3
353.15268	1.2
357.14468	3.6
373.13828	8.8
385.13803	4.3
386.75323	0.8
418.17545	1.2
437.19315	1.0
444.19568	0.9
460.18622	2.3
465.19089	6.6
478.19559	5.3
485.22589	0.8
488.18219	6.6
506.19208	100.0
507.19495	2.8
510.22598	0.7
520.20599	1.9
538.21832	22.8
669.84399	0.8
699.52655	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	699.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.1
57.03417	8.5
57.07076	25.1
67.05499	40.9
67.11759	2.9
69.07062	13.9
69.72476	18.1
70.70908	2.9
71.08635	20.5
77.93243	2.6
79.05488	44.9
81.03418	5.2
81.07056	42.3
82.07400	2.6
83.04976	7.9
83.08595	9.0
85.10166	10.3
91.05478	31.8
93.07042	44.4
95.04939	13.1
95.08600	29.2
95.34772	2.9
97.06523	3.6
97.10176	3.4
98.20823	3.6
105.07034	26.0
107.04946	3.8
107.08582	11.2
109.06477	5.2
109.10169	10.3
117.07005	4.0
119.08573	15.5
123.08088	4.0
123.11694	2.9
129.06992	9.4
131.08482	4.0
133.10085	8.6
143.08583	6.9
145.10097	10.2
147.11671	24.4
161.09619	3.8
161.13222	8.1
171.11685	17.1
189.12714	5.6
207.13823	25.4
281.17487	54.3
313.23761	3.0
313.27322	61.4
343.07828	2.9
519.40448	100.0
520.40637	4.8
674.49390	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	699.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47541	1.7
53.03934	4.3
55.01861	4.5
55.05513	27.4
57.03433	16.3
57.07077	52.7
67.01807	1.9
67.05500	42.3
69.03428	11.9
69.07063	16.6
69.93369	9.5
71.01342	7.1
71.04979	5.2
71.08627	35.6
79.05495	21.8
81.03415	92.6
81.07052	38.8
83.04968	18.5
83.08613	41.0
85.02906	25.6
85.06524	2.4
85.10185	20.7
91.05482	28.6
93.07049	19.9
95.01330	9.7
95.04966	30.9
95.08606	37.2
97.02892	14.6
97.06518	8.5
97.10156	10.7
98.20828	1.8
99.04462	1.8
99.08079	1.9
103.03963	1.8
105.07029	21.5
107.04926	6.0
107.08621	9.5
107.09209	2.4
109.06513	6.3
109.10152	18.5
111.04424	7.5
111.08082	13.5
111.11662	1.7
113.02356	4.7
113.06010	3.7
115.05451	3.0
119.08588	22.4
121.06470	3.1
121.10141	10.8
123.08006	3.0
123.11707	3.8
125.02354	8.7
125.09630	2.8
129.07013	13.3
131.08539	11.7
133.06490	2.7
133.10092	10.5
137.09569	2.9
141.01840	25.2
142.07742	1.7
143.03375	1.8
145.10112	3.0
147.08066	3.2
147.11664	24.0
149.09644	5.9
153.12791	4.0
157.10123	18.4
159.11801	1.9
163.11165	5.0
165.12727	6.5
173.09598	1.9
175.11168	19.7
181.12230	4.2
191.10698	5.7
193.10478	3.1
193.12230	63.3
203.64601	1.8
209.11801	2.7
211.13286	81.5
212.13655	2.4
227.12814	9.0
229.14294	3.3
235.13239	2.4
239.23701	10.7
249.14874	3.0
257.24930	2.1
267.15918	53.7
285.16956	14.4
287.12750	2.7
289.14282	2.2
305.13989	2.3
309.16953	2.5
313.27344	99.4
314.27658	4.7
315.12262	2.3
333.13297	3.0
341.26740	4.1
351.14294	1.9
369.15271	6.8
425.18155	4.1
426.91327	2.0
436.66568	2.0
443.19080	15.3
471.29251	2.7
505.38840	38.3
523.39966	100.0
524.40234	6.0
681.41968	7.2
699.43109	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	699.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01863	4.8
55.05510	22.2
57.03186	2.4
57.03437	20.4
57.07075	54.8
63.44506	1.6
65.03924	2.5
67.05502	42.5
69.03420	9.1
69.05512	1.5
69.07067	20.8
71.01338	6.4
71.04980	5.0
71.08626	44.6
73.02883	1.9
76.29292	1.5
79.05499	24.3
79.54426	1.4
81.03414	85.0
81.07049	45.1
81.07535	2.1
83.04969	13.0
83.08616	36.9
85.02905	29.9
85.06541	3.6
85.10179	20.8
86.22652	1.5
89.06021	2.2
91.05478	28.2
93.07034	14.7
95.01326	11.2
95.04960	28.8
95.08604	40.4
97.02896	11.0
97.06531	4.9
97.10171	14.0
99.08051	2.1
99.11710	3.3
103.00150	1.7
105.07021	21.8
107.04937	5.7
107.08594	9.3
109.06513	7.0
109.10155	14.8
111.04439	6.2
111.08058	7.1
113.02370	4.0
117.06995	3.3
119.08578	19.0
121.06469	2.7
121.10156	11.2
123.08039	3.0
123.11671	4.1
125.02375	3.8
125.09596	2.5
129.07014	12.7
131.08569	10.8
131.09433	1.4
132.62762	1.5
133.06487	3.2
133.10104	9.6
135.11690	2.1
137.09673	2.0
141.01811	21.5
145.10117	5.3
147.08054	3.6
147.11685	18.4
149.09604	5.4
157.10124	14.8
163.11208	2.5
165.12761	4.1
175.11174	14.8
177.12943	1.6
181.12314	1.8
184.07236	1.8
185.09476	1.5
191.10643	2.2
193.12230	52.7
211.13264	60.7
217.22253	1.5
227.12784	6.2
229.67827	1.8
235.13289	1.9
239.23679	10.3
249.14789	3.0
267.15903	43.6
285.16922	12.6
289.14484	2.2
305.13870	2.7
313.27356	100.0
314.27740	3.1
341.15976	2.3
351.14279	1.6
369.15384	1.8
382.42081	1.9
389.16281	2.2
407.16739	2.1
443.19073	8.9
505.38867	31.2
506.39029	2.3
523.39917	81.0
524.40045	4.0
613.37048	6.8
681.43018	3.0
699.43286	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01860	0.7
55.05514	2.2
57.03440	2.2
57.07077	0.4
57.97049	0.3
61.02930	4.0
67.05503	3.5
69.03431	3.0
69.07068	1.7
71.04980	0.8
71.12235	0.6
73.02914	3.2
79.05495	3.5
81.03416	6.5
81.07053	3.6
83.04968	1.6
83.08613	2.2
85.02905	6.4
85.03388	0.6
85.06527	0.4
87.04484	0.3
91.03951	2.3
91.05477	3.4
93.07035	2.5
95.04963	3.2
95.08607	2.8
97.02888	3.6
97.06528	1.1
97.10162	0.6
99.04453	0.8
101.02380	1.8
105.07029	3.0
107.04964	1.4
107.08611	2.4
109.02876	1.0
109.06536	1.2
109.10149	1.5
111.04423	0.4
111.08076	1.4
113.06061	0.3
115.03940	0.6
115.05483	0.4
117.06996	0.6
119.04940	0.5
119.08582	2.7
121.10153	2.0
123.04443	0.4
123.08099	0.5
123.11722	0.5
125.09622	0.4
127.03884	1.6
129.07013	1.0
131.08583	1.9
133.10143	2.2
135.08069	0.7
135.11717	0.8
137.05989	1.3
137.09558	0.8
139.03966	0.3
139.11163	0.3
142.07806	0.5
145.02840	0.5
145.05006	0.4
145.10135	1.4
147.04439	0.9
147.08145	0.6
147.11655	2.2
149.09636	0.8
149.13293	0.6
151.07655	0.3
151.11156	0.7
153.01788	0.3
155.08626	0.4
157.10141	1.8
159.11687	0.5
161.13239	0.5
163.03947	0.3
163.11215	0.5
167.10489	0.3
171.11703	0.4
173.06078	0.3
173.13263	0.3
175.03915	0.7
175.11209	1.4
177.05516	1.5
181.12347	0.5
184.07317	0.4
185.04286	0.5
187.11153	0.4
187.14819	0.5
193.12228	2.9
195.04648	0.3
203.05247	0.4
203.17891	0.4
207.06548	0.9
211.13225	2.4
215.14325	0.5
237.18613	0.4
243.08371	2.4
251.12569	3.5
285.17007	1.2
303.05035	3.4
307.15274	1.0
370.33771	0.3
400.89102	0.3
469.20465	13.8
485.32025	0.3
551.26733	0.3
697.34003	100.0
698.34436	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	697.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01860	0.6
55.05505	0.8
57.03436	1.6
61.02922	3.7
67.05505	2.1
69.03424	2.6
69.07058	0.8
70.07979	0.4
70.08372	0.4
71.01342	0.4
71.04987	0.6
73.02914	2.7
78.53442	0.2
79.05487	2.2
81.03410	4.1
81.07056	2.5
82.51954	0.2
83.04961	0.9
83.08606	1.4
85.02898	5.7
85.03697	0.2
85.06532	0.5
87.04466	0.3
88.90456	0.2
91.03951	2.3
91.05470	3.3
91.16491	0.2
93.07047	2.0
95.04968	1.7
95.08613	1.3
97.02885	3.4
97.06522	0.8
97.10180	0.3
99.04440	0.7
101.02382	1.5
103.03930	0.3
105.07018	2.3
107.04959	0.6
107.08602	1.1
109.02863	0.7
109.06500	0.5
109.10159	0.6
111.04483	0.2
111.08099	0.6
113.06010	0.4
115.03937	0.3
119.08576	2.3
121.10126	1.0
123.08058	0.4
123.11710	0.2
127.03900	1.2
129.06990	1.2
131.08563	1.6
133.06468	0.3
133.10132	1.7
135.11694	0.3
137.05951	0.4
137.09618	0.3
142.07797	0.3
145.04948	0.3
145.10112	0.4
147.08104	0.2
147.11670	1.3
149.09572	0.5
157.10133	1.6
163.11159	0.2
165.12749	0.2
165.94838	0.2
175.11133	1.4
177.66991	0.2
185.04245	0.5
187.14903	0.2
193.12253	2.1
203.05237	0.4
211.13332	0.9
243.08437	1.9
250.50151	0.2
251.12492	1.8
285.17023	0.4
289.09421	0.2
303.04898	0.9
307.15186	0.6
425.23764	0.2
439.51694	0.2
469.20407	11.6
470.21133	0.3
506.24844	0.2
535.28790	0.2
697.33966	100.0
698.34351	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	696.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01860	0.3
55.05504	4.9
56.05038	3.2
57.03412	0.5
57.07072	2.5
57.25942	0.3
58.06580	0.8
60.04522	2.0
61.02899	0.6
65.03946	0.6
67.04228	0.4
67.05502	10.0
68.05018	0.5
69.03442	1.6
69.07066	5.7
70.06589	1.9
71.04996	0.3
71.08613	1.1
71.22767	0.8
73.02911	0.3
76.03989	0.5
77.03887	0.3
79.05489	8.4
80.04652	0.2
80.05014	2.3
81.03411	0.7
81.05785	1.6
81.06600	0.6
81.07052	8.8
81.07526	0.5
82.06580	5.3
83.08619	3.9
84.08151	0.6
85.02899	3.5
85.10180	0.7
91.05482	7.3
93.05798	0.6
93.07039	7.7
94.06562	14.8
95.04958	1.3
95.06776	0.3
95.07348	6.9
95.08603	6.9
96.08127	4.9
97.02863	1.4
97.06535	0.5
97.10152	2.0
99.04475	0.3
100.07552	0.3
105.07024	4.9
107.07343	0.4
107.08578	4.1
108.08112	2.1
109.02883	0.3
109.06539	0.3
109.10135	2.4
111.08043	0.3
111.11717	0.7
119.08575	5.4
121.08850	0.6
121.09280	0.3
121.10132	4.7
122.09676	2.0
123.11693	1.4
125.13282	0.3
127.03916	0.6
131.08533	0.3
133.10115	3.2
135.10628	0.4
135.11665	2.8
136.11217	0.6
137.13191	0.8
145.04930	0.3
147.11717	1.6
149.13197	0.8
150.12796	0.4
151.14783	0.5
161.13228	0.9
163.14796	0.8
193.19418	0.4
195.61180	0.3
196.20724	0.3
205.52640	0.3
219.21022	0.7
233.22670	3.4
234.22198	0.6
237.22185	0.4
245.22626	4.3
247.24246	0.4
250.25284	6.0
251.25552	0.3
254.24799	1.8
260.23639	0.3
262.25281	100.0
263.25748	3.2
264.26822	0.5
272.25830	5.5
280.26343	6.3
282.24219	0.4
296.25830	0.4
312.25296	1.1
314.26920	0.4
348.28735	0.3
442.31360	1.1
494.82620	0.3
498.46820	0.5
504.47723	3.0
516.47723	27.0
517.48016	2.2
518.49298	7.7
519.49500	0.6
527.02258	0.3
534.48749	7.3
534.56805	0.4
633.64148	0.4
696.54010	3.4
697.53943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05855	1.0
53.03934	1.4
55.01875	1.1
55.05507	17.1
57.03437	6.3
57.07080	9.3
61.02922	22.1
65.03912	1.9
67.05501	63.0
69.03410	4.0
69.07062	25.5
69.82413	5.6
71.04977	1.9
71.08624	5.6
73.02912	9.0
75.04470	1.7
77.37045	0.8
77.71306	0.9
79.05489	18.7
81.03416	2.1
81.07051	81.6
83.04971	1.9
83.08609	18.3
84.46114	0.9
85.02901	29.4
85.06536	2.5
85.10158	3.1
91.03954	22.9
91.05466	14.8
93.07036	21.4
95.04952	1.4
95.08601	75.4
96.08951	1.1
97.02387	1.1
97.02890	11.9
97.06516	6.8
97.10168	13.1
99.04439	2.4
99.08086	3.9
101.69366	0.9
105.07014	9.1
107.08584	17.7
109.02842	1.2
109.06520	1.0
109.10149	39.9
111.08070	3.8
111.11711	3.2
113.09635	2.6
115.03943	1.8
119.08566	13.1
121.10137	23.8
121.10895	0.5
121.11029	0.9
123.08044	1.6
123.11697	19.9
125.09598	2.2
125.13264	2.0
127.03928	9.2
127.11191	2.5
133.10110	17.7
135.11681	13.5
137.05980	1.4
137.09590	1.0
137.13235	8.1
139.11159	2.0
141.12744	3.6
145.04962	12.8
147.11667	11.6
149.13240	12.5
151.11180	2.2
151.14828	7.3
153.12726	1.4
155.14310	3.4
161.13237	14.1
163.06007	18.2
163.14789	11.0
165.12758	1.6
165.16376	10.0
175.14795	10.1
177.16380	3.2
179.14296	1.3
179.17924	7.3
183.73575	1.0
189.16426	5.4
193.15834	1.4
203.17926	1.9
217.19446	1.2
221.19041	1.0
240.09474	1.0
245.22643	67.8
246.22862	1.2
261.42307	0.9
263.23694	100.0
264.24045	1.8
265.25198	2.7
274.44717	1.0
281.24759	2.6
337.27353	73.7
338.27585	1.5
340.27509	1.0
355.28403	14.1
371.25897	0.9
499.32581	3.9
576.10547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01853	0.8
55.05509	2.3
57.03434	2.9
59.05001	0.6
61.02922	4.7
61.81721	0.4
65.03930	0.4
67.05502	6.8
68.05840	0.6
69.03419	2.9
69.07066	2.0
70.88844	1.0
71.05000	2.0
73.02915	3.0
79.05492	3.7
80.05827	0.4
81.03417	7.5
81.07051	6.0
82.07404	0.6
83.01341	0.7
83.04980	2.2
83.08627	2.3
84.08936	0.4
85.02907	7.8
85.06542	0.8
86.09695	0.8
91.03955	2.8
91.05471	5.2
92.05815	0.6
93.07029	4.1
94.07354	0.7
95.04962	3.1
95.08607	3.0
95.30257	0.3
97.02877	3.9
97.06531	1.2
97.10175	0.6
99.04472	1.3
101.02387	1.8
105.07027	3.8
107.04962	1.2
107.08577	3.1
109.02886	1.3
109.06500	1.0
109.10159	3.3
110.10461	0.7
111.04456	0.4
111.08092	1.1
117.07023	0.9
119.08582	3.1
120.08900	0.4
121.10145	2.8
123.04430	0.4
123.08070	1.2
125.00000	0.4
125.09637	0.5
126.43981	0.4
127.03920	1.6
129.07028	1.1
131.08585	1.5
133.10135	2.3
134.92213	0.4
135.08063	0.6
135.11713	1.6
137.06000	0.5
137.09615	0.8
145.10132	1.4
147.08057	0.8
147.11717	1.5
149.09657	1.0
157.10117	1.7
158.10536	0.5
159.11722	0.6
163.11162	2.0
165.09131	0.5
165.12744	0.5
173.09653	0.6
173.11780	0.4
175.11166	1.2
177.05518	1.0
181.12282	0.6
184.07332	1.9
185.04230	0.4
193.12195	2.5
207.06570	0.4
211.13338	1.5
226.15422	0.4
243.08394	1.5
248.54048	0.4
249.11159	0.5
251.12575	1.0
267.16010	1.3
268.16229	1.0
269.17395	0.6
270.17902	0.8
283.15546	0.5
285.16949	0.6
287.18478	0.5
303.05154	0.8
307.15234	0.4
422.26563	0.6
439.27060	1.1
440.27136	2.4
447.27594	0.6
448.28015	0.7
461.29218	0.7
462.29095	2.5
465.28235	0.5
466.28952	1.3
467.18896	6.5
469.20486	6.2
474.38843	0.4
498.31339	1.2
539.21045	0.4
695.32391	100.0
696.32782	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	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.4
67.05499	1.3
69.03415	1.2
79.05511	1.3
81.07056	1.3
82.06561	1.4
89.05467	1.0
91.05483	2.4
93.07035	4.3
94.06577	9.3
95.07341	3.9
95.63267	1.1
96.04475	2.6
96.08134	14.2
97.06533	1.1
98.09641	1.0
100.11225	3.1
103.05460	1.5
108.08115	10.9
110.09676	22.5
112.07639	1.6
116.04945	2.1
120.04446	3.4
120.08095	16.6
122.06029	7.5
124.07616	6.0
127.16135	0.9
132.85460	1.2
134.05959	1.8
136.07550	8.0
138.05493	4.0
138.09134	33.0
140.06995	5.7
144.04443	4.7
146.06003	3.7
147.04434	1.4
148.07539	4.7
152.07092	1.6
153.84286	1.4
158.08098	4.0
160.03952	1.4
162.05533	1.4
163.03882	1.4
166.04939	3.4
166.07217	2.5
166.08636	51.6
172.03912	25.1
173.04211	1.4
175.03795	1.9
177.05357	2.1
178.05063	1.2
182.15228	1.2
185.56079	1.0
190.04959	12.2
197.10687	1.0
204.06505	7.7
209.10675	1.5
210.14728	2.3
211.12518	1.3
212.09276	1.7
223.12320	1.4
224.09401	1.7
225.10205	2.6
227.11798	1.7
229.70694	1.7
236.09399	2.4
237.10193	9.7
237.13811	2.1
238.10947	2.0
239.11771	3.5
241.09734	2.7
247.14392	3.0
248.09541	1.5
249.10133	3.6
250.07269	1.4
250.10989	3.3
251.07962	1.6
251.11894	5.4
252.08865	1.5
253.09709	5.5
255.11215	3.0
259.10873	1.5
261.10205	1.5
263.11755	4.6
265.09753	12.3
266.10611	2.9
267.11252	2.9
271.10757	1.9
273.12326	4.8
278.06595	5.0
279.11301	9.3
280.08328	2.3
281.09100	2.5
281.12769	2.1
282.09875	1.8
283.10709	4.2
283.13791	1.0
291.11337	1.3
292.08188	2.1
293.09225	12.0
294.09921	3.5
295.10779	2.3
297.12320	8.4
299.10226	3.3
300.10779	1.5
302.12271	1.1
307.10730	5.7
309.12341	8.3
311.10281	3.0
312.11023	2.1
313.11627	3.5
325.11816	17.2
335.10352	7.6
340.10162	1.6
341.11353	11.4
343.12906	2.2
353.11273	10.5
355.13251	1.3
357.14368	4.9
367.12970	2.5
373.13882	7.3
385.14185	2.7
460.18863	1.8
462.20071	4.0
465.18967	5.6
466.19345	1.1
478.19553	4.0
488.18066	4.2
494.22754	5.3
498.11081	2.8
506.19232	100.0
507.19452	3.4
510.22247	2.6
520.20593	10.5
522.22131	2.0
538.21729	27.5
580.40759	1.3
627.23553	2.3
695.50018	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	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06817	1.8
54.14038	2.2
67.05495	4.6
69.03443	3.3
69.29915	13.6
69.30334	7.5
71.46310	2.1
72.27653	2.1
74.00369	2.0
77.03893	2.4
79.05479	6.6
81.03390	2.7
81.07050	6.3
82.06579	3.4
91.05499	5.8
93.07027	5.3
94.06564	7.9
95.07341	3.3
95.08614	4.1
96.08131	14.8
97.02888	2.6
97.06480	2.6
106.06574	3.1
107.08572	3.0
108.08113	14.0
109.02885	2.0
110.06062	5.9
110.09673	21.1
116.04987	5.7
120.08111	16.7
122.06034	17.8
123.06801	3.6
124.07590	20.8
127.03894	2.7
134.06042	3.6
136.07574	43.2
138.09122	31.6
140.07039	9.2
144.04391	12.5
145.10013	2.2
146.06015	8.9
147.04420	2.7
148.07596	7.3
150.05473	2.6
150.09120	2.8
152.07043	28.6
154.04890	2.5
158.08157	4.4
160.03908	3.2
162.05507	8.0
164.07047	67.1
166.08624	40.0
168.06615	4.2
170.08221	2.7
172.03935	66.6
172.07716	2.3
174.05496	3.0
175.03899	3.3
176.07042	2.0
177.05479	2.4
182.08128	67.4
190.04971	21.6
192.06560	2.3
204.06546	100.0
205.06865	3.1
207.06497	3.6
218.08205	5.4
220.09663	2.8
220.37407	2.2
221.10608	3.2
223.12285	3.7
224.09369	2.9
225.10248	3.0
227.11789	2.6
235.12190	2.3
236.09412	6.2
237.10263	4.2
238.10960	3.0
239.11746	5.3
243.11279	6.7
249.10248	3.7
250.10869	12.5
251.08145	2.4
251.11807	8.3
252.12642	3.2
253.09799	4.7
253.13359	3.6
255.11278	3.7
259.10657	2.5
263.11755	11.5
264.08951	3.7
265.09781	7.1
265.13440	6.9
266.10431	2.6
267.08026	2.1
267.11246	9.7
269.08841	2.6
269.13016	2.6
276.08667	2.4
279.08240	3.7
279.11246	21.8
281.09244	4.0
281.12885	4.4
283.10822	3.2
285.12320	11.8
287.10223	8.8
287.13757	2.8
291.11264	4.4
293.09222	4.7
293.12805	3.1
295.10696	10.5
297.12317	20.7
298.12991	4.0
299.10324	9.0
299.13986	6.6
303.04883	3.4
303.13412	16.6
307.10660	3.9
309.12341	19.2
310.13062	3.2
311.10208	11.1
311.13852	8.7
313.11801	9.1
315.13251	3.2
321.08673	2.3
321.14676	3.7
323.10181	43.7
324.10822	2.8
325.11816	36.8
327.13501	3.4
329.11389	3.4
329.15036	3.0
337.11707	18.5
338.12543	5.2
339.09918	4.3
339.13489	9.5
341.11346	9.8
343.12949	12.0
353.11404	2.9
355.12720	5.6
357.14529	17.0
359.12354	2.7
369.14478	22.8
370.15298	2.7
371.12317	6.9
371.15964	7.8
373.14041	18.0
375.15332	2.8
397.63934	2.5
401.13403	3.2
428.16397	3.0
448.18524	2.9
460.18741	3.2
464.17902	2.3
474.16708	2.9
476.18060	7.5
480.21561	15.9
488.18298	6.4
490.19687	3.9
492.17709	5.5
494.19171	29.8
498.18695	3.1
506.19287	35.3
508.20837	34.3
509.21246	2.3
510.22278	5.1
512.20752	2.6
520.20862	13.4
522.22021	5.7
524.19904	6.1
526.21820	4.3
528.24237	2.2
538.21729	23.2
601.26825	2.2
609.23285	3.2
627.24298	9.7
645.25232	11.2
663.26813	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	695.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24400	1.0
73.14410	0.9
74.84044	1.0
79.05485	2.3
81.03409	1.3
81.07054	1.3
82.06530	1.5
85.02885	1.1
91.05478	2.6
93.07052	5.4
94.06558	9.7
95.04972	1.2
95.07330	4.1
96.04520	1.0
96.08128	9.9
98.21535	2.2
100.11251	1.3
103.05479	1.5
104.00897	1.0
108.08097	10.1
110.09687	20.7
112.07620	2.5
116.04999	1.5
118.06539	1.1
119.16299	0.9
120.04464	3.8
120.08090	13.1
122.06020	8.5
123.04292	1.3
124.07590	4.0
134.06009	1.1
136.07582	8.3
138.05490	2.8
138.09131	35.0
140.07062	5.6
144.04434	3.8
145.02818	1.2
146.05966	3.8
147.04431	2.7
148.07568	5.5
152.07037	1.5
158.08134	3.7
160.03854	1.1
162.05518	2.7
163.03920	1.2
166.04999	3.0
166.08643	56.9
167.09100	1.0
172.03922	22.7
175.03912	2.1
177.05490	1.9
178.04916	1.3
190.04994	12.2
204.06580	9.8
207.06572	1.2
209.10754	2.7
209.16389	1.6
210.14891	2.1
211.12244	1.7
212.09456	1.7
222.11412	1.6
223.12305	1.2
224.09468	1.9
225.10185	2.7
226.10786	1.1
227.11780	3.3
235.08710	2.1
236.09354	1.3
237.10211	10.0
237.13788	1.4
238.10970	1.8
239.11815	3.6
241.09689	2.4
247.14351	2.4
249.10196	3.1
250.11086	3.4
251.11728	7.4
252.08937	2.2
253.09616	4.9
253.13362	1.2
255.11288	2.2
259.10812	1.1
263.11832	5.3
265.09738	16.2
266.10577	2.1
267.11185	3.3
269.12872	1.4
271.10715	3.0
273.12305	6.8
278.06586	3.8
279.11258	11.4
280.08359	2.0
280.11865	1.6
281.09143	1.4
281.12823	1.6
283.10864	5.3
285.12262	2.8
292.08249	1.7
293.09229	13.1
293.12555	1.7
294.09958	4.2
295.10831	3.1
297.12308	6.8
299.10269	2.6
307.10803	4.1
309.12225	6.5
311.10312	3.2
312.11063	3.7
313.11853	5.8
319.06299	1.2
320.13394	1.0
323.10297	2.0
325.11786	17.2
329.15051	1.2
335.10272	8.5
337.11847	1.2
340.10455	2.1
341.11292	13.5
342.15875	1.1
353.11334	9.7
355.12894	1.9
357.14374	5.3
367.12949	3.3
373.13962	9.0
385.13889	3.6
418.17371	1.8
460.18851	2.0
462.20270	4.1
465.18936	8.4
466.19388	1.8
478.19675	4.5
488.18076	7.3
494.22757	4.8
497.10382	1.8
498.11316	5.7
499.11267	1.0
506.19226	100.0
507.19296	5.2
520.20770	11.6
522.22125	2.4
538.21826	27.8
539.22089	1.5
619.27209	1.5
627.24176	1.5
695.38763	1.3
695.50641	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	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01863	8.2
55.05511	29.0
57.03437	14.1
57.07076	4.6
65.03928	3.0
67.05142	3.8
67.05505	74.8
69.03430	4.9
69.07064	42.7
71.04983	5.4
71.51330	3.6
79.05072	4.8
79.05495	57.9
81.03398	13.3
81.07056	100.0
82.07382	2.6
83.04985	15.5
83.08602	18.8
85.06542	7.6
86.09721	10.2
91.05482	50.7
93.07041	65.6
95.04961	15.3
95.08609	43.9
97.02897	2.9
97.06548	16.2
97.10164	8.2
105.07033	42.2
107.04958	10.5
107.08596	39.8
109.02933	2.9
109.06553	6.7
109.10162	14.3
111.08081	4.2
117.07040	17.1
119.08595	31.3
121.06512	6.3
121.10151	17.6
123.08087	3.1
123.11713	5.1
124.99986	7.0
125.09604	5.7
129.07002	7.3
131.08575	23.6
133.10127	28.7
135.08057	5.8
135.11702	15.8
137.09622	3.5
143.08569	6.2
145.10146	14.9
147.11676	12.7
149.09595	9.2
149.13263	12.9
151.11143	4.7
157.10147	9.1
159.11678	15.6
161.11969	2.8
161.13235	5.4
163.11191	11.7
169.10164	5.4
171.11755	3.9
172.05045	2.8
173.13261	4.8
177.12706	6.5
179.14265	4.8
183.11815	4.1
184.07344	37.5
185.13304	3.0
193.12134	3.3
195.13771	7.4
197.13316	4.8
211.13368	3.0
227.12700	3.9
255.15813	13.5
257.18851	7.2
267.15790	6.3
269.17447	24.6
269.52750	3.1
275.20081	32.3
349.23727	20.2
367.24942	4.5
449.29144	16.9
460.23132	2.9
463.30420	19.1
483.66245	3.0
543.36682	14.7
595.37225	3.2
694.47205	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	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01863	8.2
55.05511	29.0
57.03437	14.1
57.07076	4.6
65.03928	3.0
67.05142	3.8
67.05505	74.8
69.03430	4.9
69.07064	42.7
71.04983	5.4
71.51330	3.6
79.05072	4.8
79.05495	57.9
81.03398	13.3
81.07056	100.0
82.07382	2.6
83.04985	15.5
83.08602	18.8
85.06542	7.6
86.09721	10.2
91.05482	50.7
93.07041	65.6
95.04961	15.3
95.08609	43.9
97.02897	2.9
97.06548	16.2
97.10164	8.2
105.07033	42.2
107.04958	10.5
107.08596	39.8
109.02933	2.9
109.06553	6.7
109.10162	14.3
111.08081	4.2
117.07040	17.1
119.08595	31.3
121.06512	6.3
121.10151	17.6
123.08087	3.1
123.11713	5.1
124.99986	7.0
125.09604	5.7
129.07002	7.3
131.08575	23.6
133.10127	28.7
135.08057	5.8
135.11702	15.8
137.09622	3.5
143.08569	6.2
145.10146	14.9
147.11676	12.7
149.09595	9.2
149.13263	12.9
151.11143	4.7
157.10147	9.1
159.11678	15.6
161.11969	2.8
161.13235	5.4
163.11191	11.7
169.10164	5.4
171.11755	3.9
172.05045	2.8
173.13261	4.8
177.12706	6.5
179.14265	4.8
183.11815	4.1
184.07344	37.5
185.13304	3.0
193.12134	3.3
195.13771	7.4
197.13316	4.8
211.13368	3.0
227.12700	3.9
255.15813	13.5
257.18851	7.2
267.15790	6.3
269.17447	24.6
269.52750	3.1
275.20081	32.3
349.23727	20.2
367.24942	4.5
449.29144	16.9
460.23132	2.9
463.30420	19.1
483.66245	3.0
543.36682	14.7
595.37225	3.2
694.47205	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	694.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01853	10.0
55.05510	37.1
57.03424	13.3
57.07071	5.5
57.65529	4.1
64.42699	3.8
65.03922	3.8
67.05502	100.0
68.69554	3.2
69.03425	4.5
69.06736	4.5
69.07065	48.9
69.65795	3.0
69.66122	25.1
71.04972	7.0
71.08633	7.0
79.05487	79.8
81.03397	12.3
81.07057	95.1
83.04958	13.7
83.08615	25.4
85.06554	7.2
91.05475	77.9
93.07037	76.6
95.04984	22.2
95.08595	52.7
96.64606	3.4
97.06511	15.1
97.10155	16.8
99.08080	6.4
105.07024	71.0
107.04920	10.3
107.08599	53.4
109.06506	8.2
109.10177	30.1
111.08084	6.7
113.06056	3.6
117.07023	28.8
119.08562	51.1
121.06498	7.7
121.10143	27.1
121.81779	3.4
122.37640	4.1
123.08055	9.1
123.11682	4.7
125.09671	8.5
129.06995	17.1
131.08553	32.1
133.06462	3.6
133.10115	42.5
135.08043	7.7
135.11702	25.4
137.09563	5.0
141.07010	5.2
143.08543	10.6
145.10136	24.8
147.11700	23.9
149.09619	9.2
149.13260	8.6
151.11156	5.8
155.08545	8.8
157.10094	16.8
159.11720	21.5
159.12880	3.2
161.09660	5.0
161.13211	10.6
163.11162	6.7
169.10109	9.9
171.11670	15.1
173.13292	6.6
184.07315	8.5
185.13306	9.4
190.15366	3.9
193.12186	6.3
195.11708	4.1
195.13702	6.6
197.13252	7.3
225.16454	4.6
239.18111	4.4
255.16034	4.7
257.19119	6.4
259.20587	12.9
269.17389	9.1
275.20166	16.8
293.21082	25.1
333.24127	12.0
349.23535	10.8
366.67911	4.3
367.24774	4.8
513.35608	10.5
522.38977	18.0
527.37305	7.0
561.37628	8.3
721.93408	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	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43261	0.8
51.45159	0.9
53.03947	2.8
53.31003	0.9
55.01865	4.3
55.05504	17.1
57.03435	13.2
59.05011	5.1
60.08158	1.1
61.02924	5.3
65.03939	3.7
67.05502	100.0
68.05822	1.2
69.03423	5.6
69.07071	12.3
70.76700	2.6
71.01331	1.5
71.04990	34.5
73.02905	2.1
76.13263	1.1
79.05486	35.4
80.05818	1.3
81.03413	52.6
81.07053	40.3
82.03746	1.1
82.07407	1.0
83.04971	16.0
83.08614	23.7
85.02903	26.7
85.06541	5.3
86.09718	6.0
87.04486	1.2
91.03941	2.5
91.05480	46.0
92.05800	1.2
93.07040	32.8
95.04965	26.6
95.08607	19.8
97.02898	6.0
97.06528	9.6
97.10173	4.4
98.98409	0.9
99.04446	2.0
99.08097	2.6
101.05972	0.8
105.07021	23.2
105.07693	1.4
106.07319	1.1
106.41230	0.9
107.04950	7.9
107.08578	17.6
109.02902	1.2
109.06490	5.1
109.10151	74.7
110.10489	1.2
111.04444	3.5
111.08086	12.1
113.06024	2.0
117.07010	4.2
119.08574	29.8
120.08926	1.0
120.30072	0.9
121.06529	3.2
121.10135	12.9
123.08064	2.6
123.11702	2.2
125.00000	3.3
125.09635	2.7
127.03922	1.9
129.07004	12.3
131.08568	12.9
133.06525	2.1
133.10127	14.7
135.08047	1.1
135.11681	14.2
137.09598	12.1
142.07776	3.7
145.10135	6.7
147.08058	3.3
147.11685	14.1
149.09627	5.9
151.11166	1.1
155.10674	3.1
157.10117	12.8
163.11143	5.4
165.12781	3.6
169.12265	2.1
173.11743	8.8
173.13101	1.5
175.11154	11.2
181.12225	3.1
184.07327	19.0
187.13353	1.2
187.35963	0.9
193.12231	31.4
194.12640	1.6
196.92291	1.0
199.13301	1.2
205.50764	1.0
211.13272	32.7
212.13629	1.5
229.14359	2.8
243.15854	2.6
255.15916	12.5
267.15924	16.1
269.17493	1.3
280.61520	0.9
285.16949	19.2
286.17276	1.6
287.18481	19.2
288.19031	1.0
403.24872	2.2
421.25867	23.9
422.26266	2.0
439.26883	70.8
440.27237	4.4
447.27390	26.2
448.27594	2.3
453.28687	9.2
461.29031	2.8
465.28476	41.3
466.28613	2.2
479.30313	4.4
497.31082	43.4
498.31290	2.9
599.18896	1.1
644.35480	1.5
695.31757	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	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86643	1.5
53.03950	3.0
55.05511	10.8
57.03433	6.0
57.07071	3.3
61.02921	28.6
65.03946	1.9
67.05503	58.6
69.03432	4.9
69.07067	11.3
70.65642	3.3
71.04993	4.1
71.08633	1.7
73.02917	10.5
79.05489	40.8
81.07053	75.9
83.08626	5.8
85.02898	28.8
85.06542	3.0
91.03954	31.6
91.05473	20.0
93.07038	54.2
95.04946	3.8
95.08600	52.5
97.02893	13.6
97.06555	3.5
97.10155	5.1
105.07038	15.4
107.08585	35.8
109.10160	30.9
113.09611	1.9
117.07018	7.3
119.08569	14.6
121.10136	34.5
123.11696	15.1
127.03907	10.6
131.08546	19.3
133.10126	17.1
135.11681	26.6
137.09526	1.6
137.13266	7.3
145.04968	14.2
145.10115	17.8
147.11711	12.2
149.13252	19.4
151.11201	2.3
151.14877	1.8
153.12776	1.6
159.11693	13.9
161.13219	11.7
162.42863	1.5
163.06036	18.8
163.11224	1.6
163.14833	16.8
165.12793	3.7
173.13240	12.5
175.14771	3.8
177.12762	1.6
177.16374	5.9
179.14288	3.3
187.14799	10.3
189.16640	2.1
201.16466	2.8
215.17821	2.1
233.22632	3.6
240.64720	1.5
243.21086	33.7
244.21373	2.1
261.22122	100.0
262.22522	4.6
263.23697	2.2
265.28568	1.6
279.23239	2.4
296.76834	1.8
310.20956	2.1
335.25742	20.2
353.22433	2.5
353.26846	52.3
496.85547	1.9
497.30557	2.5
514.36322	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53402	0.5
52.37247	0.7
53.03936	2.3
55.01866	1.6
55.05273	0.7
55.05510	8.4
57.03438	11.5
57.07078	1.2
61.02920	0.8
65.03931	0.8
67.05503	24.6
69.03422	2.1
69.07072	7.6
70.96310	1.2
71.01341	2.6
71.04982	3.5
79.05029	1.1
79.05490	21.4
80.05843	0.7
81.03416	41.2
81.06589	1.2
81.07053	15.9
82.35081	0.6
83.04987	5.6
83.08618	8.8
85.02894	2.0
85.06535	2.3
85.13241	0.6
86.09698	1.2
91.05478	14.1
92.05824	0.7
93.07040	27.7
94.07359	0.8
95.04967	13.1
95.08599	6.6
97.02884	1.8
97.06533	7.0
97.10159	6.2
99.04469	0.8
99.08120	1.0
105.07024	8.2
107.04948	3.2
107.08590	16.8
109.06506	1.8
109.10145	5.8
110.58520	0.7
111.04446	1.4
111.08079	3.7
117.07002	3.6
119.08583	8.6
121.06526	1.7
121.10152	6.5
123.04385	0.7
123.08083	1.2
124.99971	0.7
125.09592	1.5
127.03935	0.9
129.07014	4.3
130.07771	0.8
130.58910	0.6
131.08585	4.4
131.16127	0.6
133.06485	1.4
133.10120	4.8
135.08047	1.4
135.11682	29.3
136.12035	0.7
137.05949	0.8
137.09598	1.8
142.07771	1.2
145.10115	6.6
147.04367	0.8
147.08051	2.1
147.11693	4.2
148.28836	0.7
149.09621	2.2
151.11139	1.2
153.12724	1.3
157.10126	5.2
163.11177	4.5
173.13025	0.7
175.11168	5.4
175.88452	0.6
181.12198	5.6
184.07413	1.5
187.75177	0.6
190.33281	0.6
193.12231	11.8
207.06564	1.4
211.13374	1.9
249.14975	1.7
255.15910	65.6
256.16254	1.4
259.13300	0.9
267.15903	42.5
268.16299	1.6
269.17569	1.1
272.65329	0.6
285.17194	0.7
373.23724	1.1
403.24918	1.7
421.25809	6.8
429.26331	1.1
439.27057	1.4
447.27414	100.0
448.27734	7.1
465.28561	3.5
479.29837	2.1
489.28342	1.4
497.30804	1.4
629.48090	0.9
695.31586	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	693.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01862	1.1
55.05513	2.9
57.03440	2.3
61.02923	4.5
65.77642	0.4
67.05500	7.2
68.05840	1.0
69.03423	3.0
69.07056	1.6
70.07385	0.5
71.04984	1.3
71.50985	0.4
71.51389	0.6
73.02909	3.3
79.05074	0.7
79.05489	7.8
80.05807	0.8
81.03418	6.4
81.06591	0.7
81.07050	8.2
82.07393	0.6
83.04999	2.0
83.08614	2.3
84.27369	0.4
85.02903	6.3
85.06525	0.7
86.09681	0.5
91.03954	2.8
91.05477	6.9
93.07044	5.0
94.07384	0.5
95.04963	3.3
95.08591	2.6
96.08932	0.6
97.02895	4.2
97.06527	1.7
97.10175	1.0
99.04456	0.6
101.02364	1.5
105.07032	4.3
107.04958	1.0
107.08614	3.7
108.08926	0.7
109.02872	0.9
109.06513	0.5
109.10137	2.3
111.08071	0.9
117.07014	1.0
119.08552	2.7
121.06513	0.6
121.10139	2.1
123.08058	0.6
123.11693	0.5
125.00001	0.6
125.09576	0.4
127.03890	1.7
129.05476	0.8
129.07013	1.6
131.08575	2.1
133.10117	2.7
135.08063	0.5
135.11702	1.1
138.03493	0.4
145.10104	0.7
147.08095	0.5
147.11671	2.8
149.13284	1.0
157.10118	1.3
159.11726	0.5
161.09560	0.5
163.11197	0.8
171.11702	0.9
171.77118	0.4
173.11781	0.5
175.11197	1.3
175.12566	0.4
184.07373	1.8
189.11320	0.4
193.12157	2.2
195.13882	0.6
196.14169	0.5
199.13438	0.4
203.05322	0.5
211.13364	1.1
211.77188	0.4
243.08330	2.2
247.13138	1.7
251.12630	0.6
267.15930	1.3
268.16208	0.6
269.17441	1.3
270.17877	1.0
283.15271	0.5
285.16876	0.6
286.17249	0.7
301.16498	0.5
302.16672	0.8
338.17163	0.4
392.69302	0.4
412.27673	0.5
423.27350	0.8
424.27936	1.0
460.27744	0.7
465.20914	4.8
469.20407	9.0
477.28479	0.5
478.28827	2.3
495.29419	0.5
496.29825	3.8
504.16016	0.4
543.75238	0.5
543.91022	0.5
622.32690	0.5
640.34668	0.7
693.34491	100.0
694.34827	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01874	13.0
55.05512	28.9
56.16656	1.5
57.03200	1.8
57.03437	22.2
57.07062	3.8
61.02919	7.1
61.41951	1.6
65.03932	3.4
67.05505	83.4
69.03429	10.1
69.07063	23.4
69.20792	1.8
71.01340	2.3
71.04981	6.9
73.02914	7.5
79.05492	52.0
79.13345	1.6
81.03410	22.9
81.07054	83.4
83.04984	18.1
83.08617	24.5
85.02907	10.0
85.06536	4.4
86.09706	3.0
91.03954	3.3
91.05480	30.3
93.07044	59.2
95.04969	19.0
95.08608	28.7
97.02880	9.7
97.06540	14.4
97.10186	15.2
98.07290	2.3
99.04420	3.6
99.08080	4.4
105.07031	18.8
107.04938	8.1
107.08596	40.4
109.02854	3.6
109.06516	6.0
109.10158	21.1
110.58324	1.6
111.04411	2.5
111.08086	11.4
114.02496	1.5
116.04717	7.9
117.07034	11.5
119.08568	11.2
121.06487	3.9
121.10130	18.9
123.08055	6.8
123.11707	4.7
125.09616	14.1
125.94614	1.4
126.26466	1.5
127.03889	3.1
127.11230	1.5
129.05482	19.1
129.06982	5.0
131.08578	15.9
133.06425	1.8
133.10136	17.8
135.08029	4.9
135.11697	14.3
137.09636	2.8
139.11162	1.5
143.07001	5.6
143.10683	1.9
145.05013	2.1
145.10120	5.6
147.08043	2.1
147.11697	7.8
149.09608	3.1
149.12201	2.4
149.13281	29.3
151.11215	1.8
153.12750	3.2
157.08582	7.9
157.10031	4.1
158.05757	2.2
159.11679	11.2
163.11153	7.1
165.12700	2.7
171.06520	2.4
171.10242	2.5
173.09537	2.5
173.11700	4.1
175.11140	3.7
177.12721	8.2
181.12244	2.3
184.07333	15.8
189.11198	3.5
191.10649	2.2
193.12314	5.6
195.13803	17.6
199.13306	17.2
209.11717	11.6
211.13376	5.0
227.12781	8.8
229.14420	3.7
255.15869	3.2
267.15942	12.0
269.17474	97.1
283.15338	12.7
285.16940	3.4
301.16470	43.0
323.18433	3.0
393.26312	7.1
411.27390	10.6
413.21790	3.6
423.27399	26.1
424.27646	2.1
449.83005	1.9
461.28488	10.5
477.28525	17.5
478.29089	7.0
495.29544	100.0
496.29764	4.2
574.35217	2.0
639.33099	3.2
693.34424	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
54.22013	1.6
54.98095	1.5
55.01857	7.0
55.05239	2.1
55.05505	38.2
57.03194	2.0
57.03432	20.9
57.07062	2.6
59.04990	3.7
61.02925	8.5
65.03934	2.4
65.93493	1.5
65.94050	1.5
67.05503	100.0
68.05817	1.8
69.03417	4.2
69.07065	20.5
71.01344	2.3
71.04981	9.7
73.02911	3.8
79.05488	44.4
80.05783	1.4
80.71690	1.7
81.03416	15.4
81.07052	82.5
83.04984	13.1
83.08612	24.2
85.02908	18.3
85.06535	5.5
87.04475	7.3
91.03954	2.1
91.05480	28.2
93.07037	48.7
95.04961	11.3
95.08611	19.6
97.02888	7.5
97.06529	8.9
97.10162	14.5
99.08093	2.4
105.07030	15.3
107.04933	6.3
107.08588	33.6
108.08922	1.7
109.02843	2.3
109.06516	4.0
109.10153	48.5
109.97565	1.8
111.04436	1.8
111.08065	8.4
111.11814	1.5
116.04682	1.5
117.06992	11.7
119.08571	10.8
121.06529	3.4
121.10154	9.5
123.08054	4.8
123.11629	3.1
125.09635	15.0
127.03816	1.8
129.05460	7.1
129.06963	4.1
131.08560	10.0
133.10123	15.5
135.08072	2.9
135.11694	14.6
137.09625	2.7
143.07010	1.9
143.10625	2.5
145.10097	6.4
147.07985	1.8
147.11673	5.9
149.09612	2.5
149.13245	12.4
153.12717	4.0
155.10652	2.9
157.10126	2.7
159.11668	9.8
163.11209	8.8
165.12746	2.0
171.11641	1.8
171.46982	1.5
173.09560	2.0
173.11725	14.9
174.34193	1.5
177.12709	4.9
181.12241	2.6
184.07310	3.6
191.10614	4.2
193.12238	3.6
195.13766	17.7
199.13306	8.9
209.11716	8.9
211.13345	2.8
213.14789	2.9
227.12685	8.2
229.14346	48.4
239.16356	2.4
257.13788	4.3
267.15826	7.3
269.17456	61.5
270.17816	1.6
283.15311	5.0
297.17038	1.6
301.16473	15.0
321.42538	1.5
357.24271	1.6
393.26147	2.4
407.04935	1.9
411.27487	7.0
422.26797	1.6
423.27338	39.0
477.28647	2.0
495.29514	58.4
496.29657	4.4
513.30438	21.7
531.36530	1.6
674.07031	2.0
693.32007	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01868	8.9
55.05509	34.5
57.03424	20.2
57.07061	1.4
59.04991	3.8
61.02918	8.1
65.03943	2.2
66.04724	0.9
67.05502	100.0
68.05821	1.6
69.03430	5.4
69.06691	1.1
69.07066	19.6
69.37801	8.3
71.01334	2.1
71.04992	8.4
73.02927	6.5
79.05488	41.8
81.03411	16.8
81.07052	78.7
83.01330	0.8
83.04969	14.0
83.08157	1.6
83.08617	23.7
85.02897	19.9
85.06544	5.1
85.73568	0.8
87.04466	5.5
91.03954	3.0
91.05474	30.4
93.07040	44.7
95.04971	10.1
95.08600	24.1
97.02278	1.2
97.02876	8.1
97.06523	11.4
97.10162	16.3
99.04432	1.7
99.08076	3.1
103.03939	1.7
105.07035	14.0
107.04962	5.3
107.08588	29.6
109.02840	0.9
109.06518	4.4
109.10149	55.6
110.16347	1.0
111.04402	1.8
111.08081	7.1
112.60506	0.9
116.04695	1.3
117.07010	8.0
119.08571	11.4
121.06466	2.4
121.10130	14.2
121.10936	1.1
123.08070	3.0
123.11703	3.8
125.09618	14.2
127.03898	1.8
128.06290	1.3
129.05492	4.7
129.07022	1.7
131.08553	9.3
133.10120	14.4
135.08012	1.7
135.11676	11.0
137.09595	4.5
143.07018	1.6
143.08514	1.2
143.10687	2.9
145.10138	6.5
146.10451	1.0
147.08023	2.0
147.11699	6.0
148.12196	0.9
149.09628	3.0
149.13240	11.4
151.11166	1.2
153.12737	3.5
155.10677	3.1
157.08710	1.5
157.10094	2.6
159.11705	8.6
163.11185	9.9
165.12726	4.0
167.14395	1.2
173.04486	1.1
173.09613	1.9
173.10133	1.6
173.11725	18.9
175.11174	2.7
177.12711	4.7
181.12224	3.5
184.07324	2.8
185.11639	1.4
189.11220	1.1
191.10687	4.1
193.12184	7.2
195.13795	15.8
195.15495	1.3
199.13278	8.5
209.11688	7.6
211.13225	4.3
213.14778	2.7
227.12758	10.2
229.14333	54.7
230.14616	0.9
239.16504	2.4
257.13797	1.9
261.57776	0.9
267.15884	9.1
269.17462	59.7
270.17972	1.2
283.15375	5.9
297.16986	1.6
301.16455	19.0
313.16422	1.5
315.61447	0.9
323.18616	1.5
357.24115	1.9
393.26334	2.2
411.27341	5.7
423.27380	36.1
424.27750	1.6
431.27850	2.1
449.28925	1.7
475.84790	1.0
477.28528	3.5
495.29510	61.4
496.29770	1.9
513.30591	23.8
620.85352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98346	1.3
55.01860	2.7
55.05512	16.9
57.03436	14.4
60.09868	1.4
61.02930	3.5
67.05503	27.0
67.77702	1.5
69.03424	3.9
69.07056	6.2
70.16013	4.1
70.16419	2.9
71.04980	4.8
78.57075	1.6
79.05072	2.5
79.05489	24.0
81.03413	74.3
81.06607	1.7
81.07056	31.6
83.04977	16.4
83.08160	2.3
83.08617	29.6
85.02901	27.7
85.06526	1.5
91.03953	1.7
91.05473	35.0
93.07039	17.8
95.04381	2.0
95.04966	28.4
95.08605	10.6
97.02879	6.5
97.06532	3.1
97.10165	4.0
105.07022	25.6
107.04953	7.1
107.08601	7.8
109.06516	4.4
109.10142	2.4
111.04427	2.1
111.08070	12.6
113.06026	1.7
117.07018	1.5
119.08571	21.2
121.06497	2.6
121.10150	10.9
123.08037	2.3
123.11691	2.0
125.09577	1.6
129.07007	13.0
130.22876	1.4
131.08571	15.6
133.06503	2.7
133.10139	13.2
137.09624	2.7
142.07701	2.7
145.09984	1.9
147.08040	3.6
147.11674	16.0
149.09612	6.9
157.10115	19.1
163.11127	2.2
165.12762	3.8
175.11186	18.5
193.12219	60.5
200.63469	1.5
211.13274	100.0
212.13715	2.4
249.14726	1.8
267.15891	43.0
285.16943	96.0
367.22644	3.9
380.56927	1.5
385.23544	4.5
403.24704	1.9
433.25818	1.5
459.27325	22.6
477.28473	27.8
485.63434	1.7
495.29526	78.2
496.29800	2.2
601.99860	1.8
645.75543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.4
55.01859	2.7
55.05508	14.6
57.03186	1.3
57.03436	12.0
57.07082	1.0
58.68702	1.0
59.04979	1.0
61.02908	3.5
65.03926	1.4
67.05501	26.3
69.03415	4.3
69.07069	7.5
70.72561	2.1
70.72906	1.3
71.04980	5.6
75.62379	0.9
79.05494	24.9
80.42940	0.8
81.03414	75.8
81.07051	32.6
81.07526	1.7
83.04499	1.2
83.04977	17.0
83.08103	1.0
83.08613	24.8
85.02905	29.8
85.06516	2.9
86.09689	1.1
91.03948	1.7
91.05479	35.8
93.07040	18.7
95.04963	35.1
95.08604	11.4
97.02892	4.8
97.06518	4.1
97.10159	7.0
99.08044	1.2
101.57027	0.9
105.07021	25.9
107.04962	8.8
107.08587	9.9
109.06499	6.2
109.10133	3.9
111.04434	3.7
111.08071	12.9
113.05971	3.1
115.05436	1.8
117.06975	3.2
119.04948	0.9
119.07813	1.8
119.08585	20.4
121.06445	2.4
121.10142	12.0
123.08057	2.5
123.11694	2.2
125.05992	1.0
125.09624	1.9
126.59988	0.9
127.03927	1.6
129.06999	11.8
131.08554	13.2
133.06496	3.2
133.10126	14.2
135.08041	1.8
135.11687	2.2
137.09569	3.0
139.21318	1.1
142.07780	4.5
145.10121	2.5
147.07993	3.1
147.11681	18.7
149.09613	8.7
151.11133	2.4
157.10124	17.2
163.11162	2.1
165.12743	4.0
175.11183	19.1
184.07323	2.6
193.12227	56.0
211.13283	75.1
229.14301	1.9
249.14793	1.8
267.13004	1.9
267.15897	40.0
285.16953	82.8
286.17206	1.7
360.30994	1.3
367.22495	3.0
385.23788	3.6
403.24588	2.4
409.01480	1.0
410.42514	1.1
441.26324	1.9
459.27408	28.8
477.21494	1.0
477.28485	40.9
495.29523	100.0
496.29581	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	691.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74551	1.2
53.03936	2.8
53.66820	1.1
55.01876	2.7
55.05512	17.0
56.26393	1.2
57.03430	3.7
57.07067	4.8
60.52579	1.2
65.03947	1.6
67.05503	33.0
69.07065	15.0
70.19181	4.6
71.04977	2.0
71.08627	1.9
79.05489	18.5
81.03415	1.6
81.07059	28.7
83.04989	1.2
83.08615	9.1
85.06523	1.4
91.05475	20.5
93.07039	22.8
95.04985	2.8
95.08003	1.6
95.08603	22.7
97.06522	1.5
97.10181	5.2
98.98468	41.5
99.08132	1.1
103.05500	1.2
105.07028	18.4
106.03078	1.2
107.08591	13.7
109.10162	8.2
111.08083	1.8
115.05437	2.4
117.07008	9.0
119.08577	14.8
119.78957	1.1
121.10165	10.7
123.08086	2.5
123.11725	3.2
125.09628	2.1
128.06230	2.8
129.07002	14.0
131.08566	20.8
133.10114	9.7
135.08031	1.8
135.11661	6.0
141.07002	5.0
142.07790	4.7
143.08566	21.1
145.10126	18.1
147.11702	6.7
149.13271	2.3
151.14993	1.3
153.07031	2.3
155.01042	5.4
155.08537	15.1
156.09296	3.1
157.10121	18.2
159.11682	13.6
161.13295	3.5
163.11151	1.3
163.14859	2.1
165.12787	1.3
167.08620	5.0
168.09464	2.1
169.10126	16.9
171.11693	18.0
173.02118	3.2
173.13220	7.6
175.14870	2.4
179.08521	1.9
181.10133	8.5
182.10921	1.9
183.11708	16.2
184.12268	1.3
185.13228	12.2
187.14833	4.7
193.10139	2.8
195.11674	7.5
196.12570	1.4
197.13251	11.1
199.14845	9.4
201.16463	2.8
207.11743	1.3
209.13254	6.0
211.14819	8.8
213.16377	6.9
215.18062	2.1
221.13306	4.8
223.14896	4.9
225.16315	5.4
227.17937	5.7
229.19542	2.1
233.13312	1.6
235.14900	3.3
237.16446	4.2
239.17957	6.4
241.19604	2.5
251.17900	2.7
253.19579	3.9
255.21225	1.9
265.19540	2.5
267.20981	2.2
281.22702	2.1
293.18915	1.3
293.22687	1.5
295.20572	2.0
295.24133	1.3
313.21713	1.9
323.23993	1.4
339.23126	1.6
341.24966	1.4
351.26849	1.6
369.28003	1.2
381.28049	1.3
395.29269	1.9
409.30936	1.7
437.34036	2.0
465.37213	1.5
501.41110	3.7
519.42383	12.5
523.37982	1.5
537.43042	9.5
557.43585	2.4
575.44604	4.8
593.45612	96.4
594.46027	6.2
598.32886	1.2
611.46600	12.0
619.36169	1.3
673.42395	3.0
691.43304	100.0
692.43414	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	690.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
54.07283	0.8
55.01646	1.1
55.01875	7.1
55.05507	17.0
57.03194	1.2
57.03436	13.0
59.04988	3.5
61.02924	4.6
67.05502	17.4
69.03422	3.9
69.07083	5.5
69.37543	2.2
69.37952	6.3
71.01368	0.9
71.04972	4.7
73.02914	1.3
79.05490	23.3
81.02932	2.1
81.03412	41.5
81.07054	20.2
83.01337	4.3
83.04974	16.0
83.08163	1.4
83.08620	20.1
85.02900	18.7
85.06548	1.6
91.03980	1.4
91.05474	20.4
93.07044	17.4
95.04963	16.7
95.08597	8.6
97.02876	5.1
97.06520	4.0
97.10168	3.9
99.04462	2.6
102.19213	0.9
105.07028	16.5
107.04939	8.2
107.08604	10.7
109.02857	0.9
109.06509	5.1
109.10112	1.8
111.04417	3.3
111.08054	6.3
113.06024	1.7
115.05428	1.1
117.07005	3.8
119.08575	15.2
121.06509	3.1
121.10136	8.6
123.08036	5.2
125.06059	1.2
125.09612	1.5
129.07002	7.0
131.04837	0.9
131.08557	7.8
133.06505	2.4
133.10144	6.4
135.11720	5.3
137.09641	1.7
142.07805	1.6
145.10126	9.1
147.08028	2.9
147.11661	7.6
149.09612	3.4
153.12703	1.1
155.08517	1.1
157.10132	7.4
163.11166	12.0
165.08926	1.0
165.12761	2.3
173.09550	1.4
175.11188	8.2
181.12233	1.0
191.10655	2.3
193.12234	26.4
209.11752	3.0
211.13287	49.7
212.13589	2.2
227.12685	3.2
267.15930	10.8
283.15384	50.2
284.15692	2.4
285.16946	38.1
286.17331	1.3
383.22070	2.8
401.23212	1.2
457.25839	4.0
475.26822	14.5
493.27948	100.0
494.28458	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	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01871	3.9
55.05509	12.9
57.03198	1.1
57.03439	11.5
57.07065	0.8
58.52300	0.7
61.02912	1.7
61.99954	0.7
65.03922	1.3
67.05502	21.6
69.03416	3.4
69.07063	7.5
69.26688	7.2
71.04982	4.7
73.02903	2.4
79.05490	27.4
81.03415	38.2
81.07053	26.0
83.04976	10.4
83.08152	1.5
83.08614	17.7
85.02900	16.0
85.06538	1.6
91.05478	22.7
93.07040	36.5
93.64360	0.8
94.07305	0.8
95.04967	18.1
95.08604	31.4
97.02895	5.4
97.06522	4.1
97.10156	2.9
99.04455	4.5
99.08063	0.7
103.05460	1.0
105.07020	17.0
107.04955	11.1
107.08585	23.2
109.06529	4.4
109.10165	4.4
111.04439	2.9
111.08087	6.3
113.06001	1.6
115.05418	1.2
117.07028	6.7
119.08580	16.1
121.06475	4.9
121.10135	15.5
123.08059	1.6
123.11692	1.6
125.05968	2.6
125.09544	1.3
129.07008	7.2
130.07802	1.1
131.08580	6.7
133.06511	1.9
133.10106	8.9
135.08061	2.0
135.11684	37.8
137.09618	1.7
139.07547	1.7
142.07779	1.4
143.08499	1.0
145.10112	22.7
147.08055	2.7
147.11667	9.6
149.09592	4.2
151.07599	1.0
157.10132	11.2
163.11172	52.2
164.11586	1.1
165.12743	2.0
173.09596	1.0
175.11174	8.1
181.12209	9.9
191.10574	0.9
191.57611	0.7
193.12233	25.9
194.12631	1.1
209.11707	1.8
211.13281	34.8
212.13635	1.0
227.12770	62.2
228.13199	1.1
237.67354	0.7
267.15884	27.1
268.16202	1.8
283.15387	63.5
284.15726	2.3
285.16943	55.4
286.17352	1.3
313.64560	0.8
396.78793	0.8
457.25565	0.9
475.26910	30.2
476.27264	1.9
493.27948	100.0
494.28287	6.1
546.06244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15534	2.0
53.03938	9.6
55.01865	7.9
55.05507	34.1
57.03436	20.2
57.07074	5.2
61.02900	4.4
61.55934	1.9
65.03934	4.7
65.72379	2.1
65.87058	2.0
67.05502	73.6
69.03426	28.2
69.07064	19.8
70.27187	7.8
71.04996	10.0
73.02890	3.6
78.58040	2.1
79.05492	60.0
81.03414	100.0
81.07050	77.4
83.04984	24.7
83.08614	24.6
85.02884	22.0
85.06539	7.2
86.09708	3.6
89.01888	2.0
91.05475	59.9
92.38833	2.1
93.07040	60.5
95.04955	32.4
95.08598	42.7
97.02886	24.3
97.06496	10.4
97.10159	9.7
99.04471	7.9
99.08099	2.8
103.05422	2.8
105.07021	54.6
106.07362	2.9
107.04942	16.9
107.08589	34.8
109.02878	16.4
109.06526	10.1
109.10140	18.7
111.04417	9.1
111.08073	9.6
113.05996	3.5
115.05456	5.3
117.07012	21.8
119.08572	39.0
121.06497	8.3
121.10126	25.4
122.81499	2.0
123.04411	3.5
123.07993	4.8
123.11712	8.7
125.06027	2.7
125.09639	4.1
127.03889	10.2
127.26361	2.1
128.06189	5.8
129.05470	7.0
129.07002	30.0
131.04892	4.7
131.08560	31.9
133.06494	7.0
133.10101	25.1
135.08044	9.2
135.11676	15.1
137.06012	3.6
137.09628	4.1
137.13197	2.3
141.06987	5.4
142.07751	7.8
143.08565	21.1
145.06528	6.4
145.10097	27.3
147.08040	8.6
147.11682	21.4
149.09607	7.5
149.13251	9.2
151.11224	5.6
155.08582	9.4
156.09187	2.6
157.06512	5.3
157.10100	20.4
159.08046	6.6
159.11681	16.0
161.09641	6.2
161.13268	8.1
163.11198	6.8
163.14877	4.0
165.12772	8.0
167.08560	6.3
169.10164	10.9
171.08044	4.0
171.11673	13.4
173.04445	17.2
173.09532	4.2
173.13278	9.6
175.11108	10.9
175.14825	3.6
179.08534	2.8
181.10126	8.7
181.12198	5.2
183.08051	3.4
183.11668	7.9
184.07358	11.6
185.09590	5.2
185.13255	9.7
187.11179	3.6
187.14841	8.1
189.12758	3.1
191.10771	4.0
191.14270	2.7
193.12193	23.4
195.11685	6.5
195.13519	1.9
197.09637	2.6
197.13283	5.4
199.14828	3.1
201.12756	3.8
201.16441	2.8
203.14273	2.5
209.13268	2.7
211.11266	3.4
211.13202	34.8
213.16479	4.5
215.14357	3.5
215.17888	2.1
219.13841	2.2
221.13338	3.1
227.12685	5.2
229.16205	3.1
239.14366	2.7
239.18008	2.5
241.19498	3.5
242.20477	2.3
243.21077	5.0
259.20590	5.3
261.22137	4.7
267.15945	6.5
271.20465	2.8
273.22083	3.9
285.16992	9.2
291.19592	4.9
301.21689	2.9
309.22208	2.8
315.23260	4.3
317.24777	2.9
327.22900	4.0
333.24173	3.8
335.25769	3.9
339.23328	3.7
341.24722	5.1
351.22977	5.5
355.17612	2.4
369.24167	14.0
387.25256	4.7
405.26141	3.9
411.20059	4.4
435.32407	3.1
443.27762	7.7
453.33932	3.9
461.28815	2.8
471.34241	2.5
517.38916	4.0
525.35620	2.7
527.37207	38.7
543.35992	5.0
545.38361	8.5
617.37891	2.4
630.18774	2.3
635.39227	6.6
641.39905	4.2
653.40527	21.7
671.41602	21.1
689.42462	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	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20099	2.0
53.03949	11.7
55.01870	11.3
55.05507	43.5
57.03434	17.2
57.07074	5.2
60.68330	2.1
61.02916	5.9
65.03931	6.0
67.05502	85.7
69.03050	2.1
69.03429	40.2
69.07062	25.5
69.77139	13.1
71.01366	2.1
71.04974	10.1
71.08632	4.4
73.02909	6.2
79.05487	73.6
81.03413	100.0
81.07051	89.8
83.04972	23.8
83.08613	27.4
85.02901	24.7
85.06535	7.9
86.09710	8.5
91.03944	3.1
91.05475	70.0
93.07036	65.4
93.07630	2.3
94.07555	1.9
95.04971	39.8
95.08606	50.7
97.02897	21.9
97.06510	12.1
97.10157	14.8
99.04436	8.9
99.08118	4.5
103.03921	4.5
103.05463	4.3
105.04597	2.5
105.07029	58.6
107.04959	16.9
107.08582	34.5
109.02866	16.7
109.06540	10.3
109.10144	21.4
111.04433	13.0
111.08054	12.7
115.03915	4.0
115.05424	4.0
117.07017	26.3
119.04896	4.0
119.08574	47.9
121.06508	7.1
121.10135	27.6
121.87917	1.9
123.04436	3.7
123.08051	6.0
123.11724	7.7
124.91255	2.2
125.00018	3.0
125.09657	7.7
127.03943	9.8
128.06236	6.4
128.43132	1.9
129.05469	6.9
129.06995	29.1
131.04922	2.3
131.08557	43.8
133.05617	2.3
133.06456	11.6
133.10121	23.7
135.08046	6.4
135.11664	14.6
137.05974	4.1
137.09599	7.7
137.13261	2.1
141.06995	9.0
142.07745	4.8
143.08545	17.6
145.06488	10.8
145.10115	26.2
147.04359	3.0
147.08044	7.4
147.11682	25.2
149.05937	2.1
149.09631	9.3
149.13257	9.7
151.11206	4.3
153.07016	2.8
153.12756	3.7
155.08549	14.7
157.06514	4.9
157.10150	24.1
159.08087	6.2
159.11641	15.8
161.05980	2.7
161.09627	4.9
161.13246	9.0
163.11183	9.4
163.14828	2.8
165.12756	7.1
167.08553	8.9
168.88341	2.1
169.06438	2.1
169.10114	12.8
171.08073	7.4
171.11685	13.9
173.04462	12.2
173.09634	6.1
173.13284	11.5
175.11168	15.1
175.14816	5.0
177.12735	3.8
178.07764	2.2
179.08705	2.3
179.10806	2.2
181.10124	9.0
181.12210	3.7
182.10840	2.2
183.08061	3.0
183.11678	10.3
184.07332	26.5
185.07831	2.1
185.09665	4.9
185.13255	8.2
187.11139	5.9
187.14771	6.0
189.11237	2.5
189.12767	4.2
191.08852	2.1
191.10626	7.3
193.10345	3.8
193.12224	32.3
195.11693	5.0
197.09566	3.9
197.13252	11.3
199.11264	3.6
199.13129	2.4
199.14871	10.0
201.12741	4.7
201.16339	4.6
207.11821	3.3
209.09689	3.1
209.13297	4.1
211.11237	2.6
211.13223	41.5
211.14917	4.7
213.12782	5.3
213.16443	4.2
215.14337	3.5
219.11655	3.1
221.13232	2.4
222.26660	2.0
223.14864	4.9
225.12698	4.5
225.16409	6.6
227.12698	6.7
237.16417	3.0
239.14261	3.2
241.15933	3.6
241.19525	3.5
243.21100	4.9
249.16548	2.6
259.20609	4.8
261.22174	5.4
263.68604	2.2
267.15942	8.4
273.15051	2.0
273.18546	3.1
273.22021	2.7
275.20197	3.1
277.21664	3.1
285.16885	14.8
289.21619	2.9
297.22159	3.3
299.20276	2.4
301.21634	4.0
303.23212	3.5
311.23578	2.7
315.23386	3.8
317.24832	2.8
327.23340	3.0
336.11029	2.5
337.16492	3.2
339.22861	3.5
341.24835	6.2
351.23117	9.9
353.24783	5.1
369.24203	16.0
387.25302	7.3
389.27390	2.3
411.20047	2.7
425.26819	3.9
435.32404	6.0
443.27887	7.3
453.33551	6.2
461.29211	3.9
509.36026	3.6
525.34998	3.7
527.37335	53.9
529.38281	2.2
543.35956	3.2
545.38190	9.1
581.37860	2.5
599.39111	3.0
611.39386	3.4
623.38641	3.0
635.39069	8.6
641.40173	6.7
653.40454	32.4
671.41168	27.6
689.42529	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	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24827	1.0
53.03954	8.1
53.04164	1.8
55.01865	4.1
55.05510	19.7
57.03437	8.8
57.07062	2.5
60.08162	6.4
61.02924	12.2
65.03931	2.1
67.05502	41.6
69.03432	18.9
69.07066	16.3
70.18447	4.8
71.01367	2.4
71.04989	6.0
71.07369	2.4
71.08628	1.8
73.02907	6.4
79.05491	30.3
81.03417	39.3
81.07052	44.6
83.04984	12.6
83.08611	8.0
85.02899	11.6
85.06538	3.1
86.09706	33.5
87.10033	5.0
91.03961	5.6
91.05481	32.4
93.07042	36.4
95.04960	6.6
95.07987	1.7
95.08606	31.0
97.02890	19.1
97.06512	5.3
97.10172	4.4
98.21468	1.5
98.98457	6.1
99.04463	4.8
101.02390	1.1
103.05495	1.4
104.10728	1.2
105.06322	1.3
105.07030	27.5
107.04951	2.7
107.08585	19.3
109.02879	6.8
109.06514	4.0
109.10152	8.8
111.04438	2.6
111.08087	2.4
115.03909	1.4
115.05456	3.4
117.07011	14.7
118.26901	1.1
119.08582	21.9
121.06553	1.5
121.10148	13.1
123.08060	1.9
123.11705	4.6
125.00000	23.7
125.09655	2.3
127.03903	7.8
128.06235	2.9
129.05486	4.8
129.07004	15.2
131.08572	26.8
133.06438	1.7
133.10118	16.2
135.08051	2.5
135.11696	7.4
137.09586	1.6
141.06970	5.4
142.07791	4.0
143.08556	20.1
145.06467	2.5
145.10118	20.4
147.08014	2.6
147.11673	15.5
149.09567	2.0
149.13258	6.0
153.06976	1.6
154.07738	1.5
155.08546	14.0
156.09357	2.2
157.06473	1.3
157.10130	16.4
159.11684	14.0
159.12894	1.8
161.09581	1.3
161.13300	5.9
163.11165	1.3
163.14822	1.1
165.12770	4.2
167.08575	4.5
169.10152	13.6
171.08026	1.4
171.11696	14.1
173.04463	11.5
173.09599	1.2
173.13255	10.0
175.04608	1.3
175.11212	2.3
175.14839	3.1
177.12692	1.5
179.08551	3.3
180.09395	1.9
181.10133	7.0
183.11671	14.4
184.07336	100.0
185.07716	15.8
185.09496	2.0
185.13246	11.6
187.11182	1.6
187.14821	4.5
189.12788	1.3
191.10715	1.4
191.14299	1.5
193.10175	3.0
195.11674	8.5
195.13364	1.4
195.93137	1.2
197.09850	1.1
197.13229	8.8
199.11246	2.2
199.14836	5.5
201.12933	1.5
207.11774	2.6
208.12642	1.4
209.13303	6.4
211.11269	1.0
211.14951	5.6
213.12747	2.0
213.16464	2.3
219.11836	1.2
221.13290	3.3
221.22989	1.2
223.14825	5.1
225.16438	2.1
235.14787	2.7
236.27548	1.2
237.16397	3.7
239.14388	1.6
239.18024	1.4
241.19473	2.0
247.91571	1.1
249.16356	1.4
251.17996	1.4
259.20544	4.0
261.21945	3.1
265.19556	1.6
267.15976	3.9
301.21512	2.3
309.22250	2.2
311.20175	1.5
311.23608	2.3
315.23227	1.8
333.24213	3.3
335.25772	2.6
341.24625	1.6
351.23215	1.5
353.14105	1.1
411.20059	1.4
413.21915	2.3
417.31567	1.8
425.33932	1.2
429.50308	1.2
435.32404	8.5
453.33630	8.0
471.34613	1.7
491.35623	1.6
499.37827	1.8
501.35339	2.2
509.36234	7.3
517.38818	3.1
525.35681	4.6
527.37317	89.8
528.37775	2.6
529.38782	3.4
539.37201	1.7
545.38196	7.9
569.38330	2.5
591.43738	5.8
617.38086	1.5
635.39496	3.0
653.40179	4.7
671.42084	5.8
689.42395	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03760	1.6
53.03949	16.9
55.01868	7.0
55.05510	30.6
57.03440	19.1
57.07060	3.4
61.02920	10.1
65.03947	4.4
67.05505	84.1
69.03428	30.2
69.07069	23.6
69.24587	12.9
69.25009	7.0
71.01385	3.5
71.05000	12.5
73.02911	5.5
79.05492	68.9
81.03414	100.0
81.07054	89.0
82.07334	2.3
83.04981	22.6
83.08627	18.4
85.02905	16.9
85.06541	4.5
91.03960	4.1
91.05479	61.6
93.07041	72.0
95.04980	17.3
95.08601	46.9
97.02895	36.2
97.06522	10.6
97.10165	6.4
98.20725	3.8
98.21406	6.5
99.04473	10.3
99.08071	3.3
105.04519	2.5
105.07023	57.4
105.07708	4.2
107.04923	9.7
107.08586	38.7
109.02870	14.9
109.06520	9.0
109.10133	17.3
111.04459	8.1
111.08103	6.0
115.05519	2.8
117.07002	21.0
119.08578	40.4
121.06506	4.7
121.10141	29.5
123.04445	3.2
123.08082	6.2
123.11689	13.4
123.37504	2.0
125.09678	4.2
127.03921	15.4
127.07590	2.2
128.06216	6.6
128.53574	2.2
129.05466	8.1
129.06987	23.4
131.08586	31.1
133.06531	3.8
133.10114	28.0
135.08066	5.5
135.11690	18.7
137.09602	3.0
139.07585	1.8
139.11125	2.8
141.06985	4.7
142.07811	2.9
143.08566	23.8
145.06482	6.2
145.10110	28.7
147.08073	6.8
147.11671	32.2
149.09622	4.8
149.13239	12.3
151.11169	2.3
153.07047	2.2
155.08528	13.0
157.10115	18.1
159.08061	3.8
159.11684	23.0
161.09637	6.0
161.13217	12.5
163.11162	2.5
165.12793	7.0
167.08565	4.8
169.10110	14.6
171.11639	17.7
173.04437	21.4
173.09586	2.2
173.13283	9.6
175.11174	5.9
175.14899	4.7
177.12769	3.0
179.08598	3.1
181.10132	7.7
181.35492	2.2
182.10840	2.3
183.08032	2.4
183.11722	12.1
184.07452	2.3
185.09619	3.8
185.13231	9.7
187.14772	5.0
189.12825	2.4
191.10672	3.3
193.10286	2.2
193.12288	11.3
195.11743	6.0
195.13737	4.0
197.13290	10.1
199.14882	7.9
201.12740	2.4
209.13297	6.6
211.13306	16.3
211.14989	3.8
213.16447	2.6
221.13254	3.0
223.14789	4.2
225.16472	2.5
227.12695	2.3
235.14906	2.4
237.16472	3.0
241.19522	4.8
243.21054	3.9
257.19144	2.6
259.20569	9.3
261.22180	4.9
267.15903	11.4
269.17511	5.9
277.21613	2.8
285.16968	4.8
285.22101	2.3
286.28470	2.2
291.19672	2.6
297.22031	2.4
299.19989	1.9
301.21591	4.1
311.23550	2.5
315.23267	3.6
333.24265	7.4
335.26080	10.1
337.16516	2.2
339.23444	2.5
367.22745	4.1
369.24487	2.6
381.62039	2.2
391.81464	2.1
398.08279	2.0
411.20200	3.8
413.21640	6.8
417.31567	3.9
435.32623	9.1
453.33481	7.8
471.34644	4.0
509.36395	6.7
517.38983	4.1
525.35120	4.8
527.37317	91.3
528.37671	4.4
529.38580	2.6
539.37756	2.3
543.36371	2.1
545.38440	13.6
562.01965	2.5
569.37958	2.4
635.39508	3.5
653.40448	10.2
671.41211	18.9
677.30896	2.1
689.42407	68.3
690.43378	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.0
55.01855	6.4
55.05280	1.9
55.05516	28.6
57.03438	12.9
57.07065	4.0
61.02923	10.3
65.03922	2.8
67.05505	59.7
69.03433	29.8
69.07065	19.8
70.96239	4.1
71.01353	2.4
71.04992	11.4
72.02364	1.6
73.02902	6.6
79.05493	46.4
81.03418	73.4
81.07053	72.8
81.07535	3.1
83.04987	16.3
83.08621	13.0
85.02907	15.8
85.06528	3.4
86.09702	2.2
91.03944	4.2
91.05479	39.3
93.06500	3.1
93.07047	43.0
95.04958	12.2
95.08607	34.5
97.02898	30.9
97.06534	9.2
97.10143	5.5
99.04472	8.6
99.08108	4.0
105.07032	37.5
107.04939	5.0
107.08597	33.7
109.02878	6.6
109.06481	5.2
109.10143	15.1
111.04430	3.5
111.08085	3.6
115.05453	3.1
116.06207	1.9
117.07011	20.0
119.08589	34.8
121.06519	2.7
121.10133	27.2
123.04449	2.1
123.08057	3.8
123.11694	7.7
125.09623	2.9
127.03939	15.4
128.06238	3.6
129.05458	7.7
129.06998	18.5
131.08571	32.4
133.06534	3.2
133.10135	22.3
135.08078	3.2
135.11696	13.9
137.09605	2.4
141.06972	7.2
142.07788	3.0
142.61865	1.8
143.08559	21.3
145.06497	2.6
145.10121	27.7
147.08043	3.6
147.11710	26.0
149.09566	2.2
149.13269	8.4
151.67918	1.7
155.08540	13.5
157.10143	17.5
159.08037	2.8
159.11674	22.2
161.13245	8.0
163.11165	3.0
163.14693	3.6
165.07042	2.0
165.12764	7.0
167.08527	7.2
169.10104	12.8
171.11685	18.0
173.04443	13.7
173.13266	16.0
175.11182	2.7
175.14807	3.7
177.12755	3.7
179.08563	3.1
179.14299	1.7
181.10121	8.7
183.11714	14.7
184.07298	12.9
185.09657	2.6
185.13303	11.8
187.11226	2.9
187.14818	4.2
189.12767	1.9
193.10153	2.4
195.11714	8.0
195.13730	2.8
196.12326	1.8
197.13257	11.9
199.05939	2.8
199.11227	2.8
199.14828	8.5
201.12691	2.1
201.72226	1.9
207.11646	3.0
207.13638	1.8
209.13251	6.7
211.14804	5.7
212.74812	1.6
213.16432	3.9
215.17984	2.0
221.13278	3.3
223.14813	5.1
225.16342	2.6
227.14348	1.8
235.14836	2.3
237.16544	2.0
239.18051	2.5
241.19531	5.4
243.20998	2.7
257.19028	2.4
259.20468	8.5
261.22076	5.2
267.15884	6.9
269.17493	5.2
271.20636	2.2
273.18555	1.8
273.21939	2.4
285.17041	2.5
289.21875	2.5
294.84601	1.7
297.22107	3.0
323.23535	2.8
333.24289	5.3
335.25632	5.7
337.16235	2.0
339.18011	2.4
339.23135	2.0
347.24219	1.9
351.23117	3.0
385.23846	2.6
411.19992	2.4
413.21701	4.7
417.31366	4.1
425.34363	2.8
435.32538	13.2
438.99115	1.9
453.33597	7.6
471.34631	3.4
501.34988	2.0
509.36282	10.2
517.38739	4.7
519.32849	2.0
525.35614	4.8
527.37305	100.0
528.37695	3.8
529.38794	3.9
539.37054	3.2
543.35986	3.5
545.38525	11.6
617.37964	2.3
635.38940	5.6
653.40186	7.6
671.31165	2.1
671.41077	9.9
689.42523	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01853	4.9
55.05506	25.7
57.03423	12.1
57.07064	3.0
61.02930	10.5
61.87835	1.6
67.05496	58.7
69.03426	24.2
69.07066	18.3
70.65533	5.0
71.04993	11.7
73.02897	6.7
79.05486	42.4
81.03410	59.8
81.07047	67.1
83.04973	15.9
83.08620	11.4
85.02900	14.9
85.06525	4.1
91.03936	6.2
91.05474	45.1
93.07037	52.1
94.07410	1.7
95.04946	7.4
95.08598	35.7
97.02885	26.5
97.06518	7.2
97.10167	3.3
99.04424	7.1
99.08035	2.0
101.02408	2.4
105.04455	1.5
105.07024	38.6
107.04940	6.4
107.08590	28.5
109.02885	8.9
109.06474	5.7
109.10142	15.1
111.04424	3.6
111.08014	2.4
115.05424	2.7
117.07012	22.7
119.08575	29.0
121.06485	4.1
121.10134	21.0
123.08034	6.8
123.11693	8.3
125.09621	2.3
127.03930	9.7
127.04713	1.9
128.06189	4.9
129.05469	7.0
129.06984	18.3
130.07805	2.2
131.08546	33.5
133.06494	2.1
133.10110	26.3
135.08012	4.3
135.11690	12.0
141.06963	7.0
142.07811	4.2
143.08557	21.0
145.10109	24.5
147.08023	3.2
147.11682	23.9
149.09634	2.9
149.13197	8.8
153.06984	2.0
154.07719	1.7
155.08524	13.4
156.09329	1.7
157.06302	2.0
157.10112	19.2
159.07983	2.6
159.11690	23.7
161.09532	2.2
161.13254	10.2
163.11188	3.2
163.14825	1.8
165.06995	2.9
165.12695	6.3
167.08556	4.5
169.10124	15.9
171.08025	2.4
171.11685	17.8
173.04433	12.5
173.09741	2.6
173.12006	1.9
173.13226	11.4
175.11226	1.8
175.14824	3.9
177.12730	4.6
179.08513	4.2
179.14323	2.7
181.10185	8.4
183.11728	14.2
184.07359	2.1
185.09561	2.1
185.13223	11.0
187.11124	2.4
187.14819	6.8
193.10115	3.6
195.11659	6.4
195.13797	3.4
197.13226	12.2
199.06027	2.5
199.14854	5.9
201.16412	3.1
207.11676	3.0
209.13258	8.8
211.11324	2.3
211.14763	4.3
213.12657	2.2
213.16411	3.9
221.13239	5.0
223.14769	5.1
225.16231	2.4
237.16345	1.9
239.17996	2.4
241.19539	5.0
249.16405	2.4
255.17426	2.0
259.20517	9.5
261.22046	5.7
267.15747	8.8
269.17508	7.0
271.20572	3.4
275.19952	1.9
283.20609	2.2
285.16879	3.2
301.21805	3.2
309.21994	2.5
311.23337	2.1
313.21487	3.2
321.21951	3.0
323.23557	2.0
333.24319	3.8
335.25690	6.1
339.22952	2.3
351.23245	2.5
367.22644	3.7
413.21646	5.1
417.31464	3.7
435.32773	10.0
453.33389	7.2
471.34451	5.1
483.34714	2.0
509.35916	7.2
517.39044	4.1
525.35223	5.2
527.37317	100.0
528.37268	3.4
543.36688	2.5
545.38269	8.6
569.38239	3.4
617.37518	2.8
635.38940	6.1
653.40369	9.0
659.61096	2.0
671.41669	12.3
689.42511	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01858	6.2
55.05508	24.3
57.03425	10.0
57.07063	2.5
61.02933	12.1
65.03912	3.5
65.10239	2.2
67.05505	55.1
69.03427	23.4
69.07072	20.4
69.43934	2.1
71.04986	6.8
73.02903	5.3
75.03694	2.3
79.05491	34.9
81.03421	42.4
81.07056	54.5
83.04983	12.5
83.08617	12.4
85.02892	10.4
85.06539	4.4
86.09723	2.9
91.03938	3.0
91.05479	38.7
93.07039	44.0
95.04953	10.5
95.08598	30.7
97.02892	23.4
97.06528	5.8
97.09484	2.4
97.10184	6.2
98.98459	10.6
99.04424	3.2
99.08057	2.5
105.07031	37.9
107.08586	18.1
109.02859	5.3
109.06525	5.5
109.10171	13.8
111.04438	5.2
111.08057	4.6
113.28304	2.2
113.56489	2.3
115.05412	2.3
117.07014	17.4
119.08577	24.8
121.06514	4.3
121.10139	17.7
123.11681	6.1
125.00043	3.3
125.09566	2.5
127.03920	7.6
128.06227	3.4
129.05450	5.4
129.06979	17.6
131.08563	27.0
132.83179	2.3
133.10109	14.8
135.07977	3.0
135.11685	10.4
141.06960	6.4
143.08536	17.8
145.10114	22.2
147.07971	2.7
147.11674	17.2
149.09633	2.9
149.13281	6.8
155.08569	15.3
157.10138	17.9
159.08003	2.6
159.11703	18.4
161.09669	3.5
161.13286	6.1
165.12790	3.3
167.08572	7.6
168.09242	3.6
169.10159	13.3
171.11665	15.3
173.04491	11.5
173.13245	9.7
179.08551	3.9
179.72633	2.1
181.10130	10.5
183.11694	15.6
184.07323	13.4
185.13239	14.0
187.14865	5.1
193.10179	3.7
194.70877	2.5
195.11708	8.0
195.13388	2.9
196.12657	2.7
197.13210	11.1
199.14824	7.6
207.11578	2.4
209.13274	7.4
211.14879	6.0
213.16353	3.0
221.13214	3.6
223.14857	6.3
225.16306	5.7
229.16719	2.6
235.14651	3.0
237.16261	3.7
241.19504	3.4
241.88687	2.7
251.17981	3.2
259.20581	3.8
261.22214	4.8
267.15817	3.7
269.17523	5.6
277.21854	3.4
297.22116	3.2
324.47070	2.8
325.21652	2.8
335.25659	3.2
353.24609	3.6
435.32776	7.8
453.33798	4.7
471.34698	4.0
503.36823	2.7
509.36194	8.5
517.39746	7.9
525.35663	6.2
527.37299	100.0
528.37592	3.5
529.38922	3.6
545.38641	5.8
573.43176	3.1
591.44037	19.2
653.39874	6.8
671.41138	10.6
689.32214	3.2
689.42450	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01864	2.9
55.05512	21.7
57.03430	3.8
57.07069	3.2
58.75909	1.3
65.03947	1.8
67.05138	1.8
67.05502	33.8
69.03411	4.3
69.07067	18.3
71.01369	1.3
71.04993	3.2
71.08638	2.9
74.18210	1.5
79.05489	26.5
80.30842	1.2
81.03419	12.6
81.07056	36.2
83.04978	4.9
83.08624	10.4
85.02925	2.7
85.06545	2.1
86.09689	3.3
87.04483	2.9
91.05482	22.8
93.07043	24.9
95.04968	4.8
95.08606	27.8
97.02897	3.7
97.06545	3.0
97.10165	5.4
98.98463	36.1
99.04463	1.4
99.08089	2.9
103.05467	1.3
105.07032	21.7
105.65987	1.6
107.08573	17.2
109.02890	1.8
109.06519	2.5
109.10150	11.0
111.08080	1.6
115.05492	1.3
115.40887	1.5
116.99530	1.6
117.07011	11.0
119.08585	19.1
121.10155	9.3
123.08089	3.1
123.11690	1.8
124.99989	2.7
125.09637	2.6
127.03943	1.8
128.06219	4.5
129.05482	1.5
129.07008	14.2
131.08551	20.3
133.10120	14.6
135.11702	9.0
137.09700	1.5
141.06998	11.2
142.07773	4.0
143.08542	18.9
143.09584	1.8
144.09373	1.7
145.10114	19.7
147.11647	8.4
149.09554	2.2
149.13271	3.9
153.07027	4.1
154.07811	2.5
155.01093	5.0
155.08556	22.2
156.09309	2.4
157.10118	19.9
159.11679	13.7
161.09743	1.9
161.13292	4.6
165.07097	3.5
167.08577	12.1
168.09352	4.5
169.10124	22.0
170.10764	2.1
171.11671	15.2
173.02217	3.0
173.04500	2.1
173.13246	8.3
175.14816	3.0
179.08589	6.0
179.14330	2.1
181.10100	17.9
181.11432	1.6
182.10948	3.7
183.11673	24.2
184.07364	10.5
185.09557	1.6
185.13242	10.6
187.14883	5.0
189.16289	1.3
193.10156	8.0
194.10829	3.5
195.11688	15.5
196.12462	2.3
197.13235	18.2
197.14873	1.9
199.14775	9.0
201.16447	2.9
205.10065	1.9
206.10872	1.8
207.11716	8.0
208.12524	1.5
209.13228	13.3
211.14813	12.6
213.12738	2.0
213.16418	2.8
219.11653	3.6
221.13271	5.7
223.14767	12.2
225.16336	9.0
227.18056	2.7
233.13414	2.6
235.14861	5.8
236.15462	1.6
237.16377	8.3
239.14301	1.4
239.17876	6.1
241.19484	2.1
247.14949	1.7
249.16496	4.0
250.16692	1.4
251.18040	5.6
253.19569	4.0
261.16483	1.9
263.17938	2.3
265.19543	2.5
267.21060	2.3
275.18051	1.5
277.21912	2.0
279.21136	2.7
281.22571	1.9
295.20804	1.7
295.24387	1.4
297.22159	1.4
313.21613	2.5
325.21683	1.5
337.25394	1.7
347.23706	1.9
349.25360	3.5
351.22968	1.9
351.26877	2.1
361.25241	1.7
363.26682	2.2
365.24463	1.8
365.28638	2.3
379.26071	2.2
379.30347	1.6
381.27832	2.2
393.27798	1.7
407.29636	2.5
409.30783	1.8
417.31546	1.9
421.31097	2.5
435.32742	4.3
437.27512	1.6
447.32657	2.3
449.34158	2.8
455.03165	1.4
499.39346	4.0
505.39444	1.6
509.37009	1.7
517.40558	17.7
521.36621	1.4
523.37476	1.8
527.37439	13.0
535.41730	12.8
555.41956	2.3
573.43378	7.0
591.44037	100.0
592.44684	6.4
609.45068	9.2
659.89447	1.5
671.41321	4.0
689.41846	87.0
690.41968	5.2
692.21472	1.8
697.60522	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	689.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01865	0.9
55.05509	2.1
57.03424	1.3
57.07042	0.4
61.02928	3.1
62.29733	0.3
65.03944	0.4
67.05502	6.4
69.03424	3.6
69.07056	1.3
70.11063	1.6
71.01338	0.5
71.04976	0.8
73.02924	2.7
79.05492	7.9
80.05781	0.3
81.03416	4.3
81.07047	5.1
82.03739	0.6
82.07377	0.3
83.04968	2.2
83.08620	1.5
85.02902	3.5
85.06519	0.3
87.04447	0.5
91.03938	1.5
91.05471	6.3
93.07043	6.1
94.07402	0.6
95.04958	2.7
95.08597	3.4
97.02885	3.1
97.06502	0.5
97.10163	0.9
99.04443	0.9
101.02370	1.1
103.03930	0.4
105.07016	4.9
106.07322	0.4
107.04940	1.1
107.08588	2.1
108.08926	0.4
109.02855	0.9
109.06508	0.9
109.10133	1.3
115.03930	0.6
117.06979	1.6
119.08604	3.1
120.08947	0.3
121.06492	0.6
121.10128	0.8
123.08038	0.7
127.03937	1.1
128.06201	0.4
129.07014	2.1
131.08572	1.6
132.08940	0.4
133.10129	2.1
135.11679	0.7
136.68080	0.3
137.09540	0.4
139.09457	0.3
141.06967	0.3
143.08522	1.7
145.10139	1.6
147.07977	0.5
147.11664	3.5
148.12027	0.3
149.09566	0.4
155.08540	0.5
157.10115	0.9
161.09569	0.4
161.13272	1.3
167.08621	0.4
169.10127	0.7
171.11662	2.8
173.13187	0.4
184.12093	0.6
189.12709	0.6
193.12244	0.5
197.13179	0.5
203.05328	0.5
207.13806	0.9
211.13260	0.8
212.13629	0.4
243.08403	2.5
247.13025	2.0
281.17548	0.4
281.52588	0.3
303.15674	1.1
369.23907	0.3
387.23813	0.3
465.20926	16.3
526.36115	0.5
527.29712	0.4
527.36389	1.7
540.20349	0.4
653.39569	0.7
671.39948	0.9
689.34882	100.0
690.35553	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	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05515	6.3
57.03429	2.8
57.07072	1.6
60.08146	1.4
61.02913	1.2
67.05500	12.0
69.03416	2.6
69.07059	4.1
69.45394	6.8
71.05002	1.8
71.08593	1.0
79.05486	10.1
81.03408	9.4
81.07047	12.5
83.04961	3.7
83.08612	2.5
85.02894	2.1
86.09701	4.5
87.86570	0.9
90.56120	1.0
91.05467	10.8
93.07042	10.4
95.04961	4.0
95.08586	7.5
97.02878	3.4
97.06535	1.6
98.98439	1.5
105.07018	7.7
107.04964	2.5
107.08593	6.9
109.02857	1.5
109.06514	1.7
109.10147	5.1
111.04417	1.2
111.08157	0.9
117.07008	3.6
119.08554	6.8
121.06493	1.1
121.10174	5.1
123.11749	1.8
124.99998	3.4
125.09569	0.9
127.03889	1.2
128.06183	1.1
129.06972	3.7
131.08563	5.7
133.10080	4.9
135.11697	4.0
141.06958	1.6
143.08537	2.3
145.06519	1.4
145.10123	4.6
147.07951	1.1
147.11679	3.5
149.13322	1.5
155.08589	1.3
157.10130	2.2
159.11694	3.3
161.13239	2.3
163.11275	1.3
169.10083	2.3
171.11717	3.4
173.04486	1.4
173.13324	2.3
179.14330	2.3
184.07349	17.9
185.07681	1.6
185.13228	1.9
189.16347	1.6
193.10059	1.1
193.12097	1.0
195.11699	1.9
197.13272	1.3
201.16408	1.7
209.13379	1.1
211.15062	1.0
223.14949	1.0
267.16055	1.2
275.19766	1.0
277.21671	1.4
284.45691	1.0
291.19571	1.3
307.28207	1.1
335.25867	1.3
370.10538	1.3
380.65427	1.0
384.12204	3.3
385.13153	5.5
386.13873	1.8
397.12854	2.3
398.13815	7.6
399.14447	12.4
400.15506	23.6
401.16019	2.7
409.59586	1.1
411.14453	3.2
412.15292	8.6
413.16049	18.9
414.16870	12.5
416.14859	2.0
418.17612	2.3
426.16763	3.3
427.12711	1.4
427.18271	13.9
428.18539	18.1
429.19440	14.4
435.32465	1.5
440.14697	1.3
441.14563	4.7
442.16226	13.4
444.13528	1.3
445.19162	1.4
446.16949	1.6
455.17166	37.6
456.17783	15.4
457.14334	1.3
458.15811	3.9
459.16617	6.4
460.16992	1.2
469.15170	3.7
470.19232	2.2
472.17484	1.7
473.18442	1.6
481.14587	1.6
482.15952	1.7
483.16626	30.4
484.16653	3.3
486.19235	1.9
487.03693	1.1
487.16101	4.0
488.16589	3.0
495.16592	2.2
496.16864	1.4
498.18240	1.0
499.16168	7.6
500.17365	1.5
501.17551	1.5
503.36899	1.1
511.19452	4.1
515.19073	2.1
523.15601	2.0
527.15527	27.0
527.37238	9.3
528.15472	6.2
538.17999	1.2
539.19159	10.7
540.19458	1.5
541.20508	1.7
543.22449	18.9
544.22937	1.3
545.37878	1.5
555.18793	1.6
569.20270	1.3
571.21875	100.0
572.22046	10.4
574.24274	8.5
576.74005	1.1
586.20398	2.6
587.21204	1.6
601.23206	8.1
602.23718	42.8
603.23743	4.4
614.19434	1.5
615.21149	5.1
617.25977	2.9
629.22394	35.5
630.22821	23.7
631.22339	1.8
633.25531	1.7
657.21881	57.5
658.22150	4.9
661.24915	5.5
671.40741	1.8
689.24475	16.0
689.42163	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	688.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01873	3.3
55.05507	19.3
57.03431	12.0
59.05006	1.2
61.02921	1.8
62.37841	1.0
65.03931	2.6
67.05501	45.9
69.03421	3.3
69.07066	11.7
69.80432	6.6
71.04994	5.6
73.06548	2.1
74.37990	1.2
77.03922	1.3
79.05486	62.9
81.03413	54.6
81.07051	40.2
83.04980	20.1
83.08612	19.6
85.02894	19.4
85.06514	2.3
91.05475	56.5
93.07034	55.5
95.04958	30.4
95.05562	1.8
95.08599	26.3
97.02873	3.6
97.06501	5.5
97.10180	3.9
98.20844	2.0
99.04470	1.4
103.05466	1.1
105.04507	2.1
105.07021	37.0
107.04948	10.2
107.08571	14.5
109.06500	8.3
109.10152	6.0
111.08076	8.0
111.80163	1.4
113.06007	1.6
115.05455	1.8
117.06991	7.3
119.07716	1.5
119.08574	29.2
121.06480	3.2
121.10146	9.7
123.08083	5.6
125.09595	1.2
127.07531	2.0
128.06200	2.1
129.06998	17.3
131.08563	10.6
133.06448	2.9
133.10121	13.8
135.11716	1.4
137.09630	1.9
142.07742	2.2
143.08560	6.5
145.10150	6.9
145.45044	1.1
147.08032	4.8
147.11674	36.1
149.09628	3.0
157.10123	12.5
159.11520	1.4
161.09612	1.6
161.13245	8.3
163.11147	1.3
165.12790	1.8
171.11655	21.0
171.12984	2.0
175.11156	9.9
189.12755	6.8
193.12236	32.0
207.13780	20.6
211.13284	40.0
225.14899	1.6
227.73488	1.1
249.14896	1.4
267.13010	1.9
267.15918	40.4
268.16229	1.1
281.17462	57.5
282.17776	2.1
285.16946	37.2
286.17355	1.9
287.16437	1.0
455.27817	1.8
473.28964	100.0
474.29251	8.5
491.30002	76.4
492.30249	4.3
499.75696	1.1
519.88251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.62870	0.6
55.01868	6.4
55.05274	0.8
55.05511	10.2
57.03435	8.8
57.07066	1.1
57.66795	0.7
59.04988	1.7
61.02912	3.3
65.03925	0.7
67.05506	10.0
69.03410	2.7
69.07070	4.9
69.77644	0.9
69.78050	2.5
71.04976	2.4
73.02911	1.3
73.73867	0.6
79.05491	16.1
81.03421	8.6
81.07056	16.5
83.01337	6.5
83.04983	9.1
83.08622	8.3
85.02909	6.8
85.06535	1.1
87.74029	0.6
89.89355	0.7
91.03937	1.5
91.05477	10.4
93.07042	21.0
95.04971	6.1
95.08614	6.6
97.02884	4.2
97.06535	4.3
97.10162	1.2
97.28767	0.7
98.21440	1.1
98.53451	0.7
99.04456	2.8
105.06402	0.9
105.07034	10.1
107.04951	9.4
107.08609	10.7
109.02882	1.0
109.06519	6.7
109.10133	2.4
111.04461	1.8
111.08076	1.7
111.11691	0.7
115.05460	0.9
117.07005	6.6
119.08575	6.5
121.06498	3.9
121.10134	7.2
123.04396	1.1
123.08065	8.1
123.11684	0.9
125.05984	2.0
125.09644	0.9
129.06970	1.5
130.07773	1.0
131.08574	3.0
133.10114	2.8
135.08064	1.7
135.11687	9.4
137.09557	1.1
139.07561	1.0
143.08553	1.2
145.06454	1.8
145.10112	11.7
147.08022	2.0
147.11771	0.7
149.09610	1.0
153.12753	2.2
155.08502	1.0
163.11172	19.8
165.09026	0.8
169.10114	0.8
173.09662	2.5
181.12245	3.6
182.80455	0.6
190.28308	0.6
191.10677	3.1
209.11674	5.6
216.42586	0.7
227.12737	3.0
267.15839	0.8
269.03131	0.6
281.17416	0.9
283.15399	100.0
284.15714	2.0
285.16620	0.8
329.63861	0.6
390.81915	0.7
393.07861	0.8
491.26263	47.7
492.26697	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	688.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02886	1.0
67.05476	1.0
69.03387	2.8
69.07026	1.2
70.06546	2.5
70.66900	1.2
70.67233	1.4
71.04970	1.4
79.05473	1.6
81.03374	1.1
81.05751	0.7
82.06551	1.3
85.02902	4.1
91.05431	2.1
93.05700	0.7
93.07038	6.4
94.06564	5.7
95.04930	1.5
95.07348	6.6
95.08570	1.1
96.08125	15.1
97.02863	1.1
97.06497	1.4
103.05437	1.0
107.07300	1.4
108.04406	0.9
108.07446	0.7
108.08110	7.5
109.02817	1.2
109.08862	1.1
110.06007	1.1
110.09676	31.6
120.07288	0.9
120.08097	17.8
121.06525	0.9
122.09618	2.1
123.04387	1.3
127.03883	1.0
136.07578	3.6
137.05894	0.7
137.08331	1.4
138.09132	37.8
139.09445	0.9
140.06996	1.0
146.06000	0.9
148.07578	5.2
150.09137	7.6
151.03764	0.7
165.05388	0.6
166.08632	74.5
168.10051	0.7
177.05450	1.4
189.05455	0.8
189.10139	0.7
199.08667	2.9
199.12323	0.7
200.09381	1.0
201.10190	0.7
204.06599	1.1
207.06471	1.1
211.08597	3.6
211.12059	0.8
212.09344	1.1
213.06575	1.8
213.10223	3.9
225.06558	0.9
225.10211	3.6
227.08267	1.3
227.11740	5.2
229.09634	1.9
239.11783	5.0
240.08711	0.9
241.05891	0.6
241.09711	4.5
241.13293	0.9
242.10522	1.6
245.12862	13.7
251.08122	0.6
253.09637	5.1
254.10466	1.0
255.11252	16.7
257.13031	0.7
267.11246	11.1
268.12085	0.7
269.12827	1.0
273.12344	2.2
283.10754	11.6
285.09207	0.8
285.12234	4.1
287.10214	1.0
295.10782	4.3
297.12210	1.5
299.10153	1.0
301.11819	28.6
303.04739	1.1
311.10300	1.5
313.11804	21.9
314.12045	0.9
320.09186	2.3
323.10229	3.4
325.12137	0.8
329.11304	19.7
341.11221	8.4
343.12888	1.0
347.12451	0.9
355.12909	1.1
361.13916	100.0
362.14154	2.0
373.13895	11.9
420.19223	2.0
448.18787	2.7
450.20343	0.8
466.19855	3.8
476.18286	1.9
480.21194	0.7
494.19229	11.8
508.20749	9.4
526.21826	87.0
527.22241	2.8
688.23663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01868	1.1
66.76055	1.0
67.05503	1.5
69.03419	3.7
69.07063	1.2
71.04977	1.0
71.52113	1.3
79.05515	1.9
80.05020	1.7
81.03420	2.6
81.07008	1.2
82.06581	2.5
85.02894	6.3
89.77986	1.0
91.05464	4.7
93.07037	8.2
94.06562	8.4
95.04960	1.4
95.07333	8.9
95.08609	1.9
96.08128	19.4
97.02866	3.9
97.06528	1.9
99.04439	1.2
103.05453	1.8
107.07328	2.3
108.04471	1.1
108.08096	13.1
109.02864	1.4
109.06456	1.0
109.08858	1.3
110.06037	1.4
110.09673	35.1
115.05458	1.1
119.04936	3.4
120.04515	1.0
120.08092	24.3
121.06490	1.5
122.06037	2.1
122.09675	2.9
123.06794	2.2
135.04416	1.0
136.07556	5.8
137.02264	0.9
137.05923	1.3
137.08331	2.8
138.09125	46.2
146.05989	2.6
147.04404	2.6
148.07565	8.4
149.07912	0.9
150.09125	10.8
151.03902	7.6
152.07056	1.1
154.08626	1.2
163.03941	1.1
166.08630	100.0
167.08981	1.0
168.06558	2.3
170.40665	0.9
172.03906	4.0
175.03946	5.2
182.15398	1.0
190.04979	2.0
197.41924	1.1
198.07683	1.4
199.08719	5.0
200.09348	1.3
204.06570	5.6
204.31421	1.0
206.08107	4.0
207.06525	7.2
211.08630	13.5
212.09450	3.5
213.06546	3.1
213.10172	6.9
223.12418	1.0
224.09299	1.8
225.07535	3.3
225.10220	10.7
226.10799	1.2
227.08165	2.0
227.11725	6.0
229.09731	3.0
237.10295	1.6
239.08127	2.4
239.11760	10.3
240.08897	2.9
241.09763	4.8
242.10468	1.2
245.12857	8.6
249.10056	1.4
251.11676	1.4
252.09045	1.7
253.09720	11.8
254.10439	3.2
255.11269	18.3
256.11798	1.2
257.12781	1.3
265.09528	1.3
267.11273	15.9
268.12024	2.5
269.12799	2.2
273.12216	1.5
283.10727	15.9
285.12308	11.6
287.10333	2.5
295.10760	9.1
297.12311	4.0
299.10159	2.9
301.11826	24.3
303.04968	2.7
307.10715	1.4
311.10226	3.8
313.11783	49.6
314.12161	2.2
321.14716	1.5
323.10254	14.1
325.11823	3.5
329.11292	37.8
341.11313	22.1
342.11438	1.5
343.12897	3.1
347.12164	1.6
355.12808	2.4
359.12540	1.9
361.13898	97.2
362.14456	2.7
373.13959	19.5
420.19290	1.9
448.18552	3.6
450.19882	1.6
452.18137	1.8
466.19717	5.2
476.18134	7.3
480.21323	1.5
494.19235	60.8
508.20792	25.2
526.21796	83.0
527.22040	3.4
591.11273	1.1
638.23468	1.5
656.24561	2.4
688.26941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
53.03942	12.8
55.01873	9.9
55.05242	2.0
55.05510	36.7
57.03432	6.0
57.07078	3.3
61.02931	3.3
65.03944	5.8
67.05136	3.5
67.05502	72.5
69.03429	26.7
69.07067	34.0
71.04980	10.4
71.12288	2.3
71.12615	2.7
73.02928	4.0
79.05491	69.8
81.02933	2.5
81.03417	58.6
81.07053	100.0
83.04976	16.9
83.08615	17.7
85.02896	9.4
85.06525	4.5
91.03971	2.0
91.05478	74.1
93.07037	58.0
95.04955	20.7
95.08599	41.7
97.02882	20.9
97.06512	15.2
97.10171	5.9
98.98522	2.0
99.04460	6.4
99.08108	3.9
103.05468	4.0
105.07028	59.1
107.04953	16.2
107.08583	40.1
108.34843	1.7
109.02887	11.3
109.06507	12.8
109.10149	16.2
111.04467	7.8
111.08101	6.3
115.05482	6.1
117.07015	30.5
117.07763	2.6
119.08574	39.3
121.06529	9.2
121.10118	20.7
121.10804	1.9
123.04428	3.1
123.08094	6.8
123.11727	6.3
125.09646	5.7
127.03924	9.0
128.06245	6.4
129.05522	2.7
129.06999	19.5
130.07814	3.4
131.04919	3.0
131.08565	34.7
133.06512	5.4
133.10121	30.9
135.08038	8.3
135.11694	16.4
137.05949	3.0
137.09621	4.2
139.11182	1.9
141.06987	5.3
142.07790	3.9
143.08554	15.7
144.96448	2.0
145.06497	6.6
145.10124	23.8
147.08083	6.3
147.11678	19.7
149.05988	2.2
149.09598	12.5
149.13248	13.0
151.11209	3.2
153.06979	2.5
155.08606	7.8
157.06561	2.4
157.10149	11.5
159.08057	5.6
159.11694	26.2
161.09630	5.6
161.13286	4.9
163.11194	7.9
165.12781	2.7
167.08591	5.1
169.10144	10.0
171.08087	3.2
171.11697	15.1
173.04503	7.9
173.05869	1.8
173.09624	4.0
173.13222	8.4
175.11154	2.8
175.14893	2.0
177.09204	1.7
177.12801	7.1
179.08551	3.3
179.14348	6.5
181.10136	4.5
183.06480	1.8
183.11635	9.8
184.07402	2.4
185.09593	3.3
185.13307	7.6
187.11215	4.7
187.14793	3.2
189.11255	2.9
189.12766	3.0
193.12299	2.4
195.11748	5.4
195.13818	7.1
197.09641	2.4
197.13318	5.9
199.11415	3.0
199.14928	2.9
201.16481	1.8
207.11676	4.8
209.13330	4.1
211.11372	2.5
211.14909	3.7
213.12892	2.2
213.69315	1.9
215.17958	3.4
219.13814	2.5
221.13422	2.2
229.19446	3.6
231.13843	3.1
233.13362	2.8
233.15480	2.0
239.17984	4.2
247.20619	3.0
249.14900	3.7
257.15424	2.8
257.19055	15.5
259.20459	2.0
267.16086	5.7
269.17480	10.7
275.17014	3.9
275.20056	52.7
293.21204	3.4
303.16058	4.1
313.21622	2.6
321.16995	3.0
331.22586	3.4
339.18112	7.1
349.23810	11.5
365.20880	2.9
377.19608	3.9
377.24158	2.1
381.80948	2.1
383.22226	3.3
395.20822	6.9
401.23279	2.6
433.31061	3.3
451.32190	3.0
469.32852	2.5
475.27454	2.7
525.35706	18.3
543.36774	12.7
589.41913	3.3
609.38336	3.0
633.38257	2.8
651.38824	5.9
669.39795	10.6
687.40918	88.0
688.41681	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	687.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39476	2.4
51.43424	2.2
53.03939	11.9
55.01876	13.9
55.05508	39.4
57.03434	20.0
57.07064	4.2
57.43085	2.2
59.05017	3.3
61.02928	11.4
65.03942	5.1
67.05504	72.6
69.03427	42.7
69.07061	35.5
70.66144	5.2
71.01359	5.0
71.04990	13.3
73.02911	8.4
79.05494	70.3
81.02933	4.9
81.03417	100.0
81.06602	4.1
81.07057	75.1
81.07529	4.5
83.04987	25.5
83.08617	24.1
85.02898	29.5
85.06527	6.8
87.04478	2.6
91.03942	6.5
91.04916	4.0
91.05479	74.4
93.06497	3.8
93.07050	59.2
95.04967	40.0
95.08602	43.6
97.02890	23.9
97.06515	6.9
97.10152	12.9
99.04469	8.3
99.08121	3.5
101.02369	2.9
103.05465	4.8
105.07035	69.3
107.04964	14.3
107.08597	32.1
109.02860	12.4
109.06501	12.2
109.10151	17.8
111.04455	13.5
111.08096	14.7
113.06023	2.6
115.05452	9.3
117.07011	36.3
119.08576	50.9
119.09383	4.1
120.16988	2.3
121.06487	9.4
121.10136	23.9
123.08043	6.6
123.11733	4.4
125.09592	5.2
127.03909	11.6
128.06201	11.4
129.05476	6.2
129.07004	37.1
130.07794	4.8
131.08572	43.4
133.06503	6.6
133.10112	30.8
135.08043	10.1
135.11707	10.3
137.09639	6.6
141.06958	12.8
142.07761	10.6
143.08559	32.0
144.09286	2.4
145.06493	6.7
145.10124	29.6
147.08073	7.1
147.11667	30.9
149.05948	2.9
149.09621	7.7
149.13249	4.4
153.07021	3.2
153.12743	3.8
154.07787	4.6
155.08553	25.5
156.09340	5.0
157.06500	4.8
157.10130	34.8
159.08034	6.9
159.11694	21.9
161.06026	2.4
161.09645	6.0
161.13237	7.3
163.11168	8.0
165.05397	2.5
165.06989	4.4
165.12788	5.1
167.08539	12.6
168.09258	4.4
169.06494	3.1
169.10123	28.6
171.08038	5.4
171.11682	26.8
173.04506	15.8
173.09555	3.9
173.13249	13.8
175.11172	17.0
179.08582	9.2
181.10141	18.5
181.12144	5.6
182.10861	3.7
183.11696	22.8
185.09637	7.3
185.13199	12.0
187.11111	4.9
187.14827	2.6
189.12802	3.1
191.10611	6.0
193.10132	10.4
193.12241	23.7
195.11674	19.7
197.09613	9.1
197.13260	18.4
199.11140	8.4
199.14870	6.9
205.10023	3.3
207.11722	9.7
209.09668	3.5
209.13293	12.2
211.11136	6.3
211.13272	39.0
211.14922	8.5
213.16418	3.0
219.11742	4.6
221.13245	6.1
223.11118	4.4
223.14844	7.5
225.12814	4.1
227.12656	4.3
231.13792	3.5
233.13290	4.7
235.14873	8.9
237.16455	4.8
239.17918	4.4
241.19612	3.3
253.19319	2.9
257.18927	6.0
259.20630	8.1
267.16013	9.0
271.20645	3.2
275.20047	6.0
283.20511	3.9
285.16943	14.3
293.18912	3.2
293.96100	3.0
295.20557	4.5
297.22086	3.1
299.20166	3.6
301.21674	3.8
307.20486	3.7
311.20316	3.0
313.21649	5.4
315.23126	3.7
321.22137	7.9
323.19925	3.4
325.21591	5.6
327.22989	3.5
335.23627	3.0
339.23221	8.3
349.21713	8.6
367.22659	16.3
381.24057	3.0
385.23654	8.3
415.30252	2.8
423.24896	3.2
433.31033	9.9
441.26480	7.8
451.32156	8.9
459.27243	7.8
469.33527	3.4
507.34494	8.4
515.37079	4.3
523.33716	5.2
525.35736	85.3
526.36011	3.5
537.35693	4.1
543.36676	10.6
567.36420	5.0
579.37482	2.8
595.35803	3.6
609.37769	6.3
633.37659	8.0
639.38702	5.9
651.38776	31.9
669.39941	34.0
687.40936	73.0
688.40894	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	687.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60897	1.6
53.03944	12.4
55.01871	9.9
55.05511	35.6
57.03434	16.2
59.04999	2.3
61.02915	4.4
65.03944	5.2
67.05501	62.9
69.03429	34.5
69.07066	25.1
71.04987	10.4
73.02910	3.6
76.00974	1.8
78.80405	1.9
79.05492	63.6
81.03415	100.0
81.07053	66.6
83.04980	24.0
83.08620	20.5
85.02898	25.8
85.06562	3.0
91.05473	70.3
91.06024	4.4
93.07037	51.4
95.04964	27.0
95.08604	37.4
97.02893	20.4
97.06532	8.6
97.10173	12.4
99.04458	7.4
99.08087	2.4
101.02369	2.4
103.05485	5.0
105.07025	59.9
105.07698	3.9
107.04963	18.8
107.08585	32.1
108.71832	1.8
109.02874	17.5
109.06499	10.7
109.10149	15.6
111.04448	12.9
111.08074	7.3
113.05992	3.6
115.05484	7.1
117.07011	25.3
119.08572	48.6
121.06507	8.4
121.10131	23.6
123.08072	7.0
123.11720	6.0
125.09628	4.8
127.03902	12.1
128.06235	7.1
129.05492	5.2
129.07005	30.7
131.04941	5.4
131.08551	37.9
133.06508	7.9
133.10133	24.7
135.08067	8.5
135.11705	10.8
137.06023	3.2
137.09624	3.7
139.11226	2.1
141.06940	10.2
142.07735	5.2
143.08554	23.9
144.09279	2.1
145.06485	8.9
145.10115	29.7
147.08093	6.7
147.11674	27.4
147.12665	2.6
149.08604	2.2
149.09540	12.1
149.13268	4.8
153.06944	3.6
153.12793	2.7
154.07819	5.3
155.08542	20.4
156.09384	3.8
157.06487	3.1
157.10115	26.9
159.08081	7.0
159.11671	18.5
161.09610	5.3
161.13289	7.1
163.10062	1.8
163.11166	10.5
165.07036	4.4
165.12787	5.7
167.08623	8.4
168.09360	2.8
169.06450	3.1
169.10109	20.8
170.10773	2.4
171.08089	8.8
171.11670	19.0
173.04459	21.2
173.09657	7.8
173.13252	13.5
175.11131	12.3
175.14778	2.8
178.07744	2.3
179.08568	7.3
181.10156	16.0
181.12144	3.2
183.08084	4.2
183.11688	14.9
185.09705	6.3
185.13206	14.7
187.11234	4.5
187.14886	4.2
189.12772	3.6
191.08824	1.9
191.10692	5.9
193.10211	6.3
193.12286	31.0
195.08151	4.6
195.10170	1.9
195.11644	10.2
197.09668	5.8
197.13258	11.1
199.11224	6.3
199.14871	6.6
201.09225	2.2
201.12775	4.2
203.10680	2.1
203.14369	3.6
205.10210	3.2
207.11732	6.5
209.09741	2.3
209.13298	10.4
211.11290	2.8
211.13345	35.1
211.14899	5.0
213.12891	5.0
215.14348	3.2
217.12282	2.3
219.11775	2.1
221.13301	6.2
223.14909	4.8
225.12979	2.4
227.10822	2.6
227.12854	5.5
231.14034	2.7
237.12698	2.9
239.14369	2.2
239.17938	3.5
241.19527	3.9
251.14499	2.1
257.19098	4.9
259.20633	9.6
267.15710	10.3
271.20651	5.4
275.20062	2.7
283.20615	3.3
285.16779	10.2
295.20657	3.6
297.22110	3.6
297.52917	2.1
299.20184	5.7
301.21808	3.3
311.20203	3.8
313.21786	6.8
315.23236	3.1
321.22250	3.9
323.20050	2.2
323.24045	2.1
325.21680	7.7
337.21725	4.9
339.23325	6.6
343.22617	2.8
349.21652	10.4
351.23260	5.4
355.17487	2.2
367.22693	16.7
369.24246	4.1
385.23877	9.1
423.25430	4.6
433.31018	4.7
441.26352	9.3
451.32034	7.0
459.27667	6.6
469.33612	3.3
507.34528	3.7
515.37183	4.0
525.35736	43.3
541.34894	3.2
543.36755	8.6
567.37500	2.5
615.36273	3.0
633.37970	6.1
639.38983	4.9
651.38873	25.1
669.39868	27.5
687.41003	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
53.15849	1.8
55.01879	11.9
55.02083	2.1
55.05509	42.8
57.03433	19.6
57.07061	2.2
60.58270	2.2
61.02919	6.7
65.03916	4.0
67.05500	77.2
69.03427	40.8
69.07064	23.2
70.19657	11.0
71.01299	2.0
71.04989	12.3
72.23901	1.9
73.02896	7.6
74.19042	2.2
77.03914	3.6
79.05489	67.8
81.03415	100.0
81.07053	78.5
83.04976	30.2
83.08609	27.2
85.02908	27.0
85.06541	8.3
91.03945	5.1
91.05475	82.6
93.06483	3.8
93.07039	50.4
95.04962	41.3
95.08605	44.9
97.02881	25.8
97.06545	11.5
97.10155	10.2
99.04453	10.6
99.08052	2.8
103.03926	3.2
103.05453	4.6
105.06311	4.8
105.07022	71.6
107.04964	19.7
107.08591	32.0
109.02894	19.5
109.06504	9.6
109.10116	15.7
111.04434	15.9
111.08088	11.5
112.20788	2.0
115.05437	8.5
117.06998	29.7
119.04944	4.0
119.08569	49.7
120.05753	2.2
121.06504	8.4
121.10130	28.0
121.52060	2.4
123.04459	2.6
123.08073	8.8
123.11675	5.6
125.09667	5.2
127.03904	9.7
127.07592	2.3
128.05417	2.2
128.06172	11.9
129.05482	5.4
129.06998	35.3
130.07774	4.1
131.04912	6.9
131.08563	43.6
133.06474	9.8
133.10123	33.5
135.08041	8.9
135.11652	14.0
137.05937	4.5
137.09625	3.3
139.07520	3.1
141.06978	16.2
142.07776	10.0
143.08537	29.0
144.09238	2.7
145.06490	10.6
145.10118	35.8
146.07506	2.7
147.08044	9.8
147.11681	28.8
149.09575	11.1
149.13287	6.4
151.11215	2.5
153.06956	5.9
153.08992	2.4
153.12785	3.9
154.07811	3.6
155.08539	20.3
156.09392	4.2
157.06490	5.4
157.10118	32.7
159.08041	6.0
159.11693	22.3
161.09567	6.3
161.13257	9.4
163.11189	9.4
165.07011	5.5
165.12759	8.3
166.07721	4.3
167.08531	14.9
168.09315	3.4
169.10063	22.5
170.07335	2.7
171.08051	9.9
171.11684	25.3
172.24837	2.4
173.04449	16.8
173.09621	8.4
173.13226	12.2
175.07523	3.3
175.11174	12.2
177.12747	2.5
178.07796	3.2
179.08563	10.7
181.06497	3.1
181.10100	11.9
181.12239	4.4
182.10870	4.0
183.08075	6.4
183.11700	24.2
185.09593	7.1
185.13261	13.1
187.11131	6.3
187.14772	4.9
189.12749	3.7
191.10652	6.6
193.10201	6.2
193.12228	29.8
195.08014	3.7
195.11708	15.8
195.13608	3.3
197.09592	6.5
197.13260	11.9
199.11156	6.8
199.14845	7.0
201.12787	3.4
201.16463	3.1
202.81953	2.4
205.10121	3.5
207.11743	6.4
209.09695	4.8
209.11478	3.1
209.13258	9.1
211.11150	5.6
211.13275	37.8
211.14902	5.3
213.12766	4.6
215.14406	3.6
217.12312	3.2
219.11577	4.1
221.13409	3.5
223.11084	5.8
223.14825	5.2
225.12753	4.5
225.16380	3.7
227.12743	6.5
235.14897	5.2
235.17020	2.4
237.16470	3.3
241.19608	4.1
247.14815	2.4
249.16406	2.9
251.14383	2.9
255.17555	3.6
257.18893	5.5
259.20529	7.8
265.19507	2.7
267.15961	12.3
271.20544	4.2
275.20078	7.8
283.15497	4.4
285.16943	13.0
295.16992	2.8
295.20313	3.7
299.16705	2.6
299.20078	6.4
301.21680	2.7
307.20520	5.3
311.20099	2.9
313.21509	5.8
315.23218	3.7
321.22113	5.0
325.21716	6.2
337.21448	3.2
339.23132	4.7
345.37305	2.4
349.21548	12.2
351.23019	4.9
367.22574	20.0
369.24374	4.3
385.23676	9.1
403.24619	2.5
415.29752	3.9
433.30618	6.1
441.26376	7.3
443.27911	2.4
451.31952	5.1
459.27356	6.4
507.34604	4.1
515.37183	3.6
520.88055	2.4
525.35748	67.4
526.35547	3.3
543.36401	8.0
555.37360	3.4
559.34796	2.8
567.36676	6.1
577.34637	3.1
595.35217	2.9
633.37451	6.7
639.38513	3.7
651.39111	27.3
669.39783	30.4
687.40887	72.2
688.41107	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	687.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03937	0.6
53.24576	0.2
55.01850	0.3
65.03941	1.1
67.05480	0.4
68.99792	0.5
69.03432	2.1
70.06598	0.3
70.65040	0.5
70.65386	0.5
73.02444	0.3
76.03177	0.3
77.03928	1.0
81.03417	3.7
81.07073	0.5
85.02897	1.2
89.03919	0.7
91.05474	20.4
93.07042	0.5
95.04955	0.7
97.02898	0.6
99.04464	0.4
103.05473	0.6
105.03369	0.3
107.04983	0.3
107.08585	0.3
109.02888	1.6
109.10144	0.4
111.00777	0.6
117.03354	0.3
117.06998	0.3
119.04933	30.1
121.02900	0.4
122.03671	0.3
123.03535	0.2
127.03919	1.0
129.03340	0.4
131.04857	0.3
132.02023	1.4
133.02838	0.6
135.04385	0.5
136.05177	0.4
137.02342	0.5
137.05995	1.0
145.02829	0.6
147.04398	27.4
149.02309	1.0
149.06056	0.3
149.09561	0.6
153.01805	2.4
155.27054	0.2
157.03941	2.6
161.05974	0.3
163.03873	0.6
164.04637	1.1
165.01869	0.6
165.09105	0.8
165.14398	0.3
167.07036	0.7
175.03899	49.1
176.04271	0.7
177.05402	0.3
178.02618	0.3
179.07036	2.5
181.04831	0.3
183.02921	0.3
192.04115	0.7
207.06509	100.0
208.06801	1.1
217.04921	0.6
225.07599	0.6
231.01094	0.3
245.04387	1.0
273.03915	0.8
301.03534	0.3
319.04449	18.6
348.79001	0.3
351.10742	7.0
369.11737	3.8
551.85803	0.3
663.19110	0.3
686.51862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03399	0.2
65.03929	1.2
67.05494	0.3
68.99782	0.6
69.03413	0.6
70.80453	0.5
70.80794	0.4
73.02929	0.3
77.03922	0.8
79.05478	0.5
81.03397	1.0
81.07044	0.8
85.02892	0.9
89.03922	0.8
91.05479	23.6
93.07040	0.5
95.04946	0.6
95.08612	0.6
97.02894	0.5
99.04485	0.5
103.05469	1.0
105.03399	0.7
105.07030	0.5
107.08578	0.4
108.05762	0.5
109.02879	1.3
109.10154	0.5
111.00789	1.3
111.04424	0.3
117.03488	0.3
118.04170	0.4
119.04941	35.4
120.05243	0.5
121.10143	0.5
127.03937	0.7
129.03357	0.7
130.04153	0.3
131.04962	0.5
132.02103	1.2
133.02817	0.8
135.04391	0.3
136.05203	0.6
137.02306	1.1
137.05968	0.8
145.02844	1.1
147.04407	31.6
148.04758	0.4
149.02345	1.2
151.03905	0.6
153.01801	6.3
157.03947	2.7
161.06030	0.6
163.03882	0.7
164.04684	1.3
165.01826	2.2
166.02661	0.4
167.07031	0.9
175.03905	56.5
176.04289	0.9
177.01747	0.3
177.05499	0.5
179.03395	1.3
179.06976	2.8
181.04913	0.3
183.02853	0.7
189.05415	0.7
192.04185	1.0
193.01181	0.3
195.02916	0.5
203.03424	0.5
207.06525	100.0
208.06822	1.6
217.04959	2.8
219.06433	0.6
235.06049	0.6
245.04465	2.7
255.02950	0.6
261.07733	0.3
263.05582	0.5
273.03900	2.7
283.20496	0.3
290.04236	0.6
291.08548	0.6
301.03400	1.2
305.24716	0.3
309.09824	0.6
319.04471	53.3
320.04794	1.1
333.09457	0.4
351.10825	1.1
361.05679	0.4
369.11798	9.8
429.45895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01855	3.2
55.05507	14.1
57.03429	7.7
59.05019	1.5
67.05499	27.1
69.03416	2.8
69.07059	5.8
69.37721	9.2
71.04991	2.6
77.22009	1.1
79.05487	40.6
80.05817	1.8
81.03416	11.3
81.07047	25.4
83.01334	4.3
83.04974	12.4
83.08610	8.2
85.02898	4.4
85.06516	1.4
91.05470	26.1
93.07034	38.3
94.07384	1.5
95.04965	14.5
95.08587	15.3
97.02869	2.7
97.06528	3.8
97.10156	2.6
99.04435	1.2
103.05476	2.0
105.07023	21.7
107.04937	6.9
107.08582	13.6
109.02885	2.2
109.06518	6.3
109.10139	5.5
111.04412	1.2
115.05415	1.8
117.06992	7.5
119.04899	1.2
119.08575	16.3
121.06464	1.9
121.10103	7.0
123.08054	6.6
125.06067	1.4
125.09593	1.6
129.06995	8.4
130.07726	1.3
131.08545	3.7
133.10110	6.1
135.08060	2.1
135.11647	7.3
141.06934	1.9
143.08537	4.6
145.06438	2.2
145.10109	11.5
147.08035	3.3
147.11671	14.9
153.12709	1.4
155.08559	2.5
157.10075	1.1
159.11688	1.7
161.09558	2.4
161.13243	6.6
163.11195	11.6
171.11655	12.3
173.09682	2.2
181.12320	1.4
189.11293	1.1
189.12700	5.1
191.10637	1.5
207.13794	13.5
209.11699	2.4
227.12836	1.3
265.14230	1.5
275.20041	1.5
281.17453	37.3
283.15384	38.2
302.14804	1.3
306.19165	1.1
310.82666	1.0
345.99042	1.1
471.27365	6.8
489.28439	100.0
490.28662	3.0
504.58899	1.2
527.36646	1.7
668.38538	2.4
686.39386	4.4
706.50378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05500	13.2
57.03439	15.0
57.07066	3.7
59.04996	3.9
59.91663	2.0
61.02908	3.3
62.37753	2.1
65.03944	2.6
67.05502	100.0
69.03440	3.4
69.07066	9.6
71.52854	2.0
71.53236	2.5
77.19147	2.1
79.05498	23.9
81.07053	42.3
82.20600	1.9
83.08615	8.6
85.02905	3.6
85.06548	3.0
91.05457	15.1
93.07035	24.8
95.04958	3.3
95.08604	22.7
97.10161	2.8
99.08071	3.6
105.07019	8.0
107.08581	17.2
107.46011	2.0
109.10148	84.7
111.08135	4.0
113.64581	2.3
117.06989	4.5
119.08591	13.6
121.10141	10.5
123.11658	4.7
131.08533	4.9
133.10094	5.2
135.11693	7.1
137.09644	3.4
145.10135	5.7
147.11632	3.5
149.13220	4.7
155.10605	4.8
158.49939	2.2
159.11685	4.3
161.13341	2.1
163.14873	2.5
173.11720	26.0
173.13185	4.7
187.14882	2.2
227.12701	5.6
229.14330	100.0
238.18016	4.6
243.21123	5.8
261.22125	15.0
317.24655	4.8
335.25778	74.0
489.35745	39.1
507.36346	3.6
528.41370	2.2
580.88391	2.2
707.54938	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	685.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36177	3.7
53.03942	13.7
55.01863	3.3
55.05511	32.2
57.03434	16.0
57.07076	42.8
57.77346	3.6
60.69196	3.1
67.05502	34.0
69.03435	20.0
69.07062	20.7
71.04974	6.1
71.08636	47.4
71.51463	5.8
79.05507	22.5
81.02934	5.7
81.03414	97.6
81.07055	52.9
83.04981	61.6
83.08624	37.1
85.02902	22.9
85.10197	19.8
89.06022	4.1
91.05472	35.0
93.07049	23.6
95.04977	21.1
95.08604	37.6
97.02895	20.4
97.06529	6.5
97.10180	8.4
99.04506	5.3
105.07026	27.6
107.04944	5.8
107.08598	14.0
109.02866	16.0
109.06522	9.8
109.10181	15.9
109.82887	3.6
111.04438	23.5
111.08083	13.5
117.07036	5.4
119.08598	19.9
121.10143	7.0
123.11707	9.0
127.03936	17.2
129.05493	23.6
129.06993	5.3
131.08557	15.6
133.10144	12.7
135.11691	7.6
143.08473	4.2
145.10077	6.6
147.08096	4.7
147.11699	22.4
149.09624	6.7
157.10110	12.9
163.11171	5.8
173.05988	4.6
175.11206	11.1
190.43433	3.1
191.10724	7.7
193.12245	55.0
211.13298	83.4
227.12790	11.2
229.14394	11.1
239.23730	8.7
267.13397	4.1
267.15924	14.8
275.19998	4.2
283.15399	5.9
285.17035	24.4
306.29120	3.7
313.27353	100.0
313.30789	7.2
337.16672	4.1
355.17377	5.1
411.20233	3.7
429.20935	14.4
505.38519	14.3
523.39984	86.3
587.46588	4.8
667.44415	29.2
685.27942	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
55.01866	8.2
55.05511	39.2
57.03443	16.9
57.03664	2.8
57.07072	47.3
60.93072	2.6
67.05503	29.5
69.03436	19.7
69.07068	17.1
71.04979	7.8
71.08627	36.6
79.05494	22.8
81.02931	4.6
81.03416	96.7
81.07053	43.9
83.04978	100.0
83.08617	29.8
85.02887	17.8
85.10187	15.4
89.06013	3.3
91.05470	26.0
93.07044	19.6
95.04970	16.3
95.08608	33.0
97.02893	16.2
97.06489	4.4
97.10187	13.4
99.04427	5.2
105.07038	19.0
107.04926	7.8
107.08585	9.6
109.02879	13.1
109.06534	3.8
109.10128	13.6
111.04432	39.9
111.08063	11.7
111.81419	2.4
113.47534	2.5
119.04960	2.8
119.08582	17.9
121.06475	3.3
121.10109	11.3
123.11690	8.2
127.03882	12.8
129.05476	46.6
129.07007	10.7
131.08557	9.4
133.06581	2.6
133.10092	13.2
135.11676	5.5
142.07811	3.0
145.10126	7.0
147.11699	25.5
149.06020	2.7
149.09628	5.2
153.12738	8.7
157.10115	11.7
163.11179	6.0
165.12759	7.5
175.11169	13.7
181.12201	9.5
191.10655	9.8
193.12228	33.0
211.13275	52.6
227.12747	22.1
229.14360	8.7
239.23656	9.3
267.15964	9.3
283.15472	5.8
285.16956	15.8
313.27399	69.0
337.16434	3.7
355.17471	8.1
411.20276	2.8
429.21094	17.2
505.38953	8.9
518.27655	3.0
523.39911	84.3
539.39514	4.9
565.76025	2.9
573.48792	3.2
667.44275	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	684.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01867	1.8
55.05509	9.2
57.03424	3.6
65.03949	1.5
67.05503	28.9
69.07069	7.8
69.79749	5.4
71.04980	2.2
71.08620	3.4
73.03214	1.4
73.06553	1.9
73.10128	1.0
79.05489	44.3
81.03427	11.6
81.07053	26.2
83.04986	8.5
83.08599	5.4
85.06548	2.3
85.08537	0.9
91.05476	32.7
93.07040	43.7
95.04958	12.6
95.08601	18.2
97.06522	2.9
97.10160	2.3
99.08086	2.5
99.34435	1.2
103.05455	1.1
105.04493	1.2
105.07026	25.9
107.04939	4.4
107.08581	13.2
109.06516	3.2
109.10138	4.4
111.08073	2.0
117.07011	4.9
119.08573	15.4
121.06474	1.6
121.10140	4.8
123.08083	4.8
125.09695	1.1
129.06998	12.9
131.08542	2.9
133.06447	1.4
133.10101	7.3
135.05930	1.0
135.08125	1.3
135.11665	3.2
143.08580	5.9
145.10141	7.2
147.08017	2.5
147.11690	21.0
161.09666	1.9
161.13251	8.6
163.11195	2.9
171.11674	14.9
173.13255	1.3
179.14268	5.5
189.12752	8.0
193.12323	1.3
207.13803	17.9
220.16954	1.1
225.14778	2.2
236.16437	1.9
277.21613	3.9
281.17450	46.2
415.35104	1.1
461.28772	2.8
469.29517	2.0
487.30524	100.0
488.30722	3.6
543.36755	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.3
53.03942	13.2
55.01866	13.1
55.05239	2.1
55.05509	41.8
57.03442	13.6
57.07058	6.1
65.03922	8.4
67.05502	89.7
69.03428	32.8
69.07067	26.4
70.13667	9.2
71.04976	9.6
73.02894	3.4
73.06569	2.1
77.03919	2.1
79.05491	95.4
81.03416	45.4
81.07053	84.3
83.04990	19.3
83.08619	13.3
85.02905	10.4
85.06537	8.2
89.92603	2.2
91.05474	100.0
91.70868	2.2
93.07039	81.0
95.04958	36.4
95.08603	58.8
97.02886	11.6
97.06538	10.4
97.10154	8.3
99.04443	6.8
103.03947	2.9
103.05444	6.6
105.04501	3.4
105.07024	81.5
107.04932	19.7
107.08593	34.9
109.02862	7.4
109.06517	14.7
109.09455	2.3
109.10153	17.4
111.04413	5.0
111.08028	3.9
113.09617	2.8
115.05422	8.2
115.12836	1.9
117.07010	40.9
119.04937	3.0
119.08578	54.1
121.06499	9.1
121.10139	19.1
123.04428	6.0
123.08066	7.0
123.11690	3.1
124.88358	1.7
125.09628	6.2
127.03894	6.9
127.05516	1.9
128.06204	12.3
129.06999	45.5
130.07773	2.7
131.04897	6.6
131.08546	45.7
133.06479	7.8
133.10115	25.5
135.08035	7.7
135.11649	11.6
137.05890	3.7
137.09607	3.6
141.06989	22.2
142.07843	9.7
143.08556	39.7
145.06467	10.2
145.10109	40.4
147.08032	10.6
147.11681	34.6
149.05930	2.2
149.09607	5.5
149.13234	3.3
151.07527	3.2
151.65178	2.0
153.06958	7.1
154.07756	7.0
155.08543	27.3
156.09276	3.3
157.06488	6.8
157.10118	30.5
159.08092	10.1
159.11690	20.4
161.05980	4.3
161.09650	11.1
161.13234	15.5
163.11195	6.0
165.06967	8.2
165.95227	2.1
166.07822	3.7
167.08566	23.7
168.09332	4.4
169.06448	3.6
169.10109	25.0
170.10738	2.1
171.08005	9.1
171.11662	34.2
171.77698	2.0
173.09593	6.3
173.13264	12.0
175.07635	2.4
175.11163	5.5
177.12729	2.2
178.07716	5.4
179.08522	9.5
180.09178	3.3
181.10126	21.1
181.11768	2.2
181.12338	2.3
182.07283	2.7
182.10928	3.7
183.06593	2.9
183.08075	5.8
183.11650	20.6
185.09619	8.5
185.13234	11.2
187.11206	7.0
187.14816	5.0
189.12738	10.1
191.08549	4.2
192.09311	4.7
193.10124	13.4
194.10750	2.2
195.08049	5.9
195.11688	18.1
197.09618	6.5
197.13243	17.2
199.11154	7.5
199.14751	7.7
201.12703	3.2
203.08495	4.1
205.10097	8.8
207.08044	3.4
207.11673	14.2
207.13789	14.5
208.08913	2.1
208.12334	3.0
209.09607	4.7
209.13283	16.5
210.13982	2.3
211.11121	5.3
211.14841	5.0
213.12766	6.1
213.16330	3.6
215.10645	3.1
217.10075	3.3
217.12025	2.3
219.11691	6.6
220.12334	2.6
221.09727	3.8
221.13205	9.0
222.03734	2.2
223.11143	6.3
223.14780	6.8
225.12741	6.9
225.16510	2.9
229.10138	2.5
231.11781	3.4
233.13235	6.7
235.11174	3.0
235.14754	5.6
245.13249	3.1
247.14799	4.7
249.16388	2.9
251.14432	3.2
251.18091	2.8
257.13123	2.6
257.15543	2.6
257.18951	5.3
259.14740	2.5
259.20551	6.6
263.18088	2.4
265.19315	2.7
269.15454	3.1
271.20459	5.0
275.20126	2.9
279.16113	2.6
281.17435	23.2
287.20187	2.7
299.20139	3.7
307.20541	4.4
311.20038	2.8
313.21729	4.5
315.23309	3.7
321.22128	6.0
325.21692	6.8
331.20319	3.0
335.19257	2.4
337.21292	2.7
339.23099	5.7
349.21506	15.7
351.23215	4.7
365.20889	2.6
367.22653	17.4
385.23517	11.8
403.24985	3.1
423.25018	4.2
441.26324	7.5
459.27148	8.3
501.33691	3.0
537.35321	3.5
539.37128	5.3
545.36359	2.8
551.37378	2.8
555.34900	5.9
563.37598	3.3
573.35431	4.2
581.37866	2.4
591.36578	4.0
593.37897	3.5
601.38300	2.7
605.38214	4.7
609.38031	3.3
619.39337	9.4
623.39502	5.5
629.37854	7.9
635.39063	3.3
637.40491	6.6
647.39471	32.9
665.40338	33.4
666.40558	2.7
683.41449	66.0
684.42084	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	681.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79603	0.9
55.01855	1.6
55.05499	2.8
57.03431	2.7
58.02825	0.9
61.02923	3.9
65.03903	0.8
67.05505	6.8
69.03426	3.4
69.07066	2.1
69.57499	4.8
69.57905	2.0
71.05003	1.1
73.02900	2.8
79.05473	4.8
81.03422	5.2
81.07051	6.9
83.04959	1.9
83.08618	2.3
85.02910	5.3
91.03956	2.5
91.05488	4.2
93.07043	6.5
95.04965	2.9
95.08613	2.5
97.02882	4.3
97.06519	1.2
97.10157	1.2
99.04451	1.5
99.08062	1.1
101.02367	1.4
105.07047	3.9
107.05016	2.1
107.08583	4.3
109.02891	1.5
109.06526	1.3
109.10173	2.7
110.11308	0.9
111.08090	1.3
119.08598	3.9
119.76698	0.9
121.02834	1.2
121.10136	2.4
123.04417	1.0
123.08101	1.3
127.03963	2.5
128.56863	1.1
129.07010	1.8
131.04962	0.9
131.08589	2.6
133.10164	2.3
137.06038	1.3
143.08530	1.1
145.10083	1.5
147.04359	1.1
147.11699	2.6
149.13313	1.6
159.11705	1.5
161.13370	0.9
193.12271	1.6
235.13042	1.3
243.08490	2.1
291.19669	1.4
299.27887	0.9
453.15399	1.2
453.20734	6.0
469.20303	9.6
628.87347	0.9
634.33569	0.9
681.34515	100.0
682.34924	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	680.509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05507	30.6
57.03422	12.0
57.07061	8.2
59.88800	3.3
65.03924	6.0
67.05500	100.0
69.07059	27.9
69.16244	43.6
71.04991	4.1
71.08624	4.8
78.77206	3.1
79.05489	54.1
81.06598	5.6
81.07057	84.6
83.04984	5.8
83.08610	15.2
85.06561	3.9
86.09705	4.2
91.05476	58.1
92.27732	3.8
93.07039	76.2
95.04964	14.1
95.08605	55.9
97.06518	4.3
97.10164	6.5
99.08089	6.8
103.05500	3.7
105.07031	52.0
107.08591	37.2
109.06472	4.4
109.10172	23.0
111.08012	4.5
117.07004	26.7
119.08569	43.1
121.07296	3.3
121.10146	27.7
123.11718	5.6
128.35265	3.3
129.06987	10.4
131.08551	45.2
133.10133	35.6
135.11684	16.2
141.26947	3.4
143.08537	14.1
145.10109	26.5
147.11696	22.0
147.99522	3.4
149.13252	13.5
155.08615	5.0
157.10114	11.0
159.11658	20.5
161.09628	3.8
161.13274	11.8
163.14760	5.5
169.10049	5.2
171.11684	10.1
173.11891	4.3
173.13254	16.2
175.14865	4.6
183.11699	10.0
184.07324	10.0
185.13281	8.4
187.14806	8.2
197.13246	8.1
199.14824	6.8
201.16516	3.9
203.17967	3.7
223.14891	3.6
225.85049	4.3
229.14224	5.0
259.20517	13.9
261.22165	6.5
275.20050	4.8
294.64755	4.2
309.21976	4.2
333.24185	8.5
335.25729	15.4
527.37195	5.9
593.45331	5.3
611.46893	25.7
680.51361	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	6.9
57.05796	0.6
58.62128	0.5
67.05446	1.0
70.06517	0.6
70.81510	1.0
71.55407	0.5
79.05411	1.4
80.04951	0.8
81.03337	0.7
81.06986	1.1
82.06491	2.0
83.08620	7.0
84.08044	0.8
85.06490	0.6
91.05415	1.8
91.71635	0.6
93.06957	1.3
94.06555	2.8
95.04903	0.9
95.07259	2.5
95.08535	0.6
96.08111	4.5
97.06459	1.1
99.13365	0.6
100.07597	2.7
100.11249	38.9
103.05395	0.7
106.06495	0.9
108.08114	5.9
110.05948	1.8
110.09679	7.9
111.04424	4.2
112.07557	1.2
116.04868	1.5
120.04370	0.7
120.08080	5.6
122.05933	2.0
123.06705	0.6
124.07586	3.8
126.09086	1.1
127.08586	1.2
128.07060	3.9
129.92108	0.6
132.07980	0.6
134.05902	0.6
136.07559	5.5
138.09137	11.4
139.08701	2.8
140.07004	1.5
140.22264	0.6
144.04332	2.4
146.05975	2.7
146.09523	1.0
146.45486	0.6
148.07603	3.2
150.09111	7.9
152.07072	5.2
160.03830	0.7
160.07474	1.2
162.05402	1.8
162.09032	1.4
164.07079	5.9
164.14272	0.8
166.08632	13.4
172.03938	18.4
178.39354	0.6
182.08128	4.9
182.15392	16.7
190.04930	2.4
192.10095	1.4
192.13708	0.8
198.11412	1.6
199.12202	0.9
204.06543	54.7
205.06763	0.6
206.08054	0.8
209.16467	12.7
210.14882	18.0
211.12204	1.4
223.12248	1.3
225.10190	1.3
226.10913	0.7
226.19067	2.3
227.11697	0.8
227.17419	1.0
228.15883	0.8
233.10535	0.6
235.08684	1.0
236.09392	1.5
237.10181	3.1
237.13861	0.9
238.10934	1.0
239.11818	2.9
248.09422	1.7
249.10202	5.0
250.10902	3.8
251.11801	5.8
252.12447	1.5
253.09593	1.1
253.13290	1.5
256.12082	0.6
263.11829	11.1
264.08868	0.8
264.12518	2.5
265.09686	2.3
265.13257	4.6
266.10403	1.5
266.13455	0.7
267.11282	3.3
269.12650	1.1
271.10846	0.6
277.09799	1.4
278.10376	1.5
279.11267	9.3
281.12744	4.1
282.09921	1.4
283.10648	1.5
284.11353	1.0
285.12445	2.6
287.13791	1.7
291.11282	7.9
292.11887	1.7
293.12802	6.5
295.10629	1.6
296.11362	0.6
297.12311	11.4
297.15265	0.5
299.13889	2.9
307.10873	0.7
309.12286	13.5
310.13028	0.6
311.13794	2.0
315.13318	2.2
319.10712	5.6
321.12415	0.7
323.10080	2.0
325.11783	5.5
326.27878	1.5
327.13519	1.1
336.22852	1.5
337.11804	21.5
338.12079	0.9
339.13257	1.0
341.11105	1.2
343.30682	0.9
355.12845	7.9
356.13815	0.7
357.14444	7.1
369.14413	7.3
371.15833	1.4
373.13898	16.3
376.20261	0.7
380.19461	1.1
420.19312	0.7
430.17636	1.1
435.33359	1.2
438.48276	0.7
444.19180	1.1
450.20258	0.8
452.36105	1.1
453.34308	0.6
458.16556	0.9
462.20190	2.6
464.22095	4.2
490.13184	1.2
490.19742	12.4
508.20724	1.1
522.22321	100.0
523.22614	4.8
611.24988	5.0
621.59235	0.6
629.25903	3.0
643.27625	1.8
647.27191	4.9
661.50061	9.3
679.30731	1.6
679.51086	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	678.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55178	3.1
52.55949	2.8
53.48712	2.6
55.05514	14.2
57.03426	6.2
58.04099	3.0
58.15550	2.5
60.08157	6.8
65.62891	2.9
67.05500	31.4
69.07063	10.0
69.30536	28.3
71.07345	4.1
79.05489	31.8
81.03421	2.9
81.07057	32.6
83.05003	3.2
83.08623	13.6
86.09698	25.2
91.05477	29.7
93.07046	37.7
95.04986	9.2
95.08613	23.4
97.06516	4.3
97.10179	5.2
98.98531	3.8
104.10742	3.5
105.07039	27.3
107.08602	17.8
109.10164	7.1
117.07028	9.0
119.08601	24.8
121.10163	8.5
123.11707	3.6
125.00034	21.0
125.09670	3.6
129.07019	3.4
131.08562	12.0
133.10164	14.7
135.08061	3.5
135.11703	6.7
143.08559	10.3
145.10129	12.3
147.11687	13.4
149.13196	3.5
155.08534	4.3
157.10098	7.3
159.11697	9.6
161.13257	5.1
163.11162	4.2
169.10179	4.5
171.11731	8.8
173.13335	5.0
183.11690	5.4
184.07339	100.0
195.11752	4.8
201.16301	3.8
217.91962	3.0
241.19630	4.0
255.15971	3.3
259.20630	10.6
262.93555	2.9
278.10022	2.9
315.23096	3.3
333.24283	11.5
416.95383	3.3
427.52042	3.5
453.33545	3.1
513.36169	7.4
527.37024	11.1
551.02264	3.9
607.43347	4.6
678.46582	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	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27045	5.9
55.05507	29.1
57.03430	12.1
57.07064	13.1
67.05504	100.0
69.07047	26.6
71.08617	12.8
71.30988	13.6
79.05491	67.1
81.07052	96.2
83.04966	12.3
83.08617	21.7
85.06529	8.0
85.10152	6.4
87.60658	6.1
91.05482	69.3
93.07037	73.0
95.04951	10.6
95.08601	65.3
97.06556	8.1
97.10163	7.8
99.08044	6.7
103.83910	5.6
105.07018	69.3
107.08566	35.5
109.10139	57.4
117.07006	22.8
119.08595	59.2
121.10113	26.2
123.08131	6.3
129.06973	16.0
131.08569	33.5
133.10138	39.0
135.07973	7.8
135.11667	18.5
137.09612	9.4
143.08508	22.6
145.10124	34.7
147.11688	26.7
155.08533	6.6
157.10139	13.0
159.11716	32.2
161.13254	15.1
167.08592	7.0
171.11691	16.2
173.11682	10.2
173.13196	13.2
183.11763	9.2
184.07291	24.6
185.31392	5.8
197.12996	6.9
199.14775	5.9
200.67288	6.1
209.13196	8.4
225.16371	6.0
229.14400	35.4
241.19420	6.0
257.18903	6.0
259.20560	16.4
275.20450	7.4
293.21039	6.9
313.27338	27.5
333.24377	9.5
401.32373	6.4
467.37305	29.6
467.91763	6.0
472.43167	6.0
527.37006	7.6
545.96777	5.5
609.44995	29.7
625.45410	8.7
636.69073	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	678.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05038	0.6
56.72633	0.1
57.30273	0.1
58.06620	0.3
59.07386	0.2
60.08162	6.1
60.83067	0.1
63.94940	0.1
67.05491	0.2
69.18467	0.7
69.18891	0.5
70.06596	0.2
71.06994	0.2
71.07370	3.3
73.14832	0.1
79.05484	0.3
81.03409	0.2
81.07050	0.2
85.02898	0.2
86.09701	30.9
87.10033	0.2
90.47902	0.1
91.05483	0.3
93.07044	0.3
95.04990	0.1
98.21492	0.2
98.98460	3.0
100.45543	0.1
104.10730	2.7
109.10132	0.2
119.08598	0.3
121.10132	0.1
123.57663	0.1
124.99993	20.9
143.01042	0.3
150.09145	0.1
184.07329	100.0
185.07721	0.6
260.07278	0.1
266.06030	0.1
450.22397	0.2
468.23438	0.2
571.36438	0.1
660.34753	0.2
678.36053	7.7
679.36853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01870	3.5
55.05508	7.5
57.03437	7.6
57.07058	0.9
59.05000	0.5
61.02906	2.2
63.99152	0.5
65.03945	1.2
67.05502	24.3
69.03431	3.5
69.07070	8.9
70.73539	0.7
70.73874	1.1
71.04990	3.6
73.02896	0.9
79.05029	0.8
79.05487	12.9
81.02927	0.9
81.03413	24.2
81.07050	24.9
82.07392	0.5
83.04974	11.0
83.08157	0.8
83.08620	9.6
85.02899	9.5
85.06547	3.1
86.09698	0.6
91.03932	0.7
91.05476	24.4
93.06494	1.0
93.07040	15.0
93.83052	0.5
95.04962	11.4
95.08603	5.5
97.02888	2.7
97.06512	2.6
97.10142	2.3
98.20896	0.7
99.04432	1.4
99.08067	1.5
101.06001	0.8
105.07029	22.0
107.04951	2.1
107.07888	1.0
107.08589	18.6
107.15962	0.5
109.02852	0.7
109.06528	3.7
109.10146	30.5
110.10487	0.7
111.04395	0.6
111.08070	3.9
113.06001	2.9
115.05461	0.6
116.10738	1.2
117.06985	1.4
119.08580	7.2
119.66174	0.5
121.06475	0.9
121.10140	4.6
123.04412	0.8
123.08052	1.7
123.11686	5.7
125.00014	0.9
125.09610	1.4
127.03929	0.9
127.07575	2.5
128.06206	0.7
129.07016	3.6
131.08543	4.3
132.71844	0.6
133.06444	1.2
133.10118	39.4
135.07991	0.6
135.11697	0.9
137.09579	1.3
142.07761	0.6
143.08562	0.8
145.10101	1.0
147.08022	1.2
147.11682	5.3
149.09605	2.4
151.11168	18.6
157.10124	5.6
161.09615	1.2
163.11261	0.7
165.12721	1.1
169.12271	3.0
175.11163	4.6
179.10617	0.7
184.07367	2.6
193.12241	18.0
211.13280	31.1
212.59480	0.6
214.18027	5.9
215.12801	2.1
229.14436	0.6
253.14336	100.0
254.14520	0.9
267.15894	7.5
271.15396	22.6
285.16922	22.2
303.06424	0.8
304.06924	0.8
331.05948	1.8
332.06152	2.6
445.25793	6.0
463.26889	14.6
481.27930	52.9
482.28012	1.1
708.35815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88055	1.8
53.03938	3.8
55.05505	19.5
57.03438	9.2
57.07064	5.8
61.02922	20.4
64.42854	1.7
65.03918	2.4
67.05499	94.2
69.03424	6.4
69.07059	18.9
71.04978	4.8
71.52323	2.6
73.02911	7.8
75.04471	2.5
79.05486	51.9
81.03410	6.7
81.07051	100.0
82.07452	1.8
83.01328	1.8
83.04967	4.4
83.08607	9.0
85.02899	27.6
85.06553	5.0
91.03953	15.9
91.05466	33.7
93.07038	65.6
95.04984	8.3
95.07990	3.9
95.08599	77.0
97.02878	12.4
97.06512	5.2
97.10162	5.6
99.08091	4.3
105.07014	26.2
107.08585	44.5
109.06518	4.1
109.10146	41.0
111.08040	2.1
117.07012	13.4
119.08568	21.9
121.06385	1.7
121.10134	40.6
123.08028	3.9
123.11704	19.7
123.94260	1.5
127.03881	8.3
128.06187	2.1
131.08553	23.9
133.10106	21.8
135.11678	32.7
137.09601	3.0
137.13219	6.4
139.11176	3.2
143.08545	4.8
145.04974	8.7
145.10117	22.8
147.08057	2.0
147.11647	13.6
149.09552	2.0
149.13242	22.9
151.11150	1.9
151.14777	2.7
159.11699	17.0
160.68997	1.5
161.13263	14.4
163.06033	10.5
163.14780	15.0
164.55458	1.8
165.12759	2.4
173.13232	17.7
175.14827	4.4
177.12766	2.5
177.16420	7.3
179.14314	4.5
184.07317	3.2
187.14790	10.3
189.16418	2.0
199.14832	1.8
201.16347	3.9
219.17410	2.2
221.09315	1.9
233.22656	4.2
243.21072	30.7
261.22107	89.0
275.20135	2.9
279.23190	5.0
292.20029	2.6
302.31149	1.8
335.25714	36.5
353.26816	32.5
465.20984	2.6
479.30051	2.6
497.30991	4.8
567.14355	2.0
597.80206	2.0
677.34985	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	0.7
69.47739	5.4
79.05483	2.3
80.05002	1.2
81.03420	0.7
81.07065	1.2
82.06581	1.2
82.97727	0.6
85.02915	0.8
87.86201	0.7
89.03947	1.2
91.05487	1.1
93.05752	0.8
93.07060	3.9
94.06571	6.2
94.50048	0.7
95.04984	1.1
95.07352	3.3
95.08601	0.7
96.08128	8.0
103.05462	0.8
106.06538	1.3
108.04478	3.5
108.08121	12.3
108.08810	1.3
109.10153	0.8
110.09687	12.8
116.04964	2.6
116.96138	0.6
118.06554	1.3
119.08537	0.6
120.04459	3.4
120.08092	9.7
121.06520	0.7
122.06004	4.9
124.07599	9.0
127.06866	0.6
132.04492	0.6
134.05978	3.6
136.07571	11.0
138.05469	1.2
138.09140	13.1
144.04448	4.6
146.05965	6.0
147.04445	1.1
148.07574	4.0
150.05528	0.8
152.07079	2.8
160.04001	3.8
160.07527	1.2
162.05527	3.8
164.07114	1.9
166.08636	17.1
166.09972	1.1
167.07309	0.6
172.03928	22.6
174.05461	3.2
176.07074	4.1
184.10005	1.0
185.10841	0.8
190.04999	21.7
192.06453	0.7
195.09277	0.9
196.09781	0.6
197.10771	1.3
198.09251	1.3
199.08723	1.8
204.06558	38.4
211.08641	1.7
212.07417	0.6
212.09448	1.9
213.10245	4.0
214.10962	0.9
215.11815	3.1
218.01913	0.8
223.08684	1.2
223.12238	1.0
224.09531	1.6
225.10138	3.3
226.08717	1.6
226.10890	1.2
227.11823	2.1
229.13260	1.0
236.09500	2.4
237.10222	3.3
238.11015	2.4
239.11858	2.1
241.09715	4.7
243.11305	13.5
249.10233	2.8
250.11040	0.9
251.08223	1.3
251.11821	2.3
252.08844	1.1
253.09763	2.0
253.13405	0.8
255.11223	1.8
256.12250	1.3
257.09494	0.9
257.12982	2.3
259.10791	0.8
263.08078	1.9
264.08798	3.9
265.09750	3.5
267.11292	1.9
269.09259	2.2
269.13019	1.0
270.09808	0.8
271.10675	3.3
273.12326	7.2
277.09741	2.4
279.11298	4.7
281.09274	0.6
281.12714	0.8
283.10730	5.7
284.11682	0.9
285.09131	1.3
285.12323	28.5
287.10193	6.3
288.12210	0.7
295.10736	0.9
297.12344	7.8
299.10577	1.7
299.13995	3.6
300.11288	1.0
300.14999	0.8
301.11755	3.1
302.12833	2.2
303.13397	24.5
304.14273	1.1
307.10776	1.5
311.10306	1.4
311.14099	0.8
312.14877	1.3
313.11996	2.4
314.16510	1.1
315.10233	0.9
315.13712	1.3
316.11041	1.5
316.14719	1.3
323.10428	5.3
325.11829	36.5
326.12482	3.0
327.13718	3.9
328.14484	1.2
329.11484	2.4
329.15140	1.3
330.12402	2.6
330.15988	0.9
337.12045	0.9
339.13577	0.9
340.14633	1.4
342.12650	1.7
342.16434	1.2
343.13007	5.4
344.14127	2.1
346.15573	2.7
354.12555	1.2
355.13037	0.9
356.09836	0.9
356.14011	1.8
357.14545	11.8
358.11786	1.2
358.15558	4.7
362.15012	1.0
367.13492	0.8
368.13965	2.1
370.12097	2.4
371.12762	2.8
372.13278	3.9
372.17551	1.3
373.14145	1.8
374.15167	2.9
376.16754	1.5
381.10699	1.0
382.15576	0.9
383.12540	1.2
384.17566	1.1
385.14264	3.2
386.14987	9.7
387.16040	3.6
388.16980	1.2
392.16177	1.3
394.17542	1.9
396.13538	0.9
400.16867	1.4
401.13446	0.7
402.14456	2.6
403.15543	1.3
404.15982	5.6
406.17813	2.9
410.14963	1.1
411.37585	0.7
412.16754	1.3
413.14462	1.2
414.14456	12.8
415.15295	18.8
416.15955	3.3
418.17596	2.4
420.15231	3.3
426.14368	0.8
428.16049	3.0
430.17642	2.9
432.15482	11.4
433.15930	1.1
438.15320	2.1
444.15338	3.3
446.16998	3.9
456.15579	8.4
462.16559	17.8
463.16992	1.0
464.18130	1.9
474.16629	42.8
475.17081	1.8
476.18219	2.6
488.18356	2.1
494.19159	2.2
506.19223	9.9
581.23883	3.5
583.25415	3.6
585.23346	7.1
591.22345	1.7
599.24585	4.4
609.23401	14.3
623.25226	0.9
627.24481	100.0
628.24634	5.8
641.25836	2.9
645.25128	0.9
659.27148	3.3
677.36786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
60.25889	0.8
61.02920	1.1
65.03931	1.3
67.05484	1.1
69.07047	0.9
70.47464	0.9
71.50820	1.3
79.05489	1.9
80.04996	0.9
81.03437	1.3
81.07038	1.7
82.06566	1.2
86.51093	0.9
89.03909	1.5
91.05477	3.2
93.07046	4.6
94.06565	6.3
95.04945	1.1
95.07355	2.4
96.08124	11.0
97.06523	1.8
98.09718	1.0
100.11246	2.3
106.06541	1.5
108.04463	3.5
108.08118	13.2
110.09691	13.5
111.05548	1.2
116.04977	3.6
118.06503	1.4
120.04470	3.8
120.08093	10.7
122.05998	6.3
124.07584	11.8
134.06010	2.8
136.07562	10.1
137.05994	1.5
138.05498	1.6
138.09137	16.5
141.06581	1.5
144.04437	5.8
146.06004	5.8
148.07587	4.7
151.28468	0.9
152.07079	2.2
153.01831	1.0
154.48795	0.8
160.03920	2.9
160.07619	1.5
162.05498	4.3
163.03976	1.8
163.07579	1.3
164.07033	2.2
166.08632	18.6
167.07083	1.0
172.03922	20.0
174.05505	2.9
176.07048	4.5
177.05449	1.7
180.64613	0.8
182.15422	0.9
185.10619	1.5
186.09184	0.9
190.04990	22.6
199.08644	1.1
204.06554	37.8
209.10732	1.7
210.14909	1.4
211.08633	1.2
212.09482	1.7
213.10242	3.9
214.10881	0.9
215.11839	3.8
223.08621	1.2
224.09482	1.8
225.10263	2.5
226.08617	1.9
226.10944	1.0
227.11848	2.6
229.09734	1.2
235.08693	1.5
236.09407	1.7
237.10309	3.2
238.11072	2.2
239.11845	1.8
241.09682	3.7
243.11279	17.2
245.13091	1.0
249.10275	2.5
251.08112	1.3
251.11795	3.4
252.08958	1.3
253.09756	2.7
255.11363	3.8
256.11948	1.4
257.09250	1.5
257.12827	1.2
262.10822	1.0
263.07983	1.4
263.11655	1.4
264.08960	3.8
265.09647	2.4
267.11334	2.7
269.09229	3.2
271.10794	2.3
273.12234	6.2
277.09589	3.8
278.10590	1.2
279.11292	4.6
281.12521	1.1
282.09851	1.3
283.10831	4.6
284.11472	1.5
285.12308	26.1
287.10281	8.2
296.11447	1.5
297.12350	9.7
299.10464	2.1
299.14008	3.9
301.11847	4.2
302.12857	1.8
303.13370	24.8
304.14145	1.9
307.10696	1.3
309.12354	1.8
311.10349	1.9
313.11929	1.2
314.13110	1.5
316.14600	1.7
317.15125	1.2
318.15933	1.2
323.10239	7.7
325.11816	32.1
326.12729	2.1
327.13434	3.9
328.11005	1.3
328.14450	2.2
329.11423	2.1
329.15219	1.0
329.88947	1.1
330.12360	1.9
337.11752	1.2
339.13541	1.3
340.14676	1.5
342.12238	1.5
343.12900	7.0
344.13800	3.1
345.15057	1.8
346.15485	3.8
347.16000	1.2
354.12421	1.6
355.12924	1.4
356.13846	1.3
357.14435	10.9
358.11542	1.8
358.15607	4.8
368.13962	1.2
370.11804	2.3
371.12677	2.1
372.13245	3.9
373.13947	2.5
374.14896	2.3
383.12698	2.0
385.14166	2.4
386.14926	9.6
387.15665	4.2
388.16721	2.4
392.15799	1.6
396.13278	2.5
399.15973	1.2
400.12491	1.3
400.17026	1.3
401.13849	1.3
402.14459	3.2
404.16055	6.4
406.17474	3.7
410.15015	2.6
412.16525	1.6
413.13663	1.5
414.14551	13.1
415.15295	22.6
416.15939	3.6
418.17456	1.9
420.15329	5.5
428.16006	3.6
430.17596	2.5
432.15460	13.5
433.16312	1.3
438.14236	2.1
444.15402	2.9
446.16974	3.1
456.15411	7.0
462.16483	16.4
464.17902	2.5
474.16592	39.7
475.16913	2.6
476.18027	2.1
488.18188	1.7
494.18820	1.5
506.19226	12.7
581.24255	2.6
583.25311	3.2
585.23309	7.5
599.24890	4.3
609.23444	10.8
627.24438	100.0
628.24640	7.7
645.26105	1.3
659.26892	3.4
677.49518	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	676.454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
56.59894	0.2
57.07071	0.2
58.06600	0.5
60.08160	6.0
60.75113	0.3
64.16760	0.3
64.21397	0.3
67.05482	0.8
69.07054	0.4
71.07370	2.7
71.08609	0.3
71.37421	0.3
71.51030	0.4
71.51463	0.4
73.43314	0.3
76.01298	0.3
81.07059	0.6
83.08643	0.2
86.09704	27.2
87.10030	0.3
91.05460	0.7
93.07026	0.3
95.08591	0.5
98.98470	2.6
104.10730	1.8
105.07024	0.6
106.67714	0.3
107.08607	0.4
119.08570	0.4
125.00001	17.8
133.10136	0.3
133.14607	0.3
135.11682	0.4
139.57655	0.3
143.01117	0.3
184.07335	100.0
185.07578	0.4
296.78531	0.3
327.13525	0.3
496.34412	0.4
672.93158	0.3
676.45374	7.2
709.02252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01867	1.5
55.05514	14.1
57.03433	10.9
59.04971	1.0
61.02920	5.8
62.60657	1.0
65.03925	2.1
67.05135	1.7
67.05502	35.3
69.03427	3.5
69.07071	10.7
70.81807	2.2
70.82150	1.0
71.05003	5.0
71.08619	1.1
71.67998	0.9
73.02934	1.1
77.42073	0.8
79.05489	29.2
81.02931	1.8
81.03416	37.5
81.07050	46.8
83.04974	10.4
83.08611	18.5
85.02905	17.6
85.06541	2.6
91.03957	3.2
91.05478	29.6
93.07041	30.1
95.04961	19.1
95.08603	13.0
97.02882	3.6
97.06541	4.9
97.10178	3.1
99.08098	1.1
105.07029	15.4
107.04939	4.0
107.08583	18.1
109.06508	4.4
109.10141	3.1
111.04433	1.3
111.08082	7.5
113.05988	2.1
115.05430	1.2
117.07018	4.1
119.08578	12.7
121.06456	2.2
121.10143	10.9
123.08089	2.9
123.11697	3.9
127.03895	1.0
129.07001	5.8
131.08569	10.6
133.06477	2.2
133.10126	13.7
135.11702	4.9
145.10129	1.4
147.08034	2.1
147.11662	8.3
149.09622	3.4
149.13297	6.8
151.11172	1.5
153.84685	0.9
157.10144	8.8
159.11713	3.5
165.12717	2.1
175.11177	10.6
177.12752	1.9
179.14304	1.7
180.14572	1.0
184.07373	1.7
193.12215	25.0
193.13899	1.8
195.13795	8.9
211.13275	35.9
231.46973	1.1
249.14781	1.2
267.15933	14.0
269.17462	41.0
270.17728	1.0
285.16968	41.5
443.27878	1.6
461.29004	17.2
479.30017	100.0
480.30417	5.4
483.16196	2.2
484.17386	1.4
497.18011	2.8
498.18149	4.6
499.18256	1.6
623.34363	1.2
645.25024	1.3
676.26898	20.4
677.26361	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	676.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03935	3.4
55.01860	3.6
55.05274	1.4
55.05509	18.3
57.03436	16.8
57.07075	1.1
58.82731	1.1
61.02916	5.2
64.92213	1.2
65.03919	1.9
67.05502	48.7
69.03413	4.4
69.06734	1.5
69.07066	19.2
69.40826	7.9
71.01340	1.5
71.04994	6.7
71.08609	1.1
73.02905	1.6
79.05489	39.8
81.03415	53.1
81.07054	61.4
83.04984	14.6
83.08616	28.2
85.02905	20.7
85.06542	2.6
91.03929	1.7
91.05479	30.7
93.07037	47.1
95.04961	21.9
95.08604	18.2
97.02880	4.2
97.06528	9.7
97.10175	5.0
99.04378	1.4
99.08080	1.9
105.07031	20.2
107.04940	6.1
107.08586	21.8
109.06536	5.2
109.10143	3.4
111.01313	1.0
111.08073	13.0
113.05993	2.7
115.05460	1.1
117.07023	5.9
119.08581	14.7
121.06522	2.2
121.10138	18.8
123.08089	2.2
123.11684	2.6
125.09601	1.2
127.07548	1.1
129.06995	6.9
131.08556	13.3
133.06516	2.7
133.10126	13.3
135.08046	1.5
135.11685	6.4
137.09590	1.1
142.07770	2.0
147.07999	2.8
147.11679	12.1
149.09633	6.2
149.13255	20.7
153.39525	1.0
157.10133	12.2
159.11716	8.2
165.12666	2.0
175.11182	11.9
177.12724	3.5
193.12241	32.7
195.13811	7.8
211.13280	46.7
267.15900	27.6
269.17468	63.1
279.90820	1.0
285.16940	35.5
299.04355	1.1
419.82840	1.1
435.27234	1.4
443.27451	1.3
461.29013	55.9
479.30014	100.0
480.30441	1.7
538.78302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59265	1.7
53.03930	6.7
55.01856	8.1
55.05507	44.8
57.03430	16.1
57.07055	3.7
59.04993	4.4
65.03938	4.1
67.05501	100.0
69.03413	4.3
69.07067	25.1
71.04980	7.6
71.08612	3.4
71.12157	4.5
73.02895	4.7
73.71764	1.6
75.10899	1.6
77.03925	2.2
79.05020	3.0
79.05488	69.2
81.03422	16.8
81.07052	75.8
83.04980	9.8
83.08620	16.3
85.02889	7.5
85.06522	6.8
86.09690	6.1
87.04456	3.9
91.04904	4.0
91.05476	67.8
92.39165	1.7
93.07040	59.8
95.04974	11.8
95.08601	43.1
97.02882	3.3
97.06519	7.0
97.10152	19.0
98.98505	1.9
99.08073	3.5
102.75419	1.8
105.07024	61.8
107.04937	4.0
107.08585	40.6
109.06511	6.5
109.10152	59.7
111.04436	3.0
111.08058	6.8
117.07001	21.8
119.08575	53.1
121.06478	2.7
121.10134	24.9
123.08035	2.9
123.11697	4.2
125.00022	4.2
125.09624	19.6
128.06187	3.6
129.05444	3.1
129.06990	16.1
131.08556	26.2
133.06445	3.9
133.10112	41.4
134.10703	1.8
135.08041	3.9
135.11678	21.5
137.09598	7.0
142.07687	1.9
143.08554	13.4
143.10634	2.3
145.10104	27.5
147.08122	1.9
147.11679	40.0
148.22235	1.8
149.09575	3.8
149.13272	10.6
151.11201	2.8
153.12663	2.7
155.08569	3.6
155.10641	1.9
157.08862	2.8
157.10098	14.5
159.10428	3.2
159.11685	19.8
160.12206	1.6
161.09572	2.3
161.13229	26.2
163.11180	9.5
169.10065	4.0
171.11679	14.7
173.09514	3.0
173.11714	15.5
173.13264	13.7
175.11116	2.3
175.14870	9.1
177.12669	4.0
179.14355	2.9
181.12119	2.3
183.11624	3.7
184.07324	17.2
185.07634	2.8
185.13266	10.1
187.14809	3.3
189.12756	3.0
189.16310	2.3
193.12259	4.9
197.13318	2.6
199.13202	7.0
199.14864	6.5
201.16318	3.2
209.11559	3.5
209.13327	3.1
213.16353	5.1
221.13210	2.2
225.16351	1.6
229.14334	31.3
231.21036	5.5
241.19507	24.9
243.21176	2.7
254.07771	2.2
257.19064	3.7
259.20554	58.8
267.15930	2.2
273.18530	2.4
275.19977	6.2
277.21487	3.9
293.21133	3.1
297.22067	2.2
301.16431	4.0
305.21109	3.1
313.21585	3.3
315.23074	6.6
325.21457	1.9
333.24258	30.7
349.23633	2.9
351.25244	2.9
399.23862	6.1
413.30295	2.2
487.34052	3.1
503.37579	2.4
504.33817	2.5
505.35257	3.3
513.34894	2.2
541.34857	2.4
559.36249	2.6
577.37830	2.1
585.41321	10.1
657.43549	2.3
675.43457	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	675.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
54.19308	2.5
55.01851	2.7
55.05512	14.0
55.05721	2.5
57.03427	13.0
57.07056	3.1
60.08165	5.3
61.02927	20.2
67.05499	33.6
69.03419	9.9
69.07066	16.5
71.04993	5.9
73.02910	6.6
79.05490	43.3
81.03414	16.7
81.07053	38.4
83.04958	6.7
83.08617	11.5
85.02885	28.8
85.06536	6.1
85.51047	2.5
86.09698	29.9
87.10036	2.9
91.03938	14.3
91.05478	41.5
93.06487	4.5
93.07038	56.0
95.04967	10.5
95.08604	33.3
97.02897	16.9
97.06534	9.2
97.10184	4.0
98.98468	3.2
99.04425	3.1
99.08109	3.8
103.05465	4.9
105.07026	39.6
106.40663	2.8
107.04952	7.6
107.08588	28.6
109.02854	3.1
109.06506	7.1
109.10149	10.3
111.08064	5.4
117.07004	13.6
119.04948	2.7
119.08591	29.2
121.06501	5.4
121.10126	29.7
123.08052	3.7
123.11705	5.5
124.99989	17.7
125.05969	2.3
125.09650	5.4
127.03926	6.1
129.05476	3.4
129.07002	8.7
130.37747	2.5
131.04900	7.0
131.08537	18.6
133.10121	29.2
135.08064	6.8
135.11681	21.4
137.09583	3.3
137.13213	2.6
143.08566	8.7
145.04948	4.1
145.10098	20.3
147.08002	3.0
147.11665	34.0
149.09628	10.0
149.13211	12.1
151.07555	3.9
151.11140	4.2
155.08557	3.3
156.09331	3.0
157.10162	12.7
159.11691	15.3
161.06020	3.0
161.09621	2.6
161.13242	20.9
163.06007	5.3
163.07411	2.8
163.11179	7.4
163.14828	4.3
167.07132	5.8
167.08563	4.6
169.10120	3.7
171.11696	11.1
173.09535	3.3
173.13269	9.0
175.11191	6.2
175.14824	13.2
177.05435	2.7
177.12729	3.2
184.07329	100.0
185.07718	13.6
185.13278	8.0
187.14778	4.3
191.07014	4.5
193.12190	6.2
199.14789	4.2
211.13261	6.0
213.16383	3.2
215.14093	2.5
231.21214	3.8
241.19525	15.6
255.15813	3.8
259.20557	35.7
267.15775	3.8
269.17499	5.3
275.20163	4.5
277.21555	5.8
283.09830	3.3
285.17062	4.0
333.24237	7.5
349.23544	5.5
351.25266	86.9
352.25659	4.9
363.25452	3.6
369.25516	2.7
375.25302	2.9
385.23776	3.3
417.26578	5.4
435.27512	2.7
441.26187	7.1
459.27328	9.1
461.29004	3.4
461.94415	3.0
477.28464	9.7
479.29947	7.8
495.29633	12.9
513.15369	3.8
513.31293	2.8
675.37994	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	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01874	2.1
55.05524	3.1
57.03434	1.6
65.03943	2.1
67.05494	10.7
69.03420	6.1
69.07058	3.6
71.04990	2.4
71.52554	2.8
79.05484	6.1
80.05014	2.4
81.03419	8.6
81.07056	15.1
82.13232	1.4
83.04980	3.3
83.08604	4.7
85.02895	4.4
85.06541	5.2
89.85030	1.9
91.05469	8.0
93.05786	3.5
93.07034	12.1
94.06570	5.7
94.07393	1.5
95.04947	7.8
95.08614	10.3
96.08112	3.7
97.02849	2.4
97.06528	5.7
99.04421	3.1
99.08083	2.2
105.07020	13.0
106.06589	1.8
106.07309	1.8
107.04937	3.0
107.08582	10.5
108.04475	1.7
108.08116	45.0
109.02856	4.7
109.06518	4.8
109.10145	6.4
110.06094	2.5
110.09660	5.3
111.04444	3.1
111.08047	4.8
117.06999	1.9
119.04951	2.2
119.08562	11.4
120.08099	6.4
120.08863	1.5
121.06496	5.3
121.10151	9.2
122.06028	6.5
123.04453	8.0
123.08036	2.3
123.11684	4.9
124.07600	2.3
125.98531	1.4
127.03922	5.7
129.07024	2.5
131.08560	4.5
133.10135	6.0
135.04398	7.1
135.07971	1.6
135.11673	3.6
136.04701	1.6
136.07573	56.9
136.26074	1.4
137.05942	5.2
137.09659	2.7
137.13261	1.9
138.05510	1.5
138.09120	5.9
139.03900	5.6
139.07523	2.2
143.08533	2.0
144.08159	1.7
145.06377	1.6
145.10121	4.5
146.06137	1.7
147.04417	4.3
147.07976	1.4
147.11658	9.7
148.07515	1.6
148.12000	3.1
149.09636	5.0
151.03932	10.1
151.07405	1.6
152.07062	3.0
157.10092	2.6
159.11699	2.8
161.06004	2.0
162.05490	2.2
163.03886	4.0
163.11156	1.7
164.07095	12.4
166.08638	5.4
167.07060	5.3
169.12230	1.5
170.08168	1.6
171.11697	2.5
174.09161	3.3
175.03947	2.0
175.11220	3.7
177.05447	3.3
181.04988	4.4
189.12752	5.9
189.16396	1.7
190.13153	1.7
191.03331	2.2
193.12233	2.9
197.10748	1.8
204.10258	3.9
207.06549	4.0
207.13896	2.8
211.08760	1.9
217.12244	5.5
220.09850	1.9
221.10585	2.1
223.08701	1.8
223.12297	2.6
227.08226	1.7
235.08611	3.6
235.13138	3.7
236.09514	5.1
236.13399	2.1
237.10172	6.1
239.08221	2.9
239.11768	2.8
241.09798	1.8
241.13290	1.6
247.08528	2.7
248.09468	5.5
249.10269	22.0
250.11028	6.2
251.11717	16.7
253.14334	8.3
254.14590	2.9
261.10303	8.0
262.10980	7.2
263.08829	2.9
263.11777	26.8
264.09036	2.0
265.09592	7.8
265.13419	3.5
266.10413	2.0
267.11224	4.2
267.15924	4.8
271.15411	2.0
277.09720	14.1
278.10446	7.0
279.11273	17.8
280.12003	4.5
281.12939	4.2
283.10822	2.5
285.12369	3.4
289.09717	11.0
290.10431	5.6
291.11212	20.4
292.12006	5.3
293.09528	3.3
293.12854	10.9
295.10822	6.0
296.11353	1.6
297.12320	3.3
298.13452	3.2
303.04935	3.0
303.08438	4.6
305.09033	2.3
305.24588	2.7
307.10815	4.3
308.11700	2.1
309.12292	5.7
310.13354	2.6
312.14868	4.2
313.12393	3.0
313.15930	2.0
314.16638	2.7
317.09222	7.0
319.10699	3.8
323.10321	3.4
323.25946	1.9
324.11133	2.9
324.14893	3.3
325.12021	6.0
326.13000	7.5
326.16312	2.8
327.13617	1.8
328.14536	3.7
330.12360	2.2
335.09973	3.4
337.11911	4.7
338.12906	4.3
338.16678	1.8
339.09857	1.8
339.13663	6.8
340.10754	2.4
340.14462	23.3
341.11514	3.0
341.15326	4.1
342.12311	2.2
342.16037	4.7
344.17593	1.8
350.12756	1.8
351.13702	2.7
352.14731	7.7
353.11557	4.3
353.15314	2.4
354.12173	8.8
354.16058	6.3
355.13208	6.9
355.17081	1.8
356.13818	9.4
356.17664	6.3
358.15173	1.7
358.19131	2.5
366.12421	6.5
367.13092	9.5
368.13785	18.9
368.17511	1.8
369.14752	7.3
370.15591	12.8
371.16403	3.3
372.12872	2.3
372.17188	4.2
373.13083	2.7
379.13437	2.3
380.13797	7.2
381.14969	7.1
382.11279	2.5
382.15927	11.1
383.12366	4.8
383.16653	8.8
384.13147	5.7
384.17444	11.2
385.17947	3.2
385.22824	1.9
386.14459	2.7
386.15570	1.8
386.18973	11.3
392.13947	1.7
394.11374	3.5
394.15936	3.1
395.12640	2.5
396.12909	10.4
396.17828	2.4
397.14227	6.9
398.14938	15.8
398.18866	3.1
399.15845	3.4
400.16949	8.6
408.13464	3.8
409.13907	2.5
410.14642	7.9
411.15671	4.9
412.12286	2.0
412.16702	17.3
413.17569	7.8
414.13849	1.4
414.18466	14.6
415.19153	4.7
416.20322	8.1
424.16705	3.3
426.14478	7.0
427.15274	2.1
428.16125	16.3
429.16898	2.5
430.17804	3.1
440.15863	8.6
441.16431	1.7
442.17947	30.6
443.18472	17.6
444.19424	29.4
446.17203	8.1
450.14594	2.6
452.16251	1.8
454.14221	9.7
456.15451	1.9
458.17001	6.3
459.27579	2.7
460.18750	34.6
468.15564	10.0
469.16251	2.3
470.17163	13.4
472.14993	20.7
474.16434	2.5
486.10141	1.2
486.16663	26.5
487.17413	24.7
488.18146	100.0
489.18436	1.9
492.17535	7.7
504.17633	70.0
505.18237	2.5
506.18924	3.1
513.15454	2.6
518.19409	12.8
519.19611	3.5
520.20789	2.4
563.22382	2.5
581.23895	16.9
583.22223	3.2
589.20233	1.8
599.24976	47.2
607.21661	13.2
625.22931	43.8
639.24396	6.0
643.23962	36.9
657.25562	19.2
675.25134	16.8
675.33734	13.8
677.02185	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01883	7.7
55.05510	14.0
57.03439	17.1
61.02916	5.5
67.05505	27.5
69.03429	10.2
69.07063	9.9
71.04980	6.6
71.51632	2.3
73.02907	3.3
79.05494	25.1
81.03419	92.7
81.07057	36.5
82.03740	1.8
83.04985	12.9
83.08621	24.8
85.02909	21.2
85.06533	5.0
91.03977	3.6
91.05476	35.6
93.06502	2.0
93.07047	28.1
95.04967	33.2
95.08608	14.7
97.02888	10.0
97.06506	4.7
97.10176	7.6
98.03189	1.7
99.04450	3.3
99.08108	2.2
103.03907	1.4
105.07030	26.4
107.04964	11.3
107.08595	15.9
109.02854	5.3
109.06520	8.0
109.10168	10.4
109.10814	1.9
111.04448	6.4
111.08070	8.8
113.06008	2.4
115.05405	2.6
117.06997	7.0
119.04936	3.5
119.08582	21.7
119.24047	1.6
121.06507	5.3
121.09442	2.0
121.10159	18.2
122.10540	1.3
123.04449	2.9
123.08057	5.1
123.11700	3.5
125.05936	1.9
125.09613	5.4
127.03919	4.4
129.07019	11.3
131.04950	2.1
131.08557	13.6
133.06483	3.7
133.10130	13.1
135.08061	2.9
135.11673	4.3
137.05977	4.2
137.09613	3.4
142.07732	3.2
145.02858	1.8
145.06448	5.5
145.10127	7.0
147.08058	6.6
147.11707	17.2
149.09644	15.7
149.13280	3.5
151.03899	2.7
151.11124	2.2
153.09093	2.1
154.08618	3.6
155.08517	1.7
156.10205	4.3
157.10127	15.6
159.08017	1.9
159.11688	2.5
161.09601	1.7
163.03978	2.3
163.11176	7.3
165.09148	2.0
165.12759	4.8
167.06958	1.7
167.10664	2.5
171.11746	2.0
173.06024	2.2
175.11176	14.9
177.05400	2.6
181.06580	1.7
181.12260	2.0
184.07304	3.4
187.14612	1.6
189.05478	2.0
189.12759	3.7
191.10767	2.2
193.12238	35.6
195.11716	1.5
195.13690	2.3
197.13347	1.6
211.13272	24.0
227.12794	2.6
229.14407	2.7
233.15437	2.3
235.13235	1.9
237.12708	1.8
249.14920	2.9
267.15915	100.0
268.16385	2.8
269.17413	3.1
273.14847	4.1
273.21912	2.0
283.15359	5.2
285.16949	24.7
303.04971	5.3
311.14847	2.2
327.60065	1.6
349.21579	2.2
350.23627	2.3
350.33405	1.6
367.22723	10.8
385.23587	11.1
402.09604	1.6
403.24854	4.2
433.25879	11.1
441.26273	5.0
459.27438	58.0
459.33908	3.0
477.28473	68.3
478.28311	2.9
495.29309	4.3
501.28287	2.0
513.15399	8.1
519.29590	1.7
674.38922	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01866	3.0
55.05513	12.2
57.03429	4.1
59.39110	2.0
59.52198	2.0
67.05512	14.1
69.03424	14.4
69.07066	13.4
71.05005	6.3
71.52398	3.2
79.05482	21.8
81.03400	17.4
81.07056	28.6
83.04970	14.0
83.08590	5.0
85.02909	18.5
85.06541	9.0
87.27054	2.2
89.51814	2.0
91.05477	34.2
93.07041	40.7
95.04966	17.3
95.08604	17.9
95.26617	2.1
97.02900	8.6
97.06529	16.8
99.04455	10.1
103.05488	3.3
105.06316	4.3
105.07025	74.2
107.04960	8.0
107.08590	33.8
108.08096	7.5
108.08817	2.0
109.02877	29.1
109.06515	29.7
109.10165	13.1
111.04433	4.2
111.08057	11.9
113.05958	3.0
115.05470	3.1
117.07033	8.1
119.04881	2.3
119.08574	74.7
120.08115	2.3
121.06493	32.5
121.10125	21.2
123.04434	6.6
123.08064	15.9
123.11717	18.7
125.05977	9.0
127.03903	29.7
127.07561	6.0
129.06992	5.9
131.08600	10.5
133.06511	6.0
133.10165	10.5
135.04445	5.3
135.08080	13.1
135.11739	3.3
136.07562	8.5
137.05995	9.2
137.09671	5.2
137.13240	3.0
139.07553	11.6
143.07065	10.7
143.08551	7.9
145.10097	19.1
146.10817	2.3
147.04430	7.2
147.08063	8.8
147.11682	100.0
149.09633	6.2
151.03868	3.6
151.07579	4.8
151.11234	2.3
152.07094	4.6
153.09062	2.7
156.09306	6.1
157.08659	4.7
157.10144	11.4
159.07935	2.5
159.11742	2.5
161.09610	2.8
161.13252	7.8
163.03836	3.3
163.07628	2.4
163.11186	7.1
165.12735	15.4
167.07040	4.8
169.12239	6.5
171.11667	15.3
173.09641	4.3
175.11180	20.0
181.04970	6.1
181.10179	3.1
187.06056	7.7
187.11108	3.1
189.12744	55.9
191.10655	2.3
193.12239	28.3
199.11194	17.5
205.07117	4.3
207.13803	46.3
209.15312	4.2
211.11462	3.2
211.13199	16.1
217.12196	52.0
225.14909	5.7
229.14273	4.6
235.13278	67.3
253.14340	99.9
257.13889	4.8
257.16849	2.3
263.11795	4.6
267.11334	2.5
267.15775	3.9
269.13614	2.9
271.15411	28.8
279.11206	3.1
289.16461	8.3
291.11411	2.9
313.16321	4.4
319.15598	3.4
331.17410	4.1
339.09830	3.0
343.15457	3.6
355.12967	3.4
361.16345	11.1
379.17578	26.1
397.18594	40.1
415.19528	27.4
433.20795	8.7
459.27570	2.9
460.18570	3.8
477.27835	2.6
486.16782	3.5
487.17117	3.6
488.17859	11.2
504.17569	8.9
599.24805	6.7
625.22491	4.4
643.23651	3.6
674.24695	7.7
674.34406	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	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01859	4.4
55.05506	16.3
57.03187	1.9
57.03437	16.2
61.02916	5.5
62.88016	1.4
67.05505	26.6
69.03418	5.0
69.07072	8.0
70.48550	5.0
71.04977	3.9
79.05484	26.7
81.03416	100.0
81.07055	34.2
83.04979	12.8
83.08612	24.6
85.02908	16.7
85.06535	1.8
85.07016	1.9
88.07618	1.6
91.03947	3.1
91.05477	32.3
93.07049	23.6
95.04967	34.5
95.08603	9.3
97.02898	4.1
97.06508	4.9
97.10172	6.6
98.20882	1.7
99.04442	1.7
105.07033	21.7
107.04975	9.2
107.08590	11.9
109.06503	6.0
109.10139	4.4
111.04443	2.9
111.08071	7.9
113.06001	1.9
115.05441	1.9
116.08974	1.4
117.07006	4.3
119.08590	19.3
121.06490	6.1
121.10134	9.8
123.04385	1.8
123.08074	5.1
124.22315	1.3
125.09626	4.8
129.07027	19.0
131.04929	1.9
131.08553	14.7
133.06468	4.5
133.10103	11.3
135.11674	2.8
142.07762	3.0
145.06439	2.8
145.10092	4.1
147.08057	6.1
147.11691	13.2
149.02306	1.8
149.09616	7.5
149.13197	3.1
157.10126	15.9
159.11665	2.8
163.11183	5.4
165.12808	2.1
175.11171	12.6
193.04877	1.9
193.12244	36.4
195.11674	1.5
211.13257	16.2
228.23242	2.8
239.85954	1.3
249.14838	2.2
267.15924	100.0
269.17599	8.0
273.14880	2.8
283.15353	13.2
285.16959	19.4
341.21124	1.6
349.21631	3.2
367.22714	8.7
369.19241	1.4
385.23706	9.5
403.24908	1.8
424.33112	1.4
433.25784	8.7
441.26401	3.7
459.27368	46.8
460.27582	2.0
477.28479	67.4
519.28949	2.2
674.35205	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	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02184	1.3
55.01864	3.0
55.05508	10.6
57.03439	11.9
57.07083	1.5
61.02919	3.0
67.05503	16.0
69.03414	3.9
69.07048	4.6
69.39238	10.3
71.04967	3.9
79.05495	13.9
81.03418	66.2
81.07055	18.3
83.04981	7.6
83.08616	18.7
85.02902	13.2
88.07639	2.7
91.05484	19.1
93.07047	12.4
95.04973	26.1
95.08612	8.3
96.65576	1.2
97.02898	2.8
97.06516	1.8
97.10153	4.1
98.21527	2.5
99.04454	1.4
99.08046	1.4
102.79334	1.1
105.07046	13.8
107.04970	7.0
107.08606	8.2
109.02892	1.4
109.06515	4.3
109.10134	3.8
111.04446	1.9
111.08101	6.5
115.05502	1.5
117.07027	2.4
119.04895	1.3
119.08587	14.7
121.06499	3.8
121.10124	6.8
123.08044	3.0
123.11606	1.4
125.09621	2.3
129.06982	9.1
131.08577	10.3
133.06488	2.6
133.10114	7.7
135.11633	2.2
137.09598	2.1
142.07732	3.2
145.06502	2.5
145.10091	2.7
147.08049	4.0
147.11682	9.1
149.02332	2.8
149.09584	6.2
157.10141	11.0
161.05896	1.7
163.11180	1.8
165.12723	2.9
171.11778	1.4
173.09770	1.5
175.11186	11.7
184.07301	1.6
193.12242	32.2
194.12524	1.5
211.13297	25.6
228.23213	4.5
229.14220	1.9
249.14706	2.2
267.15918	100.0
269.17535	2.3
273.14896	2.7
283.15424	3.0
285.16968	28.8
301.14203	1.4
331.05838	1.4
341.20819	2.1
346.08182	6.3
349.21570	4.1
367.22736	11.3
385.23779	13.6
403.24722	2.7
405.24023	1.7
433.25885	12.1
441.26154	4.4
456.10043	1.4
457.33536	1.3
457.39844	1.4
459.27441	49.9
460.27817	2.4
477.28482	38.8
477.39099	1.5
501.28552	1.7
516.06909	1.3
674.34875	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	674.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89594	0.6
54.51659	0.6
55.01873	4.3
55.05513	10.2
56.96544	0.7
57.02836	0.6
57.03439	9.4
57.07041	2.6
59.04978	1.8
61.02898	2.9
65.03935	1.2
67.05505	25.3
69.03416	1.4
69.07068	9.5
70.06609	4.4
71.01327	1.0
71.04954	2.1
71.51823	0.9
71.67883	0.7
72.67004	0.7
73.02893	1.5
79.05495	25.6
81.03415	8.4
81.07057	34.0
83.01317	4.1
83.04980	9.0
83.08621	10.4
85.02891	4.9
85.06499	2.2
88.07596	2.3
91.03925	1.2
91.05478	13.6
93.07043	27.4
95.04984	4.4
95.08064	1.1
95.08599	9.5
97.02891	3.1
97.06523	5.8
97.10126	1.8
99.04453	1.4
99.08047	1.1
102.09133	2.8
105.07024	7.0
107.04950	4.5
107.07912	0.9
107.08592	17.1
109.06503	5.2
109.10152	3.3
111.04433	1.3
111.08096	3.2
117.07018	5.8
119.08577	5.9
120.10234	0.7
121.06460	1.7
121.09335	1.1
121.10139	11.1
123.04437	0.8
123.08055	5.2
123.11691	1.6
125.05962	1.2
125.09618	1.7
127.07470	0.7
129.06984	1.5
130.07639	0.7
131.08553	4.6
131.92220	0.9
133.10107	5.0
135.08032	2.1
135.11684	7.5
137.09558	1.1
139.03838	0.8
145.10115	7.2
147.08034	1.3
147.11638	2.0
149.02338	12.9
149.03473	1.3
149.09642	1.3
149.13255	10.2
153.12776	1.0
153.43872	0.6
155.08549	1.2
159.11722	5.6
163.11166	12.2
167.10553	0.7
173.09610	1.7
175.11136	0.9
175.31956	0.6
177.12697	1.6
181.12199	2.8
181.13736	0.6
191.10591	1.3
193.04932	7.5
193.12189	1.3
195.13814	6.3
209.11719	2.8
221.79749	0.8
227.10782	0.7
227.12798	2.2
228.23242	10.9
237.07550	2.0
267.15866	2.0
269.17471	37.2
272.25833	3.7
283.15393	45.8
284.15820	1.3
322.30511	0.7
341.06519	1.5
359.07568	1.0
377.81021	0.8
385.09109	2.3
403.10114	1.5
429.11746	5.2
436.83057	0.7
459.27438	4.6
473.14203	2.4
477.28482	100.0
478.28809	2.1
674.35291	22.8
675.35724	1.8
688.76764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.2
53.96478	2.5
55.01856	8.8
55.05510	19.9
57.03426	10.8
61.02920	13.8
65.03942	4.3
66.40863	2.5
67.05508	36.9
69.03422	10.3
69.07078	18.0
69.28518	2.7
69.28831	28.7
71.04980	3.6
73.02927	7.4
79.05495	43.6
81.03417	55.3
81.07056	40.3
82.07363	3.4
83.04976	22.7
83.08610	17.7
85.02900	24.5
85.06528	2.7
86.09695	5.9
91.03944	8.6
91.05479	59.4
92.05803	4.7
93.07053	35.1
94.07353	4.2
95.04974	25.6
95.08611	18.6
97.02881	11.6
97.06528	14.0
97.10153	5.6
99.08088	3.7
102.37706	3.3
105.07030	48.2
106.07355	4.7
107.04982	22.3
107.08587	11.6
109.02885	5.8
109.06508	11.1
109.10147	6.7
111.08080	7.0
115.05456	3.3
117.07005	5.3
119.04916	4.1
119.08591	31.3
120.08909	4.3
121.06497	7.7
121.10144	15.1
123.08073	2.8
124.99949	3.6
127.03904	6.7
129.07065	13.0
131.08578	23.1
133.10127	31.9
134.10477	5.2
135.01431	2.8
135.11650	3.9
136.73926	2.9
141.06908	3.2
142.07706	3.4
145.10089	8.8
147.08022	4.2
147.11674	21.8
148.11981	3.5
149.09610	11.5
157.10159	16.4
159.11664	5.0
163.11160	4.8
165.09142	4.1
175.11159	20.6
184.07309	15.3
193.12238	37.2
207.06497	3.0
211.13254	32.6
267.15915	100.0
269.17441	7.9
275.20023	17.6
276.20453	16.4
283.15311	5.4
285.16974	21.1
343.78497	2.6
349.23669	10.5
350.23935	9.6
356.99927	3.0
400.50906	3.1
454.72794	3.1
459.27457	85.6
477.28479	78.6
478.29193	4.2
652.99158	3.8
674.39093	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	674.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.9
54.85841	0.3
55.01863	0.3
55.04256	0.5
55.96600	0.3
56.52729	0.3
68.99791	0.7
69.03416	0.5
70.06588	100.0
71.06914	0.5
73.77538	0.3
81.03419	0.6
81.07066	0.6
89.03918	0.6
91.05460	0.6
95.04973	0.5
98.20778	1.0
100.56148	0.3
103.05474	0.6
107.04923	1.6
109.06482	0.5
117.03391	0.5
119.04947	1.1
119.44106	0.3
123.04427	8.0
131.04944	0.5
132.72932	0.4
135.04405	20.9
137.02313	0.4
137.05971	5.2
137.06960	0.4
139.03888	5.6
147.04448	1.2
149.05933	0.3
151.03888	1.7
153.05482	1.0
159.04469	1.0
161.06044	0.8
163.03897	23.6
164.04619	0.8
165.05470	14.2
169.06549	0.3
173.06027	0.9
175.03923	0.8
177.05452	2.2
179.03363	0.6
181.06432	0.4
187.03915	3.5
187.07637	0.4
189.05478	1.2
191.03438	0.4
193.04982	0.3
201.05487	1.1
203.03392	0.6
203.07130	0.4
205.04980	1.7
211.07610	0.6
213.05547	0.4
215.07167	0.8
217.04924	0.4
223.07666	0.3
227.06938	0.3
229.04893	2.5
239.07043	1.0
241.04990	1.0
243.06517	1.0
251.06941	0.3
255.06670	0.3
257.08218	0.4
259.06131	0.9
267.06482	1.5
269.08160	0.8
271.05948	3.7
273.07706	0.4
281.08118	0.6
283.03439	0.4
283.05966	1.8
285.07556	9.5
289.07202	0.5
295.05960	2.2
297.07581	1.9
299.09256	0.8
301.07016	2.0
309.07614	1.6
313.07083	4.1
315.08725	1.2
325.07062	3.0
327.08618	4.0
384.14502	3.1
411.10840	1.0
435.11005	0.7
447.10818	3.0
453.12000	1.1
465.11740	4.7
536.98499	0.3
605.16583	0.4
617.16492	5.7
647.16119	0.3
674.22290	22.2
675.22119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.3
55.01880	19.8
55.05507	33.6
57.03435	30.2
57.07069	3.4
61.02666	2.7
61.02932	42.4
65.03936	5.6
67.05500	72.5
69.03428	65.0
69.07064	36.0
69.22753	30.1
71.01334	7.1
71.05001	14.8
73.02923	22.1
73.70915	2.6
79.05489	60.6
81.03416	76.3
81.07052	93.3
83.04982	29.9
83.08607	17.7
85.02905	75.6
85.06551	8.2
87.04451	7.2
91.03959	21.4
91.05483	70.5
93.06490	5.7
93.07039	68.9
95.01326	3.4
95.04961	25.5
95.08607	47.8
97.02893	79.4
97.06529	18.5
97.10143	11.5
99.04456	17.0
99.08081	12.3
101.02358	8.4
103.03929	8.3
103.04586	2.5
103.05426	5.9
105.07030	51.7
107.04957	21.7
107.08587	54.5
109.02875	26.0
109.06532	12.9
109.10154	26.8
111.04440	13.4
111.08075	8.9
115.05415	3.3
117.07023	25.6
119.08574	47.2
121.06477	7.6
121.10147	29.3
123.04423	5.2
123.08053	9.5
123.11739	5.4
125.09610	10.6
127.03915	41.8
127.07568	2.6
129.05464	11.2
129.07004	15.5
131.04932	4.2
131.08559	34.6
133.06508	6.4
133.10123	34.8
135.08043	8.7
135.11642	14.9
137.05945	5.7
137.09590	10.3
139.03922	4.1
141.06953	5.4
143.08543	13.5
145.04953	15.0
145.06471	5.8
145.10136	25.6
147.04460	4.5
147.08057	7.9
147.11694	27.3
149.09625	20.8
149.13232	17.0
151.11151	4.5
153.05473	4.3
155.08543	7.6
157.10149	18.1
159.07968	3.3
159.11681	26.0
161.09579	6.9
161.13219	11.1
163.11171	9.8
165.09019	3.4
165.12668	4.5
169.10042	6.6
171.11681	12.7
173.04475	21.6
173.09607	4.3
173.13268	10.9
175.11099	8.3
177.12695	14.6
178.15361	2.9
179.14265	6.0
181.10240	3.1
183.06532	12.0
183.11621	6.0
184.07364	3.8
185.13223	6.7
187.11220	3.8
189.09061	3.4
189.11186	10.6
193.12216	6.3
195.11833	4.6
195.13771	14.9
197.13232	5.9
199.14792	3.6
201.07526	6.6
201.12708	4.6
207.06540	2.8
213.12817	4.1
213.14842	7.3
215.14340	3.1
217.15845	3.0
219.13890	3.2
223.13148	3.6
227.12721	3.3
229.14230	4.1
229.19489	5.8
239.10576	4.5
239.17902	9.8
247.20509	4.5
257.19125	16.3
261.15234	3.0
267.15985	3.7
269.17441	36.0
275.16934	4.2
275.20047	83.6
276.20215	4.1
279.30707	3.0
291.19675	5.3
293.21173	7.0
297.16916	3.0
331.22617	7.0
339.17929	5.1
341.20886	3.7
349.23718	100.0
351.25504	2.9
353.20459	3.9
373.23792	4.2
377.19339	3.6
383.22293	3.0
389.18201	2.8
391.24658	6.9
395.20599	6.8
397.55334	2.9
413.21774	23.7
415.24457	3.5
419.24033	3.9
433.25519	4.2
457.25589	5.8
475.26987	8.8
492.66104	2.7
493.28278	18.5
501.22476	3.0
511.13596	5.6
511.28705	20.2
622.80920	3.1
673.33612	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	673.246
Annotation	Cryptophycin 175
Peak:m/z	Relative Intensity
50.77127	0.4
55.05507	0.8
67.05493	1.1
67.43127	0.4
69.03427	0.7
69.07034	0.6
69.98008	2.2
71.04984	0.5
79.05500	0.5
81.03410	1.1
81.07046	2.0
82.23251	0.5
83.04970	0.4
83.08629	0.7
85.02919	0.9
91.05473	1.5
93.07050	1.4
95.04974	0.7
95.08609	1.5
97.02915	0.8
105.07033	1.4
107.04967	0.5
107.08617	1.3
109.02894	1.0
109.06494	0.5
109.10143	1.3
113.34827	0.4
117.07014	0.5
117.62419	0.4
119.04986	0.4
119.08580	1.6
121.06460	0.7
121.10116	1.1
123.04432	0.5
129.07034	0.4
133.10136	0.7
135.04428	0.6
135.08000	0.4
135.11720	0.4
137.05992	0.9
147.04433	1.4
147.11699	0.6
149.09662	0.6
151.03870	0.6
161.09572	0.6
165.09116	0.6
167.07076	0.9
175.03963	1.5
177.05365	0.7
207.06561	3.9
209.03130	0.4
210.78520	0.4
211.13383	0.4
235.07619	0.5
317.08566	2.5
330.26492	0.4
352.25430	0.4
363.12091	1.3
364.12827	1.6
369.11713	0.6
378.14261	0.4
379.15152	28.3
380.15582	1.3
434.18365	0.4
487.21317	0.5
673.24591	100.0
674.24939	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	673.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.3
55.01880	19.8
55.05507	33.6
57.03435	30.2
57.07069	3.4
61.02666	2.7
61.02932	42.4
65.03936	5.6
67.05500	72.5
69.03428	65.0
69.07064	36.0
69.22753	30.1
71.01334	7.1
71.05001	14.8
73.02923	22.1
73.70915	2.6
79.05489	60.6
81.03416	76.3
81.07052	93.3
83.04982	29.9
83.08607	17.7
85.02905	75.6
85.06551	8.2
87.04451	7.2
91.03959	21.4
91.05483	70.5
93.06490	5.7
93.07039	68.9
95.01326	3.4
95.04961	25.5
95.08607	47.8
97.02893	79.4
97.06529	18.5
97.10143	11.5
99.04456	17.0
99.08081	12.3
101.02358	8.4
103.03929	8.3
103.04586	2.5
103.05426	5.9
105.07030	51.7
107.04957	21.7
107.08587	54.5
109.02875	26.0
109.06532	12.9
109.10154	26.8
111.04440	13.4
111.08075	8.9
115.05415	3.3
117.07023	25.6
119.08574	47.2
121.06477	7.6
121.10147	29.3
123.04423	5.2
123.08053	9.5
123.11739	5.4
125.09610	10.6
127.03915	41.8
127.07568	2.6
129.05464	11.2
129.07004	15.5
131.04932	4.2
131.08559	34.6
133.06508	6.4
133.10123	34.8
135.08043	8.7
135.11642	14.9
137.05945	5.7
137.09590	10.3
139.03922	4.1
141.06953	5.4
143.08543	13.5
145.04953	15.0
145.06471	5.8
145.10136	25.6
147.04460	4.5
147.08057	7.9
147.11694	27.3
149.09625	20.8
149.13232	17.0
151.11151	4.5
153.05473	4.3
155.08543	7.6
157.10149	18.1
159.07968	3.3
159.11681	26.0
161.09579	6.9
161.13219	11.1
163.11171	9.8
165.09019	3.4
165.12668	4.5
169.10042	6.6
171.11681	12.7
173.04475	21.6
173.09607	4.3
173.13268	10.9
175.11099	8.3
177.12695	14.6
178.15361	2.9
179.14265	6.0
181.10240	3.1
183.06532	12.0
183.11621	6.0
184.07364	3.8
185.13223	6.7
187.11220	3.8
189.09061	3.4
189.11186	10.6
193.12216	6.3
195.11833	4.6
195.13771	14.9
197.13232	5.9
199.14792	3.6
201.07526	6.6
201.12708	4.6
207.06540	2.8
213.12817	4.1
213.14842	7.3
215.14340	3.1
217.15845	3.0
219.13890	3.2
223.13148	3.6
227.12721	3.3
229.14230	4.1
229.19489	5.8
239.10576	4.5
239.17902	9.8
247.20509	4.5
257.19125	16.3
261.15234	3.0
267.15985	3.7
269.17441	36.0
275.16934	4.2
275.20047	83.6
276.20215	4.1
279.30707	3.0
291.19675	5.3
293.21173	7.0
297.16916	3.0
331.22617	7.0
339.17929	5.1
341.20886	3.7
349.23718	100.0
351.25504	2.9
353.20459	3.9
373.23792	4.2
377.19339	3.6
383.22293	3.0
389.18201	2.8
391.24658	6.9
395.20599	6.8
397.55334	2.9
413.21774	23.7
415.24457	3.5
419.24033	3.9
433.25519	4.2
457.25589	5.8
475.26987	8.8
492.66104	2.7
493.28278	18.5
501.22476	3.0
511.13596	5.6
511.28705	20.2
622.80920	3.1
673.33612	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	673.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01855	0.5
57.03406	0.9
61.02887	0.9
69.03427	3.2
70.06567	0.5
71.04950	0.3
71.48119	0.3
71.50570	0.4
71.50935	0.4
73.02887	0.4
78.48270	0.3
79.10315	0.3
81.03406	1.4
83.04945	0.3
85.02903	7.6
87.04426	0.3
90.70899	0.3
91.03932	0.6
91.34959	0.3
95.08517	0.3
97.02885	2.5
99.04478	0.5
108.97141	0.3
109.02860	0.9
123.04396	0.8
127.03898	1.2
129.56110	0.4
135.04439	0.3
139.03871	0.5
139.71889	0.3
145.04950	1.3
153.01830	0.4
153.05420	0.3
159.95515	0.3
163.03851	0.5
167.49576	0.3
177.05530	0.4
192.41368	0.3
193.44460	0.3
207.06418	0.4
231.08087	0.6
233.06026	0.5
247.07620	1.6
249.05296	0.4
251.06976	0.5
257.06171	0.4
259.07538	0.6
266.05798	0.5
275.07037	3.5
276.07697	0.5
277.08710	1.0
279.06421	2.1
285.05420	0.8
287.07007	0.9
289.04990	0.4
293.08063	0.9
303.06522	13.8
304.06949	1.3
313.04898	1.7
320.06448	0.4
321.07458	2.6
331.05997	62.1
332.06732	17.3
333.07123	0.7
335.05548	0.4
347.05215	0.4
348.06265	4.2
349.07040	100.0
350.07446	4.6
453.11749	0.4
481.11365	0.5
505.99655	0.4
511.12231	1.5
521.14618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
57.03432	5.0
57.07074	45.2
59.42695	0.7
61.02924	14.8
67.05501	12.7
68.05853	0.6
69.03416	1.5
69.07066	8.2
69.45580	6.0
69.87260	0.6
71.04987	1.1
71.08628	37.3
73.02905	5.0
75.04457	1.9
79.05478	2.9
81.03411	1.2
81.07050	19.4
83.08616	11.8
85.02901	14.1
85.10178	21.0
89.06019	1.6
91.03951	12.6
91.05473	1.6
93.07041	2.0
95.08601	27.4
97.02886	8.5
97.10184	5.8
99.04457	1.4
99.11716	1.5
103.07645	1.1
105.07036	0.9
107.04977	1.2
107.08567	1.2
109.10146	11.7
111.11677	1.6
117.06984	0.8
120.92258	0.7
123.11708	4.9
127.03935	4.4
135.11757	0.7
137.13235	2.6
145.04955	6.7
149.13210	0.8
163.06003	7.5
221.22780	1.1
239.23688	24.0
239.26143	1.2
257.24713	3.7
313.27350	100.0
314.27731	2.4
331.28394	24.3
339.87842	0.7
475.32550	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	672.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01859	1.1
55.05511	5.9
57.03441	3.8
57.07066	0.8
61.02921	0.8
62.10283	0.4
62.57477	0.4
65.03932	1.0
67.05503	23.5
67.10235	0.4
69.03423	0.6
69.06734	0.6
69.07066	7.3
70.98852	0.9
71.04980	1.6
73.06543	0.8
77.03941	0.6
79.05491	24.9
81.03419	3.1
81.07054	26.3
83.04980	5.0
83.08627	4.0
85.02894	1.4
85.06516	1.2
86.09714	0.5
91.03963	0.5
91.05476	17.6
93.07040	28.0
94.07397	0.5
95.04457	0.6
95.04982	6.3
95.08602	11.4
97.02879	0.8
97.06519	3.5
97.10163	1.0
99.08090	1.1
105.04512	0.8
105.07027	11.6
107.04961	1.6
107.08590	11.9
107.09314	0.7
109.06538	2.2
109.10153	2.3
111.08061	2.4
115.05499	1.0
117.07011	5.0
117.62646	0.4
119.08571	7.0
121.06493	1.2
121.10144	6.4
123.08077	1.5
123.11716	0.7
125.09631	0.6
128.06184	0.6
129.07008	4.6
131.04988	0.4
131.08566	2.6
133.06462	0.7
133.10123	4.6
135.08073	1.4
135.11687	2.9
137.06029	0.6
137.09541	0.5
141.07059	0.5
143.08554	2.4
145.06525	0.5
145.10127	2.6
146.11342	0.4
147.04219	0.4
147.08075	0.9
147.11670	9.4
148.11908	0.5
149.09669	0.6
149.13258	6.8
150.29916	0.4
153.05438	0.8
159.11710	3.7
161.09586	2.0
161.13263	3.2
163.11230	0.4
171.11676	7.6
177.12793	1.1
179.07033	0.6
185.09714	0.4
189.12714	3.3
195.13753	3.1
201.12755	0.9
207.13805	10.1
213.14839	0.7
225.14786	1.0
238.10440	0.4
263.16446	0.6
269.17471	25.4
270.17850	0.5
281.17465	22.5
283.15579	0.6
475.30539	100.0
476.30728	2.5
619.29901	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	671.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.0
53.03940	9.9
55.01867	9.3
55.05508	29.3
57.03433	9.9
57.07072	3.0
59.05005	2.1
65.03934	6.7
67.05501	84.3
69.03088	2.6
69.03426	28.0
69.07066	27.8
69.27946	1.5
69.48642	8.2
69.49050	4.0
71.01365	2.5
71.04985	6.3
72.09714	1.5
73.02911	2.3
76.34630	1.6
79.05017	2.6
79.05489	70.7
81.03416	33.2
81.07049	100.0
83.04966	14.1
83.08620	18.8
85.02899	7.2
85.06544	5.8
91.05478	77.9
93.07040	71.8
95.04958	23.8
95.08601	47.1
96.74863	1.8
97.02882	9.8
97.06525	8.6
97.10178	4.3
98.21603	2.0
99.04453	5.5
99.08088	2.7
103.03976	2.0
103.05458	5.2
105.03363	1.8
105.04503	2.1
105.07027	61.2
107.04958	16.7
107.08585	39.5
109.02877	8.0
109.06534	9.8
109.10149	16.7
111.04450	5.6
111.08057	5.0
113.05977	2.4
113.09644	1.7
115.05459	6.5
116.06243	2.3
117.07014	32.6
119.04919	2.2
119.08575	46.3
121.06506	12.3
121.10148	23.5
123.04427	3.3
123.08080	7.9
123.11715	8.4
124.12608	1.5
125.09583	2.9
127.03922	3.2
128.06221	9.8
129.05568	2.5
129.07010	29.3
130.07738	3.6
131.08557	45.4
131.09532	3.3
133.06509	6.6
133.10107	30.7
135.08070	9.4
135.11674	15.5
137.06017	2.4
137.09616	4.1
141.06935	12.5
142.07780	7.6
143.08557	28.6
144.09364	2.9
145.06508	9.4
145.10097	29.8
147.08070	6.7
147.11678	25.7
149.09624	6.5
149.13254	14.5
151.07530	2.2
151.11121	3.7
153.07002	4.2
154.07855	3.7
155.08545	20.0
156.09320	2.9
157.06523	6.7
157.10121	20.8
159.08058	9.6
159.11673	25.4
161.09692	6.1
161.13277	7.3
163.11244	4.8
165.06973	4.1
165.09091	2.8
165.12793	5.7
167.08601	11.9
168.09381	3.6
169.10120	17.5
170.07234	2.0
171.08055	7.9
171.11684	19.4
173.09743	3.7
173.13266	12.8
175.07654	3.2
175.11183	5.7
175.14865	4.5
177.12785	6.4
179.08606	6.0
181.10066	13.1
182.10829	1.7
183.08070	4.7
183.11707	16.5
185.09650	8.2
185.13216	12.1
187.11230	5.0
187.14865	3.2
189.12778	3.7
189.16321	2.1
193.10175	5.5
195.08005	3.1
195.11737	12.3
195.13821	7.4
197.09598	6.2
197.13266	9.8
199.11229	6.6
199.14859	7.0
201.12744	4.8
205.10251	3.0
207.11687	6.9
209.09709	4.2
209.13290	8.6
211.11223	3.7
211.14827	5.8
213.12721	5.4
213.14676	2.3
213.16451	2.1
215.14407	3.9
215.18288	1.8
219.11769	3.6
219.13803	1.9
221.13301	4.1
223.11250	5.0
223.14798	3.5
225.12805	3.5
225.16321	2.4
227.14331	3.3
229.12253	2.6
235.14801	5.5
237.12753	2.4
237.16519	3.9
239.14374	4.6
239.17957	3.2
241.19510	3.5
251.14272	2.2
251.18102	2.2
253.15736	2.2
253.19557	2.4
257.19049	3.2
259.20609	6.9
267.15997	6.2
269.17410	18.3
271.17148	2.8
271.20541	4.0
275.20108	4.0
281.18961	2.6
283.20517	2.7
285.17053	5.1
287.20059	2.9
289.21957	2.4
295.20428	2.3
297.22247	3.7
299.19916	4.1
301.21753	4.0
311.19925	2.8
313.21606	5.2
315.23056	2.7
321.16925	2.3
321.22086	3.5
325.21838	4.5
327.23267	3.6
331.22925	2.9
339.23294	6.8
341.20874	2.7
341.24716	2.5
343.22784	2.2
349.21619	9.9
351.23016	8.3
355.22504	2.3
367.22623	15.8
369.24374	5.0
373.24344	2.6
383.21561	2.0
385.23697	9.7
387.25659	3.1
394.09949	1.8
423.25534	2.6
441.26428	7.3
443.27963	3.7
459.27438	4.6
467.65076	1.9
497.33679	2.1
505.92728	1.8
525.35028	3.5
527.36993	5.5
530.39172	3.2
537.77698	2.0
543.34937	3.7
551.37036	2.1
561.35889	2.9
575.37421	1.8
579.36969	3.3
581.38367	4.7
593.38251	3.5
597.37378	2.1
611.39703	2.5
617.38733	4.5
623.39435	6.4
625.40076	1.6
635.39307	26.6
653.40326	37.8
654.40631	2.7
671.41504	78.1
672.41699	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	671.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.01878	9.9
55.05511	31.9
57.03440	9.6
57.07061	5.7
61.26826	2.0
65.03921	6.7
67.05504	84.1
69.03426	28.0
69.07070	27.0
69.33081	16.4
71.01349	2.3
71.04985	7.5
79.05489	68.7
81.03415	33.5
81.07055	100.0
83.04977	14.5
83.08620	20.0
85.02898	9.0
85.06514	5.7
91.05479	71.7
93.07042	69.7
95.04958	24.8
95.08607	40.7
97.02891	8.3
97.06522	11.2
97.10165	6.7
99.04446	5.3
99.08099	3.7
103.05466	3.5
105.06319	2.8
105.07022	55.4
107.04948	22.9
107.07889	3.1
107.08591	43.6
109.02868	6.1
109.06504	9.4
109.10156	14.4
111.04439	4.6
111.08092	6.2
115.05435	6.6
116.06241	3.3
117.07010	35.1
119.04947	3.1
119.08580	37.7
121.06492	10.9
121.10149	20.6
123.04402	2.5
123.08088	5.4
123.11704	6.5
125.09617	2.4
127.03911	3.7
128.06239	6.6
129.05501	2.3
129.06999	25.9
130.07825	2.9
131.04929	3.6
131.08562	37.9
133.06459	8.7
133.10124	31.8
135.08098	9.9
135.11708	10.8
137.06042	1.9
137.09575	4.6
141.07014	12.9
142.07747	4.2
143.08565	24.0
144.05714	2.1
145.06516	7.7
145.10104	27.9
147.08035	6.6
147.11678	28.6
149.09621	7.7
149.13243	14.3
151.11221	3.2
153.06956	2.9
154.07776	4.4
155.08540	21.0
156.09311	2.3
157.06529	5.4
157.10147	20.8
159.08046	8.7
159.11673	23.5
161.05997	3.5
161.09634	5.6
161.13266	7.1
163.11151	3.5
165.06979	6.0
165.12695	4.6
166.07687	3.9
167.08545	11.7
168.09378	3.3
169.06520	3.1
169.10120	19.0
171.08090	7.6
171.11679	17.4
173.09636	6.5
173.11992	2.3
173.13271	12.9
175.11224	7.1
175.14749	4.5
177.12802	4.8
178.07823	2.1
179.08571	2.6
180.09302	2.4
181.10109	15.8
182.10977	2.2
183.08072	6.0
183.11671	16.0
185.09604	8.5
185.13216	12.5
187.07544	2.6
187.11166	5.8
187.14815	5.2
189.12715	3.2
191.10623	1.9
193.10158	7.2
193.12099	2.8
195.08080	3.3
195.11723	10.0
195.13824	8.7
197.09593	3.3
197.13251	14.7
199.11163	5.4
199.14806	4.1
201.12793	3.3
205.10223	4.0
207.11713	6.5
209.09689	4.7
209.13344	8.7
211.11104	3.7
211.14835	4.5
213.12766	6.7
215.14438	2.7
217.12146	2.7
219.11739	1.9
221.09619	2.3
221.13287	5.6
223.11159	4.8
223.14836	4.2
225.12750	5.2
227.14400	3.4
229.12265	2.1
233.13377	3.9
235.14893	2.5
237.12723	3.5
237.16460	2.4
239.14380	2.1
239.18158	2.1
241.19456	2.7
251.14153	2.0
251.39275	2.0
253.16025	2.5
257.13022	2.1
257.19083	3.0
259.20627	8.2
265.19470	2.4
267.15848	4.5
269.17380	17.0
271.20599	3.7
273.22046	2.4
275.20221	3.6
283.20612	3.8
285.17123	3.7
287.20053	3.3
295.20520	4.7
297.22003	2.8
299.20166	6.0
309.21982	2.1
313.21573	6.0
315.23184	3.4
315.52429	2.0
321.22156	6.2
325.21573	3.4
327.23135	2.4
337.21805	3.3
339.23273	6.0
343.22617	4.3
349.21368	10.6
351.23035	10.4
367.22748	17.4
369.24451	5.9
385.23853	8.3
423.25214	3.5
441.26273	9.4
459.27499	8.6
525.35065	2.2
527.37775	4.4
530.39380	11.5
543.35907	3.3
551.37805	3.8
555.36438	3.5
561.35657	3.1
579.36658	3.9
581.38428	6.4
593.38458	3.2
607.39417	2.4
617.38342	6.5
623.39502	7.1
635.39270	28.1
653.40436	39.3
671.41418	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.8
55.01867	13.6
55.05510	38.1
55.60367	2.2
57.03425	12.1
57.07064	4.0
57.31728	2.7
59.05009	3.9
65.03937	10.2
67.05499	95.0
69.03422	26.1
69.07063	30.9
71.04984	11.1
71.52480	4.5
79.05486	71.8
79.05923	5.4
81.03416	48.9
81.07050	100.0
83.04974	16.4
83.08618	21.9
85.02899	10.5
85.06527	7.8
91.05475	91.0
91.06029	6.1
93.07034	86.1
95.04967	36.6
95.08600	55.5
97.02879	10.5
97.06527	11.0
97.10177	12.4
99.04461	4.0
99.08066	4.5
105.04517	5.5
105.07017	66.7
107.04940	27.0
107.08593	44.5
109.02874	10.7
109.06503	12.2
109.10149	18.7
111.04434	8.8
111.08060	10.5
115.05435	8.6
117.07020	32.0
119.04916	3.0
119.08573	42.2
121.06525	16.5
121.10127	33.2
123.04370	3.6
123.08086	5.2
123.11697	8.2
125.09630	6.9
127.03909	6.0
128.06227	10.5
129.06972	25.9
131.04927	8.3
131.08554	44.3
133.06473	12.9
133.10138	27.0
135.04480	2.8
135.08061	8.0
135.11647	17.0
137.05991	6.7
137.09578	4.7
139.07550	2.7
141.06995	11.3
142.07748	7.2
143.08582	16.1
145.06497	13.1
145.10121	27.1
147.08051	13.6
147.11678	24.0
149.09624	8.5
149.13254	11.4
151.07645	2.6
153.07016	2.5
154.07809	5.4
155.08543	14.3
157.06479	6.6
157.10089	20.3
159.08035	6.1
159.11674	23.3
161.05972	6.6
161.09618	11.0
161.13226	5.1
163.07558	5.7
163.11206	5.5
165.06911	2.8
165.12721	6.6
167.08574	10.2
169.10133	17.2
171.08055	6.3
171.11688	11.5
173.09662	7.1
173.13272	12.6
173.18181	2.8
175.07600	3.5
175.11192	7.1
175.14740	3.9
177.12688	3.1
179.08591	4.1
181.10129	9.0
183.08011	3.6
183.11696	9.9
185.09589	7.0
185.13260	10.8
187.11220	4.4
187.14751	4.2
189.11128	3.6
189.12711	4.2
189.41920	3.1
193.10226	5.6
193.12206	9.6
195.11681	7.4
195.13762	4.8
197.09576	6.1
197.13258	6.1
199.11235	6.4
199.14795	4.6
201.12697	6.3
207.11723	6.5
207.13730	3.5
209.09680	3.6
209.13255	7.7
209.29277	2.7
211.11269	4.6
211.13249	6.4
211.14978	6.4
213.12836	4.6
213.16505	3.7
221.13315	6.9
223.11125	2.9
223.14862	3.4
225.12877	2.8
227.14400	5.7
237.12622	4.6
239.18166	3.0
259.20615	5.0
266.90167	2.8
267.15829	14.2
269.17432	8.8
273.18512	7.3
275.20010	3.2
277.21765	3.0
285.17212	5.7
291.19556	15.6
297.22037	3.1
299.19852	3.3
313.21698	3.5
315.23114	2.8
317.21222	3.4
317.24802	3.3
319.15356	4.7
325.21658	3.5
331.22607	4.6
335.25888	17.4
339.17764	3.1
339.23251	5.7
349.21567	3.3
351.23325	4.2
353.24731	3.0
367.22781	6.9
369.24158	8.5
385.23669	3.5
387.25284	4.5
395.20547	3.1
443.27811	3.6
500.24988	6.4
517.05756	2.9
527.37042	7.5
530.39575	4.3
543.35486	5.8
545.38452	5.7
559.35693	3.6
573.37592	3.4
581.37396	3.5
607.40137	4.2
623.39441	5.1
625.37488	5.3
635.39594	17.2
636.30029	6.1
653.40356	32.1
671.41528	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	671.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05505	1.0
57.03432	0.6
57.07063	0.5
65.03929	1.1
67.05489	1.6
69.03422	1.9
69.07051	2.1
71.19196	0.8
73.02919	0.5
75.69630	0.4
76.64884	0.4
77.03924	1.0
79.05488	1.5
81.03414	2.7
81.07057	4.0
83.08613	0.7
85.02900	2.3
85.06498	0.6
89.03913	1.3
91.05480	21.1
93.07050	3.0
95.04966	1.2
95.08609	2.5
97.02898	0.7
97.06523	0.8
97.10185	0.6
99.04489	0.7
103.05466	0.7
105.03439	0.5
105.07028	1.8
107.04962	1.0
107.08585	2.1
109.02858	1.7
109.06522	1.1
109.10144	2.1
111.00761	0.6
111.04465	0.8
113.09624	1.0
113.51647	0.4
117.03401	1.2
117.06977	0.5
119.04939	29.5
119.08559	1.7
121.02830	1.0
121.06551	0.9
121.10125	3.2
122.03577	0.6
123.04436	0.9
123.08075	0.5
123.11707	1.3
125.09574	0.6
127.03893	1.7
131.04907	0.9
131.08536	1.0
132.02058	0.8
133.10152	0.7
135.04419	1.3
135.11687	1.1
136.05161	0.5
137.02327	2.2
137.05893	1.2
137.09624	0.8
137.67784	0.4
139.03748	0.5
139.11223	0.6
139.13318	0.5
139.50629	0.4
145.02867	4.0
145.05046	0.5
145.10181	0.7
147.04405	26.8
147.11688	1.3
149.02330	0.9
149.05977	1.0
149.09613	1.2
151.03856	0.7
151.11140	0.6
153.01816	3.2
153.05782	0.5
153.12735	0.9
157.03943	2.7
159.11641	1.0
163.03903	2.3
164.04634	0.7
165.01768	1.1
165.09132	0.5
165.12872	0.5
167.03387	1.0
167.07082	0.7
167.10655	1.0
175.03900	50.0
177.05458	7.4
179.07050	2.9
183.02783	0.8
192.04166	0.8
193.12111	0.5
201.05466	1.5
207.06519	100.0
208.06857	1.2
217.19608	0.5
229.04944	2.6
257.04456	1.9
285.04022	0.7
291.08566	0.9
303.04965	64.0
303.23132	0.7
304.05405	1.1
321.24103	1.7
329.06888	0.6
339.11447	0.7
351.10883	1.8
369.11801	10.8
425.61603	0.8
447.27286	0.6
465.28601	0.9
484.34076	0.7
491.08176	0.6
520.25134	0.5
527.71405	0.6
540.10620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01869	10.3
55.05267	4.4
55.05508	40.3
56.24409	2.3
57.03434	15.1
57.07070	2.6
57.19216	2.6
59.04993	3.0
61.02921	4.1
65.03938	2.6
67.01014	2.1
67.05501	54.2
69.03417	24.9
69.07053	21.4
69.33977	5.9
69.34396	16.0
70.06599	2.8
71.05003	12.1
73.02917	2.4
79.05491	51.0
81.03416	95.2
81.07056	57.1
81.07526	2.8
83.04988	27.6
83.08618	33.9
85.02905	21.8
85.06543	6.4
91.03967	2.4
91.05476	50.3
93.06486	4.5
93.07038	53.2
95.04962	36.0
95.08607	36.1
97.02898	14.0
97.06529	9.6
97.10168	39.1
99.04440	4.3
99.08087	3.4
103.05457	4.3
105.07029	36.5
107.04965	26.2
107.08598	37.3
109.02872	8.0
109.06521	19.1
109.10149	25.2
111.04445	8.4
111.08065	14.5
113.05987	2.6
115.05432	3.0
117.07000	14.6
119.04932	6.5
119.08578	33.2
121.06501	17.4
121.10133	28.3
123.04415	8.4
123.08079	10.0
123.11707	9.8
125.09631	27.1
127.03926	8.2
129.05539	5.6
129.06993	15.6
131.04924	11.7
131.08549	27.7
133.06493	9.8
133.10132	19.5
135.07996	13.2
135.11687	14.1
137.05975	7.9
137.09616	7.1
137.13191	3.2
139.03912	2.9
141.06973	6.4
143.08588	8.1
145.06499	15.4
145.10107	15.2
147.04417	9.6
147.08066	11.1
147.11668	24.2
149.06010	4.2
149.08580	2.5
149.09599	15.1
149.13245	5.9
151.03929	2.7
151.07491	4.0
151.11168	5.6
153.09126	6.8
153.12778	3.4
155.08580	3.4
157.06465	4.5
157.10130	13.7
159.08023	5.0
159.11679	7.6
161.06017	3.5
161.09593	5.6
161.13245	5.2
161.43379	2.7
163.07500	5.1
163.11200	9.5
165.09117	6.9
165.12733	3.4
167.07130	2.8
167.10750	3.9
169.10136	3.0
171.08032	4.3
171.11650	4.9
173.04472	7.5
173.13200	4.6
175.04002	4.7
175.11195	12.0
177.05492	4.5
181.12213	2.9
185.09650	2.8
185.13229	4.1
187.11253	2.5
187.14767	4.1
189.11227	14.0
189.12761	5.6
191.10649	3.3
191.14413	3.8
191.17946	9.6
193.12218	26.5
195.11737	3.0
197.13348	4.6
199.11266	3.5
199.13225	4.4
203.17976	4.7
205.12231	5.0
205.15889	3.7
207.06480	8.4
211.13306	22.8
215.14320	4.6
217.12173	3.0
219.13805	6.7
227.12640	12.5
233.15320	12.8
237.12636	2.9
237.14818	3.1
243.13875	3.3
249.14879	7.5
267.15872	35.2
273.14780	8.4
275.16348	2.4
277.14264	2.7
285.17065	3.4
293.17502	4.4
301.14340	3.9
303.05795	7.4
304.06870	5.8
305.07077	6.6
339.23169	4.3
341.28320	3.9
349.21579	9.8
357.24310	3.9
367.22745	25.1
385.23691	37.9
403.24741	14.2
410.35211	3.2
423.25348	3.8
435.26651	2.5
437.09473	2.9
441.26343	8.7
449.10583	2.4
459.27393	94.9
477.09573	3.0
477.28467	100.0
478.10211	3.1
479.10327	5.8
491.30008	17.9
509.31039	17.3
621.32275	8.0
653.35101	4.6
671.35150	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	671.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01870	0.3
60.08542	0.3
65.03928	1.6
67.05493	0.3
68.99786	0.4
69.03408	0.4
71.02950	0.6
77.03912	0.7
81.03405	0.5
85.02883	0.4
89.03908	0.5
91.05473	23.1
92.05804	0.3
95.04942	0.5
103.05439	0.8
105.03368	0.4
107.04926	0.3
109.02885	0.4
111.00805	0.7
115.86367	0.3
118.04134	0.4
119.04932	33.8
120.05269	0.3
121.02859	1.1
123.04436	0.3
125.46915	0.3
129.03322	0.7
132.02049	1.5
133.02818	0.5
135.04398	0.5
136.05200	0.7
137.02330	2.9
145.02853	1.1
145.06514	0.3
147.04399	27.1
148.04636	0.3
149.02292	1.4
153.01794	3.2
157.03954	2.9
160.01492	0.4
161.06017	0.3
163.03897	0.8
164.04660	1.2
165.01831	1.4
175.03893	48.1
176.04344	0.6
179.07034	2.6
183.02905	0.8
192.04208	0.6
201.05482	1.5
207.06509	100.0
208.06895	1.2
219.06613	0.4
229.05020	3.4
235.05974	0.4
247.05869	0.6
257.04431	1.7
274.04663	0.4
285.03809	1.1
289.10718	0.3
291.08755	0.7
303.04962	63.4
304.05334	1.1
309.09518	0.3
333.09570	0.5
337.78159	0.3
345.05728	0.4
351.10678	1.4
369.11749	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	671.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05507	0.5
57.03423	0.4
59.06101	0.4
65.03941	2.3
66.51445	0.3
67.05495	1.1
68.99776	0.6
69.03413	1.4
69.07064	1.0
69.63516	2.8
74.09698	0.6
77.03918	1.0
79.05495	1.2
81.03406	1.4
81.07063	2.4
83.04973	0.4
83.21658	0.4
85.02885	1.4
85.07658	2.3
85.21180	0.4
89.03921	1.0
91.05479	28.5
93.07021	2.0
95.04945	1.7
95.08588	2.0
97.02888	0.8
97.10169	0.4
98.96939	0.4
99.04436	0.8
102.77278	0.4
103.05454	0.9
105.03422	0.6
105.07018	1.6
107.04941	1.1
107.08578	1.7
108.05717	0.5
109.02875	1.4
109.06493	0.6
109.10132	1.6
111.00789	0.6
111.04429	0.4
111.08071	0.6
117.03402	0.5
119.04940	38.2
119.08581	0.6
121.02885	1.2
121.10198	1.9
123.04376	0.8
123.08032	0.6
123.11713	1.1
127.03914	0.6
131.04898	0.7
131.08571	0.7
132.02086	1.8
133.02812	0.6
133.10141	1.0
135.04387	1.2
135.08058	0.5
135.11720	0.6
136.05177	1.1
137.02347	3.6
137.05951	1.0
137.09563	0.5
139.11206	0.4
141.06909	0.4
145.02866	1.5
145.06491	0.5
145.10109	0.9
146.03578	0.5
147.04407	34.2
147.11687	0.5
147.20277	0.4
148.04750	0.9
149.02318	1.8
149.09566	1.1
151.03978	0.5
153.01819	4.3
157.03970	3.4
159.11760	0.4
160.07579	0.5
161.05957	0.7
163.03870	1.4
164.04704	0.9
165.01843	2.0
167.07025	0.7
167.10609	0.7
173.05959	0.7
175.03902	57.8
176.04327	0.6
177.05478	0.8
179.07069	3.2
183.02892	1.2
191.03427	2.7
191.06964	0.6
201.05489	1.5
207.06522	100.0
208.06877	1.5
219.06348	0.5
229.04962	4.9
247.06003	1.0
257.04395	2.6
275.05646	0.4
285.04025	0.9
303.04974	88.6
304.05350	1.8
319.22577	0.5
333.09558	0.7
337.23776	0.8
345.06039	2.0
369.11850	3.3
438.33228	0.5
671.30927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.2
51.02386	0.3
53.03944	0.5
55.01864	0.2
61.51410	0.2
65.03931	1.8
68.99773	0.2
69.03424	2.2
69.07043	0.2
71.02872	0.4
71.03235	0.2
71.04984	0.2
73.02908	0.2
76.03133	0.3
77.03915	0.8
79.05487	0.2
81.03410	4.2
81.07048	0.4
82.63512	0.2
85.02901	1.1
89.03909	0.7
90.15356	0.2
91.05473	23.7
93.03425	0.3
95.04981	0.4
99.04449	0.4
103.05460	0.6
105.03390	0.7
107.04982	0.3
108.05682	0.3
109.02886	1.4
109.10156	0.2
111.00748	0.3
117.03361	0.2
118.04142	0.4
119.04932	35.8
119.72986	0.2
120.05255	0.3
120.84956	0.1
121.02863	0.6
122.03644	0.3
127.03939	1.0
129.03357	0.6
129.04472	0.2
131.04927	0.6
132.02042	1.8
133.02812	0.5
135.04372	0.6
136.05186	0.6
137.02328	0.9
145.02815	0.8
147.04396	30.7
149.02341	1.4
150.03043	0.3
153.01820	1.3
157.03966	3.1
158.31752	0.2
163.03893	0.3
164.04669	1.1
165.01834	0.7
175.03889	50.9
176.04340	0.5
179.06990	3.0
183.02943	0.2
192.04167	1.0
201.05432	0.5
207.06505	100.0
208.06827	1.2
225.07585	0.4
229.05000	1.5
257.04358	0.9
285.03967	0.3
303.04956	22.1
304.05420	0.4
351.10730	7.5
369.11777	4.3
628.96057	0.2
693.32031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.1
53.03941	6.9
55.01865	12.8
55.05509	34.8
57.03434	15.0
57.07070	3.1
65.03928	6.3
67.05502	71.3
69.03156	1.4
69.03428	17.3
69.07065	20.7
69.86623	7.6
69.87045	2.6
71.01369	1.7
71.04989	7.4
77.03937	2.9
79.05025	1.7
79.05489	58.9
81.03415	59.9
81.07054	60.9
81.07538	3.3
83.04985	18.3
83.08615	25.1
85.02911	20.9
85.06541	4.5
91.05476	70.2
93.07040	53.7
95.01312	2.2
95.04964	48.5
95.07990	2.0
95.08604	36.4
95.09198	3.2
97.02893	9.9
97.06514	10.9
97.10164	10.0
99.04454	4.5
99.08071	3.6
99.22480	1.8
103.05482	4.0
104.39088	1.7
105.04456	1.9
105.07027	48.5
107.04951	18.2
107.08595	27.6
109.02876	5.8
109.06506	10.6
109.10159	13.6
111.04418	10.1
111.08092	6.1
113.06004	5.2
115.05428	7.7
116.06233	2.6
117.07007	25.3
119.04944	2.8
119.08576	41.1
121.02822	1.9
121.06528	9.9
121.10136	16.4
123.04411	3.6
123.08076	8.1
123.11710	5.5
125.02430	2.3
125.05968	2.0
125.09631	5.7
127.03931	2.4
127.07567	1.9
128.06235	11.2
129.00446	1.5
129.06992	35.2
130.07857	2.8
131.04939	5.6
131.08551	33.5
133.06476	9.8
133.10118	21.3
135.08073	8.1
135.11708	7.3
137.06023	2.9
137.09593	3.5
141.06970	16.1
142.07779	9.0
143.08553	24.8
144.05701	1.7
144.09320	2.2
145.06467	9.9
145.10135	26.1
147.04462	3.6
147.08054	7.0
147.11694	18.5
149.06024	2.6
149.09654	7.6
149.13319	2.5
151.07570	2.8
152.06195	1.7
153.07004	7.0
153.12790	2.6
154.07745	5.6
155.08557	27.6
156.09286	2.8
157.06512	7.3
157.10136	29.9
158.07347	2.1
159.08105	10.5
159.11716	16.0
161.09628	5.1
161.13229	4.7
163.07545	2.2
163.11179	5.1
165.07001	8.0
165.12801	5.1
166.07771	7.1
167.08562	17.4
168.09349	5.6
169.06482	5.1
169.10117	20.9
171.08034	11.1
171.11720	17.4
173.05962	2.4
173.09630	5.0
173.11908	2.2
173.13176	8.1
175.07664	2.7
175.11159	10.3
175.14896	2.1
178.07829	4.7
179.08534	12.9
180.09344	5.3
181.06473	4.1
181.10133	20.8
181.11784	2.4
181.12166	2.0
182.07297	2.0
182.10963	1.9
183.08054	11.1
183.11697	18.7
184.07463	2.6
185.09613	10.2
185.13237	10.9
187.07607	4.2
187.11227	5.7
187.14799	2.3
189.09135	1.8
189.11224	2.4
189.12747	3.9
191.08597	3.7
191.10739	5.0
192.09396	3.5
193.10176	11.9
193.12271	19.9
195.08064	9.3
195.11694	16.8
196.08875	4.1
196.12312	1.6
197.09592	12.1
197.13216	12.3
199.07645	3.1
199.11165	9.1
199.14832	6.8
201.12738	2.5
203.08554	1.8
205.10155	6.0
205.12067	1.7
206.10979	3.5
207.08032	3.2
207.11679	12.2
208.08925	1.9
209.09612	11.3
209.13254	11.4
210.10391	3.1
211.11194	9.5
211.13298	14.2
211.14926	3.9
213.09358	1.7
213.12782	5.2
213.16362	2.2
215.10638	2.1
217.12294	1.9
217.15900	1.9
219.11694	7.6
219.13649	1.8
221.09698	3.0
221.13293	9.9
222.10449	2.5
223.11073	10.6
223.14819	4.6
224.11992	3.5
225.12772	6.7
227.10774	4.0
227.12683	3.4
227.14583	2.3
231.11784	2.4
233.09584	2.9
233.13281	5.8
235.11139	4.1
235.14868	5.7
237.12752	9.5
237.16521	2.3
239.14305	4.7
243.14003	2.5
247.14871	2.8
249.12701	2.7
251.14354	5.2
253.12338	1.7
255.13953	1.9
255.17409	3.4
257.15390	2.2
257.19037	2.1
261.16449	3.4
265.16125	2.7
267.15781	12.0
271.20731	1.8
275.20392	2.1
283.20450	1.6
285.16879	8.7
291.19598	6.5
295.20535	3.0
299.20227	2.3
307.17072	2.1
307.20380	4.2
309.22272	2.5
311.20410	2.5
313.21716	3.4
319.20731	1.8
321.22116	7.2
323.23557	2.8
325.21622	2.5
331.20654	4.4
337.21545	5.3
339.23373	5.1
343.22916	2.2
349.21625	20.4
351.22903	8.1
367.22675	35.6
367.26910	3.0
385.23532	7.7
396.52283	1.9
405.24258	1.9
423.25366	6.1
441.26334	10.7
459.27441	4.8
484.69275	1.7
485.31125	2.2
523.32275	3.1
528.37244	5.2
541.33795	6.8
543.36963	4.6
549.35565	2.3
553.35114	4.7
559.34167	4.1
571.36212	5.0
577.35522	5.6
579.36627	3.2
591.36816	3.2
595.36401	3.7
605.38611	2.2
609.37524	2.1
615.37152	4.7
621.37714	4.0
623.39233	4.6
633.37787	19.2
634.38678	2.0
639.38965	9.1
651.38928	92.7
652.39001	2.7
669.39911	100.0
670.40198	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	669.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.4
55.01867	12.1
55.05512	40.1
57.03438	15.2
57.07068	3.6
58.09910	1.7
65.03938	6.1
67.05502	66.0
69.03411	11.5
69.07064	26.3
70.71431	3.0
70.71777	4.8
71.04984	8.9
71.08633	2.1
79.05489	60.5
81.03413	60.8
81.07052	75.4
83.04979	17.0
83.08616	25.4
83.73100	2.0
85.02896	17.4
85.06527	6.5
91.05476	70.9
93.07036	48.3
95.04957	43.1
95.08612	32.6
97.02895	8.8
97.06505	9.9
97.10187	8.4
99.04459	3.0
99.08100	3.6
103.05481	3.4
105.07024	55.5
107.04965	15.8
107.08587	26.6
109.02872	6.9
109.06521	14.8
109.10143	16.5
111.04404	11.6
111.08092	7.1
113.06001	4.9
115.05464	8.1
115.32021	1.8
116.06194	2.3
117.06998	25.8
119.04959	5.4
119.08582	36.6
121.06521	7.2
121.10123	18.9
123.04443	5.8
123.08083	7.4
123.11706	5.4
125.09651	7.3
127.03959	2.7
128.06201	11.2
129.06990	34.2
130.07742	2.8
131.04881	4.9
131.08571	39.3
133.06512	9.1
133.10120	21.8
135.08067	10.2
135.11722	6.5
137.06017	4.0
137.09602	3.6
139.07634	2.2
141.06978	17.5
142.07793	3.6
143.08557	27.9
144.09314	2.1
145.06458	12.3
145.10126	21.7
147.04362	2.3
147.08073	5.7
147.11665	23.8
149.06024	3.6
149.09599	8.3
149.13245	3.1
151.11192	3.3
152.06241	2.1
153.06993	8.8
154.07780	7.9
155.08548	25.1
156.09319	3.1
157.06500	7.4
157.10110	35.3
158.07286	2.4
159.08093	7.9
159.11676	12.5
161.06035	2.9
161.09656	4.2
161.13226	5.2
163.07570	2.5
163.11185	7.8
165.07011	9.6
165.12717	2.4
166.07846	6.0
167.08556	19.1
168.09363	5.3
169.06526	4.8
169.10114	23.5
171.08061	12.5
171.11650	16.6
173.06003	2.7
173.09650	7.3
173.13283	8.2
175.11176	9.9
175.14804	1.9
177.09247	2.6
178.07764	3.3
179.08556	13.3
180.09358	4.5
180.16675	2.3
181.06523	5.7
181.10083	19.2
182.07312	3.0
182.10828	4.2
183.08015	10.1
183.11684	19.0
185.09645	10.6
185.13216	9.4
187.07603	2.6
187.11229	6.1
187.14838	3.3
189.09232	4.0
191.08582	3.6
191.10663	4.0
192.09393	3.0
193.10178	12.0
193.12276	15.9
194.10959	3.4
195.07991	11.3
195.11702	20.3
196.08893	5.7
197.09683	8.9
197.13235	10.8
198.10258	2.1
199.07623	2.4
199.11082	10.9
199.14851	4.8
201.12767	4.6
202.07843	2.5
203.08546	3.3
205.10155	7.6
206.10913	3.5
207.11636	12.1
208.08772	3.4
209.09613	8.5
209.11537	2.5
209.13268	11.6
211.11191	8.6
211.13313	15.6
211.14920	5.1
213.12816	6.6
213.16400	2.1
217.12270	2.7
219.11798	4.1
221.09676	4.1
221.13205	10.6
223.11253	7.6
223.14816	4.6
225.12764	8.3
225.16499	2.8
227.10738	2.7
227.12679	4.7
231.11778	2.7
231.13942	2.7
233.13248	6.2
235.14856	6.1
237.12778	9.1
237.16344	2.4
239.14337	5.1
243.14130	2.3
247.14893	4.1
251.14296	6.6
255.13635	2.5
257.19086	2.5
259.20609	3.3
263.14398	2.5
267.15991	10.0
273.18661	3.0
275.14178	2.2
275.20261	4.1
283.20526	3.7
285.17026	9.0
291.19583	5.3
295.20734	2.6
297.21957	2.4
299.20010	2.6
307.20630	4.3
309.22128	2.1
313.21753	3.6
319.20541	3.3
321.22284	6.6
323.19955	2.8
325.21725	5.4
331.20752	6.2
337.21707	3.4
339.23297	6.4
347.50232	2.0
349.21530	26.4
351.23282	6.2
355.22565	2.1
359.22369	2.1
367.22687	37.1
367.26910	3.4
369.24429	3.4
385.23767	11.1
405.24448	3.7
423.25330	5.0
441.26370	11.8
459.27451	5.9
460.89853	2.3
462.01025	2.0
515.39301	2.4
523.32355	2.7
528.37689	5.2
531.35352	3.7
533.46136	1.9
541.33844	7.9
542.35516	2.1
543.37311	3.5
553.35522	3.0
559.34399	5.4
565.36841	2.3
571.36200	5.7
577.35205	3.2
579.37024	3.0
591.36865	2.3
595.36151	3.5
605.38361	4.6
609.38171	5.1
615.37097	4.8
621.37726	5.6
623.39276	3.3
633.37909	19.0
639.38702	4.9
651.38916	93.3
652.39130	6.4
669.39954	100.0
670.40344	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	668.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.9
57.03425	4.3
57.07075	4.5
60.04554	1.6
61.02914	1.9
67.05501	21.0
69.03429	7.0
69.07053	14.4
71.04980	2.9
73.02941	1.7
79.05491	10.8
81.03416	15.2
81.07050	23.8
83.04963	2.7
83.08627	10.4
85.02901	14.2
85.06543	1.6
91.05482	16.2
93.07036	23.3
95.04956	6.2
95.08604	40.3
97.02903	5.5
97.06516	4.0
97.10192	2.6
97.18066	1.3
99.08092	2.8
99.67025	1.6
105.07021	33.0
107.04935	8.2
107.08589	45.3
109.02913	3.6
109.06517	4.4
109.10150	37.0
109.10854	2.8
111.08088	4.1
117.07014	5.9
119.04957	3.4
119.08576	51.1
121.10139	38.2
123.04422	4.5
123.08071	3.8
123.11693	10.8
125.09631	2.9
127.03918	3.2
129.06952	2.5
131.05000	1.9
131.08569	21.5
133.10117	41.5
135.08058	3.8
135.11682	21.8
137.05957	1.6
137.09610	4.1
143.08563	4.5
145.10115	42.3
147.04399	19.6
147.08020	2.2
147.11674	30.0
149.09578	4.1
149.13271	10.9
151.07465	2.4
151.11163	4.0
157.10121	7.0
159.11676	37.0
161.09619	2.1
161.13237	19.5
163.11159	16.1
163.14813	14.1
165.09131	1.7
169.10075	2.0
171.11732	6.1
172.12473	1.9
173.09587	1.8
173.11821	2.4
173.13246	18.7
175.11234	2.6
175.14803	25.7
177.05458	2.3
177.09186	1.6
177.12733	4.7
177.16383	29.3
179.14333	4.3
180.08656	6.7
183.11722	2.7
185.13292	6.9
187.11136	2.0
187.14804	41.3
189.16371	58.8
191.14331	2.9
191.17937	8.6
193.12221	3.5
193.15933	1.8
195.11597	1.9
197.13260	3.2
199.14835	6.4
201.16367	89.7
203.14412	2.1
203.17926	19.3
205.15866	100.0
207.17438	36.6
213.16356	5.9
215.14299	3.0
215.17944	9.9
217.15981	2.4
217.19496	2.1
219.17430	19.2
221.15492	2.5
223.16862	13.9
229.14255	13.6
229.19424	3.3
231.17450	2.7
233.18987	3.0
241.19525	11.1
247.16914	15.3
255.21315	1.8
267.15894	9.4
267.20874	2.0
287.20105	4.9
303.06503	2.3
389.32010	8.2
407.33063	79.8
409.34610	5.4
421.25757	13.6
425.34122	81.1
427.35788	3.0
432.09698	4.5
435.08615	7.5
435.32474	18.1
443.35114	17.6
453.33597	28.5
471.34546	13.2
477.09268	2.0
489.35742	19.4
497.69186	1.9
555.62671	1.6
571.63239	2.0
668.15320	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	668.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01868	5.5
56.90353	0.5
57.03432	9.5
59.04977	1.0
60.43048	0.5
61.02912	2.1
65.03951	0.7
69.03085	0.7
69.03426	7.2
71.01345	2.6
71.46782	0.5
73.02916	8.7
74.06078	1.9
74.09703	1.7
78.04716	1.0
79.05490	0.9
81.03413	1.4
81.07015	0.8
85.02902	15.8
87.04466	1.5
91.05478	6.7
93.07045	1.2
95.04990	1.3
95.08599	0.8
97.02891	9.5
98.54330	0.5
99.08076	0.8
103.03939	1.3
103.05461	17.2
103.06156	1.0
104.55495	0.5
105.07026	1.3
107.04926	0.8
107.08607	1.0
109.02869	1.2
109.06461	0.6
115.03935	5.0
119.04937	42.2
119.08620	0.9
121.06498	100.0
121.58186	0.6
122.03615	1.5
127.03921	2.5
129.07047	0.7
131.04919	23.4
132.06561	1.2
133.04955	6.3
135.07181	0.5
135.08035	3.5
137.05971	58.3
138.03171	0.8
145.04951	3.3
145.06477	0.9
147.04404	68.3
147.08067	1.7
148.04808	0.5
150.07600	0.9
151.07503	3.5
153.05453	9.0
157.06549	0.8
161.05942	1.3
161.09599	0.7
162.07664	0.5
163.06166	0.8
163.07532	22.9
164.04709	0.9
167.07027	7.5
173.05995	0.9
177.05495	0.9
177.09079	1.0
179.07027	69.8
180.07265	0.6
189.09068	4.3
191.10695	2.1
195.10068	0.6
196.05238	1.9
197.05984	0.8
199.11179	1.4
205.08571	2.3
207.10112	6.3
211.54089	0.5
212.04730	1.1
213.05470	1.7
215.10693	1.5
217.12236	0.9
223.09641	51.5
227.07005	4.8
235.07596	0.5
244.07388	0.7
259.09671	19.6
265.08664	0.7
267.10211	1.1
271.09720	0.5
307.13278	1.2
325.14316	0.8
339.15845	7.1
357.16934	89.6
358.17264	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	668.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90493	0.3
53.03939	0.7
55.01874	5.8
57.03435	10.0
59.04986	0.9
60.04522	0.5
61.02917	2.6
65.03921	0.5
67.05489	0.4
68.99794	0.4
69.03429	7.4
71.01363	2.0
71.04995	0.4
71.46828	0.9
72.04517	0.4
73.02919	8.4
74.06072	1.8
74.09703	1.6
77.03920	0.4
78.04713	0.6
79.05470	1.0
81.03402	1.1
81.07050	1.1
83.05009	0.6
85.02905	14.4
87.04462	1.2
91.03928	0.5
91.05475	5.8
93.07048	1.0
94.04182	0.5
95.04964	1.3
97.02888	7.6
99.04482	0.7
99.08081	0.7
101.58871	0.4
103.03958	1.1
103.05465	14.3
105.07030	1.1
107.04948	1.0
107.08582	0.6
109.02881	1.0
115.03934	5.1
117.06996	0.5
117.38705	0.4
119.04939	40.0
119.08563	0.7
121.06499	92.7
122.03627	1.6
122.06816	0.7
123.04405	0.7
127.03897	2.2
129.06956	0.5
131.04927	23.0
132.05214	0.4
132.06564	1.0
133.04956	6.9
133.06511	0.6
135.04388	0.8
135.08055	4.4
137.05974	52.5
138.03073	0.6
138.06360	0.7
139.03978	0.4
145.03960	0.5
145.04918	2.7
145.06450	1.0
146.63065	0.4
147.04402	61.1
147.08066	1.4
149.05981	0.6
150.07581	1.4
151.07536	3.0
152.04648	0.7
153.04323	0.8
153.05467	8.7
153.06627	0.8
157.06494	0.8
159.08034	0.8
161.06004	0.7
161.09645	1.0
163.06178	0.7
163.07535	20.9
164.04604	0.6
167.07057	7.9
171.08084	0.5
173.06073	0.5
173.09651	0.7
175.07509	1.3
177.05472	1.4
177.09158	0.4
179.07027	71.2
180.07358	0.5
183.08118	0.9
184.92462	0.4
189.09100	5.5
191.06995	0.6
191.10690	2.3
195.10091	0.4
196.05208	1.9
197.05902	0.8
199.11177	1.7
201.09081	0.5
205.08606	1.8
207.10153	7.7
212.04752	0.7
213.05441	1.7
215.10677	1.5
217.12231	0.7
223.09647	59.1
224.10013	0.5
227.07045	4.1
228.07797	0.6
229.05081	0.5
235.07494	0.6
244.07275	1.1
249.11333	0.6
259.09662	20.5
265.08594	0.5
267.10086	0.8
271.09677	0.6
275.10782	0.6
307.13303	1.6
325.14417	1.3
339.15884	8.0
357.16949	100.0
358.17365	1.8
381.16806	1.0
399.18152	0.5
419.35324	0.4
423.18024	0.5
452.71048	0.4
514.94824	0.4
628.32941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01871	4.7
55.05510	19.9
57.03441	10.2
57.07073	51.5
59.05000	1.5
65.03933	2.4
67.05502	39.1
69.03429	19.9
69.07069	15.9
69.62397	5.1
71.04994	7.2
71.08240	1.7
71.08630	31.8
73.02913	1.2
75.07055	0.8
77.78687	0.9
78.40728	0.8
79.05494	22.0
81.03416	100.0
81.07053	48.4
83.04976	17.9
83.08617	23.8
83.09116	1.1
85.02901	14.1
85.06533	2.1
85.10179	18.6
86.09699	0.9
87.04445	1.0
91.05476	27.6
93.07043	16.3
95.04966	19.4
95.08607	36.5
96.86443	0.8
97.02890	26.3
97.06535	4.7
97.07085	0.8
97.10159	9.5
99.04458	7.3
99.08101	2.0
103.03936	1.2
103.05491	1.1
103.82069	1.0
105.04498	1.0
105.07028	19.1
107.04945	5.5
107.08589	7.1
109.02871	22.9
109.06500	4.4
109.10155	18.2
109.10781	0.5
109.10923	0.8
111.04436	11.8
111.08070	7.1
111.11739	1.4
113.06023	1.5
115.05435	1.5
117.06985	4.0
119.04939	1.9
119.08582	17.6
121.06504	2.9
121.10136	7.8
123.04433	2.0
123.08084	1.7
123.11700	7.8
125.06040	1.1
125.09621	1.9
125.13336	1.0
127.03905	16.3
129.05518	1.0
129.06996	9.9
131.04926	1.6
131.08568	9.1
133.06462	3.1
133.10118	8.1
135.08098	1.4
135.11713	3.3
137.06007	1.4
137.09566	0.8
137.13261	1.4
142.07730	2.2
143.08557	1.8
145.06479	1.3
145.10081	5.0
147.04507	1.1
147.08080	3.0
147.11678	17.6
147.20540	1.1
149.06046	1.2
149.09607	4.5
151.11229	0.9
153.12749	2.3
153.35255	0.9
155.08514	1.5
157.06526	1.7
157.10106	10.3
159.08055	1.1
159.11720	1.3
163.11159	5.1
165.12735	7.4
171.08066	1.3
171.11673	1.3
173.04471	3.1
173.05846	0.9
173.09657	2.1
173.13246	1.0
175.11180	12.3
181.12294	4.3
183.06552	1.9
184.07333	4.5
185.07678	1.1
185.09392	0.9
189.11211	1.0
189.12715	1.2
191.10622	5.0
193.10449	1.9
193.12234	33.7
199.07643	0.9
199.11328	1.2
203.14273	1.3
211.13281	52.5
212.16380	0.9
227.12599	5.6
227.14752	1.2
229.14372	3.1
235.13275	1.4
239.23648	8.8
249.14978	2.4
255.13965	1.8
259.13284	1.0
265.14362	1.3
267.15933	15.2
269.40421	0.9
271.12796	1.0
273.14929	2.8
277.14429	1.0
283.15613	1.5
285.17059	3.0
291.16086	1.3
301.14386	3.0
313.27350	33.8
319.15564	1.3
337.16437	5.6
341.26874	1.3
343.80365	1.0
355.17468	10.4
383.27972	3.5
393.19070	2.3
411.20065	13.3
424.61304	1.0
439.30289	1.1
505.38837	6.3
523.40021	15.3
524.32892	1.0
585.42224	1.1
649.42224	2.8
667.44141	86.3
668.44427	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	667.3296
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
50.31074	0.3
53.03936	0.9
55.01871	0.7
55.05513	1.7
55.49066	0.3
56.12195	0.3
56.25417	0.3
57.03439	1.9
57.07079	0.3
57.15051	0.3
59.93821	0.3
61.02925	3.3
65.03927	0.6
67.05504	4.6
67.76827	0.3
69.03425	2.6
69.07069	1.7
69.92058	0.3
70.06590	0.3
71.01358	0.7
71.04978	1.1
71.51859	0.6
73.02917	2.2
79.05489	4.3
81.03415	4.2
81.07045	3.5
83.04980	1.6
83.08623	1.2
83.87764	0.3
84.56585	0.3
85.02907	5.3
85.06537	0.6
87.04466	0.4
91.03956	2.5
91.05473	3.5
93.07034	4.9
95.04961	2.0
95.08602	2.6
97.02889	3.8
97.06535	1.4
97.10155	0.9
98.97588	0.4
99.04456	1.1
101.02375	1.4
105.07024	2.4
107.04947	7.8
107.08585	3.9
109.02888	1.2
109.06516	1.2
109.10172	1.6
110.10572	0.3
111.00260	0.3
111.04435	0.4
111.08083	0.7
115.03938	0.4
115.05465	0.3
117.07018	0.8
119.08578	2.4
121.06516	0.8
121.10138	1.8
123.04457	0.3
123.08047	0.5
123.11710	0.8
125.09616	0.6
127.03894	1.8
129.07005	1.0
131.08554	1.2
133.06465	0.5
133.10130	2.0
135.04448	0.3
135.08066	0.6
135.11685	4.3
137.06013	0.9
137.09624	0.6
143.08545	0.5
145.04912	0.3
145.06474	0.5
145.10141	1.7
147.04454	0.8
147.08156	0.3
147.11687	1.3
149.09633	0.9
151.11154	0.7
157.10124	1.0
159.08063	0.4
161.06010	0.4
161.09654	0.5
161.13303	0.4
163.11195	0.6
165.09019	0.4
171.11667	0.5
173.09641	0.4
175.07574	0.4
175.11261	0.4
176.11745	0.3
177.05504	0.5
177.09131	0.5
179.07187	0.4
181.12236	0.7
185.04205	0.7
187.11205	0.4
187.14799	0.3
189.16327	0.3
193.12219	1.4
211.13254	0.4
221.11476	0.7
243.08340	2.0
251.12495	0.8
255.16003	0.7
277.21414	0.3
285.10062	0.7
285.17181	0.3
342.15067	0.6
357.15625	0.5
357.65768	0.6
414.23172	0.3
439.19412	8.1
440.19431	0.4
469.20416	5.6
475.07748	0.6
485.19330	0.4
505.08716	0.5
505.27939	0.5
612.06647	0.4
649.28516	0.6
667.32928	100.0
668.33124	5.8
691.57239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89517	2.7
53.03936	5.6
55.05500	10.2
56.42903	2.6
57.03434	4.4
61.02924	4.1
65.03925	4.2
67.05496	22.5
69.03410	12.2
69.07063	23.1
69.49887	20.7
71.04967	3.8
79.05482	14.6
79.99691	2.5
81.03389	9.9
81.07052	52.0
83.04962	3.8
83.08612	5.6
85.02907	23.3
85.06541	3.9
91.05463	16.3
93.07049	31.0
95.04947	7.9
95.07994	4.1
95.08601	57.1
97.02866	10.7
97.06547	6.2
97.10146	9.1
101.71604	2.7
103.05465	3.1
105.07027	51.4
107.04925	12.0
107.08588	61.2
109.02845	5.7
109.06481	3.3
109.10159	32.8
111.08075	6.2
111.11711	2.8
117.06998	7.5
119.08578	73.9
121.02848	3.1
121.06456	4.3
121.10144	55.1
123.08059	8.0
123.11708	15.7
125.09582	4.3
127.03925	6.2
128.06190	2.7
129.06947	6.1
131.08583	27.8
133.10117	59.9
135.08023	6.9
135.11694	25.3
137.09601	8.4
139.11159	4.3
141.06911	2.8
142.07742	5.3
143.08565	16.8
145.04938	6.4
145.09056	5.0
145.10109	59.7
147.04445	5.0
147.08031	3.1
147.11691	37.0
149.09601	10.1
149.13257	27.5
151.11145	3.4
153.09091	4.3
155.08568	4.9
156.09338	6.8
157.10110	37.0
158.10799	5.0
159.08037	3.2
159.11687	42.9
161.09634	6.1
161.13258	22.1
162.07593	3.0
163.11180	7.7
163.14790	41.8
169.10110	12.6
170.10887	8.3
171.11647	21.5
173.09653	3.4
173.13260	40.9
175.11153	8.6
175.14819	47.9
177.05426	4.5
177.12758	3.4
177.16370	70.9
179.10713	6.9
180.08653	7.9
181.09998	3.1
181.12209	4.8
182.10834	4.5
183.11670	15.5
185.13258	29.8
187.11224	5.9
187.14818	70.3
189.12741	9.8
189.16382	50.7
191.14270	8.6
191.17921	7.8
193.12152	4.2
193.15871	17.6
195.11713	3.6
197.13232	17.4
199.14842	27.1
201.12770	5.6
201.14613	4.1
201.16379	39.5
203.14314	18.4
203.17978	30.2
205.15929	14.5
207.17532	3.6
209.13252	3.8
211.14867	19.5
213.16356	24.3
215.14362	6.8
215.17966	9.9
217.15855	10.2
219.17409	8.9
221.15399	4.6
223.16917	3.6
227.14328	3.4
227.17937	4.9
229.15892	7.9
229.19550	5.4
231.17476	19.7
233.15385	7.2
235.16951	14.1
239.17902	5.4
241.15872	3.7
241.19400	4.1
247.16940	16.2
249.16270	2.7
249.18510	33.2
251.16261	13.1
259.17010	6.2
267.19531	34.6
319.22366	4.8
347.27203	5.4
387.30368	8.8
393.31458	9.6
395.32925	11.1
403.30054	4.1
405.31482	33.1
421.31006	17.3
423.32571	65.1
424.32675	6.3
433.31100	34.1
439.32196	3.9
441.33633	100.0
442.33969	5.2
443.35397	5.2
451.32065	88.2
452.32147	7.9
469.33170	46.3
470.33331	3.7
487.33966	18.1
504.07990	9.2
505.08789	4.9
667.31500	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	666.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01878	0.8
55.05505	5.4
57.07073	1.0
63.08441	0.7
65.03920	1.0
67.05498	9.1
69.03426	3.3
69.07063	13.8
71.04976	1.6
71.51213	1.3
79.05485	8.5
81.03402	4.6
81.06600	1.1
81.07053	18.7
83.04954	0.9
83.08614	5.7
85.02886	3.5
85.06521	2.3
91.04990	1.0
91.05482	11.1
93.07037	17.1
93.07631	0.9
95.04994	4.1
95.07988	1.5
95.08602	26.0
97.02872	1.3
97.06519	1.0
97.10146	2.9
99.08082	2.1
102.22077	0.6
105.07023	25.3
107.04939	2.0
107.08592	28.6
109.06499	3.0
109.10155	18.6
111.08076	3.6
111.11720	4.9
115.47384	0.6
117.06985	2.6
119.08578	23.2
121.06477	1.0
121.09342	1.3
121.10143	17.3
123.08062	7.8
123.11707	5.4
125.09628	0.8
128.06232	0.6
129.06985	2.1
131.08563	7.5
133.09116	1.4
133.10124	24.1
135.08028	1.8
135.11687	5.5
137.09634	4.4
137.13252	2.2
139.11205	0.9
141.09097	1.9
143.08559	4.0
145.05038	0.7
145.10121	9.5
147.08095	1.2
147.11688	22.1
149.09622	3.5
149.13255	11.7
151.11130	1.2
155.08533	1.0
155.10634	1.4
156.09273	0.8
157.10100	5.6
158.22652	0.7
159.08031	1.0
159.11681	5.0
160.12285	1.0
161.05836	0.8
161.13240	12.6
162.07596	1.0
163.11147	2.7
163.13428	1.4
163.14815	24.0
165.07149	0.7
165.12735	9.3
169.10146	1.7
169.12260	0.7
171.11694	4.1
173.09711	0.9
173.13223	7.3
175.11284	1.5
175.14819	55.3
176.15092	1.2
177.05576	0.8
177.12779	0.7
177.16371	7.5
179.14287	0.8
180.08574	1.1
181.12212	2.1
183.13828	10.2
184.07344	1.0
185.13200	3.7
187.14815	10.8
189.12723	1.2
189.16350	6.2
191.14287	2.5
195.11703	0.8
197.13249	1.2
197.15335	0.8
199.14801	2.5
201.16336	4.7
203.17946	93.0
204.18285	1.9
205.15831	1.2
211.14874	1.3
213.16344	12.8
215.14339	1.5
215.17938	3.2
217.15939	1.1
217.19551	1.1
219.17322	0.8
225.16414	2.0
227.17909	6.2
229.15994	0.8
229.19626	0.8
231.17467	1.1
233.15392	1.2
239.17940	1.9
241.19514	4.1
243.21042	1.3
245.18942	0.9
249.14650	0.9
249.18535	0.9
251.16376	1.6
253.19511	1.3
259.20624	1.0
269.19116	0.8
272.34698	0.7
279.19510	1.4
288.46771	0.9
295.24130	1.5
299.20078	0.9
313.25241	2.0
315.23111	0.9
363.30530	1.8
381.31534	3.0
387.30380	1.3
397.30933	1.1
399.32706	3.3
405.31638	3.9
409.30835	1.9
413.30429	0.9
423.32556	36.5
424.32935	1.1
427.32092	4.4
433.31058	0.8
441.33615	100.0
442.34027	2.6
451.32111	5.8
469.33127	7.9
487.34296	8.5
525.35858	4.1
666.37183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01870	5.1
55.05490	0.7
56.66090	0.3
57.03163	0.4
57.03434	7.1
59.04989	1.0
60.04521	0.5
61.02934	2.8
65.03929	1.2
67.05498	1.5
68.99798	0.4
69.03426	7.3
69.07066	0.9
71.01344	1.6
71.04973	0.7
71.06375	0.6
71.06705	0.7
72.04508	0.7
73.02910	8.0
77.35043	0.4
78.04703	0.7
79.05478	1.8
81.03403	2.5
81.07043	1.9
83.04968	0.6
83.08598	0.5
85.02900	12.2
85.06547	0.6
87.04455	1.1
91.03934	0.5
91.05465	3.9
93.03371	0.6
93.07030	2.1
95.04953	2.2
95.08591	1.5
97.02879	7.0
97.06524	0.5
99.04475	0.7
103.03944	0.9
103.05461	2.0
105.04538	0.5
105.07040	4.7
107.04949	9.1
107.08588	1.4
108.05737	0.4
109.02876	1.1
109.06486	0.7
109.10143	1.3
111.04424	0.7
115.03921	4.5
115.05453	1.8
117.07008	2.3
119.04922	2.9
119.08591	1.4
121.06495	98.3
122.03628	1.3
122.06864	2.0
123.04440	2.9
123.08064	1.4
127.03889	2.1
130.04121	0.4
131.04916	1.6
131.08542	1.0
132.06552	1.0
133.04950	4.4
133.06464	2.7
133.07445	0.6
133.10132	0.7
134.07193	0.4
135.04413	1.4
135.08047	6.4
136.05196	0.8
137.05966	27.7
138.06328	1.7
139.03925	1.3
141.07021	0.6
145.04939	2.6
145.06476	1.5
145.10101	0.7
146.07224	0.7
147.04413	4.4
147.08046	0.8
148.50070	0.4
149.05943	4.1
149.09612	1.1
150.07623	1.0
151.07550	1.6
153.01826	0.5
153.05475	3.1
161.05975	8.3
162.03127	5.2
162.06714	1.2
163.03947	0.5
163.06213	0.5
163.07523	4.5
163.11241	0.4
165.06967	0.4
167.07001	0.8
171.08067	0.5
173.09607	0.6
175.03937	0.9
175.07524	0.8
177.05464	45.4
178.05945	1.2
178.09889	1.2
179.07040	8.1
180.07433	0.6
181.05026	0.8
184.07320	0.8
185.09550	0.5
187.03978	0.4
189.09152	0.5
191.10646	0.6
193.08649	2.0
194.81299	0.5
197.05925	0.5
199.07556	0.5
203.07036	0.5
211.07512	1.0
213.05373	0.5
215.10747	0.4
221.08107	1.7
225.05457	0.7
226.06020	0.4
227.07024	2.5
234.06720	0.4
235.07336	0.5
239.07059	1.5
240.07779	1.1
250.06259	1.1
251.07147	0.5
251.10637	0.5
253.08731	0.7
257.08163	1.5
259.09695	6.4
263.59894	0.4
265.08585	1.8
271.09586	4.1
281.08359	0.7
281.11713	1.1
283.09613	1.0
285.11151	1.0
297.11258	3.0
301.10739	3.8
305.11838	0.7
313.10748	25.7
313.14316	4.8
314.11044	0.6
326.11115	0.5
337.14288	3.2
355.15372	100.0
356.15723	4.3
377.97855	0.4
447.08646	0.5
486.33041	0.6
487.07935	0.9
495.62119	0.4
503.07654	0.4
504.08060	2.6
505.08945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01868	21.1
55.05509	35.5
57.03424	9.1
58.67544	3.2
59.04990	6.4
63.08850	2.9
65.03927	6.6
67.05505	100.0
69.03425	27.1
69.07069	27.4
71.04976	10.3
71.51379	3.0
79.05493	43.7
80.81626	3.4
81.03415	57.2
81.07052	55.2
83.04983	23.9
83.08620	22.5
84.82099	3.4
85.02893	9.5
85.06554	5.4
91.05482	43.8
93.07036	45.9
95.04969	13.3
95.08604	39.8
97.02891	15.1
97.06509	28.1
97.10163	15.0
99.04446	9.2
105.07021	44.1
107.04941	15.5
107.08595	26.8
109.02886	18.0
109.06487	6.2
109.10149	66.1
111.04448	9.5
111.08038	9.2
117.07014	12.9
119.08566	36.3
121.06495	4.3
121.10131	14.2
123.08110	4.7
123.11700	4.4
123.31777	3.2
125.09636	12.3
127.03922	14.2
129.05484	7.1
129.06960	7.6
131.08559	25.4
133.10133	29.1
135.08052	8.3
135.11659	4.8
137.09619	7.6
141.07011	4.5
143.08546	8.0
145.10109	17.5
147.11679	15.7
149.09607	18.5
157.10152	10.1
159.11717	12.8
161.13170	5.9
163.11160	9.0
165.09172	3.3
173.04451	5.1
173.11736	17.8
173.13234	6.8
177.12675	4.2
179.14264	4.3
183.11702	6.6
187.14864	5.2
189.11176	7.0
227.12796	12.8
229.14371	20.6
245.13933	4.8
247.20467	4.1
257.18961	9.1
275.20044	56.5
293.21143	10.5
299.14926	4.0
331.22455	4.3
349.23718	32.5
355.17511	4.5
373.18677	23.4
378.75134	3.3
503.33493	27.8
521.34631	4.0
647.37305	23.6
665.38208	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	665.3911
Annotation	Paradrymonoside
Peak:m/z	Relative Intensity
53.03937	1.6
55.01872	1.4
55.05498	2.9
57.03428	1.3
57.07075	1.3
61.02919	2.4
65.60468	0.9
67.05504	5.2
69.03421	6.8
69.07068	6.5
71.04957	1.9
71.52589	1.2
72.04598	1.0
79.05479	4.9
81.03407	4.8
81.07046	11.2
83.04977	2.1
83.08617	2.0
84.04488	2.2
85.02892	11.6
85.06514	1.8
85.07664	1.0
86.09692	0.9
87.04427	1.2
91.05484	6.5
92.18400	0.9
93.07035	12.2
93.76989	1.0
95.04947	2.2
95.08604	15.2
97.02881	5.3
97.06512	2.2
97.10154	1.5
99.04467	1.3
101.42085	0.9
105.07020	17.7
107.04942	5.1
107.08579	16.2
109.02859	2.9
109.06487	2.6
109.10162	6.8
111.08067	3.1
117.07024	2.7
119.04906	1.7
119.08577	16.8
121.06483	3.4
121.10133	10.9
122.09693	1.4
123.04408	1.4
123.08087	2.1
123.11712	3.8
125.09589	1.3
127.03913	2.7
129.06966	1.2
131.08565	7.8
133.06499	1.7
133.10107	10.0
135.08055	4.3
135.11688	7.0
136.31941	1.0
137.06013	2.2
137.09616	1.8
139.03879	1.6
139.07544	1.3
139.11154	1.2
141.06728	0.9
143.08542	5.8
145.04932	1.0
145.06528	1.0
145.10133	10.1
147.04419	3.6
147.07970	1.8
147.11685	8.6
149.09572	4.6
149.13258	4.8
150.09126	4.7
151.09515	2.2
151.11200	2.0
153.09123	1.7
155.08549	2.4
157.10143	6.4
159.08025	2.3
159.11691	8.6
161.09604	2.9
161.13214	6.8
163.03865	2.5
163.11266	1.4
163.14769	3.6
165.09187	1.0
166.08624	1.5
167.09035	1.7
169.10107	3.1
170.10895	1.5
171.11650	3.7
172.03984	1.4
173.13254	14.5
175.07472	1.1
175.11148	2.8
175.14809	14.0
177.05492	1.7
177.16316	2.1
179.04823	2.1
183.11710	1.4
184.12354	1.1
185.13268	6.0
187.11153	1.7
187.14763	6.9
189.12692	2.3
189.16367	7.6
191.10654	1.0
191.14322	2.9
194.38806	1.0
195.11787	1.5
197.13248	2.7
199.14738	4.8
201.12802	5.2
201.16414	4.4
203.14320	5.1
204.06541	5.6
205.06880	2.8
205.15918	1.3
209.13286	2.4
211.14833	2.7
213.12762	3.4
213.16360	3.0
215.14320	4.7
215.17947	1.0
217.15842	3.9
223.14827	1.2
225.16393	2.9
227.17964	2.6
229.15865	1.4
229.19562	1.1
231.13785	1.9
233.15283	1.3
237.16425	1.9
239.17850	1.2
241.15877	1.6
241.19437	1.1
243.17378	1.4
251.18092	1.6
257.18869	1.6
263.11618	1.2
285.18375	1.2
299.69598	1.0
310.12772	1.5
337.11993	1.9
339.12805	1.1
357.14243	1.7
358.14548	1.0
358.80405	1.0
375.30304	1.1
391.30057	4.9
403.29871	3.0
419.29413	2.1
421.31177	6.0
437.30383	11.5
439.31927	3.8
449.30408	9.7
455.31528	1.6
467.31561	16.7
468.32343	1.0
485.32581	62.1
486.33218	2.3
503.33664	100.0
504.33893	3.4
507.23138	2.8
508.23544	7.4
647.38043	7.0
665.28894	1.6
665.38843	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	665.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01854	1.2
55.05505	4.9
57.03424	2.3
57.07058	1.4
61.02919	2.3
67.05498	5.9
69.03425	6.9
69.07060	6.7
71.04980	1.6
71.51466	1.5
79.05481	5.8
81.03425	5.5
81.07043	13.1
83.04974	2.6
83.08611	2.7
84.04466	1.7
85.02898	13.9
85.06528	1.6
87.04456	1.1
91.05464	7.1
93.07034	13.2
95.04953	4.3
95.08608	16.3
97.02876	4.4
97.06534	1.8
97.10206	1.2
99.04456	1.4
103.05442	1.6
105.07031	18.7
107.04975	5.0
107.08593	15.6
109.02871	3.1
109.06503	2.7
109.10149	7.8
111.08066	1.5
117.07018	3.2
119.04926	1.3
119.07722	1.3
119.08567	18.7
120.08144	1.0
121.06486	3.2
121.10143	12.3
122.09643	1.7
123.04433	2.9
123.08060	3.0
123.11694	4.6
125.09604	2.1
127.03905	3.0
129.06995	2.2
130.05049	1.8
131.04881	1.2
131.08556	11.1
133.06490	2.0
133.10133	13.2
135.04539	1.3
135.08029	4.2
135.11679	6.5
137.05948	4.0
137.09613	2.6
137.13260	1.6
139.11150	1.0
142.07770	2.1
143.08595	5.4
145.04999	1.1
145.06462	1.6
145.10098	11.0
147.04378	1.8
147.07959	3.4
147.11700	8.6
149.09578	3.8
149.13217	4.3
150.09129	5.6
151.03851	1.1
151.09467	2.6
151.11172	2.0
155.08510	2.0
157.10120	5.0
158.10812	1.3
159.08020	2.5
159.09293	1.1
159.11702	8.9
160.07553	1.0
161.05971	1.0
161.09576	4.1
161.13254	6.7
163.03874	2.7
163.07558	1.9
163.11143	2.5
163.14777	4.9
165.09161	1.2
166.08685	2.0
167.07083	1.2
167.08722	1.6
169.10101	2.8
171.08080	1.4
171.11728	4.9
172.03940	2.0
173.09563	2.4
173.13237	14.9
175.07571	1.0
175.11165	2.1
175.14809	16.6
177.05438	1.9
177.09099	1.4
177.12849	1.3
177.16344	2.5
179.04758	1.6
182.10976	1.4
183.11626	2.0
185.13190	5.0
187.11209	1.6
187.14787	8.7
189.12741	1.9
189.16362	9.3
191.14299	2.8
195.11691	1.9
197.13243	4.5
199.11255	1.3
199.14812	6.5
201.12740	4.4
201.16345	3.3
203.14304	4.2
204.06595	6.8
205.06871	3.9
205.15891	1.6
206.07005	1.6
207.06587	1.4
207.11855	1.0
209.13171	1.2
211.14807	3.0
213.12782	3.6
213.16353	3.1
214.18071	1.3
215.14244	4.8
217.12271	1.5
217.15897	3.9
225.16394	3.3
227.17932	2.5
229.12222	1.1
229.15915	2.2
231.13782	2.7
231.17395	1.0
233.15280	2.3
235.16823	1.3
237.16350	1.7
239.17953	1.9
241.19543	1.3
243.17448	2.5
249.14650	1.1
250.10713	1.0
255.17540	1.3
257.18982	1.1
263.11688	1.1
267.21219	1.0
280.11526	1.3
289.17902	2.0
299.13226	1.3
305.24814	1.7
310.12817	1.4
332.71359	1.1
337.11713	1.5
338.12219	3.0
339.12259	1.3
341.21152	1.2
357.14459	1.2
358.14462	1.7
359.15009	2.0
391.30069	2.3
393.31955	1.1
395.25928	1.7
403.29868	4.2
409.27008	1.1
419.29468	3.0
421.31000	6.4
431.28967	1.0
437.30560	9.5
439.32144	4.0
449.30396	13.7
466.45389	1.1
467.31549	18.8
476.20538	1.4
485.32648	63.9
486.33081	1.7
503.07275	1.7
503.33658	100.0
504.08429	1.4
504.33932	3.5
507.23575	4.7
508.23477	9.8
647.37982	6.9
665.39191	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	663.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.5
55.01811	0.6
55.05448	0.7
55.05678	0.4
57.03365	0.8
60.86740	0.4
61.02837	1.1
63.66125	0.3
67.05416	1.9
69.03331	3.6
69.06971	1.9
69.30145	2.2
69.30562	1.0
71.04913	0.7
79.05383	1.8
79.05827	0.6
81.03310	2.2
81.06944	3.6
83.04910	0.9
83.08546	0.5
85.02793	8.2
87.04366	0.5
91.05456	2.2
93.06927	4.6
95.04884	0.9
95.08485	3.7
97.02889	3.0
97.06450	0.8
98.57082	0.3
98.97478	0.5
99.04359	0.8
103.05408	0.5
105.07019	9.5
107.04851	0.9
107.08585	5.1
107.09225	0.8
109.02779	1.1
109.06454	1.0
109.10160	2.5
111.08006	0.8
117.06906	1.1
119.04792	0.4
119.08572	9.3
121.06400	0.7
121.10144	3.0
122.85442	0.4
123.04345	0.9
123.07980	0.9
123.11559	1.1
125.09570	0.6
127.03795	1.3
128.06120	0.6
129.06902	1.2
131.08542	3.1
133.06407	0.7
133.10126	4.7
135.08047	2.0
135.11542	1.5
137.05853	0.8
137.09502	0.9
139.03822	0.5
139.11050	0.5
141.06920	0.5
142.07649	0.9
143.08554	3.6
144.09195	0.4
145.02776	0.7
145.04883	0.6
145.06352	0.9
145.10117	6.3
146.10820	0.3
147.04268	1.3
147.07933	1.3
147.11679	2.9
149.09486	0.9
149.13126	1.2
150.50200	0.4
151.03731	0.4
151.07367	0.4
151.11050	0.6
155.08430	1.3
156.09302	4.3
157.10118	3.7
158.10788	0.4
159.07968	0.8
159.11691	8.4
161.09666	2.0
161.13251	2.1
163.03775	0.9
163.07549	0.4
163.11024	1.1
163.14734	0.6
167.08389	0.6
168.09276	0.5
169.10147	1.7
169.12030	0.4
170.10754	0.6
171.07901	1.5
171.11687	8.3
173.09486	1.1
173.13248	3.9
175.07379	0.4
175.11037	1.3
175.14803	5.9
177.05342	1.5
177.12749	4.6
177.16229	1.1
179.10544	0.8
181.09976	0.5
181.12212	0.4
182.10811	0.5
183.11681	1.8
185.09464	1.4
185.13245	2.9
187.11050	1.1
187.14787	2.8
189.08894	0.5
189.12718	2.2
189.16342	2.9
191.14256	0.8
193.09973	0.6
195.11543	1.0
197.13298	1.7
199.11203	2.7
199.14661	1.6
200.11586	0.4
201.12608	1.5
201.16290	0.7
203.14204	0.8
209.13100	1.2
211.11176	2.2
211.14682	1.2
213.12608	1.5
213.16205	1.0
213.18140	0.4
215.06810	0.4
215.14183	1.9
217.12103	0.7
217.15919	0.9
219.13652	0.8
223.14571	0.7
225.12602	0.9
225.16324	0.8
227.14162	1.0
227.17865	0.6
229.12291	1.8
231.13686	0.8
231.17316	1.4
237.16328	0.5
239.17793	0.5
245.15155	0.4
249.14769	1.9
250.01288	0.5
251.17824	0.5
295.06119	0.4
295.20380	0.5
303.04913	0.8
329.22354	0.4
343.24371	0.6
357.31857	0.4
361.24991	0.5
370.25076	0.4
383.27237	0.4
389.28546	0.6
391.29883	0.4
401.28381	0.9
404.19778	0.4
409.30771	0.6
419.29532	2.2
425.26874	0.8
435.28909	1.6
437.30487	5.1
447.28766	0.7
455.31339	2.7
465.29901	2.8
483.31039	16.5
484.31332	1.1
501.32077	100.0
502.32422	6.6
571.13184	0.4
646.21442	0.4
653.50110	0.3
663.37347	31.3
664.37891	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	663.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05502	1.1
65.03948	1.0
67.05509	2.9
69.03425	2.8
69.07078	1.8
69.37419	0.9
70.59502	1.0
71.51470	1.7
79.05492	3.0
81.03427	2.3
81.07056	3.8
85.02900	1.2
85.07659	4.7
85.32890	1.1
91.05479	3.6
93.07050	5.3
94.06570	1.2
95.04952	2.4
95.08602	4.0
98.20822	0.9
105.07014	3.4
106.06567	2.8
107.04941	1.3
107.07332	3.7
107.08607	3.4
108.08125	14.0
109.10136	3.2
110.09557	0.9
116.04960	2.0
119.04953	1.1
119.08571	2.0
120.08117	9.0
121.02874	1.2
121.10139	2.3
122.08861	1.5
122.09679	12.9
123.04416	2.5
123.11698	1.2
125.09621	1.2
127.03883	1.2
131.08624	1.3
132.08092	2.4
133.10112	1.2
135.06859	1.0
135.11697	1.3
136.07559	3.4
137.05978	1.7
139.11214	1.0
144.04411	5.1
145.04886	1.0
145.09933	1.5
146.05995	3.6
146.09641	2.1
147.04405	3.4
147.11722	1.3
148.07576	2.8
149.13313	1.2
150.09137	71.5
151.03888	1.9
152.07074	3.7
157.10049	1.4
159.11665	1.5
160.03925	1.0
160.07588	2.1
162.05511	1.9
162.09163	3.5
163.03900	1.6
164.07062	2.9
166.08630	30.9
166.09972	1.9
167.06998	1.7
172.03934	30.3
173.13257	1.1
174.05507	1.1
175.14841	2.5
177.05473	1.3
190.05002	3.3
192.10194	2.4
198.11497	3.7
199.12321	1.7
204.06554	91.6
210.11670	1.1
211.12392	1.7
223.12317	2.6
225.10252	2.3
227.11737	1.5
235.08607	1.7
236.09425	2.1
237.10101	4.6
237.13998	1.6
238.10970	2.1
239.11775	3.6
247.16930	1.2
248.09465	1.3
249.10254	8.1
250.10925	4.8
251.11815	5.7
252.12587	1.3
253.09775	1.5
253.13338	2.2
255.11456	1.9
255.15018	1.4
259.13364	4.0
263.11786	24.0
264.08878	2.7
264.12543	4.8
265.09805	2.7
265.13358	9.1
266.10428	2.4
267.11334	5.8
269.12930	1.9
275.11774	1.3
278.10556	2.7
279.11301	21.1
280.11667	1.6
281.12854	7.6
282.10040	1.5
283.10767	1.6
283.14310	1.0
285.12296	2.6
287.13940	4.0
291.11261	14.5
292.11951	4.3
293.12823	11.0
295.10852	3.1
297.12329	13.9
299.13998	5.2
307.10822	2.6
309.12347	27.0
310.12759	2.7
311.13733	5.3
319.10696	11.0
321.12433	1.4
323.10330	1.1
323.16345	1.3
325.11844	7.4
337.11780	36.4
339.13354	13.1
341.14920	4.3
343.12802	1.1
357.14417	33.4
369.14474	11.9
370.67764	1.1
371.15781	2.5
399.15198	1.1
414.18292	1.8
416.15527	1.8
432.19397	2.3
446.21341	2.2
448.22131	6.9
458.17230	2.2
464.22186	1.3
465.29684	1.9
474.14182	1.7
474.20239	15.4
483.31195	2.4
490.19614	1.2
501.31866	3.5
506.22879	100.0
507.23166	4.0
595.25494	7.8
613.26379	3.2
627.27991	2.8
631.27612	4.9
663.30542	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	663.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01867	0.8
63.71217	0.7
65.03948	1.0
67.05484	1.3
69.07062	0.9
69.39675	6.0
79.05492	1.3
81.07030	1.1
91.05466	1.9
93.07034	1.9
94.06560	2.8
95.08601	0.9
105.07006	1.5
106.06562	4.7
106.07162	0.8
107.07334	10.0
108.04429	0.8
108.08112	30.0
110.06049	2.2
116.04965	2.7
120.04451	4.0
120.08096	5.4
121.08903	1.2
121.10116	1.1
122.06020	2.5
122.09662	24.1
127.03928	0.8
134.05989	2.3
134.09666	1.5
135.06786	2.4
136.07558	6.5
138.05495	1.2
140.07083	1.5
144.04443	2.9
146.05992	23.9
146.07115	1.4
146.09621	2.3
147.04402	1.8
148.07556	7.9
149.08154	0.9
150.09131	99.7
151.09460	1.9
152.07062	9.6
158.05997	1.5
160.03908	1.5
160.07526	2.2
162.05513	2.0
164.07053	3.9
166.08629	50.8
172.03915	13.9
172.05276	1.4
174.05521	2.2
176.06998	1.5
182.09570	0.9
184.07474	0.8
190.04984	10.4
192.06604	0.9
192.10179	1.2
197.10768	2.0
198.11516	3.1
199.12279	1.9
200.06853	1.0
201.10196	0.8
204.06551	22.0
209.10806	1.8
210.09216	1.0
210.11473	3.2
211.08687	0.8
211.12273	6.3
212.13025	2.8
213.13872	1.6
218.08107	2.6
220.09856	1.2
221.10709	1.3
222.11417	1.6
223.08638	0.8
223.12294	6.0
224.09431	0.9
224.13019	1.1
225.10210	5.0
225.13866	2.1
226.11041	2.6
227.11772	3.0
229.13281	1.8
235.08583	3.8
235.12344	3.2
236.09308	3.1
236.13130	1.0
237.10194	9.0
237.13857	3.3
238.11000	7.0
239.11755	12.2
240.12321	1.5
241.13400	2.0
241.15779	0.7
246.07599	2.8
247.08331	0.8
247.12242	0.9
248.09303	3.6
249.10217	15.6
250.10957	10.3
251.11787	17.7
252.08961	1.3
252.12521	5.1
253.09785	2.8
253.13316	7.2
255.11290	2.4
255.14944	3.5
256.11987	1.6
257.12811	3.1
261.10077	0.9
262.06955	1.0
262.11008	2.6
263.11768	38.7
264.08887	3.1
264.12494	8.5
265.09747	6.6
265.13345	18.5
266.10486	5.0
266.13776	1.4
267.11331	10.3
269.12906	4.2
271.10736	1.9
271.14337	1.3
276.08817	1.2
276.12408	0.8
277.09674	4.2
277.13132	1.0
278.10544	6.2
279.11285	32.0
280.11951	3.5
281.12817	24.9
282.10150	1.4
282.13257	1.7
283.10724	2.9
283.14404	8.8
284.11533	3.5
285.12268	11.8
287.13898	6.2
291.11261	30.2
292.11978	6.8
293.09470	1.0
293.12799	26.1
294.13055	1.8
295.10803	5.3
295.14157	1.5
296.11615	4.0
297.12311	29.5
298.12857	3.5
299.13885	35.0
300.14398	1.9
303.13339	2.0
305.14911	3.6
307.10840	4.5
309.12317	39.5
310.12796	2.4
311.10480	1.4
311.13861	12.4
313.15515	1.0
319.10745	19.5
321.12265	5.5
323.10458	6.6
323.16495	4.3
325.11810	23.2
325.15341	1.0
326.12256	1.6
327.13449	5.5
337.11792	100.0
338.12033	4.3
339.13483	7.1
341.15106	1.6
343.12878	2.1
357.14462	8.5
358.15012	1.4
369.14511	6.6
371.15942	2.8
372.17264	1.1
383.12488	1.1
386.18723	1.2
388.20245	2.0
398.15134	1.7
399.15573	1.7
401.13351	7.0
406.21173	2.2
414.18088	2.8
416.15555	2.0
422.17087	0.9
430.21182	2.2
432.19263	4.6
433.19739	2.4
434.21249	4.2
446.21286	7.5
447.21170	1.4
448.22305	50.9
449.22607	3.4
458.17206	2.4
460.18393	1.6
462.20166	1.4
464.18253	2.4
474.20212	84.9
475.20703	5.9
476.18253	4.5
482.19083	2.9
492.21295	8.1
494.19061	3.0
506.22864	42.7
507.23624	4.2
514.21661	1.8
526.21582	1.0
571.25488	4.5
587.28693	1.9
595.25494	10.3
603.26929	1.0
613.26459	13.4
631.27625	30.9
632.27960	3.7
663.29602	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	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01863	1.9
55.05516	16.5
57.03437	17.6
57.07067	1.4
59.68378	1.3
61.02916	3.5
65.03938	1.5
67.05507	42.2
69.03421	3.4
69.07061	13.3
70.96281	2.1
70.96619	3.5
71.01338	4.4
71.04977	7.1
72.78704	1.3
79.05489	38.2
81.03416	53.1
81.07054	34.8
81.07528	2.6
83.04979	19.2
83.08623	19.2
85.02910	18.4
85.06548	3.9
91.05479	31.8
92.05784	2.5
93.07046	41.9
93.13472	1.6
95.04964	22.9
95.08598	8.1
97.02872	4.5
97.06517	9.5
97.10165	7.6
99.08064	2.6
102.83883	1.5
105.07025	17.8
107.04983	7.2
107.08599	25.5
109.06493	4.3
109.10149	5.3
111.08064	7.5
113.06003	2.6
117.07048	3.6
119.08580	14.0
121.06453	3.0
121.10149	11.4
123.08060	2.6
125.09629	2.8
129.06992	6.4
131.08597	8.4
133.10085	10.9
135.11702	34.8
137.09624	2.5
141.06979	3.2
142.07741	2.9
145.10063	7.4
147.11713	12.1
149.09650	4.1
157.10165	9.9
163.11174	5.7
165.12743	2.7
175.11169	10.4
181.12262	8.4
184.07397	1.5
193.12245	35.0
197.05991	6.0
211.13292	49.3
212.13623	2.0
212.66641	1.5
255.15900	74.4
267.15936	24.5
285.16962	28.7
303.05048	6.1
304.05139	7.1
405.97821	1.6
447.27429	65.6
448.27969	4.0
465.28479	100.0
466.28812	4.3
554.49445	1.8
584.74182	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	662.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01868	1.6
55.05512	6.4
57.03440	8.5
65.03940	1.2
67.05502	27.1
69.03419	1.9
69.07065	8.3
71.01377	1.4
71.04986	2.3
73.02908	1.4
79.05078	1.9
79.05492	22.5
79.73869	1.1
81.03411	12.8
81.06601	1.5
81.07052	18.8
83.04991	9.9
83.08620	5.6
83.56197	1.1
85.02886	4.3
85.06537	3.7
87.04465	1.3
91.05470	17.5
93.07040	24.6
94.07391	1.4
95.04966	13.7
95.08606	10.4
97.02891	2.5
97.06545	5.1
97.10169	5.7
99.08098	1.3
105.07033	10.3
107.04948	3.7
107.08592	17.4
108.08948	1.2
109.06499	3.7
109.10180	5.9
111.04453	1.4
111.08046	2.4
113.09549	1.1
116.63564	1.1
117.06996	2.6
119.08572	9.0
121.10162	6.0
123.08067	1.5
123.11674	2.1
129.06993	4.0
130.07811	1.1
131.08549	4.5
133.06461	1.7
133.10132	7.9
135.01765	1.0
135.08043	3.2
135.10718	1.5
135.11688	22.8
145.10124	6.5
147.08063	1.7
147.11661	6.4
149.09592	3.5
149.66208	1.1
151.11159	3.8
157.10135	2.9
159.11769	1.0
163.11153	6.1
163.14731	1.3
165.12746	3.5
171.11635	1.2
175.11198	5.3
177.05414	1.1
181.12216	5.0
184.07408	2.6
193.10550	1.3
193.12234	7.8
211.13327	7.9
216.06297	1.1
230.19958	1.7
233.88991	1.1
249.03433	1.2
253.14372	1.5
255.15918	31.8
267.15860	11.8
285.16922	11.1
341.96613	1.1
373.23657	1.3
387.59793	1.1
447.27386	22.9
465.28455	100.0
466.28967	5.3
612.25568	1.7
683.80872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60199	1.3
53.03944	6.4
55.01865	4.1
55.05510	17.5
57.03161	2.0
57.03437	23.2
57.07062	3.7
61.02925	77.9
65.03924	1.7
67.05137	2.6
67.05501	49.3
68.05802	1.6
69.03424	33.5
69.07063	19.5
71.01338	4.2
71.04979	5.8
71.08625	3.0
73.02913	29.4
75.04446	2.4
79.05493	16.4
81.03415	26.1
81.07054	52.9
82.07372	1.6
83.04994	6.3
83.08621	13.9
83.10223	1.2
85.02902	96.8
85.06546	1.4
85.10162	1.2
87.04450	5.7
91.03951	63.6
91.05475	14.1
93.06488	1.8
93.07040	21.0
95.04947	4.4
95.08606	42.2
97.02888	80.5
97.06515	5.3
97.10152	7.0
98.20588	1.5
99.04456	15.1
99.08073	3.5
101.02359	10.0
103.03947	12.0
105.07018	11.7
107.04920	4.2
107.08579	12.7
109.02879	13.7
109.06522	2.7
109.10152	19.9
111.04443	2.2
111.08093	2.1
111.11684	1.7
113.09660	2.7
115.03922	5.9
117.05486	2.5
117.07021	2.4
119.08572	7.6
121.10151	12.5
123.08099	1.8
123.11705	10.2
125.09588	2.5
127.03902	37.0
129.05476	7.5
131.08557	5.9
133.10132	7.5
135.07996	1.8
135.11699	5.6
137.09587	2.4
137.13258	2.4
143.08574	1.8
145.04965	24.9
145.06096	2.4
145.06474	1.1
145.10104	3.5
147.11716	8.2
149.13210	4.4
151.11201	1.8
151.14824	3.1
157.10072	1.8
159.06512	3.7
161.13235	6.3
163.06026	5.8
163.11203	1.8
163.14771	5.6
165.12817	1.9
165.16374	2.6
171.06485	1.6
175.14861	3.2
177.12563	1.4
179.14406	1.8
183.06543	11.0
189.12582	1.4
189.16301	2.1
201.07541	8.1
201.16412	1.4
245.22623	8.7
261.22122	1.9
263.23703	17.7
305.24722	2.8
317.24780	1.6
329.24954	1.6
337.27347	100.0
338.27695	2.9
365.26828	4.9
371.25894	3.8
379.28268	2.2
389.27234	1.6
411.85028	1.4
445.29391	4.1
463.30460	3.5
481.31583	7.6
499.32782	2.9
563.38898	2.5
661.36597	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	661.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.49541	2.0
59.55034	1.7
67.05499	3.8
69.03404	1.9
69.07026	3.8
69.37433	16.9
70.60456	1.7
72.58132	2.0
79.05474	4.2
81.03374	3.7
81.07038	8.4
83.08601	2.3
86.09661	2.0
91.05486	3.4
93.07007	5.7
94.06547	2.4
95.08585	7.1
105.07020	4.2
106.06561	2.9
107.04897	1.9
107.07348	8.9
107.08579	3.2
108.04464	2.8
108.08115	37.2
109.10130	3.8
116.04941	6.3
116.10689	2.9
117.06962	2.2
119.08595	3.4
120.04460	5.2
120.08127	4.9
121.10125	3.9
122.06025	2.6
122.09668	19.9
133.10110	2.6
135.06789	2.1
136.07578	2.4
137.09599	2.5
139.03917	2.1
144.04445	6.8
146.05972	7.5
147.07988	2.3
148.07573	3.0
150.09138	49.9
159.11652	2.6
160.03963	2.1
160.07675	1.9
162.05435	2.5
172.03923	20.6
174.05608	4.4
176.07008	5.0
181.04924	2.0
184.07330	5.2
190.04959	20.8
190.52193	1.9
198.09212	2.3
199.08626	3.1
204.06558	33.9
207.85802	1.9
211.08653	2.0
212.09305	3.5
213.10123	6.2
215.11761	4.4
224.09367	2.5
225.10159	4.6
235.08601	2.8
236.09296	3.0
237.10126	6.3
238.10954	3.7
239.11688	2.6
241.09715	4.9
241.13286	4.7
242.13702	4.5
243.11314	22.3
249.10181	6.4
251.08099	2.2
251.11754	2.1
252.08917	2.0
253.09740	2.4
253.13237	2.0
256.12216	2.2
257.12930	6.3
259.10864	2.0
263.08273	3.0
264.08917	3.3
265.09613	5.6
267.11130	2.9
269.09119	3.9
270.63229	1.7
271.10895	4.5
277.09735	4.2
278.10333	2.6
279.11130	5.3
281.12900	9.1
283.10776	7.7
283.14368	5.6
285.09525	3.4
285.12344	42.4
287.10144	7.6
293.08823	2.9
294.09534	2.9
295.10834	3.6
299.10309	3.2
301.11844	4.3
302.12531	2.9
303.04749	2.5
303.13397	48.2
306.09369	2.1
309.12274	35.8
311.10547	2.6
311.13931	8.3
313.11868	3.3
316.14465	2.6
317.15268	2.6
323.10294	9.1
325.11227	2.2
326.12863	2.9
327.13205	10.3
329.11481	2.8
330.12357	3.8
331.13303	2.4
340.14502	2.4
341.15088	7.2
343.13361	3.1
344.13806	5.2
346.15555	3.4
351.09677	2.5
352.09906	3.0
353.10251	3.2
355.13226	2.4
357.15060	4.3
358.15375	6.4
370.11487	5.7
371.12360	6.0
372.13181	5.6
373.14117	3.0
374.14624	3.3
376.16351	3.3
383.12491	5.8
384.12741	7.9
384.17151	3.0
385.12762	10.8
386.14938	16.2
387.15771	4.5
396.13507	3.6
400.12494	2.8
400.17010	2.5
401.13748	3.0
404.15958	7.5
410.14777	3.1
414.14417	18.2
415.15338	29.4
416.16003	2.9
418.17776	2.3
420.15601	5.0
428.15710	2.4
430.17545	3.9
432.15494	16.7
438.14801	3.2
444.15424	3.4
446.17029	6.5
456.15613	13.3
462.16583	10.3
474.16568	68.2
475.17175	2.1
488.17947	2.0
506.19104	16.6
563.28546	2.3
567.25470	3.3
569.23730	6.7
583.25238	6.4
593.23926	18.0
611.24976	100.0
612.24872	3.0
625.26306	4.3
627.10931	2.1
643.27100	2.6
644.09985	2.5
661.10052	3.1
661.37347	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	661.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03956	1.4
55.01871	0.8
57.03434	0.6
65.03941	4.9
67.05512	3.0
69.03421	2.4
69.07047	0.7
71.51810	0.7
79.05484	3.6
81.03412	2.4
81.07052	2.7
82.04195	1.8
82.69799	0.7
85.02914	4.1
91.05482	3.2
93.03400	1.5
93.07038	1.7
95.04972	2.9
95.08600	1.5
97.02895	1.0
97.06523	2.2
99.04455	0.9
103.05463	1.8
105.07048	3.1
106.04163	0.9
107.04958	6.8
107.08575	1.7
108.02145	0.9
109.02894	0.7
109.06487	1.0
109.10161	1.1
110.03664	2.7
111.04455	2.9
115.05457	2.9
116.06289	0.7
117.07011	2.1
118.04164	0.8
119.04937	1.5
119.08582	1.2
121.02868	0.8
121.06496	2.3
121.10164	1.2
123.04472	3.7
123.08122	0.9
124.05240	0.7
125.06013	4.1
125.09590	0.7
127.03915	0.7
128.06247	0.8
129.07033	1.7
131.04915	2.6
131.08548	0.8
133.06468	2.7
133.10104	1.0
134.03700	0.7
135.04396	1.2
135.08028	0.7
137.02367	1.0
137.05960	1.8
138.03186	1.4
139.03893	1.8
140.04575	0.7
141.06612	1.5
142.02582	2.4
143.04915	1.1
144.05663	0.9
145.06491	4.6
145.10104	1.0
147.04373	1.6
147.08058	1.7
148.05170	1.1
149.05983	2.1
151.03874	1.5
151.07552	0.9
153.05467	3.0
156.05663	0.7
157.06490	1.2
159.04405	0.7
159.07907	1.3
160.05241	0.7
161.06012	4.1
163.03876	2.9
163.07524	0.9
165.05455	1.4
166.02625	1.0
167.07034	20.1
171.06566	4.6
172.05215	2.8
173.05930	3.8
175.03880	0.9
175.07533	2.4
176.04649	0.6
177.05487	4.1
179.07048	1.3
181.04956	100.0
182.05305	2.0
184.07350	2.4
185.05841	0.8
185.83192	0.6
187.07571	1.4
189.05447	2.2
189.09084	0.9
190.06256	1.4
191.07037	3.2
193.04950	0.9
193.08568	1.2
195.06522	2.2
200.04713	0.8
201.05521	1.6
203.07019	1.1
205.08594	2.2
206.05719	0.8
207.06456	3.2
207.08249	0.8
207.10088	1.1
209.08141	3.2
217.08693	1.7
218.05727	2.0
219.06499	2.9
221.07973	3.9
225.07549	0.8
231.06334	1.0
233.08058	10.8
235.07521	1.2
235.09598	4.1
247.07698	1.1
249.05341	1.2
249.07626	2.0
250.06151	0.7
261.07523	2.9
263.06891	1.4
263.09341	0.8
264.07880	0.8
265.08710	0.8
276.07886	0.7
278.05829	0.8
279.08728	4.6
292.07181	0.9
293.08047	0.9
295.06232	0.9
295.09494	1.3
299.09225	0.6
310.08734	0.8
322.08221	0.7
323.09094	0.9
325.10886	1.1
337.10886	1.2
340.09189	0.7
350.07779	0.9
353.10101	2.8
355.11914	0.7
357.13574	1.0
359.14917	1.1
367.11731	0.7
373.13004	1.8
383.11243	2.2
384.11917	1.3
385.12811	4.6
387.14304	1.1
399.14185	0.9
401.12225	6.8
403.13980	2.7
415.13889	42.5
416.14426	6.6
417.15347	2.1
433.15027	3.4
499.14188	3.6
595.21338	2.0
615.10583	0.8
643.23309	2.3
661.11157	0.8
661.21637	1.0
661.32202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01862	1.8
55.05508	7.0
55.66866	0.7
57.03437	9.0
57.07063	1.4
60.53040	0.7
61.02925	1.3
63.82679	0.7
65.03268	0.8
65.03933	1.5
67.05504	32.8
69.07069	13.9
70.30670	0.7
71.04990	2.9
73.02922	1.1
77.53326	0.8
79.05490	20.3
81.03428	2.1
81.07054	47.4
83.04993	4.2
83.08621	9.7
85.02907	1.5
85.06541	2.1
91.05483	10.5
93.07040	35.2
95.04966	3.9
95.08603	11.7
97.02863	0.8
97.06540	7.9
97.10175	0.9
99.08096	1.5
105.07030	6.0
107.04941	1.1
107.08589	18.7
109.06490	1.6
109.10138	2.7
111.08045	4.5
117.07014	6.0
119.08578	2.7
119.69522	0.8
121.10146	11.1
123.11720	1.7
129.06967	0.8
131.08559	5.7
133.10138	7.0
135.08051	1.7
135.11685	6.1
139.11209	0.9
145.10068	1.5
147.11713	1.3
149.09628	1.1
149.13245	20.9
159.11707	8.9
177.12761	4.9
183.91765	0.8
193.11963	0.9
195.13797	7.8
213.14798	1.5
229.71873	1.0
269.17474	59.4
270.17850	1.2
463.30536	100.0
464.30896	3.3
648.83209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.53883	0.5
55.01868	1.6
55.05505	7.8
57.03164	0.7
57.03433	7.9
57.07053	1.0
61.02910	2.0
64.15869	0.5
65.03921	0.9
67.05499	38.3
69.03431	1.3
69.07062	12.5
71.01349	0.6
71.04980	3.3
71.08600	1.0
71.51948	0.5
73.02892	0.9
79.05484	21.3
79.45004	0.5
81.03413	2.5
81.07048	48.0
81.64536	0.5
82.07389	1.3
83.04968	5.0
83.08611	10.7
85.02903	2.2
85.06543	3.5
91.03941	1.0
91.05468	10.4
92.05759	0.7
93.07035	36.9
94.07425	0.6
95.04956	3.9
95.08597	12.8
97.02898	1.1
97.06525	7.6
97.10155	1.6
99.08085	1.8
105.07018	6.2
107.04961	0.8
107.08583	21.7
107.09312	1.1
109.06498	2.4
109.10142	3.0
111.08070	4.3
111.11771	0.5
113.06000	0.5
113.09605	0.8
117.06999	7.1
119.08581	3.2
121.06515	1.5
121.10135	12.7
122.10509	0.6
123.11723	1.7
125.09573	0.7
131.08562	6.9
133.10138	6.4
135.08017	1.5
135.11670	5.7
139.07538	0.7
139.11113	0.8
145.10159	1.0
147.11629	0.9
148.89458	0.5
149.09575	1.1
149.13243	24.1
151.11110	0.8
156.80775	0.5
157.10121	1.2
159.11684	9.4
165.12669	0.6
167.14371	0.7
175.14818	0.6
177.12733	3.7
195.13771	8.2
213.14792	1.3
253.14503	0.8
268.40924	0.6
269.17444	57.6
270.17880	1.1
275.20044	1.2
276.20477	0.8
277.02072	0.5
299.43613	0.5
323.16846	0.5
350.23462	0.5
463.30499	100.0
464.30801	6.3
562.37708	0.7
631.97864	0.7
633.83350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91245	2.2
53.03939	9.5
55.01873	28.7
55.05510	40.7
57.03433	13.6
57.07074	8.2
57.77850	2.5
60.72057	2.7
65.03954	3.6
67.05502	93.8
69.03413	7.3
69.07065	41.0
71.04993	11.4
71.08643	7.5
79.05020	3.4
79.05484	66.0
81.03413	12.5
81.07053	100.0
83.04967	10.7
83.08622	16.3
85.06532	6.6
91.05475	70.5
93.07034	67.9
95.04961	37.9
95.08603	48.8
97.06523	25.7
97.10156	8.7
99.08096	8.8
105.07023	60.2
107.04954	24.0
107.08591	47.5
109.06500	24.1
109.10147	29.7
111.04453	5.6
111.08077	7.8
113.06022	6.8
115.05480	3.4
117.07005	25.0
119.08572	39.4
120.01613	2.5
121.06501	10.0
121.10137	30.1
123.08066	12.2
123.11711	6.3
125.09619	9.3
128.06174	4.0
129.07033	12.7
131.08566	37.2
133.06499	6.1
133.10120	28.8
135.08041	22.2
135.11685	13.2
137.09657	5.0
143.08562	15.4
145.06534	4.8
145.10115	21.6
147.08025	7.7
147.11688	20.9
149.09627	15.4
149.13260	8.1
151.11151	7.0
153.09117	4.5
155.08569	6.8
157.10085	12.7
159.08005	5.0
159.11736	15.2
161.09654	9.1
161.13269	10.7
163.11192	9.1
167.08540	3.3
169.10097	5.0
171.11707	7.9
173.11885	3.6
173.13266	9.7
175.11206	5.5
175.14761	3.3
176.29929	3.2
177.12769	5.7
179.14333	12.8
183.11679	6.1
185.13254	6.6
187.11201	5.0
189.12735	3.8
195.13852	5.9
205.16037	3.3
217.15891	2.8
227.12740	3.2
229.14462	4.5
229.19879	2.9
233.15343	5.1
245.19012	4.8
257.18976	5.9
259.20535	3.2
273.18454	13.7
275.20059	40.1
276.20721	3.2
277.21643	9.3
279.15860	5.8
291.19498	28.7
293.21130	13.6
333.24152	3.5
335.25839	6.3
347.22195	3.6
349.23798	16.8
351.25238	9.5
365.23196	7.8
367.25024	5.2
381.22687	6.1
532.85736	3.1
561.37592	7.5
623.42468	8.4
641.44238	26.8
659.44324	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	659.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01881	6.6
55.05269	1.9
55.05512	22.0
57.03442	8.2
57.07079	3.6
61.45639	1.2
65.03949	2.5
67.05506	46.5
69.03421	3.7
69.07063	16.7
71.04986	4.8
71.08633	27.6
71.40821	2.7
79.05020	1.5
79.05492	49.5
81.03419	28.1
81.07054	57.1
83.04983	11.0
83.08615	18.5
85.02908	9.5
85.06561	3.4
91.05481	52.9
93.07047	53.5
95.04974	22.9
95.08607	33.0
97.06535	11.3
97.10173	4.8
97.68740	1.6
98.18452	1.4
98.88468	1.4
98.98469	5.3
99.08093	20.2
103.05514	1.8
105.04559	1.8
105.07038	38.9
107.04953	14.0
107.08600	26.4
109.06522	9.4
109.10161	12.6
111.04433	1.4
111.08082	5.8
112.94079	1.3
113.05974	2.0
113.09646	2.1
115.05420	1.7
117.07019	7.6
119.08584	25.8
121.06535	3.5
121.10146	22.3
123.08067	5.2
123.11691	3.1
123.94360	1.4
125.09619	2.8
127.07487	1.7
129.07057	7.8
131.08548	14.2
132.08928	1.4
133.06491	3.2
133.10136	17.5
135.08023	3.3
135.11688	23.2
137.09625	3.7
139.11223	1.5
141.06978	1.9
141.09161	2.7
142.07849	1.3
143.08484	3.5
145.10124	9.6
147.08037	2.1
147.11668	14.8
149.09613	6.1
149.13255	7.2
151.11182	16.2
155.01038	2.5
155.08583	2.7
157.10130	8.9
159.11710	5.8
161.13278	9.8
163.11160	10.4
163.14874	1.7
165.12755	3.1
171.10294	1.4
171.11716	4.3
173.13295	3.1
175.11183	4.4
175.14848	1.9
177.12820	2.9
179.14304	65.6
184.07347	2.9
185.13190	1.4
189.11163	1.8
189.12718	3.4
193.12236	14.7
195.13811	2.1
199.14847	2.3
211.13303	12.2
227.12964	1.5
231.17461	1.6
235.16902	3.1
241.19556	2.1
257.19022	2.1
259.20596	5.7
267.15961	10.2
269.17419	1.7
275.20093	7.6
276.20419	2.4
277.21628	54.1
285.16971	6.9
291.19540	2.1
295.19623	1.6
295.22772	3.9
349.23795	4.2
351.25323	18.3
367.24640	1.8
431.21869	3.1
461.28595	2.0
462.29306	1.9
543.36810	24.1
561.37848	100.0
562.38458	2.6
623.42883	1.6
641.43756	3.3
659.36139	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
53.88364	1.2
55.01864	7.4
55.05508	20.9
57.03422	6.0
57.07078	3.5
65.03925	2.6
67.05502	51.3
69.03419	4.9
69.07069	15.8
70.14088	5.8
71.04983	5.6
71.08624	26.6
77.03957	1.4
79.05489	50.3
80.32429	1.1
81.02929	2.0
81.03413	32.5
81.07052	59.2
81.07537	2.8
83.04963	13.6
83.08617	18.5
85.02887	12.4
85.06544	3.8
91.05481	45.6
92.05795	1.7
93.07040	50.0
95.04958	21.2
95.08598	34.4
96.05294	1.6
97.02892	1.9
97.06515	12.7
97.10163	6.1
98.98476	6.9
99.08094	18.9
103.05470	1.3
105.07030	36.0
107.04957	10.9
107.08591	31.4
108.08893	1.7
109.06514	7.9
109.10171	10.4
111.04443	1.9
111.08082	6.8
113.06036	2.7
113.09644	2.8
113.94209	1.3
117.07034	9.2
119.08578	25.4
120.08929	1.8
121.06505	3.0
121.10137	20.2
123.08065	4.8
123.11673	2.3
128.06253	1.6
129.06979	10.6
131.08556	13.2
133.06467	3.8
133.10123	20.0
135.08043	3.9
135.11682	24.2
137.09592	4.3
141.09096	1.7
142.07799	3.3
143.08563	3.7
145.10135	8.5
147.08057	3.0
147.11693	14.8
149.02377	2.5
149.09651	6.2
149.13303	6.8
151.09953	1.9
151.11148	13.5
155.01054	3.5
155.08624	1.7
157.10083	10.1
159.11702	5.7
161.09602	2.1
161.13246	14.1
161.85066	1.4
163.11186	9.7
165.12735	4.1
171.11673	4.1
173.13292	2.7
175.11151	6.4
175.14775	2.5
177.12723	4.6
179.14302	59.5
181.12282	1.5
185.13234	4.0
187.14891	1.4
189.12808	2.2
193.12224	17.2
195.13734	2.1
197.13322	1.4
199.14705	2.3
208.58992	1.5
211.13297	15.5
221.15410	3.0
223.13374	1.3
235.16829	3.0
241.19490	2.4
256.26099	1.8
257.26736	1.6
259.20572	6.1
267.15912	16.7
269.17651	2.0
270.17703	1.5
275.19977	7.6
277.21609	57.7
285.17004	5.6
291.19540	3.1
295.22635	4.3
323.23569	1.3
347.12421	4.5
349.23669	4.5
351.25299	13.5
431.21835	2.1
461.29141	1.5
462.29166	5.8
528.53485	1.7
543.36810	31.9
561.37848	100.0
562.37842	4.6
602.51453	1.5
623.42981	2.4
641.43384	2.5
659.36456	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	659.2346
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.01869	3.2
55.05513	6.5
57.03432	2.2
64.54463	0.7
67.05508	12.3
69.03431	1.7
69.07068	6.0
71.04981	1.1
71.08622	1.1
71.51717	1.2
79.05500	9.1
81.03422	1.3
81.07059	14.4
83.04977	1.3
83.08627	3.4
91.05473	8.7
91.06820	0.7
93.07046	11.8
95.04980	3.2
95.08626	6.8
97.06530	2.8
97.07095	0.7
97.10208	1.5
102.78158	0.7
105.07046	8.7
107.04971	1.5
107.08603	6.5
109.06507	1.5
109.10149	4.5
110.18607	0.8
111.08092	0.9
117.07034	3.4
119.08567	6.6
121.06539	1.3
121.10124	3.8
123.08109	1.3
123.11706	1.6
125.09650	1.6
129.06993	2.2
131.08586	5.2
133.06432	0.9
133.10144	4.9
135.11711	3.2
139.11168	0.7
143.08575	2.6
145.10127	4.1
147.11711	3.5
149.09682	1.7
149.13303	1.8
155.08598	1.5
157.10173	2.4
159.11734	3.4
161.09619	0.9
161.13280	1.5
163.11157	1.3
169.10097	1.1
171.11713	1.8
173.13344	1.5
177.12775	1.1
179.14200	0.9
183.11780	1.2
185.13332	1.3
189.11258	0.9
190.74821	0.8
201.16513	0.8
213.01462	0.8
227.12808	1.2
257.19098	2.0
261.10660	0.8
273.18637	1.2
275.20053	6.6
277.21509	0.9
291.19647	1.5
293.21173	2.4
329.28619	0.7
333.24478	1.0
349.23883	3.9
367.24753	1.0
385.13168	2.0
386.13797	1.2
398.13873	0.9
399.14575	2.9
400.15323	7.1
401.15662	1.8
407.11432	0.8
408.12024	1.1
410.14438	1.3
412.15372	1.2
413.16116	2.3
414.16953	4.7
421.13062	2.4
422.13779	5.8
423.14371	4.9
424.15659	2.5
425.16785	1.0
426.17133	1.1
427.17917	1.2
427.32797	0.9
428.18433	1.6
429.19211	3.3
435.14569	4.7
436.15430	7.3
437.16217	12.1
438.16895	3.4
439.18002	1.2
441.15784	2.7
442.15927	1.3
448.14404	0.9
449.16052	1.0
450.17407	4.4
451.18518	5.9
452.19153	4.3
453.15765	1.0
455.17151	3.4
456.17831	1.2
463.13861	1.7
464.14212	3.9
465.15610	4.6
465.19781	3.1
466.15948	1.1
466.20822	0.9
467.17361	3.1
469.15012	2.8
470.16171	2.2
477.15521	1.1
478.16534	2.8
479.17120	3.4
480.18155	5.9
481.14188	1.1
481.19748	1.5
482.15674	2.8
483.16586	3.9
483.34869	1.5
484.16821	3.5
487.34241	1.5
493.19055	13.7
494.15894	3.2
494.20084	2.3
495.16434	5.1
496.17291	2.3
497.18243	1.0
498.15189	3.6
501.35583	1.1
506.16061	0.9
507.16635	3.4
508.17398	8.2
509.18613	6.2
510.15509	1.6
511.15878	0.9
511.20227	2.2
512.16559	10.3
516.24005	1.6
521.18250	12.8
522.16132	3.8
522.18842	4.1
524.16815	1.6
525.21680	2.4
526.15015	2.8
539.19171	3.3
540.19299	3.9
543.22369	2.8
543.36536	2.4
549.17987	1.3
553.20813	20.7
554.21027	1.1
561.37720	2.3
566.18066	1.1
571.21936	4.2
572.22375	4.5
581.20319	50.5
582.20685	4.0
599.21234	26.3
600.21423	6.4
605.42377	1.0
609.20282	1.4
613.22961	27.5
614.23340	2.1
622.23236	6.2
623.42798	1.3
627.20966	1.5
631.24109	4.8
641.22443	100.0
641.44299	3.0
642.22839	7.8
659.23438	32.2
659.46393	1.1
660.23737	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	658.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01847	0.5
55.05499	0.9
56.62762	0.3
57.03420	0.6
57.07071	6.5
58.06606	2.1
61.02916	1.6
61.26127	0.4
62.03238	0.4
63.40148	0.4
65.03939	1.0
65.98934	0.4
67.05496	1.9
68.05006	0.5
69.03413	1.3
69.07059	1.1
69.40289	3.6
70.06590	20.0
71.08630	3.4
72.08169	0.7
79.05487	1.7
80.05832	0.4
81.03417	1.3
81.07056	2.6
83.04969	0.7
83.08606	1.0
84.08144	0.5
85.02894	1.2
88.07625	21.6
91.03944	0.7
91.05479	1.1
93.07045	1.8
95.04958	0.8
95.08602	2.0
97.02886	1.2
102.09176	17.5
105.03424	0.6
105.07012	1.2
107.04938	0.6
107.08583	0.9
109.10175	0.5
112.61678	0.4
117.06980	0.6
119.08614	0.9
121.10142	0.7
125.09660	0.5
131.08539	0.7
133.10091	0.5
145.10123	0.8
147.04375	0.8
147.11708	0.5
149.02330	41.5
150.02690	0.5
151.85793	0.4
163.11145	0.7
175.03899	1.6
177.05479	1.0
184.07324	0.8
193.04955	47.7
194.05304	1.2
219.06544	1.4
225.05421	0.7
237.07559	13.3
256.26340	52.6
257.26718	1.7
269.04495	1.7
275.20328	0.5
297.03851	2.2
300.28970	0.7
313.07016	2.7
327.72586	0.5
335.25693	1.0
341.06552	10.4
341.10828	0.5
359.07535	7.6
362.69525	0.6
385.09149	20.0
386.09262	0.6
429.11786	29.9
430.12402	1.1
451.75281	0.5
560.36932	0.7
569.91748	0.4
640.34521	1.3
658.35773	100.0
659.36139	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	659.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01860	1.7
55.05500	1.0
65.03937	6.8
67.05508	2.3
69.03432	2.8
69.07061	0.9
69.20301	3.5
69.20718	1.0
71.04988	0.6
73.34395	0.4
77.03920	0.5
79.05495	3.7
81.03408	1.7
81.07049	2.5
82.04198	2.3
83.04964	1.2
85.02896	3.8
85.06519	0.6
91.05480	4.4
93.03391	1.2
93.07023	2.3
95.01321	0.5
95.04955	2.7
95.08596	1.6
97.02870	0.7
97.06532	2.6
98.21541	0.8
99.04437	0.7
103.05445	1.5
105.04472	0.5
105.07027	2.9
107.04951	5.7
107.08586	2.8
108.02086	1.6
109.02854	1.4
109.06490	1.5
109.10159	0.9
110.03658	2.7
111.04426	2.8
111.08088	0.7
115.05434	3.2
117.07002	2.6
118.04122	0.4
119.04914	1.5
119.08584	2.1
121.02783	0.4
121.06482	1.7
121.10112	1.4
123.00752	0.6
123.04433	2.4
123.08056	0.6
124.05226	1.0
125.05988	2.5
127.03913	1.1
128.06216	0.7
129.06976	1.6
130.04179	0.4
131.04895	2.9
131.08531	0.5
132.05731	1.0
133.02835	1.3
133.06473	4.2
133.10136	1.3
135.04411	0.7
135.08076	1.2
136.04980	0.4
136.07542	0.4
137.05977	2.9
137.09517	0.8
138.03113	2.4
139.03885	1.4
139.07535	1.0
140.04681	0.5
140.66554	0.4
142.02615	2.9
143.04898	1.3
143.08369	0.5
144.05707	0.6
145.06474	4.0
145.10164	0.5
146.07182	0.5
147.04404	1.5
147.08104	2.9
147.11678	1.5
148.05185	0.7
149.05994	0.7
149.09584	0.9
149.13239	0.8
151.03860	0.7
151.07553	1.0
151.11130	0.6
153.01811	0.6
153.05434	4.1
155.05962	0.8
155.07076	0.9
157.06441	0.8
159.04373	1.0
159.11731	0.5
160.05197	1.1
161.06003	5.1
161.09605	0.6
163.03871	0.8
163.07538	0.9
165.05432	1.5
165.06897	0.8
165.12735	0.9
166.02577	0.7
166.06328	0.4
167.07033	11.5
170.02077	0.5
171.06525	5.3
171.11671	0.7
171.36415	0.5
172.05194	2.2
173.05969	3.1
174.06763	0.9
175.03879	1.3
175.07503	4.5
175.11165	1.0
176.04675	1.2
177.05501	2.2
179.07008	1.0
179.67825	0.4
180.07834	1.1
181.04945	100.0
182.05280	1.3
183.06520	0.5
187.07545	0.9
189.05447	2.2
189.09067	0.9
190.06258	1.2
191.07057	3.0
191.08597	0.6
191.14319	2.4
193.04887	1.1
193.08620	2.0
193.12276	0.6
195.06419	0.9
195.08051	0.8
197.08099	0.7
199.11130	0.6
200.04735	1.2
201.05492	1.2
203.06987	2.1
205.06682	0.8
205.08566	3.6
206.05620	1.0
206.07368	0.5
207.06406	3.6
207.08192	1.0
207.09941	2.3
208.07309	1.3
209.08080	1.7
209.15289	0.9
211.13312	0.5
215.07152	0.5
217.08588	3.8
217.12233	1.2
218.05707	1.9
219.06349	4.3
219.08141	1.0
220.07101	0.6
221.05991	1.0
221.08037	6.5
222.06694	0.7
223.07452	0.8
225.07513	2.9
226.08449	0.5
229.04741	0.6
231.06355	1.0
233.06078	0.7
233.08072	12.0
233.10429	0.6
234.06934	0.9
235.07567	1.0
235.09631	10.4
235.13354	1.7
236.08226	0.7
247.07585	1.4
248.08284	0.6
249.05339	1.1
249.07384	3.9
250.06277	1.5
251.07034	1.3
253.14471	2.1
261.05084	0.6
261.07559	7.5
262.06180	0.7
263.06989	1.7
264.07849	0.9
265.05051	0.6
265.08588	1.4
266.05811	0.8
267.06491	1.0
271.06119	0.6
271.09714	0.8
275.06952	0.6
277.05139	0.4
277.08719	1.3
278.05908	0.6
279.08667	9.6
280.07175	0.9
281.08099	1.0
282.08847	0.5
286.08240	0.6
291.06314	0.6
292.07355	0.9
293.08017	2.1
294.08755	0.7
295.06021	1.4
295.09543	1.1
297.07828	0.5
297.11111	0.6
299.09286	0.6
305.08020	0.9
306.08905	0.7
307.05936	1.2
307.09384	0.9
308.06662	0.8
309.07632	1.4
309.11340	0.8
310.08301	1.2
311.09177	1.0
313.10803	0.6
321.07495	1.5
322.08395	1.2
323.09183	1.7
325.10693	1.5
327.08887	0.5
331.11905	0.8
335.09283	0.6
337.10718	1.3
338.07739	1.0
338.11484	0.7
339.08597	1.1
341.10214	0.8
343.11816	1.4
345.09491	1.0
351.08478	1.0
353.10172	6.0
355.11761	1.4
357.13367	0.7
358.10358	0.6
359.11191	1.6
365.10330	1.6
366.11063	0.7
367.11777	0.5
369.09460	0.9
369.13525	0.8
370.10486	0.9
373.12973	1.3
383.11230	2.3
384.12198	0.8
385.12811	8.9
387.14545	0.6
397.12881	3.4
397.17560	0.7
399.13910	0.6
401.12354	4.1
403.13873	4.9
415.13870	34.7
416.14258	1.7
417.15247	1.4
433.14926	3.2
459.16428	0.7
579.18469	0.9
627.24762	0.6
641.21924	3.0
659.35089	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	657.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
52.74312	1.5
53.03944	10.4
55.01874	18.3
55.05238	1.9
55.05509	32.3
57.03440	26.1
57.07062	6.7
60.55824	1.8
65.03935	7.7
67.05505	100.0
67.29092	1.8
69.03422	4.4
69.07066	29.2
70.07948	8.8
71.04981	7.9
71.08623	2.4
74.01126	1.7
79.05493	68.8
81.03417	14.7
81.07053	82.1
83.04980	22.0
83.08628	15.2
85.02895	2.0
85.06532	9.7
91.04909	4.2
91.05479	78.5
93.07040	69.8
95.01321	3.1
95.04967	49.3
95.08606	58.1
97.02870	2.3
97.06527	14.6
97.10167	9.9
98.21453	2.4
99.08082	3.9
103.05470	5.5
105.03365	2.0
105.07029	66.0
107.04961	36.5
107.08591	45.2
109.06522	28.9
109.10163	22.0
111.04472	4.2
111.08098	7.4
112.05233	3.5
113.06003	13.4
115.05441	6.3
116.06239	2.8
117.07014	38.1
119.04950	3.5
119.08582	48.1
121.06499	13.5
121.10143	21.0
122.07258	3.2
123.04465	2.7
123.08057	15.0
123.11681	3.7
125.06007	2.3
125.09608	7.8
128.06226	7.9
129.05486	2.0
129.07002	20.8
130.07797	5.0
131.04916	3.2
131.08562	47.9
133.06439	9.7
133.10124	32.9
135.08060	17.5
135.11699	18.7
137.09628	5.9
139.07567	2.2
139.55334	1.8
141.06992	7.3
142.07713	3.2
143.08556	29.1
145.06474	8.0
145.10130	32.8
147.08054	16.3
147.11665	18.3
147.47258	1.8
148.08719	2.8
149.09581	11.2
149.13286	10.6
151.11177	5.4
153.06958	1.9
153.12758	1.8
154.07719	2.3
155.08560	9.9
157.06512	3.1
157.10118	18.4
159.08098	9.7
159.11707	25.7
161.09660	13.8
161.13277	12.2
163.11150	8.6
165.07018	2.9
165.09125	4.2
165.12778	2.2
167.08600	5.1
168.09338	2.1
169.10114	15.3
171.08014	3.5
171.11684	17.1
173.09627	5.3
173.13226	14.2
175.11172	8.0
175.14862	5.2
177.12756	9.5
179.08627	3.2
179.10724	2.1
179.14319	3.9
181.10165	7.9
183.11693	10.9
185.09596	2.0
185.13293	14.5
187.11176	12.1
187.14864	7.1
189.12804	4.3
189.16405	2.1
192.05630	2.1
193.10213	2.1
195.11743	6.6
195.13814	4.7
197.09520	3.7
197.13281	9.3
199.14812	7.0
201.12737	3.2
201.16359	3.1
203.14369	2.7
205.12257	3.2
205.15829	4.1
207.09511	1.8
207.11679	4.1
209.13307	3.1
211.11174	2.1
211.14822	6.0
213.16304	3.7
215.14461	2.4
217.15898	4.8
221.13365	3.4
223.11093	1.8
223.14972	4.8
225.16322	2.9
227.12831	3.2
229.19374	2.1
231.17407	2.4
233.15378	6.7
235.14784	2.7
237.16425	2.7
239.18069	3.1
241.14264	4.1
241.19548	5.5
245.18857	3.0
255.17401	4.9
257.19040	5.8
259.20682	8.4
265.25351	2.2
269.19235	2.2
271.10962	2.0
273.18500	23.0
275.20142	20.5
276.58945	1.8
277.21664	3.9
279.15933	15.4
291.19534	45.9
293.21136	2.4
297.16989	2.8
313.21893	2.2
315.23206	3.7
327.23358	2.6
333.24420	10.9
347.22263	6.2
349.23773	12.5
353.24591	2.2
359.25854	2.2
365.23242	5.9
381.22836	9.6
473.34253	2.7
491.35239	2.4
513.35803	2.6
527.36664	3.2
559.36389	2.9
565.38617	4.6
581.38434	4.2
583.39972	4.3
593.38495	2.2
605.41962	4.5
611.39337	3.6
621.41339	4.8
623.43024	9.0
639.42505	34.3
640.42853	3.8
657.43640	51.4
658.43927	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	657.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01867	18.5
55.05509	41.0
57.03203	1.8
57.03437	25.8
57.07060	6.1
59.70579	1.8
62.85364	1.6
65.03931	5.8
67.05502	100.0
69.03414	9.1
69.07063	33.6
69.31903	17.3
71.05006	9.4
71.08612	2.5
79.05492	86.6
81.03416	18.4
81.07053	90.8
83.04972	18.8
83.08617	16.0
85.06533	8.9
91.05477	87.9
93.07037	68.5
94.07336	1.7
95.01320	4.6
95.04375	3.1
95.04962	48.3
95.08604	54.4
96.08979	1.8
97.02888	4.6
97.06528	19.1
97.10149	7.7
99.04402	2.0
99.08072	3.1
103.05463	3.7
105.04527	2.6
105.06309	3.5
105.07023	71.8
107.04955	41.0
107.07889	3.1
107.08588	47.0
109.06508	30.9
109.07189	3.3
109.10155	23.7
111.04413	5.2
111.08086	9.1
112.05212	2.7
113.05999	15.5
115.05429	6.4
116.02293	1.5
117.06250	2.7
117.07013	37.1
119.04902	3.7
119.08572	51.3
121.06493	14.1
121.10138	21.3
123.04444	3.0
123.08060	14.2
123.11661	5.5
125.09622	10.2
128.06200	7.6
129.05487	3.4
129.07002	24.2
130.07780	2.5
131.08559	49.2
133.06470	12.0
133.10123	37.1
135.08067	17.7
135.11700	18.6
137.09605	6.2
139.11116	2.0
141.06966	9.8
142.07771	4.7
143.08551	25.7
145.06487	10.7
145.10109	34.5
147.08037	13.2
147.11661	22.5
149.09610	16.6
149.13254	9.2
151.07501	1.8
151.11171	3.8
155.08502	11.1
156.09300	2.0
157.06415	2.7
157.10135	13.4
159.08031	7.0
159.11693	25.5
161.09608	15.5
161.13210	11.1
163.11224	12.1
163.14842	2.6
165.09032	3.5
167.08548	6.6
168.09293	2.1
169.10123	11.8
171.07996	3.2
171.11684	17.7
173.09598	4.0
173.11908	2.5
173.13258	12.2
175.11224	8.5
175.14783	5.3
177.12685	11.4
179.08478	3.2
179.14290	3.6
181.10092	6.1
183.11688	9.6
185.09573	3.9
185.13239	13.5
187.11147	6.4
187.14742	8.6
189.12675	3.3
191.14400	2.1
193.10110	3.1
195.11658	5.7
195.13864	2.8
197.09485	3.1
197.13277	5.9
199.11183	4.6
199.14758	6.0
201.12724	4.2
201.16428	3.4
203.14314	1.8
205.12234	3.2
205.15921	2.0
207.11795	2.4
209.09709	1.8
209.13246	3.6
211.14766	2.0
213.12819	1.9
213.16364	3.9
214.45554	2.1
215.14316	4.0
215.17857	2.1
217.15831	5.9
217.19456	2.0
221.13232	3.0
221.15280	1.9
223.13089	3.3
223.15007	2.5
225.12579	2.2
225.16414	2.0
227.12720	6.3
233.15392	5.0
237.16417	2.7
239.17963	3.3
241.14311	5.2
241.19540	3.9
245.19081	3.2
255.17490	3.9
257.19003	7.1
259.20645	8.0
271.17377	1.8
273.15955	1.9
273.18527	21.7
275.20053	30.3
277.21655	3.2
278.77109	1.9
279.15927	13.6
291.19525	50.3
293.21161	3.1
302.46567	1.9
315.23120	3.4
331.22623	2.4
333.24341	11.2
343.26215	2.5
347.22089	7.6
349.23718	11.6
365.23386	6.2
381.22815	9.4
435.32394	2.2
513.36298	2.3
527.37512	2.4
529.36377	2.7
545.37854	4.6
559.36609	5.7
565.38629	5.8
581.38104	3.8
583.39435	6.7
593.38416	4.2
605.41797	2.6
611.39191	5.6
614.00751	1.8
621.41064	5.4
623.42853	11.7
639.42480	36.4
640.42883	3.7
657.43756	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.0
55.01858	6.0
55.05510	23.9
57.03432	16.5
59.60955	1.4
61.02908	3.3
65.03928	3.0
67.05502	37.0
69.03086	2.2
69.03424	18.8
69.07066	11.6
71.04984	6.3
71.50964	2.8
73.02893	4.1
79.05492	33.1
81.03414	100.0
81.07050	44.9
82.03762	2.4
83.04974	37.5
83.08615	24.7
84.05306	1.6
85.02899	34.0
85.06537	3.9
91.05476	50.2
93.07042	26.7
95.04961	33.0
95.08604	19.0
97.02881	18.7
97.06522	9.5
97.10159	7.9
99.04443	5.2
99.08065	3.2
101.21300	1.5
105.07029	32.9
107.04936	12.2
107.08585	15.6
109.02866	12.4
109.06535	10.9
109.10134	6.7
111.04425	15.8
111.08070	11.7
115.05437	2.9
115.41993	1.5
117.07047	3.8
119.04903	2.2
119.08572	29.0
121.06507	5.0
121.10146	15.3
123.04453	3.5
123.08043	7.0
123.11691	6.9
125.05989	2.2
125.09597	5.3
126.36702	1.4
127.03907	12.5
127.07544	2.7
128.06190	2.2
129.05502	11.6
129.06969	14.3
131.04924	3.1
131.08560	19.2
133.06488	5.0
133.10133	15.8
135.08051	4.0
135.11693	3.9
137.05966	4.4
137.09525	3.8
137.13165	2.3
139.39679	1.6
142.07780	3.6
143.08557	2.6
145.06477	3.0
145.10100	5.9
147.08047	5.6
147.11684	22.4
148.12021	1.5
149.05977	3.9
149.09589	7.7
149.13243	1.7
151.07507	5.5
153.05502	1.8
153.12767	3.3
155.08577	1.9
157.10121	17.9
158.10478	1.8
159.11728	2.0
163.03818	2.1
163.11169	6.4
165.05542	1.7
165.09041	1.8
165.12727	8.7
167.07127	2.1
169.10168	1.6
171.11714	2.2
173.13437	1.5
175.03900	2.9
175.07507	1.7
175.11174	16.7
177.05528	1.7
181.12234	3.5
187.07501	1.8
189.11136	2.6
191.10648	5.0
193.12231	61.4
194.12714	2.3
199.14841	1.7
207.06555	3.6
211.13280	93.1
212.13666	3.4
217.12157	2.7
227.12762	7.0
229.14352	3.0
235.13396	2.9
249.14871	3.2
267.15887	28.6
268.16339	4.0
273.14816	2.5
283.15430	3.5
285.16959	34.0
303.34039	1.8
317.06525	4.0
319.15479	2.4
337.16415	2.9
355.17468	5.1
367.22211	2.6
385.23621	2.6
393.18863	3.0
403.24670	1.7
411.19894	4.2
429.21213	9.4
459.27426	13.7
460.27509	4.5
477.28433	14.7
478.28644	3.9
495.29465	30.2
496.29465	2.5
499.33105	2.2
511.12552	7.9
621.31635	3.7
622.32648	2.8
639.33838	14.8
657.34674	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	655.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16563	2.2
53.03940	11.1
55.01869	5.7
55.05511	23.5
57.03428	12.1
57.07054	2.6
58.65876	2.1
65.03931	3.6
67.05503	71.8
69.03436	22.8
69.07079	16.1
70.06589	2.1
70.18058	1.9
71.01366	2.6
71.04995	54.5
71.52011	3.6
79.05491	41.3
81.03418	100.0
81.06596	4.7
81.07054	87.4
82.07383	2.6
83.04984	26.5
83.08618	22.5
85.02902	25.5
85.06542	10.5
91.05476	59.7
93.07043	43.2
95.04962	28.8
95.08615	22.3
97.02902	16.7
97.06516	11.1
97.10159	9.6
99.04440	6.7
99.08066	2.9
105.07029	36.9
107.04958	17.9
107.08604	30.1
109.02896	17.5
109.06521	6.7
109.10152	20.0
111.04443	13.4
111.08108	12.0
114.59163	2.1
117.07027	6.2
119.04941	3.0
119.08590	27.1
121.06523	6.5
121.10144	17.5
123.04406	3.7
123.08054	5.2
123.11695	13.4
125.09604	5.4
127.03886	11.3
128.06216	2.2
129.06993	12.0
131.04903	3.1
131.08560	21.9
133.06505	4.4
133.10139	30.7
135.08047	4.8
135.11693	8.5
137.06018	5.1
137.09604	3.4
142.07748	4.3
143.08588	2.7
145.06511	2.8
145.10130	7.9
147.04428	3.7
147.08098	4.1
147.11694	22.0
149.09637	9.9
149.13298	8.4
151.07614	2.6
151.11197	13.4
155.08635	2.8
155.35271	2.5
157.10120	13.1
159.07947	2.6
159.11681	12.3
161.06035	4.6
161.09613	4.2
161.13222	3.2
163.03877	2.9
163.11194	7.1
165.09094	6.4
165.12807	5.6
171.11696	3.7
173.04445	12.8
173.09541	2.3
175.11205	11.3
177.05449	3.4
177.12738	7.2
183.13753	5.3
187.13351	14.8
187.14735	2.7
189.11086	2.3
189.12639	3.7
191.10670	3.7
193.12260	36.6
195.13837	6.1
199.14803	3.2
201.14818	5.6
211.13278	58.4
213.14677	3.2
227.12714	4.7
257.17355	2.6
267.15970	9.5
269.08096	4.4
269.17474	5.0
285.17065	6.4
299.18497	5.1
301.14255	3.1
316.07013	3.5
339.18213	5.3
377.19736	2.7
393.19199	3.2
395.20581	7.3
413.21588	2.9
427.23871	2.9
435.27347	12.7
453.28415	11.7
461.28757	11.5
467.30222	10.6
477.27847	2.7
479.29990	9.7
492.12338	2.9
493.12106	9.3
494.12347	3.0
511.32458	7.6
605.32684	3.3
623.34198	11.9
637.34888	3.3
655.36810	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03944	8.9
54.20804	1.2
55.01862	14.9
55.05511	28.5
57.03434	16.9
57.07062	7.7
59.04992	2.5
63.83301	1.5
64.73717	1.3
65.03937	6.1
67.05503	51.7
69.03426	32.7
69.07069	12.6
70.73121	4.2
71.01357	3.5
71.04980	7.9
73.02902	5.2
73.05678	1.6
79.05492	45.3
81.03415	100.0
81.07051	40.3
82.04197	2.1
83.04977	24.5
83.08612	23.0
85.02906	27.4
85.06538	2.6
87.04469	1.8
91.05479	43.8
92.74817	1.3
93.07040	30.1
93.07631	1.5
93.66623	1.3
95.04958	34.8
95.08611	15.5
97.02348	1.4
97.02892	31.3
97.03520	1.9
97.06533	10.3
97.10159	13.8
98.07321	2.1
99.04469	7.1
99.08091	2.1
101.02357	1.8
105.07027	29.6
107.04948	15.9
107.08599	17.9
109.02864	14.3
109.06510	6.0
109.10155	20.2
111.04435	14.8
111.08072	9.7
113.05980	3.2
115.03942	4.3
115.05447	3.2
117.07029	8.8
119.04932	3.8
119.08570	25.6
121.06490	5.8
121.10129	17.8
123.04401	6.0
123.08068	4.6
123.11708	3.1
124.76202	1.4
125.05991	2.8
125.09615	11.0
127.03924	11.2
127.11195	3.6
128.06258	1.8
129.05492	5.2
129.06972	12.1
131.03423	2.1
131.04889	1.3
131.08568	16.0
133.06491	3.9
133.10094	10.9
135.04469	4.3
135.08055	4.8
135.11697	5.7
137.05954	2.7
137.09598	3.9
139.03970	1.9
142.07785	3.0
143.03394	2.3
143.79158	1.3
145.06522	2.5
145.10135	8.4
147.04416	8.2
147.08057	3.7
147.11691	16.2
149.05946	1.9
149.09642	8.5
149.13206	2.1
151.07491	2.3
153.05508	3.3
153.12772	3.9
155.08583	2.6
157.10152	12.3
159.11696	2.2
161.09621	1.5
163.11169	8.6
165.12735	3.9
169.10199	1.9
171.06491	2.6
171.11734	1.4
173.04543	6.9
173.09589	1.6
173.11761	2.6
175.11208	15.7
177.12892	1.6
181.12242	4.1
187.11205	1.8
189.11246	3.9
191.10657	5.5
193.12228	40.2
199.06026	2.9
201.14915	1.8
205.12271	1.7
209.11699	6.3
211.13292	41.1
212.13573	1.7
223.13358	1.5
227.12785	9.7
229.12343	1.6
229.14252	7.4
235.13231	1.6
249.14885	1.6
265.14493	1.5
267.15955	12.4
283.15549	6.6
285.16925	6.8
289.14395	1.8
301.16544	2.5
305.10663	1.4
325.16046	1.7
353.15900	1.9
355.17398	4.0
363.17975	1.8
421.25781	7.7
439.26782	7.5
475.26910	3.6
493.27942	5.0
637.31879	5.1
649.87799	1.9
655.33038	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	655.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05492	1.1
57.03428	0.6
65.03926	1.2
67.05506	2.0
68.02327	0.3
68.99764	0.5
69.03415	1.4
69.07055	1.4
70.29166	0.8
71.04993	0.5
73.02900	0.5
75.87291	0.4
76.03125	0.5
77.03921	0.4
79.05493	1.7
81.03426	2.8
81.07041	3.5
83.04961	0.6
83.08611	0.7
85.02884	1.6
85.06503	0.8
89.03900	0.3
91.05478	20.9
93.07034	1.8
95.04984	1.8
95.08591	2.1
97.02888	1.5
97.06522	0.8
97.10163	0.7
99.04408	0.4
103.05434	0.6
105.03355	0.8
105.07024	1.7
107.04932	0.9
107.08590	1.9
109.02892	2.0
109.06542	0.6
109.10168	1.8
111.00821	0.6
111.04438	0.7
119.04937	32.0
119.08569	1.0
120.05272	0.6
121.02847	2.8
121.06499	0.7
121.10119	2.1
123.04442	0.7
123.08066	0.5
123.11678	1.0
125.09615	0.7
127.03918	1.0
129.03352	0.4
131.04941	0.8
131.08499	0.9
132.02028	1.1
133.02840	0.9
133.10139	0.7
135.04350	0.8
135.11635	1.1
137.02327	1.3
137.05962	0.6
139.11142	0.4
143.08476	0.4
145.02840	1.2
145.10120	0.7
147.04402	26.6
147.11705	1.0
148.30333	0.3
149.02356	0.9
149.09637	0.9
151.11192	0.5
153.01820	3.1
157.03999	2.2
157.10075	0.3
159.08034	0.4
159.11691	0.8
163.03912	0.7
163.11136	0.5
163.14890	0.5
164.04712	0.6
165.01834	1.5
165.12669	0.4
173.02492	0.3
173.04498	0.6
175.03899	48.5
176.04288	0.8
177.05463	0.8
179.07021	2.5
183.02856	0.9
189.05537	0.5
192.04066	0.6
197.06129	0.4
207.06517	100.0
208.06831	1.8
209.11711	0.7
209.49651	0.4
211.13284	0.8
213.05420	0.9
219.06544	0.5
235.06068	0.6
241.04877	0.6
255.06659	0.4
258.05228	0.9
287.05484	79.0
288.05801	1.6
291.08578	0.6
303.05090	0.8
303.23135	0.4
309.09567	0.5
317.06509	1.3
321.24081	0.5
329.06592	0.6
339.12247	0.9
351.10739	1.3
351.18005	0.4
369.11777	9.6
369.19266	0.4
459.17557	0.4
465.28305	0.7
475.26965	0.4
484.27057	0.4
598.78363	0.4
655.32727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.3
52.86970	1.5
53.03949	7.9
55.01862	12.3
55.05513	28.3
57.03439	17.7
57.07071	8.1
59.04998	1.7
65.03925	5.1
67.05504	49.7
69.03429	31.6
69.03784	3.2
69.07066	16.7
69.60197	2.9
69.60604	8.2
70.16676	1.4
71.01344	3.5
71.04986	11.5
73.02927	4.5
74.25900	1.5
79.05492	44.5
80.05838	1.6
81.03416	100.0
81.06590	3.2
81.07054	47.5
83.04974	25.4
83.08617	22.3
85.02900	26.5
85.03387	2.4
85.06535	6.1
88.36007	1.4
91.05479	46.1
93.07042	35.1
95.04964	35.9
95.08611	20.6
97.02892	30.2
97.06526	13.9
97.10170	12.6
98.20860	3.2
99.04462	7.2
99.08094	2.8
103.05497	2.3
105.07030	28.1
107.04962	17.6
107.08582	21.2
109.02866	16.3
109.06499	7.4
109.10164	21.0
111.04422	13.3
111.08084	12.5
113.05989	1.9
115.03941	7.1
115.05457	3.0
117.06981	8.4
119.04957	3.5
119.08572	26.4
121.06512	8.8
121.10120	19.8
123.04449	7.7
123.08018	7.4
123.11694	4.8
125.05969	2.0
125.09636	10.6
127.03921	15.2
127.07534	1.7
127.11183	4.1
128.06227	2.9
129.05466	3.5
129.07001	11.1
131.04939	3.2
131.08574	15.0
133.06506	5.1
133.10124	16.9
135.04425	4.8
135.08057	5.4
135.11690	8.3
137.05957	8.1
137.08226	4.1
137.09599	4.0
137.13268	3.4
139.11185	3.2
141.06961	1.6
142.07764	3.0
143.03429	3.4
143.08574	3.0
145.02853	2.7
145.06488	3.4
145.10115	8.4
147.04410	3.7
147.08028	6.1
147.11700	19.9
149.05997	3.6
149.09665	8.1
151.03827	2.7
153.05499	3.4
153.09082	2.4
153.12762	6.1
154.19327	1.4
155.08505	2.2
157.10132	12.3
159.08008	2.1
159.11653	3.7
161.05978	2.3
161.09641	3.9
161.13345	2.0
163.02736	1.6
163.03937	5.4
163.11183	11.1
165.05516	1.8
165.09129	4.2
165.12775	3.3
167.07179	1.9
169.10135	3.0
171.11671	3.0
173.04501	6.3
173.05893	2.4
173.09628	4.0
173.11714	2.9
175.03787	2.3
175.07684	2.3
175.11191	12.7
175.14755	2.0
177.05466	8.1
181.12245	6.6
185.13268	2.3
187.11208	3.2
189.11250	2.6
189.12851	2.1
191.03441	3.2
191.10660	5.5
193.12245	41.5
199.13252	2.3
201.12613	1.6
205.12064	1.4
207.06549	2.5
209.11688	9.5
211.13283	40.8
211.15311	2.4
221.11826	1.4
223.13219	2.2
227.12723	11.6
229.14302	8.3
233.08098	5.8
235.13347	3.2
247.13387	2.1
249.14813	2.4
261.14920	3.0
267.15955	12.8
271.06036	10.0
271.13263	1.7
283.15366	8.7
285.16956	6.5
289.14380	2.7
295.15894	1.6
301.16519	2.3
303.76370	1.8
353.16043	2.1
355.17673	2.6
367.11682	4.9
372.76910	1.6
409.12759	6.6
409.17773	1.8
410.12912	1.8
411.20340	2.5
421.25653	5.4
427.10831	1.8
431.27371	2.0
439.27075	7.6
471.10693	12.3
475.26941	5.5
476.27615	2.0
483.21835	1.7
493.09479	2.3
493.27786	6.3
503.13397	2.7
511.28793	3.7
515.13367	3.0
586.93042	1.6
619.30975	1.9
637.16565	5.6
637.31989	6.0
655.18097	3.4
655.33148	20.5
656.32819	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	653.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01867	9.9
55.05513	32.3
57.03435	18.0
57.07057	3.4
65.03935	5.5
66.97006	2.0
67.05504	72.6
69.03427	21.5
69.07063	20.2
70.18512	4.7
70.18904	4.1
71.04983	9.4
71.82626	1.9
73.02901	2.1
73.06548	2.7
77.03901	1.9
79.05492	86.3
81.02932	4.9
81.03415	100.0
81.07053	71.4
83.04974	37.9
83.08622	25.3
83.72479	2.0
85.02901	25.0
85.06540	9.7
85.98423	2.3
86.09143	2.1
87.04443	2.6
91.05472	91.5
93.07041	84.4
93.07642	3.1
95.04967	43.7
95.08606	41.6
97.02904	17.6
97.06515	10.0
97.10168	11.8
99.04456	7.3
99.08112	2.4
104.42047	2.0
105.07030	62.1
107.04951	22.2
107.08591	33.7
109.02893	12.1
109.06516	10.3
109.10149	14.7
111.04441	10.5
111.08070	9.1
113.05982	3.7
115.05460	4.4
117.06996	16.7
119.04899	3.4
119.08576	41.2
121.06496	9.7
121.10118	20.1
123.04456	5.1
123.08051	8.6
123.11682	6.1
125.05965	3.5
125.09696	4.2
126.72733	2.0
127.03923	11.0
127.07558	3.6
128.06206	8.8
129.05470	6.0
129.06993	26.9
131.04903	3.6
131.08571	24.1
133.06490	7.0
133.10127	20.4
134.97900	2.3
135.08040	4.8
135.11682	7.9
137.05957	3.1
137.09598	4.0
141.07056	3.0
142.07767	5.7
143.08548	14.5
145.04997	2.3
145.06459	6.2
145.10135	19.7
147.04449	3.2
147.08041	6.9
147.11690	46.3
149.06003	4.4
149.09595	9.5
149.13269	3.8
151.11125	2.6
155.08557	3.1
157.06364	2.4
157.10126	15.8
159.08012	6.0
159.11748	2.7
161.06020	3.5
161.09605	7.1
161.13257	10.7
163.07515	3.3
163.11169	8.9
165.09122	4.4
169.10213	4.0
171.08038	3.7
171.11696	30.9
173.04457	3.6
173.09608	4.8
173.13200	3.1
175.03860	2.3
175.11194	12.5
175.14748	2.4
177.05417	3.6
179.14287	2.0
181.12195	2.1
183.07967	2.8
185.09558	3.7
187.11040	2.2
189.12735	12.7
191.10721	2.7
193.12225	39.3
203.14171	3.2
207.11879	4.3
207.13754	32.6
211.13274	45.7
213.16478	2.6
223.14914	2.2
225.14842	3.2
227.12729	4.7
229.14278	2.8
241.15849	2.4
257.97391	2.1
259.16931	3.4
267.15927	29.7
269.15396	4.2
281.17462	77.8
285.16998	17.3
287.16406	8.1
306.93277	2.7
315.08728	3.4
315.13211	3.3
333.14493	6.2
355.17599	4.8
429.21481	13.9
473.28925	55.9
491.30051	31.3
571.32544	3.5
635.34296	29.2
653.33832	8.9
654.29822	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	653.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
55.01883	9.4
55.05511	29.8
57.03436	18.2
61.02923	2.7
64.36209	1.9
65.03932	4.7
67.05502	55.4
67.89314	1.5
69.03429	23.5
69.07075	15.1
71.01344	2.5
71.04987	7.3
79.02000	1.7
79.05491	74.8
81.03415	100.0
81.07053	55.4
83.01349	1.9
83.04976	31.5
83.08619	24.4
85.02905	28.4
85.06562	3.3
91.05476	64.6
93.07043	63.2
93.07648	3.1
93.46021	1.7
94.07401	1.9
95.04967	38.6
95.08601	29.8
97.02898	22.5
97.06523	7.9
97.10169	8.5
98.05135	1.7
98.27930	1.6
99.04439	6.3
99.08096	2.7
103.05463	3.0
105.04470	3.2
105.07029	48.7
107.04953	20.8
107.08596	19.6
109.02854	11.6
109.06503	9.8
109.10158	13.9
111.04425	11.6
111.08076	10.8
115.05445	3.5
117.07030	11.9
119.08577	38.5
121.06501	7.2
121.10136	12.6
123.04380	2.5
123.08072	6.9
123.11730	3.6
125.09638	4.3
127.03906	11.7
128.06219	3.6
129.05553	3.6
129.06990	22.7
130.07813	2.7
131.04938	2.8
131.08553	15.7
133.06516	5.8
133.10115	20.4
135.08080	3.7
135.11674	7.1
137.05997	3.3
141.06953	2.6
143.08534	8.4
145.06447	5.0
145.10118	12.8
147.04378	2.9
147.08057	7.3
147.11676	34.5
149.09624	6.0
149.13280	2.6
151.11145	2.4
153.12755	4.3
157.10152	14.7
159.11650	3.0
161.09610	3.5
161.13246	8.5
163.11195	8.3
165.09048	2.0
169.10052	2.9
171.11668	17.1
173.04407	3.2
173.09584	2.2
175.11176	10.1
181.12148	3.8
189.12761	9.3
191.10683	4.1
193.12228	38.9
203.14285	2.4
207.13829	18.9
211.13293	39.1
217.12177	2.0
227.12756	6.8
229.14247	2.6
231.62711	1.8
249.14742	2.3
263.16455	3.1
266.39517	1.9
267.15900	26.5
281.17462	41.9
283.15500	1.8
285.16940	12.9
287.16418	4.7
309.17041	2.3
315.06583	12.0
316.06891	5.7
355.17450	3.0
411.20288	2.7
428.10181	3.7
429.21167	13.1
445.10620	3.1
455.09296	3.5
456.09753	7.3
472.09259	5.4
473.10040	20.2
473.28964	64.7
474.10431	3.8
490.09991	4.9
491.10947	29.0
491.30075	14.5
492.11139	3.4
635.34393	34.9
653.13617	4.6
653.33710	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	653.3527
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03941	10.1
55.01869	5.8
55.05513	31.3
57.03440	14.2
65.03943	2.5
67.05508	55.8
67.07832	1.9
69.03436	18.2
69.07062	12.2
69.68331	13.7
71.04977	8.0
73.06573	2.9
79.05497	75.5
81.03418	100.0
81.07055	54.0
83.04507	2.1
83.04984	31.5
83.08623	20.5
85.02895	18.4
85.06538	3.0
91.05482	68.3
93.07045	61.3
95.04964	35.7
95.08601	22.6
95.15962	2.4
97.02886	16.8
97.06519	4.6
97.10149	7.9
98.21434	2.7
99.04418	3.2
99.08105	4.6
105.07031	49.2
107.04958	15.8
107.08603	21.3
109.02862	11.5
109.06525	11.4
109.10135	5.7
111.04466	12.1
111.08069	11.5
113.06040	2.5
115.05444	4.4
117.07009	12.7
119.04916	2.9
119.08581	35.4
121.06519	4.7
121.10137	13.0
123.08086	7.3
125.09696	2.5
127.03905	7.0
129.05464	5.6
129.07005	22.8
131.08577	15.2
132.72896	2.0
133.06482	3.8
133.10115	14.9
135.08044	2.9
135.11693	5.5
137.09621	2.3
141.89127	2.2
142.07823	4.3
143.08569	10.1
145.06522	2.6
145.10138	10.6
147.08078	3.5
147.11690	45.4
149.09639	5.6
157.10132	13.0
161.09604	4.3
161.13258	10.2
163.11249	4.2
171.07906	2.0
171.11691	22.8
175.11157	13.9
181.12183	3.4
189.12750	10.4
191.10583	3.1
193.12251	40.5
207.13834	29.6
211.13290	46.8
217.78845	2.2
225.14923	3.7
227.12717	4.7
267.15930	37.6
269.15250	2.5
273.14871	2.4
281.17487	62.8
285.16885	12.9
287.16486	2.6
355.17474	6.8
429.21130	20.4
473.22409	4.6
473.28976	84.3
474.28723	3.3
491.30023	25.9
509.08133	2.3
548.37482	2.5
571.32971	2.6
635.34253	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77274	1.0
53.57888	1.1
57.07071	1.2
57.61170	1.0
67.05515	1.5
71.51841	1.1
81.07054	2.6
119.97183	1.1
170.96661	1.1
223.06485	1.2
267.17029	1.1
281.15079	1.3
321.77029	1.3
388.18408	1.3
389.17410	1.7
390.18689	1.8
391.19403	1.4
403.19354	3.4
404.20010	3.5
405.20648	11.7
417.20728	4.0
418.21686	3.3
419.22308	9.7
420.23053	3.3
433.23831	6.9
434.24765	2.1
447.21243	5.3
449.19736	6.3
450.20337	2.1
459.22049	1.6
463.21259	7.1
464.21948	3.4
465.22928	1.6
473.19458	1.6
477.23001	4.7
478.23575	3.6
479.24405	25.4
479.31076	1.9
487.21378	3.4
488.22311	1.3
491.19879	1.3
491.24573	1.7
492.25043	2.4
493.26431	1.3
501.23022	3.7
502.23541	2.6
507.27563	13.8
519.24011	2.2
533.25488	4.7
534.25256	1.5
535.23712	1.3
537.24939	6.9
551.26465	25.1
552.27203	1.5
561.24847	7.3
565.28094	19.4
566.28857	100.0
567.29175	5.2
593.27612	13.8
621.26910	19.0
635.28668	2.1
653.29663	98.8
654.30231	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	653.2963
Annotation	Haplophytine
Peak:m/z	Relative Intensity
71.47364	0.6
95.08615	0.7
136.17647	0.5
261.13342	0.5
375.12112	1.1
377.17670	2.1
389.18481	1.0
390.18436	1.4
391.19147	5.6
392.19977	2.1
404.20062	1.5
405.20804	9.7
406.21436	8.8
406.26254	0.7
407.22220	1.0
419.22766	3.3
420.23114	5.3
421.23837	11.9
422.24490	0.7
429.20804	0.6
431.18317	0.8
432.23615	0.8
433.20370	4.4
433.25018	1.4
434.24780	1.5
435.18356	1.5
436.13696	0.5
436.18665	2.6
445.20453	1.6
447.21936	2.0
449.19928	1.5
449.27066	1.0
450.20486	2.8
451.21130	1.2
452.21997	2.7
459.17627	1.0
460.22485	3.0
461.23883	0.7
463.21765	1.5
465.22852	42.9
473.19498	2.7
474.20221	0.6
475.24814	1.8
477.27106	0.7
478.23819	1.1
479.24536	6.2
480.25085	3.7
487.21310	2.2
488.22263	4.7
489.22568	0.6
491.21127	2.1
492.21869	1.7
501.22958	2.2
502.24020	0.9
503.24417	46.4
504.24915	1.3
507.27713	3.3
533.25452	0.7
535.27051	38.5
551.26538	4.6
561.25073	2.5
562.24860	0.8
566.29010	1.2
579.26013	36.5
580.26208	0.6
589.24286	0.6
593.27875	2.1
594.28271	19.3
621.27124	16.5
653.29675	100.0
654.30243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.26
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
52.58664	1.5
65.33298	1.3
67.05502	1.7
69.85935	7.9
77.20042	1.3
79.05469	1.5
89.37619	1.5
95.08616	2.4
105.07031	1.8
138.00436	1.3
181.00160	1.6
184.07375	1.7
192.48724	1.4
275.55408	1.4
363.16211	2.6
375.16190	2.5
376.17105	2.4
377.17673	6.2
378.18491	5.1
389.17789	2.2
390.18478	3.5
391.19156	9.8
392.19937	4.3
393.20789	5.7
402.14902	1.6
403.19351	1.7
405.21045	8.9
406.21677	2.3
407.22488	13.2
414.14603	2.5
417.21463	2.0
419.22345	4.6
420.19287	2.0
421.20715	7.4
429.21548	1.9
433.20135	2.3
434.21545	3.0
435.22104	12.6
436.22647	2.6
437.19742	3.8
447.21732	5.8
449.19791	3.3
451.21600	7.6
459.17938	1.8
461.23550	4.4
462.24057	3.0
465.18900	10.0
466.20099	2.4
467.09567	1.6
473.19965	3.1
477.19305	2.0
479.20685	17.6
480.21381	2.4
487.22177	2.0
489.22986	4.4
498.20746	2.0
501.19144	6.5
505.18274	7.5
506.19882	1.7
507.24429	1.8
515.20825	6.5
517.22363	32.6
518.23059	2.3
519.24365	2.2
521.25482	9.2
522.26324	4.1
537.24487	3.4
547.23553	4.9
549.25000	41.5
550.25653	3.4
551.23145	6.5
565.24493	6.4
566.25262	28.2
575.22717	15.6
576.23663	2.4
593.23804	19.2
594.24860	2.9
603.22095	2.1
604.76483	1.5
607.25751	4.9
609.27094	11.1
625.26428	2.3
635.25000	100.0
636.25391	3.8
653.26068	81.0
654.26190	4.0
656.15234	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	652.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
57.03409	0.5
69.03085	0.5
69.03423	5.4
70.06548	0.3
70.85988	0.8
71.04971	0.7
73.02909	1.8
79.01846	0.6
81.03408	2.4
85.02900	2.2
87.04470	0.8
91.05441	0.4
97.02911	1.4
99.04429	0.7
101.02413	0.4
103.05451	0.4
106.29568	0.4
109.02878	2.8
119.04901	0.4
121.18024	0.3
127.03909	5.7
131.04857	0.6
143.03416	0.7
144.08061	0.7
145.04924	0.9
147.04358	0.5
152.07132	0.4
153.01810	8.9
153.02881	0.4
157.02872	0.5
171.02922	0.7
173.02353	0.5
175.03862	2.1
185.02287	0.9
187.03914	3.4
191.03384	0.9
201.01837	0.9
203.03391	2.6
213.01802	2.9
215.03377	3.3
219.02896	0.5
229.01277	0.9
231.02873	15.4
241.01273	2.5
246.32980	0.3
247.02301	1.6
257.00760	1.9
259.02365	28.7
260.02768	1.3
275.01886	2.8
276.02655	1.9
277.03403	100.0
278.03708	2.9
285.00354	1.5
289.03424	0.3
295.06015	0.5
303.01318	26.1
304.01746	0.8
314.12512	0.3
321.02435	2.5
385.05417	0.6
411.03439	0.4
429.03943	0.4
441.73428	0.3
447.05554	4.7
465.06577	4.0
490.17200	0.5
559.25623	0.3
613.44360	0.3
635.07294	0.4
652.22247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4101
Annotation	Quadranoside I
Peak:m/z	Relative Intensity
53.03931	4.1
54.73330	3.1
55.05510	24.7
56.63094	3.5
57.03430	3.9
57.07069	8.7
59.67542	3.7
65.03922	3.6
67.05496	28.3
69.03417	10.0
69.07076	25.0
69.47054	4.9
69.47461	25.7
71.04984	5.9
79.05497	21.3
80.09995	3.3
81.03397	10.5
81.07050	60.9
83.04977	10.2
83.08609	15.0
85.02902	20.9
85.06548	5.7
91.05472	28.9
93.06497	4.2
93.07043	60.6
95.04955	16.6
95.08605	68.9
96.88317	3.9
97.06535	4.1
97.10121	9.7
98.21542	3.8
99.04463	5.9
105.07033	44.5
107.04942	9.7
107.07889	5.9
107.08589	100.0
109.02859	5.4
109.06560	4.8
109.10149	52.9
111.04412	5.4
111.08071	18.3
117.06992	8.6
119.04902	5.0
119.08572	81.4
121.06507	6.4
121.10137	48.3
123.08034	7.9
123.11691	21.1
125.09623	58.1
127.07517	4.1
128.06207	5.4
129.07027	4.0
131.08572	27.5
133.10123	68.0
135.08051	7.4
135.11667	22.4
137.05997	5.3
137.09622	13.0
137.13185	4.0
139.11060	3.4
141.06870	3.6
141.52991	3.9
143.08582	11.5
144.09268	3.9
144.44081	3.7
145.10104	48.5
147.04451	4.5
147.11697	29.8
149.09560	10.9
149.13242	14.8
151.11119	6.5
153.09119	4.0
157.10109	17.6
159.11705	49.6
161.09593	4.7
161.13248	25.3
163.03967	3.9
163.11136	4.8
163.14792	15.2
165.09074	6.0
169.10127	3.9
171.11662	11.4
173.13252	31.2
175.11116	6.4
175.14841	31.9
177.09134	5.8
177.12740	3.8
177.16443	16.5
185.13222	9.2
187.14821	55.2
189.16365	49.5
191.14317	5.4
191.17935	11.8
193.15961	5.5
197.13210	5.2
199.14854	21.9
201.14619	6.5
201.16380	83.1
203.17892	16.5
205.15886	11.7
207.06453	5.5
213.16364	36.5
215.17969	39.3
217.15936	8.0
217.19498	5.4
218.97353	4.3
219.17464	22.9
227.17891	6.6
229.19450	6.6
231.17473	5.1
233.19034	10.1
235.16925	13.0
241.19469	11.0
247.16902	16.9
249.18555	4.6
261.18451	11.7
267.21051	8.7
275.20169	4.5
281.22638	3.9
341.24771	6.6
341.41058	3.9
389.32056	20.4
391.33173	5.3
407.33026	86.4
409.35056	5.2
423.32434	8.1
435.32568	42.2
453.33649	75.9
464.30389	3.8
496.94333	4.3
651.29102	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	650.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
56.92090	0.2
57.07071	0.4
58.06581	0.7
58.28777	0.3
60.08162	5.8
63.07372	0.3
64.00024	0.2
67.05491	1.1
71.07372	3.1
81.03408	0.5
81.07055	0.6
83.08598	0.4
86.09706	29.3
87.22916	0.3
91.05499	0.4
95.00179	0.3
95.08593	0.3
98.98461	3.0
104.10738	2.3
109.10147	0.9
121.10094	0.3
125.00001	19.3
145.10063	0.3
166.02629	0.4
184.07341	100.0
185.07730	0.6
225.13144	0.2
288.88486	0.3
311.39114	0.3
518.05127	0.3
518.63702	0.3
598.59082	0.3
650.43988	6.1
651.44275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4098
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
52.76605	0.6
53.03939	1.7
55.01865	0.7
55.05506	6.1
57.03413	1.2
57.07065	1.2
61.02922	1.3
65.03931	0.8
67.05144	0.6
67.05502	12.7
69.03428	4.7
69.07068	8.4
70.64710	2.3
70.65058	0.6
71.04987	1.5
71.08615	0.6
79.05486	8.7
81.03414	4.5
81.07054	25.8
83.04972	0.8
83.08607	4.1
85.02898	8.0
85.06522	0.9
87.04445	1.1
91.03927	0.8
91.05472	11.7
92.66922	0.6
93.07035	17.5
95.04950	4.5
95.08600	29.5
97.02897	3.8
97.06543	1.5
97.10164	3.6
103.05388	0.8
105.07021	30.7
107.04942	1.0
107.08585	27.1
109.02863	1.9
109.06499	3.0
109.10151	18.4
111.08097	1.0
115.83450	0.7
117.06998	4.0
119.06009	0.7
119.08570	31.9
121.06482	1.9
121.10134	19.4
123.08055	2.8
123.11686	4.2
125.09609	2.0
127.03915	1.9
127.07515	0.9
128.06238	0.7
129.06981	2.7
130.07736	0.7
131.08553	14.9
133.10120	23.2
135.08057	1.6
135.11679	11.3
137.09575	2.5
137.13245	1.1
139.11113	0.8
141.06947	0.9
143.08566	4.5
144.09354	1.3
145.06435	0.9
145.10114	22.5
146.10828	1.1
147.07990	0.9
147.11682	14.0
149.06020	1.1
149.09612	2.3
149.13261	6.4
151.11142	1.1
153.09137	1.2
155.08549	1.4
157.10120	6.4
158.10893	1.9
159.10477	1.3
159.11687	17.4
160.12236	0.7
161.09615	1.4
161.13223	10.9
163.11160	1.7
163.14821	12.7
165.09113	0.9
169.10126	1.5
171.11682	5.8
173.09746	0.8
173.13258	29.2
175.14812	100.0
176.15213	1.5
177.09142	1.2
177.12691	0.8
177.16362	8.3
183.11676	2.1
185.13258	2.8
187.14796	8.5
189.12762	1.2
189.16379	6.0
191.10767	0.9
191.14270	3.0
191.17900	5.4
193.12160	0.7
197.13229	2.1
199.14771	4.9
201.12737	2.8
201.16371	19.8
203.14420	0.8
203.17935	13.4
205.12309	1.2
205.15877	1.6
207.13776	0.9
211.14824	0.8
213.16339	4.0
215.14549	3.3
215.17935	15.6
217.12053	1.0
217.15984	0.9
217.19566	3.4
219.14165	6.4
219.17427	53.9
220.17708	1.1
221.15356	1.2
225.16344	1.9
227.17899	5.5
229.19487	2.9
233.15321	1.9
233.19000	5.2
237.14784	10.5
241.19519	1.4
243.13841	0.9
243.21078	3.2
245.15410	1.2
247.16866	1.6
251.24779	0.7
255.21036	3.1
257.22623	1.1
261.14951	1.0
261.22125	0.8
265.17746	0.8
267.20929	1.4
269.22623	2.3
273.18481	1.1
276.41971	0.7
281.22491	1.1
283.24191	1.8
287.20053	0.9
291.19470	0.9
379.33517	0.9
389.31839	1.2
391.33670	0.9
407.32932	2.5
420.57230	0.7
423.32495	1.3
425.34305	1.8
435.32501	6.9
441.33630	7.2
453.33694	27.8
454.33829	1.1
471.34717	25.3
472.35110	0.8
489.09476	1.0
578.61829	0.8
615.38477	2.2
633.39929	58.2
634.39630	2.7
651.41119	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	649.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.48301	0.7
55.05497	3.7
55.33754	1.0
55.71597	0.8
55.91328	0.9
57.03435	1.5
57.07059	3.1
59.74770	0.8
67.05498	8.5
69.07067	7.5
71.08612	2.5
71.21163	1.3
79.05482	5.3
81.03406	2.8
81.07047	13.2
83.04974	1.2
83.08625	7.7
89.03912	4.6
91.05470	5.9
93.07050	9.0
95.04947	1.3
95.08604	19.8
97.10144	1.4
102.62460	0.9
105.07016	10.7
107.08588	15.9
109.10146	10.5
111.08055	0.8
115.05433	1.3
117.03370	15.7
117.07005	1.9
119.08570	19.3
120.08948	1.0
121.10146	14.9
123.04457	0.9
123.11687	6.7
127.28411	0.8
129.06989	0.9
131.08577	4.2
133.10110	12.9
134.03600	1.6
134.46413	0.8
135.04391	2.1
135.08160	0.7
135.11688	10.0
136.41325	0.8
137.13240	2.2
143.08530	2.6
145.02840	43.1
145.10135	7.2
147.11650	9.7
149.05975	7.0
149.13257	6.2
153.09041	1.5
155.08594	1.1
157.10074	2.1
159.11678	7.4
161.13309	7.3
163.03886	3.4
163.11234	1.1
163.14799	4.8
165.09160	1.1
171.11653	2.5
173.13321	4.8
175.14810	8.0
177.05461	100.0
177.16339	9.1
178.05814	1.7
179.14343	1.8
185.13353	1.4
186.05515	3.3
187.14832	3.4
189.16374	15.9
191.17929	3.0
195.06512	31.1
196.06886	1.1
201.16391	12.2
203.17944	20.2
205.15808	3.0
205.19565	1.3
207.17331	2.3
213.16335	2.1
215.17946	11.9
217.19490	1.6
219.17424	1.2
221.15540	0.8
221.18985	0.8
227.17851	1.1
229.19487	1.3
235.17036	1.5
241.19482	1.8
243.21107	2.0
247.16881	5.9
249.18504	2.2
255.20975	0.9
261.18469	7.0
269.22662	1.1
273.14810	2.3
277.21600	2.0
301.14172	1.5
313.27316	1.6
315.23093	1.2
365.31921	1.6
391.33554	6.1
394.28485	1.1
395.28931	1.1
409.34592	5.4
411.32523	8.0
437.34116	23.8
649.38495	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	649.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.4
57.07063	1.5
67.05508	6.8
69.03416	0.7
69.07075	6.8
69.86506	2.6
71.04939	0.7
79.05482	5.3
81.03439	1.6
81.07056	15.2
82.68378	0.6
83.08624	5.0
89.03925	5.6
91.05479	6.1
93.07038	11.1
95.04956	0.7
95.08607	23.6
97.10159	1.0
105.07034	9.5
107.08590	16.6
109.06493	1.0
109.10156	10.2
117.03378	15.8
117.07018	0.8
119.08575	11.2
121.06506	0.7
121.09335	1.1
121.10146	13.9
123.11700	4.5
129.07043	1.0
131.04993	0.8
131.08554	4.8
133.10118	8.6
134.03619	0.7
135.04404	2.6
135.11687	12.1
137.13249	7.3
143.08536	1.9
145.02844	43.2
145.10117	5.2
147.11688	6.1
149.05957	7.1
149.13255	13.0
151.14764	1.4
157.06274	0.7
157.10103	3.6
158.05981	0.8
159.11725	4.6
161.13264	4.7
163.03896	3.0
163.14859	2.2
171.11708	3.4
173.04459	0.7
173.13342	3.3
175.14841	4.5
177.05469	100.0
177.16367	12.7
178.05840	1.9
185.13266	3.1
186.05513	2.0
187.14882	4.9
189.16405	7.8
191.17987	4.3
193.15987	0.6
195.06520	38.2
196.06822	0.8
199.14839	2.5
201.16345	7.0
202.16658	0.7
203.17963	18.4
205.19394	0.8
207.17432	1.0
211.14799	0.8
213.16315	4.7
215.18011	3.5
217.19534	1.4
221.15733	1.0
227.17848	0.7
229.19484	1.4
241.19525	4.8
243.21053	1.0
249.18466	0.9
253.19458	1.4
255.21120	1.7
259.16910	3.8
269.22485	1.1
285.18488	1.3
287.20023	2.8
292.93506	0.7
299.20123	0.9
313.21393	1.3
321.25516	0.7
351.16010	1.0
365.32037	0.9
379.06506	0.7
391.33621	5.9
409.34604	3.0
411.32468	3.3
437.34192	15.0
455.35004	1.7
624.64551	0.7
649.36749	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	649.4087
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03935	0.9
55.01854	1.3
55.05510	6.9
57.03429	1.5
57.06824	0.8
57.07075	7.7
65.03918	0.8
67.05504	10.4
69.03418	1.3
69.07063	7.4
69.82730	0.6
70.53117	1.2
70.53501	1.3
71.04985	1.1
71.08628	5.0
79.05489	7.8
81.03419	8.5
81.07050	14.2
83.04964	1.8
83.08610	8.6
85.02903	1.4
85.10155	1.9
89.03920	6.0
91.05471	8.1
93.07031	9.9
95.04960	3.9
95.08600	20.4
97.02896	1.3
97.10139	3.9
103.05431	1.0
105.07023	12.2
107.04935	1.2
107.08585	14.2
109.02851	3.4
109.10146	12.0
111.04456	0.9
111.08067	1.7
115.05439	0.8
117.03370	16.9
117.06998	2.7
119.04949	0.8
119.08580	17.7
121.06504	2.8
121.10131	12.6
123.08036	1.0
123.10912	1.0
123.11695	5.9
125.02337	1.7
125.09578	1.3
127.03925	1.7
128.06183	0.8
129.07004	2.0
131.08549	4.8
133.10114	11.9
134.03618	1.5
135.04373	3.1
135.11685	8.9
137.09579	0.6
137.13263	2.5
141.07045	0.7
143.08560	2.4
145.02840	44.2
145.06444	1.0
145.10107	7.7
146.10445	0.7
147.04359	2.2
147.08054	0.8
147.11661	11.6
149.05966	10.3
149.09605	0.7
149.13252	5.2
153.09132	1.1
155.08556	0.9
157.10103	2.6
158.10881	0.9
159.11691	7.2
161.06007	0.9
161.13263	6.1
163.03885	2.4
163.11156	1.3
163.14841	5.6
165.12773	1.0
169.10095	0.9
171.11655	1.9
173.13258	3.5
175.11284	1.1
175.14841	8.7
177.05463	100.0
177.16382	9.1
178.05853	1.7
179.14348	0.9
183.11623	0.8
185.13274	1.0
186.05516	3.0
187.14793	2.9
189.16377	17.1
191.17957	3.5
193.12242	2.8
193.15895	1.0
195.06519	31.9
195.08286	1.5
197.13286	0.9
199.14816	2.3
201.16379	15.6
203.17941	21.7
205.15932	1.4
205.19627	0.9
207.17491	3.9
211.13275	1.9
213.16365	3.9
215.17953	13.4
217.19423	1.1
219.17459	0.9
227.18022	1.2
229.19484	2.3
233.15550	0.7
234.52632	0.7
235.16925	1.9
241.19521	1.9
243.20978	2.5
245.15427	1.1
247.16954	2.9
249.18544	1.6
253.19556	1.3
255.13715	0.9
255.21086	1.3
259.17004	1.2
261.18448	4.0
267.15884	4.2
267.20938	1.0
269.22675	1.3
273.14828	2.5
287.20096	0.7
301.14362	3.7
301.21927	1.1
313.27341	9.6
315.23297	1.1
319.15387	6.7
329.24899	0.8
349.28494	0.7
365.32153	0.9
375.18146	1.1
384.07843	0.7
391.33536	6.1
393.19211	2.6
409.34604	5.6
411.32544	4.6
437.34146	23.1
438.34650	1.6
505.38626	3.1
523.39954	3.1
631.41730	2.5
649.43427	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	649.3946
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
50.57652	0.3
53.03938	0.3
55.05509	1.8
57.03430	0.4
57.07071	0.5
59.04996	0.3
61.02913	0.5
67.05512	1.9
69.03428	1.2
69.07073	2.4
69.34925	2.7
79.05495	1.5
81.03436	0.8
81.07056	4.2
83.04980	2.1
83.08627	1.3
85.02903	2.2
85.06543	0.7
91.05456	1.8
93.07053	3.2
95.04974	1.1
95.08610	6.6
95.59072	0.3
97.02899	0.7
97.06524	0.9
97.10209	0.6
99.04450	0.4
104.55007	0.3
105.07030	6.4
105.07693	0.4
107.04967	0.3
107.08591	5.5
109.06532	1.2
109.10155	4.6
111.08076	0.8
117.07034	0.4
119.07722	0.4
119.08582	8.3
121.06515	0.8
121.10146	6.0
123.08069	1.0
123.11678	2.5
125.05952	0.3
125.09609	0.5
127.03934	0.5
129.07040	0.7
131.08559	2.3
133.09138	0.4
133.10135	7.5
135.08073	1.1
135.11690	3.2
137.04878	0.2
137.05988	0.5
137.09628	1.2
137.13246	0.4
139.11188	0.3
141.05597	0.3
141.06970	0.4
142.07716	0.3
143.08540	1.7
145.04979	0.5
145.10126	4.3
147.08072	0.9
147.11676	3.6
149.09631	1.6
149.13252	2.0
151.11195	1.0
153.09145	0.6
155.08582	1.0
157.10114	2.5
158.10849	0.3
159.08057	0.6
159.11708	2.8
161.09644	1.9
161.13252	2.3
163.07533	0.4
163.11172	0.9
163.14818	2.0
165.09155	0.4
169.10120	0.9
171.11678	2.0
173.09642	1.0
173.13271	4.5
175.11240	0.6
175.14825	6.2
176.18843	0.3
177.09065	0.4
177.12782	0.6
177.16454	1.4
179.14337	0.4
182.10936	0.3
183.11745	1.3
185.13292	1.2
187.11147	0.5
187.14833	4.7
189.12802	0.9
189.16379	11.3
191.10606	0.3
191.14340	0.9
191.17979	0.7
193.08635	0.3
193.15872	0.4
195.11865	0.4
195.13852	0.3
197.13232	2.1
199.14838	3.7
201.12766	0.7
201.16420	0.9
205.15871	1.6
207.17450	0.7
209.13234	0.3
211.14766	1.5
213.16388	1.8
215.14343	2.9
215.17975	0.6
217.15874	6.1
223.14813	0.4
223.17000	0.5
225.16402	0.5
227.17999	1.0
229.15927	0.8
229.19472	0.6
231.17477	1.0
233.15369	2.1
235.14883	0.6
235.16985	2.0
237.08771	0.3
239.17897	0.5
243.17642	0.4
243.21147	0.6
245.19197	0.7
247.17009	0.3
251.16283	1.9
253.19510	1.5
257.18997	0.8
261.14682	0.5
267.21149	0.4
271.20557	3.0
275.16254	0.4
285.22171	0.5
303.05054	0.3
313.21829	0.3
317.21146	0.7
387.30515	0.6
405.31570	3.2
423.32599	3.3
433.31116	1.0
441.33682	5.4
451.32162	2.1
469.33353	1.4
487.34189	100.0
488.34442	2.4
540.68237	0.3
649.23065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05502	1.3
57.03427	0.4
57.07066	0.6
61.02926	0.3
67.05500	1.9
69.03414	1.2
69.07063	2.4
71.04987	0.5
71.23036	0.7
79.05499	1.4
81.03439	0.6
81.07050	3.9
83.04977	2.7
83.08618	1.1
85.02900	2.6
85.06544	0.3
90.12420	0.3
90.53945	0.2
91.05469	1.5
93.07040	3.1
95.04961	1.0
95.08599	5.8
97.02883	0.8
97.06510	0.8
97.10170	0.5
99.08088	0.4
103.28806	0.3
105.07017	7.3
107.04932	0.4
107.08594	6.0
109.02847	0.6
109.06503	1.1
109.10156	5.1
111.08062	0.6
115.45155	0.3
117.07018	0.7
119.08578	8.8
121.06497	0.9
121.10136	6.5
123.04449	0.3
123.08051	1.2
123.11701	2.0
125.09628	0.4
127.03929	0.4
129.07005	0.5
130.07790	0.3
131.08575	1.9
133.06453	0.3
133.10129	8.0
134.80052	0.3
135.08026	0.8
135.11670	3.6
137.09612	0.9
137.13258	0.5
139.07574	0.3
141.06985	0.5
143.08549	1.3
145.06499	0.5
145.10129	3.3
147.04370	0.3
147.07985	0.5
147.11671	3.1
149.09601	1.1
149.13235	1.5
151.11165	1.3
151.40306	0.3
153.09067	0.5
155.08571	0.8
156.09406	0.3
157.10109	2.1
158.10854	0.5
159.08064	0.7
159.11674	2.2
161.09602	2.2
161.13206	2.3
163.07573	0.4
163.11205	0.5
163.14832	1.6
165.12833	0.4
167.10728	0.3
169.10104	0.8
171.11688	1.5
173.09637	0.5
173.13271	4.3
175.11166	0.7
175.14813	5.5
177.09055	0.4
177.12787	0.6
177.16391	1.3
179.14281	0.3
183.11696	1.2
185.13237	1.2
187.11244	0.7
187.14807	5.9
189.12721	1.0
189.16374	12.0
191.14314	1.1
191.17967	0.5
193.15973	0.3
197.13266	2.0
199.14807	2.9
201.12753	0.4
201.16391	1.2
203.17894	0.4
205.15894	1.6
207.17436	1.1
207.76241	0.3
211.14803	1.2
213.16399	1.5
215.14317	3.3
215.17876	0.4
217.15862	6.4
219.13965	0.3
223.16904	0.5
225.16402	0.7
227.17976	1.2
229.15881	1.0
229.19484	0.6
231.17433	1.1
233.15388	1.7
235.16917	2.5
239.17992	0.4
241.19461	0.6
243.17448	0.3
243.20982	0.5
245.19044	0.5
251.16243	1.3
253.19490	1.7
255.17569	0.4
255.20787	0.4
257.19104	0.7
261.14813	0.3
267.21097	0.6
271.20547	4.0
275.16299	0.4
289.25391	0.5
297.22046	0.3
299.20163	0.4
317.21091	0.9
387.30374	0.5
405.31625	2.7
423.32611	3.6
433.30988	0.8
439.32156	0.3
441.33572	6.3
451.32166	2.2
469.33289	1.5
487.34158	100.0
488.34573	2.3
526.84015	0.3
578.93402	0.3
649.22131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3943
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
53.03925	0.7
55.01872	0.8
55.05507	1.9
57.03442	0.7
57.07061	0.6
60.26508	0.3
61.02922	0.9
65.03902	0.3
67.05502	2.6
69.03418	1.8
69.07071	2.5
71.04980	0.7
73.02915	0.4
79.05503	1.9
79.09510	0.3
81.03418	1.4
81.07050	5.0
83.04986	1.7
83.08624	1.1
85.02901	4.1
85.06540	0.5
86.42496	0.3
87.04436	0.3
88.90485	0.3
91.05478	2.2
92.35345	0.3
93.07037	4.1
95.04974	1.0
95.08604	7.3
97.02892	1.6
97.06541	0.8
97.10160	0.6
99.04459	0.3
99.08105	0.3
103.05463	0.4
103.96140	0.3
105.07030	6.3
107.04948	0.7
107.08585	7.6
107.90282	0.3
109.02867	0.7
109.06515	1.1
109.10153	5.4
111.04440	0.4
111.08068	0.9
113.85213	0.4
115.05471	0.5
116.41267	0.3
117.06994	0.6
119.08583	8.6
121.06503	1.2
121.10143	7.0
123.08078	1.2
123.11703	2.4
125.09646	0.7
127.03909	0.9
129.07001	0.8
131.08580	2.0
133.10139	7.3
135.08069	1.2
135.11690	4.3
137.09593	1.1
137.13191	0.6
139.07512	0.7
139.11232	0.5
141.07010	0.4
143.08577	2.0
145.04948	0.8
145.06543	0.4
145.10123	5.0
147.08028	0.8
147.11679	3.6
149.09621	2.3
149.13257	1.7
151.11191	0.8
153.09074	0.7
155.08516	1.0
155.10533	0.3
157.10098	2.0
159.08040	0.9
159.11703	3.0
161.09598	2.5
161.13228	2.1
163.07521	0.5
163.11205	1.0
163.14841	1.6
165.09103	0.5
169.10117	1.0
171.11696	2.3
172.12428	0.4
173.09605	0.9
173.13278	3.6
175.11201	1.5
175.14818	5.9
177.09138	0.3
177.12701	0.7
177.16385	1.2
182.10974	0.3
183.11722	1.5
185.09705	0.4
185.13297	1.2
187.11177	0.9
187.14810	5.7
187.16476	0.4
189.12761	1.2
189.16374	6.9
191.03448	0.4
191.14313	0.9
191.17900	1.5
193.15878	0.7
195.11598	0.4
197.13303	1.2
199.14818	2.6
201.12724	0.9
201.16435	1.0
203.14357	0.7
203.17799	0.4
205.15913	1.8
209.13290	0.5
211.14824	0.8
213.12758	0.4
213.16411	0.9
215.14333	3.1
215.17888	0.4
217.15851	2.8
219.85524	0.3
223.14867	0.4
223.16956	0.5
225.16292	0.4
227.14381	0.4
227.17934	0.8
229.15840	0.7
229.19479	0.5
231.17511	0.8
233.15384	2.6
235.16986	1.4
239.17958	0.5
241.19415	0.5
243.17265	0.4
245.19009	0.4
248.44432	0.3
251.16376	3.6
253.19618	1.2
257.19034	0.7
261.14844	0.6
271.20636	1.1
277.03436	0.7
297.22137	0.6
317.21158	0.9
319.19150	0.3
387.30713	0.5
405.31546	2.5
423.32684	2.2
433.31091	1.3
439.31863	0.6
441.33627	4.7
451.26404	0.5
451.32114	5.0
464.00842	0.3
469.33047	4.6
487.34180	100.0
488.34604	1.0
649.39526	0.5
650.72546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3944
Annotation	Rubuside H
Peak:m/z	Relative Intensity
53.03951	8.3
55.01870	7.3
55.05510	39.3
57.03442	12.4
57.07069	4.7
59.05003	3.7
61.02919	8.3
65.03938	3.3
67.05503	97.3
68.05840	1.9
69.03425	27.0
69.07065	24.1
69.22490	9.4
69.22919	12.4
71.04993	7.5
73.02915	6.5
76.58709	1.8
79.05495	42.6
79.05926	4.1
81.03413	50.4
81.07055	60.0
83.04980	14.8
83.08616	20.4
85.02903	13.9
85.06548	6.3
87.04479	2.4
91.03969	2.2
91.05482	50.4
91.27749	2.2
93.07041	45.8
95.04961	12.8
95.08602	34.9
97.02888	22.0
97.06534	6.2
97.10170	20.3
99.04485	6.3
103.03976	2.4
103.05465	2.5
105.07033	45.0
105.07708	3.7
107.04962	8.2
107.08595	34.7
109.02895	8.7
109.06517	4.2
109.10154	52.0
111.04449	8.2
111.08095	8.5
113.06023	2.2
115.03986	2.3
115.05563	2.8
117.07011	21.4
119.04944	4.8
119.08575	46.4
119.09367	2.8
121.06500	3.5
121.10122	20.3
123.08115	3.4
123.11707	3.1
125.09618	19.9
127.03915	10.9
128.06229	6.6
129.05489	3.5
129.06998	17.8
130.07834	3.1
131.08572	35.0
133.10139	29.9
135.08109	3.8
135.11702	13.2
137.06024	3.1
137.09619	6.1
141.07021	7.1
142.07780	3.5
143.08591	19.2
145.06502	3.9
145.10130	29.0
147.04391	19.8
147.08110	4.4
147.11690	17.8
149.09682	4.1
149.13269	8.3
153.09103	3.4
155.08536	12.3
155.10703	2.7
156.09386	2.9
157.06508	2.8
157.10127	18.0
159.08099	4.0
159.11708	23.6
161.09673	6.4
161.13301	9.2
163.03998	2.8
163.11150	4.3
163.14864	3.5
165.06985	2.1
167.08627	5.4
169.06474	2.1
169.10147	11.3
171.08131	2.5
171.11684	17.8
173.09529	3.8
173.11784	13.7
173.13316	13.9
175.11172	3.5
175.14813	11.2
179.08592	3.3
179.14359	2.8
181.10121	7.3
183.11636	10.8
184.88911	2.1
185.09631	3.5
185.13261	13.4
187.11337	2.4
187.14864	8.8
189.11250	13.2
189.12773	4.5
189.16406	4.0
193.10123	2.3
195.11705	5.1
197.09538	2.5
197.13365	6.3
199.11276	2.9
199.13177	2.1
199.14897	7.8
201.12810	3.7
201.16454	2.5
207.11824	3.4
209.13339	4.9
211.14911	5.3
213.12787	2.9
213.16360	3.6
215.14516	2.4
219.13869	2.6
225.16516	3.1
227.12689	13.5
229.14311	15.4
229.19499	2.9
237.16359	3.8
239.14302	3.1
241.19679	4.9
243.21135	3.3
245.13922	6.7
253.19617	3.3
257.19067	5.6
259.20633	9.1
261.22250	6.4
271.20618	3.4
273.22247	2.4
277.21786	2.8
283.15231	5.8
283.20590	4.0
287.03604	2.4
297.22308	2.8
299.20230	3.5
301.21716	6.2
313.21628	3.8
315.23239	2.5
333.24374	8.7
335.25946	6.7
339.23264	3.3
347.26086	2.5
349.21597	4.7
351.23160	3.8
367.22781	8.4
369.24149	3.2
371.16962	4.3
373.18747	7.6
375.25302	2.2
385.23724	5.3
395.29443	5.4
406.58276	2.5
412.89163	2.0
449.30167	3.8
459.27582	3.8
467.31671	8.0
469.33075	5.7
485.32822	7.8
487.34204	79.8
488.34259	3.4
505.35355	2.5
583.35889	5.1
595.36145	14.5
598.09198	2.5
613.37329	17.8
631.38226	27.7
649.39282	100.0
650.39740	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	649.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	3.2
53.03947	15.3
55.01864	6.0
55.05508	23.8
57.03439	15.1
65.03937	5.0
65.49113	2.5
67.05501	77.2
69.03423	17.7
69.07059	16.2
71.04974	9.0
79.05489	100.0
80.06937	2.3
81.03416	45.7
81.07055	71.7
83.04971	22.9
83.08597	11.6
84.16116	2.4
85.02902	16.6
85.06547	4.4
91.05480	86.8
93.07038	92.1
95.04958	37.1
95.08598	38.2
97.02864	8.3
97.06519	8.0
97.10155	4.9
98.20641	3.8
98.26421	2.8
98.44511	2.6
99.04450	3.7
101.02412	2.5
103.05442	4.8
105.04468	4.4
105.07027	66.9
107.04923	17.9
107.08578	37.2
109.02881	7.5
109.06499	9.7
109.10141	9.0
111.04396	3.8
111.08052	4.1
115.05436	6.4
117.07019	22.9
119.08570	35.2
121.06496	8.4
121.10132	12.3
123.08052	11.2
127.03895	7.7
128.06200	7.7
129.06998	35.1
131.04921	6.5
131.08554	24.4
133.06506	9.0
133.10121	20.1
135.08078	5.8
141.06992	5.2
141.57727	2.5
143.08557	28.2
145.06480	7.6
145.10123	16.1
147.08018	9.5
147.11684	43.3
149.09579	4.0
150.65517	3.2
153.07037	4.1
155.08536	11.5
157.06511	4.5
157.10110	10.5
159.08055	4.4
159.11694	5.7
161.09627	7.6
161.13258	16.7
163.11171	4.7
167.08510	4.8
169.10114	5.9
171.08015	4.0
171.11684	40.9
173.04478	9.2
173.13235	4.4
177.12755	2.5
179.14307	4.5
181.10081	4.4
185.09625	3.6
187.11159	5.2
189.12735	18.8
193.10132	4.5
195.73882	2.5
206.41910	2.7
207.13792	45.0
209.13205	3.0
213.05510	3.7
213.12674	3.0
225.14798	5.4
227.14438	3.4
241.15857	7.8
245.15302	3.4
251.14233	3.7
252.66933	2.5
259.16953	8.2
263.16382	3.9
269.15262	14.0
277.18390	2.8
279.15799	3.7
281.17474	61.8
287.16324	20.8
305.17377	3.7
307.44922	2.5
309.16861	3.7
343.19016	5.7
351.18051	4.7
361.19983	5.8
387.00662	2.7
407.20718	4.2
425.21472	5.7
487.30515	49.9
501.31845	5.8
529.31616	4.3
549.31073	2.7
567.33240	6.0
631.34363	8.9
649.37726	5.0
666.68445	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	649.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03426	1.8
58.58310	0.4
61.02914	1.0
69.03422	2.1
70.23512	0.4
71.01348	0.6
71.50711	0.6
73.02921	2.3
81.03425	0.8
85.02904	8.2
90.37788	0.4
91.05482	0.8
97.02896	3.3
98.97562	0.5
103.03935	1.2
103.05461	1.5
105.10307	0.5
109.02873	0.8
109.19221	0.4
115.03916	1.3
115.05445	2.4
116.13948	0.4
117.07014	20.0
118.07329	0.5
123.04470	0.6
124.04760	0.4
125.02339	1.0
127.03902	2.2
127.05414	0.6
128.06328	0.4
129.06969	0.9
131.06023	0.4
133.04951	5.2
137.06006	0.8
141.07002	0.7
143.04933	0.8
145.06477	100.0
146.06880	1.0
147.04399	0.6
147.08040	1.5
153.01834	1.1
155.06020	4.8
163.03883	0.9
163.06073	0.7
169.06490	1.8
179.05476	1.9
179.06877	0.5
181.06494	1.0
183.07953	0.6
211.07565	1.3
211.80225	0.5
253.08641	0.6
271.11176	1.1
303.01294	0.5
474.68048	0.4
496.15198	0.5
534.82599	0.5
572.97766	0.5
649.21411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01843	0.3
55.05503	1.3
57.03438	0.3
57.07069	1.1
59.04711	0.3
59.04998	3.6
59.97868	0.2
60.53394	0.2
65.03937	0.9
67.01888	0.2
67.05503	6.2
67.19344	0.2
68.99802	0.6
69.03419	1.6
69.07067	3.8
70.06190	0.4
70.06581	0.6
70.93584	0.2
71.04990	4.7
71.26972	0.2
73.02908	0.2
74.20057	0.2
75.33294	0.2
79.05490	6.9
80.05871	0.2
81.03414	1.9
81.07053	24.2
83.04971	0.8
85.02904	1.0
85.06525	0.5
91.05481	1.8
93.07041	7.8
95.04967	8.9
95.07991	0.5
95.08605	8.8
97.02884	0.8
97.06532	5.3
97.07151	0.4
97.10179	1.1
103.05466	0.6
104.71765	0.2
105.07023	4.5
107.04979	1.0
107.08585	3.0
109.02885	0.7
109.06532	1.2
109.10147	1.4
111.00795	0.8
111.04442	1.3
111.08063	0.4
111.11706	0.8
119.08587	1.0
121.02869	0.9
121.06531	1.4
121.10139	55.1
122.10449	0.5
123.04420	0.5
123.08080	1.3
123.11700	20.5
125.05996	6.9
125.09616	2.2
127.03899	0.8
127.11209	0.3
131.08598	0.4
133.07607	0.5
135.07980	0.2
137.02345	3.0
137.05968	0.6
137.09610	0.4
139.11174	14.6
143.10661	3.6
143.31020	0.2
147.08020	0.3
149.02327	0.6
149.08427	0.4
149.09616	6.5
150.09993	0.3
153.01823	3.5
161.05939	0.4
163.03922	0.6
165.01839	1.9
167.10672	26.8
168.10992	0.3
173.05930	0.4
175.04005	0.3
177.05492	0.5
183.02876	0.9
183.04314	0.3
185.11737	5.9
187.03877	0.2
195.02943	0.4
195.57188	0.2
201.05444	1.7
205.04898	0.3
215.03300	0.3
219.02756	0.3
219.06526	0.3
225.82880	0.2
229.04950	4.1
247.06012	0.7
257.04443	2.7
272.64868	0.2
274.04791	0.7
274.93393	0.3
285.03934	1.2
303.04971	100.0
304.05322	2.5
311.14896	0.9
315.05164	0.3
329.15948	0.8
345.06033	1.1
347.16919	0.8
465.10519	0.6
558.03192	0.3
665.60999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92339	0.3
53.03864	0.6
53.04077	0.4
55.01777	0.5
55.02010	0.4
55.05393	1.1
55.05681	0.6
57.03339	0.7
57.03584	0.5
61.02802	0.9
61.03137	0.6
67.05359	1.6
67.05750	0.7
69.03287	2.6
69.03711	0.8
69.06924	1.8
69.07327	0.7
69.43508	2.6
71.04885	0.5
79.05337	1.5
81.03261	2.4
81.06903	3.5
81.07420	0.6
83.04866	0.6
83.08482	0.8
83.08920	0.3
83.34918	0.3
85.02744	5.6
85.03304	1.1
85.06425	0.5
86.09554	1.0
86.10028	0.4
87.04354	0.5
90.42941	0.3
91.03828	0.5
91.05312	2.1
92.31744	0.3
93.06878	3.6
93.07519	0.6
95.04816	0.9
95.08436	4.0
95.09094	0.7
97.02719	2.2
97.06438	0.5
97.10058	0.5
99.04325	0.7
99.07956	0.4
105.06854	7.8
105.07611	0.8
107.04791	0.7
107.08412	3.9
109.02698	1.0
109.06358	1.0
109.09981	2.5
111.07925	0.8
111.08588	0.4
115.05300	0.4
117.06837	1.0
119.08392	8.8
119.09312	0.7
121.06352	0.5
121.09945	3.2
123.04275	0.7
123.07887	0.9
123.11526	1.2
124.99868	0.7
125.09496	0.5
127.03717	0.9
129.06798	0.7
131.08371	3.3
133.06342	0.5
133.09930	4.5
133.10994	0.4
135.07864	1.2
135.11658	1.9
137.05846	0.7
137.09467	0.9
139.03687	0.6
139.07317	0.3
141.06897	0.4
143.08348	2.0
145.06352	0.4
145.09921	4.9
147.04321	0.5
147.07935	0.8
147.11478	2.1
149.05876	0.6
149.09410	1.2
149.13022	1.1
153.01701	0.6
155.08418	0.7
157.09898	1.8
158.10704	1.2
159.07870	0.8
159.11699	3.1
161.09393	1.8
161.13194	2.1
163.03728	0.7
163.08588	0.3
163.11131	0.4
163.14610	1.4
165.08965	0.5
165.12617	0.6
169.09964	0.7
170.10777	0.4
171.07916	0.6
171.11674	2.0
173.09398	1.2
173.13261	13.4
175.10942	1.3
175.14821	5.6
177.12595	0.4
177.16203	0.9
183.11433	1.1
184.07327	3.2
185.09486	0.7
185.11421	0.3
185.13147	2.0
187.10909	1.3
187.14793	3.7
189.12552	0.9
189.16356	2.4
191.14203	0.8
193.11916	0.4
193.15674	0.3
195.11551	0.8
197.13048	1.5
199.11040	0.7
199.14642	1.5
201.12556	0.8
201.16246	1.1
203.14140	1.0
205.15793	0.8
205.21223	0.4
207.17223	0.9
209.13181	0.7
211.14626	1.3
213.12791	3.1
213.16164	1.5
215.14249	2.3
215.17822	0.5
217.15703	1.2
221.13029	0.7
223.14540	0.6
225.16171	0.5
226.23109	0.4
227.14316	2.2
227.17735	0.8
229.15654	1.5
229.19228	0.4
231.13840	1.7
231.17239	1.3
233.15318	2.8
237.16347	0.6
239.14154	0.5
239.17757	0.6
240.68657	0.3
241.15730	0.6
241.19244	0.5
243.17247	0.5
245.15266	0.6
249.14568	0.7
259.13156	0.8
263.12494	0.4
265.19247	0.4
307.20343	0.4
345.26065	0.4
353.28436	0.5
385.28748	1.1
393.31433	0.6
399.28897	0.6
403.29910	2.9
421.31036	4.8
431.29416	0.7
439.32138	2.3
449.25311	0.4
449.30194	1.8
450.07205	0.4
467.31573	13.5
477.25189	0.4
485.32611	100.0
486.32996	3.1
647.38055	21.9
648.38574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3788
Annotation	Abrusoside A
Peak:m/z	Relative Intensity
53.03876	0.5
53.99526	0.2
55.05408	1.2
56.93225	0.3
57.03329	0.8
57.03615	0.5
61.02819	1.2
64.66717	0.2
67.05376	1.3
69.03304	2.8
69.03717	0.6
69.06944	1.5
69.07345	0.4
71.04897	0.6
71.05228	0.3
71.51652	0.5
79.05370	1.4
81.03276	1.7
81.06921	3.6
83.04871	0.5
83.08503	0.7
83.08940	0.3
85.02770	6.0
85.03326	0.7
85.06418	0.4
86.09570	1.1
86.10083	0.5
87.04373	0.5
91.03857	0.5
91.05344	1.9
91.45705	0.3
93.06900	3.1
95.04838	0.8
95.08465	4.9
95.09127	0.5
97.02747	2.4
97.06472	0.3
97.10051	0.5
99.04371	0.7
105.06881	8.0
105.07660	0.7
107.04848	0.4
107.08443	4.2
107.09220	0.4
109.02720	0.9
109.06397	0.7
109.09993	2.1
111.07942	0.8
117.06853	0.8
119.04803	0.3
119.08421	8.5
121.06351	1.1
121.09977	3.7
123.04300	0.8
123.07959	0.6
123.11678	1.6
124.99882	0.4
125.05860	0.3
125.09534	0.5
127.03742	1.4
129.06940	0.5
131.08565	3.7
133.06345	0.5
133.10112	5.6
135.08044	1.5
135.11662	2.0
137.05881	0.3
137.09442	1.0
139.03738	0.4
139.11044	0.3
142.07639	0.5
143.08577	1.9
144.09079	0.4
145.04865	0.6
145.06355	0.4
145.10123	5.0
146.23100	0.3
147.04286	0.3
147.07936	0.6
147.11679	2.7
149.09468	0.8
149.13086	1.1
151.07491	0.4
153.08960	0.4
155.08360	0.8
157.10124	2.4
158.10878	1.9
158.42711	0.3
159.07906	1.1
159.11658	2.9
161.09615	1.8
161.13217	1.7
163.07384	0.5
163.11041	0.6
163.14828	1.6
167.08463	0.3
169.09979	0.9
170.10866	0.6
171.07936	0.6
171.11682	1.8
172.12381	0.4
173.09442	1.1
173.13251	14.0
175.10944	0.9
175.14818	6.3
177.05342	0.4
177.12587	0.5
177.16197	1.2
181.12099	0.3
182.10641	0.3
183.11485	0.9
184.07321	3.2
185.09518	0.8
185.13214	1.6
187.11034	1.0
187.14793	4.0
189.12560	1.1
189.16328	2.6
191.14195	0.7
193.15701	0.3
195.11649	0.6
197.13062	1.2
198.10312	0.4
199.11032	0.5
199.14793	1.7
201.12579	0.6
201.16237	0.8
203.14156	1.1
205.15732	0.8
207.11623	0.3
207.17287	0.6
209.13193	0.4
211.14661	0.9
213.12743	3.3
213.16338	1.3
215.14320	2.1
215.17816	0.4
217.15747	0.9
223.14723	0.4
225.12534	0.3
225.16374	0.3
227.12033	0.4
227.14273	2.2
227.17825	0.6
229.15878	1.6
229.19312	0.4
231.13876	1.8
231.17503	1.4
233.13301	0.4
233.15352	3.3
239.14165	0.7
239.17839	0.5
241.15796	0.5
243.17419	0.4
245.15125	0.4
249.14664	0.9
255.17447	0.4
265.15735	0.3
267.21014	0.4
269.18900	0.4
275.17838	0.6
277.18427	0.4
281.18896	0.3
285.18469	0.3
295.23834	0.4
309.21906	0.4
321.25479	0.3
353.28632	0.3
371.25912	0.4
375.30969	0.4
385.28802	0.8
393.31485	0.7
399.28967	0.5
403.29883	3.1
421.25989	0.5
421.31085	5.8
431.29471	0.7
439.32074	2.3
449.30563	1.9
467.31561	14.2
468.31631	0.7
485.32599	100.0
486.32935	4.0
647.37970	21.1
648.37799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05512	0.7
55.15546	0.3
57.09594	0.3
59.04997	17.3
67.05142	0.4
67.05504	7.7
68.99782	0.4
69.03429	2.9
69.07066	3.7
69.69858	0.8
69.70275	1.1
71.04986	0.4
74.51052	0.3
79.05482	3.3
81.03413	0.7
81.07044	3.7
83.04958	0.5
85.02879	0.4
91.05486	1.5
93.03379	0.4
93.07050	2.5
95.04964	2.5
95.08604	17.1
97.06525	6.5
99.08076	0.4
103.05419	0.4
105.07042	2.6
107.04974	1.7
107.08578	0.5
108.05706	0.6
109.02872	16.3
109.10152	17.8
111.00780	0.8
111.04417	0.6
117.06999	0.4
119.08582	7.0
119.74232	0.3
121.02842	0.7
121.06570	0.4
121.10133	10.5
122.07240	0.4
123.04418	0.7
123.08060	25.7
125.05973	1.6
127.03870	0.4
131.69102	0.4
135.04379	0.4
137.02332	3.3
137.09613	13.0
139.11150	2.1
141.09099	8.1
141.10135	0.2
143.18715	0.3
147.08040	2.2
149.02275	0.5
153.01788	3.4
155.10608	0.5
161.05986	0.3
163.03896	0.8
165.01836	1.5
165.09105	12.1
173.05956	0.4
181.65405	0.3
183.02890	0.6
183.04404	0.4
183.10155	18.9
184.10541	0.3
187.03841	0.3
201.05484	1.5
201.11215	1.0
229.04944	4.1
247.06134	0.6
257.04404	3.1
274.04724	1.0
285.03851	1.3
290.58112	0.3
303.04968	100.0
304.05298	2.2
315.05362	0.4
323.95355	0.3
327.14279	0.7
345.06027	1.5
345.15393	1.7
411.07251	0.4
441.64957	0.4
471.09195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03958	1.0
55.01865	0.6
57.03441	0.3
64.42428	0.2
65.03629	0.3
65.03942	4.1
67.05495	1.5
68.99783	0.3
69.03426	2.3
69.58015	0.5
69.58425	0.8
71.04980	0.4
73.02888	0.2
75.54321	0.2
79.01808	0.3
79.05501	0.4
81.03411	3.6
82.00536	0.3
82.04199	1.6
85.02904	4.0
93.03407	1.5
95.04955	1.3
97.02923	1.4
97.06531	1.1
98.21508	0.3
99.04443	0.5
105.04531	0.2
107.04974	0.2
108.02103	1.0
109.02885	1.7
110.03677	2.4
111.00795	0.3
111.04456	1.0
121.02811	0.5
123.00770	0.3
123.04432	1.3
125.02327	0.3
125.05973	1.4
127.03899	0.9
137.02318	1.3
137.05936	0.8
138.03116	1.3
139.03891	0.6
140.04669	4.4
142.02615	2.1
143.03360	0.3
147.04497	0.3
149.02281	0.2
153.01834	5.3
153.05447	0.7
155.07039	1.8
156.45508	0.2
161.05984	0.4
163.03960	0.4
165.01842	0.6
166.02544	0.3
167.03445	0.4
171.06537	3.6
173.06012	0.3
175.03903	0.3
181.04950	100.0
182.05257	1.1
183.02800	0.3
184.03665	0.3
199.05995	3.6
201.05431	0.7
207.06502	0.5
229.04964	1.3
257.04364	1.3
274.04575	0.3
283.08240	0.2
285.03949	0.5
302.04272	0.2
303.04984	30.3
304.05353	0.6
325.09192	4.1
327.04907	0.8
343.10178	2.2
345.05859	0.3
388.40140	0.3
483.08829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.0
54.24546	1.0
55.01871	7.3
55.05507	31.7
57.00049	1.1
57.03432	10.5
57.07049	3.2
63.37795	1.0
65.03921	3.8
65.07631	1.0
67.05499	76.6
68.05827	1.9
69.03410	2.8
69.07059	31.2
69.46298	9.6
71.04983	4.8
71.08624	1.8
71.74046	1.1
73.06538	1.1
79.05486	58.0
81.03397	3.7
81.07048	100.0
82.07383	2.3
83.04995	7.2
83.08607	14.2
85.02909	1.7
85.06536	5.5
91.05473	73.7
92.05801	1.4
93.07033	67.2
95.04952	14.8
95.08598	51.4
96.08919	1.4
97.06527	10.7
97.10162	8.2
99.08053	4.8
103.05436	2.8
105.04514	1.8
105.07022	72.1
106.07380	1.6
107.04955	7.1
107.08582	41.8
109.06503	13.3
109.10139	31.0
111.08050	4.6
115.05416	3.8
117.07012	20.6
119.08572	70.0
120.08861	1.1
121.06482	5.2
121.10133	30.9
123.08060	7.1
123.11687	9.9
125.09595	4.4
128.06221	3.2
129.05502	1.8
129.06996	13.7
130.07790	1.3
131.08562	31.9
133.06485	2.0
133.09122	2.5
133.10120	43.9
135.08005	5.9
135.10750	1.1
135.11694	18.2
137.09624	6.3
137.13200	2.6
139.11150	4.1
141.06995	3.0
142.07677	2.6
143.08553	11.2
144.09282	1.4
145.06389	1.0
145.10109	30.2
147.08029	3.7
147.11678	46.4
149.09619	7.3
149.13226	14.8
151.11115	3.6
153.12730	1.1
155.08562	5.9
157.10132	15.2
159.07979	1.5
159.11685	21.1
161.09648	3.6
161.12010	2.3
161.13249	26.1
163.11224	7.3
163.14806	4.8
165.12737	6.7
167.08536	2.2
169.10074	6.4
171.10297	1.8
171.11679	14.5
173.11766	2.1
173.13216	15.5
175.11125	3.9
175.14784	12.9
177.12761	4.8
179.14259	2.8
181.10121	2.5
183.11681	6.8
183.13419	1.1
185.13223	12.6
187.11147	1.6
187.14844	5.6
187.16313	1.1
189.11131	2.6
189.12679	2.5
189.16351	2.6
193.12245	2.4
195.11720	2.6
195.13640	1.8
197.13237	4.5
199.14767	8.7
201.12663	1.3
201.16324	2.4
203.14301	1.8
203.17918	2.7
207.11702	1.3
207.13847	1.3
209.13252	2.3
211.14874	2.8
213.16362	4.4
215.14401	1.3
215.17920	4.1
217.19363	2.1
217.50459	1.2
227.12700	1.9
229.19322	2.9
231.21036	5.3
237.16490	2.0
237.18602	1.6
239.17871	4.7
241.19496	26.4
243.21114	2.1
247.20518	2.7
251.17870	1.3
257.19040	11.2
259.20547	48.4
260.21210	1.3
261.22153	3.1
267.15781	1.2
271.20435	2.0
273.18433	4.3
274.99112	1.3
275.20026	46.5
276.20331	2.9
277.21484	4.3
289.21484	1.8
291.19528	4.4
293.20966	7.9
297.22058	1.4
315.23044	5.1
333.24200	44.5
334.24371	2.6
335.25867	6.6
347.22397	1.8
348.37701	1.4
349.23657	10.9
351.25165	6.1
365.23422	1.5
367.24744	26.3
407.29208	1.5
437.72308	1.2
450.44687	1.2
453.33536	1.8
471.34756	1.8
501.35239	1.6
513.36041	1.6
515.37549	4.2
527.37207	7.2
533.39929	4.9
545.38397	15.5
551.40680	4.5
569.41663	2.0
597.44299	1.3
607.43384	13.1
625.34723	1.5
625.44574	20.8
626.44427	1.8
643.09760	4.3
643.45410	9.5
644.11224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66083	1.7
53.03935	5.2
55.01869	11.7
55.05507	36.4
57.03438	13.2
57.07064	3.4
59.79360	1.5
60.65746	1.6
65.03929	3.9
67.05503	100.0
69.03406	7.6
69.07067	37.0
71.04971	7.7
71.08632	2.2
71.51646	3.0
79.05492	69.8
81.03391	7.2
81.07052	97.1
81.34282	1.8
82.57243	1.7
83.04958	8.4
83.08208	2.1
83.08620	18.2
85.02904	2.5
85.06541	4.5
91.05476	62.9
93.07037	68.3
95.04964	14.7
95.07983	3.1
95.08601	57.7
97.06519	11.5
97.10190	10.5
99.08092	5.0
103.05518	2.0
105.07027	76.4
107.04935	7.2
107.08593	44.2
109.06514	10.5
109.10146	37.8
111.04423	2.5
111.08064	7.8
115.05420	3.4
117.07024	20.1
119.08574	63.7
121.06561	4.9
121.10146	36.0
123.08067	6.8
123.11736	10.4
125.09614	8.8
128.06224	3.0
129.05417	2.7
129.06984	12.5
131.08557	30.0
133.06485	2.0
133.10144	45.4
135.08034	8.5
135.11684	17.9
137.09575	6.8
137.13318	2.6
139.11209	4.1
141.06966	3.5
143.08519	12.0
145.06445	2.9
145.10129	25.7
147.08084	3.3
147.11667	42.5
149.09607	8.5
149.13243	13.8
151.11177	5.5
152.06009	1.8
155.08534	5.9
157.10100	13.9
159.07971	3.3
159.11676	22.4
161.09703	3.4
161.13252	26.7
163.11145	8.3
163.14767	4.0
165.12717	6.8
166.34044	2.0
167.08472	3.2
169.10123	6.5
171.11679	16.3
173.11707	5.6
173.13226	14.9
175.11160	4.6
175.14809	16.6
177.12767	5.0
177.16356	2.0
179.14407	3.6
183.11671	5.6
185.13243	11.8
187.11252	2.5
187.14806	7.0
189.11182	3.4
189.12709	3.9
189.16393	3.2
193.12257	2.7
195.11661	3.3
197.13275	3.3
199.14781	7.9
201.12691	2.2
201.16371	2.7
203.12717	1.8
207.13736	2.9
213.12578	1.7
213.16446	4.6
215.17838	3.0
225.16426	2.1
226.90364	1.8
227.12500	2.6
229.14288	2.5
229.19493	3.1
231.17363	1.8
231.20988	4.2
239.17845	3.9
241.19534	24.1
242.19739	2.0
245.79321	2.0
257.19058	10.5
259.20560	47.2
261.22125	2.5
273.18497	4.4
275.20053	47.1
276.20416	3.4
277.21552	5.9
293.21011	6.3
315.23019	5.2
317.24472	2.9
333.20490	2.6
333.24207	38.9
335.25970	4.3
349.23630	8.4
351.25198	5.2
365.23218	3.8
367.24780	36.1
515.37549	4.5
527.36774	6.6
533.39655	5.1
545.38489	10.7
551.40680	6.8
607.43597	9.7
625.36188	3.5
625.44739	21.5
643.45563	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66083	1.7
53.03935	5.2
55.01869	11.7
55.05507	36.4
57.03438	13.2
57.07064	3.4
59.79360	1.5
60.65746	1.6
65.03929	3.9
67.05503	100.0
69.03406	7.6
69.07067	37.0
71.04971	7.7
71.08632	2.2
71.51646	3.0
79.05492	69.8
81.03391	7.2
81.07052	97.1
81.34282	1.8
82.57243	1.7
83.04958	8.4
83.08208	2.1
83.08620	18.2
85.02904	2.5
85.06541	4.5
91.05476	62.9
93.07037	68.3
95.04964	14.7
95.07983	3.1
95.08601	57.7
97.06519	11.5
97.10190	10.5
99.08092	5.0
103.05518	2.0
105.07027	76.4
107.04935	7.2
107.08593	44.2
109.06514	10.5
109.10146	37.8
111.04423	2.5
111.08064	7.8
115.05420	3.4
117.07024	20.1
119.08574	63.7
121.06561	4.9
121.10146	36.0
123.08067	6.8
123.11736	10.4
125.09614	8.8
128.06224	3.0
129.05417	2.7
129.06984	12.5
131.08557	30.0
133.06485	2.0
133.10144	45.4
135.08034	8.5
135.11684	17.9
137.09575	6.8
137.13318	2.6
139.11209	4.1
141.06966	3.5
143.08519	12.0
145.06445	2.9
145.10129	25.7
147.08084	3.3
147.11667	42.5
149.09607	8.5
149.13243	13.8
151.11177	5.5
152.06009	1.8
155.08534	5.9
157.10100	13.9
159.07971	3.3
159.11676	22.4
161.09703	3.4
161.13252	26.7
163.11145	8.3
163.14767	4.0
165.12717	6.8
166.34044	2.0
167.08472	3.2
169.10123	6.5
171.11679	16.3
173.11707	5.6
173.13226	14.9
175.11160	4.6
175.14809	16.6
177.12767	5.0
177.16356	2.0
179.14407	3.6
183.11671	5.6
185.13243	11.8
187.11252	2.5
187.14806	7.0
189.11182	3.4
189.12709	3.9
189.16393	3.2
193.12257	2.7
195.11661	3.3
197.13275	3.3
199.14781	7.9
201.12691	2.2
201.16371	2.7
203.12717	1.8
207.13736	2.9
213.12578	1.7
213.16446	4.6
215.17838	3.0
225.16426	2.1
226.90364	1.8
227.12500	2.6
229.14288	2.5
229.19493	3.1
231.17363	1.8
231.20988	4.2
239.17845	3.9
241.19534	24.1
242.19739	2.0
245.79321	2.0
257.19058	10.5
259.20560	47.2
261.22125	2.5
273.18497	4.4
275.20053	47.1
276.20416	3.4
277.21552	5.9
293.21011	6.3
315.23019	5.2
317.24472	2.9
333.20490	2.6
333.24207	38.9
335.25970	4.3
349.23630	8.4
351.25198	5.2
365.23218	3.8
367.24780	36.1
515.37549	4.5
527.36774	6.6
533.39655	5.1
545.38489	10.7
551.40680	6.8
607.43597	9.7
625.36188	3.5
625.44739	21.5
643.45563	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07577	1.3
53.03949	7.4
55.01872	9.9
55.05277	2.3
55.05516	28.0
57.03444	10.0
57.07061	4.2
65.03927	3.7
66.77162	1.2
67.05506	66.8
68.74818	1.4
69.03412	4.1
69.07066	25.8
70.76601	3.0
71.04979	7.4
71.08618	4.4
77.03912	1.3
79.05495	62.3
79.29465	1.5
81.03391	4.4
81.07056	100.0
82.07372	2.2
83.04975	9.9
83.08614	18.5
85.06533	5.1
91.05484	52.4
92.05804	1.4
93.07044	66.7
95.04968	12.2
95.08605	48.3
97.06534	14.1
97.10165	7.6
99.08097	7.5
103.05436	2.0
105.04535	2.0
105.07035	59.9
107.04974	9.6
107.07887	2.1
107.08600	38.8
109.06527	10.4
109.10166	18.6
111.08079	6.1
115.05492	1.9
117.07018	21.6
119.08585	52.6
120.08922	1.7
121.06487	5.2
121.10149	28.1
123.08065	6.4
123.11682	7.9
125.09628	5.3
128.06203	1.8
129.06996	12.4
130.07745	2.0
131.07610	1.9
131.08566	31.3
133.06470	3.3
133.09125	2.3
133.10127	39.0
135.08052	4.4
135.11699	19.8
137.09612	5.2
137.13283	1.8
139.07452	1.3
139.11221	2.7
141.06946	4.1
142.07756	2.9
143.08574	10.9
145.09065	2.4
145.10120	26.0
147.08058	3.5
147.11690	35.4
149.09647	10.1
149.13266	10.1
151.11160	6.6
155.08583	6.2
156.09409	1.6
157.10144	13.1
159.11720	21.7
161.09598	4.9
161.13239	20.6
163.11176	9.0
163.14848	3.2
165.12755	4.3
169.10135	7.3
171.10255	2.1
171.11685	13.9
173.09717	1.9
173.13251	13.0
175.11197	5.2
175.14865	9.8
177.12715	4.4
179.08594	1.4
179.14325	1.5
181.10165	2.9
183.11703	5.2
185.13261	10.8
187.11205	1.3
187.14822	6.0
189.11267	1.5
189.12761	3.4
191.14265	1.8
193.10123	1.9
193.12227	2.5
195.11688	2.5
195.13721	2.2
197.13300	6.1
199.14874	6.5
201.16388	3.7
203.14247	2.6
203.17902	1.4
209.13309	2.1
211.14841	2.8
213.16383	2.7
215.17998	2.9
217.19456	2.3
219.17444	1.7
227.17996	2.0
229.19547	3.3
231.21088	3.5
233.15276	1.5
235.16916	2.0
237.16422	1.6
239.17900	4.9
241.19536	19.1
242.19873	1.5
243.21075	2.0
245.18779	1.6
247.20552	1.8
257.19009	12.1
259.20587	28.7
260.20755	1.9
261.22122	3.7
263.20044	4.8
263.39441	1.3
267.15979	2.4
269.17514	1.8
271.20496	1.4
273.18430	5.2
275.20078	36.6
276.20471	3.7
277.21829	8.4
278.21851	1.4
289.21579	5.7
291.19479	3.1
293.21072	5.1
315.23044	2.9
327.22861	1.3
333.24243	30.0
334.24310	1.8
335.25745	6.0
337.23727	2.8
347.22095	1.4
349.23700	9.3
351.25232	4.8
363.25656	1.9
365.23062	2.9
367.24780	13.3
405.25113	1.4
501.35696	3.5
513.35675	3.5
515.37494	4.3
517.38885	1.8
527.37219	5.6
531.36249	1.9
533.39709	4.7
545.38635	9.2
546.38794	2.1
551.40411	4.1
595.43561	2.2
607.43396	11.0
625.44586	32.0
626.44611	2.6
643.45319	9.8
644.45166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01873	13.8
55.05510	37.1
57.03429	11.7
57.07066	5.3
64.83264	1.3
65.03941	4.1
65.56493	1.3
67.05503	73.5
68.05821	2.1
69.03419	2.8
69.07068	30.6
71.04982	6.6
71.08649	2.7
76.47092	1.3
79.05489	70.7
81.03407	3.7
81.07053	100.0
82.07388	1.7
83.04974	11.4
83.08616	19.0
85.06528	5.9
91.05476	68.5
93.07037	62.8
95.04967	13.3
95.08604	55.4
97.06528	12.4
97.10168	4.9
98.21526	3.5
99.08077	5.0
103.05486	2.5
105.04540	2.6
105.07026	67.7
107.04961	9.9
107.08584	45.9
107.09313	2.5
109.06516	12.9
109.10157	21.4
111.08067	7.2
115.05458	3.4
117.07017	25.3
119.08574	56.1
121.06499	6.3
121.10132	33.3
123.08082	7.6
123.11729	8.8
125.09641	4.8
128.06212	4.2
129.05544	2.0
129.07004	14.6
131.08553	28.7
133.06500	2.2
133.10110	43.5
135.08040	7.6
135.11700	22.3
137.09616	4.9
137.13292	2.5
141.06970	4.6
142.07764	2.0
143.08571	12.0
145.10121	31.4
147.08041	5.7
147.11685	39.9
149.09634	9.3
149.13251	12.8
151.11200	4.1
155.08543	5.4
157.10106	13.3
159.08072	2.2
159.11690	21.0
161.09607	2.3
161.13251	22.2
163.11176	10.6
163.14832	4.8
165.12723	3.9
169.10062	7.9
171.11656	16.9
173.11920	2.3
173.13268	15.9
175.11220	4.7
175.14815	12.9
177.12726	3.1
179.08607	1.5
179.14342	2.1
181.10040	3.0
183.11720	7.6
185.13252	11.0
187.11116	2.6
187.14841	6.4
189.12738	2.1
191.14276	2.4
193.12244	2.5
195.11694	2.2
197.13281	5.7
199.11227	1.9
199.14803	5.6
201.16400	2.9
203.14258	2.2
209.13312	2.9
211.14828	3.4
213.16336	3.0
215.17886	2.7
217.15891	1.5
217.19525	2.1
219.17542	1.5
223.14778	1.9
227.12669	2.0
227.17908	2.0
229.19482	3.1
229.39011	1.5
231.21106	4.1
239.17957	8.5
241.19548	17.8
243.21078	2.4
247.20583	2.3
253.14317	2.5
257.19104	9.8
259.20563	35.5
261.22208	3.5
263.20230	3.5
267.15845	2.9
269.17493	2.3
271.20499	2.1
273.18494	6.1
275.20062	37.0
276.20395	3.0
277.21765	7.3
281.85104	2.1
283.20551	1.9
289.21579	5.5
291.19601	4.2
293.21109	7.0
315.23105	4.6
326.68939	1.6
331.22467	1.8
333.24231	29.5
335.25812	5.7
337.23859	2.6
349.23630	11.9
351.25269	5.7
363.24985	1.6
365.23212	2.5
367.24771	11.6
487.34128	1.9
501.35471	3.6
503.37131	2.0
513.35468	2.3
515.37921	5.3
527.37164	5.5
531.36652	2.2
533.39746	4.5
543.37305	1.8
545.38208	5.9
551.41187	6.8
567.40594	2.6
595.43530	2.5
597.45032	2.1
607.43665	13.9
625.44556	31.4
626.44226	2.4
643.45465	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	643.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01871	18.9
55.05508	43.6
57.03436	14.0
57.07067	4.0
59.05005	1.7
65.03931	5.6
65.48650	1.7
67.05503	98.1
68.05830	2.9
69.03428	4.6
69.07064	44.9
70.72145	5.7
71.04994	5.6
71.08621	8.8
73.52649	1.7
79.05489	71.0
80.05808	2.0
81.03411	5.7
81.07052	100.0
82.07401	2.9
83.04980	15.1
83.08620	22.4
85.06538	6.1
88.09446	1.7
91.05477	63.8
91.06032	3.8
92.05801	2.4
93.07043	72.8
94.07393	2.2
95.04975	15.6
95.08601	62.3
96.08875	1.8
97.06528	18.6
97.10166	17.9
99.08073	8.5
103.05473	3.2
105.07028	60.4
106.07315	2.4
107.04955	6.0
107.08583	47.9
107.09306	2.9
109.06525	9.9
109.10138	34.8
109.10845	2.6
111.08075	7.6
115.05435	3.6
117.07014	29.3
117.37277	1.9
119.08576	47.7
120.08903	3.9
121.06499	7.1
121.10141	29.7
123.08058	6.6
123.11711	9.7
125.09653	12.9
128.06197	3.6
129.06999	18.4
130.07748	2.6
131.04924	2.5
131.08557	37.9
133.06459	2.6
133.10124	38.3
135.08089	9.0
135.11674	23.3
137.09624	5.0
139.11201	3.3
141.06967	6.8
142.07771	3.6
143.08568	19.1
145.10117	34.3
147.08078	5.6
147.11676	27.1
149.09608	8.5
149.13284	11.9
151.11166	6.2
154.07541	1.8
155.08546	8.2
156.09154	1.9
157.10109	20.0
159.11697	25.4
161.09622	2.3
161.13271	16.0
163.11168	9.9
163.14738	3.2
165.12721	3.0
169.10129	12.6
169.12132	2.1
171.11664	15.8
173.09666	2.7
173.11855	3.4
173.13278	17.3
175.11227	5.2
175.14835	10.2
177.12784	4.5
179.10692	1.9
179.14337	6.1
181.10168	4.6
183.11661	9.0
185.13252	12.2
187.11156	2.9
187.14847	6.0
189.11177	4.7
189.12749	3.6
193.12169	2.1
195.11716	5.0
197.13266	8.3
199.14891	10.0
201.16357	4.2
209.13237	2.3
211.14867	4.6
213.14636	2.3
213.16432	4.0
215.14391	3.4
217.15840	2.6
223.14951	2.7
225.16299	3.0
227.12755	6.9
227.17863	3.3
229.14320	5.6
229.19518	3.0
231.21095	2.7
237.16452	2.3
239.17924	2.8
241.19507	12.6
243.15851	2.6
243.21222	2.2
257.19006	4.4
259.20560	22.4
261.22226	7.1
263.20163	3.3
269.17511	2.9
271.20502	2.2
273.18539	4.4
275.20129	24.7
275.22913	3.2
277.21609	14.2
285.21979	2.4
289.21582	2.8
291.19528	12.5
293.21057	11.1
317.24664	2.0
323.23621	2.8
333.24359	17.2
335.25803	7.7
337.23734	2.5
349.23792	7.6
351.25220	5.4
365.23236	5.4
367.24609	9.0
379.29877	3.4
383.29489	2.9
397.31055	5.2
421.31049	2.2
470.14499	2.3
471.35132	2.3
483.34882	2.8
501.35495	2.4
513.35907	5.2
515.37939	3.3
527.37140	8.0
531.36707	5.2
533.39740	6.9
543.35938	3.1
545.38281	30.0
546.38971	4.2
551.40875	5.6
555.16565	1.8
567.39960	2.5
569.41895	3.1
607.43396	17.4
625.44507	48.5
626.44476	3.6
643.45587	24.9
644.45593	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	643.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29551	1.3
53.03934	4.8
55.01865	8.1
55.05510	30.2
57.03437	7.1
57.07065	5.4
59.04982	2.4
62.65773	1.5
65.03932	4.0
67.05502	60.7
68.05832	2.9
69.03424	3.0
69.07062	24.8
70.07397	2.2
71.04990	5.5
71.08633	3.6
71.51871	2.2
79.05492	40.9
80.05818	2.5
81.03412	9.0
81.07053	61.3
82.07372	3.7
83.04979	5.8
83.08614	12.3
85.02917	2.3
85.06516	3.0
85.10174	1.4
86.02428	1.4
89.73830	1.4
91.05479	43.0
92.05806	3.2
93.07047	44.2
94.07386	2.1
95.01353	1.7
95.04964	12.2
95.08606	38.9
96.08906	1.8
97.06541	10.3
97.10181	8.1
98.98477	6.6
99.08090	4.2
102.15405	1.2
103.05460	2.3
105.07030	46.6
106.07365	4.1
107.04951	5.8
107.08586	26.2
108.08862	1.7
109.06515	5.4
109.10149	20.3
111.08099	4.1
113.09665	1.9
115.05443	2.2
117.07018	18.8
119.07704	2.5
119.08573	38.5
120.08897	4.0
121.06510	5.2
121.10131	20.6
123.08112	3.6
123.11709	4.6
125.09628	5.6
125.64545	1.4
127.07597	1.5
128.06235	3.7
129.07024	11.9
131.08568	31.1
132.08893	1.9
132.58589	1.4
133.06514	1.5
133.10138	22.7
134.10448	1.5
135.08055	4.5
135.11713	9.7
137.09613	4.9
141.06969	4.1
142.07774	2.5
143.08569	14.4
145.10120	27.1
147.08020	2.8
147.11684	18.5
149.09572	7.4
149.13229	5.0
150.10045	1.3
151.11192	4.2
153.09106	1.9
155.01036	2.0
155.08553	8.9
157.10127	15.7
159.08098	2.5
159.11703	14.0
160.12073	2.0
161.09616	2.2
161.13269	11.3
163.11197	4.6
163.14812	2.0
165.12807	1.6
167.07156	1.7
167.08543	2.8
169.10172	10.5
171.11685	13.5
173.09627	2.2
173.11885	2.4
173.13278	9.5
175.11176	2.6
175.14835	5.9
177.12787	2.6
179.14355	2.7
181.04979	1.5
181.10104	5.0
183.11690	10.2
185.13223	8.6
187.11089	1.7
187.14844	5.2
189.11174	3.3
189.12688	2.2
189.16403	2.2
193.12274	1.9
195.11748	3.7
197.13251	5.4
199.14836	6.2
201.12752	1.5
201.16370	2.2
207.11560	1.9
209.13321	3.7
210.55891	1.4
211.13101	1.9
211.14870	3.5
213.16457	1.7
223.14964	1.9
225.16454	2.2
227.12697	2.6
227.17867	2.0
239.18036	2.4
241.19504	6.7
257.18878	3.8
258.19312	2.3
259.20654	9.3
261.22202	1.9
267.15894	2.4
268.33438	1.5
275.20084	19.4
276.20456	5.0
277.21341	5.5
291.19504	2.5
293.21075	1.9
301.25095	2.0
311.20416	1.7
315.23508	1.9
317.24817	2.3
333.24319	7.4
337.24979	1.6
349.23944	3.4
350.23987	3.1
355.26306	2.2
367.24780	4.7
395.48627	1.7
407.33377	2.3
417.31650	3.0
425.33984	2.7
435.32587	8.7
445.29688	2.0
453.33444	3.9
471.34406	5.6
489.35657	1.9
497.36459	2.8
499.38156	2.4
501.35541	3.0
509.36118	6.0
527.37354	46.2
545.38409	100.0
546.38330	3.7
607.33771	2.4
607.42871	3.2
615.10931	2.3
625.35413	2.5
625.43860	11.1
643.09961	13.9
643.45715	9.3
644.10071	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	643.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29551	1.3
53.03934	4.8
55.01865	8.1
55.05510	30.2
57.03437	7.1
57.07065	5.4
59.04982	2.4
62.65773	1.5
65.03932	4.0
67.05502	60.7
68.05832	2.9
69.03424	3.0
69.07062	24.8
70.07397	2.2
71.04990	5.5
71.08633	3.6
71.51871	2.2
79.05492	40.9
80.05818	2.5
81.03412	9.0
81.07053	61.3
82.07372	3.7
83.04979	5.8
83.08614	12.3
85.02917	2.3
85.06516	3.0
85.10174	1.4
86.02428	1.4
89.73830	1.4
91.05479	43.0
92.05806	3.2
93.07047	44.2
94.07386	2.1
95.01353	1.7
95.04964	12.2
95.08606	38.9
96.08906	1.8
97.06541	10.3
97.10181	8.1
98.98477	6.6
99.08090	4.2
102.15405	1.2
103.05460	2.3
105.07030	46.6
106.07365	4.1
107.04951	5.8
107.08586	26.2
108.08862	1.7
109.06515	5.4
109.10149	20.3
111.08099	4.1
113.09665	1.9
115.05443	2.2
117.07018	18.8
119.07704	2.5
119.08573	38.5
120.08897	4.0
121.06510	5.2
121.10131	20.6
123.08112	3.6
123.11709	4.6
125.09628	5.6
125.64545	1.4
127.07597	1.5
128.06235	3.7
129.07024	11.9
131.08568	31.1
132.08893	1.9
132.58589	1.4
133.06514	1.5
133.10138	22.7
134.10448	1.5
135.08055	4.5
135.11713	9.7
137.09613	4.9
141.06969	4.1
142.07774	2.5
143.08569	14.4
145.10120	27.1
147.08020	2.8
147.11684	18.5
149.09572	7.4
149.13229	5.0
150.10045	1.3
151.11192	4.2
153.09106	1.9
155.01036	2.0
155.08553	8.9
157.10127	15.7
159.08098	2.5
159.11703	14.0
160.12073	2.0
161.09616	2.2
161.13269	11.3
163.11197	4.6
163.14812	2.0
165.12807	1.6
167.07156	1.7
167.08543	2.8
169.10172	10.5
171.11685	13.5
173.09627	2.2
173.11885	2.4
173.13278	9.5
175.11176	2.6
175.14835	5.9
177.12787	2.6
179.14355	2.7
181.04979	1.5
181.10104	5.0
183.11690	10.2
185.13223	8.6
187.11089	1.7
187.14844	5.2
189.11174	3.3
189.12688	2.2
189.16403	2.2
193.12274	1.9
195.11748	3.7
197.13251	5.4
199.14836	6.2
201.12752	1.5
201.16370	2.2
207.11560	1.9
209.13321	3.7
210.55891	1.4
211.13101	1.9
211.14870	3.5
213.16457	1.7
223.14964	1.9
225.16454	2.2
227.12697	2.6
227.17867	2.0
239.18036	2.4
241.19504	6.7
257.18878	3.8
258.19312	2.3
259.20654	9.3
261.22202	1.9
267.15894	2.4
268.33438	1.5
275.20084	19.4
276.20456	5.0
277.21341	5.5
291.19504	2.5
293.21075	1.9
301.25095	2.0
311.20416	1.7
315.23508	1.9
317.24817	2.3
333.24319	7.4
337.24979	1.6
349.23944	3.4
350.23987	3.1
355.26306	2.2
367.24780	4.7
395.48627	1.7
407.33377	2.3
417.31650	3.0
425.33984	2.7
435.32587	8.7
445.29688	2.0
453.33444	3.9
471.34406	5.6
489.35657	1.9
497.36459	2.8
499.38156	2.4
501.35541	3.0
509.36118	6.0
527.37354	46.2
545.38409	100.0
546.38330	3.7
607.33771	2.4
607.42871	3.2
615.10931	2.3
625.35413	2.5
625.43860	11.1
643.09961	13.9
643.45715	9.3
644.10071	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	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.4
55.05463	1.2
66.23909	0.3
66.99717	0.4
67.05497	2.8
69.07028	1.2
70.57224	1.0
79.05436	1.5
81.03376	0.4
81.07047	3.0
83.08584	0.8
90.85745	0.3
91.05483	2.9
93.07031	2.1
94.07325	0.4
95.04938	0.7
95.08556	1.6
97.06506	0.7
97.10165	0.4
98.20810	0.5
105.07030	1.9
107.04868	0.4
107.08547	1.6
109.06474	0.5
109.10084	1.3
117.06963	1.0
119.08599	1.7
121.10078	0.7
129.06969	0.5
131.08493	1.1
133.10051	1.0
143.08496	0.5
145.10074	1.0
147.11679	0.7
161.13187	0.5
171.11580	0.5
185.13326	0.3
241.19472	0.7
259.20306	0.5
275.20148	1.0
277.21609	0.7
291.19492	0.4
333.24072	0.6
367.24759	0.4
396.12143	1.1
397.13065	1.8
398.13898	0.6
409.13159	0.6
410.13702	2.6
411.14520	5.9
412.15302	3.9
413.16003	2.6
422.13605	0.5
423.10016	0.5
423.14740	1.3
424.11176	1.6
424.15405	2.4
425.16196	12.9
426.16937	7.2
427.17767	2.0
428.18521	1.4
435.14401	0.4
437.11603	0.7
437.16650	0.9
438.12280	3.2
439.13574	13.9
440.18997	4.8
441.19263	35.4
442.19193	1.1
451.13910	0.7
452.14185	4.1
453.15265	15.1
454.15991	5.1
455.21420	0.6
457.15277	1.0
459.20450	0.5
463.14166	0.7
465.15765	0.7
466.12073	0.5
466.17325	0.7
467.17148	24.9
468.17877	13.7
469.18869	11.9
470.18878	0.6
471.16830	1.0
480.17715	0.6
481.14777	13.6
482.15115	2.6
483.16119	0.6
485.18292	1.2
494.17670	0.6
495.15750	2.9
496.17209	11.4
497.18137	2.4
498.18817	0.8
499.19345	1.4
499.49289	0.4
508.19412	0.8
509.18369	2.3
510.18823	0.5
512.20386	1.4
514.22528	2.7
522.17792	0.9
523.19708	1.8
526.18982	0.5
527.23517	3.2
528.23346	0.7
537.18652	0.5
540.19873	0.6
542.21533	0.8
551.19397	0.4
555.22388	31.1
556.22662	1.4
568.19110	0.6
569.21246	0.4
583.21869	100.0
584.22119	5.4
586.21106	0.5
587.24829	1.8
611.21478	2.0
614.23859	0.8
615.24463	13.2
616.24603	0.5
617.50067	0.4
625.44470	1.1
643.23907	58.1
643.45679	1.4
644.24457	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	643.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01841	2.3
55.05476	1.0
65.03937	6.2
66.04693	0.6
67.05495	2.9
68.99784	0.8
69.03391	2.6
69.07043	1.7
69.48546	4.2
71.01321	1.3
71.04961	0.9
77.03890	0.9
78.04685	1.3
78.51142	0.5
79.05489	6.9
81.02993	0.6
81.03405	6.0
81.07061	3.5
82.04168	2.4
83.04963	1.0
85.02904	5.4
85.06525	1.0
86.92442	0.6
91.05477	6.7
93.03359	1.8
93.07039	4.4
94.04174	0.8
94.31835	0.6
95.04963	5.9
95.08573	2.4
97.02859	0.8
97.06491	2.1
98.21548	0.5
101.06032	0.7
102.04723	0.6
103.04809	0.9
103.05459	18.0
105.03346	2.7
105.07037	7.5
106.04157	1.4
107.04321	0.7
107.04952	10.3
107.08560	1.9
108.02077	0.6
109.02894	1.0
109.06497	3.6
109.10140	2.9
110.03654	3.0
111.04457	3.8
115.05457	5.9
117.07011	5.3
118.04160	4.5
119.04925	3.0
119.08534	2.5
120.05705	1.1
121.02914	0.7
121.04074	0.6
121.06483	2.2
121.10175	3.1
122.03657	1.4
123.04438	6.3
123.08068	0.7
123.11629	0.8
124.05171	1.9
124.07537	0.7
125.05997	5.9
127.03899	1.7
127.05472	0.9
129.06970	2.0
130.04140	1.7
131.04919	16.5
131.08521	1.8
133.02870	4.1
133.06474	7.9
133.10086	1.3
134.03612	1.4
135.04391	1.2
135.08035	2.3
135.11684	0.9
136.05186	1.0
137.05963	8.0
138.03166	1.3
139.03841	1.0
140.04640	1.3
141.06967	1.2
142.02596	2.1
143.04889	1.6
144.05675	1.7
145.06474	6.7
145.10115	0.9
146.03622	1.0
147.04352	3.1
147.08008	1.7
148.05177	11.2
149.05975	2.7
149.09604	5.5
149.13235	0.6
151.03903	3.9
151.07515	3.2
152.04674	1.7
153.05458	5.7
153.06683	0.9
155.04938	0.8
155.06006	1.8
155.07024	2.2
157.06456	1.4
159.04352	0.9
159.08043	2.4
159.11607	0.7
160.05194	1.5
161.05963	8.4
163.03873	1.0
163.07541	18.9
163.11221	0.6
165.05453	6.7
165.09103	0.8
166.06239	1.2
167.07030	64.7
171.04388	0.8
171.06529	3.6
173.05966	8.7
174.06667	0.9
175.03920	2.3
175.07504	3.3
176.04643	2.4
177.05554	3.7
177.38213	0.6
179.07097	1.4
180.07758	2.3
181.04942	100.0
183.06639	1.1
185.05997	1.2
187.07520	4.1
189.05466	1.3
189.69089	0.7
190.06306	1.4
191.07022	88.3
192.07542	1.0
193.04939	4.5
193.08684	3.1
193.10085	0.7
195.06519	3.9
195.08020	0.7
197.08121	1.3
201.05463	1.1
203.06923	2.8
204.06590	1.6
205.08548	5.0
207.06458	6.3
207.08000	0.7
207.10237	2.6
208.07234	5.0
209.08080	2.6
217.08568	3.6
218.07408	0.8
219.10109	6.7
221.08087	1.3
223.09654	0.8
225.05463	0.6
225.07529	13.5
225.09557	1.0
226.08336	2.7
229.48303	0.6
231.06526	0.9
233.08023	7.3
234.06767	0.8
235.07487	2.6
235.09702	6.2
236.08217	0.7
239.06903	0.6
245.08049	1.3
247.07468	1.0
247.09732	0.8
257.08038	0.8
263.06586	1.3
263.09164	16.2
265.08569	0.8
267.10144	3.0
269.08237	0.9
277.08817	0.8
279.10178	0.6
281.08072	1.0
293.08109	1.6
297.11118	1.4
307.09760	1.3
313.10968	0.6
325.10724	3.4
327.12332	1.2
329.10281	0.8
337.10620	1.5
339.12238	1.2
355.11859	1.3
357.13364	5.2
357.23962	0.7
359.14874	1.1
367.11844	1.6
369.13141	1.2
371.14764	0.7
381.13489	0.9
385.12787	10.1
387.14304	4.1
399.09607	0.7
399.14227	3.2
417.15393	12.3
474.16443	1.3
603.76099	0.7
611.24603	0.9
616.39447	0.6
643.34747	1.2
643.46332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
53.03919	1.0
55.01856	0.8
65.03938	3.6
67.05471	1.2
69.03396	0.9
69.49386	1.2
69.49824	1.2
71.04965	0.9
77.03899	0.4
78.04705	2.7
79.05500	2.2
80.78906	0.3
81.03397	0.7
81.07033	1.4
82.04182	1.1
85.02903	2.7
91.05479	3.1
93.03375	1.0
93.07018	1.3
94.04160	0.4
95.04957	2.5
95.08595	0.4
96.05729	0.5
97.02900	0.4
97.06516	0.8
103.05457	3.3
105.03337	0.4
105.07033	0.6
106.04179	2.1
107.04955	3.5
108.02146	0.4
108.48093	0.3
109.02888	0.5
109.06506	0.4
110.03638	1.1
111.04420	1.0
115.04709	0.5
115.05451	6.0
117.03394	0.6
117.07012	9.5
119.04909	0.4
119.08517	0.5
121.02924	0.4
121.06495	2.3
121.10109	0.3
123.03585	0.6
123.04422	8.4
123.11694	0.4
124.05203	2.9
125.05965	1.3
127.05437	1.3
130.04012	0.4
131.04933	2.5
132.05673	0.5
133.06451	0.4
134.03642	0.8
135.04366	0.9
137.05977	2.6
138.03035	0.7
139.03882	0.3
140.04633	0.8
142.02592	0.9
143.04887	0.7
144.05663	0.8
145.02881	0.5
145.06476	14.3
147.04387	0.8
147.08044	1.1
148.05183	0.7
149.05989	3.5
151.03931	1.9
151.07523	0.5
152.04697	2.2
152.55223	0.3
153.05473	2.2
155.04866	0.6
155.06013	4.9
155.07072	0.5
159.04399	0.9
160.05225	0.5
161.05991	0.8
163.03874	1.1
163.07578	0.5
165.05470	0.8
167.07028	100.0
168.07385	0.9
171.04372	0.4
171.06549	2.4
173.05977	23.2
175.03889	0.4
175.07553	1.6
177.05461	4.0
179.06989	0.3
181.04947	47.7
181.08417	1.0
189.06949	0.4
190.06197	0.5
191.07039	1.5
195.06546	0.7
201.05492	1.0
203.07042	2.6
205.08578	6.2
207.06429	0.6
207.08167	0.4
207.10109	0.4
209.08040	2.7
219.06526	1.2
220.07266	0.5
222.06982	0.3
231.06558	1.0
233.05862	0.5
233.08099	6.1
234.08687	0.3
235.07457	0.6
235.09619	7.1
237.05418	0.5
237.09126	0.7
245.08031	0.3
250.06125	0.4
263.07019	0.6
265.08643	1.1
283.09436	0.4
293.07950	0.6
294.09033	0.4
297.11264	1.2
303.04941	1.8
309.07471	0.5
310.08353	1.2
317.06638	1.3
325.10834	1.3
326.11557	0.5
327.08707	0.6
327.12320	0.4
329.13864	0.7
333.06223	0.4
335.09360	0.5
353.10071	0.7
357.13354	5.8
367.11774	0.5
370.10178	0.5
385.12802	32.9
386.13370	1.1
387.14343	4.9
399.14398	0.7
411.14969	0.4
415.13217	0.4
417.15439	11.4
441.15494	0.4
613.23291	0.8
643.23828	40.6
644.24597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.01848	1.3
55.05491	0.9
57.03413	0.9
65.03944	2.9
66.04701	0.7
66.30975	0.5
67.05499	2.5
69.03426	3.0
69.07030	1.6
69.35329	0.6
71.04975	1.5
71.52504	0.9
72.16287	0.5
74.09723	0.7
77.82332	0.5
78.04700	2.6
79.05486	5.0
80.26687	0.5
81.03403	2.6
81.07055	2.9
82.04186	0.9
83.04948	1.1
85.02888	5.6
85.06542	0.8
86.09668	0.5
91.05479	4.7
93.03403	0.9
93.07040	2.9
94.04184	0.6
95.04971	3.8
95.08575	2.2
97.02862	2.0
97.06487	1.6
99.04450	0.9
103.05463	3.9
105.03365	0.8
105.04488	0.7
105.07037	2.6
105.65364	0.5
106.04141	1.8
107.04935	7.1
107.08570	1.7
108.05299	0.9
108.71104	0.5
109.02849	1.7
109.06496	1.3
109.10142	1.1
110.03622	1.4
111.04427	1.8
115.05441	5.1
117.03373	0.6
117.06246	0.7
117.07011	9.5
119.04916	1.4
119.08561	2.0
121.02841	0.6
121.06493	3.3
121.10120	2.0
122.03616	1.1
123.04422	12.0
123.11691	1.3
124.05231	3.1
124.07581	1.1
125.05947	2.4
125.09623	0.9
127.03860	1.5
127.05415	1.3
129.07014	0.6
131.04916	3.1
133.02823	0.5
133.06508	1.4
133.10147	1.1
134.03647	0.9
135.04372	1.7
135.08051	0.9
137.02322	0.9
137.05963	8.6
138.03098	0.9
138.06306	1.9
139.03877	1.6
140.04626	0.6
142.02580	1.5
143.04874	1.0
144.05714	0.6
145.02826	1.4
145.06480	13.4
145.10127	1.2
147.04387	2.0
147.08038	1.1
147.11713	0.6
148.05104	0.9
149.06030	3.3
149.13199	0.5
151.03894	2.5
151.07529	1.7
152.04665	3.0
153.01764	0.8
153.05429	2.1
154.06223	0.5
155.06010	4.1
158.22899	0.6
159.04427	1.1
159.07837	0.7
160.05196	0.6
161.05934	1.4
161.09612	0.7
163.03865	1.6
163.07524	1.1
163.11145	1.0
165.05470	1.9
167.07025	100.0
171.06532	2.1
172.05164	0.5
173.04485	1.1
173.05968	22.4
174.06586	0.5
175.03900	1.1
175.07510	1.9
176.04662	1.1
177.05486	6.3
177.08893	0.6
179.03357	1.0
179.07040	1.3
181.04939	53.8
184.07352	0.6
189.05478	0.6
189.12675	0.9
191.03290	0.6
191.07007	5.3
192.07663	0.6
193.05019	0.6
195.06506	2.4
195.08110	0.7
201.05515	1.1
203.07016	2.4
205.08577	6.6
207.06520	2.7
209.08058	3.9
209.77303	0.6
217.08632	0.7
219.10159	0.8
220.07118	0.8
231.06454	1.0
233.08029	8.2
235.09654	7.3
238.06340	0.6
247.07664	0.6
263.09232	0.7
271.06006	0.6
277.08572	0.6
279.06552	0.8
281.07608	0.6
292.07251	0.7
293.08182	0.8
295.09497	0.6
297.11166	1.5
299.09232	0.6
303.04974	1.4
310.08270	1.1
313.17804	1.2
314.18323	3.2
317.06561	8.7
325.10751	1.8
342.10944	1.1
343.08078	1.0
345.05927	1.1
353.10410	1.5
357.13260	5.9
367.11661	0.6
371.14862	0.9
384.11850	0.6
385.12775	32.2
387.14362	6.4
399.14447	2.2
415.13849	1.7
417.15424	14.2
481.11716	0.6
497.10922	3.1
643.23743	46.9
643.33148	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	643.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01847	1.0
58.52345	0.2
64.63477	0.3
65.03680	0.3
65.03933	3.0
66.04684	0.4
67.05493	1.3
69.03394	0.8
69.70060	1.8
71.77151	0.3
78.04705	2.6
79.05487	2.3
81.03412	0.7
81.07011	0.9
82.04182	1.2
85.02893	1.8
89.03889	0.4
91.04979	0.4
91.05479	3.5
93.03391	1.0
93.07009	0.9
94.04150	0.4
95.04971	2.3
97.02885	0.7
97.06488	1.2
98.20851	0.5
103.05456	2.7
105.03383	0.4
105.07015	0.8
106.04161	1.8
107.04955	3.9
108.02068	0.6
109.02830	0.5
109.06478	0.5
109.10117	0.3
110.03641	1.6
111.04436	0.9
115.05438	6.3
117.03348	0.5
117.07015	8.2
119.04916	0.6
119.08558	0.5
121.02760	0.2
121.06496	2.5
121.10086	0.3
122.03657	0.5
123.04420	8.1
124.05190	3.2
125.05947	1.0
127.05506	0.6
128.06178	0.5
129.06996	0.4
130.04097	0.5
131.04941	3.1
132.05705	0.5
133.06487	0.7
134.03600	0.9
135.04402	0.9
135.08038	0.4
137.02338	0.4
137.05956	4.0
138.03091	0.8
139.03941	0.4
140.04649	0.5
142.02599	0.9
143.04950	0.5
144.05750	0.5
145.02831	0.8
145.06476	14.1
145.10103	0.3
147.04349	0.6
147.08040	1.0
148.05157	1.4
149.05971	3.6
151.03896	2.1
151.07530	0.8
152.04662	2.5
153.01752	0.3
153.05429	1.5
155.04858	0.5
155.06003	5.0
155.07117	0.5
157.06422	0.4
159.04396	1.0
160.05196	0.7
161.05957	0.9
163.03914	1.1
163.07515	0.6
165.05495	0.8
166.02638	0.3
167.07025	100.0
168.07414	1.1
171.06529	2.5
172.05257	0.4
173.05974	23.4
174.06555	0.5
175.03896	0.4
175.07565	1.5
176.04677	0.8
177.05458	3.8
179.07086	1.6
181.04941	50.6
181.08475	1.1
182.05359	0.6
188.04733	0.4
189.05518	0.5
190.06291	0.3
191.07027	3.1
192.07762	0.5
193.08659	0.6
194.05754	0.3
195.06520	1.3
201.05472	0.8
203.06989	2.3
205.06784	0.3
205.08578	6.8
205.10342	0.5
207.06534	0.7
207.10086	0.5
209.08015	3.0
217.08583	0.4
219.06450	0.5
219.10127	0.3
221.06076	0.4
221.08046	0.6
222.06778	0.4
231.06561	0.9
233.05887	0.7
233.08040	5.7
235.07521	0.5
235.09613	6.5
237.09026	0.5
247.07753	0.4
250.06216	0.4
251.06911	0.3
252.07669	0.4
265.08548	0.9
267.06494	0.4
282.08823	0.6
283.09818	0.3
293.08047	1.0
295.06091	0.3
295.09470	0.4
297.11264	0.9
303.05017	2.8
307.09802	0.5
309.07535	0.4
310.08322	1.3
317.06598	0.6
323.09158	0.3
325.07373	0.3
325.10498	1.4
326.11493	0.4
327.08716	0.6
329.10132	0.3
337.10931	0.4
342.11060	0.4
344.12592	0.5
353.10342	0.7
355.11880	0.3
357.13300	5.9
367.12103	0.4
370.10379	0.4
381.13394	0.4
385.12775	32.9
386.13467	1.2
387.14352	5.7
399.14307	1.1
415.13925	0.9
416.14920	0.4
417.15402	11.6
418.16025	0.3
545.17535	0.4
643.23798	43.2
644.24146	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	643.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07868	0.5
53.03933	0.6
55.01862	0.9
57.03420	1.6
57.74509	0.4
59.46919	0.5
65.68903	0.5
68.99782	1.1
69.03416	1.6
70.80793	1.0
71.01347	3.1
73.02914	4.9
81.03387	1.0
81.12186	0.4
83.01328	0.5
83.04984	0.6
85.02901	12.5
88.33710	0.5
91.05472	0.9
93.03394	0.5
93.07011	0.7
95.01328	1.1
95.04946	4.6
96.87964	0.5
96.88593	0.5
97.02879	0.9
101.02343	0.8
103.03934	1.0
107.04951	0.5
111.00753	1.0
111.04383	0.7
113.02346	4.0
119.04929	0.7
121.02852	3.0
123.04421	33.8
124.88026	0.5
127.03896	1.8
131.03397	4.3
131.04831	0.7
135.04416	1.5
136.07576	0.5
137.02330	9.5
137.05994	0.8
141.01807	1.9
145.02794	0.7
147.04388	2.3
149.02307	0.9
151.03903	0.6
153.01819	4.3
159.02856	1.6
161.05930	0.5
163.03918	4.0
165.01793	2.2
165.05481	4.7
179.03261	0.6
183.02910	0.8
187.03821	0.8
189.01759	0.6
201.05414	2.2
203.03288	0.9
205.01321	1.4
207.06473	0.8
211.03880	0.6
213.05493	1.1
215.06973	0.6
217.01241	1.4
225.26962	0.5
229.04932	5.0
231.03133	0.6
247.05974	0.7
252.95535	0.5
253.04892	0.9
255.06581	0.6
257.04443	5.5
263.06949	0.6
271.05978	1.5
274.04596	0.7
278.37341	0.5
281.04535	0.6
285.03909	2.2
289.06995	0.5
299.05566	2.6
303.04965	100.0
304.05243	2.0
305.02988	0.6
311.05557	0.6
329.02820	2.6
329.06598	2.9
331.04523	1.5
347.03979	5.0
355.04443	6.1
365.06461	0.8
373.05566	1.3
407.02185	0.9
407.07550	17.9
408.07901	1.0
449.08655	8.0
467.09717	64.1
468.09967	2.0
581.92291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01598	2.1
55.01868	43.3
55.05266	1.5
55.05507	13.6
57.03429	3.5
57.07070	2.1
60.89742	0.8
62.12778	0.9
65.03937	1.8
67.05500	34.0
69.03413	1.6
69.06680	1.5
69.07064	24.3
71.04980	2.2
71.08623	3.2
71.53248	1.2
73.06527	0.7
76.69282	0.8
77.03922	1.0
79.05490	28.2
81.03416	6.1
81.07051	39.4
83.04977	6.4
83.08617	6.0
85.06539	1.6
89.06024	5.1
91.05479	38.9
93.07039	29.2
95.01320	4.5
95.04962	8.7
95.08605	24.3
96.26876	0.7
97.02899	0.9
97.06523	76.5
97.10164	3.7
99.08089	2.3
103.05453	1.4
105.07026	45.4
107.04958	16.7
107.08588	14.7
109.06493	5.7
109.10149	8.9
111.04452	0.9
111.08071	3.0
113.09646	1.4
115.05421	0.9
117.07003	11.8
119.04938	0.9
119.08571	27.8
121.06510	3.7
121.10141	9.0
121.59022	0.8
123.03548	0.8
123.04424	1.9
123.08069	3.4
123.11646	1.9
125.09644	3.2
128.06178	1.6
129.07014	3.7
130.07735	0.9
131.08565	16.4
133.06525	1.3
133.08572	2.4
133.10124	27.2
135.08052	4.0
135.11682	7.1
137.09579	4.3
139.07532	4.4
141.06982	1.3
143.08562	4.2
145.06415	1.9
145.10104	14.8
147.08087	1.5
147.11679	13.1
149.09624	12.9
149.13242	4.7
151.11176	3.4
155.08569	1.8
157.10085	2.8
159.08018	1.1
159.11687	9.1
161.09613	1.4
161.13255	5.2
163.11183	7.6
165.09134	2.6
169.10121	2.4
171.11710	3.3
173.13269	4.5
175.11182	1.8
175.14790	1.2
177.12729	3.4
179.03424	1.1
179.14296	17.5
183.11746	2.2
185.13275	1.6
187.11177	2.8
187.14815	1.1
189.11243	1.3
189.12775	1.8
193.12164	1.1
197.13229	1.9
199.14915	1.3
202.13651	0.8
205.12230	1.7
207.11890	0.9
215.14175	1.1
215.17955	0.9
219.13805	1.0
227.12750	1.4
229.19511	2.6
233.18997	0.8
239.17990	1.7
241.14256	1.1
247.20497	4.3
257.19006	8.0
269.17343	0.9
273.18552	1.9
273.86209	0.9
275.20050	100.0
276.20374	2.6
277.21658	2.3
289.18219	1.0
291.19690	1.2
293.21100	7.6
313.21542	1.1
331.22626	1.6
334.96307	0.7
347.22052	1.1
349.23712	34.7
350.24408	1.5
529.38312	3.1
531.37378	1.0
543.36926	4.7
549.39966	1.3
567.40698	1.0
605.42328	1.0
616.97070	1.0
623.43073	29.1
624.42896	1.8
641.44116	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	641.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01599	2.3
55.01867	35.9
55.05511	36.7
57.03445	14.8
57.07068	3.6
65.03928	6.0
67.05502	95.4
69.03410	5.5
69.07067	49.5
69.53162	7.2
69.53604	7.2
71.04999	8.9
71.08619	3.9
79.05490	76.9
81.03416	9.4
81.07055	90.6
83.04978	12.7
83.08613	17.1
85.06545	5.5
89.33202	1.8
91.05479	74.1
93.07045	73.6
93.07647	3.2
95.01342	4.7
95.04955	22.2
95.08604	60.4
96.08902	2.2
97.06527	46.8
97.10175	14.8
99.08096	4.4
103.05460	3.7
105.07030	83.6
107.04965	27.6
107.08594	48.6
109.06514	20.0
109.10149	33.9
110.91060	2.0
111.08081	6.0
113.06006	6.1
115.05460	4.3
117.07018	30.9
119.08581	51.2
121.06499	7.6
121.10137	30.5
123.04452	2.1
123.08023	9.0
123.11703	6.4
125.04961	2.1
125.09648	11.8
128.06230	4.2
129.06984	17.2
130.07787	1.9
131.08568	40.3
133.06502	6.8
133.10141	38.4
135.08041	11.8
135.11713	13.9
136.71031	1.9
137.09607	7.9
137.13318	2.1
139.07565	2.2
139.11217	2.8
141.07021	9.5
142.07793	2.3
143.08525	16.5
145.06506	7.4
145.10121	39.6
146.10492	1.7
147.08058	6.2
147.11673	25.5
149.09631	27.8
149.13240	7.2
151.11176	7.3
152.93175	1.9
153.09126	2.0
154.07806	2.2
155.08553	9.6
156.09317	3.2
157.10141	15.5
159.08040	3.9
159.11707	22.6
161.09608	5.8
161.13226	12.2
163.11172	17.7
165.07007	2.4
165.09120	2.3
167.08524	5.6
168.09419	2.6
169.10162	12.0
171.08197	2.0
171.11685	16.8
173.09625	4.3
173.11879	3.1
173.13277	12.7
175.11143	4.4
175.14844	3.4
177.12738	5.6
179.14307	13.4
180.09325	2.6
181.10095	4.4
183.11681	11.3
185.09621	2.9
185.13237	10.2
187.11180	6.5
187.13277	2.3
187.14835	6.1
189.11226	7.6
191.14258	2.2
193.12288	2.6
195.11647	5.9
197.13246	10.0
199.14815	4.9
201.12747	4.3
201.16489	4.0
204.07425	1.8
205.12213	2.4
207.11693	2.8
209.13287	4.4
211.14841	3.6
213.12862	2.0
213.16383	2.8
215.17897	2.3
223.14871	3.2
225.16441	4.6
227.12674	12.7
229.14174	3.3
229.19492	5.3
231.17409	2.2
233.18985	2.5
237.16281	2.7
239.17894	5.8
247.20619	4.3
251.18005	2.5
255.17656	2.5
257.19092	14.9
259.20551	3.1
271.20715	2.5
273.18436	7.6
273.21265	2.1
275.20050	100.0
277.21652	4.5
283.20773	2.4
285.22101	2.1
287.20233	2.4
291.19592	15.1
293.20926	11.2
349.19815	2.9
349.23752	38.2
351.25983	1.9
363.26941	3.5
365.23593	2.0
395.29199	5.2
437.30545	2.2
445.29468	3.6
511.34354	4.0
513.36255	3.4
527.37317	4.1
529.35217	6.4
531.37701	4.9
543.36945	9.1
549.39130	6.1
567.39691	4.3
595.41937	2.2
605.41864	4.7
623.33502	3.2
623.43030	48.7
641.44092	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
55.01875	19.6
55.05507	42.5
57.03436	15.8
57.07062	4.9
57.87891	1.6
65.03931	6.1
67.05502	85.7
68.99777	4.6
69.03413	5.2
69.06734	2.6
69.07066	36.5
70.63969	3.0
71.04975	7.6
71.08646	3.4
79.05492	67.2
81.03396	7.3
81.07052	100.0
83.04982	14.1
83.08614	23.8
85.02871	1.9
85.06515	6.8
91.05479	76.6
92.97787	1.8
93.07043	74.4
95.04960	23.4
95.08606	70.5
96.80499	2.1
97.02834	2.5
97.06528	24.7
97.10175	10.0
99.08059	5.5
100.11255	3.8
103.05457	4.4
105.04467	2.1
105.07026	78.0
107.04961	19.2
107.07878	3.7
107.08588	52.8
109.06514	15.3
109.07133	2.5
109.10155	37.9
111.04456	2.8
111.08065	14.5
113.05993	8.2
113.09612	2.1
115.05457	5.2
117.07006	33.6
119.08575	52.2
121.06497	8.2
121.10130	24.6
123.08057	7.3
123.11700	7.9
125.05946	3.1
125.09638	6.4
128.06210	5.8
129.07013	18.8
131.08559	45.9
133.06467	6.4
133.10126	56.5
135.08051	9.4
135.11682	19.0
137.09596	7.7
139.07529	4.3
141.06970	6.0
142.07771	4.9
143.08553	21.8
145.06483	6.4
145.10124	44.2
147.08052	6.5
147.11679	25.6
149.09607	14.2
149.13223	9.8
151.11200	12.9
153.06969	2.5
153.12737	2.4
155.08528	14.6
157.10123	27.2
159.08009	6.3
159.11694	26.4
161.09605	8.1
161.13251	20.0
163.11160	6.8
163.14796	3.5
165.06911	2.1
165.09123	2.5
167.08577	3.8
169.10114	15.2
169.12259	1.9
170.10825	2.4
171.07939	2.6
171.11684	24.8
173.09581	4.7
173.13266	17.8
175.11206	4.2
175.14848	5.4
176.25003	1.9
177.12717	5.1
179.08476	2.8
179.14276	4.9
181.10104	11.5
183.11691	14.3
185.09593	2.9
185.13231	18.7
187.11110	3.0
187.14790	8.5
189.11154	2.4
189.12733	4.7
191.14343	2.1
193.10254	2.3
195.11841	8.9
195.13559	3.3
197.09668	2.0
197.13234	11.8
199.11220	3.3
199.14763	12.1
201.12688	2.4
201.16411	4.4
203.14243	2.2
207.11702	5.0
209.13202	7.2
211.14772	7.5
213.12837	1.8
213.16341	5.1
215.14330	2.0
223.14761	6.0
225.16374	4.6
227.17982	4.4
229.16002	2.1
233.15372	2.9
235.14882	2.7
237.16350	4.5
239.17946	4.5
241.19495	8.4
247.20575	2.7
253.14203	11.4
257.18906	7.3
259.20566	20.0
269.17740	2.1
273.18616	12.6
275.20023	33.2
277.21832	3.8
283.20572	3.1
287.19943	3.0
289.17789	4.5
291.19540	16.0
293.21033	5.4
295.20505	2.6
297.22189	4.5
315.23096	2.3
325.21631	3.1
333.24350	11.2
335.25858	2.2
349.23724	12.9
365.23233	7.9
391.29926	3.5
407.29242	1.9
409.31085	9.5
427.31927	4.8
437.30170	3.7
451.31802	2.3
455.31741	2.8
469.32965	2.1
483.34512	6.9
487.34256	20.0
498.65546	2.0
501.35745	24.1
503.38141	3.8
511.34036	5.6
513.36884	5.1
525.35449	5.4
529.34827	8.7
531.38135	8.4
543.36829	21.2
549.39246	8.5
567.40106	7.4
595.42017	4.4
605.41956	12.3
613.44318	3.8
623.43042	56.0
641.43921	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03938	8.4
55.01871	18.8
55.05508	65.3
55.47617	1.6
56.53487	1.3
57.03427	9.5
57.07055	6.4
59.04994	4.1
65.03928	5.2
67.05502	100.0
69.03431	10.3
69.07064	46.4
69.88658	1.4
71.05003	9.1
71.08609	3.7
75.05714	1.3
75.11153	1.5
77.03922	2.2
79.05490	75.8
81.03418	9.0
81.07053	91.1
83.04977	12.7
83.08618	34.6
84.62568	1.4
85.06536	4.7
91.05479	76.1
93.07040	76.8
95.01285	1.4
95.04976	20.4
95.08604	53.9
97.02864	6.1
97.06535	20.3
97.10168	36.1
99.08073	3.9
100.11628	1.5
103.05453	3.1
105.07028	76.5
107.04940	13.3
107.08590	59.1
109.06532	8.0
109.09476	2.4
109.10157	30.0
111.08118	9.3
115.05441	6.9
116.06280	2.2
117.07016	31.4
119.08577	61.2
121.06479	6.6
121.10133	28.2
123.04426	2.5
123.08066	8.6
123.11689	11.3
125.09612	33.1
128.06187	6.6
129.06984	23.9
130.07747	2.2
131.08568	47.5
133.06494	4.3
133.10129	43.0
135.08034	12.1
135.11676	17.3
137.09616	5.0
139.11116	1.9
141.06979	7.5
142.07765	4.2
143.08543	22.3
145.06491	3.4
145.10114	38.0
147.08041	5.9
147.11685	40.3
149.09604	8.6
149.13228	10.4
151.11200	3.4
153.06975	4.2
153.09090	3.9
154.07733	1.8
155.08551	13.6
156.09306	3.3
157.10123	27.7
159.08034	3.1
159.11693	30.8
161.09608	4.6
161.13240	25.7
163.11165	7.8
163.14786	4.4
165.07059	2.2
165.09085	2.1
166.07722	1.8
167.08601	9.6
168.09335	4.6
169.10098	16.5
170.10864	2.7
171.08046	1.9
171.10266	3.6
171.11671	22.6
173.09578	3.8
173.13260	18.6
175.11143	5.5
175.14804	12.7
177.12685	4.6
179.08553	4.9
179.14346	4.4
181.10133	10.3
182.10826	2.0
183.11647	17.2
184.12457	1.8
185.13249	18.8
187.11232	3.0
187.13287	2.2
187.14816	7.3
189.11218	19.9
189.12729	3.6
193.10109	3.5
195.11671	8.7
195.13773	3.4
196.12379	2.8
197.13223	12.0
199.11224	4.6
199.14839	10.0
201.12727	2.7
201.16373	3.5
203.14362	3.2
205.12183	3.8
206.88791	1.8
207.11612	4.0
209.13321	8.4
209.15102	1.8
211.14883	10.4
213.12642	2.4
213.16367	6.4
215.14268	2.7
215.17931	3.1
217.15947	2.1
219.11604	2.2
221.13251	3.8
223.13020	10.7
223.14867	5.0
225.16370	5.1
227.12727	22.6
227.17929	2.4
229.19460	2.3
230.01335	2.2
231.17462	2.3
231.21071	4.6
233.13216	3.4
235.14813	3.1
237.16368	5.9
239.17931	4.7
241.19527	24.2
243.21033	2.5
245.13716	3.2
245.19099	2.1
249.16385	2.9
251.17909	3.5
253.19572	2.2
257.19003	9.7
259.20554	48.0
271.20474	2.3
273.18509	13.0
275.20102	24.9
277.21814	2.3
285.22101	5.8
289.18115	3.0
291.19531	80.0
292.19589	1.9
293.20963	2.6
295.20572	1.8
299.23590	3.1
313.21622	3.6
315.23111	5.7
331.22794	3.3
333.24329	31.5
349.23752	5.8
363.26749	6.2
365.23212	28.1
372.53946	1.8
379.29913	9.1
381.01477	2.3
381.27814	4.7
393.27838	2.0
397.31058	3.3
437.29913	3.2
451.32007	2.8
455.31436	2.1
511.34006	7.3
513.36871	4.5
525.35577	5.2
529.35089	9.7
531.37994	8.4
543.36676	18.6
544.36792	2.5
549.39252	7.4
554.35516	2.4
567.40112	3.5
595.43616	2.6
597.41351	1.7
605.41901	15.0
623.42963	88.0
624.43304	6.1
641.44128	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	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01866	7.9
55.05284	0.8
55.05512	12.6
57.03430	25.9
57.07060	2.4
65.03925	3.7
67.05501	49.3
68.05806	0.8
69.03419	1.1
69.07069	12.9
70.24087	2.7
71.04979	3.5
79.05021	1.4
79.05487	33.2
81.03413	4.2
81.07050	37.5
83.04975	4.6
83.08607	6.6
85.06543	24.4
91.05473	33.1
93.07041	30.3
95.04962	41.8
95.08604	23.0
97.06518	7.0
97.10162	2.6
99.08073	2.3
103.05428	0.8
105.06312	1.9
105.07020	33.4
107.04950	9.2
107.08589	20.0
109.06516	27.1
109.10152	8.6
111.08051	3.4
113.05998	100.0
113.09579	1.1
115.05466	1.5
117.07002	14.9
118.20087	0.8
119.08572	21.7
121.06473	4.3
121.10139	8.6
123.08083	5.9
123.11668	2.4
125.09615	2.6
128.06224	2.5
129.07002	10.5
130.07770	1.4
131.08562	21.1
133.06511	1.6
133.10112	14.2
135.08044	18.0
135.11688	10.1
137.09569	2.3
141.06963	3.0
141.09073	1.7
142.07748	2.6
143.08540	10.2
145.06422	3.1
145.09061	1.4
145.10112	17.6
147.08041	3.5
147.11682	10.1
149.09631	4.1
149.13298	3.8
151.11119	1.1
153.06999	1.4
154.07718	0.9
155.08540	5.6
156.09328	1.4
157.10129	10.7
159.08041	1.8
159.10484	1.1
159.11694	14.9
161.09612	4.2
161.13284	7.0
163.11179	4.0
163.14796	1.1
165.12709	1.5
167.08539	3.4
168.09283	1.0
169.10101	7.6
171.11664	9.1
173.09613	1.5
173.13222	8.7
175.11252	1.2
175.14825	3.9
177.12712	4.0
179.08586	1.0
179.14268	2.3
181.10103	4.3
183.11642	5.2
185.09639	1.7
185.13228	6.8
187.11153	2.6
187.14806	3.0
189.12717	1.2
193.10179	1.8
193.12059	1.0
195.11705	4.3
195.13687	1.8
197.13228	3.0
199.11128	1.3
199.14853	5.4
201.12665	1.2
201.16330	1.2
203.14249	1.1
207.11763	1.5
209.13275	4.2
211.10916	1.0
211.14745	1.7
213.12834	1.4
213.16341	2.7
215.17880	1.3
217.15833	5.6
217.19473	1.8
221.13249	1.0
223.13057	0.9
223.14941	2.1
225.16338	1.5
227.14388	0.9
227.17975	2.0
231.20976	1.7
233.15530	0.9
237.16322	1.5
239.17999	1.7
241.14229	2.2
241.19571	6.0
245.19016	0.9
255.17377	1.3
257.19034	2.7
259.20599	7.6
273.18460	10.8
275.20026	8.2
279.15839	6.3
289.17767	0.9
291.19504	27.5
293.21091	1.2
311.23587	0.9
315.23026	1.3
321.22003	1.1
325.25015	1.4
327.26797	2.6
331.22769	0.9
333.24252	11.4
347.22156	3.2
349.23746	2.8
365.23315	5.9
365.27283	1.0
393.27567	0.8
395.29358	1.0
435.32349	1.9
437.34073	2.4
445.30295	0.9
477.33466	1.2
495.34473	1.0
511.37424	2.4
513.36169	5.1
527.37280	1.1
529.38800	2.1
531.38544	4.3
543.36530	3.6
549.39014	3.5
551.37213	2.3
565.38611	1.1
567.40106	2.4
569.38489	1.9
595.44116	1.5
605.42261	7.9
623.43011	38.3
624.43585	1.1
641.44037	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	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20965	1.8
53.03936	5.5
55.01873	38.3
55.05507	20.9
57.03437	4.5
57.07078	2.8
59.88686	1.8
65.03938	3.5
67.05502	51.0
69.07066	39.9
71.04984	3.8
71.08607	4.7
77.03928	2.8
79.05077	3.2
79.05492	44.5
81.03408	8.7
81.07051	58.7
83.04975	11.0
83.08612	7.7
85.06532	5.0
89.06027	3.4
91.05478	49.9
93.07039	53.1
95.01319	7.0
95.04948	15.9
95.08606	42.8
97.06526	71.7
97.07158	4.1
97.10175	4.6
99.08094	3.9
103.05493	1.9
105.04571	2.1
105.06308	3.6
105.07027	58.6
106.07391	1.8
107.04952	23.1
107.08586	27.3
109.06516	9.6
109.10147	12.0
111.08069	4.4
111.13392	2.0
113.09669	2.0
115.05521	1.8
117.07020	22.0
119.08573	33.3
121.06522	6.1
121.09277	3.2
121.10093	15.7
123.08059	5.9
123.11695	4.2
125.09627	6.1
126.27347	2.0
128.06175	2.3
129.07004	5.5
131.08569	22.5
133.10133	35.2
135.08066	5.2
135.11642	12.0
137.09634	5.8
137.13243	1.9
139.07590	2.1
141.06949	2.8
143.08589	5.7
145.10121	21.1
147.11676	14.9
149.09596	20.5
149.13216	6.9
151.11194	4.3
155.08508	3.7
157.10083	6.7
159.11620	13.4
161.09602	3.8
161.13264	9.6
163.11153	10.4
165.09103	3.1
169.10124	3.8
171.11662	5.5
173.13295	6.0
175.11113	3.6
177.12735	6.3
179.14322	18.8
183.11671	2.6
184.11743	1.9
187.11182	4.4
195.13464	1.8
199.14911	2.3
205.12346	2.1
215.17897	2.0
217.15906	2.1
227.12776	1.9
229.19368	4.0
233.15416	2.3
239.17995	4.3
247.20531	3.8
257.18976	13.1
273.18408	2.8
275.20053	100.0
276.20151	2.9
277.21661	5.2
291.19427	6.3
293.21082	10.5
349.23718	46.9
514.77222	2.2
527.37952	2.9
529.38818	4.2
543.36871	11.3
565.38672	2.5
623.34949	2.5
623.43060	27.4
641.34692	2.4
641.44177	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40901	2.5
51.72052	2.5
53.03945	9.3
55.01871	6.7
55.05505	20.3
57.03429	12.2
57.07066	4.0
61.02926	3.4
65.03922	5.2
67.05503	49.1
69.03429	19.7
69.07059	21.4
69.30775	21.3
69.31173	4.9
71.04992	7.5
73.02903	7.2
75.92278	2.4
76.14477	2.3
79.05492	40.6
81.03418	14.9
81.07056	57.4
83.04971	9.7
83.08609	13.2
85.02908	16.5
85.06557	4.3
91.05487	30.7
93.07042	44.8
95.04975	13.3
95.08604	56.0
97.02898	22.9
97.06528	9.1
97.10154	6.0
98.20707	5.1
98.98505	2.5
99.08056	3.4
103.03948	4.2
105.07037	35.9
107.04962	10.5
107.08589	40.5
109.02868	3.3
109.06514	10.7
109.09456	2.3
109.10146	43.6
111.69032	2.6
115.03912	12.1
117.07025	13.3
119.08585	37.3
121.06506	4.3
121.10146	50.9
123.08067	8.4
123.11717	9.4
125.09660	7.3
127.03938	3.3
129.06981	8.4
131.08540	16.8
133.10107	30.3
135.08040	7.4
135.11673	23.4
137.09636	8.2
142.07758	2.6
143.08580	9.2
145.10127	16.9
147.11705	22.0
148.93509	3.0
149.09616	10.5
149.13252	11.2
151.11188	10.9
155.08525	3.8
157.10118	16.8
159.07997	3.8
159.11697	18.4
161.13297	9.2
163.11165	5.9
163.14854	6.9
169.10127	6.2
171.11700	10.9
173.13286	8.5
175.14830	6.1
179.14340	4.6
183.11679	5.7
185.13257	4.2
187.14830	5.0
189.16383	6.7
191.17940	100.0
193.12294	4.2
195.11722	3.7
197.13336	4.8
199.14893	4.0
201.16435	5.3
203.17902	4.8
209.13417	3.0
211.06111	2.8
211.13194	3.3
213.16379	6.5
217.19548	8.2
221.13319	2.6
227.12698	2.9
227.17978	3.5
229.07086	3.4
239.17986	7.5
245.19054	17.8
247.20712	2.7
257.18884	13.3
259.20654	3.7
275.20099	27.4
277.21643	4.2
293.21082	2.8
323.27386	16.5
341.28378	64.5
341.48785	3.0
349.23792	13.6
359.29367	5.3
474.72098	2.6
525.36285	2.8
543.36829	25.3
605.42236	5.1
623.43250	12.9
641.34369	3.7
641.44141	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01867	8.3
55.05508	22.8
57.03439	11.1
57.07090	2.8
58.22844	2.3
59.05011	2.6
61.02903	4.5
65.03943	2.5
67.05502	51.5
69.03426	18.1
69.07062	21.8
69.78208	2.2
69.98859	2.2
70.82774	2.0
71.01363	2.4
71.04982	6.3
71.51821	2.8
73.02903	9.3
79.05489	42.2
81.03424	17.8
81.06593	4.2
81.07049	59.9
83.04969	10.4
83.08621	11.1
85.02908	11.6
85.06529	9.5
91.05472	39.2
93.07042	47.0
95.04956	13.5
95.08604	61.4
97.02870	19.3
97.06525	11.6
97.10153	9.3
103.03952	4.2
103.05502	2.8
104.80334	2.5
105.07023	44.9
107.04961	11.0
107.08585	47.3
109.06519	9.7
109.10149	46.8
111.08053	6.3
113.09645	4.1
115.03937	17.0
115.05434	3.1
117.05497	3.0
117.07005	13.0
119.08580	41.8
121.06509	4.5
121.10130	46.7
123.08064	7.1
123.11701	10.2
125.09618	6.9
127.03930	2.6
127.07524	2.5
128.06206	2.2
129.07011	9.5
131.08546	22.4
133.04924	4.3
133.10126	33.3
135.08072	6.0
135.11684	24.0
137.09627	6.5
137.13260	4.7
139.03880	2.4
139.11142	2.6
143.08559	7.8
145.10107	21.0
147.08022	3.8
147.11688	18.9
149.09608	12.6
149.13223	14.4
151.11165	6.3
153.12697	5.1
155.08597	5.1
157.10152	12.1
159.08064	3.5
159.11678	17.0
161.09641	2.3
161.13260	12.3
163.11145	11.4
163.14859	11.8
165.12778	5.3
169.10098	5.3
171.11685	7.9
173.13254	10.3
175.11223	4.8
175.14790	7.0
175.66180	2.7
177.12775	6.0
179.14323	6.2
181.10118	3.3
183.11714	4.3
185.13266	5.3
187.11246	2.3
187.14804	7.4
189.11212	3.7
189.12790	2.3
189.16324	6.2
191.14287	3.1
191.17941	100.0
193.12227	2.8
193.15779	2.6
195.11725	3.9
197.13223	5.2
197.80713	2.4
199.14825	3.8
201.16432	5.1
203.14224	2.6
203.17972	8.6
211.06024	3.3
211.14864	3.2
213.16365	6.2
215.17989	6.0
217.15932	3.3
217.19519	8.2
227.12646	4.5
227.17902	4.7
229.07156	3.6
229.19279	3.0
231.17494	3.2
239.17973	4.3
241.19438	2.4
245.18983	18.0
253.19531	2.5
257.19012	16.0
267.15622	2.5
267.21136	3.9
273.18649	2.9
275.20056	33.1
277.21646	5.4
284.59863	2.4
293.21045	4.0
294.90396	2.5
304.53238	2.4
307.05957	2.5
309.22620	2.5
323.27368	19.6
332.92081	2.2
341.28366	79.1
349.15903	3.0
349.23737	11.5
359.29327	7.0
434.56882	2.6
469.33328	2.7
479.30307	3.4
525.35553	2.7
543.36670	30.0
544.36987	3.1
567.39911	3.4
623.43372	13.9
641.34113	3.3
641.44263	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	641.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01870	6.7
55.05508	22.2
57.03434	16.2
59.05002	3.8
65.03959	5.6
67.05502	83.8
69.03423	23.1
69.07071	17.0
70.95574	4.5
71.01363	1.7
71.04990	47.1
73.23553	1.7
79.05492	43.0
81.03415	100.0
81.07056	45.4
83.04977	24.2
83.08615	20.9
85.02901	29.3
85.06548	6.5
89.43942	1.6
91.05478	53.1
91.06027	3.2
93.07040	44.3
95.04964	33.6
95.08607	28.7
97.02883	15.5
97.06532	12.8
97.10154	9.4
99.04456	7.2
99.08112	3.2
101.02395	2.2
103.05546	2.3
105.07038	30.2
107.04950	11.7
107.08584	25.6
109.02884	19.8
109.06523	11.6
109.10157	49.3
111.04453	10.7
111.08051	10.6
115.05439	3.4
117.07014	9.6
119.04945	5.3
119.08585	31.2
121.06507	11.0
121.10135	19.9
123.04406	4.0
123.08091	4.3
123.11722	7.5
125.05991	5.5
125.09648	7.4
127.03918	10.1
129.05499	4.2
129.06992	10.0
131.04938	2.8
131.08559	16.7
133.06509	7.8
133.10112	13.5
133.85895	1.7
135.04372	2.2
135.08057	7.7
135.11673	17.6
137.06009	3.6
137.09605	13.9
139.03853	1.7
143.08575	4.4
145.06474	3.2
145.10088	10.7
147.04402	6.4
147.08070	5.6
147.11690	16.0
149.09639	7.8
149.13258	3.5
151.07582	3.0
151.11230	4.4
153.05476	3.7
155.08606	2.7
155.10655	3.4
157.10075	13.6
158.40849	1.9
159.11700	5.1
161.09656	4.9
161.13193	3.4
163.03893	2.3
163.11189	11.3
165.09238	2.6
165.12788	6.8
167.07045	4.8
167.08470	1.8
167.10684	2.1
169.12270	2.9
171.11635	2.9
173.04472	10.4
173.05908	3.7
173.11740	15.0
173.13110	3.4
175.03865	2.5
175.11221	9.6
177.05466	3.1
177.12923	2.1
179.10713	2.8
181.04996	9.0
181.12267	7.0
184.07385	1.6
185.13217	2.2
187.11172	2.3
187.13272	4.4
193.12244	32.2
195.13803	1.9
201.12688	2.4
205.12198	3.1
207.06613	5.9
208.06934	2.5
211.13277	50.7
212.13597	2.2
213.05457	3.2
219.13797	2.6
227.12802	3.3
229.14330	3.2
243.16003	4.4
249.14934	3.1
255.16019	2.9
267.15869	14.1
269.08148	2.1
269.17392	1.9
273.14960	1.7
283.15674	2.4
285.17029	7.4
307.15247	2.6
325.16461	5.9
333.06906	2.0
381.18985	4.0
393.19202	2.2
399.20132	2.1
403.24722	2.5
411.20230	1.8
421.25885	10.4
429.26776	2.1
431.22845	2.0
437.28857	2.3
439.26990	14.2
447.27515	11.7
453.28299	8.3
461.28897	4.3
463.26602	2.0
465.28247	2.8
479.30054	3.8
495.12955	8.4
497.31165	9.1
543.36731	6.8
559.20020	2.1
591.31415	5.3
609.32526	11.9
610.33112	1.9
623.33771	7.2
641.34534	59.0
641.45941	58.5
641.57172	2.3
642.35193	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	641.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03934	1.4
55.01855	1.4
55.05494	1.0
57.07047	0.7
59.04974	0.6
65.03932	5.9
65.22101	0.6
67.05499	4.6
69.03423	3.8
69.07055	2.0
69.93987	1.5
69.94395	2.0
71.05001	0.6
78.04684	1.7
79.05489	5.9
81.03403	2.6
81.07048	4.4
82.04176	1.9
85.02889	5.9
85.06546	0.8
85.27022	0.6
88.42613	0.6
89.03915	0.6
89.54198	0.6
91.05474	9.8
92.06261	0.9
93.03396	1.6
93.07044	3.4
95.04970	4.6
95.08590	3.3
97.02879	1.1
97.06509	2.4
97.10155	0.9
98.20861	0.7
99.04422	0.9
102.04614	0.6
103.05479	3.6
105.03391	0.8
105.07014	2.3
106.04181	0.9
107.04948	11.0
107.08585	3.0
108.02070	1.3
109.02861	2.4
109.06504	2.6
109.10137	2.5
110.03638	2.8
111.04433	3.2
111.08094	0.8
115.05446	10.0
116.06226	0.6
117.03335	0.8
117.07018	13.8
119.04913	4.3
119.08568	2.6
120.05706	1.9
121.02845	1.1
121.06470	1.6
121.10125	2.7
122.03641	1.0
123.04446	6.1
123.08070	1.1
123.11699	1.3
124.05199	2.2
124.07572	1.8
125.05977	2.5
127.03884	0.8
127.05425	1.8
128.06171	0.7
131.04921	4.1
131.08522	1.0
133.02829	0.9
133.06482	1.4
133.10068	1.3
135.04416	2.3
135.08049	1.1
135.11678	0.7
137.05963	7.6
138.03088	1.7
139.03865	0.8
142.02611	3.2
143.04858	2.7
144.05661	0.7
145.02800	1.6
145.06474	20.0
145.10130	1.2
147.04410	3.9
147.08038	2.4
147.11575	0.7
148.05157	3.7
149.05977	1.0
151.03839	2.1
151.07516	1.8
152.04668	1.4
153.05426	2.2
153.12683	0.7
154.06244	0.9
155.04918	0.9
155.06020	5.5
155.07071	1.1
156.05788	0.6
158.07274	0.9
159.04408	1.9
159.11658	0.8
160.05188	1.5
161.06024	3.0
161.09673	0.7
163.03893	1.5
163.07481	1.6
165.05473	10.3
166.06160	0.8
167.07033	50.2
171.04387	1.9
171.06552	3.6
173.05974	25.1
174.06783	0.9
175.03896	2.4
175.07458	3.8
176.04713	1.3
177.05460	5.2
177.09138	1.4
179.07008	1.4
181.04945	100.0
182.05301	1.3
183.04424	0.8
185.06000	0.8
187.03915	0.7
188.04678	0.8
189.05472	1.9
189.09039	0.8
190.06235	1.6
191.03336	0.6
191.07010	6.3
193.05023	1.0
195.06526	2.0
197.05974	0.8
197.08089	0.9
201.05478	10.0
202.06282	1.4
203.07034	9.0
205.04919	1.9
205.06645	0.8
205.08600	9.5
206.09331	0.7
207.06480	4.0
208.07225	1.4
213.05463	1.2
217.05103	0.7
217.08630	4.4
219.06477	9.0
219.08348	1.1
220.07242	5.0
221.07967	0.7
223.07655	0.7
225.07559	4.9
231.06543	2.5
233.08069	18.5
234.06731	0.5
234.08850	12.1
235.09593	5.6
241.08725	0.6
247.07666	0.7
250.06174	1.0
251.07047	2.0
263.07062	0.8
265.08621	1.4
267.06580	0.8
269.08163	0.9
279.06470	5.3
291.06702	0.7
291.09933	0.7
293.07980	3.3
295.09418	1.0
297.11227	1.1
303.04941	1.8
303.23117	1.0
307.09555	0.9
309.07623	0.8
310.08203	0.7
321.07523	3.9
321.24127	1.0
324.09351	0.7
325.10782	1.4
329.10287	0.8
339.08694	1.9
353.10147	0.8
354.10172	1.0
355.11783	2.4
356.11218	1.8
357.13397	5.0
359.11255	3.6
365.10193	0.9
368.12531	0.7
371.11090	0.6
383.11337	1.1
385.12799	32.2
386.13593	3.8
387.14511	3.5
397.12802	2.5
398.13467	1.8
415.13879	7.2
416.14621	17.9
417.15436	10.1
430.12589	0.7
444.13751	0.6
461.17148	0.9
479.18137	1.5
559.48553	0.6
611.20813	3.4
641.22174	46.3
641.31586	3.3
642.22821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1705
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01864	0.4
57.03432	1.8
61.02900	0.9
63.32434	0.3
69.03440	2.2
69.87745	1.5
69.88125	0.6
71.01331	0.4
71.04623	0.6
71.04988	8.7
73.02884	0.7
75.04440	0.4
75.89643	0.4
81.03387	1.4
81.07034	0.5
83.04967	0.6
85.02903	14.4
87.04439	0.4
91.05464	0.5
95.04934	1.0
95.08568	0.5
97.02880	3.0
99.04428	0.6
105.07027	0.4
109.02850	1.4
109.10134	0.5
111.04415	0.6
121.02882	0.5
121.10083	0.5
123.04433	0.9
125.02304	1.9
125.16327	0.4
127.01727	0.3
127.03922	1.9
129.05502	2.4
137.02338	1.6
137.05946	0.5
139.03870	1.0
141.05453	0.7
145.02838	0.7
145.04939	0.9
147.04414	0.6
147.06508	0.6
147.08163	0.3
149.13229	0.3
151.03877	2.2
153.01816	5.0
153.05496	0.4
162.05054	0.3
163.03850	0.8
165.01759	1.1
167.03397	6.9
167.07077	0.6
173.40930	0.3
173.87756	0.3
175.03893	0.4
177.04132	0.4
177.05405	1.9
179.03363	2.7
180.04172	0.4
187.07379	0.4
191.03407	0.6
193.01175	0.4
197.04439	1.3
203.07018	0.8
205.04767	0.6
207.02811	0.4
207.06454	0.3
209.04437	0.8
215.07011	0.7
216.04211	0.4
231.06531	1.5
241.05161	0.5
243.06549	1.8
249.07486	0.4
259.06009	4.1
267.02884	1.3
269.04425	0.6
271.05951	1.0
273.03918	0.5
274.04675	1.0
277.07010	0.8
279.06567	0.4
287.05502	2.9
290.04208	0.8
295.02386	2.9
302.04160	1.2
303.05078	1.1
304.05734	1.4
315.04910	0.6
317.06546	45.8
318.03415	0.7
318.06778	0.9
327.04907	1.2
333.06027	100.0
334.06354	2.4
465.08273	0.6
479.11911	5.8
641.22192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.17
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03905	0.5
55.01826	0.6
55.05466	0.5
57.03368	1.7
61.02861	0.9
67.05453	0.3
69.03357	2.2
69.90198	0.2
71.04919	9.3
71.05347	0.7
71.07222	0.5
73.02850	0.3
75.04422	0.3
75.35462	0.2
79.05441	0.4
81.03423	1.5
83.04908	0.7
85.02903	15.2
85.03372	0.8
87.04378	0.3
91.03907	0.4
91.05415	0.5
93.06974	0.2
95.04946	0.5
97.02888	2.3
99.04445	0.3
109.02887	1.6
109.10075	0.2
111.04399	0.5
117.03324	0.2
119.08498	0.3
121.02783	0.8
121.10107	0.3
123.04331	0.9
123.05120	0.2
123.11718	0.2
124.01510	0.3
125.01498	0.2
125.02338	2.3
127.03928	1.6
129.04688	0.2
129.05446	2.7
133.02696	0.2
135.04333	0.4
137.02299	1.4
137.05885	0.5
139.03824	0.8
141.05370	0.7
145.02791	0.7
145.04951	1.3
147.04356	0.5
147.06447	0.6
151.03909	2.1
153.01826	8.0
153.05255	0.3
160.05252	0.2
163.03784	0.7
165.01741	0.8
167.03397	7.1
167.06927	0.5
171.02832	0.2
171.04323	0.3
177.05443	1.5
179.03366	3.3
180.04088	0.6
181.01222	0.2
181.04834	0.6
191.03308	0.5
191.06868	0.3
193.04942	0.4
197.04411	1.1
203.06976	0.8
205.04700	0.5
207.06476	0.4
209.04376	0.9
211.03848	1.1
213.05399	0.4
215.06897	0.7
217.04889	0.4
219.06529	0.4
231.06502	2.5
233.08105	0.4
235.02328	0.4
239.03349	1.1
241.04921	0.3
243.06537	1.6
244.03526	0.3
249.07683	0.3
259.06009	3.7
265.04907	0.6
267.02884	2.3
269.04355	0.7
271.05930	0.9
274.04660	0.7
277.07016	0.7
287.05466	3.6
288.06097	0.3
289.03430	0.3
290.04218	0.7
295.02380	6.2
296.02557	0.3
297.03961	0.3
299.05444	0.6
302.04138	1.1
303.04938	1.0
304.02695	0.3
304.05783	1.2
305.06198	0.3
315.04904	0.9
317.06540	35.7
318.03650	0.8
318.06961	0.7
327.04922	2.2
333.06027	100.0
334.06299	2.5
403.04358	0.5
479.11841	3.2
495.11246	0.4
641.22205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1494
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
50.73016	0.2
53.03948	0.3
63.02385	0.6
65.03949	0.2
65.89503	0.2
68.99792	0.6
69.03422	0.4
69.38129	1.4
69.57892	0.2
78.04717	0.3
81.03392	0.4
85.02887	0.3
85.79920	0.2
89.03909	6.7
91.05489	0.5
95.04934	0.3
97.02893	0.3
99.04495	0.2
103.05513	0.3
106.04173	0.5
109.02866	0.5
111.00792	0.5
117.03373	21.3
119.04977	0.3
121.02839	0.6
123.04419	0.3
124.05128	0.2
131.33081	0.2
134.03651	1.5
135.04407	1.6
137.02336	1.8
137.03238	0.3
137.94751	0.2
145.02838	55.1
146.03171	0.7
147.04364	0.3
149.05968	6.5
151.03917	0.3
153.01833	2.6
161.05815	0.3
162.03069	0.2
163.03889	0.9
165.01840	1.2
165.98956	0.3
173.05896	0.3
177.05460	100.0
178.05833	1.9
183.02872	0.4
183.04390	0.4
186.05518	1.4
195.02968	0.3
195.06526	0.5
201.05518	1.2
205.04913	0.4
219.06297	0.3
229.04956	3.3
247.05899	0.4
257.04498	2.2
261.07562	0.5
274.04651	0.6
285.04031	0.9
293.04120	0.3
303.04968	55.1
304.05383	1.8
317.06354	0.3
321.09692	1.1
339.10736	6.6
345.06113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05502	16.9
57.03439	9.7
57.07075	45.9
66.24581	4.0
67.05505	46.2
69.07081	24.6
71.08625	33.7
71.52113	4.6
71.52501	6.7
79.05481	32.6
81.03410	5.7
81.07053	63.1
83.04980	8.8
83.08627	14.3
85.06534	4.8
85.10176	13.8
89.06048	4.7
91.05499	29.7
93.07013	26.9
95.04989	10.3
95.08606	37.1
97.06516	7.4
97.10181	4.8
105.07027	17.5
107.08590	18.1
109.10135	11.5
114.06004	3.8
116.00895	4.1
117.07003	12.3
119.08576	14.7
121.10141	6.8
123.11716	4.6
123.70064	4.2
131.08557	7.3
133.10098	16.7
135.11678	10.0
137.09560	4.8
145.10107	6.3
147.11639	7.2
149.09660	4.6
149.13220	6.6
157.10153	5.4
159.11699	12.3
164.09346	4.5
183.11839	4.5
189.84550	4.6
236.01453	4.6
239.23616	7.4
255.15953	8.8
257.18970	6.8
269.17429	16.4
275.20050	25.5
313.27353	72.9
349.23636	17.1
350.64792	4.2
493.38718	16.6
507.40381	100.0
587.46582	9.2
605.47614	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	639.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01867	4.7
55.05507	18.5
55.05764	1.4
56.25890	0.6
57.03189	0.9
57.03436	9.7
59.05002	0.9
59.76075	0.7
65.03938	1.7
67.05502	27.0
69.03425	14.9
69.07066	10.7
69.43885	4.8
71.01363	1.6
71.04986	6.3
73.02927	0.9
79.05492	26.1
80.52715	0.7
81.03414	100.0
81.07050	36.2
83.04493	1.3
83.04977	22.4
83.05477	1.2
83.08617	21.0
85.02903	23.7
85.06548	3.1
91.05476	32.1
93.07041	20.0
93.07632	0.7
95.04958	29.0
95.08601	13.5
95.54729	0.6
97.02888	14.0
97.06549	6.1
97.10155	6.4
99.04450	4.8
99.08100	2.0
101.02376	0.9
103.05441	0.9
105.04528	1.5
105.07025	22.7
106.97046	0.8
107.04952	9.3
107.08585	13.7
109.02876	17.5
109.06508	7.2
109.10155	7.6
111.04442	12.7
111.08079	10.9
113.06015	2.2
115.04016	0.7
115.05462	1.0
117.07016	3.6
119.04925	1.1
119.07709	1.1
119.08571	21.0
121.06500	4.1
121.10143	10.9
123.04441	2.4
123.08036	3.9
123.11674	4.8
125.05959	1.0
125.09648	4.0
127.03919	12.1
128.06221	1.5
128.15329	0.7
129.05492	2.3
129.07007	10.1
131.04930	1.1
131.08549	10.9
133.06516	4.1
133.10121	10.4
135.04437	0.9
135.08089	2.0
135.11685	3.7
137.05969	1.6
137.09633	3.3
137.13292	2.1
139.11179	1.3
141.07033	1.1
142.07779	3.7
143.08562	1.6
145.06494	1.9
145.10094	4.4
147.04453	1.5
147.08083	2.9
147.11671	17.5
147.12804	1.1
149.06006	1.7
149.09625	7.6
149.13310	2.0
151.11119	1.0
153.09105	0.9
153.12714	3.7
157.06525	0.8
157.10133	11.8
157.11333	0.9
159.08061	1.1
159.11717	0.9
161.05992	1.0
161.09593	0.7
163.03992	0.8
163.07643	0.7
163.11192	4.8
163.14798	0.9
165.09126	0.8
165.12738	5.5
167.03465	0.9
169.10135	1.1
171.08057	1.4
173.04488	1.3
173.05945	0.8
173.09654	1.2
175.11166	13.4
177.05473	0.7
177.12810	0.7
179.10710	0.8
181.01489	0.7
181.12233	3.5
185.13322	1.1
187.11130	1.1
189.09457	0.7
189.11238	1.6
189.12766	1.6
191.10727	3.7
193.12234	42.6
207.06586	0.9
211.13278	76.1
217.12283	0.7
227.12735	6.6
229.14427	2.0
235.13307	1.6
249.14851	2.6
259.13367	1.2
265.14572	0.8
267.15891	17.0
267.18585	1.0
268.16360	0.8
273.14932	2.3
277.14499	1.4
283.15536	2.5
285.16949	13.0
291.15854	1.2
301.14288	4.9
305.24841	2.5
309.17114	0.9
313.16821	0.9
319.15488	2.3
323.25952	2.3
337.16507	3.7
355.17596	7.2
357.23773	0.8
367.22745	1.8
375.18076	1.9
385.23831	2.9
393.19083	3.4
403.24823	1.5
411.20236	6.4
429.21198	3.0
447.27533	0.8
449.29132	2.6
459.27429	8.7
467.30188	1.5
477.10098	0.9
477.28412	10.1
495.29477	12.5
511.29120	1.2
519.29578	1.0
537.24329	0.7
573.30939	1.1
585.30621	2.9
603.31708	2.1
621.32507	8.9
639.33771	39.2
640.33948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01545	3.2
53.03937	9.3
55.01860	9.3
55.05509	36.1
57.03424	10.6
57.07063	4.7
59.05007	4.5
65.03912	3.5
67.05503	47.0
69.03422	26.8
69.07064	43.0
71.01324	5.0
71.04981	13.9
71.51289	3.9
72.65124	3.0
79.05494	55.4
81.03413	96.0
81.06596	6.7
81.07052	100.0
83.04987	26.1
83.08613	28.3
85.02903	27.9
85.06543	7.2
86.09676	3.0
87.59949	3.3
91.05479	54.7
93.07044	62.1
95.04959	40.8
95.08603	57.8
97.02894	17.5
97.06535	18.3
97.10169	19.5
99.04475	7.8
99.15087	3.2
100.16193	3.1
103.05460	5.0
105.07026	52.7
107.04951	15.1
107.08592	51.0
108.08922	3.3
109.02866	29.0
109.06511	12.7
109.10158	46.8
111.04443	13.6
111.08062	10.0
111.11700	6.5
115.10071	3.3
117.07021	10.5
119.04913	9.8
119.08573	37.2
121.06500	12.6
121.10133	48.9
123.04426	14.1
123.08038	10.5
123.11708	35.9
125.09613	14.9
127.03911	17.2
128.06195	4.0
129.06967	16.3
131.04936	5.0
131.08578	20.3
133.06477	5.9
133.10136	29.5
135.08000	8.0
135.11684	21.9
137.05939	7.9
137.09599	9.0
137.13193	9.1
139.03917	3.9
139.11168	10.0
143.08540	8.0
145.06458	4.5
145.10136	15.9
147.04410	23.7
147.08058	7.9
147.11687	32.3
149.05928	4.4
149.09595	12.9
149.13266	32.1
151.07472	4.4
151.11153	4.0
153.12791	5.1
157.10138	15.1
157.12259	5.4
159.08072	7.5
159.10493	4.1
159.11685	14.4
161.05983	6.8
161.09637	7.1
161.13235	13.0
163.03934	5.5
163.11127	13.7
163.14806	7.6
165.09189	8.5
165.12770	9.8
165.45055	3.5
171.07951	3.3
171.11708	6.9
173.04425	5.3
173.05870	3.6
173.09627	4.2
173.13246	4.7
175.03850	6.5
175.11154	15.5
175.14838	6.1
177.05508	9.2
177.16342	4.5
179.10649	3.7
183.11617	3.8
185.13257	4.1
187.11206	6.0
187.14789	5.0
187.60049	3.3
189.09070	4.0
189.12740	7.1
191.10709	5.4
191.14252	5.5
193.12228	30.5
198.37056	4.3
201.16406	4.8
207.06531	13.0
207.13727	6.1
209.11687	4.9
211.13275	42.2
213.12737	5.8
213.16318	4.2
227.12646	7.3
235.13300	8.3
259.24237	4.1
267.15930	15.0
269.22507	4.0
275.23703	3.6
277.13791	3.9
277.25357	5.3
285.16879	9.9
287.23721	5.4
301.14581	5.7
303.06421	23.3
303.23117	6.4
305.24728	24.8
319.15451	4.4
323.25848	10.9
411.18704	3.5
413.26672	10.1
429.20453	4.1
431.27805	12.3
435.08768	8.2
449.29169	27.7
459.27313	6.6
467.29904	12.4
477.09695	11.6
477.28040	8.9
495.29721	5.1
621.31805	13.4
639.33258	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28176	1.1
52.15714	1.1
67.05507	1.5
69.41517	7.3
102.59007	1.0
120.08020	1.2
136.45999	1.2
184.11215	1.1
361.14536	1.4
363.16586	1.3
366.19888	1.3
375.16284	4.0
376.16940	3.3
377.17731	5.2
378.19315	2.3
388.12720	1.1
388.17773	2.6
389.17776	5.9
390.18579	7.8
391.19162	21.5
392.19931	5.1
393.21637	2.2
403.19531	3.8
404.19922	7.6
405.20770	30.6
406.21454	13.6
407.22287	1.7
417.20758	2.0
418.21750	1.8
419.22733	8.9
420.23111	17.0
421.16370	1.0
421.18198	1.4
421.23846	13.4
424.22751	1.8
432.23328	2.4
433.24704	7.4
434.25266	7.5
438.20523	4.2
445.20074	5.1
447.21655	4.6
448.22693	12.2
449.23474	22.4
452.22031	21.0
453.22220	1.9
459.21954	8.4
460.22510	15.4
461.19113	2.3
461.24170	1.6
462.20486	21.7
463.21304	4.4
465.23038	10.9
473.19702	1.5
475.20953	17.4
476.22034	11.4
477.22803	38.8
478.23251	2.8
479.24521	1.7
487.21262	3.1
489.22565	2.8
491.20300	1.6
492.25482	12.7
503.24274	9.4
506.26929	1.3
507.27484	4.9
508.28479	2.6
518.23389	2.5
521.21838	15.4
523.23077	2.1
535.26196	9.7
536.24152	60.8
537.24640	7.9
547.23267	2.3
551.25983	2.3
552.27264	13.5
561.24884	5.5
562.25195	3.5
563.26233	3.7
579.25623	3.3
593.27112	3.5
595.28607	2.8
607.24860	1.7
621.27203	7.5
622.27789	100.0
623.28296	6.4
639.28082	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01860	5.1
55.05511	19.5
57.03434	9.4
65.03941	2.6
67.05503	26.9
69.03429	14.2
69.07056	6.8
71.04984	7.1
71.51304	1.8
79.05487	24.4
81.03415	100.0
81.07052	31.3
82.03738	1.0
83.04975	22.6
83.08617	22.1
85.02901	23.5
85.06554	3.0
89.60335	0.9
91.05480	33.2
93.07040	19.5
93.46803	0.9
95.04962	29.3
95.08606	13.5
97.02888	16.4
97.06533	5.8
97.10150	6.1
97.22443	0.9
99.04466	5.9
99.08122	1.0
103.05469	1.1
105.07027	22.6
107.04950	8.0
107.08592	12.0
109.02872	15.8
109.06498	5.3
109.10158	5.9
111.04437	15.8
111.08068	10.3
111.08702	1.1
113.06015	2.0
115.05468	2.8
117.07025	4.2
119.04929	2.1
119.08580	21.0
121.06527	5.0
121.10150	11.8
123.04426	1.9
123.08071	3.3
123.11700	2.4
125.09636	4.1
127.03914	9.7
128.06253	1.1
129.05481	1.7
129.06982	11.5
131.08551	11.4
133.06503	3.3
133.10110	9.5
135.08063	1.9
135.11702	3.3
137.06012	1.7
137.09596	2.0
139.03818	1.0
142.07793	1.8
143.08536	1.6
145.06528	1.8
145.10117	5.1
147.04387	1.2
147.08083	3.9
147.11685	16.5
149.05936	0.8
149.09601	7.1
153.12747	3.4
157.10110	12.6
157.11143	1.0
163.11203	5.8
165.12769	4.5
171.11697	1.1
173.09612	2.0
175.07576	0.9
175.11188	14.9
181.12299	3.0
189.11273	1.2
191.10704	3.6
193.12239	43.8
202.44749	1.0
209.11763	1.7
211.13280	64.8
227.12717	5.1
229.14363	1.8
235.13426	1.1
249.14850	1.9
259.13318	1.4
267.15930	15.5
273.14859	2.8
283.15488	2.5
285.16956	12.1
301.14325	2.7
309.17020	1.5
313.16623	1.1
319.15448	2.8
325.60065	0.9
337.16559	3.6
355.17566	5.4
356.55191	0.9
366.05573	1.2
367.23108	1.2
375.18140	1.1
385.23764	2.6
390.43307	1.0
393.19070	3.0
397.71478	1.0
403.24750	1.5
411.20056	5.5
429.21371	2.3
459.27368	7.1
477.28607	8.6
495.29568	12.4
511.28775	1.6
533.53510	1.0
585.30463	2.4
603.31830	2.6
621.32635	8.4
639.33759	40.2
640.35278	1.3
641.50409	1.0
651.36963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.18095	3.7
98.20754	0.6
116.14162	0.3
183.09186	0.4
195.09215	0.5
196.09908	0.4
208.09970	0.3
209.10738	0.6
221.10800	0.9
222.11649	0.3
223.12267	0.7
231.84219	0.3
237.14040	0.6
261.13889	0.3
275.10852	0.3
300.14914	0.5
312.15045	0.7
313.15878	0.4
314.16714	0.8
324.15338	0.4
325.15561	0.6
326.16467	0.6
328.18134	0.5
338.16666	0.4
340.18146	0.7
363.15948	0.9
365.38858	0.3
375.16431	1.3
376.16995	0.8
377.17511	3.1
378.18497	2.1
379.19098	0.5
380.21371	0.5
384.16974	0.3
386.18515	0.3
388.17575	0.6
389.17938	2.0
390.18408	2.6
391.19180	8.5
392.19891	5.8
393.20779	2.1
402.18213	0.7
403.19373	2.1
404.20068	3.2
405.20761	16.0
406.21436	6.7
407.22302	18.0
408.22772	1.3
417.21161	2.4
418.21585	1.4
419.22446	7.7
420.23062	7.1
420.28259	0.6
421.17172	1.3
421.23853	24.8
422.17590	1.1
422.24582	5.3
422.29895	0.4
423.18347	0.6
429.21201	0.7
431.17819	0.7
431.22388	1.4
433.24417	5.4
434.24817	2.8
435.18234	2.9
435.25369	1.9
436.18936	2.7
437.19620	1.0
443.22641	0.7
445.19897	2.6
446.20862	1.2
447.20441	1.6
447.25897	1.5
448.26141	1.0
449.19067	3.0
449.26968	1.3
450.20593	2.6
450.27191	0.6
451.21283	19.9
452.21985	5.2
452.27844	0.4
457.24176	0.5
458.17029	0.6
458.24823	0.5
459.21701	1.2
460.22708	1.8
461.24084	2.3
462.20508	0.6
463.21515	2.3
464.22162	2.1
465.22861	25.5
466.23526	2.8
472.18881	0.4
473.19330	2.6
474.20383	0.5
475.21152	1.8
475.25406	1.4
476.26062	0.7
477.22635	2.4
478.23996	2.1
479.24390	2.2
483.21680	0.4
486.20541	0.7
487.21252	3.5
488.22006	2.8
489.22983	1.1
490.24246	0.5
491.20984	2.3
491.26111	0.5
492.20911	1.1
492.25507	1.3
493.26163	3.0
501.23083	2.5
502.23602	1.3
503.24377	17.9
504.25058	1.7
505.22430	0.5
506.25610	0.4
507.27594	13.3
508.28394	3.7
519.23816	1.0
520.24341	0.5
522.22668	0.6
523.23492	4.2
525.25092	0.4
529.22198	0.3
533.25623	1.6
535.27081	20.0
536.27814	1.8
537.24945	12.0
538.24939	0.5
547.22894	0.5
551.26556	7.5
552.27271	23.2
553.28229	0.6
561.25073	4.7
562.26044	0.7
565.26801	0.4
579.26044	11.0
580.26556	3.9
593.27704	1.9
595.29144	7.1
621.27057	21.5
622.27570	0.9
639.28107	100.0
640.28424	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	639.1916
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03920	0.3
55.01863	0.2
55.05509	0.3
57.03428	1.7
61.02915	0.4
65.03950	0.3
67.05501	0.4
69.03440	1.8
69.07074	0.3
69.97977	0.5
69.98385	1.0
71.04990	9.3
73.02904	0.4
75.04466	0.3
79.05476	0.4
81.03434	1.1
81.07046	1.0
83.04975	0.8
85.02902	11.6
85.06503	0.3
87.04478	0.3
91.05473	1.1
92.02613	0.5
93.03415	0.4
93.07032	0.7
95.04964	0.4
95.08601	0.6
97.02872	1.2
99.04456	0.4
105.07040	0.3
106.44056	0.2
107.08585	1.6
109.02892	0.5
109.10142	0.5
111.04447	0.6
117.78709	0.2
119.04936	1.0
119.08588	0.6
120.05313	0.3
121.02882	0.6
121.10121	0.7
123.08084	0.2
125.02325	0.3
127.03896	1.0
129.05496	2.7
129.06953	0.2
131.04967	0.4
131.08578	0.2
133.10178	0.5
135.11674	0.3
137.06023	0.4
140.04659	0.7
145.04970	0.6
147.04424	1.2
147.06522	0.8
148.04959	0.2
149.02414	0.2
149.09607	0.3
151.03903	0.9
153.01787	0.3
153.05429	0.5
157.10240	0.3
167.03419	7.1
167.07080	0.3
174.32510	0.2
175.03917	1.6
176.04373	0.2
177.05502	0.3
185.00366	0.2
191.14290	2.3
192.14638	1.0
193.05028	0.2
207.06535	3.6
208.06903	1.3
215.07018	0.3
217.05002	0.7
229.04919	0.2
231.06598	0.7
233.04333	0.4
242.05653	1.1
243.06500	1.9
245.04350	0.5
259.06027	0.9
260.06863	1.4
271.06015	1.6
284.03262	0.2
285.04053	0.4
287.05322	1.6
288.06250	3.8
298.04733	0.5
299.05505	2.3
300.06244	0.3
316.05762	12.3
317.06421	0.3
331.08109	100.0
332.08411	1.5
373.09076	0.2
383.14908	0.3
413.06454	0.3
431.07504	0.3
459.07214	1.8
459.17453	0.3
477.07956	0.4
542.65863	0.3
639.32367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29449	1.1
55.05507	1.8
57.03425	3.0
61.02934	1.6
62.25491	1.1
67.05508	1.9
69.03426	4.7
69.17565	8.0
69.17988	5.4
71.04987	9.5
78.28991	1.4
79.05487	2.4
81.03397	1.7
81.07048	1.6
83.04975	6.6
85.02902	14.9
91.05486	8.6
93.07059	2.1
95.08604	1.9
97.02904	1.7
99.04454	1.8
101.02796	1.1
105.07024	1.8
107.08599	22.7
109.06506	2.0
111.08073	2.6
119.04942	12.4
119.08558	2.2
121.10133	2.9
123.04404	1.5
129.05502	2.5
133.10132	2.2
135.04462	1.5
135.08029	1.5
137.06015	1.3
147.04410	12.4
147.11746	1.7
149.13150	1.8
162.17845	1.2
167.03387	9.3
173.13277	1.5
175.03908	21.8
184.07388	1.3
191.03413	1.3
191.14305	44.6
194.05814	1.9
198.15321	1.3
207.06531	69.1
214.18037	2.6
243.06590	2.2
248.08977	1.7
250.07069	2.4
250.10741	4.2
250.64391	1.4
260.06775	2.3
271.05975	2.3
284.02884	1.3
287.05524	2.2
288.06256	4.3
299.05502	3.0
302.04291	1.8
313.03427	2.1
316.05722	13.9
331.08105	100.0
351.10797	1.6
369.11914	6.7
369.16116	1.6
412.16147	1.3
413.06644	1.8
430.16879	2.5
459.07239	8.4
477.07947	3.3
620.30249	2.1
638.30902	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	637.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.5
55.01864	15.4
55.05508	30.5
57.03436	35.7
57.07070	51.9
65.03934	4.8
67.05505	96.5
69.03409	4.2
69.07057	27.6
69.33399	28.7
69.33829	10.5
71.08636	27.2
73.81668	3.6
79.05489	47.1
81.03412	16.4
81.07053	84.5
81.07528	6.3
83.01321	4.0
83.04984	28.3
83.08611	20.1
85.06533	8.4
85.10177	16.3
91.05475	71.1
93.07044	53.2
95.04968	77.7
95.08602	58.3
97.02891	6.5
97.06537	8.9
97.10152	8.6
103.05505	8.4
105.07032	48.9
107.04957	79.8
107.08583	32.6
109.06526	21.4
109.10171	23.8
111.04436	17.9
111.08107	7.2
112.05241	9.5
113.05993	6.1
115.05453	9.7
117.07000	24.0
119.04954	13.0
119.08591	26.2
121.06489	18.1
121.10124	13.3
122.07303	31.1
123.08025	13.8
123.11745	8.2
125.06009	5.9
128.06158	7.9
129.06961	19.5
131.08554	26.1
133.06480	31.0
133.10147	21.6
135.08037	14.0
135.11679	11.3
136.08730	4.4
137.05942	4.1
137.09633	5.3
141.07013	9.9
143.08527	15.8
145.06563	18.2
145.10138	19.6
147.08046	39.8
147.11656	11.0
148.08907	3.9
149.09593	8.9
151.07597	8.1
155.08463	4.9
157.10147	6.4
159.08116	5.7
159.11707	8.6
161.09598	34.8
162.10292	5.2
163.11124	12.0
169.10139	9.0
171.11720	6.1
173.13208	6.7
175.11214	8.0
177.12801	9.7
187.11252	7.2
187.14827	9.9
203.14272	6.3
205.15884	6.6
217.31660	4.1
233.15352	23.8
251.16479	5.6
261.14743	7.2
273.18546	21.6
289.17938	7.2
290.18808	25.5
291.19458	5.0
307.19028	7.7
313.27335	100.0
313.30795	7.0
316.78836	4.4
325.19980	5.6
335.18283	5.6
347.22412	4.4
352.43542	4.4
381.22699	34.1
545.41986	27.7
573.41241	30.1
619.45691	75.3
637.25940	4.9
637.40601	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	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
53.04171	0.7
55.01872	4.2
55.05509	6.8
57.03436	18.1
57.07074	27.8
61.02925	56.8
65.85733	0.7
67.05502	13.8
68.33980	0.7
68.59688	0.7
69.03426	24.9
69.07066	7.5
69.41146	6.3
71.01340	2.7
71.04974	3.1
71.08250	1.0
71.08632	19.2
73.02918	20.5
75.04469	2.1
79.05488	8.1
81.03419	20.1
81.06600	1.1
81.07056	19.6
81.94704	0.6
83.04971	4.7
83.08621	9.8
85.02901	66.7
85.06546	0.9
85.10171	9.9
87.04446	2.8
89.06026	1.8
91.03953	41.4
91.05463	7.1
93.06574	0.8
93.07053	8.1
95.04952	2.8
95.08606	18.5
96.30849	0.7
97.02890	63.6
97.06509	1.4
97.10161	4.5
98.20788	1.4
99.04455	11.5
101.02386	6.6
103.03934	8.0
103.05489	1.0
103.07589	0.8
105.07029	5.5
107.04942	2.3
107.08579	3.0
109.02865	12.7
109.06525	1.5
109.10155	8.0
111.04424	3.1
111.11744	1.1
115.03944	5.7
117.05491	2.3
117.07043	1.4
119.08568	2.7
121.10108	1.7
123.11723	4.2
125.09661	0.7
127.03912	26.8
129.05504	4.0
129.06966	1.6
131.08556	2.2
133.10135	2.0
135.11681	1.7
137.05907	1.5
137.13214	2.2
139.03894	0.8
143.08543	2.6
145.04953	16.2
147.04387	1.4
147.08070	1.2
147.11694	3.0
149.13185	1.2
151.14856	1.0
155.07037	0.8
157.10097	1.0
159.06523	2.3
159.08084	1.0
159.11702	1.7
161.13284	1.0
163.06017	4.3
163.11241	0.9
171.06512	1.6
171.11647	1.7
181.10193	0.9
183.06548	8.5
197.09590	0.9
201.07573	6.1
207.13708	1.5
219.08551	0.9
221.22742	0.8
227.20042	0.9
239.23686	20.2
249.68002	0.7
257.24762	2.4
264.75256	0.7
281.17465	4.3
313.27359	100.0
314.27756	1.9
341.26932	4.0
344.96442	0.7
355.28363	4.2
359.68835	0.8
367.28592	1.0
383.27982	2.1
385.29584	1.0
397.29462	1.5
413.21512	1.0
421.29324	1.6
439.30508	2.5
457.31650	13.2
475.30597	6.5
482.87485	0.8
559.23682	1.0
619.25421	1.6
619.34760	2.9
637.25989	0.9
637.40411	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	637.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
52.02333	1.7
53.01428	1.7
53.03946	11.7
55.01849	7.4
55.05507	26.0
57.03426	14.5
65.03929	4.6
67.05500	73.1
69.03421	14.7
69.07067	19.6
71.01342	2.4
71.04979	7.8
73.02905	1.9
73.06544	1.7
75.19984	1.5
76.77260	1.6
79.05489	76.3
81.02937	2.5
81.03410	44.6
81.07050	75.5
83.04970	30.6
83.08613	11.3
85.02901	6.1
85.06532	5.8
90.85578	1.6
91.05475	62.9
92.11674	1.6
93.07037	83.6
93.26839	1.8
95.04963	26.2
95.08606	32.9
97.02883	8.3
97.06532	8.7
97.10161	3.5
99.04447	4.2
99.08105	2.2
103.05473	1.7
105.04460	2.9
105.07021	43.9
107.04956	8.1
107.08588	28.6
109.02867	6.7
109.06522	6.7
109.10143	7.0
111.04437	9.0
111.08075	4.8
115.05386	2.8
116.78999	1.5
117.07005	17.5
119.08569	24.8
121.06509	5.8
121.10131	12.3
123.08074	7.9
123.11690	3.9
125.09576	1.8
127.03930	8.1
128.06197	5.1
129.05518	9.4
129.06978	18.8
129.16304	1.5
131.08556	15.1
133.06483	3.7
133.10112	17.8
135.08060	5.6
135.11635	3.9
137.09616	2.4
141.07016	3.2
142.07813	2.4
143.08588	12.0
145.06422	3.0
145.10130	10.3
147.04388	2.7
147.08015	4.3
147.11682	38.7
149.13271	14.9
157.10127	2.6
159.11667	11.3
161.09627	3.5
161.13211	9.8
163.11113	2.8
165.12660	2.1
169.10124	3.7
171.08174	1.7
171.11647	24.9
173.13188	2.7
177.12718	5.2
179.14259	3.2
185.13278	2.1
189.12782	9.4
195.13774	9.1
207.13780	31.1
225.14917	2.9
258.23648	1.6
267.15884	2.3
269.17563	8.4
271.17163	2.6
281.17459	56.8
282.17935	2.5
287.16281	4.0
292.58060	2.0
321.16925	2.8
339.17953	6.3
388.66565	1.7
395.20505	5.5
413.21603	19.4
457.29465	5.5
475.30527	100.0
476.30936	4.9
619.25165	2.9
619.34674	49.4
620.35052	2.6
637.39990	2.4
651.39984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.6
55.01877	9.6
55.05274	2.5
55.05514	28.5
57.03438	20.2
57.07077	2.1
65.03931	6.1
67.05503	95.0
69.03429	25.3
69.06739	2.4
69.07072	30.9
71.04983	9.6
71.08626	1.8
71.51679	3.1
73.02908	2.4
73.06540	2.0
79.05492	90.0
81.03418	55.7
81.07053	99.0
83.04972	33.0
83.08605	18.9
85.02911	16.4
85.06531	5.4
91.05478	76.0
93.07041	100.0
95.01317	2.9
95.04964	30.3
95.08610	47.1
96.05468	2.2
97.02891	14.5
97.06522	13.1
97.10140	4.5
99.04443	6.4
99.08097	2.6
103.05423	3.3
105.07033	58.4
107.04951	16.3
107.07886	3.2
107.08588	46.3
109.02853	7.8
109.06509	11.6
109.10177	10.5
111.04445	4.2
111.08057	8.7
115.05396	4.5
117.07019	22.5
119.04943	3.8
119.08582	28.1
121.06521	9.9
121.10136	22.1
123.04419	3.5
123.08038	6.2
123.11684	3.2
125.05946	2.1
125.09609	3.8
127.03927	10.2
128.06197	7.4
129.05482	5.0
129.07001	17.7
131.04900	5.7
131.08556	22.0
133.06468	5.5
133.10114	22.3
135.08009	5.0
135.11705	11.7
137.05945	3.1
141.06946	3.5
142.07736	2.7
143.08562	17.6
145.06496	6.7
145.10143	14.9
147.04359	3.7
147.08037	7.2
147.11702	28.5
149.05989	2.4
149.09669	3.0
149.13255	26.7
151.45856	2.5
155.08568	3.6
157.10104	9.3
159.08058	4.8
159.11708	12.4
161.09663	4.3
161.13248	13.0
163.11131	3.7
165.12744	2.3
167.08603	4.1
167.14249	2.3
169.10135	4.2
171.08051	3.6
171.11702	24.1
173.04411	7.1
173.13184	3.3
175.07520	3.0
175.11214	3.3
177.12750	8.3
181.10100	3.6
185.09596	5.2
185.13242	3.9
187.11171	3.5
189.12804	11.3
193.12204	2.5
195.13824	12.6
201.12662	2.0
207.13791	24.0
219.13805	2.5
225.14752	4.6
231.13718	2.7
241.15866	3.2
245.15269	3.4
247.16956	2.3
249.14795	2.5
259.16858	2.4
267.15909	4.2
269.15210	5.7
269.17606	33.5
273.14847	3.0
281.17453	37.8
283.15433	2.6
287.16327	11.3
305.17645	2.4
315.15793	2.1
321.17392	2.3
333.16675	3.4
339.17856	5.4
351.17801	2.4
361.19931	1.9
395.20609	2.0
407.20703	2.0
413.21753	15.1
438.21924	2.5
475.30569	94.2
476.30957	6.1
489.31998	4.0
517.31177	2.3
555.32697	7.2
619.34845	23.4
637.31848	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	637.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71763	2.4
53.03957	13.2
53.70630	2.4
55.01856	6.2
55.05512	33.5
57.03442	16.3
57.03662	2.7
65.03918	9.9
67.05136	3.5
67.05505	83.3
69.03431	15.7
69.07078	21.8
70.22817	9.0
71.05000	6.8
79.05492	89.4
81.03415	44.4
81.07054	93.6
83.04980	36.4
83.07569	2.3
83.08624	15.5
85.02885	11.2
85.06559	4.9
91.05479	77.2
92.05801	3.7
93.07043	95.3
94.07339	3.8
95.04958	30.4
95.08604	44.7
97.02894	15.3
97.06510	10.2
97.10152	5.1
99.04424	2.7
105.07024	54.3
107.04939	10.7
107.07898	4.7
107.08585	43.5
108.08948	4.5
109.02894	7.4
109.06507	11.4
109.10167	15.1
111.04431	11.0
111.08043	6.3
117.06992	21.7
119.04924	15.1
119.08575	39.4
120.08906	6.1
121.06448	5.2
121.10125	19.8
123.08041	5.8
123.11706	3.8
125.05949	2.6
127.03884	9.9
128.06245	5.4
129.05444	9.9
129.06995	21.4
131.04868	3.5
131.08565	18.0
133.06473	2.8
133.10132	28.0
134.10464	3.3
135.04292	2.4
135.08058	4.4
135.11674	9.3
137.05919	2.7
143.08560	12.2
145.06490	3.0
145.10101	18.2
147.04414	39.3
147.08063	6.6
147.11685	43.2
148.04723	18.7
148.12050	2.8
149.02345	2.4
149.04938	3.7
149.13249	15.7
155.08514	4.8
157.10106	5.0
159.08177	2.8
159.11699	17.0
160.12045	2.8
161.09613	5.9
161.13266	12.3
163.11098	3.2
171.11708	25.0
173.13258	6.3
175.14799	7.5
176.15155	3.9
177.12747	7.3
177.16396	6.8
187.14888	5.0
188.15179	3.3
189.12694	8.1
189.16347	8.5
190.16707	3.6
193.04909	3.0
195.13797	9.7
199.14809	3.6
201.16399	10.2
202.16705	3.6
203.17978	7.6
207.13771	34.4
213.16504	3.5
214.16698	3.3
215.17897	4.1
220.17781	3.1
221.18024	3.6
263.16626	2.6
267.15994	3.8
269.17514	11.8
279.15857	2.7
281.17493	49.4
322.33508	3.5
339.17993	5.7
391.33255	2.9
395.20517	4.3
408.33554	5.2
409.34018	7.9
413.21564	23.8
423.55817	3.1
437.33780	4.9
454.34219	3.0
455.34567	4.7
457.29581	3.6
475.30518	100.0
476.30948	5.9
619.34778	42.6
620.34973	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	637.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	5.8
53.03937	13.8
53.04179	3.1
55.01857	8.1
55.05270	4.2
55.05508	41.2
57.03429	12.2
57.07064	3.2
59.04987	3.5
65.03930	5.6
67.05501	94.6
69.03430	18.0
69.03738	2.9
69.07069	32.1
70.56676	7.0
70.57043	6.6
71.05000	6.6
79.05485	100.0
81.03416	44.7
81.07050	97.4
83.04984	35.8
83.08604	18.4
85.02915	6.4
85.06523	6.7
91.05475	94.5
93.07039	98.9
95.04975	32.0
95.08597	50.7
97.02894	10.2
97.06556	8.5
97.10162	8.5
98.20818	4.6
98.98458	8.5
99.04442	6.9
99.08036	4.3
102.35481	3.6
103.05453	6.1
105.04515	4.2
105.07028	63.4
107.04946	10.8
107.08584	43.8
109.02866	7.2
109.06509	13.1
109.10144	10.9
111.04399	7.0
111.08035	3.7
117.05034	3.4
117.07018	22.3
119.08577	45.0
121.06496	8.0
121.10138	22.8
123.08069	9.9
123.11697	5.7
127.03889	8.3
128.06212	7.3
129.05476	9.8
129.06995	22.5
131.08545	25.3
133.10112	25.6
135.08020	7.1
135.11676	11.6
141.06972	5.9
143.08521	20.4
145.10110	24.6
147.08038	4.6
147.11694	46.0
149.09589	4.0
149.13274	18.1
155.08537	9.8
157.10114	9.1
157.87997	3.7
159.08096	5.5
159.11667	20.7
161.09564	6.1
161.13254	14.6
163.03908	11.6
163.11156	4.0
164.04230	6.4
167.08510	4.1
169.10101	5.0
171.11676	34.4
173.13232	9.5
177.12772	5.8
177.16338	2.9
181.04950	5.9
185.13205	6.0
189.12723	13.3
195.11789	4.0
195.13744	6.1
197.13383	4.0
207.13773	32.1
209.13293	5.6
211.14806	3.3
213.16399	3.2
225.14932	4.1
241.19528	9.0
242.19812	3.5
259.20496	4.0
269.17462	12.6
281.17480	56.6
287.16486	3.5
339.18091	5.2
380.80835	3.4
395.20700	5.2
404.06039	3.7
413.21637	23.8
439.34583	4.0
447.32346	11.2
465.33286	7.4
475.24091	5.8
475.30566	85.4
521.35999	12.8
539.37195	56.5
540.37427	5.6
619.34454	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01864	8.9
55.05508	26.8
57.03440	15.3
59.04992	2.5
61.02918	2.0
64.83502	1.6
65.03925	4.1
67.05501	63.9
68.05830	4.1
69.03422	24.9
69.04649	1.7
69.07072	14.7
69.39771	10.5
69.40178	3.5
71.01336	2.2
71.04999	9.6
73.02912	2.0
73.81959	1.6
77.03883	2.1
79.05491	40.7
80.05819	2.1
81.03414	100.0
81.07050	47.7
82.03759	3.1
83.04984	23.6
83.08618	21.1
84.08949	1.8
85.02900	25.4
85.06529	4.9
86.03268	2.2
91.05474	43.2
92.05751	2.3
93.07045	36.9
95.04958	28.6
95.08607	21.5
97.02879	21.1
97.06517	10.1
97.10161	14.0
98.20781	2.8
99.04469	8.1
99.08064	1.8
103.05433	2.6
105.07027	25.7
107.04951	16.7
107.08598	21.2
109.02885	20.0
109.06525	7.6
109.10149	43.1
110.10477	6.6
111.04443	14.5
111.08073	12.0
113.05996	1.9
115.05441	3.2
117.07001	7.0
119.04947	3.6
119.08575	22.6
120.08885	2.1
121.06503	10.5
121.10136	15.1
123.04436	6.6
123.08056	6.8
123.11704	4.2
125.05981	3.7
125.09621	8.1
127.03891	12.1
129.06975	9.6
131.04941	3.1
131.08591	15.9
133.06488	5.6
133.10153	12.1
135.04451	4.5
135.08051	8.5
135.11658	10.5
137.05989	4.1
137.09601	7.4
141.07024	2.8
142.07799	4.0
143.08528	5.8
145.06483	6.1
145.10120	13.0
147.04376	4.2
147.08047	6.9
147.11667	12.8
149.05928	2.4
149.09641	8.5
149.13333	2.1
151.11206	2.1
153.12752	6.4
154.36902	1.9
155.08582	3.4
155.10628	2.3
157.10124	9.8
159.08035	2.2
159.11659	4.0
161.05951	3.8
161.09647	2.8
163.11183	13.1
165.05566	2.1
165.09189	2.5
165.12701	4.9
167.10970	1.7
169.10095	2.2
171.08066	2.0
171.11731	2.2
173.04443	5.7
173.09593	4.1
173.11697	7.7
175.11211	9.8
181.04973	2.1
181.12279	6.1
183.06563	1.9
185.09561	2.2
185.13303	1.9
187.07655	2.1
189.09244	2.2
189.11157	5.2
189.12724	2.4
191.10652	8.0
191.14357	3.1
193.12204	28.6
194.12622	3.6
199.06065	2.3
209.11626	9.5
211.13283	34.9
212.13701	8.3
227.12698	14.0
229.14294	22.4
229.74632	1.8
230.14609	12.3
247.13251	6.8
249.14760	3.6
259.09781	1.8
261.14871	2.1
265.14398	2.5
267.15897	12.0
268.16187	2.8
273.14941	2.3
283.15347	4.2
285.17026	11.9
286.17291	9.7
291.15918	2.1
353.15903	4.3
375.18024	2.4
383.21964	3.7
393.18976	5.0
401.23154	2.1
409.18677	2.2
411.19998	2.0
421.25870	7.0
422.25983	4.1
437.61758	1.6
439.26831	13.4
440.27213	39.7
457.25641	1.9
465.28104	3.9
475.26868	9.9
493.27859	6.3
619.30902	8.6
637.32098	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.3
55.01870	10.7
55.05512	26.6
56.10558	1.1
57.03432	11.1
57.07064	1.4
59.04995	3.3
61.02908	1.7
61.72374	1.2
65.03937	2.0
67.05505	33.3
67.11473	1.0
69.03430	22.8
69.07070	11.5
71.01314	1.4
71.04995	9.2
73.02900	1.5
79.05493	37.7
81.03418	100.0
81.07056	39.6
81.13645	1.0
83.01349	3.8
83.04981	26.1
83.08617	21.8
85.02905	17.6
85.06540	2.9
87.04475	1.1
91.05477	30.8
93.07042	32.8
95.04972	27.1
95.08601	16.5
97.02892	19.1
97.06535	8.4
97.10160	7.9
99.04445	8.2
103.05454	1.0
105.07034	25.3
107.04952	13.7
107.08590	19.7
109.02879	25.4
109.06516	7.2
109.10145	9.1
111.04443	18.3
111.08066	11.1
113.06037	2.6
115.05436	2.6
116.06232	1.1
117.07027	11.9
119.08588	19.2
119.68996	1.1
121.06516	6.6
121.10135	14.4
123.04443	4.7
123.08043	7.3
123.11715	3.6
125.06008	1.5
125.09643	8.1
127.03924	20.0
128.04263	1.2
129.05493	2.3
129.06961	7.2
130.07838	1.4
131.04926	1.3
131.08572	10.1
133.06471	4.2
133.10152	8.3
135.08055	4.3
135.11685	12.0
137.06013	1.6
137.09569	2.0
137.23419	1.1
142.07745	1.4
143.08566	2.3
145.06509	3.0
145.10120	14.4
147.04430	2.9
147.08058	4.3
147.11685	15.1
149.06001	1.8
149.09628	4.8
151.04005	1.2
151.11145	1.8
153.12730	9.6
155.08560	2.2
157.06439	1.3
157.10115	10.3
159.08014	1.2
159.11737	1.3
161.06006	1.9
161.09637	2.1
163.11183	21.5
165.12761	4.0
173.04469	3.4
173.09546	5.9
175.11172	9.7
177.98471	1.0
181.12236	9.7
185.13461	1.1
189.09299	1.3
189.11208	3.5
189.12689	1.7
191.10657	8.3
193.12244	31.9
194.12538	1.3
205.12308	1.5
209.11731	7.3
211.13280	55.8
215.10791	1.3
223.13313	1.3
227.12743	21.0
229.14308	1.8
231.13867	1.9
235.13420	1.9
245.15594	1.2
247.13251	1.4
249.14859	3.3
259.13416	1.4
265.14371	2.2
267.15912	11.2
273.14932	2.2
283.15427	13.7
285.17038	2.7
289.14386	1.9
300.13663	1.3
301.14423	2.7
309.17084	1.3
319.15530	1.8
337.16513	4.7
353.15829	8.9
355.17667	8.9
356.07834	1.1
383.22366	3.5
393.18994	1.3
401.22971	1.8
409.18625	3.8
411.15149	1.3
411.19986	6.0
427.19489	2.1
457.25952	3.3
467.07190	1.6
475.27023	10.8
493.27896	15.2
563.28278	1.4
619.31238	7.3
637.32111	80.3
638.32971	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	637.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60314	2.5
67.05526	3.7
70.76579	7.7
81.07055	3.7
118.13374	2.8
150.05162	2.6
301.22192	2.9
337.64771	2.9
405.20798	9.1
406.21680	7.1
414.18652	4.0
415.19272	7.4
419.22601	3.7
420.22879	5.3
421.24042	9.2
429.20984	15.1
430.21609	4.3
431.22525	3.5
433.19910	3.9
443.22375	7.5
444.22696	3.3
445.20178	6.1
458.24380	3.7
459.22256	5.8
460.22513	7.7
461.20056	8.4
472.22684	7.2
476.21933	5.1
485.23410	8.9
488.22229	6.9
503.24585	17.3
535.27197	22.2
545.25366	67.5
546.26038	3.0
563.25598	4.3
573.24683	13.9
605.27588	64.4
606.28052	4.8
637.30219	100.0
638.30316	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21893	1.1
70.75658	2.6
70.76004	2.0
91.05492	1.8
93.07043	1.7
95.08593	1.3
326.40726	1.3
373.69330	1.3
388.17639	1.8
389.17737	4.8
390.18481	1.8
402.18604	1.5
403.14667	1.3
403.19565	5.6
404.20108	7.1
405.20499	1.4
408.89462	1.6
416.19815	2.6
417.20865	8.0
418.21463	4.5
419.22354	5.4
431.22711	7.0
432.23248	2.0
433.24094	12.0
445.23901	1.7
446.24109	1.6
447.26364	10.7
448.19440	1.3
448.25891	3.3
459.21936	3.6
461.19696	3.0
462.20721	7.9
463.21182	1.7
473.23630	2.4
474.24362	2.9
477.22861	31.8
478.23633	2.5
487.21045	1.5
491.20374	33.8
501.22571	8.5
502.23303	4.2
503.20667	3.0
505.25934	5.5
506.26767	5.4
521.22028	1.7
533.25452	5.9
534.26123	3.7
535.23145	5.5
550.25714	43.9
551.26062	3.4
559.23730	1.7
565.27759	3.7
577.24213	7.6
578.25067	3.7
593.27484	5.1
619.25507	2.3
637.26489	100.0
638.26953	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	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94925	0.2
67.05447	0.3
67.40678	0.2
71.42836	0.5
120.82694	0.2
131.95808	0.2
182.09644	0.5
209.10646	0.4
232.09915	0.3
336.15002	0.4
352.13708	0.3
352.23651	0.3
363.16229	0.4
374.16528	0.6
375.17148	0.5
376.16937	0.4
377.17599	1.0
378.18555	0.6
379.19568	0.4
385.14203	0.6
386.15170	0.9
387.16086	0.8
388.17847	0.5
390.19046	0.4
391.19373	1.2
392.19800	0.8
393.20779	1.9
399.16235	1.6
400.16782	2.1
401.17746	2.9
402.18481	0.8
403.19534	0.6
405.16449	0.4
405.21030	0.4
406.21454	0.4
407.22269	2.8
411.16345	0.7
412.16992	0.6
413.17621	2.5
414.18506	4.7
415.19302	7.9
416.19852	1.3
417.20795	0.9
419.18390	0.6
421.20044	2.0
425.17664	0.9
427.14734	0.6
427.19159	1.3
428.20386	3.5
429.15839	0.5
429.21252	7.0
430.22284	1.9
431.18472	0.8
433.20221	0.5
435.21716	2.4
436.22467	0.8
439.19125	0.9
441.17163	1.2
442.17099	1.3
443.18243	2.9
443.22556	3.4
444.18597	4.6
445.20053	2.4
446.21359	0.5
447.17752	0.6
447.22745	0.4
455.18835	1.2
456.19653	1.5
457.20590	4.7
458.21118	4.1
459.17227	0.3
459.22729	0.5
461.19418	0.5
462.20544	0.4
463.20892	0.3
467.19507	0.3
469.16653	0.6
470.21521	0.4
471.22284	7.3
472.23407	4.4
473.19452	4.5
474.20547	1.3
475.21350	0.5
476.18542	0.5
484.19080	1.0
485.19876	2.5
486.20483	6.1
487.21371	2.3
488.22778	1.3
489.22540	1.2
490.19629	3.0
491.20529	0.6
498.20410	0.3
499.21371	9.2
500.22638	3.2
501.22836	0.9
502.19354	0.6
503.25024	3.3
504.20856	0.4
513.19208	0.8
514.20001	0.9
515.20593	0.4
516.21930	1.5
517.22150	4.0
521.25317	0.6
527.21002	2.4
528.21521	0.9
529.22748	0.4
530.22876	0.9
531.23932	11.4
532.24329	0.4
541.22198	0.7
543.24286	1.4
544.21210	0.4
545.21960	1.0
549.24884	1.3
559.23358	97.5
560.23657	3.4
577.24725	0.5
578.25305	0.4
587.22900	17.1
588.23792	0.5
605.23846	0.7
619.25452	100.0
620.25653	3.4
637.26447	11.5
638.26440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07040	0.5
69.29952	3.1
69.30360	1.1
69.52136	0.4
78.66631	0.5
79.03873	0.4
81.06992	0.5
83.08641	0.5
89.74158	0.4
91.05414	0.5
91.19433	0.4
93.07018	0.5
109.10092	0.5
136.79617	0.4
145.10068	0.5
182.09668	0.8
203.63402	0.5
209.10628	0.6
221.10652	0.8
223.12122	0.5
235.12206	0.7
249.10110	0.6
254.91753	0.4
362.15543	0.5
363.16013	1.0
374.16528	1.0
375.16470	0.6
376.17090	1.4
377.17725	2.7
378.18384	2.0
385.14261	0.6
386.16010	1.5
387.16162	1.4
388.17554	0.8
389.17737	1.2
390.18655	1.3
391.19223	5.3
392.20157	3.2
393.20764	4.3
398.15689	0.6
399.16248	2.1
400.16843	2.7
401.17810	4.4
402.18765	1.0
403.15170	0.6
403.19656	0.7
405.16327	0.8
405.20816	1.8
406.21393	1.2
407.22372	7.0
408.22470	0.6
411.16400	0.7
413.17731	2.3
414.18546	3.6
415.19473	7.9
416.20190	0.9
417.16483	1.2
417.21243	1.1
418.18188	0.8
419.18585	1.7
420.18994	0.8
421.20178	5.6
425.17792	0.9
427.19199	1.8
428.20547	3.3
429.15881	0.8
429.21411	6.8
430.22235	2.1
431.18625	1.7
432.19470	0.8
433.20609	1.3
434.21146	0.8
435.21680	4.2
436.22479	1.7
441.17023	1.1
442.17526	1.1
443.18298	2.9
443.22586	3.1
444.18735	3.1
445.20667	3.8
446.21478	1.2
447.18182	2.4
448.18753	0.7
449.19592	0.5
456.19571	1.4
457.20648	3.8
458.21283	3.1
459.17676	3.0
461.19141	2.7
462.20169	0.9
463.20944	1.4
469.16428	1.0
470.17471	1.4
471.22440	5.6
472.23288	3.4
473.19653	5.1
474.20670	2.6
475.16513	0.8
475.22025	1.4
481.19922	0.5
484.18988	1.0
485.20065	4.2
486.20413	4.6
487.21786	2.8
488.21936	1.5
489.18915	2.3
489.23148	2.3
490.19452	4.1
491.20795	1.3
499.21442	8.3
500.22760	2.4
501.18851	1.5
502.19907	1.6
503.19684	1.1
503.24417	2.2
504.21286	0.7
513.19104	5.8
514.19843	1.1
516.21222	1.7
517.22357	14.5
517.30127	0.7
518.20886	0.7
519.20386	1.0
521.25348	1.7
527.20837	3.4
528.21307	1.0
529.22021	1.9
531.24426	10.6
539.39343	0.6
541.22485	0.7
543.23755	1.3
545.21747	1.1
549.24982	6.5
559.23395	71.6
560.23621	2.1
573.21252	0.7
577.24194	3.7
578.25110	0.9
587.22839	14.1
588.23181	0.8
591.26074	5.1
605.24030	8.6
609.27045	0.9
619.25494	76.2
620.25568	1.8
637.26526	100.0
638.26984	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	636.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01866	1.8
55.05511	11.5
57.03439	10.8
57.07079	2.0
59.04992	2.1
61.02910	4.3
65.03931	1.7
67.05503	59.6
67.92206	1.1
69.03442	4.5
69.07064	3.6
70.64116	1.4
70.64466	2.0
71.04997	4.8
73.02918	2.2
73.06532	1.0
79.05489	14.6
81.03418	33.8
81.07050	23.8
83.04977	10.4
83.08617	14.1
85.02437	1.7
85.02903	17.9
85.06540	2.2
91.03933	1.3
91.05475	16.7
93.07041	10.5
95.04961	14.9
95.08600	9.1
97.02896	3.8
97.06525	2.5
97.10168	2.3
101.35135	1.1
105.07021	12.2
107.04948	4.2
107.08611	6.6
109.02871	2.5
109.06513	3.2
109.10153	50.0
111.04478	1.5
111.08080	6.2
113.06001	1.8
115.05464	1.0
117.06981	1.9
119.08571	12.7
121.06546	1.6
121.10178	4.6
123.08051	1.5
123.11680	1.2
125.09647	1.8
127.03930	1.2
129.07007	5.7
131.08548	5.5
133.06454	2.2
133.10150	5.9
135.07967	1.0
135.11740	1.3
137.09593	3.8
142.07762	2.2
145.10051	2.3
147.08037	2.1
147.11661	8.6
149.09625	3.1
155.10632	2.8
157.10118	6.8
163.11121	1.8
165.12762	1.7
173.11731	13.8
175.11160	7.8
188.16934	1.1
193.12234	22.8
193.13901	1.8
211.13287	39.1
211.15302	1.9
227.80504	1.0
229.14346	59.9
243.93871	1.0
249.14935	1.2
267.15924	15.0
278.30109	1.0
285.16959	36.2
421.25827	17.5
426.12033	1.2
430.12738	1.0
439.26898	100.0
481.93286	1.0
583.31189	1.2
637.32422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
53.56962	0.8
55.01853	1.0
55.05505	6.2
57.07058	1.7
65.03907	0.9
67.05496	8.7
69.07066	9.7
71.52213	1.6
77.03952	1.0
79.05490	7.3
81.03410	1.3
81.06584	1.7
81.07048	17.0
83.04976	0.8
83.08616	7.7
89.03911	6.6
91.05462	8.1
93.06487	1.3
93.07038	16.1
95.04958	3.2
95.08602	28.9
97.02905	1.0
97.10146	2.8
97.10734	0.8
98.25539	0.8
103.69275	0.8
105.06400	1.5
105.07028	16.4
107.04951	3.1
107.08590	26.1
109.10151	14.8
117.03365	6.8
117.06998	2.9
119.08568	30.4
121.10141	19.9
123.08050	1.1
123.11713	11.7
125.09631	1.0
129.06964	2.2
131.08566	6.3
133.10121	19.0
133.22169	0.9
135.04417	18.1
135.11671	14.1
137.09589	1.1
137.13234	3.9
143.08568	4.8
145.02827	15.6
145.10107	13.1
147.04410	1.2
147.11662	14.4
149.13234	10.0
153.09087	1.4
155.08551	1.8
157.10159	4.1
159.11682	11.3
161.13249	11.3
163.03889	100.0
163.11177	1.3
163.14838	5.9
164.04308	1.0
169.10150	1.4
171.11667	3.2
173.13255	6.7
174.14023	1.0
175.14809	13.9
177.16359	15.9
181.04936	22.2
181.06528	1.3
183.11758	2.3
185.13220	1.9
186.05482	1.0
187.14781	6.1
189.16370	21.6
191.17969	7.2
197.13306	2.3
199.14832	2.1
201.16379	18.5
203.17932	28.1
205.15903	5.0
205.19453	1.3
207.17400	2.6
211.14793	1.6
213.16342	6.0
215.17934	19.1
217.15938	1.0
217.19499	2.8
222.07588	1.0
225.16422	2.0
227.17961	1.8
229.19446	1.6
235.16876	4.0
239.17935	1.1
241.19395	2.1
243.20999	2.5
247.16907	8.7
249.18495	2.8
253.19484	1.6
255.21046	1.2
259.16913	1.0
261.18469	12.0
267.21069	1.5
269.22617	1.8
287.19922	1.1
295.24170	1.8
299.19974	1.8
301.21616	1.6
306.67862	0.9
315.23083	1.4
321.25516	1.0
329.24744	1.3
331.20370	1.0
349.21622	1.4
349.28970	1.3
355.26260	1.6
365.31961	1.9
391.33563	6.9
394.28619	1.6
409.30408	1.0
409.34744	10.1
411.32492	10.1
420.94147	1.1
423.25073	1.0
437.28024	1.9
437.34113	35.7
455.35605	1.4
617.37946	2.0
635.40289	10.6
636.39642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00201	0.9
53.03913	1.6
55.05518	6.7
56.92753	1.0
57.07059	3.0
59.65282	1.0
60.61797	1.0
62.01709	0.9
67.05505	10.6
67.32214	0.9
69.07066	11.9
71.52324	1.1
71.52743	2.0
79.05482	9.3
81.03416	2.0
81.07053	22.3
83.08614	8.3
85.06525	0.9
89.03907	5.4
91.05477	9.6
93.07043	17.9
95.04946	3.6
95.07995	2.0
95.08604	36.2
97.10171	1.9
105.07029	16.1
107.04948	3.7
107.08585	24.9
109.06516	1.4
109.09455	1.8
109.10142	15.1
109.10843	1.4
117.03373	7.0
117.07021	2.7
119.05009	1.0
119.08563	18.5
121.09347	1.5
121.10140	21.3
123.11699	10.1
129.07010	2.2
131.08553	7.9
133.10127	14.9
135.04427	15.8
135.11685	17.6
137.09543	1.1
137.13264	8.7
143.08545	4.5
145.02835	13.1
145.10086	10.5
147.04413	2.8
147.08011	1.1
147.11662	13.2
149.13248	19.0
151.14816	2.1
155.08536	1.5
157.10129	3.8
159.11691	5.7
161.13217	7.9
163.03894	100.0
163.14796	3.4
169.10098	1.3
171.11674	5.8
173.13228	5.6
175.14809	7.8
177.16357	20.5
181.04965	24.7
183.11771	1.6
185.13235	3.7
187.14822	8.4
189.16388	12.2
191.17923	5.3
195.11642	1.4
197.13106	1.4
199.14796	5.1
201.16360	9.9
203.17931	25.4
205.15933	1.6
211.14842	1.2
213.16406	7.4
215.17998	6.6
217.19379	1.9
219.13911	1.1
219.17413	1.4
227.18118	1.3
232.00720	1.2
233.15338	1.5
235.17017	1.2
239.17950	2.2
241.19638	6.3
241.21654	1.4
243.21111	1.5
247.16731	1.2
249.18581	1.7
253.19589	2.1
255.21025	2.7
259.16931	5.4
267.21039	1.6
275.20389	1.5
285.18680	1.7
287.20016	1.9
299.19907	1.3
313.21576	1.5
355.26175	2.0
391.33313	7.0
409.34622	6.5
411.32458	4.1
437.34125	21.8
455.35095	3.1
635.40680	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	635.3942
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.03954	0.8
55.05496	4.6
57.07061	2.3
62.51846	0.7
67.05505	7.9
69.07066	8.6
69.56305	1.4
69.56699	5.3
79.05483	6.1
81.07054	15.3
83.04941	0.9
83.08622	7.6
89.03915	6.1
89.06051	1.1
91.05473	7.9
93.07035	14.0
95.04967	1.5
95.08607	25.0
97.10172	1.4
103.05476	0.7
105.07031	17.4
105.07716	1.6
107.04949	3.3
107.08585	21.7
109.06533	1.6
109.10149	16.7
110.10554	0.7
111.08063	0.9
117.03386	7.3
117.07014	3.7
119.04938	2.2
119.08581	29.5
121.02868	2.6
121.06449	1.0
121.10143	21.3
123.11700	8.3
129.07033	1.4
131.08571	6.0
133.10129	22.4
135.04411	19.6
135.10695	1.5
135.11687	16.2
137.09593	0.8
137.13245	2.9
139.03896	0.9
139.07533	0.8
140.70000	0.7
143.08534	3.1
145.02852	13.1
145.10115	13.7
147.04402	6.9
147.11687	19.5
149.09589	0.8
149.13268	10.1
151.14844	1.4
153.09035	1.2
155.08611	0.8
157.10118	3.3
158.10857	1.3
158.97157	0.8
159.11656	11.0
161.13258	13.2
162.10350	0.8
163.03900	100.0
163.14796	8.6
164.04205	1.6
165.05513	1.7
169.10049	0.8
171.11668	1.7
173.13243	6.9
175.14821	12.9
177.16388	15.6
179.10645	1.2
181.04947	23.7
183.11702	1.0
185.13242	2.7
186.05498	1.3
187.14803	8.4
189.16394	27.9
191.17950	5.6
199.14842	3.5
201.16394	24.3
203.17955	31.9
205.15901	4.1
207.17468	4.8
211.14841	1.0
213.16371	7.8
215.17943	17.0
217.19492	2.3
219.17372	1.1
225.16394	1.0
227.18008	2.1
229.19568	2.5
233.15390	1.1
235.16942	3.1
239.17940	1.8
241.19525	4.1
243.21071	3.0
243.26457	0.9
247.16872	4.5
249.18433	2.4
253.19456	2.0
255.21053	2.4
259.16849	2.8
261.18497	6.8
267.21078	2.2
269.22559	1.3
287.20074	1.0
299.19861	1.2
301.21683	1.0
309.25836	0.9
349.28790	1.4
365.32092	0.9
375.98837	1.0
391.33688	8.8
409.34610	12.7
411.32529	5.8
425.34213	2.6
435.32419	1.0
437.34158	31.3
438.34219	1.0
451.10864	0.8
455.35236	1.1
526.40405	0.9
589.38477	2.2
635.40027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3938
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03941	0.9
55.05504	2.5
57.07041	0.5
65.03925	1.6
67.05495	4.7
69.07060	2.6
71.04980	0.5
71.52170	0.7
71.52550	0.5
79.05473	3.9
81.03408	1.7
81.07056	6.9
83.04973	2.1
83.08599	2.1
91.05476	18.6
93.07037	7.5
95.04958	1.8
95.08600	11.3
97.06521	1.4
97.10158	0.9
101.67909	0.4
105.07014	7.5
107.04957	0.9
107.08582	10.7
109.06484	0.9
109.10145	5.7
111.08118	1.0
117.07005	2.1
119.04935	28.3
119.08562	13.1
120.05217	0.5
121.10149	7.6
123.08051	1.3
123.11689	2.9
125.09624	2.4
128.06264	0.5
129.07016	0.9
131.08568	4.0
133.06497	0.5
133.10123	8.4
135.08089	0.6
135.11690	4.5
137.09621	0.6
143.08549	2.7
145.09044	0.2
145.10107	9.6
147.04398	100.0
147.11661	4.3
148.04787	0.6
149.09567	1.0
149.13292	2.2
151.11116	0.9
155.08569	0.7
157.10123	1.8
158.10838	0.6
159.08159	0.6
159.11685	7.1
161.13260	4.2
163.07484	0.6
163.11200	0.7
163.14798	1.9
165.05441	1.0
167.14371	0.5
171.11694	1.6
173.13260	4.5
175.14830	4.5
177.12775	0.7
177.16359	2.0
183.11748	0.7
185.13234	1.0
187.14810	8.9
189.16406	6.6
191.14314	2.6
191.17917	3.3
197.13316	0.9
199.14815	2.2
201.16377	9.9
203.14264	0.6
203.17990	3.2
205.15857	1.1
207.17519	0.7
211.14857	0.5
213.16376	3.7
215.17981	4.1
217.15865	0.9
217.19577	1.1
219.17422	6.4
227.18018	0.9
229.15901	0.6
229.19542	0.7
231.17462	0.6
233.07854	0.5
233.18864	1.0
235.16904	4.8
241.19560	1.4
247.17004	4.6
255.21121	0.5
261.18546	2.0
267.21048	1.4
275.20090	0.5
311.23993	0.7
327.23477	0.6
389.32053	2.1
407.33078	10.2
409.34827	0.8
423.32306	0.6
425.34097	1.3
431.28064	0.5
434.11221	0.5
435.32565	3.5
443.35388	0.7
453.33685	6.1
471.34790	1.0
635.34283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.394
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	0.8
55.05508	4.1
57.07066	1.5
65.03931	1.9
67.05497	6.7
69.03401	1.1
69.07066	5.0
69.40035	3.2
69.40456	1.9
75.11778	0.7
79.05478	4.1
81.03404	1.3
81.07053	13.5
83.04976	4.2
83.08615	3.3
85.02906	0.8
85.06509	0.8
91.05478	17.5
93.07040	12.3
95.04971	2.9
95.08606	17.4
97.02889	1.4
97.06565	1.0
97.10168	1.6
99.08065	1.2
105.07031	13.1
107.08591	19.3
109.06494	1.8
109.10159	10.4
111.08072	2.0
117.07010	2.6
119.04940	26.5
119.08578	22.2
121.10145	14.3
123.08096	1.9
123.11694	4.3
125.09641	5.2
129.07001	1.7
131.08591	8.3
133.10117	16.4
135.11687	7.1
137.09628	1.6
142.07858	0.9
143.08562	3.8
145.10127	16.1
147.04404	100.0
147.11681	8.6
148.04686	1.2
149.09558	0.9
149.13257	5.0
151.11174	2.5
153.09142	0.9
155.08536	1.0
156.09355	0.7
157.10126	3.7
158.10912	0.8
159.11688	15.9
161.13249	8.1
163.11165	2.1
163.14842	6.0
165.05478	7.5
171.11673	3.1
173.13248	9.2
175.14816	9.0
177.16397	7.9
178.11940	0.7
179.10641	0.9
183.11749	0.8
185.13281	2.7
187.14822	20.9
189.16380	18.5
191.14362	3.3
191.17914	3.7
193.15790	1.2
197.13237	0.7
199.14815	4.7
201.16374	23.5
203.17940	7.6
205.15865	3.7
207.17447	1.2
213.16389	9.9
215.14328	1.0
215.17960	11.7
217.15858	5.1
217.19455	1.8
219.17412	10.6
220.23097	0.7
221.15450	0.8
225.16351	1.6
227.17912	1.5
229.19487	1.4
231.17505	1.7
233.19014	2.6
235.16924	7.1
239.17972	1.5
240.44615	0.7
241.19495	3.5
243.21037	2.3
247.16934	3.4
249.18492	0.8
253.19505	1.4
255.21147	1.4
257.22650	1.2
261.18439	3.5
267.21082	3.3
269.22656	0.9
281.22656	0.8
293.22672	1.5
333.25519	0.8
349.28610	0.8
389.32004	4.5
395.29230	1.8
407.33075	19.7
408.33160	0.8
409.34747	2.7
423.32663	1.0
425.34045	1.1
435.32462	6.3
438.35645	0.7
453.33624	17.2
454.33575	0.9
635.38965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05511	4.2
55.05734	0.7
57.07060	1.3
62.78992	0.8
65.03922	1.8
67.05499	6.6
69.07059	4.2
70.64267	0.8
70.64607	2.3
71.05054	0.7
79.05485	5.8
81.03425	1.8
81.07049	12.9
83.04972	4.2
83.08601	3.1
85.37775	0.8
87.04504	0.9
87.62275	0.9
91.05478	22.5
93.07037	12.8
95.04959	2.5
95.08606	17.9
95.64664	0.7
96.87238	0.9
97.06533	1.6
97.10172	1.5
105.07025	16.7
107.04943	1.6
107.07879	1.5
107.08582	19.8
109.06527	2.5
109.10155	12.0
111.08062	2.3
117.07011	3.4
119.04935	31.3
119.05797	1.6
119.08570	24.4
119.09384	1.6
121.06519	0.8
121.10142	13.7
123.08037	1.3
123.11699	4.6
125.09614	3.3
128.06195	1.2
130.07841	0.9
130.48039	0.7
131.08549	11.5
133.10129	15.6
135.11682	6.1
137.09563	1.1
143.08551	3.6
144.09308	1.2
145.10112	16.6
147.04402	100.0
147.11687	9.3
148.04707	1.6
149.09648	1.3
149.13263	4.9
151.11211	1.3
155.08540	1.0
157.10120	3.8
159.11679	12.1
161.13216	7.5
163.14778	4.3
165.05484	2.6
169.10179	1.0
171.11726	3.2
173.13263	8.1
175.14815	6.9
177.16342	7.4
179.14229	0.8
181.10121	0.8
185.13264	2.2
187.14816	15.8
189.16370	18.1
191.14383	4.6
191.17975	3.8
193.15791	1.1
197.13213	1.4
199.14841	5.5
201.16368	23.2
203.17899	6.3
205.15840	4.2
207.17549	0.9
213.16368	10.3
215.17889	8.5
217.15880	3.6
217.19507	3.1
219.15280	1.3
219.17409	17.3
225.16225	1.3
227.18016	1.6
229.19461	1.8
231.17432	1.6
233.18974	1.8
235.16876	9.2
241.19498	2.4
243.21049	1.9
245.22844	1.0
247.16936	2.5
249.18404	1.0
251.39381	0.9
255.20996	1.8
261.18494	1.7
267.21036	2.6
275.19965	0.9
280.41910	0.8
285.10117	1.3
382.19815	1.8
389.32025	3.4
407.33078	20.9
408.33264	0.9
409.34772	3.6
434.66489	0.8
435.32690	6.3
453.33646	21.4
454.34201	1.0
543.91370	0.9
551.91083	0.8
635.39008	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	635.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03940	15.9
54.44444	1.6
55.01863	6.5
55.05508	25.8
56.84973	1.3
57.03209	1.2
57.03442	9.7
57.07087	1.6
57.66537	1.3
65.03931	3.7
67.05503	59.3
69.03428	20.9
69.07065	15.1
71.04990	10.8
71.24797	1.2
73.02937	1.7
73.93987	1.4
77.03938	2.2
79.05491	68.7
81.03416	100.0
81.07053	59.8
82.07398	1.6
83.01369	2.1
83.04974	26.0
83.08620	19.0
85.02904	18.5
85.06545	3.8
85.56947	1.4
91.05476	73.7
93.07043	57.5
95.04967	39.8
95.07996	2.1
95.08602	31.5
97.02884	19.5
97.06544	10.3
97.10175	7.6
97.49855	1.4
99.04465	7.8
103.03936	1.7
103.05476	3.1
105.04522	2.2
105.07029	53.0
107.04951	13.5
107.08594	27.9
109.02881	14.4
109.06532	12.4
109.10139	12.3
111.04427	14.8
111.08097	9.8
115.05448	4.4
117.07017	13.2
119.04916	2.4
119.08572	34.5
121.06483	8.2
121.10133	15.7
123.04441	4.8
123.08061	7.2
123.11702	4.5
125.06010	1.9
125.09607	3.7
127.03903	13.0
127.07515	2.4
128.06241	5.0
129.05469	2.1
129.07007	22.9
131.04955	3.3
131.08549	14.8
133.06496	5.2
133.10115	14.9
135.08044	4.3
135.11707	8.3
137.09641	7.0
141.06987	2.5
142.07776	2.8
143.08588	13.0
145.06499	4.1
145.10115	12.2
146.10558	1.6
147.04417	2.0
147.08014	7.1
147.11684	37.4
147.12810	2.2
149.05945	3.7
149.09628	5.6
149.13356	1.9
153.01846	2.0
153.12717	3.0
155.08585	3.2
156.09285	2.0
157.06480	2.9
157.10147	10.7
159.08105	3.2
159.11667	2.8
161.09657	4.8
161.13278	10.2
163.11137	10.1
165.09140	7.2
165.12779	4.7
167.08572	2.4
169.10126	3.3
171.11688	21.1
173.04480	5.3
173.13277	2.2
175.11150	10.1
177.12759	1.9
179.14447	2.4
181.10065	1.7
181.12294	4.9
185.09621	2.3
187.07626	1.7
189.12697	11.8
191.10709	5.9
193.12234	26.8
193.13884	2.0
205.47459	1.6
207.13802	23.3
211.13266	38.3
225.14931	3.5
227.12775	4.8
229.14401	2.9
229.62169	1.7
230.14732	3.6
249.15082	2.0
267.15878	8.6
269.15259	1.9
273.14642	2.0
281.17471	15.9
283.15466	3.1
284.15961	1.7
285.17102	2.6
287.16537	4.4
297.94815	1.4
315.13486	5.1
333.14240	7.2
337.16498	3.8
351.18103	1.9
355.17706	6.2
399.25732	1.9
411.20279	6.7
438.25836	5.5
472.09100	1.6
473.10205	5.3
473.28708	11.7
491.29901	10.7
581.30310	1.9
599.31732	1.9
617.32910	6.4
635.34192	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03944	10.8
55.01863	6.9
55.05510	27.9
57.03436	12.0
59.05005	1.4
65.03935	3.9
67.05137	2.9
67.05499	59.4
69.03426	21.1
69.07065	12.9
70.07616	4.5
71.04987	10.0
77.03929	2.6
79.05009	2.3
79.05489	77.4
81.03413	100.0
81.07048	53.9
83.04983	25.9
83.08614	22.0
85.02903	18.2
85.06538	2.4
91.05476	70.9
93.07039	57.5
95.04961	33.0
95.08603	27.8
97.02883	21.7
97.06544	7.5
97.10167	6.8
99.04449	6.7
99.08138	2.1
103.05518	1.7
105.04517	2.9
105.06315	2.7
105.07025	49.3
107.04955	13.0
107.08590	19.9
109.02866	16.4
109.06501	7.8
109.10162	8.0
109.76530	1.2
111.04441	15.8
111.08075	9.1
113.06039	2.0
115.05476	4.0
117.07010	13.1
119.04922	2.3
119.08579	34.8
120.78683	1.2
121.06516	5.1
121.10117	11.0
123.04455	3.1
123.08044	7.4
123.11744	2.8
125.09643	3.8
127.03912	10.7
128.06233	5.3
129.05510	2.0
129.06993	24.2
130.07756	1.6
131.04918	2.4
131.08560	14.4
133.06500	6.3
133.10127	16.6
135.08049	3.1
135.11700	4.0
137.05984	2.2
137.09608	2.1
141.07010	3.3
142.07808	1.9
143.08537	11.2
145.06488	4.0
145.10103	12.5
147.04405	1.9
147.08031	6.1
147.11676	35.5
149.09625	5.5
153.07027	1.3
153.12737	2.3
155.08565	3.1
157.10118	10.3
159.08086	1.5
159.11685	2.1
161.09607	3.7
161.13245	8.4
163.11140	6.2
165.12775	4.3
169.10153	2.6
171.08119	3.5
171.11668	19.7
173.04454	4.2
173.05922	1.8
173.09641	2.4
173.13283	2.0
175.11179	8.3
177.12730	1.6
179.14346	1.8
179.91357	1.2
181.12292	5.7
183.11728	1.7
185.09720	2.0
189.12737	10.0
191.10710	4.8
193.12234	28.5
193.13876	2.0
195.11736	1.6
199.11186	1.7
207.13756	28.0
211.13263	45.4
225.14745	1.8
227.12708	6.6
249.14902	2.1
260.20932	1.4
263.16479	1.6
267.15823	9.6
269.15311	1.7
281.17401	17.3
283.15427	1.5
285.17059	4.4
287.16422	4.9
301.14316	2.7
303.73828	1.4
309.16837	1.8
319.15350	1.6
321.17291	1.4
337.16580	4.0
343.19156	1.5
351.18173	1.7
355.17499	9.1
389.19684	1.4
393.19272	2.1
407.20599	1.8
411.20306	4.4
453.40622	1.4
461.26920	1.5
473.28909	12.2
484.30832	1.2
491.30026	13.4
529.32727	1.3
571.32910	1.6
581.30719	1.7
599.31409	1.3
617.32953	9.7
635.34198	80.2
636.34540	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	635.2858
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
53.72954	1.4
57.07080	1.9
66.93585	1.3
67.05470	1.6
69.86603	1.1
71.51672	1.6
74.26813	1.3
81.07034	1.8
81.32828	1.2
83.08625	1.6
89.04436	1.4
91.05502	1.6
95.08614	2.6
100.91892	1.4
131.22665	1.3
283.33566	1.5
403.19437	3.4
405.21024	1.8
417.21112	2.1
430.17926	2.4
431.18774	6.1
432.19131	2.1
433.23953	4.1
445.19812	7.5
459.17520	1.8
460.22672	4.3
461.23483	4.5
475.21277	2.0
488.22452	3.7
489.22672	7.6
501.23044	1.8
518.23285	2.1
523.40015	4.0
547.26697	5.5
575.26434	24.0
603.26154	1.6
635.28601	100.0
636.28491	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	635.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.5
54.40943	0.4
55.01875	0.5
56.94721	0.3
69.03423	2.5
70.06570	0.4
71.50700	0.7
79.01846	3.2
81.03422	1.4
85.02890	0.6
86.06056	0.4
87.10555	0.4
91.05478	0.6
95.11082	0.4
97.02889	1.5
103.05465	0.9
107.01312	0.5
109.02907	0.8
111.04443	0.5
119.04940	0.6
123.04407	0.6
125.02329	1.9
127.03936	2.7
131.04927	0.8
135.04381	0.6
139.03917	0.9
143.03394	4.0
147.04402	1.9
153.01819	55.4
153.02849	2.7
153.64980	0.4
154.02184	0.6
157.02820	1.4
157.04984	0.4
163.03879	1.1
171.02820	0.6
175.03844	2.1
185.02318	1.7
187.03857	4.8
191.03337	0.6
203.03401	3.4
213.01846	2.8
215.03351	4.2
219.02972	0.7
219.08054	0.4
231.02881	18.2
233.04391	0.6
233.58139	0.4
241.01324	3.2
247.02409	0.7
259.02359	31.6
260.02945	0.6
275.02048	0.4
276.02661	0.5
277.03406	100.0
278.03821	0.9
282.36713	0.4
297.06116	0.7
303.01318	6.6
304.01773	0.4
315.07083	1.1
321.02457	1.6
473.04047	0.5
580.69849	0.4
617.07300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02006	1.9
61.93187	2.0
65.57415	2.2
69.03432	4.4
71.50799	2.6
81.03403	3.0
85.02921	12.4
86.19841	2.1
97.02905	5.0
108.21404	2.0
112.08744	2.0
118.06545	11.1
123.04434	4.2
127.03884	4.2
130.06517	4.5
132.08080	5.1
135.55148	2.2
139.03915	4.0
142.06534	2.2
143.07278	5.2
144.08058	12.6
146.05994	42.9
153.01837	6.3
156.08142	6.0
158.25319	2.0
159.09193	3.0
160.07611	3.8
163.03902	2.8
168.07953	3.1
170.05928	4.7
174.09164	2.0
175.53551	1.9
184.07587	2.9
188.07060	100.0
189.07376	2.3
193.72215	2.4
202.08649	2.8
205.09706	64.2
225.91257	2.0
230.08124	28.0
237.02753	2.3
247.10782	12.0
262.69302	2.5
303.01404	2.9
312.72552	2.1
332.11124	2.5
349.13876	3.1
350.12454	11.9
367.14987	28.5
427.03015	4.1
547.99353	2.8
624.72931	3.0
662.51263	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	633.1079
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
50.01588	0.3
51.02375	0.5
53.03939	0.7
54.79840	0.2
57.03426	0.2
68.66463	0.2
68.99792	0.6
69.03423	1.5
69.31022	0.5
69.31429	1.5
71.04974	0.4
79.01846	3.5
81.03413	5.2
85.02890	1.8
97.02888	4.1
99.04456	0.8
107.01294	1.4
109.02879	3.3
111.00800	1.2
116.80171	0.2
120.57074	0.3
123.00806	0.4
123.04411	0.5
125.02335	3.2
127.03918	3.9
137.02327	1.3
139.03896	0.3
143.03386	6.5
145.04967	0.8
147.04407	0.3
153.01819	100.0
153.02827	3.7
154.02107	0.6
161.06013	0.3
163.03983	0.4
165.01830	2.0
166.02676	0.3
171.02885	5.7
171.04271	0.5
177.05449	0.4
179.03392	0.6
183.02853	0.4
189.05402	0.5
191.03427	0.4
193.01274	0.3
195.02847	0.9
203.03445	0.3
207.02985	0.3
207.06567	0.3
217.04875	1.8
221.04576	0.2
245.04434	2.8
263.05579	0.4
273.03922	2.4
290.04123	0.6
297.06015	5.6
301.03403	0.7
315.07056	4.3
319.04459	51.7
320.04785	0.7
361.05484	0.7
427.06787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03935	1.6
55.01870	0.9
55.05508	10.0
55.12600	0.6
55.33604	0.6
57.03160	0.7
57.03433	11.5
57.07064	0.8
59.04975	1.0
61.02915	1.7
65.03927	1.1
67.05501	37.3
69.03413	2.9
69.07063	10.5
71.01337	2.6
71.04980	3.0
71.51669	1.0
73.02907	0.9
79.05490	30.1
81.03416	8.6
81.06599	1.1
81.07055	20.7
83.04977	6.5
83.08619	6.0
85.02902	3.6
85.06535	2.8
91.03951	0.9
91.05471	13.7
93.07037	36.9
94.63020	0.8
95.04964	5.6
95.08601	8.7
97.02866	1.5
97.06526	9.3
97.10155	8.5
99.04465	0.7
99.08073	1.8
105.04543	0.7
105.07023	7.8
107.04933	1.9
107.08583	25.5
109.06509	1.6
109.10144	10.6
111.04431	0.9
111.08077	2.6
117.06999	4.4
118.07539	0.7
119.08571	9.0
121.06504	1.6
121.10142	7.3
123.11682	1.7
125.09607	1.8
127.03933	0.7
129.07024	1.5
131.08565	2.3
133.10120	6.0
135.08017	1.6
135.11684	37.9
137.09634	1.1
143.08511	1.1
145.10112	9.6
147.11684	2.6
149.13306	0.9
153.12747	1.3
157.10103	1.5
159.11726	1.9
161.13257	1.1
163.11156	5.9
170.78430	0.7
171.11713	1.1
173.11919	0.8
173.13258	3.3
175.14833	8.0
177.16428	0.9
181.12233	8.6
187.14775	0.9
193.12241	3.1
199.13318	1.9
201.16405	2.4
207.67148	0.7
211.13348	2.1
219.17427	3.7
227.12929	0.9
229.14362	2.3
255.15894	58.6
256.16113	0.8
267.15909	1.5
269.17349	1.2
270.61063	0.7
277.21628	1.0
281.17691	1.5
285.16989	2.9
325.16144	0.7
392.98883	0.8
435.27386	100.0
436.27661	2.7
439.26730	4.0
444.42273	0.8
453.33740	1.5
471.35181	1.4
479.29883	3.0
485.54050	0.8
561.37695	1.1
633.39893	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	631.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05512	9.7
57.03418	1.9
57.06843	1.5
57.07074	18.4
58.05061	1.3
65.03926	1.4
67.05190	1.7
67.05509	27.7
69.07076	9.4
69.53773	10.7
71.08633	14.4
79.05074	2.4
79.05491	25.4
81.03391	3.5
81.07056	23.6
82.89164	1.3
83.04967	5.7
83.08617	6.5
85.10174	7.9
89.82044	1.5
91.05473	17.1
93.07043	17.1
95.04961	8.8
95.08604	20.6
97.06506	1.6
97.10159	3.5
105.07020	14.8
107.04943	1.9
107.08569	5.6
109.06534	2.2
109.10128	6.7
113.00021	8.5
117.06976	4.1
119.08618	10.0
123.11672	1.7
128.06151	1.6
129.06996	4.4
133.10112	3.4
143.08546	3.2
145.10088	2.3
147.11647	10.9
161.13275	3.3
169.02605	9.5
171.11700	9.1
189.12727	5.2
204.48015	1.4
207.13791	11.3
225.14771	2.0
239.23642	3.3
281.17441	4.4
313.27216	3.2
519.40430	100.0
520.40320	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	631.2016
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
53.03944	0.9
55.05519	0.8
56.00484	0.4
59.04996	3.1
59.16391	0.5
65.03947	2.1
65.90257	0.4
67.05493	1.6
69.03429	1.3
69.07065	0.6
70.86433	1.4
77.03925	0.4
79.05491	12.3
81.03406	1.1
81.07050	27.7
85.02904	1.9
91.05469	4.0
91.21175	0.5
93.03402	5.5
93.07038	30.5
95.04963	1.5
95.08615	0.7
97.02888	1.8
99.04433	0.5
100.77135	0.5
105.04459	0.6
105.07027	3.6
107.04955	1.9
107.08586	2.0
109.02898	0.8
111.00819	1.2
111.04418	1.2
111.20805	0.4
111.62267	0.4
119.08551	1.2
121.02852	1.1
121.06492	1.3
121.10138	24.7
122.10435	0.7
123.04391	0.8
123.08058	1.1
123.11698	0.5
127.03925	0.7
131.08536	1.5
137.02318	3.5
137.05905	0.4
139.03966	0.5
139.11180	1.7
145.04971	1.2
149.02242	0.5
149.09610	73.4
150.09926	1.7
153.01837	3.8
159.04329	0.5
163.03868	0.7
165.01805	2.1
167.10660	8.6
173.05963	0.5
183.02919	0.8
193.05072	0.4
201.05426	2.0
228.04178	0.5
229.04922	3.7
251.12679	0.5
257.04364	2.8
274.04660	0.8
285.03867	1.1
293.13855	2.2
303.04968	100.0
304.05212	3.7
311.14893	10.7
315.05124	0.8
317.06476	0.8
329.15939	9.0
339.18106	0.6
345.06076	2.1
355.50043	0.4
369.06183	0.5
411.07050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2017
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
53.03942	1.7
54.16461	0.4
55.05504	1.2
57.03436	2.1
61.02919	0.4
65.03947	0.4
66.47157	0.4
67.05503	1.6
68.99798	0.9
69.03435	2.9
70.86340	0.9
75.04482	1.6
77.03904	0.5
79.05491	11.5
80.20045	0.4
81.03414	1.8
81.07061	3.3
85.02914	2.6
91.05483	8.0
93.07044	45.8
94.07378	0.5
95.04981	2.6
95.08624	1.9
97.02900	2.2
97.06499	0.5
99.04466	0.8
103.05467	0.6
105.04498	0.9
105.07030	5.6
107.04951	0.5
107.08594	8.1
109.02890	1.3
109.06558	0.6
111.00833	1.0
111.08083	2.2
116.06210	0.5
117.07036	0.5
119.08579	4.1
121.02874	1.0
121.06499	1.1
121.10145	54.3
122.10480	1.1
123.04394	0.6
123.08076	0.9
123.11664	0.9
124.06042	0.3
127.03939	1.2
128.45737	0.4
131.08556	2.7
133.06450	0.5
133.07571	0.5
133.10124	0.5
137.02361	3.9
139.11179	1.4
143.08453	0.4
145.04941	0.4
145.10179	0.7
149.09607	7.5
149.10783	0.6
153.01822	3.5
163.03928	0.7
165.01816	1.9
167.10641	2.5
183.02878	0.8
187.03897	0.6
201.05490	1.4
224.49316	0.5
229.04973	4.8
247.06018	0.7
257.04449	2.5
274.04749	0.7
284.50949	0.4
285.04004	1.3
293.13690	0.8
303.04984	100.0
304.05295	3.9
311.14786	4.5
315.05005	1.3
329.15820	1.9
337.27786	0.4
345.06024	1.1
411.06793	0.5
423.14951	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	631.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03940	3.3
55.01865	0.8
55.05507	2.3
57.03429	4.3
57.07080	0.4
57.23200	0.3
59.04991	1.6
59.29162	0.4
65.03940	0.7
67.05502	3.5
68.99781	0.6
69.03427	8.0
69.07057	1.1
69.59441	2.7
71.04985	0.9
73.02905	0.6
75.04475	8.2
77.03919	0.6
79.05489	15.7
81.03416	10.3
81.07052	8.0
83.04978	1.1
85.02896	3.7
87.04449	0.6
91.05475	16.3
93.03406	0.5
93.07038	85.8
94.07371	1.0
95.04957	5.7
95.08604	5.6
97.02882	4.5
97.06532	2.0
97.10177	0.4
99.04445	1.6
103.05477	1.1
105.04530	1.0
105.07024	9.4
107.04951	1.6
107.08585	10.9
109.02870	5.4
109.06505	1.2
109.10136	1.8
111.00813	0.9
111.04431	1.4
111.08081	5.3
113.05937	0.4
116.06298	0.4
117.07014	1.0
119.08583	7.4
121.02848	1.1
121.06537	1.8
121.10136	83.8
122.10486	1.2
123.04405	0.9
123.08060	4.1
123.11696	2.5
125.05978	1.5
127.03916	3.0
129.06956	0.5
131.08553	4.3
133.06552	0.4
133.07613	0.7
133.10126	1.0
135.08057	0.6
137.02338	4.3
137.05962	0.8
137.09601	1.4
139.11185	4.4
141.09090	0.7
145.04964	0.9
145.10115	0.7
147.04411	0.4
147.07976	0.4
147.11633	0.5
149.02371	0.7
149.08418	0.7
149.09612	13.9
150.10020	0.4
151.03963	0.6
153.01805	5.6
157.10085	0.5
159.11662	0.7
161.05931	0.5
163.03932	0.9
163.11249	0.8
165.01881	1.9
165.09097	1.5
167.07005	0.5
167.10666	12.1
173.05977	0.9
175.03955	0.5
177.05467	0.7
181.04936	2.7
183.02898	1.1
183.10182	1.2
201.05478	1.9
213.05457	0.6
219.06441	0.5
229.04971	4.7
247.06044	0.8
247.13226	0.4
257.04443	3.3
260.89465	0.4
274.04706	1.0
277.34662	0.4
285.03897	1.1
287.05472	8.0
293.13797	6.5
303.04968	100.0
304.05249	2.6
311.14868	2.5
315.05023	2.1
329.15936	1.3
345.06046	1.2
415.13843	0.7
432.15750	0.4
443.36893	0.4
451.89764	0.4
467.18970	0.3
506.87991	0.4
526.18738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05505	0.6
57.03432	0.3
65.03938	0.5
67.05499	1.5
69.03423	0.8
69.07061	1.1
69.11805	0.3
69.41022	0.6
69.41428	1.8
71.05000	0.4
79.05504	0.7
81.03422	0.7
81.07054	2.5
83.04994	0.7
85.02885	0.6
85.06543	0.6
91.05489	1.3
93.07030	1.4
95.04983	0.8
95.08584	2.3
96.51295	0.3
97.02856	0.7
105.03316	0.5
105.07039	1.7
107.04948	0.6
107.08541	1.5
109.02874	0.5
109.10126	1.7
111.04440	0.6
111.80865	0.3
115.05460	0.8
115.60640	0.3
117.07018	0.6
119.04919	0.4
119.08589	1.7
121.02859	0.9
121.10137	1.6
123.04436	0.9
123.08121	0.4
123.11718	0.6
127.03886	0.7
129.05479	0.7
131.04958	0.4
131.08575	0.6
132.08086	0.7
133.10139	0.7
135.11737	0.9
137.06006	0.5
139.03993	0.4
139.11208	0.4
145.10104	1.2
146.06038	0.8
147.04425	0.4
147.08090	0.3
147.11707	0.9
149.06120	0.3
149.09653	0.4
149.13271	0.6
159.06824	0.8
159.11690	0.9
160.07587	5.0
161.09673	0.4
161.13293	0.5
163.11189	0.5
165.01874	0.4
165.09149	0.4
170.06032	1.3
171.06781	4.4
171.11678	0.8
172.07535	1.0
173.13223	0.5
175.04053	0.3
175.11072	0.3
177.05467	0.5
183.11700	0.4
184.07553	0.5
185.07118	0.9
187.10997	0.4
187.14857	0.6
191.10722	0.5
193.34346	0.3
197.07150	0.5
198.07877	1.6
199.08678	7.9
200.09456	6.5
201.10301	1.6
213.10272	0.5
217.15639	0.3
218.78203	0.3
222.07883	1.3
223.08626	4.4
224.09428	17.1
225.05466	0.3
225.10136	1.0
235.08589	0.4
237.10208	8.4
246.69540	0.3
249.10207	3.2
250.10989	2.3
251.11754	1.4
252.12560	4.2
253.13339	9.6
279.11359	0.6
303.05106	0.3
307.06030	0.3
320.04803	0.3
323.05585	0.4
357.07654	0.4
383.46002	0.4
385.07172	0.7
395.10321	1.4
396.10965	1.5
397.11713	0.6
405.31430	0.6
407.10120	0.7
408.11224	0.4
408.16519	0.4
409.11957	0.7
411.13690	0.4
413.06577	0.9
421.11957	0.9
423.09225	0.8
423.32755	0.8
424.10281	3.2
433.31149	0.6
449.11795	0.4
453.14545	1.2
469.33447	1.4
493.12115	0.4
509.21417	0.4
511.12354	0.7
538.11768	1.2
540.13379	0.4
565.10205	0.6
566.10986	2.0
577.13416	0.7
584.12018	0.9
595.15155	1.5
613.16022	0.7
631.17065	100.0
632.17603	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	631.129
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02383	0.7
53.03939	0.4
53.77364	0.3
55.01868	0.6
55.05511	0.4
58.05241	0.3
59.10476	0.3
67.05501	0.9
68.99779	0.4
69.03427	1.5
69.07065	0.3
70.76279	0.6
74.32203	0.3
79.01847	3.0
79.05487	1.0
81.03427	2.3
81.07055	0.7
83.04992	0.4
85.02911	1.9
89.07143	0.3
91.05484	1.1
93.03350	0.3
93.07059	1.9
95.01354	0.3
95.04964	1.0
95.08597	0.8
97.02884	2.2
99.04440	0.6
105.07030	0.9
107.01337	0.7
107.04947	0.3
107.08587	0.7
107.21481	0.3
109.02861	1.7
109.10161	0.6
115.13105	0.3
119.04919	0.6
119.08568	0.4
121.02845	1.1
121.10141	0.9
123.04417	1.9
124.01582	0.7
125.02325	3.3
125.03030	0.3
125.03879	0.3
127.03913	2.0
131.08496	0.4
135.04399	0.6
137.02342	2.3
137.05956	1.1
139.03928	0.6
143.03397	6.2
145.02876	0.6
145.06496	0.4
147.04405	0.8
149.05994	0.4
149.09596	0.4
151.03894	1.3
153.01825	90.4
153.02797	3.4
160.51462	0.3
161.05974	0.3
163.03922	1.5
165.05385	0.3
167.03381	4.2
167.07059	0.9
171.02911	1.9
175.03915	0.4
177.05444	0.8
179.03391	1.4
181.04980	0.9
187.03867	0.3
189.09149	0.3
191.06970	0.5
195.02835	0.4
197.04451	0.6
205.08725	0.3
207.02846	0.3
207.06519	1.1
209.69447	0.3
215.07060	1.0
219.06465	0.3
228.04182	0.6
233.08119	0.5
243.06525	3.6
243.08760	0.5
257.04495	0.5
261.07693	0.8
271.06058	1.9
274.04745	2.7
277.03522	0.4
288.06424	0.8
297.06088	1.4
299.05606	0.7
302.04086	2.3
303.05075	1.0
315.07092	5.9
317.06549	100.0
318.07043	0.8
507.12885	0.3
515.09875	0.6
636.18640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01885	0.3
55.05496	0.8
58.81661	0.2
65.03941	2.3
68.99770	0.5
69.03410	1.0
71.01327	0.7
71.05007	0.3
71.51247	0.4
73.02911	0.4
79.01840	0.8
81.03411	3.5
83.04951	0.9
85.02908	1.2
91.05474	0.4
93.03407	0.7
95.04939	0.4
96.02108	0.9
97.02895	1.3
107.01318	0.7
109.02880	2.6
111.00807	0.5
111.04425	0.8
121.02853	0.5
123.04398	0.6
124.01559	0.5
125.02352	1.4
126.03139	2.0
127.03904	0.9
137.02336	2.2
137.05917	0.3
139.03908	0.5
141.05438	1.3
143.03383	0.7
145.04901	0.3
147.08047	0.3
151.03882	0.6
153.01823	16.4
157.04956	10.0
157.06265	0.5
163.03917	0.5
165.01778	1.4
167.03389	100.0
168.03757	0.6
175.07573	0.2
177.05519	0.4
183.02837	0.8
183.04385	0.3
185.04463	3.1
195.02763	0.3
201.05460	0.9
207.06470	0.4
209.04465	0.7
229.04976	2.6
247.05930	0.4
257.04523	1.8
257.09470	0.3
274.04694	0.7
285.03909	0.9
302.04269	1.0
303.04971	51.9
304.05371	0.8
309.64093	0.3
311.07568	2.9
315.07217	0.6
317.06543	10.0
327.05176	0.3
329.08636	3.7
345.05975	0.6
422.03046	0.3
443.72238	0.3
479.09647	0.4
631.23773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	2.2
51.16318	2.5
52.06725	2.1
53.03937	5.8
55.01867	7.1
55.05239	2.4
55.05507	41.0
57.03424	8.1
57.07062	8.8
65.03928	3.6
67.05503	94.7
67.18008	2.3
69.07069	27.5
70.11439	6.7
71.04980	4.8
71.08244	3.5
71.08630	64.6
79.05490	71.7
81.03407	6.0
81.07053	100.0
83.04975	15.1
83.08616	19.7
85.06524	5.5
85.10185	2.4
89.06024	18.3
90.06364	3.7
91.05476	52.4
93.07040	95.6
95.04977	16.1
95.08607	71.1
97.06538	11.5
97.10165	7.0
99.08093	43.3
105.07026	46.8
107.04948	9.8
107.08588	49.1
109.06463	2.6
109.10137	25.5
111.08076	3.4
112.16876	2.4
113.09620	6.4
115.05445	2.7
117.07005	17.8
119.08579	46.3
121.06449	3.0
121.10133	38.3
123.08087	4.2
123.11690	10.2
125.09583	6.1
129.05450	3.6
129.07004	8.3
131.08565	29.5
133.08606	11.2
133.10127	27.1
134.08928	2.6
135.11691	32.0
137.09621	4.7
139.11116	4.6
141.09024	2.7
143.08536	13.5
145.10139	22.8
147.11668	23.5
149.09607	5.3
149.13237	14.4
151.11182	19.3
155.08519	4.6
157.10057	11.5
159.11659	14.8
161.13275	17.4
163.11154	10.2
163.14819	9.0
165.12723	4.0
169.10152	5.2
171.11702	7.7
173.11871	3.6
173.13277	11.8
175.14827	7.0
177.11237	4.0
177.12604	4.4
177.16408	6.7
179.14308	53.0
183.11703	3.9
185.13235	6.5
187.14793	5.5
189.12715	2.8
189.16441	2.2
191.14297	2.8
197.13297	3.5
199.14793	4.4
201.16389	5.7
213.16394	2.2
215.17970	2.3
217.71539	2.0
225.16374	4.2
227.12720	2.8
241.19640	4.0
243.21190	16.1
243.23294	3.0
259.20526	9.4
261.22189	17.4
275.20023	8.0
277.21646	53.7
295.22736	5.8
317.24734	8.2
329.32645	2.3
335.25800	42.5
337.27289	3.7
351.25278	49.5
416.25912	3.2
439.36105	6.0
456.42404	2.3
457.36713	3.9
472.15854	2.3
485.36288	3.4
489.36191	2.6
513.39642	12.8
515.37549	15.5
519.41876	4.9
529.38843	7.6
531.40808	5.1
537.42633	4.8
555.43884	2.9
592.90088	2.7
611.46674	99.6
612.46313	3.6
629.47650	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01880	5.3
55.05507	32.0
57.03424	9.8
57.07061	8.3
62.02159	3.1
65.03949	3.7
67.05503	87.9
69.07069	26.6
69.82855	8.4
69.83273	7.7
71.08633	58.7
79.05492	69.2
79.05947	2.6
81.03429	6.1
81.07053	79.6
83.04979	12.7
83.08613	22.3
85.06531	8.0
91.05476	48.0
93.07036	89.6
95.04947	14.9
95.08603	62.7
97.06537	11.9
97.10161	8.2
99.08082	34.0
105.07025	40.2
107.04959	12.5
107.08577	40.5
109.06512	7.6
109.10136	27.7
111.08121	3.5
113.06012	5.3
117.07032	15.7
119.08580	28.9
121.06514	4.1
121.10126	35.8
123.11703	5.0
129.07001	9.4
131.08551	32.0
133.10141	22.8
133.99963	2.8
135.08124	3.4
135.11697	25.0
143.08586	10.3
145.10098	19.6
147.11697	14.2
149.09555	3.6
149.13258	12.3
151.11160	17.5
157.10101	8.2
159.11676	9.8
161.13280	16.4
163.11180	8.4
163.14809	8.5
171.11671	7.5
173.11810	6.4
173.13292	10.5
175.14838	3.6
179.14276	45.2
185.13307	7.5
187.14781	3.7
199.14864	3.9
201.16527	4.3
214.73917	3.2
233.22623	3.2
241.19530	5.3
243.21051	21.1
261.22095	17.2
269.94550	3.1
273.18570	6.2
275.19992	3.4
276.20337	3.6
277.21625	47.8
277.24472	5.0
291.19522	19.1
291.42438	3.3
295.22723	9.6
317.24744	6.3
335.25824	42.7
351.25342	58.6
437.33908	5.3
439.35593	5.1
457.37030	7.4
513.39368	18.6
515.37439	8.2
517.39148	4.4
529.38934	7.0
531.40302	9.5
555.43671	4.0
611.46606	100.0
629.47791	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	629.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.8
69.07063	2.5
71.25560	4.1
79.05465	4.5
81.07050	4.9
90.23949	1.6
91.05476	3.4
93.07044	3.0
94.06566	3.1
95.08614	3.7
105.07011	2.2
106.06581	5.0
107.07336	11.5
107.08578	2.7
108.08111	32.0
109.10109	2.3
116.04932	3.6
120.04444	4.0
120.08091	8.3
121.08855	6.4
122.06015	8.4
122.09663	27.8
132.08061	1.9
134.05984	1.8
136.07549	17.8
144.04503	4.0
145.10161	1.9
146.06013	9.6
148.07536	20.0
149.08397	2.2
150.09129	100.0
152.07068	13.3
158.07213	1.8
160.03978	2.2
160.07597	2.9
162.05487	3.5
164.07022	4.4
164.47208	1.7
166.08626	28.8
172.03931	21.2
174.05444	4.1
176.07080	3.4
190.04945	13.4
197.10822	2.4
198.11528	4.4
199.12457	2.2
204.06552	29.4
209.10556	2.2
210.09613	1.7
210.11453	9.4
211.12297	8.4
211.22922	1.7
212.09467	2.9
212.13034	3.7
218.08054	5.2
223.08803	2.1
223.12305	7.8
224.09445	2.6
224.13116	2.6
225.10243	11.2
225.13889	3.9
226.11005	7.2
227.11771	4.9
229.09743	1.9
229.13289	3.9
235.08662	2.9
235.12337	5.7
236.09351	3.9
237.10263	16.1
237.13939	2.6
238.10942	12.9
239.11746	12.2
241.09711	2.7
241.13362	4.1
246.07816	3.5
248.09392	2.6
249.10237	14.3
250.10864	10.2
251.11803	23.8
252.08865	1.9
252.12546	5.9
253.09705	1.9
253.13341	8.6
255.11275	2.7
256.12064	5.9
257.12839	6.3
262.10968	6.4
263.07959	3.2
263.08752	3.3
263.11749	28.0
264.08875	8.3
264.12424	9.0
265.10162	10.6
265.13257	20.5
266.10440	9.5
267.11249	28.9
268.11868	3.2
269.12817	7.5
271.10760	3.0
271.14359	13.4
276.08444	2.5
277.09756	5.1
278.10538	7.9
279.11237	54.1
280.11957	8.3
281.12857	16.7
282.09930	2.7
283.10760	8.3
283.14355	11.2
284.11499	15.7
285.12329	39.8
287.13901	5.8
288.19189	2.2
289.15289	3.4
291.11209	19.0
292.11993	7.5
293.09476	2.6
293.12772	23.0
294.13232	2.0
295.10736	5.0
296.11597	9.1
297.12305	64.0
298.12976	6.0
299.14008	3.7
307.10736	6.4
308.11807	2.4
309.12323	41.9
310.13019	11.7
311.10406	4.1
311.13904	8.3
312.11017	2.6
315.05048	2.4
319.10745	17.4
321.12198	18.5
323.10211	15.9
324.10895	2.8
325.11801	24.6
326.12567	2.6
327.13394	11.9
337.11792	92.5
338.12381	7.0
339.13333	7.9
341.15143	4.3
357.14407	5.0
360.20651	4.4
369.14529	4.8
374.18820	2.6
385.13922	5.0
388.20193	7.4
400.16299	3.1
405.20288	3.4
406.21204	6.1
414.18079	5.5
416.19589	15.7
418.17661	2.0
420.19193	3.3
430.17444	6.5
430.22037	4.5
432.19144	5.2
433.19922	34.0
434.20728	30.4
442.17346	5.3
446.20853	8.5
447.21802	2.3
448.18564	32.1
458.20969	8.8
460.18643	70.6
461.19452	18.0
462.20068	12.7
474.20200	80.5
475.20969	16.2
476.21735	18.2
480.21387	3.5
492.20926	4.1
506.22815	19.0
507.23450	7.2
579.25800	14.7
597.27014	87.0
598.27008	5.7
629.29608	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.3
55.01877	17.5
55.05510	42.8
57.03418	9.1
57.07061	5.8
59.04988	2.7
60.37502	2.5
60.76876	2.4
65.03936	4.1
67.05140	4.9
67.05503	100.0
69.03412	2.3
69.07063	37.0
71.04980	9.3
71.08598	4.8
71.13966	5.4
75.32668	2.5
79.05495	80.8
81.03404	7.7
81.07055	100.0
82.07361	4.3
83.04979	12.3
83.08617	19.5
85.06515	6.0
91.04911	3.3
91.05476	67.0
93.07040	73.5
95.04980	18.1
95.08608	62.9
97.06534	20.1
97.10162	14.7
99.08094	5.7
105.07025	50.4
107.04977	13.6
107.08590	47.6
108.08913	2.4
109.06517	10.1
109.10158	27.0
111.08076	6.2
115.05383	3.2
117.07021	22.2
119.08582	42.6
121.10148	34.2
123.08047	6.4
123.11723	15.9
125.09637	9.3
129.07028	14.0
131.08566	33.8
133.10121	35.5
135.08029	8.4
135.11684	17.7
137.09570	5.0
137.13225	3.5
139.11241	3.5
141.06964	3.8
143.08574	13.5
143.10704	2.8
145.06445	3.2
145.10133	36.1
147.08040	4.1
147.11685	26.4
147.39166	2.5
149.09612	10.4
149.13235	7.9
151.11150	4.2
153.12738	2.5
155.08511	6.8
156.08067	2.6
157.10078	13.2
159.11716	23.9
161.09575	5.1
161.13217	12.7
163.11128	8.2
163.14925	2.8
165.12822	3.5
169.10121	9.5
171.11668	13.4
173.09648	2.7
173.13234	8.7
175.11168	4.9
175.14844	4.3
177.16385	2.8
179.14273	6.2
183.11708	4.7
185.13229	7.9
187.11148	3.8
187.14825	3.7
189.12724	3.2
195.11746	5.3
197.13200	5.6
199.14812	8.0
203.17859	2.6
209.13434	3.4
211.14835	5.2
213.16351	4.3
219.17352	2.6
221.13136	3.0
221.69907	2.5
227.12801	4.8
229.19545	3.3
235.14706	2.8
235.16949	3.1
239.18019	5.8
247.20522	3.6
257.19000	7.0
259.20633	5.2
261.22031	7.0
275.20038	41.7
277.21524	11.4
293.21042	2.8
295.74725	3.4
333.23825	3.6
335.25873	16.1
349.23746	20.1
431.66071	2.6
513.35614	2.8
515.37231	7.3
517.40149	6.7
527.36798	2.9
529.38806	3.2
535.41473	4.7
539.38165	2.7
549.24677	2.5
553.41980	6.0
569.98309	3.1
585.83099	2.7
609.36292	3.7
609.45117	40.0
627.17346	3.2
627.46118	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34788	2.3
53.03932	7.0
55.01866	17.5
55.05503	40.0
57.03440	13.0
57.07057	3.5
65.03937	4.3
67.05502	100.0
69.07066	43.1
69.28005	13.8
69.28426	10.0
71.04990	7.1
71.08629	6.0
79.05491	60.8
81.03412	4.9
81.07051	90.9
83.04980	7.6
83.08611	20.4
85.06550	7.8
91.05478	61.0
92.05802	3.0
93.06493	4.2
93.07042	67.2
94.07400	3.2
95.04952	11.5
95.08605	60.0
97.06509	22.2
97.10149	13.2
97.40717	2.9
98.21558	4.5
99.08086	4.9
101.80235	2.4
102.52003	3.1
105.07025	58.8
107.04958	11.5
107.08585	44.4
109.06506	5.7
109.10155	37.4
111.08096	5.2
117.07012	25.8
119.08572	49.4
119.09371	4.1
121.10140	25.5
122.10426	2.8
123.08112	6.0
123.11683	11.9
124.15459	2.3
125.09637	10.5
128.06238	3.2
129.07013	16.8
131.08565	42.1
133.10123	40.6
135.08046	5.2
135.11697	21.4
137.09634	3.3
141.06998	7.0
142.07829	4.2
143.08566	23.7
145.10127	40.5
147.11661	21.0
149.09648	9.9
149.13281	7.0
151.11137	3.3
155.08528	14.1
157.10097	22.8
159.11671	32.0
161.13251	16.0
162.09753	2.3
163.11208	6.7
163.14751	3.7
169.10101	15.4
171.11679	20.8
173.11862	4.0
173.13214	14.3
175.14854	5.7
177.12837	4.0
179.14322	6.4
181.10146	5.6
183.11723	11.4
185.13217	15.5
187.14867	8.3
189.11243	4.4
189.16414	2.8
195.11861	5.1
196.12141	3.2
197.13263	11.9
199.14879	10.1
201.16452	7.0
209.13454	6.0
211.14850	6.9
213.16415	6.9
215.18036	3.5
219.73352	2.7
225.16388	4.4
227.12839	9.0
227.17973	3.8
239.18054	6.7
241.19565	5.1
243.15926	2.7
257.19037	3.5
261.22241	4.6
275.20050	35.8
277.21722	4.6
283.20407	2.8
317.24893	3.2
333.24301	4.2
335.25858	15.0
349.23499	14.7
367.30078	3.1
381.31750	4.5
397.30920	2.7
423.32648	7.5
441.34036	4.0
482.37125	3.2
511.37567	3.2
515.37091	28.8
517.40277	11.8
529.38684	10.2
535.41516	13.5
553.42358	11.0
592.44299	4.9
609.44989	83.2
610.45233	5.5
627.46094	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
51.36083	1.4
53.03936	5.3
55.01874	15.7
55.05508	39.9
57.03426	8.8
57.07067	3.9
57.24229	1.6
65.03936	5.2
66.36314	1.5
67.05502	87.0
68.05822	1.9
69.03410	3.8
69.07063	37.7
71.04980	5.8
71.08632	9.8
79.05487	65.4
81.03407	5.8
81.07050	89.4
83.04992	10.7
83.08611	17.0
85.06532	4.6
87.04439	1.8
88.63727	1.7
89.06013	2.0
91.04909	2.9
91.05476	51.6
93.07035	64.7
95.04980	14.6
95.05521	2.7
95.08601	59.1
97.06525	18.5
97.10155	11.2
98.21535	4.3
99.08084	7.5
103.05446	2.8
105.04480	2.2
105.07024	52.3
107.04950	9.5
107.08589	39.8
109.06503	9.1
109.10149	30.4
111.08073	6.8
115.05431	2.6
116.06182	1.9
117.07005	21.7
117.72662	1.5
119.08569	43.7
121.06535	3.6
121.10136	27.0
123.08074	7.2
123.11706	10.3
125.09621	9.0
128.06230	2.9
129.06998	12.7
131.08549	32.6
133.08603	2.8
133.10127	30.1
135.08070	5.5
135.11661	15.9
137.09631	5.6
137.13254	3.2
139.11195	2.5
141.07022	3.8
142.07822	3.3
143.08568	16.2
145.06425	1.8
145.10115	28.9
145.11182	3.0
147.08034	2.6
147.11673	23.5
149.09607	11.1
149.13211	8.2
151.11195	6.5
151.14911	1.5
155.08539	8.2
157.10112	15.7
159.08109	1.9
159.11694	19.6
161.09578	3.0
161.13254	13.6
163.11188	10.4
163.14845	2.9
165.09167	1.9
165.12776	3.8
166.63562	1.6
167.08551	2.7
168.09422	2.1
169.10107	14.5
171.11661	11.7
173.11908	2.7
173.13263	13.5
175.11177	2.0
175.14850	5.7
177.12738	2.6
179.14281	2.0
181.10178	3.8
183.08115	1.4
183.10263	1.5
183.11673	8.5
185.13242	8.3
187.14796	6.0
189.11186	3.3
189.16364	2.5
191.14291	2.3
193.12299	2.1
195.11732	4.9
197.13257	5.2
199.14864	6.4
201.12799	2.2
201.16368	5.1
207.11742	2.0
207.13907	1.8
209.13333	3.8
211.14893	2.3
213.16400	5.1
215.18048	3.5
221.13425	2.2
223.14886	2.9
225.16458	4.4
227.12794	2.9
229.19511	4.0
229.72348	1.4
237.16400	2.3
239.17992	6.6
241.19501	3.9
243.21080	4.5
247.20578	2.1
251.18071	2.0
255.21111	2.1
257.19052	7.2
259.20648	5.7
261.22156	5.6
267.15829	2.7
273.18625	2.0
275.20065	37.8
276.20410	2.3
277.21655	6.6
293.21243	6.2
313.21545	2.2
317.24796	2.3
323.24185	1.9
331.22601	2.5
333.24335	5.0
335.25906	16.7
349.23749	16.5
351.25446	2.7
367.25702	1.7
367.29907	2.2
383.33359	2.1
423.32495	2.9
437.34106	2.5
441.33771	2.0
499.39343	2.1
501.35629	2.5
511.38202	2.7
513.35614	11.8
515.37299	14.6
517.40503	6.3
527.37439	2.8
529.38806	5.5
535.41345	7.5
553.42328	7.3
609.45044	51.8
627.46167	100.0
628.46289	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	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68406	7.6
51.15314	7.8
53.03938	18.8
55.05504	36.0
57.03430	13.2
57.07063	14.8
67.05507	85.0
69.07065	36.8
69.78404	56.7
71.08633	77.0
79.05493	59.7
79.99840	8.9
81.07048	77.9
83.04991	9.0
83.08604	22.4
90.43754	8.6
91.05472	73.3
93.07034	77.5
95.08586	57.1
97.06525	14.8
99.08089	39.1
105.07037	61.4
107.04933	12.5
107.08605	48.9
107.13428	9.4
109.10165	26.0
117.07007	21.9
119.08576	59.5
121.10157	29.7
123.11741	14.0
129.07024	13.0
131.08556	40.1
133.10114	49.5
135.11685	33.4
143.08546	28.2
145.10072	47.4
147.11681	36.7
151.11205	21.4
157.10127	21.0
159.11699	34.8
159.52553	9.8
161.13235	24.9
163.11180	10.1
171.11717	14.2
173.13263	22.2
179.14296	33.9
185.13313	15.9
199.14789	12.4
211.14627	11.1
223.14763	11.7
241.19505	21.8
259.20605	28.8
265.10431	9.6
277.21582	35.7
280.75244	9.2
315.22983	10.9
333.24124	28.6
351.25302	23.3
437.33978	28.7
511.38028	11.8
515.37244	9.7
529.38397	9.6
535.41278	11.3
609.44916	47.3
627.46033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01862	7.9
55.05509	31.9
56.41817	1.7
57.03436	5.9
57.07065	5.4
60.01709	1.6
60.11121	1.8
65.03939	3.9
67.05501	66.9
69.03444	2.1
69.07064	26.8
69.29818	17.3
71.05004	3.2
71.08622	12.4
76.18213	1.9
79.05489	42.3
81.03422	2.4
81.07052	58.7
83.04987	6.4
83.08619	16.1
85.06551	3.4
91.05475	39.1
92.05848	1.9
93.07037	48.1
95.04960	7.2
95.08601	42.8
97.06528	6.9
97.10141	9.4
99.08108	8.4
105.04469	2.1
105.07014	33.5
107.04916	4.8
107.08581	26.3
109.06520	4.3
109.10156	27.5
111.08062	5.7
115.05415	1.7
117.07014	20.2
119.08572	28.1
121.06487	2.1
121.10143	12.6
123.08049	2.9
123.11707	5.5
125.09629	8.3
128.06226	4.4
129.07024	10.8
131.08568	27.8
133.10127	19.0
135.08075	2.1
135.11676	7.3
137.09615	2.3
139.11127	2.2
141.07008	4.0
142.07787	2.5
143.08559	15.8
145.10117	19.5
147.11647	13.1
149.09555	3.6
149.13266	6.1
151.11125	5.1
155.08557	6.0
157.10167	13.4
159.11693	16.4
161.13301	6.3
163.11211	3.8
165.12790	2.3
167.08463	2.3
169.10162	8.0
171.11612	10.9
173.11855	3.9
173.13278	9.1
175.11287	2.2
175.14859	2.6
177.12721	3.7
181.10188	5.1
183.11710	8.2
185.13292	7.4
187.14821	7.7
189.11320	4.2
189.12817	2.7
195.11647	4.1
197.13315	6.5
199.14857	6.0
201.16426	3.4
209.13177	2.1
211.14801	4.2
213.16383	5.7
215.17882	2.3
221.13292	2.1
223.38857	2.0
225.16403	4.3
227.12700	4.8
229.14310	2.8
237.16377	2.0
239.18147	2.4
241.19763	2.1
243.21103	2.4
259.20715	4.1
261.22067	3.1
267.21191	2.4
273.22113	2.6
275.20053	5.0
277.21674	5.3
293.21149	6.8
301.25296	2.0
303.23236	2.3
311.23853	2.3
317.25037	3.3
327.23077	2.1
333.24265	2.7
341.28262	2.1
349.23895	2.5
381.31680	5.8
383.33218	6.8
437.34167	2.7
455.35434	2.1
513.35834	5.6
515.37115	5.4
517.40637	5.0
527.37238	7.2
529.38739	6.4
535.41827	9.1
553.42505	6.5
571.43701	2.4
578.89935	1.8
609.45050	37.2
610.46075	2.1
627.46149	100.0
628.46478	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	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01865	11.7
55.05510	35.0
57.03445	10.8
57.07066	7.4
58.91655	1.7
61.39199	1.6
65.03926	3.2
67.05502	75.1
69.07066	35.6
70.64682	5.8
71.04981	5.5
71.08630	53.1
79.05492	64.3
81.03415	6.3
81.07053	81.2
81.07535	3.9
83.04980	7.1
83.08618	17.3
85.06542	6.8
91.05477	56.5
93.07040	72.8
95.04965	7.5
95.08604	55.7
97.06523	19.9
97.10184	11.3
97.79784	1.9
99.08092	28.5
105.04510	3.6
105.07026	61.2
107.04922	9.6
107.08583	40.6
109.06533	5.3
109.10159	21.2
111.08092	5.7
117.07014	19.6
119.08574	49.0
121.06476	4.5
121.10130	30.0
123.08055	4.3
123.11694	6.0
125.09607	5.1
127.11247	1.9
129.06998	16.0
130.07777	2.4
131.08569	38.9
133.10130	33.0
135.08089	5.4
135.11688	23.1
137.09616	6.8
137.13167	3.6
141.06993	7.0
141.09128	1.8
142.07808	4.0
143.08569	17.0
145.10117	30.4
147.08127	4.0
147.11673	25.6
149.09616	9.0
149.13278	12.9
151.11153	13.1
155.08534	9.7
157.10132	21.6
159.11690	24.9
161.09631	1.9
161.13268	22.8
163.11211	7.9
163.14809	5.5
165.07008	1.9
165.12793	2.4
167.08591	4.0
169.10100	14.1
171.11673	18.2
173.09712	2.3
173.11792	4.3
173.13280	14.9
175.11110	2.4
175.14807	9.4
177.12764	5.7
179.08450	1.9
179.14305	19.9
181.10141	6.9
183.11678	11.0
185.13275	14.2
187.14854	7.2
189.12743	3.1
195.11662	6.0
197.13245	10.8
199.14795	11.9
201.16403	6.4
209.13335	3.3
211.14847	7.4
213.16466	4.6
223.14969	3.7
225.16472	3.6
227.12836	2.3
227.17926	4.2
229.19641	2.0
231.20891	2.2
239.17871	2.8
241.19566	17.2
247.20638	2.7
251.17845	2.4
253.19554	2.3
257.19046	4.3
259.20575	15.6
261.22183	4.2
263.20215	3.2
275.20050	21.8
277.21628	30.0
293.21213	4.5
297.22128	3.3
311.23553	2.1
313.21680	3.3
315.23383	4.0
325.25098	2.3
326.89932	2.0
333.24203	18.0
335.25919	9.5
349.23816	11.0
351.25323	23.1
419.32925	5.3
435.32825	2.5
437.34091	19.7
455.35385	2.4
475.36072	2.1
511.37933	13.2
513.36212	5.8
515.37097	7.2
517.40540	8.9
527.37555	4.5
529.39160	8.7
535.41437	9.8
553.42401	7.2
591.43903	3.1
609.45056	64.7
610.46002	3.3
627.46118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16124	1.1
51.21178	0.8
55.01873	1.5
65.03947	1.1
67.05466	1.4
68.99769	1.1
69.03423	3.8
69.77206	5.7
70.06576	1.3
71.04974	1.5
79.05489	1.5
81.03426	1.3
81.07030	1.5
83.04966	1.2
85.02906	8.7
91.05450	1.9
95.04966	2.5
97.02887	3.0
97.06489	1.3
99.04420	0.9
105.84416	1.0
107.08560	1.3
108.54144	0.8
109.02899	1.9
111.04439	4.0
115.05506	0.8
119.04935	2.3
119.08527	0.8
121.02871	1.5
121.10125	1.5
123.04453	3.6
125.02399	0.9
127.03909	2.9
131.04922	1.6
135.04420	3.6
137.02324	1.0
137.05975	4.1
139.03902	100.0
140.04239	1.3
145.02852	1.2
146.06039	1.3
147.04404	3.5
149.06067	1.5
151.03903	3.3
153.01808	1.5
153.05490	1.2
160.07512	1.4
161.05891	1.1
163.03923	22.2
163.07553	1.3
164.07169	1.4
175.03909	6.2
177.05476	3.4
177.06911	0.9
181.04980	4.2
183.04628	0.9
189.05460	1.0
191.08438	1.1
193.04944	1.6
195.08055	2.5
203.06926	1.2
205.04929	3.7
207.06471	2.3
211.04057	1.0
223.07591	3.4
229.05016	1.7
233.05951	1.4
237.05609	1.7
251.06993	4.9
263.07031	3.7
275.06967	2.0
279.06509	30.9
280.06726	1.2
281.08047	4.1
283.08124	1.6
285.97693	1.0
286.08191	1.5
291.06409	2.4
297.07599	27.0
298.08118	1.9
301.09183	2.2
303.04684	4.7
309.07419	1.7
316.09790	1.7
321.07520	6.0
327.08682	5.5
333.06046	1.4
339.08679	6.2
361.04102	3.0
414.14798	1.0
417.23749	1.0
429.09427	1.7
447.10721	13.4
448.11176	1.9
465.11862	2.3
531.44366	1.3
581.56586	1.1
627.06317	2.0
627.23346	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1335
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
53.03943	0.5
55.01863	0.3
55.05499	0.3
57.03423	0.3
65.03940	0.3
68.99773	0.4
69.03436	1.2
70.43476	0.4
71.04980	0.2
79.05470	0.9
81.03419	3.1
85.02901	1.4
89.03914	6.0
91.05470	1.5
93.35990	0.2
94.06570	0.3
95.04942	0.4
95.53442	0.2
96.08113	0.3
97.02876	0.4
98.20912	0.3
99.04449	0.5
101.03806	0.2
107.04955	2.1
109.02876	1.2
111.00781	0.4
115.66235	0.2
117.03377	7.3
119.04932	3.8
121.02885	0.4
123.04433	0.6
127.03922	0.6
135.04410	17.5
137.02324	1.3
138.09097	0.3
139.03906	0.3
145.02843	12.5
146.06021	0.2
147.04407	17.1
153.01823	1.9
163.03896	100.0
164.04248	1.1
165.01895	0.8
165.05534	0.5
166.08585	0.2
177.05438	0.3
181.04967	2.0
183.02847	0.4
186.05470	0.4
190.04962	0.4
193.04800	0.2
195.02946	0.3
198.30598	0.2
201.05415	0.5
205.04723	1.4
229.04945	2.0
233.86546	0.3
257.04443	0.8
285.03989	0.3
285.12308	0.5
291.08652	0.7
303.04980	29.7
304.05365	0.3
307.08087	4.9
319.04401	2.2
325.09042	2.4
333.06216	0.4
355.24487	0.2
377.48141	0.2
386.14706	0.3
401.31604	0.3
474.16354	1.0
609.23340	0.3
627.24133	4.0
635.14099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01868	7.1
55.05507	9.1
65.03969	3.0
67.05495	13.7
69.03416	14.4
69.07062	18.6
69.22871	32.2
71.04985	9.2
79.05499	21.7
81.03424	18.2
81.07053	39.7
83.04983	16.5
83.08587	3.0
85.02902	12.5
85.06538	7.8
91.05477	17.9
93.07037	55.4
94.56989	2.8
95.04957	15.4
95.08607	20.3
95.59950	2.5
97.02885	11.7
97.06523	27.3
99.04440	18.8
103.05475	3.3
105.07044	33.3
107.05006	6.5
107.08603	30.1
109.02888	27.6
109.06509	25.0
109.10142	12.4
111.04446	5.4
111.08079	17.4
113.06121	3.5
113.59015	2.9
119.04926	3.4
119.08581	24.6
121.06507	51.4
121.10151	14.0
123.04427	6.7
123.08060	7.9
123.11703	8.2
125.05990	14.2
127.03923	24.7
127.07550	12.0
131.08562	9.1
133.06470	4.3
133.10118	20.6
135.04407	4.0
135.08041	13.8
135.11711	3.8
137.05949	4.3
137.09605	5.0
139.07536	13.1
143.07030	12.7
143.08551	8.0
145.04971	12.0
145.10118	10.8
147.04405	5.2
147.08035	5.0
147.11667	54.2
149.05983	4.3
149.09645	6.3
149.13228	6.2
151.11136	4.1
153.09119	3.9
157.08739	6.9
157.10133	16.2
159.08051	4.1
161.06009	4.3
161.09569	4.5
161.13260	7.9
165.12750	18.8
167.07079	3.1
167.10716	4.8
169.12221	10.8
171.11673	14.2
173.09729	4.1
175.03891	6.6
175.07605	4.5
175.11166	39.0
177.05470	51.3
181.10143	5.3
187.06027	10.9
189.05568	4.3
189.12775	22.6
191.14229	3.5
193.04973	5.4
193.12257	34.0
199.11147	16.3
205.07019	7.5
207.06458	4.8
207.13817	18.2
211.13292	28.8
213.05449	9.0
217.12236	66.9
218.12413	3.5
225.05414	5.5
229.14417	9.8
235.13268	97.9
236.13846	3.2
239.07002	5.5
243.06554	7.0
253.14342	100.0
267.06540	34.2
271.15366	17.0
285.07611	11.8
289.16428	4.4
313.16589	4.1
317.06448	3.7
327.08707	5.1
361.16449	5.7
379.17462	11.1
397.18640	14.7
415.19537	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64271	1.5
53.03929	4.2
55.01870	12.8
55.05511	40.4
57.03444	8.6
57.07081	2.9
59.04984	2.2
65.03926	4.0
67.05504	61.8
68.05844	3.3
69.03416	2.7
69.07068	32.8
69.82302	10.1
71.04975	6.3
71.08626	1.5
73.06541	1.5
79.05489	46.0
81.03419	3.9
81.07054	70.4
82.07390	1.8
83.04977	8.2
83.08614	18.7
85.06539	3.2
86.92683	1.5
91.05478	48.0
92.05826	1.9
93.07040	45.2
95.04974	10.6
95.08610	44.9
95.09155	1.0
97.06536	13.5
97.10155	12.6
99.08105	3.5
103.05445	2.4
105.07031	51.2
107.04947	5.2
107.08589	31.2
109.06502	6.1
109.10145	21.9
111.08092	4.9
113.09667	1.6
115.05444	3.6
117.07019	21.7
119.08586	37.7
120.34577	1.6
121.06512	4.4
121.10139	21.2
123.08066	4.7
123.11658	8.4
125.09648	11.2
128.06223	6.9
129.07019	21.1
131.08556	32.3
133.06433	2.2
133.10143	30.8
135.08063	6.4
135.11722	8.9
137.09616	4.7
137.13286	1.9
139.11172	2.5
141.06923	7.2
142.07773	5.1
143.08549	26.0
145.06474	3.7
145.10118	32.2
146.10606	2.3
147.08075	2.8
147.11670	16.3
149.09607	5.5
149.13225	6.4
151.11218	3.7
153.06955	1.9
153.12788	2.2
154.07813	3.4
155.08551	20.3
156.09334	4.0
157.10130	25.4
159.11690	22.3
161.09615	4.6
161.13257	9.7
163.11188	4.7
163.14847	2.3
163.22729	1.5
165.12776	1.8
166.07793	2.1
167.07278	1.5
167.08592	6.3
168.09312	3.6
169.10133	21.1
171.08063	1.8
171.11679	22.0
173.09512	1.6
173.13237	12.0
175.11128	2.1
175.14830	5.1
177.12817	2.9
179.08519	3.2
179.14249	2.0
180.09297	2.2
181.10086	11.1
182.10909	1.8
183.11691	18.9
185.09711	1.9
185.13246	14.7
187.11247	2.2
187.13292	2.9
187.14882	7.0
189.11235	4.6
192.55020	1.8
193.10193	4.4
195.11737	10.3
197.13231	16.3
199.11157	2.8
199.14795	8.5
201.16434	4.5
205.10248	2.1
205.12241	1.9
207.11690	4.4
209.13237	9.3
211.11215	2.0
211.14809	10.0
213.16451	8.3
215.14287	1.7
215.17885	1.7
219.11725	2.2
221.13307	4.4
223.14828	9.0
225.16391	6.2
227.12794	6.0
227.18068	3.2
229.14276	2.0
229.19577	1.9
231.21028	1.9
233.13324	2.5
235.14882	3.3
237.16440	5.6
239.18015	5.7
241.19563	6.6
243.15829	3.4
247.14755	1.7
251.17929	3.3
253.19537	3.1
257.19073	4.7
259.20712	6.0
265.19812	1.9
273.18549	4.2
275.20074	14.1
277.19266	2.2
277.21976	2.6
283.20410	1.9
291.19614	1.8
295.20517	2.3
297.22217	1.7
309.22086	2.8
311.23785	2.3
315.23407	2.3
323.23752	2.8
331.23032	2.1
333.24219	5.9
341.25027	2.1
349.23944	5.7
363.26984	1.9
365.28491	6.7
381.31833	2.9
391.29898	1.7
403.30109	2.5
410.57642	1.7
417.31299	2.0
421.30869	2.5
439.32385	3.8
445.30719	2.4
495.34613	5.2
497.37277	2.2
513.35712	24.2
514.36053	1.7
515.38800	9.0
527.37225	6.8
533.40179	12.2
551.41052	9.4
589.42590	4.0
597.44727	2.4
607.43469	46.7
608.43671	4.0
625.44586	100.0
626.44763	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01684	1.0
55.01868	11.0
55.05507	36.5
57.03432	8.6
57.07066	3.6
59.04993	1.9
61.68452	1.1
65.03925	4.9
67.05499	69.8
68.05827	1.4
69.03423	3.1
69.07061	32.4
69.25938	8.5
69.26371	4.4
71.04980	4.6
77.03906	1.2
79.05488	49.6
81.03416	4.3
81.07048	69.1
82.07372	1.5
83.04977	6.0
83.08613	17.4
85.02909	1.4
85.06528	4.3
91.04905	2.6
91.05479	43.8
93.07037	49.8
95.04956	11.2
95.08601	46.4
95.09096	1.1
97.06518	14.9
97.10163	12.2
98.98450	4.1
99.08081	2.5
100.18079	1.3
103.05457	2.5
105.07024	50.4
106.07369	1.3
107.04952	4.1
107.08584	33.3
109.06529	7.6
109.10149	26.1
111.08073	3.9
115.05436	2.8
117.07010	26.4
119.08574	41.4
120.08938	2.3
121.06480	2.3
121.10139	20.6
123.08070	5.1
123.11687	7.6
125.09611	9.2
128.06229	4.3
129.06998	18.6
130.07774	1.6
131.08559	37.2
133.06500	2.4
133.10120	31.3
135.08044	5.5
135.11690	11.4
137.09634	3.1
139.11142	2.8
141.06975	10.1
141.63969	1.1
142.07788	4.8
143.08556	25.7
144.09335	1.6
145.06464	3.8
145.10109	32.2
147.08060	3.7
147.11681	20.0
149.09605	8.3
149.13214	7.3
151.11165	1.8
153.06952	1.9
153.09052	2.3
153.12724	2.0
154.07838	2.3
155.08543	16.1
156.09283	1.6
157.10115	26.3
158.10573	1.4
159.08022	2.7
159.11678	24.2
161.09621	4.4
161.13274	9.7
163.11177	4.0
163.14839	2.0
165.06946	1.8
165.12769	2.1
166.07689	1.8
167.08563	5.8
168.09297	2.1
169.10112	18.2
171.08023	1.5
171.11670	21.4
173.09602	1.8
173.11801	3.0
173.13213	17.1
175.11224	3.8
175.14824	4.8
177.12724	2.6
179.08531	2.5
179.14412	1.6
181.10164	8.1
183.11673	16.6
184.12389	1.7
185.09628	1.7
185.13226	14.0
187.11102	1.9
187.13345	1.8
187.14783	6.7
189.11206	2.0
189.12729	3.1
189.16432	2.0
193.10172	2.9
195.11768	8.6
196.12381	1.3
197.13225	15.4
199.11147	1.6
199.14824	8.3
201.12727	1.9
201.16423	2.8
203.14349	2.0
207.11673	4.6
207.13647	1.5
209.13277	9.1
211.14839	10.8
213.12897	1.5
213.16408	6.5
215.14230	1.4
215.17976	2.8
221.13240	4.5
223.14883	6.6
225.16339	6.0
227.12798	4.8
227.17986	2.6
229.14276	3.1
229.19543	2.2
231.17493	2.0
235.14825	4.9
237.16455	3.9
239.14343	1.7
239.17979	4.4
239.97267	1.4
241.19559	4.0
243.15732	1.7
245.18976	2.0
247.20660	1.3
249.16408	1.5
251.17978	2.7
253.19614	1.9
255.21240	1.7
257.19052	4.9
259.20563	9.4
261.22141	1.4
271.20618	2.3
273.18597	2.7
275.20145	13.1
277.21698	2.4
283.20505	1.6
297.22278	1.6
301.25165	2.5
309.22281	1.8
313.21570	1.8
315.23251	3.2
315.59149	1.6
317.24841	2.1
321.22223	1.9
327.23145	1.8
333.24326	5.3
337.25189	2.7
337.28915	2.1
339.23343	2.2
341.24771	2.1
349.23599	6.9
353.24646	1.8
363.27020	2.5
365.28351	5.0
367.25974	1.8
377.28296	1.8
379.30109	3.3
381.31537	2.1
383.29498	1.9
421.30829	4.1
433.30957	2.2
435.32529	4.2
439.32645	1.9
453.33749	3.9
471.34610	3.4
472.35324	1.4
495.34760	1.7
497.37204	1.3
501.35703	2.0
505.40363	2.1
509.36340	2.4
513.35773	17.6
515.38788	8.1
525.35651	1.8
527.30054	2.5
527.37335	29.6
528.37463	3.9
533.39832	12.8
551.41028	12.2
555.36902	1.7
556.37061	1.5
589.42542	2.8
597.45154	1.6
607.34631	2.8
607.43469	54.5
608.43872	4.7
625.35962	3.9
625.44525	100.0
626.44739	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
53.03934	3.1
55.01876	5.9
55.05238	1.6
55.05508	31.7
57.03434	4.8
57.07050	2.9
59.04985	2.2
65.03928	2.5
67.05498	44.5
69.03415	3.3
69.07065	17.7
69.41147	6.8
71.04990	4.1
79.05492	28.7
79.38161	0.8
79.64929	0.8
81.03410	1.7
81.07050	44.9
83.04976	3.8
83.08614	18.1
85.06531	2.5
91.05474	27.6
93.07033	25.2
95.04966	4.9
95.05503	0.9
95.08604	25.0
97.06524	5.9
97.10165	14.0
98.21474	1.5
99.08075	1.3
103.05427	1.2
105.07027	27.6
106.50755	1.0
107.04934	2.0
107.08591	21.4
109.06510	2.2
109.10146	15.7
111.08080	2.9
111.11703	0.8
115.05462	2.6
117.07008	11.5
119.08568	20.2
119.09384	1.6
121.10145	10.0
123.08066	1.2
123.11689	13.3
125.09615	11.0
128.06232	5.3
129.07002	16.1
130.07770	1.3
131.08566	18.5
133.10120	17.8
135.08040	2.1
135.11687	7.0
140.41685	0.9
141.06972	6.5
142.07774	3.6
143.08539	20.2
144.09306	1.9
145.06544	0.8
145.10117	18.0
147.08035	1.4
147.11679	8.2
149.09636	3.5
149.13254	2.8
151.11159	1.6
153.09081	0.9
154.07808	2.6
155.08546	15.7
156.09329	2.6
157.10103	19.1
159.08026	1.2
159.11705	13.1
161.09576	1.6
161.13261	5.9
163.11107	1.2
165.07018	1.4
166.07767	0.8
167.08534	4.6
168.09367	2.8
169.10121	17.7
170.10838	2.1
171.08080	1.0
171.11671	17.6
172.12390	1.5
173.13240	10.3
175.14841	3.4
179.08571	2.9
180.09328	1.8
181.10104	8.8
182.10857	2.9
183.11685	17.1
184.12350	1.2
185.09657	0.9
185.13217	11.4
186.13916	0.9
187.11253	1.2
187.13280	5.2
187.14833	4.6
189.11195	6.7
189.16373	1.3
193.10178	3.3
195.11707	7.7
196.12421	1.8
197.13258	14.3
197.15128	1.6
199.14789	8.3
201.16412	3.6
207.11725	3.1
209.13249	8.2
210.14011	1.7
211.14801	10.3
213.16370	5.3
215.17996	1.8
219.11775	1.0
221.13284	3.4
223.14809	3.8
225.16431	6.0
227.12704	7.3
227.17953	5.2
229.19476	1.1
233.13345	1.8
235.14816	2.2
237.16408	3.7
239.18115	4.1
241.19572	2.8
243.15858	5.3
247.14737	1.3
247.20444	1.4
249.16389	1.3
251.18001	2.9
253.19473	3.5
255.21059	1.3
257.19040	2.7
259.20636	3.4
263.18024	1.5
265.19522	2.1
267.21146	2.3
275.20206	4.9
277.21854	1.4
283.20407	1.4
291.53992	1.0
293.22617	0.9
295.20319	1.4
295.24347	0.9
297.22165	2.3
309.21896	1.8
313.21835	0.9
315.23056	1.4
327.23340	1.0
333.24228	2.0
337.24908	0.9
337.28656	1.3
339.26910	1.4
347.27332	1.3
349.23953	1.4
363.26959	2.7
365.24304	1.5
365.28375	11.8
367.26111	1.2
381.27521	1.2
381.31659	4.3
383.29584	4.9
391.29471	1.0
417.05276	1.1
419.29166	1.1
421.31052	2.4
422.31760	1.1
439.31982	5.6
456.19955	1.0
463.32230	1.4
481.33231	1.0
497.37808	1.3
513.35681	5.0
515.38947	5.8
527.37219	1.5
533.39746	10.4
543.36578	1.0
551.41052	6.0
555.36584	1.1
589.42059	2.3
607.43536	34.7
608.43927	2.1
625.44531	100.0
626.45160	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01871	11.0
55.05507	32.1
57.03430	7.9
57.07071	3.4
59.04997	3.2
62.02393	1.1
65.03931	4.0
67.05503	58.5
69.03435	2.2
69.07066	26.7
71.04987	5.1
75.94422	1.1
79.05492	36.9
81.03437	2.1
81.07052	51.0
83.04979	5.6
83.08616	15.7
85.06561	3.1
91.05478	30.5
92.05829	1.2
93.07042	35.2
95.04972	6.0
95.08600	35.7
97.06524	11.6
97.10168	13.0
98.20713	2.2
99.08081	2.5
99.99767	1.1
103.05502	1.4
105.04558	1.2
105.07026	32.8
105.07700	2.4
107.04969	3.4
107.08577	24.8
109.06530	3.9
109.10149	19.6
111.08098	2.9
113.09599	1.8
115.05437	2.7
117.07002	20.7
119.08583	30.4
121.06519	1.9
121.10133	15.9
122.01312	1.1
123.08060	4.1
123.11689	8.6
125.09618	11.1
128.06221	5.9
129.06998	19.1
130.07758	1.4
131.08557	26.2
133.10132	24.7
135.08063	3.2
135.11673	8.4
137.09543	1.6
137.13293	1.4
139.11203	2.3
141.06976	8.0
142.07715	5.4
143.08559	20.0
144.09366	1.9
145.06406	2.3
145.10120	21.7
147.11676	13.9
149.09647	4.9
149.13254	4.2
151.11157	2.5
153.07031	1.4
154.07796	1.7
155.08560	17.2
156.09319	4.5
157.10117	21.4
159.08057	1.9
159.11705	16.6
161.09634	1.8
161.13240	7.4
163.11169	3.6
163.14832	1.5
166.07707	1.3
167.08595	6.9
168.09459	2.4
169.10114	18.4
171.11678	16.7
173.13268	12.8
175.11237	1.3
175.14832	3.9
177.12712	2.0
179.08557	2.8
180.09496	1.1
181.10098	10.5
182.10890	2.6
183.11699	16.0
185.09677	2.2
185.13225	15.4
187.11380	1.8
187.13278	2.9
187.14859	5.1
189.11230	4.3
189.12764	1.4
189.16461	2.0
193.10179	3.6
195.11707	7.9
195.13406	1.1
197.13272	14.9
199.11186	2.0
199.14822	9.6
200.11893	1.2
201.12834	1.9
201.16353	3.2
205.10103	1.3
205.16051	1.2
207.11734	4.1
208.88513	1.2
209.13287	10.2
211.11250	1.3
211.14738	9.6
213.16330	6.7
215.14273	1.2
215.17989	1.6
221.13268	4.9
222.13931	1.3
223.14839	7.2
225.16364	7.4
227.12723	6.3
227.18016	4.0
229.14336	1.5
231.17357	2.1
233.13182	1.8
234.42049	1.3
235.14734	2.7
237.16473	5.8
239.17880	5.5
241.19537	5.1
243.16025	3.1
247.14903	1.3
249.16394	2.5
251.17938	4.3
253.19493	2.5
255.17578	1.7
255.21092	2.0
257.19016	2.6
259.20627	5.2
261.22202	1.8
267.21167	1.7
269.19000	1.2
273.18674	1.7
275.20081	10.9
277.19281	1.7
283.20761	1.5
285.22113	1.3
291.20325	1.2
297.22168	2.0
299.20193	1.5
302.21924	1.6
309.22238	1.8
311.23581	1.9
315.23199	1.4
325.21481	1.9
327.23135	1.4
333.24191	2.9
339.27158	1.4
349.24094	4.3
363.26614	1.3
365.28381	5.9
379.30368	2.7
381.31540	3.2
383.29413	3.3
384.74710	1.3
407.29672	1.5
421.30984	3.7
437.34079	2.6
438.89029	1.6
439.32068	5.3
445.30582	2.0
453.33749	1.9
495.34924	2.2
497.26233	1.4
513.35742	21.7
515.38965	6.8
527.37335	4.1
533.39899	10.8
537.35651	2.3
551.41174	6.8
553.39313	1.5
555.36890	1.7
589.42578	3.0
597.45123	1.9
607.43542	43.0
608.44037	3.7
625.44568	100.0
626.44849	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01872	37.2
55.05509	41.0
57.03434	9.0
57.07062	4.2
61.84499	2.3
65.03932	5.9
67.05502	89.7
69.03429	8.7
69.07064	93.6
70.66222	8.0
71.05002	4.7
79.05487	69.8
81.03403	6.4
81.07050	82.0
82.21140	2.2
83.04973	13.2
83.08617	15.7
85.06538	4.8
91.05473	65.9
93.07038	66.0
95.01317	3.0
95.04964	35.2
95.08598	58.2
97.06525	44.1
97.10160	10.7
99.08109	5.2
103.05470	3.1
105.04436	2.7
105.07028	71.6
107.04958	18.7
107.08598	41.0
107.62757	2.3
109.06511	9.7
109.10147	18.8
110.48463	2.4
111.08081	5.6
115.05472	4.9
117.07006	28.6
119.08567	52.4
121.06490	6.9
121.10146	21.3
123.08072	7.7
123.11700	6.6
125.09652	8.3
128.06250	8.0
129.06985	20.7
130.07709	3.7
131.08551	38.1
133.06535	5.7
133.10124	42.9
135.08067	8.3
135.11688	19.4
137.09631	3.4
141.07005	7.1
142.07727	3.1
143.08563	29.6
145.06448	4.1
145.10115	39.6
147.08014	5.4
147.11671	27.7
149.09624	9.6
149.13260	9.0
153.06998	2.4
154.07739	4.1
155.08514	13.8
157.10091	23.0
159.08107	4.5
159.11687	33.8
161.09679	5.2
161.13264	20.9
163.11130	4.8
163.14743	3.6
165.09161	2.6
167.08585	5.3
169.10141	19.4
171.10280	4.4
171.11717	18.4
173.09526	3.1
173.13234	20.4
175.11235	5.4
175.14854	12.6
177.12730	6.0
179.14363	6.6
181.10168	9.8
183.11693	11.3
185.13242	18.3
187.11163	2.9
187.14874	7.9
193.10107	4.1
195.11719	12.3
195.13556	3.2
196.12442	2.7
197.13199	12.4
199.11145	3.5
199.13252	2.6
199.14740	12.4
209.13269	7.4
211.14819	6.3
213.12874	3.0
213.16492	4.2
223.14937	8.0
225.16463	4.6
227.17917	3.5
235.14732	3.0
237.16309	4.6
239.17989	6.5
241.19550	16.9
245.19037	3.1
257.18988	5.7
259.20483	20.1
273.18478	15.3
275.20056	40.0
277.21750	2.8
285.21997	3.2
291.19501	34.9
293.21021	3.3
295.20624	2.8
297.22318	2.8
315.23343	5.3
323.23868	3.4
333.24274	15.3
335.26270	3.5
337.25366	3.5
343.86441	2.6
349.23718	18.5
395.29303	4.1
409.30850	3.1
417.31146	3.2
419.33209	4.4
435.32669	10.7
437.34186	19.2
445.30801	3.3
477.22064	2.7
483.34665	4.8
501.35617	3.3
509.36795	4.1
511.38208	13.1
513.35431	7.5
515.38983	4.9
527.37305	6.5
529.39093	7.8
533.39972	9.9
551.41040	8.3
555.09454	2.7
555.36975	6.0
556.38086	4.6
597.44476	2.8
607.43573	56.8
608.43689	5.0
625.29211	15.2
625.44629	100.0
626.44806	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	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03936	5.0
55.01869	29.3
55.05505	27.7
55.41434	1.3
57.03202	1.1
57.03436	9.1
57.07066	2.7
60.36421	1.2
62.68244	1.3
65.03938	5.0
66.97102	1.2
67.05502	59.6
69.03424	3.8
69.07066	54.8
71.04978	3.5
71.08633	2.2
79.05489	46.0
80.05795	1.1
81.03416	5.3
81.07052	63.6
83.04984	7.8
83.08617	13.4
85.06548	3.4
91.05477	51.8
93.07038	42.2
95.01366	2.4
95.04963	9.3
95.08600	42.9
97.05531	1.5
97.06523	30.8
97.10165	7.2
99.08113	3.6
103.05452	1.7
105.04508	1.8
105.07025	52.1
107.04952	7.8
107.08580	25.6
109.06513	5.0
109.10155	15.7
111.08077	3.8
115.05473	2.2
117.07008	21.4
119.08573	38.6
121.06476	2.9
121.10139	15.7
123.08063	4.7
123.11694	3.6
125.09616	6.0
128.06244	4.8
129.06989	18.5
130.07788	2.6
131.08554	34.9
131.09547	2.2
133.10117	31.2
135.08046	5.0
135.11687	13.3
137.09628	3.3
139.11230	1.5
141.06978	8.7
142.07784	5.0
143.08556	23.1
144.09315	2.6
145.06462	3.1
145.10112	31.9
147.08046	3.1
147.11670	21.7
149.09573	7.7
149.13269	6.0
151.11218	3.4
154.07726	1.9
155.08571	13.5
156.09348	3.2
157.06538	1.5
157.10130	22.7
159.08144	1.9
159.11693	26.0
161.09671	3.0
161.13229	12.2
163.11205	6.0
163.14845	2.6
165.07045	1.7
165.12836	1.8
167.08578	6.0
168.09444	2.2
169.10118	14.4
170.10809	1.8
171.08076	1.5
171.11673	20.2
173.09683	1.8
173.13261	11.0
175.11215	2.2
175.14864	5.4
177.12794	4.0
179.08522	1.8
179.14355	3.4
181.10107	9.9
183.11713	14.6
185.09729	1.4
185.13239	17.0
187.11174	1.9
187.14839	7.4
189.12729	2.2
189.16414	2.3
193.10184	4.2
195.11685	11.9
195.13501	2.0
197.09702	1.6
197.13223	12.3
199.11177	3.0
199.14807	7.8
201.12729	1.9
201.16423	2.7
203.14314	1.8
207.11667	4.4
209.13176	8.4
211.14812	7.5
213.12834	1.8
213.16408	4.4
215.17911	2.4
217.15878	1.9
221.13307	4.3
223.14865	6.0
225.12933	1.8
225.16382	4.9
227.17981	3.1
229.15982	1.7
231.21349	1.6
235.14879	3.1
237.16440	3.3
239.17955	5.3
241.19511	10.7
247.17157	1.5
247.20616	1.4
249.16417	2.1
251.17924	1.9
255.17320	1.8
257.18945	6.4
259.20590	15.0
263.20288	2.4
269.19116	1.6
271.20621	3.1
273.18500	5.8
275.17316	2.7
275.20093	30.4
276.20380	2.3
277.21622	3.1
279.21204	1.7
289.21637	2.5
291.19312	1.7
293.21158	2.5
297.22144	2.5
309.21960	2.2
313.21664	1.7
315.23236	3.0
323.23404	2.7
325.21689	1.9
325.25165	1.7
327.26974	1.7
333.24258	11.9
337.25262	1.8
339.23260	2.6
341.24985	1.5
349.23721	16.2
367.26294	2.2
393.27640	1.7
395.29156	1.9
409.30756	1.9
419.33203	2.2
435.32730	5.0
437.34137	12.3
439.32315	2.0
445.30673	1.8
455.35580	1.4
459.32394	1.5
463.31897	1.8
473.33087	1.6
483.34750	1.6
495.34714	2.5
501.35565	2.0
505.40286	2.9
509.36237	3.7
511.37854	10.1
513.35699	13.5
515.38654	9.1
527.37299	8.4
529.39020	3.9
533.39923	13.9
537.35699	2.3
551.40723	9.6
555.36914	3.1
556.37469	3.5
569.42169	1.9
580.19348	1.5
589.42316	2.8
597.44989	2.6
607.43512	56.1
608.43677	2.9
625.44525	100.0
626.44824	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03941	5.8
55.01872	47.0
55.05510	39.0
56.15339	1.2
57.03431	9.8
57.07063	5.5
61.05147	1.1
65.03934	4.1
66.05357	1.1
67.05503	76.6
69.03426	3.0
69.07066	95.1
71.04977	5.6
71.08618	4.5
71.51720	1.6
79.05013	1.5
79.05489	59.5
81.03417	7.7
81.07053	82.2
82.07378	1.2
83.04975	11.8
83.08611	15.4
85.06538	6.1
91.05478	76.7
92.86469	1.1
93.07039	65.2
95.01332	7.2
95.04956	15.0
95.08601	57.9
97.06525	55.8
97.10175	7.3
99.08089	5.8
103.05482	2.9
105.04492	1.9
105.07025	82.9
106.07348	2.1
107.04953	17.9
107.08585	36.4
109.06539	7.0
109.10155	21.8
111.08082	5.1
115.05462	3.4
116.06220	1.1
116.16620	1.2
117.07014	31.4
119.08579	58.4
121.06483	6.2
121.10140	21.9
123.08078	6.1
123.11714	5.2
125.09632	7.6
128.06221	6.8
129.05530	2.0
129.07004	26.0
130.07785	2.8
131.08557	54.7
133.06540	3.0
133.10120	42.3
135.08058	5.0
135.11681	17.3
137.09633	4.7
139.07422	1.3
139.11214	2.6
141.06981	9.5
142.06702	1.2
142.07710	6.2
143.08559	34.7
145.06494	4.3
145.10120	48.7
147.08041	3.6
147.11690	32.7
149.09628	11.4
149.13248	9.0
151.11191	3.5
153.07022	2.8
153.12747	1.3
154.07733	2.6
155.08545	22.4
156.09348	3.4
157.10118	29.6
157.11319	1.9
159.08052	3.7
159.11688	36.5
161.09634	2.6
161.13248	21.9
163.11218	9.0
163.14937	3.8
165.07030	2.0
165.09085	1.6
165.12793	1.7
166.07877	1.6
167.08557	8.9
168.09315	3.4
169.10133	23.2
170.10837	1.7
171.08046	3.3
171.10165	5.0
171.11646	34.2
172.12083	1.2
173.09673	2.5
173.13248	22.3
175.11252	4.0
175.14809	11.5
177.12781	4.4
179.08600	3.8
179.14268	9.9
180.09416	2.3
181.10112	15.9
182.10815	1.7
183.08151	1.4
183.11690	24.4
183.13240	2.0
185.09688	2.0
185.13225	21.5
187.11160	4.1
187.14796	8.0
189.12759	2.4
189.16394	1.5
191.14380	1.7
192.09332	1.5
193.10144	5.3
195.11678	14.2
197.13245	14.9
199.11205	2.7
199.14780	15.3
201.12798	1.5
201.16403	4.9
205.10138	1.5
205.12222	1.5
207.11629	6.7
209.13232	11.7
211.11311	1.5
211.14766	10.0
213.12790	3.5
213.14621	1.2
213.16434	5.6
215.14284	1.4
215.17967	2.9
217.15976	2.7
217.19531	2.4
219.11687	1.6
219.17438	2.5
221.13295	5.7
223.14818	8.3
225.16304	6.2
227.14417	2.7
227.17961	3.1
229.19595	3.0
231.17474	2.8
231.21104	3.2
233.13181	1.7
235.14850	3.3
236.15291	1.6
237.16472	3.8
239.17996	5.3
241.19507	21.2
243.17621	1.8
243.21152	1.6
245.19005	2.0
247.14847	1.7
247.20667	2.1
249.16515	1.6
251.18082	3.4
255.17451	1.7
257.18973	9.8
259.20547	27.2
259.23056	1.9
263.17892	1.7
265.19553	2.5
267.17438	1.3
267.21121	2.2
269.18967	1.5
271.20569	1.8
273.18613	2.9
275.20059	45.1
276.20483	1.7
277.21710	5.1
279.21228	1.4
283.20590	3.0
285.18509	1.5
285.22153	3.1
291.19611	3.4
293.21326	4.5
297.22147	3.5
299.23810	2.2
309.22327	1.5
311.20163	1.4
311.23636	2.0
313.21835	2.7
313.25131	1.5
315.23209	6.2
321.21960	2.3
323.23517	1.8
325.21701	1.6
325.25250	2.1
327.23273	2.4
329.24762	1.3
329.28400	1.7
331.22702	1.8
333.24283	22.2
337.25351	3.4
339.23294	1.9
339.26947	2.0
349.23712	32.9
351.25552	2.9
353.24985	2.0
355.26385	1.9
365.24551	2.0
367.25970	1.5
391.30042	1.6
409.30634	2.3
417.31525	3.4
419.33325	5.8
421.31134	3.9
435.32678	7.8
437.34161	20.0
445.30618	2.7
453.33896	3.0
455.34903	1.9
473.33786	1.7
475.35944	3.2
481.32889	1.3
483.34647	1.6
487.33578	1.6
493.36871	4.1
497.37735	1.5
501.35556	3.0
505.40274	2.6
509.36050	3.8
511.37909	14.5
513.35858	11.2
515.38971	8.5
527.37329	10.9
528.38043	1.8
529.38922	7.6
533.39844	12.2
551.41003	7.9
553.39624	1.4
555.37030	5.1
556.37372	3.4
569.42035	1.8
589.42694	3.5
597.45007	4.0
607.43506	57.3
608.43823	5.4
625.44592	100.0
626.45197	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01873	13.8
55.05508	40.1
57.03437	8.4
57.07063	4.5
59.04988	1.4
65.03934	3.9
67.05500	65.6
68.05835	1.2
69.03412	2.8
69.07069	31.2
71.04984	3.6
71.08626	2.1
74.02345	1.0
77.03922	1.1
79.05489	47.5
81.03400	2.5
81.07050	65.5
83.04977	6.5
83.08617	19.2
85.06538	2.5
86.60099	0.9
89.67616	1.0
91.04902	2.1
91.05476	42.3
93.07038	39.9
95.04961	11.2
95.08604	38.7
97.06519	14.0
97.10158	10.4
99.08066	2.4
101.05972	0.9
103.05457	1.3
104.76756	0.9
105.06306	2.4
105.07021	43.1
107.04927	6.1
107.08588	32.0
109.06514	5.5
109.10155	25.2
111.08095	3.1
113.09616	1.0
115.05447	3.6
116.06181	1.9
117.06235	1.8
117.07018	22.6
119.08578	33.9
121.06541	1.8
121.10128	16.1
123.08049	3.0
123.11704	8.8
125.09609	7.1
128.06241	5.5
129.07011	20.5
130.07787	2.7
131.08556	31.1
133.06482	2.0
133.10124	26.7
135.08047	4.5
135.11693	10.1
137.09616	2.3
139.11176	1.8
141.06956	10.1
142.07762	4.2
143.07397	1.6
143.08542	28.4
144.09338	2.0
145.06474	2.3
145.10109	30.6
147.08054	2.7
147.11696	15.5
149.09590	4.8
149.13261	5.2
151.11177	2.4
153.06970	1.5
154.07790	2.1
155.08531	16.4
156.09331	2.2
157.10130	23.0
159.08073	2.3
159.11682	21.1
161.09648	2.5
161.13249	9.5
163.11211	4.0
163.14799	2.3
165.06938	1.6
165.12772	1.2
167.08545	7.0
168.09311	2.0
169.10114	22.8
171.08064	1.3
171.11676	21.8
173.09538	1.5
173.11769	2.4
173.13266	12.0
175.11276	2.8
175.14751	4.7
177.12741	2.0
177.16418	1.2
179.08525	3.1
179.14278	2.2
180.09290	1.5
180.40956	1.0
181.10126	11.1
182.10887	1.9
183.11691	17.3
184.12419	1.6
185.13260	16.8
187.11172	1.5
187.13298	1.5
187.14786	6.7
189.11247	4.1
189.12772	1.8
189.16437	2.6
192.09276	1.4
193.10144	3.9
194.10933	1.1
195.11670	9.6
196.12506	1.8
197.13255	14.1
199.14769	10.9
201.12801	2.3
201.16420	4.0
205.10190	1.5
207.11707	3.9
209.13251	10.5
210.13979	1.1
211.11388	1.7
211.14821	11.1
213.12766	1.4
213.16446	4.7
215.14378	2.9
215.17844	1.5
217.15880	1.0
217.19463	1.4
219.11716	2.3
221.13219	3.9
221.15228	1.1
223.14871	6.6
225.12872	1.2
225.16316	5.2
227.12798	3.4
227.18001	3.4
229.14398	3.2
229.19591	2.3
233.13243	1.8
235.14865	2.1
237.16452	5.1
239.14384	1.8
239.17918	4.7
241.19426	4.9
243.15858	1.1
247.14839	1.6
249.16397	2.3
251.17984	2.6
253.19482	2.9
255.17439	1.6
257.18997	3.8
259.20541	6.9
261.22076	1.6
263.17883	2.3
265.19601	2.4
267.21115	2.2
273.18518	1.8
275.20157	8.9
277.21881	2.2
283.20609	1.7
290.97977	1.1
291.19553	2.2
295.20502	2.0
297.22321	1.7
299.23633	1.2
309.21951	1.4
311.23657	1.8
313.21606	1.9
315.23151	2.5
319.24124	1.2
323.23737	3.2
327.23419	1.3
329.24536	1.3
333.24445	5.2
341.25061	1.9
349.23645	5.7
353.24820	1.7
361.25165	1.3
363.26984	1.2
365.28439	6.0
375.26883	1.6
377.28293	2.1
379.30026	4.2
381.31531	2.8
383.29584	2.7
391.30280	1.2
395.29471	1.3
397.31259	1.3
403.29883	2.0
407.29083	1.7
421.31033	4.3
435.32516	2.0
437.34512	1.3
439.32031	3.9
465.33136	1.2
495.34711	2.6
499.34128	1.1
513.35785	23.8
515.38806	8.3
527.37341	5.5
533.39899	11.5
537.35754	1.6
538.36768	1.1
551.41162	8.5
555.37177	2.2
589.42517	3.1
597.45709	1.6
607.43549	45.7
608.44464	2.2
625.44556	100.0
626.44611	4.5
649.98254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.2
55.01873	11.6
55.05509	30.5
56.67019	3.8
57.03429	6.7
57.07066	10.3
59.07772	4.2
67.05502	49.3
69.03422	29.5
69.07069	55.4
69.44115	12.6
69.44535	21.7
71.04990	13.5
75.42905	3.5
78.50092	3.8
79.05504	46.1
81.03419	57.0
81.07052	100.0
83.04978	20.9
83.08620	18.9
85.02908	27.3
85.06537	15.4
86.38465	4.1
91.05460	42.1
93.07046	89.0
95.04945	27.1
95.08603	88.3
97.02890	17.4
97.06519	32.8
97.10168	17.9
98.20780	9.5
99.04444	16.8
101.06081	4.9
105.07037	66.2
106.38783	4.5
107.04961	13.2
107.08590	79.3
108.08908	5.3
109.02869	37.5
109.06514	23.9
109.10146	67.0
109.21999	4.1
109.37155	4.4
111.04469	10.1
111.08087	15.1
111.11725	8.3
112.12123	4.8
113.05971	5.8
117.07051	10.9
119.04946	13.8
119.08583	51.0
121.06503	33.3
121.10136	51.6
123.04430	16.2
123.08067	11.6
123.11693	33.3
125.06004	7.9
125.09653	10.6
127.03942	31.2
129.07031	10.4
131.08571	16.3
133.06508	4.8
133.10118	41.5
135.04401	8.4
135.08057	18.0
135.11699	33.4
137.06006	11.7
137.09630	14.9
137.13258	9.1
139.03893	9.5
139.07596	9.1
139.11156	8.5
143.07097	5.4
143.08539	12.1
145.02863	8.4
145.06473	8.7
145.10115	27.7
147.04396	19.9
147.08047	11.7
147.11678	48.9
149.09605	9.1
149.13234	34.0
151.07497	6.0
151.11200	10.1
153.01901	8.0
153.05362	4.7
153.12737	4.7
155.08530	5.2
157.10121	15.7
159.08035	7.0
159.11681	19.7
161.05916	8.1
161.09610	13.0
161.13280	13.5
163.03862	7.5
163.07613	7.0
163.11192	6.2
163.14856	13.2
165.12753	22.4
167.07022	9.5
169.12213	8.6
171.08086	4.6
171.11731	15.3
173.09644	8.8
173.13261	10.7
175.03983	12.5
175.07518	4.6
175.11192	20.6
175.14821	10.8
177.05438	40.9
177.09070	5.7
177.12817	4.9
181.04968	12.2
181.10129	7.5
183.11754	7.3
184.07375	10.0
187.11209	6.1
187.14784	6.2
189.12776	13.6
189.16429	6.2
191.03453	8.4
191.14426	10.4
193.05019	9.7
193.12285	13.4
199.11188	13.2
205.12070	4.1
207.06555	17.3
207.13882	8.7
211.13240	9.8
211.15022	6.4
211.16905	4.4
213.05551	5.7
213.16472	5.8
215.10721	3.8
217.12279	35.6
231.06750	4.9
235.13274	40.7
250.51837	5.5
251.42447	4.5
253.14363	36.3
259.24020	5.9
267.06363	10.4
269.22678	6.4
271.09656	6.4
271.15509	6.9
277.25247	5.4
285.07526	6.4
287.23740	11.3
293.61652	4.6
303.23480	5.9
305.24701	32.4
317.06564	20.2
321.24182	8.5
323.25671	9.6
331.07950	5.3
331.81897	4.4
349.35394	4.8
397.18622	5.7
413.26773	6.3
431.27985	14.2
445.29523	4.6
449.28885	31.9
467.30286	13.5
473.19971	5.5
625.22345	5.1
625.32184	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50425	0.6
51.02363	0.9
53.03934	1.9
55.01859	4.3
55.05505	20.2
57.03431	3.7
57.07063	3.1
59.05000	1.3
65.03924	2.1
67.05500	37.6
68.05829	0.9
69.03420	2.0
69.07059	12.2
71.04990	3.8
71.08624	1.4
79.05486	27.6
81.03413	5.6
81.07049	33.2
83.04969	4.4
83.08611	12.1
85.06544	2.0
91.05473	22.0
92.05801	1.1
93.07032	21.9
94.07420	0.6
95.04961	7.5
95.08601	18.2
97.06533	4.3
97.10156	8.4
98.98460	12.5
99.08072	1.0
103.05419	1.0
105.04433	0.7
105.07018	21.4
107.04948	3.6
107.08579	15.4
109.06513	2.9
109.10152	13.7
111.04375	0.7
111.08080	2.3
115.05434	1.4
116.99511	0.9
117.07008	10.8
119.08565	17.4
119.09380	1.1
121.06499	3.0
121.10129	8.6
123.08057	1.9
123.11724	3.3
125.09625	8.2
128.06224	1.5
129.07002	9.3
130.07738	0.9
131.04915	0.9
131.08556	16.5
133.06529	1.7
133.10106	11.6
135.08063	3.7
135.11690	4.8
137.09621	2.1
141.06934	3.6
142.07779	1.6
143.08563	11.1
143.10620	0.9
144.09219	0.9
145.06476	2.9
145.10101	15.2
147.08072	2.5
147.11693	7.7
149.09622	3.1
149.13287	2.8
151.11128	0.9
153.09082	3.5
154.07784	1.1
155.01079	3.2
155.08536	7.1
156.09271	0.9
157.10098	9.6
159.08046	2.9
159.11673	9.0
161.09604	2.0
161.13264	3.6
163.11183	2.3
163.14818	1.4
165.12709	1.2
167.08565	2.4
168.09384	1.0
169.10103	8.1
171.11644	7.4
173.02110	0.9
173.09579	2.0
173.11800	1.5
173.13280	5.4
175.11212	1.7
175.14841	2.9
177.12781	1.9
177.16475	0.8
179.08565	0.8
179.14435	1.0
181.10071	3.6
182.10867	0.7
183.11642	6.0
185.09631	1.2
185.13234	5.5
187.11154	1.6
187.14893	3.6
189.11209	2.3
189.16280	1.6
193.10132	1.3
193.12199	1.3
195.11732	2.7
195.13689	0.7
197.09479	0.8
197.13301	5.0
199.11104	0.8
199.14839	4.2
201.12785	1.1
201.16441	2.6
203.17986	0.9
205.10109	0.9
207.11836	1.2
209.13258	2.0
211.14815	3.1
213.16364	2.1
215.14420	1.4
217.19629	1.1
219.17415	1.1
221.13277	1.3
223.14864	1.8
225.16449	2.0
227.12773	3.1
227.17885	1.6
229.14304	1.9
231.17413	1.3
235.14870	1.5
237.12624	0.8
237.16449	0.8
239.18098	0.7
241.15782	0.9
241.19516	1.9
243.21117	1.0
247.16948	0.8
257.18991	1.4
259.20630	1.7
261.22073	1.5
265.19681	1.0
267.15860	1.3
267.21072	1.4
271.16846	0.9
273.18478	0.9
273.25833	1.0
275.20117	3.4
276.20377	1.9
277.21729	0.9
281.22592	1.1
283.24225	1.3
285.21890	1.4
295.20700	0.9
297.22128	0.9
299.20575	0.9
299.23602	4.1
301.25220	10.9
309.22238	0.9
315.23215	1.3
317.24631	0.8
323.23737	1.0
325.25388	1.0
327.23102	1.3
337.25092	1.2
339.26868	1.1
341.24768	2.2
355.26312	2.6
357.27979	1.4
359.25586	1.0
373.27112	0.9
417.31586	2.3
425.33676	1.1
435.32452	7.6
445.29657	1.5
453.33594	9.8
463.30527	1.6
471.34717	9.6
473.34149	1.2
479.45154	0.8
491.34937	1.1
509.36246	11.1
513.35730	2.2
515.38434	1.3
527.37286	100.0
528.37726	5.5
533.39716	2.0
545.38196	1.7
589.32483	1.1
607.33850	8.8
607.43524	5.8
625.34863	12.6
625.44464	15.0
645.27838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01865	1.6
55.05508	3.6
57.03416	0.7
65.76971	0.9
67.05504	8.9
69.03410	0.9
69.07063	3.9
69.82780	4.0
71.08599	0.9
79.05488	7.3
81.03423	0.9
81.07056	6.6
83.04967	1.5
83.06197	0.7
83.08613	1.2
91.05450	4.6
93.07039	6.2
95.04967	2.1
95.08059	0.7
95.08603	4.2
97.06523	1.8
97.10174	1.4
98.21539	0.9
102.19707	0.7
105.07043	4.9
107.04975	1.5
107.08608	3.6
109.06534	1.9
109.10157	2.7
113.06013	0.8
117.07020	2.7
119.08557	3.5
121.10130	1.6
129.07027	1.5
131.08578	3.2
133.10141	3.0
135.11662	1.8
143.08598	2.0
145.10118	2.8
147.11684	2.0
149.13339	1.1
157.10228	1.8
159.11690	1.7
161.13371	1.1
171.11674	1.7
173.13255	1.8
179.14246	1.4
183.11633	1.0
241.19463	1.0
273.18573	1.8
275.20126	3.3
277.21729	1.6
291.19659	2.8
326.16571	0.8
342.20047	0.9
355.77133	0.9
365.18494	0.8
375.16205	1.0
377.17624	1.5
389.17822	1.0
390.18372	1.9
391.19089	4.9
392.19937	3.9
393.21094	0.9
400.78174	0.9
403.19553	1.2
404.19833	2.1
405.20752	10.3
406.21524	3.4
407.22342	7.4
419.22452	4.8
420.22977	3.9
421.16348	1.1
421.18045	1.2
421.23862	8.5
422.17731	1.2
422.24643	1.8
433.24219	1.5
434.24536	3.2
435.18170	2.2
435.25421	1.1
436.19128	2.8
437.19586	1.6
447.21475	1.4
449.19937	2.2
450.20416	1.6
451.21304	23.0
452.22003	5.2
460.23511	1.1
461.23297	1.9
463.21185	0.9
464.22025	2.2
465.22821	15.9
466.23618	3.3
475.20361	1.2
475.25677	1.4
478.23630	1.7
479.24536	3.6
487.21152	1.7
488.22202	1.3
491.20941	2.1
492.21326	2.1
493.25977	12.5
494.26678	2.4
502.23535	1.0
503.24542	9.4
509.21619	4.0
521.25421	8.0
523.23395	9.2
526.25665	1.1
527.37415	1.1
537.25067	6.6
538.25732	25.0
539.26318	1.0
547.23279	3.1
565.24347	11.8
566.25592	3.5
581.27600	7.6
607.25732	8.4
607.43488	2.2
625.26538	100.0
625.44556	8.1
626.26666	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	625.1757
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.28170	0.1
51.92427	0.1
53.03937	0.2
54.05801	0.1
55.01866	0.3
55.05494	0.2
57.03432	1.8
57.84761	0.1
61.02929	0.6
65.03920	0.2
67.01894	0.1
69.03419	0.9
69.91349	0.8
71.04990	8.9
73.02912	0.4
75.04458	0.4
81.03413	0.6
81.60159	0.1
83.04961	0.3
85.02902	11.4
87.04467	0.2
91.03930	0.2
93.03394	0.3
95.04971	0.2
97.02881	1.0
99.04456	0.2
109.02877	0.4
111.04440	0.3
121.02842	0.6
123.04415	0.9
124.01562	0.3
125.02338	0.5
127.03917	0.5
127.88010	0.1
129.05475	2.3
133.51997	0.1
134.03773	0.1
137.02336	1.8
137.03334	0.3
141.05502	0.3
145.02884	0.2
145.04956	0.6
147.06534	0.9
149.02374	0.3
151.03882	0.7
163.03909	0.4
167.03392	2.6
177.05437	0.3
179.03383	1.3
180.04109	0.2
183.04411	0.2
187.07442	0.2
191.03302	0.2
197.04379	0.7
200.04628	0.1
209.04501	0.3
215.06972	1.2
228.04208	0.3
233.07976	0.2
243.06517	2.8
250.55052	0.2
256.03601	0.2
261.07574	0.5
271.05991	1.6
273.03873	0.3
274.04694	2.1
288.06268	0.7
289.06979	0.2
299.05438	0.6
299.44153	0.1
302.04163	2.3
317.06537	100.0
318.06906	1.3
351.57999	0.1
479.11716	0.4
612.06335	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	623.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03943	10.1
55.01874	9.7
55.05238	2.2
55.05506	32.6
57.03436	19.2
57.07055	3.3
59.05009	1.9
65.03929	8.0
67.05502	94.4
68.05825	1.7
69.03439	10.6
69.07066	29.8
69.18557	16.3
71.01344	1.4
71.04981	9.3
73.02927	1.6
77.03896	1.4
79.05488	74.4
81.03410	36.2
81.03871	2.3
81.07049	75.3
83.04980	14.1
83.08619	14.4
85.02893	7.4
85.06538	14.1
91.05476	79.1
92.04140	1.2
93.07038	69.4
95.01320	2.8
95.04961	65.5
95.08604	50.7
97.02899	6.2
97.06521	15.3
97.10159	9.5
98.21584	3.0
99.04465	3.1
99.08097	3.3
103.05447	3.7
105.07028	58.3
107.04941	16.4
107.08591	40.3
109.02880	4.5
109.06507	44.9
109.07259	1.5
109.10137	18.5
111.04469	3.7
111.08050	8.4
113.06007	23.4
115.05450	5.7
116.06223	2.9
117.07008	30.7
117.07762	2.4
119.04991	1.6
119.08572	40.3
119.09373	2.6
121.06492	9.7
121.10138	17.9
123.00723	1.4
123.04406	1.8
123.08077	9.3
123.11688	4.8
125.09629	4.2
127.03943	4.4
128.06242	6.4
129.06987	23.1
130.07811	1.5
131.04900	1.8
131.08557	45.2
131.09547	2.6
133.06516	6.0
133.10124	31.1
135.08055	21.6
135.11673	20.9
135.12608	2.2
137.09637	4.2
141.06975	8.6
142.07759	3.1
143.08536	20.6
145.06500	5.4
145.10110	31.8
147.08070	6.2
147.11682	24.0
149.09583	9.2
149.13240	8.5
151.11217	2.9
153.07092	2.0
154.07806	2.1
155.08514	10.7
157.06509	1.6
157.10126	20.6
159.08072	6.0
159.11682	20.3
161.09624	7.9
161.13277	9.2
163.11211	6.6
165.12720	2.9
166.07884	1.7
167.08585	6.1
169.10143	11.0
171.08121	3.1
171.11658	18.4
173.09650	2.8
173.13228	15.8
175.11198	5.2
175.14853	5.6
177.12778	5.7
179.08553	2.7
179.14345	3.7
180.09248	2.2
181.10085	9.1
181.12315	3.0
183.08076	1.5
183.11671	9.8
185.09636	3.8
185.13232	10.1
187.11234	6.4
187.14871	5.8
189.12750	3.7
189.16382	1.7
193.10156	4.4
193.12294	5.5
195.08113	2.0
195.11748	8.4
195.13719	2.4
197.13275	4.6
199.11232	5.7
199.14841	5.7
201.12756	2.2
201.16396	3.3
205.12267	2.7
207.11804	2.9
207.13785	5.5
207.41566	1.5
209.13281	4.9
211.11432	2.1
211.13113	7.3
211.14908	4.1
213.12825	1.6
213.16389	3.4
215.14383	2.5
215.17969	3.5
217.15863	7.5
221.13297	3.2
221.15343	2.1
223.11234	1.8
223.14894	3.6
225.16470	2.3
227.18025	2.1
233.13350	2.5
235.14862	2.5
237.12659	1.8
237.16389	2.2
239.17986	2.9
241.14203	2.8
241.19595	6.2
245.19040	2.0
255.15886	3.0
257.18985	7.1
259.20578	8.0
261.18585	1.5
267.15866	1.7
269.17456	1.7
273.18448	20.8
275.20029	13.6
279.15991	9.0
281.17606	6.0
291.19553	30.1
297.17169	1.8
307.67511	1.5
311.23743	2.3
315.23306	5.9
323.23663	2.3
325.21716	1.5
325.25302	3.6
327.26782	4.8
331.22708	1.8
333.24258	6.8
337.25235	1.7
347.22177	9.0
349.23880	3.1
353.24905	2.2
365.23996	2.9
399.20041	2.0
461.28937	16.9
479.30518	2.1
513.36981	3.9
525.35815	5.1
531.38306	6.8
549.39044	3.3
551.37512	1.7
565.39001	1.9
567.40112	2.3
595.43738	2.5
605.24194	2.9
605.33148	5.1
605.41992	20.0
623.34131	12.2
623.43036	100.0
624.24902	1.5
624.34338	2.4
624.43451	7.2
653.78766	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	623.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25746	1.2
50.32981	1.2
53.03939	7.3
55.01870	29.4
55.05510	38.5
57.03434	8.5
57.07083	2.3
65.03928	5.7
65.97416	1.4
66.04727	1.4
67.05502	84.2
69.03426	3.6
69.06680	2.7
69.07065	56.2
69.24999	12.5
71.04998	7.5
71.08617	1.9
78.86752	1.3
79.05018	2.5
79.05490	79.1
81.03417	13.6
81.07054	87.4
82.07380	1.7
83.04979	18.8
83.08618	15.4
85.06544	4.5
91.05477	90.7
93.07040	65.6
94.97851	1.5
95.01317	10.6
95.04969	28.2
95.05567	1.6
95.08601	56.2
97.02888	1.6
97.06524	46.6
97.10149	7.5
99.08064	2.4
103.05465	2.1
105.04521	3.9
105.07025	93.3
107.04951	25.7
107.08586	48.1
109.02802	2.0
109.06518	12.4
109.10153	22.0
111.04485	1.6
111.08093	4.9
113.09607	3.5
115.05466	4.8
117.07018	30.2
119.08576	54.3
121.06493	8.1
121.10134	18.8
123.04436	2.1
123.08048	8.1
123.11720	5.0
125.09645	8.3
128.06238	5.4
129.07014	12.2
130.07799	3.1
131.08556	44.2
133.06514	3.9
133.10127	49.3
135.08028	8.2
135.11707	12.4
137.09627	6.4
141.07007	6.0
142.07726	2.4
143.08553	12.9
144.09383	2.2
145.06509	3.1
145.10114	38.9
147.08064	2.7
147.11682	28.0
147.12810	2.8
149.09612	21.8
149.13268	6.2
151.11174	2.5
154.07748	2.0
155.08531	9.1
157.10117	16.2
159.08080	4.1
159.11691	25.5
161.09618	5.3
161.13249	11.4
163.11147	16.5
165.09140	3.2
165.12755	1.9
167.08604	3.9
168.09268	1.9
169.10158	9.7
171.11661	11.4
173.09634	3.0
173.11882	2.9
173.13191	11.7
175.11220	4.2
175.14871	2.0
177.12772	6.5
179.08609	2.4
179.14296	17.2
181.04926	1.4
181.10110	5.1
182.10828	2.2
183.11687	9.5
184.12364	1.5
185.13304	6.1
187.11211	5.0
187.14778	2.7
189.12790	1.6
191.14281	1.9
193.10233	3.0
193.12202	2.3
195.11745	6.7
197.09698	1.8
197.13203	8.5
198.10078	1.7
199.14886	2.8
201.16402	1.9
203.14320	1.6
205.10339	1.8
205.12183	2.6
207.11740	2.4
209.13249	6.1
211.14914	4.8
213.16458	2.6
215.14413	2.0
215.18002	3.7
219.11707	2.6
219.13716	2.1
221.13315	3.0
223.14893	2.8
227.14363	1.8
229.19521	5.3
235.14803	2.2
237.16425	3.1
239.18010	6.3
247.20653	5.0
257.19040	23.4
261.16537	1.6
273.18585	4.8
275.20065	100.0
276.20505	3.1
279.15979	1.5
293.21143	8.3
313.21597	2.3
313.77158	1.6
331.22775	6.4
333.24487	1.5
347.22385	2.4
349.23758	9.3
402.61664	1.5
435.32614	1.6
513.36353	2.3
525.36493	2.8
531.38446	5.1
549.39429	4.9
605.42090	13.4
623.43097	90.8
624.43042	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.1
52.60023	1.3
53.03941	12.4
55.01855	7.9
55.05509	31.7
57.03436	12.4
57.07056	1.9
61.02928	1.4
65.03928	3.5
67.05499	66.0
69.03427	19.6
69.07062	20.9
71.04990	10.1
73.02918	1.3
79.05489	46.5
81.03411	100.0
81.07050	68.0
81.07536	3.4
83.04972	24.4
83.08611	28.1
85.02890	23.4
85.06545	2.6
87.73959	1.4
91.05476	47.9
93.07038	47.3
95.04378	2.8
95.04958	34.9
95.08598	22.7
97.02879	20.0
97.06524	13.1
97.10158	6.6
99.04458	7.0
99.08076	3.3
103.05503	1.5
105.07020	39.2
107.04933	13.9
107.08585	29.5
109.02867	18.9
109.06506	7.2
109.10120	7.5
111.04443	14.0
111.08068	12.0
115.05408	3.5
117.06984	12.1
119.08575	22.4
121.06511	8.7
121.10120	17.8
123.04465	2.6
123.08054	4.0
123.11695	3.8
125.09647	5.0
127.03886	14.4
128.06198	2.4
129.05481	1.9
129.06998	13.8
131.04865	2.8
131.08546	18.2
133.06505	5.4
133.10109	15.0
135.08038	4.8
135.11661	10.7
137.05956	1.5
137.09634	1.9
141.07002	2.6
143.08533	4.1
145.05142	1.4
145.06497	6.2
145.10129	6.9
147.04381	1.4
147.08032	4.5
147.11673	18.4
149.09634	6.6
149.13251	15.0
153.12714	1.7
155.08583	3.6
157.06497	1.9
157.10114	12.4
159.11682	10.3
161.05975	1.7
161.09669	2.0
161.13257	1.9
163.11201	6.4
165.12723	7.3
169.10121	2.5
171.11740	2.6
173.04474	3.7
173.13281	1.6
175.11163	12.5
177.12772	5.4
181.10179	1.9
181.12280	3.3
183.11626	2.3
183.13972	1.8
187.11221	2.6
189.11293	3.3
189.12782	2.5
191.10620	1.9
193.12209	34.6
195.13696	7.7
199.14874	2.2
211.13258	46.4
213.12611	1.7
213.14792	2.0
227.12807	5.6
233.15295	1.7
235.13235	1.7
243.13928	1.8
249.14789	2.4
251.16487	2.1
267.15887	15.5
269.17447	13.5
273.14865	3.1
277.14508	1.9
285.17053	7.2
296.20343	1.5
297.17108	2.5
301.14496	2.3
303.15933	3.2
313.16446	2.0
321.17078	3.2
337.16278	3.6
339.18121	7.4
355.17694	5.1
369.24362	4.8
375.18414	2.1
387.25226	3.4
393.19501	1.7
395.20505	6.8
411.20111	4.8
413.21460	1.9
437.28470	1.8
443.28040	6.4
461.28870	28.4
479.30032	17.1
503.30234	2.0
549.29999	2.0
569.31201	3.4
580.22339	1.6
587.31714	4.4
605.24847	1.8
605.32922	11.3
622.76447	1.6
623.34198	79.1
623.42700	2.9
624.34424	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	623.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.5
55.01869	8.7
55.05511	31.0
57.03440	13.2
65.03938	5.5
67.05505	64.2
69.03430	18.5
69.07065	23.6
69.51413	14.1
71.04988	12.0
73.02929	3.0
79.05489	52.9
79.93372	1.8
81.03416	100.0
81.07051	74.4
83.04974	27.9
83.08619	22.2
85.02902	24.8
85.06535	5.1
91.05474	57.0
93.07043	51.3
95.04977	34.6
95.08595	25.2
97.02878	15.4
97.06509	13.3
97.10177	7.9
99.04470	5.3
103.05441	2.8
105.07027	39.7
107.04967	7.3
107.08584	25.9
109.02907	15.3
109.06528	7.5
109.10159	9.0
111.04447	15.3
111.08088	13.4
117.07011	13.8
119.08575	22.8
121.06526	9.3
121.10121	16.8
123.04419	3.0
123.08089	5.2
123.11726	5.1
125.09579	4.8
127.03912	10.8
129.05443	3.2
129.07014	14.3
131.08539	22.0
133.06479	4.2
133.10132	15.7
135.08107	3.0
135.11710	8.4
137.09624	4.0
143.08569	5.9
145.06488	4.7
145.10109	10.2
147.08072	4.4
147.11653	21.6
149.05910	2.5
149.09618	8.3
149.13254	11.2
151.11134	2.2
153.12805	2.6
155.08574	6.2
157.06479	2.6
157.10094	14.1
159.11722	10.0
161.09637	3.5
163.11246	4.5
165.12819	5.3
166.13289	2.5
169.10138	6.1
171.11723	5.1
173.04539	3.6
173.13336	3.5
175.11224	13.0
177.12828	4.4
183.11749	2.7
185.09663	3.2
187.14874	2.2
189.11205	4.7
193.12231	36.3
195.13899	9.6
211.13258	49.6
219.14044	3.0
227.12863	6.2
229.14336	2.2
235.13223	3.9
249.14795	3.4
267.15891	15.5
269.17441	10.8
273.14981	2.1
275.20169	4.5
285.17087	4.8
297.17191	2.4
319.15536	2.7
321.16956	3.6
339.18167	8.3
351.23349	3.5
355.17746	5.4
369.24396	3.2
377.20050	2.6
387.25323	2.2
395.20740	7.9
404.44391	2.3
411.20056	2.9
443.28070	6.9
449.10751	2.1
461.28967	18.8
479.29846	12.5
503.30640	2.6
525.35657	2.9
569.31207	2.8
587.32062	3.9
605.33142	10.4
623.34247	80.3
623.42883	5.5
624.34406	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01863	8.9
55.05509	30.3
57.03434	13.3
65.03931	4.2
67.05501	63.9
69.03422	23.6
69.06735	1.6
69.07069	18.6
70.68048	3.1
71.05003	12.5
79.05491	49.6
81.03414	100.0
81.07054	81.3
82.44872	1.5
83.04978	22.0
83.08614	27.0
84.11054	1.4
85.02901	27.5
85.06531	5.5
91.05478	50.2
93.07038	58.1
95.04964	30.6
95.08608	28.6
97.02878	17.3
97.06526	13.0
97.10181	8.5
98.98431	2.5
99.04443	6.2
99.08102	2.9
103.05457	2.6
105.07026	35.0
107.04971	10.9
107.08593	30.5
109.02884	17.5
109.06526	9.7
109.10141	7.5
111.04439	15.1
111.08070	14.7
113.06039	2.1
115.05451	3.2
117.07012	15.4
119.04880	2.8
119.08572	23.2
121.06511	7.9
121.10139	17.4
123.04424	2.6
123.08091	2.7
123.11713	5.7
125.05978	1.3
125.09664	7.1
127.03901	12.8
128.06258	2.0
129.05481	2.7
129.07002	15.9
131.04927	2.1
131.08562	22.8
133.06517	5.7
133.10112	18.5
135.08038	4.0
135.11676	8.5
137.09587	2.8
140.84665	1.6
141.07016	2.1
143.08551	6.0
145.06497	4.3
145.10112	10.6
147.08073	6.6
147.11681	21.0
149.09628	6.1
149.13257	13.8
153.12761	2.3
155.08574	3.2
155.88875	1.4
157.06538	1.5
157.10104	13.8
159.07996	3.4
159.11653	13.6
161.09605	1.9
161.13257	2.0
161.33727	1.4
163.11217	4.8
165.12764	6.9
167.08473	2.5
169.10100	3.0
171.11746	5.0
171.72351	1.4
173.04474	3.7
173.09631	3.1
173.13298	2.7
175.11153	8.6
177.12753	4.9
181.12247	3.4
183.08044	1.8
183.11725	3.7
183.13855	1.6
185.13358	2.1
187.11133	1.5
189.11221	3.0
189.12762	2.7
189.16293	1.8
191.10710	2.6
192.78114	1.3
193.10451	3.0
193.12228	41.4
195.12093	2.3
195.13802	11.4
197.13313	2.1
199.05977	2.1
199.07568	1.7
199.14865	1.6
207.13686	1.8
209.13373	2.2
211.13264	51.7
211.15236	2.6
213.12852	1.9
213.14822	3.1
221.13361	1.3
223.14865	2.0
227.12834	5.9
249.14830	2.8
261.15027	2.1
267.15872	10.5
269.17526	9.0
273.15012	2.2
275.16370	1.7
285.17276	7.3
303.15985	3.9
305.22153	1.5
321.16953	3.1
337.16290	2.2
339.18005	9.8
341.24762	1.4
355.17606	5.4
359.18640	2.5
369.24298	4.3
387.25201	2.2
393.19016	3.7
395.20706	9.4
405.26398	2.7
411.20056	3.4
433.29974	1.6
443.27829	3.4
451.32108	2.2
461.28989	16.2
479.30167	13.7
485.29291	2.2
496.21414	1.5
503.29575	1.9
525.35638	15.9
543.36530	1.9
569.31018	2.4
587.32043	3.5
605.32684	8.4
623.34143	80.0
623.42749	4.2
624.34430	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34770	1.5
51.02384	2.3
52.77071	1.8
53.03939	10.7
55.01876	13.8
55.05507	41.8
57.03438	13.6
57.07069	2.7
59.05019	1.8
65.03943	5.4
67.05502	85.1
69.03425	29.5
69.07067	27.9
69.38246	1.4
71.01346	1.7
71.04990	12.3
73.02927	3.0
79.05490	68.7
81.03417	100.0
81.07053	92.6
82.03748	2.2
83.04971	24.7
83.08613	31.0
85.02895	20.1
85.06541	6.6
91.04907	4.0
91.05478	71.0
93.07042	61.8
93.07623	2.2
95.01316	2.0
95.04966	30.7
95.08606	39.1
97.02886	19.2
97.06532	17.4
97.10190	10.0
98.21645	2.9
98.98471	9.3
99.04474	9.2
99.08105	4.0
100.18289	1.7
103.05422	2.3
105.04527	1.9
105.07024	55.1
107.04955	13.4
107.08585	41.3
109.02869	19.3
109.06522	14.3
109.10154	17.1
111.04427	17.0
111.08070	11.8
113.06032	4.1
113.29533	1.6
115.05479	3.8
117.07006	21.4
119.04931	2.5
119.08576	33.9
121.02885	2.0
121.06490	8.9
121.10143	23.4
122.10532	1.8
123.04413	4.0
123.08051	5.1
123.11709	5.7
125.09622	7.5
127.03915	9.8
128.06226	5.1
129.07013	18.6
131.04932	3.7
131.08578	28.6
133.06508	6.5
133.10126	27.8
135.08086	7.3
135.11699	12.3
137.09608	6.3
141.06975	7.5
142.07771	3.2
143.08556	12.1
145.06471	4.9
145.10132	18.7
147.08072	3.1
147.11687	20.9
149.09628	8.1
149.13271	14.9
153.09137	2.2
153.12740	2.1
155.01025	2.2
155.08559	6.8
157.06508	3.1
157.10141	18.0
159.08058	4.6
159.11703	17.3
161.09593	2.1
161.13245	4.5
163.11206	9.2
165.12758	6.6
167.08615	4.1
169.10132	4.7
171.08096	2.9
171.11696	9.3
173.04489	4.1
173.09648	5.1
173.13298	4.1
175.11176	10.8
177.12788	6.6
179.14372	4.3
181.10153	3.6
181.12206	4.4
183.08098	2.0
183.11702	7.1
185.13281	5.2
187.11147	3.3
187.14844	3.2
189.11241	2.8
189.12759	2.5
189.16341	2.0
191.10715	5.0
193.12231	30.2
195.11816	3.6
195.13834	9.3
197.09627	2.0
197.13300	2.9
199.14937	3.4
201.68462	1.9
205.12206	3.1
207.11726	2.4
209.13306	3.6
211.11285	1.7
211.13251	52.2
213.14911	3.2
223.14893	3.0
227.12759	8.4
227.14706	1.8
229.06435	2.2
229.72762	1.9
239.14317	1.9
239.18083	2.1
249.14737	2.3
257.15417	2.8
257.19073	3.1
267.15921	10.8
269.17404	9.1
273.14963	1.7
275.17096	3.3
275.20001	17.6
277.14630	2.3
283.20557	1.7
285.17053	4.8
293.21194	2.7
297.22015	3.5
299.23804	3.7
301.14215	2.0
303.16064	2.9
319.15424	2.2
321.17017	2.3
339.18127	6.8
351.23166	2.4
355.17505	7.1
387.25357	2.2
395.20648	4.3
411.20099	7.0
433.30688	3.6
443.27954	3.9
451.32129	5.2
461.29050	17.2
469.33142	4.6
479.30032	12.8
503.30383	2.0
507.35187	4.0
525.35712	31.0
545.31317	1.8
559.32343	2.0
569.30896	2.3
587.32202	2.7
605.32898	12.5
605.41156	1.8
623.34015	90.0
623.43042	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	623.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25506	1.1
53.03934	3.9
53.34531	1.0
55.01874	6.9
55.05510	24.7
57.03428	6.6
57.07079	2.8
59.04983	1.7
65.03935	2.9
67.05503	44.4
69.03423	5.4
69.06732	1.3
69.07066	14.7
71.04988	5.8
71.51202	1.5
79.05487	34.6
81.03411	16.4
81.07053	39.8
83.04967	7.2
83.08620	13.0
85.02892	3.9
85.06540	2.6
91.05481	31.1
93.07037	29.5
95.04957	12.2
95.08598	21.9
97.02892	2.7
97.06535	8.4
97.10172	9.2
98.98460	18.7
99.04449	1.3
99.08076	1.2
103.05460	1.3
105.07023	28.3
107.04960	5.5
107.08585	20.8
109.02860	3.5
109.06509	6.0
109.10145	13.5
111.04414	3.1
111.08068	5.1
115.05437	1.9
116.99499	1.1
117.07014	16.6
119.08576	17.6
121.06481	5.7
121.10138	10.4
123.08058	4.2
123.11713	2.6
125.09631	10.3
127.03936	1.5
128.06223	4.4
129.06990	15.6
130.07751	1.2
131.04863	1.2
131.08560	22.0
133.06468	3.0
133.10115	14.1
135.08023	4.2
135.11658	5.6
137.09593	2.5
137.13332	1.2
141.06982	6.7
142.07755	4.4
142.35393	1.0
143.08563	15.7
145.06459	4.6
145.10109	17.5
147.08076	5.9
147.11688	9.4
149.09596	5.5
149.13271	3.1
151.11197	1.4
153.09099	5.7
154.07768	1.5
155.01015	6.2
155.08537	12.8
157.06512	3.3
157.10129	15.6
159.08073	5.2
159.11678	11.6
161.09622	2.0
161.13237	4.1
163.11179	5.6
165.07018	2.4
165.12770	1.3
166.07843	1.3
167.08524	4.9
168.09297	1.8
169.06464	1.2
169.10117	11.8
171.08060	4.1
171.11662	14.1
173.02115	1.3
173.09618	4.1
173.11789	2.2
173.13277	6.6
175.11177	3.1
175.14775	2.8
177.12723	2.3
179.08527	3.3
181.10101	7.1
183.08064	2.2
183.11693	11.6
185.09607	4.1
185.13206	8.5
187.11209	2.3
187.14867	4.3
189.11241	3.9
189.12732	1.3
189.16400	1.3
191.10451	1.4
193.10115	4.1
193.12222	6.6
195.11679	8.1
195.13541	1.7
197.09621	2.3
197.13222	7.3
199.11182	3.0
199.14832	5.6
201.12717	2.5
201.16356	2.7
203.14207	1.4
205.10106	2.2
207.11694	3.0
209.13258	4.6
211.13255	4.3
211.14848	2.9
213.12776	3.1
213.16362	3.2
215.14389	1.3
219.11655	1.6
221.13326	1.9
223.14803	4.1
225.12717	1.3
225.16400	3.2
227.12793	3.9
229.14207	2.3
233.13326	1.6
235.14771	2.8
237.16307	2.3
239.14340	1.7
239.17949	3.6
241.15901	1.4
241.19485	2.1
251.18076	1.5
255.17471	1.5
257.18985	3.5
259.20563	2.7
263.17953	1.2
265.19485	2.0
267.15964	2.4
269.17419	1.4
270.37317	1.3
273.18698	2.2
275.20151	5.9
281.22791	1.3
283.20462	3.8
295.20602	1.4
297.18887	1.6
297.22134	3.6
299.23706	10.0
301.21478	1.4
309.18399	1.2
313.21500	2.4
315.23087	1.9
325.21692	2.3
331.22720	1.2
332.36270	1.1
339.23160	3.3
353.24686	3.3
369.24045	2.0
405.31436	2.8
411.20181	1.2
415.29724	2.1
423.32806	2.4
433.30936	10.7
443.27811	1.3
451.32123	17.8
453.23932	1.5
461.28763	4.4
469.33286	13.1
479.30014	2.4
489.33362	2.3
507.34662	8.9
508.34760	1.4
525.35742	100.0
526.36078	6.6
543.36719	3.2
554.35767	1.6
587.31311	2.7
605.32153	11.1
605.41656	3.4
623.33215	54.0
623.42761	24.1
624.32990	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
67.05497	1.5
69.07056	0.8
69.31554	0.3
71.08630	0.2
71.27687	0.6
79.05480	1.1
81.07056	1.2
83.04959	0.4
83.08592	0.4
91.05477	1.1
93.07034	1.2
95.08578	1.4
101.21756	0.3
105.07027	1.3
107.04964	0.5
107.08590	0.6
109.10136	0.5
119.08578	0.8
129.07027	0.3
131.08545	0.6
133.10133	0.6
141.06960	0.3
145.10123	0.7
146.53975	0.3
147.11694	0.3
157.10126	0.3
159.11684	0.4
171.11673	0.5
207.33339	0.3
222.11298	0.3
235.12308	0.3
248.79210	0.3
267.87183	0.3
289.17850	0.3
291.19720	0.3
313.27094	0.3
324.15399	0.4
374.16269	0.3
377.17551	0.7
388.17023	0.6
389.17801	0.8
390.18488	0.6
391.19177	1.4
392.03452	0.3
392.19943	0.4
393.20996	0.3
399.16226	0.4
400.16855	0.3
401.17905	0.5
402.18472	0.7
403.19424	1.5
404.19952	1.1
405.21219	2.0
406.21301	0.8
407.22348	1.1
413.17792	0.4
414.18625	0.4
415.19446	1.4
416.20068	0.9
417.16818	1.3
417.21677	1.6
418.17538	0.8
418.22214	0.5
419.22888	2.9
420.23059	1.0
429.21277	0.6
430.17200	1.5
431.17841	2.9
432.18549	1.3
432.24207	0.5
433.20126	6.1
434.20868	0.7
442.17770	0.5
443.18326	2.5
444.18994	2.1
445.19769	5.2
446.21024	2.9
447.21896	4.6
448.22604	1.1
449.23041	0.8
457.19843	0.4
458.20831	6.4
458.26654	0.5
459.21582	4.8
460.22784	4.7
461.19012	0.5
461.24332	0.4
462.20224	0.6
463.21490	2.1
464.21490	0.3
465.22571	0.3
471.21381	0.5
472.22641	0.5
473.23337	0.8
475.20798	1.4
476.21997	1.6
477.22882	1.9
478.23260	0.5
485.23627	0.4
487.25415	0.4
489.18829	0.5
490.24060	0.4
502.23349	0.4
503.20047	0.3
503.25284	0.6
504.25705	0.6
505.25635	1.1
511.37933	0.8
517.22589	1.1
518.23053	4.3
519.23730	0.8
520.24200	0.4
521.21790	1.0
530.22974	0.3
531.24109	0.7
532.24329	0.5
533.17230	0.4
533.25488	8.1
534.25781	0.8
535.26544	1.5
545.25641	2.6
546.26294	1.4
563.26422	5.9
573.24701	0.8
577.27991	0.7
590.25183	0.4
591.26318	0.4
605.17719	0.5
605.27539	10.1
605.42316	0.4
606.28400	0.8
623.28571	100.0
624.28857	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05511	0.7
67.05504	1.5
69.07044	0.6
69.28236	4.0
79.05487	1.2
81.03416	0.5
81.07059	1.3
83.04977	0.4
91.05480	1.7
93.07043	1.3
95.04955	0.4
95.08606	1.4
105.07014	1.2
107.08615	1.1
109.10222	0.4
117.07024	0.5
118.82167	0.5
119.08592	0.6
133.10144	0.7
135.08168	0.4
145.10156	0.5
147.11636	0.5
153.01851	0.4
155.08577	0.5
159.11641	0.4
169.10167	0.6
303.68286	0.4
353.28543	0.4
391.19150	0.5
403.19211	0.4
413.17380	0.7
415.19031	0.9
416.19992	0.7
417.21170	0.6
418.17166	0.5
428.20209	0.8
429.20779	3.7
430.21954	0.9
431.18253	0.6
432.19440	0.6
433.24252	0.9
443.22705	1.9
444.23145	1.6
445.24350	0.5
448.22107	0.6
449.23297	0.6
457.19659	0.7
457.24777	0.7
458.24802	1.4
459.21625	2.0
460.22791	0.9
461.18634	0.6
461.23660	1.2
462.20715	0.9
463.20895	0.5
471.22021	0.6
472.22736	1.4
473.23474	1.2
474.20081	0.6
475.20813	0.5
476.21844	0.8
477.22729	1.7
485.23422	3.0
486.24335	0.5
487.24811	1.6
489.22577	0.6
503.24487	1.4
510.97934	0.4
513.22552	0.5
517.26105	1.7
519.24316	0.5
521.22107	0.6
531.23987	2.4
531.38403	0.6
535.25684	0.6
545.25470	30.9
546.25714	2.4
563.26093	9.5
569.88660	0.5
591.25476	0.7
605.27435	3.3
623.28534	100.0
623.42737	2.9
624.28906	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66199	0.3
52.67202	0.3
55.01859	0.3
67.05495	0.7
69.07064	0.4
71.28745	0.6
73.05813	0.3
79.05481	0.7
81.07058	0.7
86.72624	0.3
91.05464	1.4
93.07059	0.7
95.04964	0.3
95.08575	0.5
97.06504	0.4
98.98694	0.3
105.07023	0.8
107.08607	0.5
109.10191	0.4
119.08610	0.8
121.10104	0.4
131.08620	0.5
133.10182	0.3
135.11710	0.3
145.10138	0.3
152.30441	0.3
196.69588	0.3
209.10745	0.4
209.46707	0.3
245.90451	0.4
257.19019	0.4
275.20224	1.2
375.15936	0.4
376.16589	0.5
377.17783	0.5
389.18069	0.5
390.18710	0.6
391.19397	1.1
401.18179	0.4
403.15195	0.6
403.19971	0.3
404.16260	0.5
405.20966	2.4
415.19208	0.9
416.20132	0.5
418.17435	0.4
419.18506	1.2
420.23532	0.5
421.24207	0.4
429.20941	1.6
430.21570	0.5
431.22839	0.5
433.19882	2.4
443.22360	1.1
444.23431	0.6
445.24762	0.5
446.17065	0.4
447.17896	5.2
448.23047	1.8
449.23434	1.6
457.19827	0.5
458.24771	0.4
459.21228	1.4
460.22577	0.8
461.19452	5.3
462.20691	0.6
463.21371	0.8
471.21967	0.5
472.22934	0.7
473.23599	0.9
475.21271	0.8
476.22028	8.6
477.22552	1.6
479.20584	0.6
485.23422	1.3
487.25064	0.8
489.19858	0.4
503.24603	0.9
517.26196	0.8
519.24316	1.0
521.21637	0.4
531.23962	1.3
545.25494	6.2
546.25586	0.4
563.26337	3.3
591.27734	0.4
605.27417	1.5
623.28589	100.0
624.28857	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69189	0.3
65.44515	0.3
71.87074	0.3
75.81940	0.3
92.68391	0.3
97.10840	0.3
124.29390	0.3
149.68613	0.3
165.61824	0.3
209.10696	0.5
211.12250	0.4
224.13051	0.4
226.08926	0.3
237.13982	0.4
239.15567	0.4
291.67950	0.3
298.12921	0.4
361.14188	0.4
374.16745	0.3
375.16916	0.5
376.17346	0.7
377.17474	1.4
378.18613	0.9
388.17581	0.4
389.18411	0.6
390.18289	1.4
391.19186	2.9
392.19943	2.9
393.20782	1.7
399.16217	0.6
400.16959	1.0
401.17633	1.0
402.18814	0.4
403.19687	1.1
404.20560	1.3
405.16769	0.4
405.20914	4.4
406.21408	4.2
407.22266	9.8
408.22992	0.5
413.17899	1.0
414.18207	1.1
415.19296	2.8
416.20206	0.7
417.20779	0.9
418.21790	0.8
419.17719	0.5
419.23065	1.8
420.23370	2.0
421.23895	9.7
422.24783	2.5
427.19348	1.1
428.20004	1.6
429.20859	5.7
430.21500	1.5
431.18216	0.7
431.23059	0.6
432.19595	0.9
433.19785	1.6
433.24319	1.4
441.20911	0.6
442.21478	1.1
443.22598	3.2
444.23624	1.9
445.20453	2.0
446.21036	0.9
447.17197	1.9
449.22556	0.7
452.22125	0.4
455.18600	0.4
456.19391	0.6
457.24792	1.8
458.25500	1.5
459.22293	2.6
460.23154	2.3
461.18979	4.3
462.20477	1.7
463.21170	1.0
471.22528	0.6
472.22964	2.4
473.19189	0.9
473.24139	0.7
474.20587	1.4
475.21109	6.0
476.21597	4.3
477.22675	3.1
478.23737	0.9
484.18939	0.5
485.23618	5.9
486.20428	1.6
486.24698	1.0
487.20447	1.5
488.22043	1.3
489.22943	3.6
493.25729	0.9
499.21295	6.3
500.21890	1.2
502.23917	0.4
503.24429	8.3
504.24908	0.9
505.22409	1.1
507.24225	1.4
508.28427	0.5
513.23218	1.9
514.23657	1.2
515.24329	1.3
517.23218	1.7
517.25775	2.1
518.23334	0.4
519.23779	0.6
521.25250	1.2
529.26141	0.5
531.24048	0.8
535.27112	5.9
536.26941	0.9
545.25439	25.8
546.25610	1.9
547.27228	0.4
559.22968	0.5
562.25598	0.6
563.26343	0.8
564.26984	1.8
573.25012	7.0
574.25391	0.5
577.28027	1.3
591.26117	2.2
605.27521	16.3
606.27985	1.1
623.28571	100.0
624.28809	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64415	0.5
59.20182	0.4
69.46299	0.5
69.69696	3.1
81.39680	0.5
82.33882	0.4
158.80936	0.5
211.12000	0.7
233.00000	0.5
249.36974	0.4
252.39705	0.6
260.07333	0.5
376.16733	0.5
377.17587	0.8
386.14923	0.5
388.17697	0.7
391.19141	2.4
392.19724	1.9
393.20499	1.1
399.15698	0.8
400.16653	0.6
401.17456	1.6
403.19611	0.7
404.20328	1.5
405.20572	2.1
406.21396	3.2
407.22263	11.4
412.17563	0.6
413.17731	1.6
414.18134	2.1
415.19199	3.7
416.19699	1.3
417.20871	0.9
418.21732	0.7
419.22626	1.1
420.23068	2.2
421.23810	12.0
422.24557	3.7
427.19070	1.3
428.19962	2.6
429.16034	0.6
429.20792	8.2
430.21536	2.6
431.18127	0.7
431.22919	0.6
433.23822	2.2
434.24689	0.7
442.22165	1.0
443.22479	6.7
444.23285	5.1
445.19833	1.2
446.20859	0.8
447.17450	1.1
449.22943	1.7
456.19308	1.5
457.24597	4.0
458.24866	8.7
459.21579	9.6
460.22156	2.3
461.18701	3.1
462.20270	2.1
463.21268	1.5
470.21066	2.0
471.22443	1.0
472.22537	10.1
473.23941	3.2
475.20950	6.6
476.21552	7.3
477.22568	5.0
478.23685	0.8
484.19077	1.1
485.23425	20.7
486.20410	3.2
486.24060	4.0
487.20297	0.9
487.25806	0.9
488.21945	1.9
489.22955	3.2
491.24564	0.6
493.25876	1.7
498.20544	0.8
499.21548	6.8
500.21991	3.4
501.22580	1.0
502.23816	0.9
503.24463	11.0
504.21387	0.7
504.25638	1.0
505.21948	0.6
507.23386	0.8
508.28323	1.3
513.22815	5.2
514.23669	3.1
515.24603	1.2
517.26111	12.6
521.25543	1.1
529.25970	2.5
530.23315	1.0
531.23364	1.1
535.26996	7.4
535.90942	0.6
536.27234	1.0
541.22052	0.6
545.25421	100.0
546.25732	4.8
549.25311	0.8
558.22583	0.9
563.26337	1.1
564.27252	2.0
573.24908	24.0
574.25024	0.9
591.26086	1.4
605.27551	77.6
606.27893	4.9
623.28558	75.9
624.28827	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	623.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03938	1.5
55.01870	4.5
55.05510	7.6
57.03429	1.1
57.07060	0.8
65.03925	0.9
67.05499	13.4
69.03412	0.6
69.07065	8.6
70.48573	1.0
70.48967	1.0
71.04972	0.7
79.05486	12.5
81.03432	1.1
81.07046	13.3
83.04964	2.4
83.08605	3.1
85.06505	0.9
91.05473	13.7
93.07027	11.5
95.04971	3.8
95.08597	10.0
97.06512	5.2
97.10169	1.5
103.05460	0.6
105.04529	0.7
105.07025	13.1
105.07700	1.0
107.04922	2.7
107.08585	8.0
109.06509	2.1
109.10146	5.9
111.08077	0.8
113.09640	1.0
115.05494	1.0
117.07010	6.0
118.06529	0.5
119.08573	9.4
121.06501	1.5
121.10117	3.9
123.04480	0.5
123.08075	1.7
123.11724	0.5
125.09640	1.3
128.06190	1.4
129.07004	3.8
130.07791	0.7
131.08557	6.9
133.06564	0.6
133.10095	7.7
135.08055	1.1
135.11703	2.5
137.09644	0.9
137.13264	0.6
141.06996	1.9
142.07782	1.0
143.08569	4.0
145.06520	0.7
145.09035	0.9
145.10101	6.9
147.07988	0.8
147.11694	4.0
149.09613	3.0
149.13261	1.3
151.11232	0.5
154.07738	0.6
155.08551	3.2
157.10089	3.6
159.08038	0.7
159.11673	5.0
161.09683	0.5
161.13300	1.7
163.11160	2.9
163.14986	0.6
167.08571	2.4
169.10085	3.4
171.08026	0.8
171.11674	3.9
173.11896	0.8
173.13271	2.5
175.14772	1.2
177.12759	0.9
179.08562	1.4
179.14305	1.5
181.10158	1.5
183.11690	3.2
185.09528	0.8
185.13260	1.8
187.11240	0.8
187.14900	0.7
189.12848	0.6
193.10226	0.9
195.11734	2.2
197.09630	0.6
197.13245	2.1
199.14810	1.2
201.12752	0.7
205.10190	0.5
207.11661	1.7
209.13335	1.3
211.14890	1.1
213.16418	0.8
215.17758	0.7
221.13255	0.8
223.14825	1.3
229.19557	0.8
235.14912	1.4
237.16331	0.6
239.17946	1.7
241.19568	1.0
247.20445	0.8
251.18008	0.6
257.18964	3.9
271.11487	0.5
273.18594	1.1
275.20084	12.5
281.19186	0.6
293.21100	1.3
313.21738	0.7
331.22696	1.1
337.21481	0.6
349.23969	1.8
363.16504	0.8
376.16708	0.8
377.17789	0.9
378.18826	1.0
387.16257	0.9
389.18570	0.7
390.18964	0.6
391.19171	3.2
392.20065	1.6
393.20724	1.9
399.16226	0.7
400.17178	0.6
401.17621	3.3
403.19189	0.8
405.16422	0.7
405.20865	1.9
407.22134	3.8
413.17624	1.0
414.18561	1.8
415.19434	2.8
416.20255	0.9
417.20975	1.2
418.18375	0.8
419.18423	1.5
419.23135	0.8
421.20200	1.6
428.20172	1.1
429.21429	1.2
430.21585	1.4
431.18768	1.6
431.88474	0.7
433.16092	1.3
435.21802	1.2
438.19009	0.7
443.18039	0.8
443.22821	1.5
444.19730	1.6
445.20374	2.1
447.17691	4.5
448.18683	1.0
458.21036	2.0
459.18384	1.9
460.18854	0.9
461.19598	3.7
462.20499	2.1
463.21332	2.1
465.23227	0.7
471.22336	4.4
472.18765	1.6
473.18945	3.3
474.20557	3.0
475.17377	1.8
475.22076	2.0
476.18265	1.5
485.19727	1.6
486.20502	2.2
489.17688	0.8
489.22852	4.3
490.19299	5.0
491.20584	4.5
493.22009	0.8
499.21365	10.9
500.18619	1.1
501.23569	3.6
502.20105	0.7
503.20752	4.6
507.24039	1.9
513.19397	3.8
514.19800	1.1
516.21729	0.7
517.22418	13.3
519.20850	0.7
521.21777	0.9
525.35767	1.0
527.20892	1.6
529.22192	6.6
531.20020	3.2
531.38275	2.5
535.23358	3.6
536.23889	0.9
545.21771	23.7
546.22174	1.0
549.39178	1.4
555.20288	1.1
563.22827	2.2
564.23438	1.6
573.21387	7.2
577.24475	3.4
591.22150	4.3
595.25482	1.5
605.23877	42.7
605.40442	4.7
606.24048	1.2
623.24957	100.0
623.42035	21.6
624.25336	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	622.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10635	2.0
64.96465	1.9
66.24414	2.0
70.46822	2.6
70.47162	6.9
71.53811	1.8
71.69243	1.9
72.30666	1.6
75.37561	1.8
100.19652	2.2
129.75664	2.0
135.21207	2.2
395.60263	2.0
446.91989	2.2
461.19092	2.6
475.21313	8.6
476.22302	4.8
481.60226	2.1
503.20920	2.3
535.22980	11.9
536.23462	2.5
562.25403	16.3
563.26337	10.7
590.24896	7.5
593.13800	2.3
593.24597	3.7
594.28058	6.9
622.27747	100.0
623.28394	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	621.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54626	1.1
53.03938	1.9
55.01874	8.0
55.05515	10.8
56.69679	1.2
57.03439	19.5
57.07076	21.6
61.51584	1.4
65.03937	2.9
67.05508	43.8
69.07069	10.2
71.04997	2.4
71.08627	16.7
71.51421	1.4
76.24133	1.2
79.05494	21.0
81.03423	2.9
81.07055	29.5
81.07533	1.5
83.04999	2.1
83.08617	5.9
85.06539	10.8
85.10191	6.5
91.05485	20.9
91.97363	1.3
93.07047	18.6
95.04970	40.0
95.08604	18.9
97.06513	1.7
97.10200	3.1
103.05486	1.7
105.07040	16.9
107.04959	10.2
107.08593	12.5
109.06516	55.8
109.10161	7.0
111.08123	2.0
113.06002	27.6
117.07038	8.6
119.08583	9.5
121.06504	4.1
121.10154	4.2
123.08102	3.2
123.11727	2.4
128.06253	2.0
129.06984	6.7
131.08563	12.6
133.06494	2.4
133.10146	5.7
135.08058	38.2
135.11714	4.9
137.06050	1.4
143.08601	5.4
145.10123	7.7
147.08092	4.0
147.11717	2.8
149.09644	5.3
149.13277	2.3
155.08582	1.7
157.10158	3.9
159.08084	1.7
159.11702	6.0
161.09573	6.8
161.13380	1.5
163.11197	2.5
165.09189	1.3
168.69630	1.5
169.10197	1.3
171.11728	3.5
175.11179	2.8
177.12799	3.2
185.13356	1.5
189.12827	1.5
195.13736	1.5
199.14810	2.5
201.12810	1.9
217.15912	10.6
227.17973	1.5
237.16457	1.6
255.17531	2.5
273.18488	28.9
273.21265	1.9
291.19553	75.2
313.27359	35.5
313.30756	2.5
347.22110	6.8
365.23148	6.4
367.06857	1.4
388.17117	1.8
389.17929	5.1
390.18842	1.6
402.18777	2.0
403.19440	6.5
404.19849	2.6
405.20691	3.4
416.15692	1.7
417.16458	7.1
419.22726	7.2
420.23367	1.6
431.18265	9.7
432.19626	4.7
433.20386	3.9
443.19043	1.7
444.19922	1.6
445.19998	7.1
446.21063	11.0
447.21704	11.1
459.22293	1.7
460.18594	1.7
474.20654	5.4
475.21371	10.5
487.21387	2.5
501.22769	2.0
508.69714	1.6
523.39832	3.8
533.25427	13.6
534.26062	1.9
561.25012	26.3
562.25470	4.4
585.45325	4.5
593.27728	3.7
603.46136	30.9
621.27106	100.0
622.27429	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	621.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01863	10.9
55.05510	30.2
55.86684	2.4
57.03416	11.3
57.07077	43.3
65.03935	4.4
67.05505	50.6
69.07075	23.3
71.04974	3.1
71.08629	25.0
79.05493	33.6
81.03409	10.7
81.07055	100.0
83.04977	18.6
83.08624	22.0
85.02893	3.8
85.10162	14.5
90.25319	3.1
91.05463	24.5
93.07040	25.9
94.04182	2.9
95.04967	17.8
95.08605	37.2
97.06528	8.2
97.10171	22.8
98.55047	2.5
99.04448	4.1
99.08047	2.9
105.07045	15.9
107.04942	9.6
107.08578	18.9
109.06498	7.6
109.10156	19.3
111.04438	25.0
111.08072	10.6
117.06996	10.6
119.08577	21.8
121.06500	8.6
121.10136	13.4
123.08065	33.0
125.09650	17.6
125.10431	2.6
129.06956	7.7
131.08582	15.0
133.06442	4.5
133.10115	8.0
134.03795	2.6
135.08063	5.8
135.11676	11.7
135.46028	2.7
137.09564	6.2
143.08553	5.1
145.10109	13.3
147.08025	8.6
147.11646	8.4
149.09647	5.2
153.09090	4.4
153.12744	12.5
157.10112	6.9
159.11665	6.0
163.11177	21.3
165.09109	6.5
171.11667	4.0
173.09607	4.4
177.12773	3.2
181.12184	16.8
189.11217	30.9
191.10681	12.6
193.12315	4.6
223.13307	10.2
225.40324	2.7
227.12808	25.9
227.17865	4.4
239.23604	5.6
255.17366	6.3
273.18539	29.6
281.82339	2.9
283.15439	4.9
285.33530	2.9
291.16208	3.9
291.19528	78.0
309.20557	5.3
313.27365	51.8
337.11807	3.0
347.22049	6.1
365.23239	27.7
366.23691	2.9
603.46307	20.6
621.48199	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	621.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
55.01868	12.8
55.05505	26.7
57.03439	10.9
58.66650	1.6
61.02924	2.8
65.03931	3.3
67.05494	41.6
69.03417	21.0
69.07059	15.6
69.37357	11.8
71.01355	1.9
71.04985	9.6
71.83903	1.5
73.02922	2.1
79.05486	40.3
81.03413	100.0
81.07047	51.3
83.04967	19.2
83.08617	21.7
85.02896	24.3
85.06550	4.4
86.82402	1.5
91.05470	47.8
93.07038	38.4
95.01327	3.4
95.04961	57.8
95.08601	26.8
95.23890	1.6
96.08884	1.6
97.02892	18.2
97.06493	10.1
97.10180	14.8
98.20761	2.3
99.04463	5.3
99.08056	1.8
101.06032	2.7
103.05455	4.2
105.03361	1.8
105.07030	39.8
107.04945	17.1
107.08582	20.6
109.02861	19.5
109.06537	11.1
109.10137	17.8
111.04434	13.7
111.08087	7.9
111.11730	1.9
111.43352	1.8
113.05933	1.7
115.05444	4.8
117.07020	12.9
119.04938	7.8
119.08568	25.9
121.02871	2.0
121.06503	16.5
121.10143	18.5
123.04411	16.0
123.08061	8.7
123.11682	8.6
125.05995	3.1
125.09606	9.3
127.03912	11.3
128.06216	4.8
129.06976	15.4
130.07761	3.3
131.04895	10.8
131.08559	19.2
133.06482	11.8
133.10107	19.2
135.04395	4.3
135.08009	8.8
135.11684	8.8
137.05981	6.1
137.09596	5.1
137.13271	2.2
139.11134	2.7
141.07033	4.0
142.07782	3.8
143.08495	9.1
145.06450	12.8
145.10115	13.7
147.04419	12.2
147.08037	10.9
147.11693	17.3
149.05965	6.9
149.09618	11.7
149.13297	3.5
151.07574	2.8
151.11151	2.6
153.01784	2.0
153.09061	2.8
153.12724	2.2
155.08537	5.3
157.06456	3.3
157.10106	13.2
159.08093	4.8
159.11691	6.4
161.06012	8.6
161.09642	7.9
161.13234	2.9
163.03920	2.7
163.07530	2.8
163.11176	13.5
165.09131	3.0
165.12747	7.2
167.08557	2.7
169.10085	6.2
171.08083	4.9
171.10158	2.1
171.11696	4.7
173.04436	5.6
173.05986	7.6
173.09637	6.8
173.13306	3.4
175.03940	3.9
175.07613	3.6
175.11162	10.6
177.05481	2.2
177.12764	3.7
179.10687	2.0
181.06392	1.9
181.10085	2.2
181.12300	3.5
183.08026	2.8
183.11728	2.5
185.09590	3.5
185.13232	2.5
187.07538	3.0
187.11214	5.9
189.05492	6.9
189.11230	4.1
189.12779	5.0
191.07123	2.3
191.08643	1.8
191.10670	6.5
191.14313	3.1
193.12230	27.2
195.08124	1.8
197.06099	2.1
197.09703	2.0
197.13315	1.7
199.11192	3.5
201.09068	2.0
201.12709	2.1
203.10568	2.4
205.12253	6.1
207.06447	3.7
207.13925	5.3
211.11342	3.5
211.13252	29.6
211.15041	3.3
213.12752	2.5
214.95204	1.6
217.12207	4.1
219.13881	1.8
223.11214	2.3
223.13266	5.0
227.06891	1.7
227.12799	5.8
231.13759	2.8
231.37732	1.7
233.15593	1.8
235.13232	10.2
247.13225	3.4
249.14871	4.2
253.14262	2.6
255.13834	4.7
257.15314	2.7
259.13354	6.0
261.14856	2.7
267.15836	11.2
273.14804	17.4
283.13147	3.9
285.17047	10.7
289.14352	3.2
291.15900	4.3
301.14233	23.7
301.17062	1.9
303.16006	1.7
309.17035	1.9
319.15344	15.3
323.16275	2.7
323.25870	2.0
337.16736	4.7
349.21606	2.2
355.17682	2.6
357.17044	2.1
367.22705	6.2
375.18076	7.5
385.23947	8.7
393.19205	7.3
403.24893	2.8
409.23593	2.8
447.25500	2.2
459.27518	14.8
475.24677	2.8
477.28262	3.8
483.27448	2.6
493.25818	4.0
501.28107	4.6
511.26782	1.9
529.27197	3.9
543.29346	4.5
555.29498	2.1
567.29205	8.4
573.30353	4.2
585.30652	23.0
603.31561	21.0
621.32520	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03946	7.4
55.01869	6.4
55.05508	20.8
56.02794	0.6
57.03430	8.1
57.07060	0.8
59.04983	1.3
59.84155	0.7
65.03945	3.3
65.83061	0.6
67.05500	29.7
69.03419	12.6
69.07062	8.2
71.01346	1.4
71.04986	6.4
73.02889	1.0
77.03925	0.8
79.05490	32.0
81.03413	100.0
81.07051	32.1
81.07536	1.2
82.03731	0.6
82.04925	0.5
83.01346	0.6
83.04974	15.3
83.08613	19.7
85.02901	18.7
85.06522	2.7
85.74615	0.6
91.05474	38.4
91.36268	0.5
93.07039	20.7
95.04964	36.0
95.08597	12.0
97.02283	1.2
97.02881	11.6
97.06515	4.3
97.10164	7.5
99.04449	4.9
99.08089	1.8
103.03947	1.0
103.05465	2.7
105.06309	1.3
105.07021	26.7
107.04950	13.3
107.05640	1.0
107.08589	12.5
107.10603	0.6
109.02870	21.6
109.06521	5.9
109.10157	5.6
111.04436	9.8
111.08076	9.1
113.06010	1.7
115.05456	3.8
116.10738	0.6
117.07022	8.0
119.04939	3.2
119.08575	20.3
121.02882	1.5
121.06498	7.9
121.10139	11.2
123.04436	6.2
123.08041	4.3
123.11694	2.7
125.02347	3.1
125.05972	1.4
125.09653	5.2
127.03910	7.4
128.06200	2.6
129.05507	0.9
129.06990	13.8
129.07921	0.8
131.04903	3.9
131.08559	14.4
133.06485	6.0
133.10121	9.5
134.10477	0.7
135.04402	1.1
135.08035	3.2
135.11696	4.7
137.02248	0.9
137.05963	2.2
137.09627	2.4
137.13297	0.7
141.06978	2.4
142.07756	3.3
143.08537	2.9
143.10677	0.7
145.04913	0.8
145.06505	4.7
145.10121	7.0
147.04393	3.2
147.08032	4.6
147.11667	14.2
149.06003	2.8
149.09616	6.2
149.13300	1.2
151.07513	0.7
151.11139	0.9
153.06941	1.1
153.09128	1.7
153.12732	1.9
154.07669	0.6
155.06067	0.7
155.08586	2.7
157.04759	0.7
157.06490	1.7
157.10114	13.4
157.11330	1.0
159.08061	3.1
159.11671	2.1
161.05969	2.8
161.09622	2.8
161.13280	0.7
163.07587	1.2
163.11180	5.9
165.09070	0.8
165.12740	4.8
169.06413	0.6
169.10124	2.3
171.04480	0.9
171.08060	2.5
171.11705	2.2
173.04456	4.4
173.06013	1.7
173.09636	2.6
175.04036	0.6
175.07607	1.9
175.11180	12.4
175.12581	1.1
177.12814	1.3
181.06511	1.0
181.10109	1.2
181.12225	2.6
183.11725	1.3
185.05945	0.8
185.09575	1.3
185.13300	0.8
187.07585	1.7
187.11142	1.1
187.49043	0.7
189.05484	1.8
189.11232	2.3
189.12769	2.0
191.07065	0.9
191.10632	3.5
193.12236	38.6
194.12520	0.8
195.11670	0.9
197.09708	1.2
199.11183	1.8
201.09044	0.8
201.12798	0.9
203.06889	0.6
203.14120	0.6
205.12257	1.6
207.06450	0.7
207.13751	0.7
209.11649	0.7
209.15271	1.0
211.13266	41.7
213.12747	1.2
215.10692	1.0
215.14359	0.9
217.12206	1.2
219.11679	0.7
223.13341	1.1
227.12637	5.0
227.14595	0.7
229.12238	0.9
229.14259	0.9
231.13841	1.8
233.15527	1.0
235.13319	3.2
239.14240	0.7
241.12245	1.2
245.15450	1.6
247.13368	1.0
249.14711	3.1
255.13826	2.6
257.15298	1.0
259.13342	2.7
265.14340	1.0
267.15894	11.0
271.13342	1.4
273.14850	9.6
277.14352	2.2
281.45953	0.6
283.13016	1.0
285.17032	7.2
289.14297	1.4
291.15942	1.8
301.14197	11.5
303.15869	2.0
309.16901	0.8
319.15448	8.1
329.17599	0.8
337.16669	3.5
351.17825	0.6
355.17676	4.2
367.22742	2.4
375.17957	5.8
385.23712	3.6
393.18954	5.0
394.64709	0.8
403.24698	2.1
411.20038	2.8
421.25146	0.8
459.27496	5.3
477.28418	5.0
495.29480	4.6
511.27133	0.9
524.19751	0.8
529.27869	1.2
543.29291	1.0
567.29187	1.7
573.30426	2.6
585.30444	8.5
603.31537	8.6
621.32599	54.2
622.33154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.8
55.01882	6.5
55.05505	23.1
57.03439	11.9
65.03947	3.0
67.05499	31.7
69.03413	17.0
69.07066	8.0
71.04996	6.2
71.50957	2.3
79.05488	34.9
81.03413	100.0
81.07057	33.3
83.04973	16.6
83.08612	18.5
85.02908	17.4
85.06535	3.5
91.05478	40.9
91.06031	2.7
93.07036	25.1
93.68580	1.2
95.04960	34.0
95.08592	12.1
97.02885	14.6
97.06517	5.9
97.10155	8.0
99.04451	5.9
99.08073	1.4
105.04526	1.9
105.07029	24.5
107.04949	14.3
107.08586	14.4
109.02874	21.2
109.06513	7.7
109.10142	7.5
111.04430	12.1
111.08071	11.2
112.56515	1.4
113.05999	2.7
113.30100	1.2
115.05474	3.5
117.07033	7.8
117.32703	1.3
119.04959	7.4
119.08573	21.4
121.02915	1.5
121.06496	7.2
121.10143	9.5
123.04436	5.8
123.08065	3.0
123.11681	3.0
125.02370	3.1
125.09660	6.4
127.03925	8.4
128.06232	2.1
129.06984	14.3
131.04916	3.0
131.08548	15.8
133.06517	6.0
133.10120	13.4
135.04410	2.2
135.08064	3.5
135.11694	4.6
137.05942	2.9
137.09618	2.7
141.07031	1.9
142.07793	2.1
143.08577	4.2
143.10652	2.5
145.06522	5.4
145.10077	6.9
147.04398	8.0
147.08061	5.3
147.11691	15.1
149.06003	5.4
149.09596	7.7
149.13245	1.5
151.07576	2.4
153.12724	1.4
155.08557	3.4
157.06493	1.9
157.10144	12.1
159.08067	2.4
159.11697	1.7
161.06015	3.4
161.09659	1.8
163.11194	8.6
164.70706	1.4
165.09100	1.7
165.12793	2.9
171.08073	1.6
171.11694	3.4
173.04585	2.8
173.05951	2.5
173.09642	3.0
175.03891	8.0
175.07597	2.0
175.11176	10.9
181.12221	3.6
185.09702	1.8
187.07523	2.1
187.11235	1.6
189.05548	3.3
189.09201	1.7
189.11137	2.0
189.12737	1.5
191.10686	4.6
193.12238	41.1
205.12277	3.1
207.06525	18.0
211.13283	45.3
213.12903	2.1
215.10965	1.5
217.12271	1.2
227.12633	6.9
229.12260	1.6
231.13905	1.7
235.13365	4.3
247.13281	1.7
249.14955	3.2
255.13945	2.7
259.13388	3.6
265.14594	1.6
267.15927	11.6
271.13208	1.3
273.14804	9.3
277.14502	1.7
283.13156	2.3
285.17145	6.3
286.31339	1.5
289.14386	2.2
291.15952	2.1
301.14230	11.5
303.15924	2.6
319.15411	7.9
337.16544	5.8
355.17545	5.2
367.22739	2.1
375.17984	4.3
385.23965	3.9
393.19147	5.1
411.20367	2.8
452.43936	1.3
459.27383	6.3
477.28561	7.4
483.27728	1.6
495.29660	4.3
567.28699	1.7
573.30908	2.3
585.30640	8.5
603.31708	12.1
621.32678	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.04853	0.3
55.01846	0.5
55.05507	0.7
67.05495	1.8
69.07066	0.5
69.58224	1.9
79.05472	1.0
81.03408	0.7
81.07056	1.7
83.08582	0.3
91.05482	1.7
93.07035	0.9
95.04951	0.9
95.08607	0.8
97.06528	0.4
98.20834	0.7
105.07027	1.1
107.04942	0.4
107.08572	0.8
109.10138	0.5
115.05422	0.4
117.06998	0.7
119.08572	0.7
131.08556	1.0
133.10072	0.7
143.08553	0.4
143.77997	0.3
144.07953	0.3
145.10162	0.7
157.10100	0.4
167.08539	0.3
169.10007	0.3
171.11682	0.8
172.42981	0.3
275.19971	0.4
291.19611	0.4
370.15390	0.4
372.14960	0.4
374.15549	0.6
375.16119	1.3
376.17307	0.3
386.15762	0.4
387.16083	0.8
388.16843	1.1
389.17606	3.1
390.18414	1.2
391.19217	0.6
392.16122	0.3
395.47531	0.3
401.17627	0.9
402.14166	0.7
402.18631	1.2
403.15234	0.6
403.19522	4.2
404.20032	2.0
405.20770	3.1
415.14917	0.7
415.19833	0.6
416.16229	1.3
417.16080	4.4
417.21085	2.5
418.17694	1.1
418.21878	1.0
419.22369	6.8
420.22836	0.8
429.16541	0.6
429.21487	0.4
430.17923	1.2
431.18088	6.7
431.23618	0.6
432.19128	2.5
433.20062	2.7
443.18875	0.6
445.20215	6.4
446.20950	7.1
447.21741	10.3
448.22885	0.4
457.20325	0.4
458.21088	0.7
459.21817	2.7
460.18832	1.0
461.19656	1.9
463.21606	0.5
473.19153	1.1
473.23914	1.2
474.20364	6.8
475.21243	8.3
478.23309	0.4
487.21292	3.1
488.22263	0.9
490.24042	0.5
491.19730	1.6
501.23004	1.8
502.23486	0.3
505.26025	1.0
506.23297	0.5
517.22516	0.4
518.23041	1.0
519.19775	0.6
529.22797	0.5
533.25439	16.3
546.22028	0.4
561.24921	21.7
562.25134	0.6
565.28253	0.4
589.24396	1.1
593.27606	4.0
621.26978	100.0
622.27020	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38786	0.4
69.05780	0.4
78.40431	0.4
82.96033	0.4
106.06496	0.5
106.99240	0.4
126.22390	0.4
163.57228	0.5
192.99286	0.4
195.08888	0.5
208.09941	0.5
221.10658	0.5
247.20377	0.4
273.12433	0.4
291.19727	0.4
310.13330	0.5
328.14731	0.6
345.51956	0.4
361.15292	0.5
373.14050	0.8
374.15433	1.1
375.16129	1.5
387.16171	1.7
388.16940	1.3
389.17578	4.6
390.18512	2.1
391.18985	0.9
401.17871	2.1
402.18863	3.2
403.19470	7.7
404.15530	0.4
404.20148	4.4
405.20734	2.2
415.14801	0.7
415.19400	1.1
416.15250	2.0
416.20505	1.1
417.16049	5.1
417.20978	3.5
418.21558	1.7
419.17084	0.6
419.22403	10.7
429.16580	1.1
429.21561	0.8
430.17868	1.6
431.18134	9.9
431.23563	0.7
432.18802	2.9
433.20221	1.9
443.18488	0.8
444.19229	0.6
445.20157	10.2
446.20917	6.0
447.21783	13.1
448.22055	0.8
457.20496	1.2
458.20859	0.8
459.17783	2.5
459.22379	1.7
460.18094	0.5
460.23096	0.7
461.19916	1.2
473.18686	0.7
473.23615	1.5
474.20355	11.8
475.21310	16.8
476.21735	0.8
487.21292	5.2
488.21817	1.5
491.20557	0.6
501.22845	3.2
502.23764	0.7
504.21051	0.5
505.25888	1.3
518.22778	0.6
529.22345	1.2
533.25531	11.3
534.25903	0.7
546.22729	1.1
561.24963	85.8
562.25275	2.3
589.24561	2.6
593.27570	3.9
621.27057	100.0
622.27167	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.97419	0.6
67.05505	1.0
69.07073	0.8
71.22383	1.4
71.34512	0.6
81.07047	1.4
95.08618	1.1
101.07961	0.8
131.08667	0.8
184.97780	0.8
210.72160	0.6
387.16434	0.7
388.16946	1.8
389.17648	3.3
390.18701	1.8
401.17746	1.1
402.18533	1.8
403.19373	4.9
404.20190	3.1
405.20880	1.6
415.19620	1.0
416.20154	2.1
417.16510	1.4
417.20889	2.8
418.21646	0.8
419.22318	4.7
429.21106	1.3
430.17392	1.0
431.17926	3.9
431.23477	1.2
432.19131	1.4
445.21030	4.4
446.21094	2.1
447.21893	4.8
459.17212	3.5
460.18610	0.9
461.19632	1.7
473.19937	1.8
474.20389	6.0
475.21329	8.6
487.21353	2.9
501.23074	2.1
505.26291	1.2
523.39795	1.0
533.25623	5.1
561.24908	23.6
562.25366	0.7
589.24286	1.1
593.27765	0.9
621.27039	100.0
622.27454	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.07339	0.5
52.97516	0.5
65.65434	0.7
66.16162	0.6
71.23225	1.0
108.38713	0.5
112.75485	0.6
119.79934	0.6
167.15491	0.6
276.05353	0.5
314.52878	0.7
330.94827	0.6
373.14709	0.8
387.16254	1.0
388.16974	1.3
389.17715	2.7
391.19180	0.8
401.17966	0.8
402.18726	1.1
403.14789	0.8
403.19357	4.5
404.20056	1.9
405.20871	2.3
415.19516	0.9
416.15787	0.8
416.20544	0.7
417.16141	4.2
417.21436	1.7
418.21832	1.1
419.22501	8.2
420.22897	1.1
429.16873	0.8
430.17624	0.9
431.18164	7.0
432.19534	2.6
433.20273	2.8
445.20139	6.8
446.20966	9.6
447.21783	14.8
448.22592	0.9
459.22574	4.1
460.18515	1.0
461.19531	1.4
473.18811	1.1
473.23764	1.8
474.20380	10.6
475.21164	12.5
477.23026	0.7
487.21469	5.2
488.21954	1.4
491.20871	1.8
501.22745	3.3
505.26581	2.9
518.23029	1.5
519.20697	1.2
529.22375	0.9
533.25519	24.5
534.26178	1.1
546.22845	1.0
556.24695	0.7
561.24945	32.4
562.25873	1.1
593.27637	4.7
621.27020	100.0
622.27338	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	621.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01861	0.7
55.05507	5.7
57.03428	0.5
61.02928	0.2
63.18893	0.1
65.03934	1.8
67.01854	0.5
67.05495	1.1
68.99793	0.5
69.03422	4.6
70.97377	0.3
70.97722	0.2
73.02913	0.3
74.66653	0.2
75.44355	0.2
79.01833	0.2
81.03405	1.4
83.04973	23.6
85.02901	2.9
90.97626	0.1
93.03393	3.1
95.04940	0.5
97.02886	2.0
99.04446	0.5
103.03899	0.2
109.02872	1.2
111.00803	1.0
111.04436	10.6
117.07032	0.2
121.02847	3.8
123.04435	0.3
127.03912	2.2
136.35129	0.2
137.02332	3.2
139.03891	11.4
145.04941	1.0
149.02310	0.5
153.01807	4.6
154.02151	0.6
155.02306	0.6
156.02548	0.2
157.04950	7.3
161.06039	0.3
163.03882	0.7
165.01823	2.1
166.02623	0.5
173.06007	0.4
183.02847	1.0
183.04489	0.4
187.03897	0.3
191.03462	0.2
201.05464	1.8
205.04947	0.2
217.04868	0.2
218.62584	0.2
219.06454	0.3
229.04953	4.3
229.06900	0.3
241.06990	0.2
247.06064	0.5
255.08400	0.3
257.04422	2.9
274.04764	0.9
275.05368	0.2
283.08099	2.0
285.04001	1.3
288.24716	0.2
301.09186	1.4
303.04956	100.0
304.05304	2.1
305.05594	0.5
306.05850	0.3
307.05743	0.2
319.10199	3.0
345.06061	0.4
369.05936	0.3
411.06958	0.2
503.20520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
54.75435	1.9
55.01871	4.2
55.05502	7.1
57.03421	2.8
65.03936	2.5
67.05510	12.9
69.03423	11.3
69.07069	10.5
71.04982	9.3
71.52270	3.0
73.02893	2.4
73.90990	2.2
79.05496	18.6
81.03417	16.7
81.07056	29.8
83.04965	18.0
83.08616	3.4
85.02903	14.5
85.06535	3.7
86.81012	1.6
91.05476	15.1
93.07040	36.5
95.04960	14.0
95.08603	18.7
97.02872	6.2
97.06522	26.1
99.04460	15.1
101.05980	2.2
103.71539	1.9
105.07021	31.0
107.04967	5.7
107.08584	29.1
108.04506	3.0
109.01669	2.0
109.02869	26.3
109.06503	22.9
109.10184	5.4
111.04436	8.1
111.08071	16.5
113.06005	3.5
115.07588	2.2
117.06981	3.9
119.04969	2.6
119.08585	19.3
121.06499	47.2
121.10131	9.3
123.04436	7.0
123.08075	7.0
123.11708	6.5
125.05990	12.1
127.03910	26.4
127.07519	10.0
128.06160	2.0
129.07019	4.9
130.09245	1.8
131.08560	6.1
133.06430	2.6
133.10103	17.1
135.04427	6.4
135.08032	12.4
135.11603	2.0
137.05977	7.9
137.09613	2.4
139.03899	17.8
139.07545	11.9
141.05446	2.1
142.07785	3.7
143.07022	11.3
143.08524	11.3
145.02808	2.1
145.04948	14.4
145.06482	2.8
145.10109	8.2
147.04451	3.0
147.08026	5.7
147.11678	48.3
149.09615	3.9
149.13277	4.6
151.11214	3.9
153.01852	4.9
155.08609	2.1
156.09352	1.9
157.08603	7.6
157.10120	13.1
161.05937	2.2
161.13278	8.4
163.03929	3.8
163.07475	2.1
163.11148	2.9
165.09102	2.6
165.12738	24.2
169.12253	8.7
171.06535	15.0
171.07837	2.7
171.11665	15.5
173.09616	4.5
173.13246	1.9
175.11189	33.2
177.02567	2.1
177.05464	3.8
181.04959	2.2
181.10045	4.0
183.06474	2.0
187.06018	6.9
189.12717	13.4
191.03436	3.6
191.10667	1.8
191.14296	2.3
193.12236	28.9
199.11229	17.6
205.07089	4.7
207.06569	2.9
207.13722	9.9
209.15527	2.2
211.13297	19.9
217.12216	56.1
225.14784	2.3
229.14348	10.3
230.17506	2.8
235.13275	79.6
237.07671	2.7
253.14340	100.0
257.13937	2.3
257.51132	2.0
261.07581	8.6
271.15442	13.1
279.08575	9.4
289.16281	2.6
295.15244	4.7
313.16385	3.7
325.14319	3.6
337.16455	2.5
343.15335	4.0
355.17419	3.0
361.16647	8.8
379.17450	13.3
397.18491	18.0
409.09204	2.4
415.19547	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	619.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12058	1.0
52.18059	1.0
53.03938	2.5
55.05285	1.0
55.05510	9.1
56.15912	1.2
57.03430	1.6
57.07064	3.5
65.03917	2.3
67.05501	13.5
69.03429	2.5
69.07069	12.6
70.55672	2.8
71.04980	1.2
71.08647	1.3
79.05489	12.4
81.03420	8.1
81.07059	29.0
83.04971	2.1
83.08617	8.5
91.05479	25.7
93.07045	24.1
95.04953	4.4
95.08603	35.8
97.06488	1.6
97.10159	1.5
101.39587	1.3
105.07027	19.3
107.04958	10.7
107.08589	26.5
109.06516	2.3
109.10163	14.5
111.08044	1.3
117.07028	4.1
119.04942	24.0
119.08584	18.7
121.10143	20.7
123.04420	2.8
123.11729	8.2
125.05918	1.4
127.03918	1.2
129.07002	3.8
131.08571	9.1
133.10133	15.5
135.11703	17.5
137.13284	9.9
143.08496	3.0
145.10138	8.2
147.04410	100.0
147.11688	13.7
148.04712	1.3
149.09607	1.5
149.13257	19.4
151.14825	2.2
157.10114	3.7
159.11700	7.3
161.13243	7.1
163.14812	4.9
165.05479	29.4
165.12810	1.8
169.10210	2.2
171.11760	6.1
173.13208	5.4
174.39011	1.2
175.14818	8.2
177.16394	16.8
183.11713	1.9
185.13222	3.7
187.14789	9.6
189.16374	11.6
191.17932	4.5
193.15866	1.8
195.13852	2.0
197.13292	1.5
199.14799	4.8
201.16406	11.7
203.17950	22.6
204.18266	1.1
205.15941	1.7
207.13857	2.9
207.17488	1.4
213.16365	8.7
215.17979	7.6
217.19510	2.7
219.17445	1.3
227.17924	1.2
233.15416	2.0
239.18033	2.6
241.19606	5.7
253.19527	2.2
255.21068	2.3
259.16940	5.4
267.21088	1.6
287.20020	2.6
313.21536	1.4
349.29031	1.4
355.26285	2.0
389.06516	1.2
391.33334	5.5
404.18588	1.3
407.33044	4.1
409.34821	6.1
411.32538	3.6
422.20117	1.2
435.32632	1.8
437.34131	20.7
455.35306	2.8
475.30737	2.1
619.37469	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70945	1.2
55.05499	5.6
57.07066	2.2
57.15228	1.3
65.03908	1.5
65.05835	1.4
67.05505	6.9
69.07060	8.0
71.12019	2.6
79.05482	5.2
81.07050	13.0
83.08607	6.7
91.05475	16.1
92.63710	1.1
93.07044	10.7
95.08606	28.0
98.98449	2.9
105.07027	14.9
107.04958	11.1
107.08598	21.5
109.10153	12.6
117.06993	2.3
119.04940	21.6
119.08574	27.8
121.10143	20.6
123.04430	3.5
123.11720	8.7
129.07016	2.5
131.08563	6.9
133.10112	17.6
135.11694	11.0
137.13280	2.7
143.08591	6.8
145.10141	12.2
147.04404	100.0
147.11674	14.3
149.13289	7.4
153.09122	1.4
155.08534	1.9
157.10155	3.5
158.56502	1.2
159.11713	12.2
161.13242	9.2
163.14825	4.1
165.05475	28.9
165.16405	1.2
169.10132	2.3
171.11685	3.4
173.13254	5.4
175.14810	15.6
177.09093	2.1
177.16394	11.4
181.10115	1.9
183.11644	1.7
185.13385	2.8
187.14813	6.3
189.16376	16.9
191.17931	4.6
193.15672	1.7
197.13191	2.0
199.14880	2.9
201.16389	15.1
203.04541	1.2
203.17963	28.3
205.15872	4.5
207.17444	3.2
213.16325	6.1
215.17961	13.0
217.19559	1.7
219.17384	2.2
225.16455	1.3
227.18044	1.7
228.21916	1.2
229.19472	3.0
235.16882	3.8
241.19632	2.4
243.21164	2.3
247.16916	6.1
249.18600	1.9
253.19568	1.8
255.20938	1.7
261.18503	10.0
345.84836	1.4
365.32013	1.9
391.33566	6.4
407.32910	2.9
409.34732	7.7
411.32617	8.0
435.32343	2.2
437.34155	26.9
447.32944	2.3
465.33707	1.5
521.36011	3.5
617.42834	1.3
619.34186	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	619.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32851	1.1
55.05507	5.5
57.07059	2.5
65.03935	2.9
67.05504	8.3
69.07058	8.9
71.26121	1.0
71.51797	2.1
73.32938	1.0
78.01830	1.0
79.05493	6.0
81.03384	2.0
81.07052	18.2
83.08618	6.7
91.05466	16.6
93.07047	13.9
95.04952	2.6
95.08604	24.9
96.16060	1.1
97.06523	1.6
97.10120	1.4
98.98460	2.4
102.79738	1.2
105.07031	18.5
107.04952	8.9
107.08599	23.8
109.06460	1.5
109.10155	15.1
115.05470	1.2
117.07021	2.8
119.04935	25.7
119.08578	33.0
121.10148	17.1
123.04409	2.6
123.11682	7.8
129.07002	2.4
131.08554	8.9
133.10124	18.0
135.11674	13.9
137.13229	3.0
143.08554	4.0
145.10115	11.6
147.04402	100.0
147.11682	16.8
148.04672	1.2
149.13229	10.3
155.08533	2.5
157.10204	2.2
159.11711	10.1
161.13255	8.8
163.14803	7.3
165.05473	30.9
165.06775	1.4
165.16388	1.3
167.10692	1.1
169.10081	2.1
171.11678	2.8
173.13251	7.6
175.14807	13.0
177.16373	12.0
183.11658	3.0
185.13182	1.4
187.14859	7.7
189.16364	23.0
191.17949	4.9
195.11646	1.6
197.13353	1.6
199.14853	2.8
201.16376	20.1
201.18079	2.0
203.17943	30.7
205.15900	2.2
205.19543	1.4
207.17447	4.5
209.03384	1.1
213.16353	8.5
215.17906	18.3
215.67339	1.1
217.19514	3.1
219.17429	1.6
221.13228	1.2
227.17935	1.7
229.19533	4.0
233.15541	1.2
235.16927	3.0
237.16377	1.1
239.17970	1.8
241.19412	3.4
243.21065	1.6
247.16924	3.9
249.18452	1.2
253.19463	2.5
255.21173	2.3
259.16992	2.1
261.18420	5.8
267.20990	1.5
269.22531	2.0
287.77240	1.3
323.17984	1.1
391.33496	7.7
407.32999	2.4
409.34650	11.2
411.32281	5.1
435.32260	2.0
437.34152	26.5
465.34006	1.2
492.25964	1.3
521.36127	3.1
586.47302	1.1
619.37524	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	619.3991
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
51.22995	0.8
51.86705	0.8
54.09584	0.6
55.05510	7.0
57.07070	2.3
63.67357	0.7
64.18368	0.7
65.03938	1.9
67.05508	7.3
69.03416	0.7
69.07066	8.5
70.46011	0.7
71.08603	1.0
79.05485	7.4
81.06596	1.3
81.07056	19.6
83.04946	1.3
83.08624	6.2
84.42897	0.6
85.06531	0.7
91.05471	13.2
93.07043	15.8
95.04965	2.1
95.08604	30.5
97.10139	1.1
99.94430	0.7
105.07032	12.1
107.08591	23.0
109.06567	0.8
109.10152	13.6
117.06959	1.7
119.04938	26.2
119.08573	15.8
121.10141	19.5
123.04437	1.2
123.11713	8.0
128.07372	0.7
129.06946	1.6
131.08586	5.4
133.10132	12.1
135.11688	14.5
137.13258	9.6
139.11153	0.8
143.08531	3.4
144.09291	0.8
145.10123	6.9
147.04405	100.0
147.11691	9.7
148.04774	0.9
149.13243	16.4
151.14822	1.7
154.82227	1.0
157.10126	2.7
159.11714	5.5
161.13248	6.8
163.14793	4.0
165.05472	28.1
169.10208	1.2
171.11667	5.2
173.13239	5.3
175.14833	6.6
177.16391	13.7
183.11726	2.0
185.13269	2.9
187.14812	5.3
189.16386	13.6
191.17953	5.4
195.11734	0.7
197.13330	1.3
199.14760	4.0
201.16364	8.8
203.17934	25.4
203.19778	1.5
205.15883	1.6
207.17427	1.9
213.16377	6.9
215.17990	4.9
217.19476	1.9
225.16460	1.2
229.19490	1.2
231.17578	1.1
233.15298	1.1
235.17125	0.9
239.17938	2.1
241.19478	5.5
243.21155	1.7
245.15338	1.2
247.16864	1.2
249.18529	1.4
253.19392	1.0
255.21074	2.2
259.16971	5.7
261.18585	0.8
267.21078	2.1
287.20102	1.6
313.21616	1.5
327.23291	1.0
332.57529	0.8
355.26526	0.9
382.48459	0.8
391.33563	6.6
409.34784	8.0
411.32315	3.8
437.34119	20.0
455.35022	0.9
619.33887	1.0
619.43176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3991
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
54.04089	1.0
55.05503	4.1
55.06641	1.0
55.19397	0.9
57.07067	1.9
65.71022	0.9
66.20844	0.9
67.05493	4.3
69.07078	6.9
69.49101	8.2
79.05479	3.2
81.07056	10.1
83.08627	5.9
91.05482	11.9
93.07051	10.1
95.08613	24.2
101.55560	0.9
105.07034	11.1
107.08598	16.5
109.10155	11.1
115.05735	0.9
115.14831	1.1
119.04134	1.6
119.04946	24.4
119.05792	1.6
119.08572	19.9
121.10146	15.7
123.11716	9.7
129.06953	1.1
131.08585	3.3
133.10143	18.1
135.11707	11.6
137.04926	1.1
137.13242	2.2
143.08571	2.3
144.09256	1.1
145.10121	9.2
147.04414	100.0
147.11690	11.3
149.13286	6.2
159.11711	7.7
161.13272	6.3
163.14809	4.0
165.05476	29.0
171.11714	1.3
173.13330	4.8
175.14822	10.0
177.09108	1.7
177.16389	14.5
183.11694	1.2
187.14822	3.7
187.52049	0.9
189.16385	17.4
191.17958	5.4
197.13217	1.1
199.14938	1.7
201.16365	14.4
203.17946	27.7
205.15857	3.0
205.19565	1.6
207.17415	2.8
213.16368	4.2
215.17958	17.4
217.15981	1.1
217.19441	1.6
219.17389	1.5
229.19571	2.1
235.16876	2.3
239.18005	1.3
241.19344	2.4
243.21075	2.3
247.14917	0.9
247.16953	7.3
249.18474	2.3
253.19373	1.2
255.21181	1.4
261.18512	11.8
267.21167	1.7
269.22693	1.6
287.20035	1.1
289.21390	1.2
295.24341	1.5
301.21619	1.2
315.23038	2.0
391.33603	6.6
394.28406	1.1
409.34656	7.7
411.32660	8.5
437.34155	30.4
455.34863	1.2
629.27289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13377	0.8
50.15559	0.8
52.78561	0.8
52.94672	0.9
55.05507	3.9
57.07061	1.8
65.03936	1.3
67.05506	5.0
67.09538	0.9
68.74088	0.8
69.07063	6.6
69.30244	1.6
69.30580	9.2
75.98618	0.9
79.05494	2.7
81.07050	11.5
83.08600	7.4
87.04498	1.2
91.05479	14.4
93.07051	8.5
95.08608	22.7
104.35867	0.8
105.07029	13.4
107.08590	17.8
109.10145	10.4
117.07026	1.1
119.04122	2.0
119.04940	28.3
119.08582	23.6
121.10143	17.2
123.11690	6.1
127.77940	0.9
129.06964	1.3
131.08582	5.2
133.10117	15.4
135.11694	10.5
137.13301	2.2
143.08479	2.3
145.10141	7.6
147.04402	100.0
147.11688	10.6
149.13290	5.2
151.14851	1.0
153.09042	1.2
157.10136	1.9
159.11641	9.3
161.13240	7.6
163.14842	6.5
165.05473	29.2
171.11678	2.5
173.13243	4.2
175.14836	11.8
177.16367	10.0
185.13284	1.4
187.14778	4.6
189.16380	22.2
191.17900	4.4
199.14865	1.9
201.16368	18.7
203.17947	27.9
205.15829	2.6
207.17424	4.0
213.16431	6.0
213.61903	1.0
215.17967	14.6
217.19585	1.8
227.18007	1.2
229.19473	2.4
234.16702	1.1
235.16951	2.7
241.19566	2.0
243.21149	2.6
247.16850	3.4
249.18510	1.8
255.21080	1.9
259.16934	2.3
261.18506	3.8
269.22647	1.3
279.20786	1.0
287.20071	1.4
299.20084	1.1
301.21729	1.3
315.23306	1.0
332.25525	1.2
358.13617	1.0
391.33719	7.4
393.35147	1.4
409.34586	10.7
411.32382	6.8
437.34149	25.9
620.68378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99334	4.9
55.05505	13.7
57.07081	5.0
61.76776	4.8
67.05494	24.6
69.07062	15.0
70.11498	22.1
79.05479	19.3
81.03415	11.7
81.07048	33.3
83.08604	16.0
91.05482	38.4
93.07037	22.9
95.04941	7.3
95.08620	49.3
97.10139	8.0
101.91502	5.7
104.65474	5.1
105.07034	26.9
107.08592	33.2
109.10149	17.3
118.35600	5.6
119.04967	26.2
119.08617	27.4
120.89001	5.0
121.10133	30.6
123.11693	9.9
131.08553	10.4
133.10147	13.1
135.11688	19.5
137.13264	7.0
143.08490	9.3
145.10095	13.2
147.04404	100.0
147.11703	17.0
149.13277	16.4
157.10081	12.9
159.11696	8.1
163.14836	7.9
165.05479	24.1
165.06802	5.2
171.11626	7.1
173.13199	7.2
174.15691	5.2
175.14783	9.6
177.16400	13.3
187.14731	8.0
189.16403	14.8
191.17996	7.8
201.16388	8.1
203.17923	22.2
293.14490	6.0
303.15732	6.2
313.84128	5.4
409.34653	6.8
411.32669	8.2
437.34033	27.5
531.29303	39.8
584.52875	6.4
619.38934	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	619.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.9
57.52692	2.1
61.02919	2.2
69.03428	6.0
72.37270	2.0
81.03422	5.5
85.02908	12.3
88.50287	2.0
91.05477	2.6
97.02889	4.9
113.70943	2.1
116.98636	3.4
118.06540	8.3
127.03928	4.2
130.06514	4.9
132.08092	5.1
142.06580	2.5
143.07323	2.2
144.08043	13.8
145.07635	2.6
146.06003	42.5
153.01811	16.5
156.08105	5.6
159.09192	5.2
160.07590	4.8
168.08118	3.3
170.06035	4.0
184.07565	4.8
188.07062	100.0
202.08591	3.9
205.09711	52.4
219.01755	3.2
230.08121	27.1
231.03000	2.1
231.08334	2.1
237.02592	2.7
247.10771	11.9
259.02249	2.7
277.03476	3.9
303.01361	2.4
331.12949	2.5
332.11218	5.3
332.36328	2.2
349.13940	5.1
350.12405	13.8
367.14899	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05507	5.6
57.03436	1.5
57.07069	2.9
62.53237	1.2
67.05502	10.8
69.03436	2.0
69.07066	7.5
71.52065	1.8
77.37705	1.3
79.05485	8.0
81.03424	2.9
81.07055	13.7
83.08612	7.1
91.05480	20.0
93.07044	14.5
95.04961	3.3
95.08598	18.4
97.06564	1.5
97.10168	1.8
105.07030	15.5
106.44606	1.2
107.04967	2.5
107.08587	21.2
109.06509	1.7
109.10132	10.0
109.10811	1.6
112.19205	1.1
117.07056	3.8
119.04935	21.8
119.08575	23.3
121.06506	1.8
121.10141	16.2
123.08041	1.4
123.11718	5.6
131.08553	8.0
133.10115	11.1
133.44534	1.2
135.08118	1.8
135.11674	6.1
141.07004	1.8
142.07762	1.4
143.08539	4.5
144.09340	1.5
145.10112	17.0
147.04399	100.0
147.11662	9.8
149.09650	1.9
149.13268	8.8
153.01848	3.4
153.12595	1.3
155.08578	3.3
157.10106	6.7
159.11671	9.0
161.09679	2.0
161.13295	5.2
163.11171	1.5
163.14748	6.2
165.05476	28.4
169.10176	3.5
171.11725	6.4
173.13246	6.7
175.14824	9.9
177.16425	4.8
181.04916	1.8
181.10139	1.5
183.11717	3.7
185.13275	3.2
187.14822	11.0
189.12654	1.5
189.16374	17.5
190.51543	1.5
191.17998	3.7
197.13245	1.8
199.14830	4.2
201.16408	19.6
203.14462	1.9
203.17949	3.0
205.15907	3.9
209.13268	2.2
213.16389	3.9
215.17969	4.2
219.17456	6.5
221.15352	3.0
225.16519	2.7
227.17957	4.9
233.15521	1.3
237.16290	1.5
239.18050	2.3
241.19672	7.4
247.16936	4.4
253.19556	3.0
255.20979	1.6
267.21143	3.1
285.18607	2.0
287.20203	1.4
293.22375	1.7
295.24371	1.5
299.19849	2.2
303.04959	2.0
347.27310	1.7
389.32138	11.5
392.27100	1.9
407.33060	16.3
409.30920	4.2
435.32602	36.4
436.32996	2.3
453.33450	4.7
499.56442	1.5
558.16669	3.1
565.30261	1.4
617.17365	4.4
617.36127	7.9
620.56403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3832
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
55.05513	5.5
57.07071	2.8
61.98466	1.0
62.99371	1.1
65.03933	1.9
67.05503	8.9
69.07070	7.7
69.16541	14.1
71.08595	1.2
79.05496	5.4
81.07043	12.1
83.04977	2.0
83.08607	5.1
87.04492	1.4
91.05471	15.3
93.07037	12.0
95.04959	1.8
95.08602	18.1
97.10146	1.4
98.21497	1.8
105.07030	15.0
107.08582	19.0
109.06505	1.7
109.10149	7.0
117.06992	3.6
119.04932	25.7
119.07804	2.0
119.08575	20.2
121.06537	1.6
121.10136	13.0
123.11702	4.6
125.09564	1.4
129.06995	1.9
131.08568	6.8
133.10117	13.4
135.08081	2.2
135.11665	6.4
143.08566	5.6
144.09319	1.4
145.09044	1.9
145.10114	17.9
147.04401	100.0
147.11707	6.0
149.13257	6.9
153.09119	1.2
153.12779	1.1
155.08553	1.6
156.09317	1.6
157.10155	5.6
158.10936	2.1
159.11670	10.2
161.09557	1.4
161.13199	6.2
163.14833	5.7
165.05482	26.1
169.10129	2.3
171.11644	5.7
173.13278	6.2
175.14842	9.3
177.16354	5.2
183.11656	2.0
185.13216	4.9
185.38884	1.1
185.82242	1.3
187.14807	10.7
189.16357	12.4
191.17906	3.4
195.11732	1.3
197.13255	2.4
199.14836	4.1
201.16364	19.9
201.18059	1.8
203.17874	2.3
205.15875	5.1
209.13206	1.5
211.14868	2.9
213.16385	4.0
215.17989	6.1
217.16052	1.5
219.17502	4.6
225.16379	2.7
227.17892	2.8
229.19582	1.9
233.18987	1.4
239.17912	1.9
241.19511	4.5
247.16943	5.5
251.18050	1.3
253.19557	3.0
255.20975	2.3
267.21008	2.3
293.22592	2.2
299.20053	2.7
313.21674	1.6
333.25647	1.5
363.30270	1.4
389.32004	13.4
392.27377	1.3
407.33051	15.8
409.30869	3.4
435.32581	32.2
453.33569	3.9
597.57019	1.5
617.39288	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	617.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.1
53.03944	13.2
54.58659	2.0
55.01867	13.9
55.05264	3.4
55.05509	32.9
55.88750	1.9
57.03434	11.4
61.02922	1.8
65.03939	8.7
65.36600	1.9
67.05500	66.3
69.03427	16.5
69.07062	22.4
71.04976	10.6
71.51805	3.0
73.02902	2.4
79.05489	91.8
81.03414	87.2
81.07051	72.7
81.07536	3.5
83.04968	23.0
83.08620	18.1
85.02895	17.9
85.06526	5.4
91.05476	100.0
93.07039	68.4
93.07638	2.3
95.04382	3.3
95.04962	48.7
95.08598	29.1
97.02876	10.7
97.06516	11.2
97.10171	10.4
99.04456	4.2
99.08051	2.3
103.05440	5.9
105.04514	2.5
105.06314	3.4
105.07024	63.5
107.04951	23.8
107.08586	25.3
109.02881	17.1
109.06506	10.0
109.10138	7.3
110.78138	1.9
111.04437	9.7
111.08070	9.1
115.05420	7.6
116.06254	2.6
116.89305	1.8
117.07013	24.7
119.04938	6.6
119.08578	36.0
121.02857	16.9
121.06499	10.9
121.10117	13.5
123.04409	9.7
123.08038	7.4
123.11728	4.9
125.02352	10.8
125.09632	6.5
127.03911	13.9
128.06216	12.6
129.06990	37.6
130.06499	3.8
131.04951	9.8
131.08549	30.2
132.05682	2.3
133.06487	11.4
133.10141	20.0
135.04419	3.1
135.08060	6.2
135.11673	4.2
137.05962	4.2
137.09621	3.4
141.06992	8.8
142.07735	4.0
143.08556	22.5
145.02751	1.8
145.06468	13.0
145.10120	21.0
147.04387	6.4
147.08075	10.5
147.11665	33.6
149.02353	5.2
149.05978	5.7
149.09615	7.4
149.13298	2.8
152.06221	3.1
153.01839	6.0
153.07024	4.3
154.07799	3.5
155.08556	12.4
157.06519	12.2
157.10110	19.3
159.08034	7.6
159.11700	8.2
161.05988	6.6
161.09618	6.8
161.13203	6.3
163.03894	4.0
163.11215	5.2
165.05455	2.7
165.06960	3.8
165.09138	5.7
165.12737	2.5
166.07753	3.3
167.08562	10.0
169.06395	2.3
169.10130	7.7
171.07986	11.3
171.11671	20.1
173.04475	3.8
173.05992	4.5
173.09622	6.0
173.13191	2.4
175.07535	3.9
175.11159	10.2
177.05269	2.9
177.12663	2.4
179.08539	4.0
180.09315	2.2
181.10110	8.3
183.08105	4.7
183.11694	5.5
185.06038	2.4
185.09651	6.7
185.13211	4.5
187.07585	3.6
187.11150	6.7
189.05602	2.7
189.09058	3.5
189.11166	4.5
189.12782	7.3
193.10466	3.1
193.12236	15.9
195.08058	15.2
195.11691	3.5
197.05933	2.9
197.09599	4.4
197.13255	2.7
199.07590	5.0
199.11160	2.7
201.12793	3.4
203.14067	2.3
205.12192	3.1
207.11838	4.0
207.13806	16.4
209.13284	3.3
211.11484	3.6
211.13264	16.0
213.05452	2.2
213.09096	5.6
213.12715	3.2
215.14201	2.6
223.07504	7.5
223.14865	3.8
225.12755	3.8
225.14825	2.4
227.07034	2.9
227.12772	2.1
241.08514	4.5
247.13313	2.6
251.14296	4.7
255.13956	3.9
259.16754	4.6
267.15936	15.5
269.15353	12.5
273.05911	2.0
273.14645	4.2
281.17502	22.3
283.81018	2.3
285.14630	2.6
287.16306	10.7
297.14789	3.0
301.14258	7.5
307.05878	9.8
315.06448	6.0
315.15936	8.2
319.06256	2.3
319.15460	4.6
331.06180	2.4
333.17032	7.7
337.16260	2.3
343.05927	3.1
343.18878	2.3
357.03931	2.5
359.05545	3.2
371.05444	17.1
375.17865	4.0
377.24939	2.7
383.08755	2.6
385.03195	21.2
385.07236	2.9
386.03882	2.9
389.19400	3.6
393.19095	3.3
407.20483	3.1
473.29077	13.3
479.28006	3.7
491.30206	12.2
502.06772	3.0
503.07846	2.9
505.05557	23.2
506.05954	4.6
535.11963	2.5
535.30536	4.0
553.12390	8.9
553.31635	9.7
557.31177	2.8
563.10956	3.9
571.13538	3.6
571.32471	8.6
581.12189	23.0
581.30817	7.6
582.12543	4.0
599.13098	16.9
599.20972	2.0
599.22583	2.4
599.31866	17.4
617.14764	2.4
617.33087	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01867	3.5
55.05502	4.0
57.03424	4.1
61.02919	1.9
65.03944	2.3
67.05495	8.7
69.03429	13.2
69.07060	3.8
71.04988	2.9
71.52962	1.6
79.05491	7.6
81.03423	8.9
81.07063	12.9
83.04979	3.4
83.08620	4.0
85.02901	24.6
85.06508	2.3
87.04473	1.6
87.41999	1.4
91.05469	10.0
93.07024	11.8
94.06565	2.6
94.84043	1.3
95.04964	5.6
95.08583	8.7
97.02890	5.9
97.06532	2.5
97.10155	2.7
99.04447	2.6
105.07024	6.6
106.06573	2.3
107.04969	2.4
107.08585	8.9
108.08121	1.7
109.02872	3.6
109.06510	3.1
109.10143	9.5
115.05447	3.1
117.05755	1.9
117.06969	3.2
118.06538	32.1
119.04919	2.5
119.08543	8.3
121.02863	5.2
121.06546	2.7
121.10129	6.5
123.08068	2.6
123.11700	4.2
124.03959	1.6
127.03929	5.1
127.97443	1.5
129.07007	4.7
130.06517	92.7
131.08556	5.0
132.08040	1.9
133.06532	1.6
133.10133	5.9
135.11696	3.1
137.09560	2.2
139.03880	2.1
139.11160	2.1
139.92545	1.8
142.06525	4.0
143.07295	8.3
143.08521	3.2
144.08089	31.7
145.04967	2.4
145.06439	1.9
145.10138	3.1
146.04834	3.4
146.06003	62.4
147.04424	5.1
147.07961	2.4
147.11685	3.4
149.02330	1.9
149.09615	3.0
153.01855	8.6
154.06534	3.9
155.08441	2.3
156.08069	10.7
157.10092	3.5
158.09653	5.6
159.08080	1.7
159.11661	2.3
160.07596	4.2
161.09583	2.3
163.11174	2.4
165.09090	6.1
168.08104	6.4
169.07489	2.3
170.06035	7.2
170.09682	3.9
172.07529	10.9
173.13307	2.1
175.03899	9.3
175.14824	2.0
177.05457	1.9
180.91150	1.6
181.07608	3.5
182.08380	1.8
183.06709	1.7
184.07516	3.5
186.09131	2.0
188.07065	42.8
188.08794	2.1
189.12714	2.2
191.10648	1.7
196.07542	2.2
200.07063	2.1
207.09258	2.0
207.13829	1.8
212.07059	1.8
213.05450	3.9
214.08679	2.5
219.09247	2.3
220.07677	1.7
221.10751	2.5
223.07521	2.0
227.07024	4.3
230.08101	9.3
232.09654	1.7
235.12199	2.2
242.08315	1.8
250.08711	1.9
251.07118	2.0
252.06517	5.2
253.07321	3.3
254.08087	1.7
262.08694	2.0
263.09378	1.8
264.06613	2.1
266.08160	2.4
268.09637	15.7
269.08105	1.6
271.12292	1.8
280.09695	6.2
281.12982	2.9
282.11249	5.5
292.11926	3.9
294.11118	2.9
303.05237	3.0
306.11322	2.0
310.10760	1.9
326.10211	2.6
335.10974	1.6
381.12332	2.7
391.10440	3.3
392.11426	3.1
393.12067	7.5
394.13184	2.2
395.14020	4.8
405.11911	2.1
409.15503	8.5
411.16931	2.7
421.15366	5.3
423.16772	2.6
426.11862	2.4
435.17029	3.0
437.11078	2.7
452.13632	2.3
455.15988	100.0
456.16644	2.4
467.15948	39.3
469.17288	2.1
479.16052	13.3
497.16998	26.1
521.16901	2.4
533.17023	4.9
537.19965	1.7
545.16956	4.4
555.21094	2.6
563.17755	6.6
573.21960	4.3
581.10962	2.3
581.19952	9.8
599.20227	6.1
617.18604	9.0
617.33398	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	617.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
51.59025	0.4
53.03938	0.9
60.41842	0.4
61.02907	0.5
63.98028	0.4
69.03434	2.5
69.65550	0.5
69.74615	2.4
79.01842	3.2
81.03419	8.5
85.02888	1.7
96.36930	0.5
97.02889	4.9
107.01319	2.0
109.02885	4.6
111.00740	0.6
116.28546	0.5
125.02355	3.2
127.03911	4.5
137.02328	2.1
143.03387	6.1
145.04968	0.6
153.01823	100.0
153.02827	3.5
154.02179	1.0
165.01868	1.3
167.04198	0.5
171.02899	8.7
193.01685	0.5
201.05450	0.9
229.05055	1.8
237.18834	0.5
251.34549	0.5
257.04453	1.5
285.03906	0.7
297.06021	9.7
303.04974	58.7
304.05380	0.7
305.88663	0.5
315.07053	2.7
345.05713	0.6
353.67859	0.7
447.09286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1132
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.75474	0.3
51.02388	0.5
57.01999	0.3
68.99783	0.9
69.03427	0.6
70.85704	0.8
79.01846	3.7
81.03417	1.3
85.02886	1.8
93.03432	0.4
93.07076	0.3
97.02891	1.8
99.04445	0.4
107.01310	1.3
109.02856	1.6
111.00789	0.5
121.02867	0.7
123.04429	0.4
125.02345	3.1
127.03915	1.8
137.02328	2.1
143.03391	6.2
144.73778	0.4
145.04964	0.6
149.02420	0.4
153.01825	100.0
154.02185	1.4
163.03856	0.5
165.01865	1.7
171.02873	2.3
183.02859	0.8
187.04031	0.3
195.02994	0.6
201.05476	1.4
229.04951	3.2
247.05927	0.3
257.04333	1.8
274.04657	0.7
285.03903	1.3
297.06088	1.4
303.04971	68.6
304.05283	1.9
315.07074	5.3
345.05795	0.5
360.04977	0.3
395.68265	0.3
398.90515	0.3
411.07068	0.5
497.89426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60916	0.3
53.96740	0.3
55.01878	0.4
57.03431	0.5
66.39750	0.3
69.03404	0.5
70.05962	0.7
70.09000	0.3
70.88844	0.3
71.56696	0.3
72.22060	0.3
77.41738	0.3
79.01842	2.9
81.03417	0.8
85.02898	2.0
90.04893	0.3
97.02892	0.8
103.05435	0.4
105.06989	0.4
107.01299	1.1
109.02873	1.5
115.05453	2.3
123.04412	0.4
124.07592	0.4
125.02327	2.4
127.03925	1.4
131.04938	1.2
133.06435	0.3
135.04449	0.4
139.03891	0.3
143.03384	4.1
143.04898	1.8
145.02846	0.3
147.04373	0.9
153.01816	48.6
153.02861	2.0
154.02145	0.6
155.04889	0.8
159.04419	1.5
161.05934	0.7
163.03880	0.7
171.02905	1.1
171.04338	5.5
175.03868	0.5
177.01877	0.6
177.05490	1.3
181.02910	0.4
183.04387	0.9
187.03871	4.0
189.05424	1.5
191.03358	0.4
197.02316	0.5
199.03893	9.5
201.01881	0.3
203.03374	1.0
205.04936	1.6
209.02362	0.9
211.03847	1.6
215.03371	7.5
217.04921	1.8
225.01819	0.6
227.03366	8.9
229.01486	0.3
229.04852	0.8
231.02901	0.9
233.04468	1.4
237.01788	1.2
237.05496	0.3
239.03349	1.0
241.01208	0.3
241.04912	0.6
243.02852	11.7
244.03337	0.4
245.04460	2.7
247.02425	0.6
253.01381	0.7
255.02817	10.3
255.05054	7.3
259.02380	2.0
261.03885	2.0
265.01373	0.6
269.04211	0.6
271.02356	14.5
273.03909	10.0
273.06351	0.2
275.01852	0.6
277.03397	1.5
281.00848	0.4
281.04471	0.3
283.02328	8.4
284.02847	0.4
287.01761	0.3
289.03415	7.5
297.00647	0.4
297.03659	1.4
299.01831	27.8
300.02332	0.7
301.03397	24.1
302.00592	0.5
302.03714	0.6
303.01334	3.2
303.04532	0.5
305.02817	1.2
313.03354	1.0
315.01309	3.1
315.05017	1.2
316.02158	0.8
317.02896	5.8
325.03296	0.4
327.01328	7.7
327.04739	0.4
328.99213	0.8
329.02921	0.5
331.00766	1.0
333.02527	0.3
339.01361	0.4
341.02820	1.7
343.04379	1.2
345.02377	100.0
346.02560	1.1
355.04666	0.6
357.06091	0.6
369.02170	0.8
381.02277	0.7
383.03796	0.4
385.05417	1.1
387.03467	0.5
393.02231	0.6
411.03287	0.8
447.05597	0.7
475.57104	0.4
599.06689	0.3
617.07220	2.7
621.67419	0.4
634.97479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.077
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01592	0.3
51.02371	0.7
53.03914	0.2
55.01856	0.5
65.94621	0.2
69.03418	0.8
70.90437	0.2
70.90776	0.4
75.38445	0.2
77.51819	0.2
79.01849	6.2
81.03410	0.7
85.02899	0.3
97.02881	1.7
103.05465	0.2
107.01315	1.4
109.02880	1.1
119.99162	0.2
123.04447	0.4
125.02335	3.5
127.03924	4.0
127.09470	0.2
131.04922	0.3
138.15511	0.2
138.53000	0.2
139.03891	0.4
143.03389	8.3
145.02875	0.3
145.04922	0.6
147.04408	0.4
153.01822	100.0
153.02838	4.2
154.02208	0.9
159.04402	0.4
161.29510	0.2
163.03912	0.7
173.02370	0.2
175.03920	0.4
179.03409	0.3
187.03873	1.0
191.03435	0.4
195.02899	0.3
201.01831	0.8
203.03397	0.7
205.04916	0.4
207.02951	0.5
213.01880	0.7
215.03316	1.0
219.02899	0.4
229.01289	0.4
231.02861	3.8
233.04286	1.0
241.01318	0.9
244.91876	0.2
247.02425	1.4
257.00858	0.9
259.02386	6.5
261.01462	0.2
261.03885	1.2
271.02405	0.3
275.01819	2.4
276.02679	0.7
277.03415	19.7
278.03763	0.4
279.05081	0.5
285.00296	0.7
297.06134	0.5
303.01328	12.1
321.02475	0.4
345.02307	0.9
363.03537	0.4
385.05551	0.3
617.07361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01868	1.9
55.05508	0.7
58.62004	0.6
62.95519	0.6
65.03940	8.5
67.05505	3.4
69.03422	1.4
71.01353	0.7
71.24727	1.5
73.84790	0.7
79.05501	2.5
81.03411	1.0
81.07044	2.5
82.04195	2.4
85.02921	0.9
91.05479	3.8
93.03401	2.4
93.07027	3.1
95.01304	0.8
95.04958	2.6
95.08589	1.6
97.02882	0.9
97.06540	1.5
103.05466	2.2
105.03352	1.0
105.07011	2.0
107.04939	2.6
107.08591	1.7
108.02101	0.8
109.02873	0.9
109.06497	1.2
109.10172	1.4
110.03660	7.3
111.04439	8.7
119.04942	1.9
119.08575	1.6
121.02872	6.6
121.06516	1.3
121.10127	2.2
123.04406	2.3
125.05994	9.1
127.03871	0.7
127.88654	0.7
129.07010	0.9
131.04913	1.2
131.08556	1.0
133.02846	1.8
133.06432	1.1
135.04401	1.0
135.08011	1.0
137.05945	4.3
138.03091	1.0
142.02661	1.0
147.04420	2.0
147.11732	0.9
148.05188	0.7
149.02370	2.1
149.06000	0.8
149.09642	1.2
151.03897	3.2
151.07550	2.2
153.01845	1.5
153.05464	22.1
159.08020	1.1
159.78642	0.8
161.05945	2.3
162.06776	1.2
163.07516	2.0
165.05519	2.3
165.06984	1.8
165.09050	0.9
167.07072	3.4
167.08351	0.7
169.06450	0.8
171.06544	1.0
173.06035	1.1
173.13246	0.7
175.07646	1.5
177.05496	1.6
178.07755	0.8
179.07085	1.1
179.08511	1.0
181.04947	20.9
181.06537	1.4
181.08510	1.1
183.07922	0.7
184.05061	0.7
185.05890	0.8
189.09230	1.0
191.07018	6.3
193.04970	1.9
194.07263	1.4
195.06535	0.7
195.08133	2.5
197.05878	1.1
197.09610	1.7
207.06516	2.5
207.08228	1.1
207.10265	1.4
208.07329	2.3
209.07997	1.4
209.09702	0.8
210.06711	2.2
211.07475	2.0
212.04742	0.7
212.08307	1.7
219.10110	1.1
221.09663	1.5
222.10266	1.4
223.07541	4.2
224.08331	2.0
225.05490	1.6
225.07274	5.0
225.09393	1.7
226.08229	1.2
227.07083	1.9
235.07591	1.6
237.09091	2.6
238.06287	2.5
238.09839	2.1
239.07062	3.3
239.10574	1.1
240.07767	7.5
241.08646	1.2
249.09061	2.6
249.11365	1.2
251.07047	2.9
252.07768	2.2
253.08597	14.4
253.12207	5.7
254.09404	2.3
255.06512	1.3
255.10136	4.6
257.08240	1.4
265.08636	2.4
266.05826	0.8
266.09381	3.6
267.06635	1.4
267.10229	3.0
268.07214	3.4
269.08105	3.0
270.08786	2.1
277.08603	1.2
278.09512	0.8
279.10172	1.2
281.08066	3.9
281.11694	4.6
282.08725	1.9
283.09677	8.2
284.10355	2.8
285.11148	3.3
285.14560	1.0
295.09686	3.6
296.10242	1.3
297.11139	2.1
298.12036	2.2
299.12723	5.7
303.04913	1.8
304.05249	1.3
305.05490	0.9
309.11188	5.8
310.11954	2.2
311.12796	1.3
313.10703	7.4
313.14417	3.6
317.10205	0.9
327.12244	26.5
328.12994	1.8
331.15472	2.9
339.12299	1.6
341.13934	3.7
359.14868	100.0
360.15216	1.2
371.15063	4.7
372.15710	1.8
389.15845	1.4
420.78326	0.7
503.16766	1.7
535.19635	0.9
615.24115	1.7
615.33124	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	615.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62635	0.4
53.03938	0.6
53.69516	0.3
55.01871	0.7
57.03426	0.4
60.89637	0.4
65.03939	2.0
67.05495	1.5
68.99796	0.6
69.03415	0.4
70.84409	0.7
70.84752	0.4
74.48565	0.4
79.05463	0.4
81.03440	0.8
85.02894	0.9
91.05483	0.5
93.03423	0.5
95.01311	0.5
95.04955	1.2
99.04455	0.4
108.02085	1.9
109.02891	1.0
111.00829	0.8
111.04435	1.2
112.01599	0.5
121.02826	0.5
123.04419	0.5
125.05965	0.6
137.02335	1.7
137.03313	0.5
141.05469	1.8
149.09521	0.5
151.03897	100.0
151.04973	6.8
152.04271	1.5
153.01813	2.4
163.03882	0.7
165.01825	0.9
167.03456	0.5
169.04970	0.5
183.02979	0.6
201.05482	1.0
208.09665	0.4
219.03044	0.4
229.04893	2.8
247.06041	0.5
257.04486	1.5
272.43893	0.4
285.03876	1.1
287.05347	0.4
295.08133	0.4
303.04965	49.8
304.05426	1.9
313.09149	5.0
315.05151	0.4
345.05914	0.9
516.84863	0.4
565.48102	0.4
615.24884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01867	8.3
55.05507	37.9
57.03435	26.5
57.07064	5.2
63.51925	2.1
65.03922	4.2
67.05502	91.9
69.03421	5.5
69.07066	29.9
70.06575	3.3
71.04984	11.3
71.08632	22.1
73.02911	3.6
79.05491	84.3
81.03417	64.7
81.07054	99.1
83.04988	33.3
83.08612	35.1
85.02904	29.7
85.06539	5.8
91.05479	82.5
93.07040	75.6
93.07638	2.7
95.04971	41.9
95.08612	36.2
96.70036	2.5
97.02882	4.8
97.06531	13.1
97.10146	9.4
98.21366	11.5
99.08105	23.0
105.03401	3.9
105.07032	51.3
107.04967	12.5
107.08587	31.2
109.06522	10.0
109.10145	12.1
111.08065	15.6
113.05978	6.5
117.06989	12.1
119.08580	33.2
121.06478	5.3
121.10134	26.7
121.99910	2.3
123.08075	9.6
123.11706	5.5
125.09613	6.9
128.06224	3.0
129.07002	21.3
131.08568	25.6
133.06505	4.2
133.10136	32.2
135.11696	10.7
137.09630	4.1
139.11131	4.0
142.07758	4.6
143.08537	3.2
144.08963	2.6
145.10098	11.8
146.11760	3.2
147.07993	4.9
147.11676	22.9
149.05980	8.4
149.09615	10.8
149.13245	16.0
151.11191	25.2
157.10139	21.1
159.11707	11.2
161.13246	10.2
163.11134	13.6
165.12694	5.0
171.11655	6.1
175.11224	20.0
177.12819	5.6
179.14336	5.8
185.13246	5.5
187.14764	2.9
189.11185	5.7
193.12245	62.2
195.13837	8.8
198.99007	2.6
211.13268	82.4
213.14754	3.4
224.72527	2.4
227.12749	10.8
237.05461	4.8
241.19574	5.7
250.90775	2.9
252.72186	2.5
256.26456	2.4
259.20560	6.2
262.85855	2.5
267.13391	3.4
267.15921	29.6
269.17502	25.9
277.21619	18.9
285.16931	56.2
300.28928	4.7
341.10056	5.5
349.14001	3.2
351.25372	25.2
383.24255	5.4
461.28894	21.5
463.30606	3.4
479.30057	100.0
543.36560	5.1
561.37897	15.1
614.36511	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	614.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01867	8.3
55.05507	37.9
57.03435	26.5
57.07064	5.2
63.51925	2.1
65.03922	4.2
67.05502	91.9
69.03421	5.5
69.07066	29.9
70.06575	3.3
71.04984	11.3
71.08632	22.1
73.02911	3.6
79.05491	84.3
81.03417	64.7
81.07054	99.1
83.04988	33.3
83.08612	35.1
85.02904	29.7
85.06539	5.8
91.05479	82.5
93.07040	75.6
93.07638	2.7
95.04971	41.9
95.08612	36.2
96.70036	2.5
97.02882	4.8
97.06531	13.1
97.10146	9.4
98.21366	11.5
99.08105	23.0
105.03401	3.9
105.07032	51.3
107.04967	12.5
107.08587	31.2
109.06522	10.0
109.10145	12.1
111.08065	15.6
113.05978	6.5
117.06989	12.1
119.08580	33.2
121.06478	5.3
121.10134	26.7
121.99910	2.3
123.08075	9.6
123.11706	5.5
125.09613	6.9
128.06224	3.0
129.07002	21.3
131.08568	25.6
133.06505	4.2
133.10136	32.2
135.11696	10.7
137.09630	4.1
139.11131	4.0
142.07758	4.6
143.08537	3.2
144.08963	2.6
145.10098	11.8
146.11760	3.2
147.07993	4.9
147.11676	22.9
149.05980	8.4
149.09615	10.8
149.13245	16.0
151.11191	25.2
157.10139	21.1
159.11707	11.2
161.13246	10.2
163.11134	13.6
165.12694	5.0
171.11655	6.1
175.11224	20.0
177.12819	5.6
179.14336	5.8
185.13246	5.5
187.14764	2.9
189.11185	5.7
193.12245	62.2
195.13837	8.8
198.99007	2.6
211.13268	82.4
213.14754	3.4
224.72527	2.4
227.12749	10.8
237.05461	4.8
241.19574	5.7
250.90775	2.9
252.72186	2.5
256.26456	2.4
259.20560	6.2
262.85855	2.5
267.13391	3.4
267.15921	29.6
269.17502	25.9
277.21619	18.9
285.16931	56.2
300.28928	4.7
341.10056	5.5
349.14001	3.2
351.25372	25.2
383.24255	5.4
461.28894	21.5
463.30606	3.4
479.30057	100.0
543.36560	5.1
561.37897	15.1
614.36511	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	614.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.8
53.17995	2.4
55.01855	9.2
55.05276	3.3
55.05509	45.3
57.03436	25.3
57.07067	5.3
59.03825	3.0
59.05009	3.1
65.03934	6.8
67.05504	100.0
69.03425	7.4
69.07069	27.9
69.24426	29.9
71.04978	9.6
71.08613	5.7
71.62646	2.6
77.03907	2.5
79.05490	93.4
81.03416	72.6
81.07056	97.6
83.04973	30.1
83.08620	31.6
85.02905	34.8
85.06531	8.9
89.06032	2.9
91.05475	93.2
93.07041	83.9
95.04389	3.0
95.04976	47.0
95.08608	50.8
97.06532	13.6
97.10154	8.1
99.08083	11.2
105.07031	56.9
107.04926	12.8
107.08588	42.8
108.08908	3.9
109.06500	11.2
109.10136	12.5
111.04440	5.9
111.08083	14.9
113.09612	4.1
117.07013	17.9
119.08565	36.6
121.06497	6.3
121.10150	34.3
123.08094	5.4
123.11692	9.0
125.09588	6.5
128.06203	2.9
129.06998	20.3
131.08557	35.0
133.06520	4.0
133.10130	32.3
135.11681	16.2
137.09639	4.8
139.11226	3.7
142.07814	4.3
143.08546	7.2
145.10092	14.9
147.08035	6.2
147.11688	25.7
149.09608	7.7
149.13240	15.6
151.11156	8.7
155.08540	3.8
157.10115	23.5
159.11681	12.5
161.13211	5.5
163.11154	4.3
163.14813	3.7
165.03470	2.9
165.12735	6.2
169.10118	4.0
171.11754	4.9
173.13206	4.2
175.11208	18.4
177.12663	3.9
179.14316	3.6
185.13219	4.2
193.12239	63.4
195.13748	6.1
211.13281	58.9
212.95389	3.2
229.14285	3.2
243.21104	6.1
261.22119	12.0
267.15927	16.4
277.21539	4.5
285.16910	38.9
335.25864	26.0
351.25336	6.0
433.74411	2.9
453.33423	4.2
461.29282	4.2
471.35159	3.5
479.30026	16.8
527.37421	13.4
545.38232	21.0
614.37256	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	613.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80094	5.8
55.05508	34.3
57.03425	9.2
57.07062	8.0
67.05501	80.6
69.07056	29.3
71.08610	6.6
71.53254	7.9
79.05482	45.5
81.07056	84.6
82.07372	6.4
83.08611	23.5
91.05476	31.2
93.07046	50.7
95.08608	54.2
97.06480	5.9
97.10159	11.1
99.72043	5.1
105.07021	54.9
107.08598	23.6
108.74654	4.9
109.10159	24.1
110.78715	5.3
111.08055	7.9
117.07013	10.5
117.51010	6.8
119.08575	48.8
121.10120	25.0
129.06952	10.4
130.07785	7.4
131.08556	30.8
133.10098	33.6
135.11662	16.9
143.08574	8.4
145.10120	33.1
147.11693	21.9
157.10097	13.0
159.11690	28.9
161.13220	18.7
166.25241	5.3
171.11678	9.0
173.13261	17.9
185.13304	12.4
213.16353	5.5
257.18878	6.8
259.20584	9.6
337.27023	7.3
474.66245	6.5
521.43140	9.3
595.46881	7.3
613.48004	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	614.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41201	0.4
53.03918	0.5
55.05490	1.1
55.11535	0.4
57.07074	7.1
58.06597	2.3
64.09663	0.4
65.03912	1.1
67.05475	1.1
68.05013	0.8
69.07052	0.6
70.06588	19.3
71.08627	3.2
72.08128	0.6
74.06084	0.5
79.05456	0.8
80.78358	0.4
81.03383	0.7
81.07019	1.2
83.08588	0.5
85.10146	1.1
88.07628	23.3
91.05424	0.7
93.07020	0.7
95.04981	0.7
95.08607	0.9
95.40311	0.4
97.92203	0.4
98.21524	1.0
102.09180	17.4
105.07020	0.8
107.08565	0.8
109.10152	0.6
117.07030	0.4
119.08586	0.5
121.10126	0.5
127.45983	0.4
131.04942	0.6
133.10143	0.5
139.03827	1.0
147.04385	0.5
147.11694	0.4
149.02336	46.4
150.53397	0.4
160.07571	1.6
167.92900	0.4
175.03935	0.9
193.04956	53.9
194.05276	0.7
212.23788	0.6
219.06526	1.5
225.05542	0.8
229.69000	0.4
256.26343	48.3
257.26675	1.5
269.04440	1.9
297.00894	0.5
297.03952	3.4
313.06985	3.0
341.06558	12.1
342.07050	0.5
359.07623	7.7
385.09152	54.8
386.09579	1.8
555.17078	0.6
614.33197	100.0
615.33344	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	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	1.4
55.01879	1.1
55.05513	14.1
57.03439	2.9
57.07073	6.2
64.54680	0.6
64.91719	0.6
65.03947	1.1
67.05500	22.5
69.06691	0.7
69.07069	13.3
71.04993	1.3
71.08626	3.4
79.05490	15.4
81.07053	27.8
82.07429	0.7
83.04989	1.9
83.08621	7.4
85.06542	1.5
91.05474	12.1
93.07040	16.9
95.04974	2.7
95.08604	18.1
95.09187	1.2
97.06555	2.2
97.10176	3.4
99.08075	1.3
101.33751	0.6
105.04535	0.6
105.07030	18.7
107.08585	10.1
109.06529	2.0
109.10146	8.1
111.08090	1.5
111.11712	1.1
115.05436	0.7
117.07003	9.2
119.08578	22.4
121.10127	7.7
123.11693	3.7
125.09650	1.6
128.06207	1.1
129.07002	6.1
130.07811	0.8
131.08557	18.0
133.10132	9.2
135.11685	5.4
137.13219	1.1
139.11153	0.6
141.06958	2.1
142.07782	0.9
143.08559	8.5
144.09258	0.8
145.10121	19.8
147.08134	0.6
147.11687	5.8
149.13297	2.3
151.11282	0.9
155.08528	4.7
157.10132	8.1
159.11708	9.0
161.05971	1.0
161.13266	5.9
163.11194	1.3
163.14815	0.9
167.08545	1.0
169.10114	4.0
169.55916	0.6
171.11691	6.5
173.09671	0.9
173.13264	5.7
175.11279	0.6
175.14833	5.3
177.12685	0.7
177.16492	0.7
179.14323	1.0
181.10107	2.2
183.11697	4.0
185.11806	0.9
185.13277	5.5
187.14812	6.1
189.16412	2.5
195.11714	2.1
197.13200	4.1
199.14845	4.8
201.16405	6.4
203.18005	1.7
205.19547	0.8
209.13260	1.6
211.14828	3.1
213.16429	4.3
215.14323	0.6
215.17992	3.1
217.19533	1.5
223.14853	1.3
225.16379	1.7
227.18021	1.9
229.19542	2.6
231.21101	2.5
237.16412	1.0
239.17940	1.7
241.19576	1.4
243.21248	0.9
245.22694	1.6
251.18004	0.8
255.21123	2.0
257.19022	1.0
257.22861	1.0
261.18640	0.7
267.21143	1.2
269.22693	0.8
271.24176	0.9
273.15033	1.0
285.22107	0.7
297.22244	0.7
299.23752	1.6
301.14288	2.9
313.25076	1.0
315.23135	0.8
325.25214	1.2
327.26880	0.7
341.24817	0.7
341.28561	0.8
353.28116	0.8
383.33093	0.9
395.33508	0.9
421.34653	0.8
433.34488	0.8
437.33844	0.7
451.35846	1.4
503.42862	3.0
515.37341	1.8
521.43579	13.7
522.43927	0.7
529.38403	1.0
539.44580	6.1
543.40289	0.7
577.46100	1.4
595.47217	9.1
613.48291	100.0
614.48773	6.8
640.32977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02397	1.5
53.03926	4.3
55.01871	2.0
55.05507	23.9
57.03428	6.1
57.07064	4.5
65.03930	3.9
67.05502	62.7
69.07064	23.9
70.69453	4.5
71.04997	2.6
71.08619	2.4
79.05026	1.6
79.05486	39.7
81.07051	72.4
83.04994	1.9
83.08607	9.2
85.06557	1.7
91.05476	30.7
93.06431	1.6
93.06599	1.0
93.07034	49.0
95.04949	6.3
95.08600	53.0
97.06506	3.7
97.10172	4.3
99.08078	2.1
105.07033	28.6
107.08576	34.8
107.09299	1.7
109.10153	27.2
110.07987	1.6
111.08076	2.4
115.05525	1.5
117.07013	10.2
119.08568	28.4
121.10136	23.6
123.11697	9.0
129.06998	5.5
131.08536	21.5
133.10123	21.3
135.11716	12.9
143.08546	6.4
145.10120	17.9
147.11688	15.0
149.13240	7.3
149.27499	1.5
157.10141	6.7
159.11688	13.0
161.13226	9.7
163.14809	4.6
165.88075	1.4
169.10187	3.7
171.11594	7.9
173.13269	10.8
175.14859	3.9
177.16344	1.7
183.11624	2.5
185.13293	7.4
187.14793	6.1
189.16310	3.0
197.31122	1.5
199.14894	5.6
201.16341	3.7
213.16360	2.8
223.69954	2.2
241.19633	2.6
243.21167	3.1
245.22694	1.9
259.20633	8.6
261.22168	9.2
277.21704	2.9
285.22174	1.5
299.23822	2.4
317.24924	2.0
333.24344	5.4
335.25748	15.5
337.27438	8.8
382.93958	1.7
503.36475	2.2
517.38788	1.9
521.43420	5.8
529.38464	1.9
539.44653	2.9
543.40338	2.1
595.47046	12.4
613.48169	100.0
614.48810	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	3.2
55.01873	1.4
55.05238	1.3
55.05509	18.2
57.03442	6.0
57.07069	3.2
65.03931	2.6
67.05505	61.0
69.06736	1.7
69.07069	22.8
71.08631	2.0
71.12415	2.4
79.05492	30.2
81.07053	66.3
83.04974	2.0
83.08618	13.3
85.06527	2.6
89.37605	1.0
91.04914	1.6
91.05472	26.2
93.07041	42.9
95.04966	2.2
95.07991	2.7
95.08602	54.8
97.06522	3.8
97.10166	5.6
99.08109	2.2
103.05360	1.2
105.07030	25.7
105.07706	2.0
107.08589	25.7
109.06498	1.6
109.10154	28.6
109.10856	2.3
109.95969	1.0
111.11719	1.5
113.09618	1.6
115.05481	1.1
117.07018	10.2
119.08578	32.3
121.10144	24.1
123.08116	1.9
123.11689	9.7
124.19807	1.1
125.09666	1.1
129.06979	4.8
131.08566	19.6
133.10129	25.7
135.11682	18.6
137.09586	1.4
137.13268	3.5
143.08569	7.9
145.10123	18.8
147.11687	16.2
149.13252	9.2
151.11169	1.2
151.14786	1.8
155.08585	1.9
157.10149	7.9
159.11685	14.9
161.13229	12.9
162.11905	1.1
163.11201	1.8
163.14848	5.3
169.10136	2.7
171.11713	10.7
173.13263	15.4
175.14787	6.2
177.16399	2.9
179.14343	2.0
183.11777	3.3
185.13263	6.8
185.14885	1.1
187.14777	6.7
189.16435	2.8
191.14491	1.2
191.17963	1.7
197.13322	3.3
199.14917	3.4
201.16473	4.0
211.14868	1.6
213.16422	2.5
215.18036	1.8
217.19667	1.5
227.18111	1.6
229.19398	1.3
241.19572	3.4
243.21028	2.5
247.20753	1.5
259.20459	7.7
261.22195	9.8
263.23755	2.2
273.22089	1.6
277.21646	2.5
287.23883	2.3
299.23615	2.3
301.25223	1.1
303.23364	1.4
313.25256	1.6
315.23257	1.5
317.24933	2.3
333.24298	7.0
335.25781	12.4
337.27448	8.5
447.44971	1.4
477.84351	1.3
503.37308	3.3
521.43353	5.2
529.39270	2.1
539.44446	4.1
543.40393	2.5
595.47083	11.2
613.48230	100.0
614.48376	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	613.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.3
52.90586	0.2
53.03934	0.5
55.01857	0.7
57.15185	0.3
65.03932	1.8
67.05478	0.8
68.62241	0.3
69.03406	0.8
69.07054	0.3
71.17720	0.3
71.18033	0.5
76.01762	0.3
78.04713	3.0
79.05486	1.7
81.03389	0.9
81.07035	1.0
82.04176	0.7
83.04974	0.4
85.02923	1.4
91.05484	4.9
91.06044	0.5
91.60072	0.3
93.03384	0.8
93.07057	0.5
94.04134	0.3
95.04955	1.6
95.08602	0.3
96.05735	0.6
97.02857	0.6
97.06528	0.7
103.05472	2.3
105.07010	0.5
106.04171	1.8
107.04962	2.1
108.02090	0.4
109.02890	0.5
109.06465	0.4
110.03654	1.1
111.04427	1.1
115.04708	0.4
115.05452	4.9
116.06175	0.3
117.07017	8.0
119.04948	4.6
119.08548	0.4
120.05264	0.3
121.06484	0.4
121.10096	0.4
122.03632	0.8
123.03584	0.5
123.04429	8.0
124.05228	2.9
125.05991	1.5
127.03981	0.4
127.05465	1.4
130.04131	0.4
131.04916	1.0
132.05652	0.4
133.02798	0.4
133.06407	0.4
134.03606	0.5
135.04424	0.7
135.08032	0.3
137.05965	6.3
138.03119	0.7
139.03880	0.4
139.07602	0.3
142.02588	0.7
143.04924	0.9
144.05717	0.6
145.06483	13.4
145.10072	0.3
147.04410	7.8
147.08022	1.0
148.04744	1.4
149.04897	0.3
149.05984	0.5
151.03912	2.3
151.07510	0.8
152.04691	2.0
153.01785	0.6
153.05463	2.4
155.06030	4.9
161.05946	0.8
163.03903	1.4
163.07460	0.4
165.05481	0.6
167.07036	100.0
168.07353	1.6
171.06540	1.8
173.05986	23.2
175.03960	0.5
175.07492	0.8
177.05492	0.7
179.07033	1.8
181.04951	32.3
182.05388	0.3
189.05435	0.4
190.06319	0.5
191.06984	0.5
201.05428	0.5
203.06995	1.4
205.08598	5.0
207.06543	0.4
213.05495	0.3
219.06458	0.4
220.07297	0.3
231.06532	0.6
233.08098	5.8
233.10349	0.4
235.07646	0.3
235.09644	5.4
250.06273	0.5
251.07092	0.3
264.07642	0.4
265.08728	0.5
269.62271	0.3
280.07129	0.4
293.07950	0.6
295.09982	0.3
297.11182	0.5
299.09055	0.4
303.05078	1.1
310.08197	0.5
325.10483	0.8
326.11633	0.4
353.10101	0.4
356.12424	0.4
357.13376	2.8
367.11636	0.5
377.32938	0.3
385.12796	19.3
386.13248	0.8
387.14395	6.4
417.15433	13.7
418.15897	0.3
430.70459	0.3
515.16931	0.4
583.21948	2.4
589.40808	0.3
613.22772	38.3
614.23352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2275
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
52.85806	0.3
53.03938	0.6
55.01855	0.7
55.05507	0.4
59.87346	0.3
60.96956	0.3
65.03937	2.9
65.15457	0.3
67.05480	1.2
69.03396	0.9
71.02872	0.7
71.03246	0.7
78.04719	3.2
79.05485	1.6
81.03391	0.9
81.07035	1.0
82.04179	0.6
85.02917	2.0
91.05476	4.1
93.03397	0.7
93.07028	0.4
95.04952	1.8
97.02849	0.7
97.06510	0.8
103.05480	2.1
105.07026	0.6
106.04156	2.1
107.04950	2.4
109.02858	0.8
109.06534	0.5
110.03673	1.6
110.64306	0.3
111.04432	1.1
113.06010	0.4
115.05451	5.6
117.07018	8.6
119.04925	4.0
119.08562	0.7
121.10106	0.4
122.03606	0.8
123.03586	0.6
123.04429	8.4
124.05222	2.9
125.05979	1.4
127.05444	1.4
128.06209	0.4
129.07008	0.3
130.04135	0.6
131.04932	1.7
133.02805	0.5
133.06532	0.5
134.03561	0.5
135.04347	0.4
137.02258	0.3
137.05981	6.2
138.03073	0.9
139.03914	0.4
142.02612	0.9
143.04922	1.0
144.05701	0.4
145.06487	13.8
147.04398	4.6
147.08015	0.6
149.02377	0.4
149.05991	0.3
151.03905	3.5
151.07585	0.6
152.04657	2.4
153.05467	2.7
155.04962	0.5
155.06041	4.5
161.05968	1.6
163.03922	0.8
163.07518	0.6
165.05508	0.7
167.07031	100.0
168.07330	0.7
171.06432	1.8
173.05983	22.1
175.07492	1.2
177.05511	0.6
179.07004	1.8
181.04953	35.3
182.05295	0.5
190.06258	0.6
191.07053	2.3
193.08553	0.4
201.05475	0.8
203.07001	1.4
205.08614	5.0
207.06459	0.8
219.06490	0.5
223.12874	0.4
231.06561	0.7
233.08092	5.4
235.09666	5.5
250.06389	0.5
262.36292	0.3
265.08517	0.5
282.09088	0.4
283.09625	0.4
297.11310	0.6
303.05170	0.7
310.08224	0.4
325.10733	0.7
349.57513	0.4
353.10391	0.4
357.13303	2.9
385.12808	22.8
386.13184	0.8
387.14371	7.0
417.15408	11.5
418.15656	0.5
451.06934	0.7
515.17035	0.5
583.21936	3.3
613.22772	48.4
614.22955	2.1
626.71338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01857	0.9
55.05514	4.1
57.03432	1.1
65.03924	0.8
67.05506	3.2
68.99787	0.8
69.03422	1.6
69.07067	0.7
69.18542	3.1
69.18967	1.7
73.10598	0.5
77.03921	0.8
79.05495	28.2
79.92201	0.5
81.03423	3.2
81.07068	3.0
83.04996	0.5
83.08621	0.9
85.02922	2.6
90.37318	0.4
91.05481	11.6
93.07046	56.4
94.07391	0.5
95.04968	4.0
95.08575	1.6
97.02878	1.1
99.04430	0.5
105.04509	0.8
105.07025	6.1
107.04954	1.2
107.08594	26.8
109.02866	1.4
109.06505	1.6
109.10147	1.9
111.00774	1.1
117.06992	0.7
119.08588	2.2
121.02870	1.0
121.06507	0.8
121.10146	39.4
123.04432	1.0
123.08082	1.0
123.11768	0.6
125.05925	0.5
127.03890	1.4
129.06943	0.6
131.08557	1.2
133.10130	1.1
135.04395	0.6
135.08061	0.5
135.11728	0.7
137.02328	3.5
137.05930	0.6
145.06488	0.8
145.10121	1.0
149.06027	0.5
149.09645	5.5
153.01830	4.5
163.03894	0.8
163.11269	0.7
165.01836	2.4
165.09154	0.7
167.07033	2.0
167.10663	1.5
171.07962	0.6
171.11748	0.6
173.05997	1.4
173.13228	0.5
177.05482	0.7
181.04892	1.0
183.02921	1.0
185.09406	0.5
191.03308	0.5
195.11636	0.4
201.05453	1.8
219.06490	0.7
224.83694	0.5
229.04956	4.2
250.86281	0.4
257.04517	3.0
277.43222	0.4
285.04065	1.1
303.04993	100.0
304.05460	1.1
311.14899	5.6
315.04739	0.5
345.05978	1.7
411.07010	0.8
451.18970	0.8
613.13757	0.8
613.22937	0.9
613.33551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
53.50942	4.7
55.01854	13.0
55.05508	34.9
57.03439	22.6
63.58381	3.9
67.05499	81.4
68.05848	4.5
69.03391	4.7
69.07051	31.0
71.04980	13.0
71.08609	6.5
71.52762	7.7
73.94550	4.2
79.05025	4.3
79.05483	85.4
79.43866	3.7
81.03410	45.2
81.06593	7.4
81.07048	100.0
83.04971	29.8
83.08617	31.0
85.02914	23.3
85.06536	5.9
91.05461	88.5
93.07035	77.3
95.04957	41.6
95.08591	53.3
97.06525	17.3
97.10133	7.1
99.08091	7.4
103.03784	3.9
105.07027	65.1
107.04943	14.9
107.08596	39.9
109.06491	11.4
109.10126	14.2
111.08065	14.0
117.06993	28.2
119.08579	51.2
121.06515	9.5
121.10126	31.8
123.08028	8.2
123.11685	6.8
124.54957	4.0
125.09628	8.8
129.07008	14.2
131.08545	30.6
133.10138	49.5
135.08040	9.5
135.11671	18.3
137.09581	8.5
143.08556	7.7
145.06448	6.1
145.10106	23.1
145.42255	3.9
147.04346	4.7
147.11670	28.0
149.09634	11.9
149.13246	9.7
151.11134	9.3
155.08574	7.3
157.10101	16.4
159.11649	13.9
161.13261	10.5
163.11177	15.3
171.11639	10.3
173.13280	5.8
175.11240	15.2
175.14758	4.7
176.49214	3.7
177.12823	5.5
177.95108	3.8
179.14368	4.5
185.13269	8.2
193.12227	47.7
195.11650	4.2
195.13838	6.0
197.13330	4.4
211.13255	31.2
241.19579	5.2
257.19022	8.3
259.20468	22.4
267.15939	10.6
275.20004	7.5
283.15424	15.6
285.17099	23.7
293.21008	11.8
333.24255	22.6
351.25848	4.3
477.28333	44.7
479.29764	12.0
491.06049	5.0
525.24365	6.6
543.36353	5.9
553.24933	7.1
612.35522	22.2
612.44751	8.1
613.26532	46.7
613.35638	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	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.3
51.21381	1.7
53.03938	6.8
54.40487	1.9
55.01871	10.2
55.05511	33.1
57.03433	23.1
59.05006	2.7
65.03932	6.1
67.05502	78.1
69.03423	5.8
69.07069	37.0
71.04990	9.7
71.21529	3.5
71.21886	2.8
73.06535	2.1
79.05491	79.4
79.31986	1.9
79.37817	2.0
81.03417	63.0
81.07054	100.0
81.07539	4.7
83.04977	27.4
83.08613	34.4
85.02907	27.3
85.06536	4.7
86.35784	1.8
91.05477	82.1
92.05821	2.0
93.07043	67.4
95.04964	38.9
95.08600	44.5
97.02892	2.1
97.06528	23.7
97.10155	15.9
99.08092	4.0
100.32887	2.3
100.84834	2.2
103.05444	3.0
105.04514	2.7
105.07027	65.4
107.04925	16.2
107.08585	39.2
109.06509	11.5
109.10143	16.6
111.04485	2.9
111.08069	13.5
115.05499	2.1
117.07017	16.0
119.08573	44.1
121.06500	5.9
121.10141	25.1
123.08057	6.1
123.11700	4.9
125.09602	10.9
127.07556	2.2
128.06174	2.7
129.07001	20.3
131.08559	33.4
133.06467	4.1
133.10129	35.5
135.08058	4.4
135.11678	12.9
137.09697	4.6
141.07042	3.8
142.07793	5.9
143.08588	8.4
145.10114	16.1
147.08081	3.9
147.11679	25.1
149.09627	23.7
149.13277	9.9
155.08667	3.4
157.10112	19.5
159.11676	10.9
161.09627	2.7
161.13239	3.5
163.11111	11.5
165.12785	4.9
169.10077	4.0
171.11719	5.9
173.13272	6.5
175.11182	17.7
175.14799	2.1
177.12718	5.6
179.14293	5.1
185.13252	2.3
189.11281	5.4
193.12241	48.0
193.13902	3.6
195.13814	5.9
211.13278	55.2
227.12759	12.7
229.19536	2.9
239.18025	4.1
247.20735	2.6
255.15746	10.8
257.19064	9.7
267.15891	25.1
269.17474	21.1
275.20053	33.1
285.16934	37.4
293.21115	2.1
319.40137	1.9
331.22617	3.2
349.23706	25.2
367.24622	3.8
368.75735	2.0
402.20416	2.1
447.27484	4.2
461.28833	12.2
465.28403	13.5
479.23453	3.8
479.29999	43.9
541.35052	4.4
553.28973	2.3
559.36267	16.2
577.37311	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	612.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.01856	10.9
55.05501	32.6
57.03434	22.4
65.03925	3.0
67.05502	83.4
69.03426	6.4
69.07061	30.5
69.87395	6.2
69.87808	7.3
71.04987	9.9
79.05489	70.2
81.03414	65.5
81.07047	100.0
83.04985	26.6
83.08609	34.8
85.02901	28.4
85.06496	4.4
88.07565	2.6
91.05469	72.2
92.68952	3.4
93.07034	68.4
95.04954	34.0
95.08596	38.8
97.06509	15.5
97.10160	9.3
98.20749	3.1
99.08082	4.5
102.17467	2.4
105.07024	59.2
107.04967	12.7
107.08579	38.9
109.06512	10.1
109.10122	14.4
111.04437	3.0
111.08055	15.3
113.05975	3.4
115.05429	3.7
117.07011	17.8
119.08571	44.1
121.06516	6.0
121.10115	27.9
123.08058	7.3
123.11723	6.8
125.09599	7.5
128.06195	3.6
129.06967	17.2
131.08546	32.9
132.10371	2.3
133.06467	4.7
133.10112	38.9
135.08099	4.0
135.11676	20.6
137.09566	4.6
143.08543	5.1
145.10139	14.4
147.07986	3.5
147.11682	28.8
149.09636	13.9
149.13200	13.4
151.11115	5.0
157.10112	21.9
159.11703	16.6
161.13353	3.1
163.11166	7.3
165.12672	3.5
169.10052	3.2
171.11746	6.3
173.09692	3.9
173.13261	5.6
175.11214	20.7
177.12779	5.5
183.11710	3.2
189.11232	2.8
191.07059	4.8
193.12227	62.5
195.13744	6.2
211.13277	77.0
211.15297	5.0
255.15875	20.5
257.18964	8.9
267.15887	31.6
269.17398	34.1
275.20013	28.5
285.16940	71.8
349.23776	20.4
367.24463	3.2
369.24179	3.0
447.27115	7.8
461.29062	20.3
465.28540	24.5
479.30035	70.0
541.34961	4.8
559.36066	10.3
595.35870	2.6
612.34857	6.1
613.36902	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	612.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
65.03926	2.4
67.05490	1.8
69.03413	3.7
69.07043	1.3
70.63654	3.5
79.05497	2.4
81.03399	1.8
81.07049	1.9
83.04988	5.9
83.08598	1.4
85.02874	1.2
91.05476	18.8
93.07011	3.3
95.04966	2.3
95.08588	3.0
103.05473	0.9
103.89233	0.9
105.07037	2.5
107.04934	2.4
107.08591	33.6
109.02865	0.9
109.06504	1.2
109.10130	2.2
111.08054	1.6
117.02761	1.0
119.04935	26.5
119.08562	2.3
121.06471	1.2
121.10123	6.2
125.09696	0.9
131.08556	2.2
133.10124	6.3
135.08044	2.7
135.11678	1.7
137.05988	2.1
145.06451	1.4
145.10147	1.2
147.04404	26.7
147.11662	2.5
149.02400	1.1
149.09587	1.6
149.13213	3.6
153.09087	1.9
157.03957	2.9
164.04652	1.3
167.07053	4.5
168.03719	1.0
173.06090	1.1
173.13278	3.2
175.03906	48.1
179.07014	2.2
181.04968	1.6
191.14308	64.5
192.04158	1.3
204.44142	1.1
207.06525	100.0
208.06924	1.3
254.95012	1.1
303.04834	1.9
317.06345	1.9
318.06961	2.0
369.11664	3.6
397.20020	1.9
472.69620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78749	4.7
55.01846	5.1
55.05492	5.4
57.03433	6.6
69.03404	19.0
69.21320	43.1
79.05470	11.6
81.03414	9.1
81.07040	7.6
83.04974	9.8
85.02899	17.0
86.06056	11.4
91.05460	19.5
95.08595	7.7
97.02866	15.9
99.04427	5.3
104.32452	4.4
105.07021	12.3
106.04205	5.3
107.08582	27.0
115.03864	8.2
117.06993	8.3
119.04919	22.4
120.16616	4.5
121.02888	6.0
121.10113	8.5
123.04412	13.8
127.03861	9.8
135.04436	5.6
137.02303	5.2
137.05972	18.3
145.06458	15.2
147.04388	24.9
161.05975	5.3
163.03897	13.0
167.07024	100.0
167.33661	5.5
173.05983	16.7
175.03940	26.2
179.07074	6.3
181.04944	53.6
191.03424	5.0
191.14304	49.8
198.11221	21.7
205.08611	9.6
207.06496	59.8
232.36192	5.2
303.04883	10.8
317.06531	16.4
318.06839	19.8
339.20627	4.9
365.32013	5.5
369.11905	6.4
385.12750	19.5
417.15344	8.4
439.97830	5.9
514.18909	8.1
613.22864	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45132	0.5
53.03946	1.5
55.01867	2.3
55.05513	15.6
55.86643	0.6
57.03439	4.2
57.07077	4.5
65.03931	1.9
67.05506	31.1
69.07070	16.3
69.40794	4.3
71.04984	1.3
71.08618	1.8
77.03946	0.7
79.05496	19.9
81.03433	1.1
81.07059	31.0
83.04984	2.4
83.08622	8.9
85.06554	1.6
85.10191	0.7
91.05478	18.0
93.07046	21.7
94.07383	0.6
95.01311	0.9
95.04958	2.9
95.08610	25.0
97.06509	2.7
97.10165	5.2
98.20798	1.3
99.08107	0.7
103.05461	0.7
105.07036	19.4
107.04954	1.1
107.07881	1.0
107.08598	15.1
109.06515	1.4
109.10167	10.0
111.08089	1.6
115.05460	1.4
117.07023	11.3
119.08587	17.8
121.10142	9.1
123.08080	1.2
123.11717	3.0
125.09663	2.1
128.06209	3.0
129.07013	10.1
130.07820	1.3
131.08566	20.4
131.09541	1.0
133.10129	10.1
135.08127	1.2
135.11691	6.9
137.09618	0.7
137.13295	1.0
139.11157	1.3
141.07001	4.3
142.07819	3.3
143.08565	18.7
144.09329	1.2
145.10133	18.7
147.04387	3.7
147.11710	7.0
149.13307	2.0
153.07040	0.6
153.12769	0.7
154.07761	0.7
155.08551	10.2
156.09363	2.1
157.10130	15.8
158.10913	0.9
159.11694	13.5
161.09616	0.7
161.13272	4.6
163.11215	0.9
163.14827	2.1
167.08557	3.6
168.09319	0.9
169.10133	13.4
170.10965	1.1
171.08299	0.6
171.11697	14.6
173.13242	8.4
175.11255	0.6
175.14848	3.5
177.16383	1.4
179.08569	1.6
180.09312	0.7
181.10118	5.8
182.10971	0.6
183.11702	11.6
185.13258	9.0
187.14830	5.6
189.16446	2.3
191.18005	1.5
193.10229	2.1
195.11659	5.1
196.12511	0.6
197.13272	8.6
199.14827	7.1
201.16394	4.8
203.17940	1.3
205.10170	0.6
207.11757	1.5
209.13263	5.6
211.14865	5.2
213.16425	7.0
215.17938	3.3
217.19653	0.9
219.11728	0.9
221.13290	1.5
223.14757	3.6
225.16411	4.5
227.18123	3.9
229.19536	3.0
231.21014	0.6
233.19057	0.9
235.14928	1.8
237.16330	2.7
239.18018	3.9
241.19731	2.8
243.21179	1.8
245.19131	0.7
247.20677	0.9
249.16460	0.9
251.18102	1.6
253.19604	2.2
255.17511	0.7
255.21165	1.8
257.19025	1.3
257.22495	0.6
259.13379	3.9
263.17923	1.1
265.19418	1.4
267.21146	1.4
269.22681	1.5
275.20197	1.8
277.21899	0.6
279.21130	0.9
281.18939	0.9
281.22580	1.8
287.23691	0.7
295.24240	1.0
297.21915	1.0
307.24341	0.7
309.22232	0.7
311.23740	1.7
321.22174	0.8
323.23782	1.2
325.21628	0.7
325.25201	1.3
333.16998	0.8
335.25955	1.9
337.25342	1.1
339.26996	1.3
351.22964	0.7
353.24615	1.1
353.28467	1.6
355.26193	1.0
361.25388	0.7
365.28622	0.7
367.29956	1.6
379.30194	0.8
381.27353	0.8
381.31766	1.4
395.33435	1.3
397.31174	0.8
407.33286	1.3
411.32626	0.6
421.30530	0.8
431.32913	0.8
435.32605	1.1
437.34274	0.8
449.33932	1.6
451.35794	1.0
463.36026	0.7
469.38159	0.7
501.41406	2.7
513.36029	0.9
519.42023	16.9
537.43079	8.3
541.39368	1.0
543.40228	0.7
549.38171	0.6
555.43512	1.2
557.43768	0.9
575.44751	2.4
593.36560	1.0
593.45667	15.3
594.45984	0.9
611.46735	100.0
612.47125	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03936	1.5
55.01871	1.9
55.05505	15.7
57.03434	3.7
57.07065	5.3
59.04999	0.7
65.03944	1.3
67.05497	27.8
69.03420	0.6
69.07061	14.4
70.18944	0.4
70.25681	1.5
71.04980	1.6
71.08621	2.6
79.05482	17.6
80.05787	0.4
81.03410	1.6
81.07046	28.1
83.04968	1.1
83.08607	8.2
85.06540	2.3
85.10187	0.7
91.05466	15.7
93.07031	21.0
95.04942	2.5
95.08595	23.4
97.06533	2.7
97.10162	4.6
99.08102	1.2
103.05450	0.6
105.07018	18.0
107.04947	0.4
107.08580	13.4
109.06494	1.1
109.10141	9.7
111.04459	0.4
111.08094	1.5
113.09674	0.5
115.05450	1.4
116.06181	0.6
117.07000	10.4
118.79501	0.3
119.08572	17.3
121.06551	0.4
121.10129	8.0
121.10938	0.7
123.08029	2.0
123.11667	2.5
125.09612	2.2
128.06213	2.5
129.06992	10.5
130.07802	0.6
131.08546	19.6
132.08908	0.5
133.10115	11.3
135.08043	0.5
135.11659	5.0
137.09631	1.1
137.13257	0.5
139.11165	0.8
141.06947	4.6
142.07776	2.2
143.08548	16.8
144.09296	0.5
145.06496	0.5
145.10103	18.1
147.11658	6.4
149.09647	0.4
149.13254	3.0
151.11174	0.7
151.14789	0.7
153.07115	0.5
154.07751	0.6
155.08540	8.5
156.09279	2.0
157.10121	16.1
158.10890	1.0
159.11665	12.1
161.09644	0.6
161.13225	3.4
163.11201	0.8
163.14847	1.4
165.07010	0.5
165.16414	0.6
166.07884	0.5
167.08566	2.8
168.09354	1.0
169.10107	11.6
170.10889	0.6
171.11668	13.3
173.09720	0.5
173.11792	0.8
173.13220	6.8
175.11169	0.7
175.14752	1.9
177.12677	0.5
177.16368	1.0
179.08603	1.3
179.14407	0.7
181.10112	5.4
182.10905	1.2
183.11671	11.5
183.13237	0.7
185.11630	0.9
185.13228	10.5
186.13808	0.5
187.14784	6.1
187.16246	0.5
189.12785	0.5
189.16357	2.2
191.17978	1.2
193.10162	1.3
193.19536	0.4
194.10829	0.4
195.11671	5.2
196.12354	0.6
197.13217	8.0
199.13135	0.6
199.14793	7.6
201.16353	3.6
203.14255	0.5
203.17946	1.0
207.11708	1.6
208.12538	0.9
209.13242	4.2
211.14766	4.9
213.12778	0.4
213.16359	5.4
215.14444	0.5
215.17912	3.7
217.16002	0.4
217.19499	0.6
219.11765	0.5
221.13297	1.9
223.14771	2.8
225.12767	0.7
225.16333	5.9
225.18233	0.6
227.18068	4.3
229.15935	0.5
229.19473	3.2
231.21074	0.6
233.13217	0.6
235.14781	1.6
237.16277	2.4
239.14339	0.5
239.17947	3.7
239.94649	0.4
241.15886	0.6
241.19621	2.8
243.21091	1.7
245.18945	0.5
249.16373	1.5
251.17961	2.0
253.19600	2.4
255.21107	1.6
257.19061	0.9
257.22681	0.7
259.20670	0.5
261.21988	0.8
263.17877	1.0
265.19540	1.4
267.21130	1.3
269.18890	0.5
269.22757	0.9
271.24008	0.6
273.22269	0.4
275.20251	0.8
277.21774	0.9
281.19388	0.6
281.22644	1.5
283.20685	0.9
283.24255	1.1
285.22174	0.6
291.20862	0.6
293.22522	0.7
295.24063	0.6
297.22177	0.6
297.25821	0.7
299.20258	0.7
299.23691	0.7
301.21722	0.7
309.22202	0.8
309.25684	0.8
311.23663	1.1
311.27148	0.7
313.21609	0.6
315.23318	0.6
321.25781	0.6
325.21790	0.7
325.25345	1.6
327.23123	0.8
327.26727	0.7
329.24860	0.5
337.25180	0.9
339.23169	0.6
339.26926	1.1
341.28555	0.5
349.25278	0.5
353.24771	0.9
353.28506	1.2
355.26199	0.9
367.30017	1.2
379.30002	0.7
381.27570	0.6
381.31726	1.3
391.29834	0.5
393.31766	0.8
395.33231	1.2
405.31558	0.7
407.28397	0.8
407.33182	1.3
409.30896	0.5
411.32480	0.6
421.30347	0.6
423.32166	0.4
431.33221	0.6
433.34500	0.7
435.32339	0.7
437.34332	0.6
439.36108	0.7
449.34018	1.3
451.35446	1.0
463.35623	0.6
467.36584	0.6
473.41229	0.5
501.40930	2.9
517.40186	0.5
519.41925	13.0
523.37683	0.7
537.42993	8.9
541.38867	1.2
557.43573	1.1
575.44641	2.3
583.44220	0.4
593.45551	17.2
611.46661	100.0
612.46997	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01852	1.9
55.05508	14.7
57.03428	6.2
57.07073	3.8
65.03937	1.9
65.49285	0.7
67.05500	46.8
69.03413	0.6
69.07066	18.9
70.57246	2.2
71.04980	2.1
71.08620	2.7
77.03915	0.7
78.70176	0.6
79.05489	31.5
81.03416	1.4
81.07049	44.2
83.04967	2.2
83.08618	8.9
85.06537	2.2
85.10186	1.0
89.06033	1.5
91.05470	28.5
92.05784	0.7
93.07036	33.3
95.04958	4.3
95.08601	35.1
97.06526	2.7
97.10163	5.1
99.08067	1.6
100.92429	0.7
103.05440	1.2
105.04523	0.7
105.07024	31.6
106.07336	0.8
107.04924	1.3
107.08584	21.3
109.06509	2.2
109.10149	15.3
111.08099	1.6
113.09652	1.1
115.05480	1.0
117.06236	0.5
117.07009	11.9
117.07765	1.1
119.08573	30.5
121.10135	17.0
123.08023	1.0
123.11725	3.9
125.09593	0.8
128.06226	2.1
129.07004	9.2
130.07825	1.6
131.08553	23.7
133.08623	0.8
133.10117	19.9
133.80739	0.6
135.08015	1.1
135.11690	10.2
137.09598	0.7
137.13240	1.2
141.06989	3.2
142.07872	0.9
143.08556	14.4
144.09331	1.9
145.10118	23.1
146.10486	0.7
147.11674	17.4
149.09627	1.5
149.13264	7.5
151.11169	1.1
151.14774	0.9
155.08542	6.0
156.09256	0.9
157.10117	14.0
159.11682	16.7
161.09578	0.7
161.13243	11.3
163.11111	0.9
163.14822	2.8
167.08597	2.3
169.10100	7.7
170.10866	0.9
171.11699	12.9
173.13249	12.0
175.14815	6.8
177.16402	1.6
179.14273	0.9
179.34503	0.7
181.10130	2.2
183.11642	7.8
184.12085	0.9
185.13249	10.7
186.13744	0.7
187.14766	6.7
189.12741	1.2
189.16402	1.8
195.11766	3.4
197.13217	6.4
198.13864	0.7
199.14777	7.7
201.16393	4.4
207.11758	1.1
209.13303	2.6
211.14832	4.5
213.16409	5.1
215.17924	2.6
217.10437	0.6
217.19489	0.7
221.13315	0.9
223.14824	1.5
225.16411	1.9
227.17984	2.3
229.19537	1.9
231.21112	2.3
233.64638	0.6
237.16409	0.9
239.17879	2.9
241.19588	7.8
243.17432	0.7
243.21062	2.6
249.16382	0.8
251.18062	0.8
253.19624	0.9
255.21210	1.2
257.18994	2.9
259.20572	14.8
261.22195	3.4
265.19693	1.1
267.21103	1.0
271.20599	0.8
273.22177	0.7
275.20029	1.0
277.21698	1.5
283.20547	1.1
285.18930	0.9
285.22086	1.1
287.23630	0.9
293.22580	0.6
297.22208	1.5
299.23907	0.8
303.23547	0.7
305.21683	0.8
311.23672	1.0
313.21939	0.7
315.23346	1.1
325.25308	1.2
331.22748	1.1
333.24167	7.6
335.25793	11.6
336.27536	0.6
337.24945	0.7
339.26874	2.0
341.28528	0.7
353.24591	0.8
353.28476	1.8
365.28513	1.0
367.30005	1.0
381.32025	0.9
389.28482	0.8
395.33389	1.0
419.32974	0.9
431.32358	0.8
489.35660	0.9
501.35049	1.0
519.41998	5.2
523.37988	1.1
529.38983	1.3
537.43005	4.5
541.38989	1.7
593.45776	7.3
611.46637	100.0
612.46759	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59726	0.5
51.02361	0.5
53.03933	2.0
55.01859	1.5
55.05513	13.1
57.03435	4.1
57.07077	3.6
58.33670	0.6
60.12286	0.6
65.03939	1.1
67.05505	23.9
67.98717	0.5
69.07070	12.6
71.04981	1.3
71.08639	3.1
79.05492	17.3
81.03392	0.8
81.07054	23.9
83.04979	0.9
83.08611	5.6
83.37469	0.6
85.06543	1.8
91.05470	14.6
93.07042	20.0
95.04963	2.5
95.07993	1.1
95.08605	22.0
97.06546	1.9
97.10172	3.3
98.20749	1.5
99.08102	1.9
105.07030	14.9
107.08589	11.3
109.10151	8.3
111.08064	1.5
111.11691	0.7
115.05502	1.2
116.06200	0.7
117.07021	9.3
119.08579	14.4
121.10137	8.6
123.08064	0.9
123.11707	2.1
125.09634	1.0
128.06241	2.0
129.06999	9.0
131.08571	14.7
133.10130	10.3
135.11682	6.3
137.09596	0.8
137.13228	1.2
141.07004	3.0
142.07813	1.7
142.37718	0.6
143.08568	11.0
144.09389	0.7
145.10114	13.3
147.08060	0.7
147.11696	6.1
149.09634	0.8
149.13277	2.1
155.08540	9.0
156.09219	0.8
157.10130	11.0
159.08005	0.6
159.11690	11.5
159.12903	1.0
161.13226	3.7
163.11157	1.0
163.14847	1.6
165.07056	0.7
167.08575	2.5
168.09314	0.6
169.10120	8.7
170.10928	0.6
171.11668	8.9
173.13269	7.7
175.14803	3.0
177.16357	1.3
179.14328	2.6
181.10101	3.4
182.10793	0.6
183.11690	6.0
185.13234	7.2
187.14792	4.2
189.16327	1.1
191.17929	0.8
193.10136	1.2
195.11694	3.7
197.13277	5.1
199.13216	1.1
199.14857	4.7
201.16422	2.8
203.17931	0.9
205.19577	1.2
207.11780	1.0
209.13252	3.0
211.14885	4.1
213.16391	3.9
215.18028	2.0
217.19641	0.7
221.13306	1.0
223.14838	2.4
225.16386	3.0
227.18073	3.1
229.19547	2.1
235.14890	1.1
237.16405	1.7
239.17996	2.1
241.19696	1.6
243.21147	1.0
251.18086	1.3
253.19553	1.6
255.21114	1.4
257.18964	0.8
257.22705	0.7
259.20703	0.8
261.22110	1.2
267.21121	1.7
269.22717	1.2
271.20645	0.7
275.20108	1.5
277.21722	1.6
281.22653	1.1
283.20422	0.9
285.18649	0.8
295.23993	0.8
297.22083	1.3
299.23816	0.7
311.23483	1.0
323.23718	0.8
325.21881	0.7
325.25369	1.2
339.26944	1.1
341.24487	0.8
341.28259	0.7
351.26434	0.7
353.24710	0.7
353.28552	2.2
355.26175	1.0
366.07187	0.7
367.30051	1.2
393.27698	0.7
409.81055	0.7
431.32861	1.1
437.34344	0.7
449.33929	1.2
463.36142	0.6
499.34000	1.0
501.40894	2.0
519.42010	9.4
527.37244	0.8
529.38367	0.7
537.43323	4.5
541.38831	1.4
567.43597	0.7
575.44922	1.3
593.45685	9.1
611.46692	100.0
612.47015	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
53.03942	3.6
53.04357	0.9
54.39158	0.9
55.01866	2.1
55.05241	1.1
55.05511	20.3
55.92553	0.9
57.03438	5.8
57.07071	2.7
58.56845	0.9
65.03935	2.7
67.05505	49.6
69.03413	0.8
69.07068	19.4
69.37828	4.5
69.38248	3.3
70.77760	0.8
71.05002	1.8
71.08625	1.5
73.77757	0.7
79.05489	40.0
81.03442	1.2
81.07054	52.4
82.54550	1.0
83.04978	2.1
83.08611	9.9
84.10308	0.9
85.06529	2.2
91.05477	37.9
93.07042	39.8
94.28578	0.9
95.04965	4.8
95.08607	35.5
97.06541	3.3
97.10158	3.3
105.04530	2.0
105.07034	35.7
107.08587	21.5
109.06494	1.5
109.10157	16.7
111.08075	1.2
114.56393	0.8
115.05481	1.8
116.06219	1.0
117.07014	13.7
119.08582	30.7
121.09328	1.6
121.10149	18.1
123.08064	1.8
123.11733	4.5
125.09589	1.2
128.06242	1.7
129.06995	12.2
130.07770	1.4
131.08569	24.8
133.10135	21.9
135.11688	10.9
137.09662	1.2
137.13222	2.0
139.11220	1.2
141.06996	3.2
142.07825	3.4
143.08554	13.7
144.09340	1.8
145.10117	24.5
145.11163	1.6
147.11687	18.1
149.09610	1.0
149.13257	6.9
155.08553	5.6
156.09358	1.6
157.10136	11.8
159.11694	16.5
161.13261	13.5
163.11205	1.5
163.14865	2.3
167.08617	3.1
168.09283	1.0
169.10117	7.5
171.11700	12.2
173.13281	12.9
175.14774	6.7
177.12816	1.3
180.55048	1.0
180.86705	0.9
181.10211	2.5
183.11676	7.6
185.13249	11.8
187.14780	7.1
189.16351	1.9
195.11728	2.8
197.13251	5.2
199.14824	5.5
201.16431	3.4
203.14279	1.1
209.13222	2.1
211.14867	3.6
213.16417	4.9
215.18039	1.4
223.14836	1.5
225.16383	2.1
227.18088	1.7
229.19469	1.7
231.21111	2.2
233.22591	1.0
239.18015	2.7
241.19611	8.6
243.17322	1.0
243.21216	1.5
245.18999	1.1
251.18109	1.1
253.19699	1.0
257.19034	3.9
259.20599	14.7
259.23148	1.5
261.22208	3.0
269.22498	1.1
271.20383	0.9
275.20108	2.5
297.22083	1.3
311.23947	1.0
315.23114	2.3
325.25250	1.3
333.24231	11.2
335.25797	18.7
337.27921	1.0
341.24872	1.0
343.25833	0.9
351.26373	1.5
367.29910	1.7
393.31830	1.3
449.34164	1.1
475.33890	1.3
501.35086	1.2
501.41595	1.6
515.37781	1.1
519.42072	6.6
529.39075	1.3
537.43042	4.3
541.39063	1.6
542.39520	1.3
593.45416	6.8
611.46698	100.0
612.47479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
52.31276	0.2
55.01880	1.2
57.03440	2.2
59.04963	0.2
61.02911	0.8
67.05488	0.2
69.03428	2.4
70.16290	1.0
71.01339	0.7
72.07328	0.2
73.02901	2.1
81.03403	0.8
85.02903	4.8
87.04449	0.5
93.03386	0.3
95.04946	0.4
95.08624	0.3
97.02903	1.8
98.20744	0.3
103.03951	0.4
106.82176	0.2
109.02868	1.0
111.90289	0.2
113.34230	0.3
115.03907	1.0
116.70486	0.2
119.04946	0.2
121.02833	0.4
123.04426	0.8
124.01578	0.3
125.02331	0.7
127.03891	1.3
133.04971	1.1
137.02330	2.2
137.06021	0.3
145.02885	0.3
145.04951	0.7
147.04398	0.6
149.02344	0.4
151.03897	0.8
153.73512	0.3
156.31577	0.2
163.03873	0.8
167.03407	3.5
179.03375	1.4
180.04166	0.4
181.05017	0.3
184.05095	0.2
184.32286	0.2
187.07526	0.3
197.04445	0.9
209.04387	0.3
215.07022	1.2
228.04134	0.3
240.60477	0.2
241.90987	0.2
243.06490	3.2
261.07510	0.5
271.06027	1.8
273.03940	0.4
274.04697	2.2
287.05710	0.3
288.06192	0.6
299.05441	0.8
302.04291	2.1
316.05655	0.5
317.06543	100.0
318.06857	3.4
359.07675	0.6
373.86536	0.2
449.10526	0.3
479.11835	15.3
480.11923	0.7
540.60480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Isorhamnetin 3-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01861	1.0
57.03435	1.9
61.02924	1.8
67.01845	0.3
69.03425	3.5
70.06580	1.2
70.64123	0.8
71.01345	0.6
71.04974	0.3
71.06920	0.3
73.02912	8.8
79.05476	0.4
81.03419	1.4
81.07054	0.6
83.04972	0.3
85.02901	6.5
87.04465	0.6
91.05455	0.4
93.07018	0.4
95.04935	0.6
97.02885	4.7
97.06517	0.3
99.04446	0.6
103.03912	0.3
107.04918	0.2
107.08577	0.3
109.02872	1.1
109.10139	0.4
111.04420	0.3
115.03903	2.3
115.05490	0.2
119.04929	0.4
120.98084	0.2
121.02850	1.1
121.10172	0.3
123.04413	1.2
125.02303	0.4
127.03905	2.1
131.04915	0.3
133.04944	1.6
135.04401	0.3
137.02347	1.8
137.05951	0.4
137.09518	0.2
139.03894	0.4
145.02805	0.5
145.04933	1.6
147.04422	0.7
151.03906	1.0
153.01799	0.3
163.03906	1.3
163.06071	0.3
167.03398	2.9
173.06000	0.4
175.03938	0.5
177.05431	0.5
179.03394	2.5
183.93979	0.3
187.07483	0.2
189.05507	0.3
191.57718	0.3
197.04524	0.8
207.06490	0.5
209.04411	0.4
213.05298	0.4
215.03217	0.3
215.07118	1.2
215.08975	0.3
229.04916	0.3
243.06566	2.8
243.13364	0.3
257.04483	0.3
261.07529	0.6
263.12271	0.3
269.08182	0.2
271.05963	2.0
274.04660	2.3
287.05597	0.7
288.06372	0.5
297.03949	0.8
299.05515	0.7
302.04190	2.5
303.13174	0.3
317.06531	100.0
318.06927	1.3
431.15802	0.4
448.15930	1.1
449.09796	0.5
449.16248	4.0
611.21722	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03926	0.3
55.01855	0.3
56.60593	0.2
57.03435	1.9
61.02908	0.6
65.03920	0.2
68.95228	0.2
68.99796	0.5
69.03419	1.0
70.63470	0.4
70.63848	0.3
71.04986	12.3
72.21287	0.2
73.02908	0.5
75.04460	0.6
81.03400	0.8
82.37228	0.2
83.04958	0.7
85.02898	15.8
87.04433	0.4
91.05469	0.2
93.03381	0.2
95.05034	0.2
97.02884	1.4
98.04022	0.2
99.04421	0.3
104.74090	0.2
107.04943	0.2
109.02869	0.4
111.00777	0.7
111.04411	0.4
116.33574	0.2
118.34711	0.2
121.02846	0.8
123.04398	0.2
127.03904	0.8
129.05479	3.7
129.28168	0.2
131.04872	0.2
135.04362	0.3
137.02330	2.5
145.04945	0.6
145.06534	0.2
145.10001	0.2
147.04407	0.3
147.06471	1.0
149.02339	0.3
153.01807	3.0
155.04950	0.2
159.77306	0.2
163.03870	0.6
165.01822	1.8
166.02617	0.2
173.05986	0.5
177.05576	0.2
183.02872	0.7
196.62473	0.2
201.05502	1.3
205.04813	0.2
228.04044	0.2
229.04933	3.6
247.06036	0.7
257.04440	2.3
274.04727	0.7
275.05438	0.3
285.03888	1.0
286.04544	0.2
291.29730	0.2
303.04953	100.0
304.05276	2.2
315.04971	0.3
345.06015	0.2
465.10037	0.5
523.24109	0.2
575.76605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76833	1.1
54.14827	1.3
56.96571	1.5
68.99804	6.0
69.03416	3.1
69.92651	6.3
81.03412	3.8
85.02898	2.6
95.04955	2.0
97.02863	3.4
97.13963	1.3
98.97521	1.6
107.04955	1.4
109.02858	4.3
111.00803	6.5
111.04392	2.1
116.98647	1.9
119.04877	1.5
121.02859	2.1
123.04422	14.8
127.03918	93.5
133.02815	3.0
135.04379	3.6
139.03900	100.0
147.04430	6.3
149.02245	1.6
149.05965	1.9
151.03909	28.4
153.01773	2.4
155.03320	1.3
159.04378	2.6
160.07578	3.4
161.06004	1.7
163.03897	12.9
165.05441	4.3
167.03369	6.5
169.04968	1.9
175.03934	10.3
177.05464	5.1
179.03398	30.4
181.04953	4.5
187.03958	1.7
189.05473	3.1
191.03403	12.0
193.04938	4.1
199.03922	3.2
201.05475	5.4
203.03392	15.0
205.04886	1.9
213.05435	5.8
217.05104	2.6
229.04967	5.0
231.06500	3.3
233.04460	6.3
241.05014	1.5
245.04474	12.8
247.05898	2.5
251.05476	1.7
257.04462	13.9
259.05972	3.4
263.05511	16.4
269.04398	3.6
271.06039	3.5
275.05469	20.1
287.05493	37.3
289.06952	3.3
299.05515	17.3
305.06482	6.3
307.08176	9.3
317.06583	19.0
389.80295	1.4
407.07675	2.9
425.08621	24.0
443.09857	11.6
449.08575	1.6
500.46545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
57.03416	0.5
61.02901	0.5
67.05473	0.5
68.80564	0.2
68.89451	0.2
69.03422	2.4
69.84119	1.5
73.59126	0.3
77.86718	0.2
79.05481	0.3
81.03376	1.2
81.07037	0.3
85.02899	6.0
91.05441	0.7
95.04953	0.4
97.02877	1.6
99.04444	0.4
105.03388	0.4
105.07018	0.4
107.04886	0.4
109.02837	1.0
115.03897	0.3
116.56545	0.3
119.04926	1.6
120.86640	0.3
123.04425	14.6
125.05834	0.2
127.03938	1.3
135.04474	0.2
139.05435	0.4
145.04944	0.6
147.04402	4.7
151.07553	0.4
163.03879	0.3
185.05873	0.4
195.04320	0.5
197.06000	0.6
213.05458	4.3
217.12265	0.4
223.03957	0.4
227.03256	0.4
241.04936	3.5
253.05031	1.7
255.06615	0.3
269.04443	10.4
270.05124	0.9
281.04446	2.3
285.03940	3.4
293.04395	0.9
297.03922	100.0
298.04465	2.1
303.04944	0.9
309.03918	9.7
309.07526	0.5
310.04227	0.3
311.05417	2.8
313.08182	0.3
321.03952	0.6
327.04926	5.6
329.07953	0.4
339.05008	1.3
357.07397	0.4
369.73096	0.3
385.07019	0.9
413.06454	1.0
431.07706	3.0
449.08655	91.2
450.08868	1.4
611.14099	0.9
611.30096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
57.03418	0.3
60.44573	0.2
65.03928	1.0
65.31547	0.2
68.99795	0.3
69.03432	0.5
70.80077	0.6
70.80429	0.2
73.84251	0.2
81.03385	0.2
81.07082	0.2
85.02884	0.4
85.63880	0.2
87.10764	0.2
91.05479	8.3
92.11020	0.2
92.21486	0.2
97.02876	0.3
97.06558	0.2
109.02896	0.5
111.00808	0.5
119.04936	22.6
119.94137	0.2
120.05252	0.2
121.02882	0.3
123.04433	0.3
137.02361	1.4
139.33723	0.2
147.04399	100.0
148.04776	0.7
149.02371	0.2
153.01816	2.0
163.03847	0.3
165.01817	0.8
165.05431	0.3
173.06007	0.3
178.31351	0.2
185.05859	0.2
185.58923	0.2
201.05460	0.9
207.06459	0.3
215.07243	0.2
229.04926	2.2
247.06001	0.3
249.72070	0.2
257.04544	1.1
258.34613	0.2
269.08051	0.6
274.04684	0.4
285.03854	0.5
291.08713	0.3
302.30478	0.3
303.04971	39.8
304.05157	0.4
309.09689	4.8
315.05112	0.3
317.06641	1.2
345.06046	0.7
405.53760	0.3
424.08417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41812	0.3
53.03946	0.4
55.01874	0.3
65.03922	1.2
67.05475	0.7
69.03416	0.8
69.07075	0.6
71.04977	0.3
71.51586	0.3
79.05482	0.6
81.03413	1.0
81.07054	1.3
82.49799	0.3
85.02886	0.9
85.06519	0.3
88.79969	0.3
91.05469	11.5
93.07030	0.9
95.04948	0.9
95.08598	0.9
97.02854	0.5
97.06503	0.4
99.04427	0.3
99.08099	0.3
105.07021	0.7
107.04964	0.6
107.08565	0.9
109.02866	1.0
109.06551	0.3
109.10201	0.6
111.00759	0.6
111.04387	0.4
119.04932	28.6
119.08575	0.5
121.02859	0.8
121.06474	0.3
121.10137	1.2
123.04446	0.7
123.08006	0.3
123.11740	0.3
127.03903	1.0
131.08540	0.5
137.02342	2.4
137.05971	0.6
137.09639	0.5
139.03827	0.5
147.04398	100.0
148.04774	0.8
149.09648	0.4
151.03877	0.4
153.01801	3.5
161.05986	0.8
163.03893	1.0
165.01794	1.3
165.05482	0.6
167.07076	0.4
173.05959	0.4
175.03914	1.0
177.05440	0.4
181.04948	0.9
183.02914	0.5
187.03946	0.4
187.11192	0.3
201.05449	1.5
207.06474	1.6
213.05531	0.3
217.12233	0.4
229.04927	3.0
231.06631	0.3
247.05917	0.4
257.04443	2.0
274.04703	0.4
275.05286	0.4
285.03839	0.8
291.08597	1.1
303.04962	67.3
304.05270	0.7
305.24402	0.4
309.09607	1.0
315.04791	0.4
317.06659	1.5
345.06107	0.4
411.06982	0.4
421.09091	1.4
449.08765	0.6
497.66681	0.3
611.21344	0.4
611.31390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01863	6.3
55.05508	34.0
57.03435	13.1
57.07073	2.6
65.03922	3.2
67.05507	53.7
68.05831	3.5
69.03416	9.6
69.07071	32.2
71.04987	5.0
71.51564	2.6
79.05490	51.3
79.65137	2.1
80.05826	4.2
81.03419	40.2
81.07055	45.7
82.07365	3.7
83.04970	16.2
83.08614	24.4
85.02910	11.6
85.06533	4.0
91.05452	44.1
93.07035	39.0
94.07378	4.2
95.04956	25.4
95.08598	30.4
97.02896	8.1
97.06536	8.0
97.10154	14.2
98.98491	2.6
105.07035	41.0
105.87943	2.5
106.07388	2.4
107.04939	14.6
107.08591	26.1
108.13461	2.5
109.06504	9.2
109.10139	11.6
111.08064	10.9
117.07023	10.8
119.08582	27.7
121.06479	4.0
121.10168	16.5
123.08064	7.3
123.11683	2.7
125.09644	10.5
127.25507	2.3
129.06992	16.6
131.08571	20.7
132.08945	3.4
133.06514	3.0
133.10117	17.4
135.08066	5.0
135.11708	11.9
137.09557	2.3
142.07747	2.8
143.08562	8.5
145.10147	14.3
147.08047	6.8
147.11691	13.2
149.09616	8.0
149.13275	4.7
151.11143	4.5
155.08533	5.6
157.10080	12.7
158.10449	2.5
159.11702	6.3
161.09660	3.3
163.11110	11.7
165.12823	2.4
169.10158	4.4
170.10593	2.9
171.11667	4.1
173.13100	2.8
175.11171	11.6
177.12688	2.8
181.12317	2.4
182.10515	2.7
183.11714	3.6
185.13374	3.7
189.11211	5.9
193.12227	32.3
195.11760	3.1
195.13780	3.1
199.14786	3.2
211.13274	38.2
211.15042	3.9
223.13232	13.7
227.12781	22.3
249.14856	3.6
257.18896	3.7
267.15912	17.0
269.17535	7.2
273.18436	9.0
275.20081	5.4
283.15353	10.3
285.16934	39.7
291.19525	100.0
292.19861	2.8
299.06259	3.1
303.01974	2.5
345.56268	2.5
347.22101	3.5
349.23495	5.8
365.23215	26.0
463.27005	5.0
477.28247	8.1
512.38287	4.3
518.40082	3.1
557.34821	16.0
575.35870	26.7
610.36151	5.7
610.44800	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	610.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
62.74262	0.6
69.03423	2.0
69.07037	1.5
69.62857	1.9
69.63263	3.3
79.05495	1.8
81.03413	3.1
81.07053	2.1
85.02895	2.5
85.06567	1.0
91.05471	10.2
93.07035	1.4
95.08594	1.2
103.05450	0.9
103.09745	0.7
105.07029	10.9
106.49885	0.8
107.08573	2.2
109.02863	1.4
109.06503	3.4
117.07014	1.7
119.04942	14.5
119.08577	12.6
121.06553	0.7
121.10147	2.8
123.04417	1.0
123.08067	2.2
123.11693	1.1
131.08534	1.3
133.06467	0.8
133.10149	0.7
137.09616	1.0
145.10126	3.4
147.04408	16.0
147.11691	15.7
149.09578	1.7
157.03963	1.3
163.11172	0.8
163.56590	0.8
165.12758	1.5
168.40565	0.7
175.03911	33.8
177.05325	1.0
179.06984	1.3
189.12744	6.2
207.06528	100.0
207.13811	6.7
208.06931	1.7
225.07619	1.2
243.06642	1.0
270.85934	1.0
314.94064	0.8
317.06537	7.6
351.10770	4.8
355.06888	0.8
369.11743	13.0
377.71841	0.8
610.23376	13.3
611.23175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.53862	0.6
51.59221	0.6
53.03933	2.0
55.01857	0.9
55.05509	11.4
56.05788	0.6
57.03427	2.6
57.07064	1.8
65.03938	0.9
67.05502	19.8
69.03407	0.8
69.07064	9.4
71.04998	1.1
71.08626	0.6
79.05487	16.3
81.07051	19.9
83.04972	1.0
83.08606	4.7
91.05476	13.6
93.07040	16.8
95.04971	1.6
95.07992	1.0
95.08600	18.0
97.06523	1.7
97.10165	2.7
105.04548	0.8
105.07022	13.7
107.04955	0.6
107.08588	8.9
109.06540	0.8
109.10159	6.5
115.05450	0.9
117.07014	8.7
119.08575	12.9
121.10139	5.8
123.08072	1.0
123.11687	1.8
125.09634	0.9
128.06175	1.6
129.06998	7.3
131.08571	11.0
133.10138	9.8
135.11684	5.4
137.13268	0.9
141.07016	3.5
142.07797	1.7
143.08545	10.7
143.09572	0.8
145.06458	0.6
145.10120	9.5
147.11697	5.3
149.13225	2.9
153.07027	0.6
154.07730	0.6
155.08559	8.1
156.09293	1.1
157.10118	9.7
159.11684	9.0
161.13240	3.9
163.11166	1.1
163.14835	0.7
166.07695	0.7
167.08611	3.3
168.09375	0.7
169.10124	9.4
170.10849	1.0
171.11667	9.3
173.13240	4.7
175.14792	2.1
177.12756	0.8
177.16393	0.6
179.08595	1.8
179.14296	1.6
181.10143	5.4
182.10844	0.9
183.11693	9.7
185.13274	7.6
187.14740	2.9
189.16345	0.9
193.10210	1.7
195.11711	5.1
196.12430	1.0
197.13249	8.0
199.13174	0.8
199.14795	4.1
201.16382	1.5
203.17976	1.0
206.10881	0.7
207.11705	1.4
209.13251	5.7
211.14783	5.4
213.16364	2.6
215.18018	1.3
219.11844	0.9
221.13278	1.9
223.14844	3.8
225.16449	3.1
227.17949	1.9
229.19566	1.0
235.14833	1.8
237.16380	2.4
239.17995	2.6
241.19810	0.8
249.16406	0.9
251.18042	1.7
257.19003	0.8
265.19540	1.0
275.20084	3.3
277.19403	1.0
283.20520	0.7
295.20398	0.9
297.22168	0.8
301.06946	1.4
307.20544	0.6
321.22083	0.8
323.23746	1.2
327.23141	0.8
331.04672	0.6
337.25110	1.1
341.24646	0.7
349.25314	0.7
351.26767	2.1
361.25195	1.1
363.26733	0.8
365.28531	1.3
379.30161	1.1
381.27875	0.7
391.29990	1.3
393.31729	0.8
395.29742	1.0
405.31561	0.9
433.30423	0.9
443.31482	0.6
447.32480	2.0
461.33948	0.8
475.35562	0.9
483.34113	0.8
499.39505	1.3
517.40356	9.3
521.35901	1.0
535.41431	5.8
539.37256	1.5
540.38568	0.8
541.39459	0.7
573.43170	1.2
591.44055	8.8
609.45087	100.0
610.45435	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01862	2.2
55.05509	17.4
57.03432	5.1
57.07067	2.2
59.04977	0.5
59.90379	0.4
62.59192	0.5
65.03936	1.6
67.05502	28.1
69.03400	0.6
69.07063	15.9
71.04993	1.2
71.08613	0.8
76.57431	0.5
79.05489	18.2
81.07052	29.5
83.04967	1.3
83.08612	9.0
85.06544	1.6
90.96500	0.5
91.04902	1.0
91.05474	18.1
91.06025	1.1
93.07043	18.6
95.04979	2.4
95.08602	24.2
97.06544	2.4
97.10158	5.2
99.08120	0.7
105.07028	15.7
107.08583	13.8
109.06553	0.8
109.09419	0.4
109.10145	10.3
111.08072	1.3
115.05470	1.7
117.07010	9.6
118.07763	0.5
119.06065	0.4
119.08577	17.2
121.10136	7.4
123.08071	1.3
123.11732	2.4
125.09643	1.8
128.06189	3.0
129.06995	14.1
130.07793	0.5
131.08553	15.7
133.10114	11.8
133.19923	0.5
135.11713	4.9
137.09592	0.9
137.13280	1.5
139.11162	1.0
141.06967	7.1
142.07796	3.4
142.52948	0.6
143.08560	18.3
143.40788	0.5
145.06485	0.6
145.10118	14.3
147.11670	7.6
149.09650	0.6
149.13246	2.8
150.21010	0.5
153.07011	2.0
154.07784	2.4
155.08546	14.3
155.09729	0.9
156.09326	1.7
157.08801	1.0
157.10117	18.6
159.11678	11.5
161.13246	4.8
163.14835	1.3
165.07031	1.6
166.07800	0.8
167.07082	0.8
167.08548	8.9
168.09392	2.6
169.10115	20.4
170.10876	1.0
171.11685	15.0
172.12439	0.7
173.13263	7.6
175.11230	0.7
175.14838	2.4
177.12740	0.6
177.16432	0.7
179.08505	3.2
180.09271	1.2
181.10120	10.4
182.10893	1.9
183.11690	19.3
184.12265	0.9
185.11649	0.8
185.13249	10.6
187.11238	0.5
187.14815	4.6
189.16412	1.4
193.10139	4.3
194.10870	1.1
195.11693	11.1
196.12453	1.4
197.13251	14.5
198.13724	0.5
199.13161	0.5
199.14825	8.5
201.16422	2.9
203.17966	1.1
205.10130	1.0
207.11687	4.6
208.12448	1.2
209.13271	11.6
210.13956	1.0
211.11507	0.5
211.14813	10.7
213.14719	0.6
213.16443	5.1
215.14398	0.7
215.17926	1.1
219.11678	1.2
221.13266	4.2
222.13979	0.7
223.14807	8.7
223.16769	0.4
225.16364	7.2
227.18034	3.8
229.19507	1.1
233.13289	1.7
235.14801	2.9
237.16386	6.1
239.17937	5.0
241.15845	0.7
241.19841	2.7
247.14886	1.0
249.16351	3.2
251.17946	3.7
253.15723	0.8
253.19650	1.6
255.17419	0.7
257.19009	0.8
259.20663	0.7
261.16428	1.3
263.17886	2.3
265.19580	2.4
267.21127	2.0
269.18771	0.6
269.22864	0.6
275.17822	0.9
277.19562	1.5
279.21054	1.4
281.19147	0.8
283.20615	1.1
285.22083	0.9
289.19479	0.8
291.20941	0.8
295.20599	0.7
297.18903	0.6
297.21967	1.0
305.19180	0.6
305.22699	0.5
307.20453	0.9
309.22183	1.2
311.20203	0.6
311.23776	1.4
313.21820	0.8
313.25128	0.5
321.22214	1.7
323.23730	1.7
327.23227	0.7
333.22070	0.6
335.23572	1.7
337.25323	1.6
339.23187	0.5
341.24759	0.7
349.25287	1.9
351.23050	0.8
351.26849	1.8
353.24664	1.2
355.26373	0.6
363.26733	1.6
365.24506	1.1
365.28552	1.9
367.26459	0.7
377.28201	1.1
379.25986	1.0
379.30109	1.4
381.27725	1.1
391.30112	1.1
393.31641	1.2
395.29510	0.8
401.27875	0.5
403.29892	0.9
405.31754	0.6
407.29239	0.9
409.30988	0.7
415.29898	0.6
421.30942	1.0
423.32712	1.0
429.31619	0.7
431.33252	0.8
433.30624	0.6
435.32788	1.1
447.32535	1.6
449.34103	0.6
461.34183	1.1
475.35938	0.9
497.36804	0.9
499.39606	2.2
503.35541	0.7
513.36267	0.8
517.40350	13.7
518.40607	0.7
521.35986	0.8
525.35944	0.9
535.41504	7.9
537.40204	0.6
539.37140	1.6
553.42603	1.5
555.41516	0.9
573.42957	2.0
581.42255	0.7
591.44000	18.0
592.44519	0.7
609.45068	100.0
610.45477	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03934	1.6
55.01867	1.4
55.05508	12.8
57.03423	3.2
57.07056	1.8
65.03925	0.7
66.50340	0.8
67.05500	19.4
69.07068	9.5
69.30798	7.0
71.04996	1.5
72.43221	0.7
79.05488	12.1
81.06596	1.2
81.07051	18.7
83.08614	5.5
85.06532	1.2
91.05468	11.2
93.07047	13.7
95.04947	1.2
95.08604	17.8
97.06488	1.2
97.10165	2.7
105.07020	11.0
107.08589	9.3
107.66448	0.6
109.10162	6.4
111.08090	1.0
115.05445	1.2
117.07011	6.6
119.08582	11.7
121.10145	6.1
123.11702	2.2
128.06226	2.2
129.06995	10.3
131.08543	9.6
133.10138	9.0
135.11699	4.8
136.88124	0.7
137.09671	0.8
137.13327	0.7
141.06973	4.2
142.07758	2.3
143.08542	11.2
145.10118	10.6
147.11676	5.2
149.13257	1.9
153.07027	1.5
154.07796	1.2
155.08537	9.8
157.10124	11.2
159.11690	7.0
161.13258	2.5
165.07007	1.1
166.07721	1.0
167.08545	5.0
168.09370	1.1
169.10129	12.0
170.10948	0.8
171.11671	9.7
173.13219	5.0
175.14786	1.7
179.08611	1.7
181.10095	6.7
182.10800	1.1
183.11682	11.9
185.13223	7.7
187.14838	2.2
189.16307	1.0
193.10143	3.2
194.10884	1.0
195.11696	8.9
195.13425	0.9
196.12407	1.0
197.13251	8.3
199.14801	4.7
201.16367	1.8
203.17960	1.0
207.11717	2.8
209.13240	8.3
211.14825	5.3
213.16444	3.3
219.11703	0.8
221.13286	2.4
223.14856	5.0
225.16283	4.3
227.17992	2.6
233.13429	0.9
235.14832	2.8
237.16336	3.9
239.18054	3.1
241.19731	1.1
247.14708	1.2
249.16466	1.2
251.17952	1.8
253.19644	1.5
253.30272	0.7
263.17899	0.9
265.19547	1.2
279.21179	0.7
281.18539	0.9
283.20584	1.0
291.21201	0.9
309.22037	0.9
311.23853	0.9
313.21481	1.1
321.22263	0.7
323.23459	1.5
325.21634	0.8
335.23746	1.1
337.25311	2.3
339.23303	1.1
341.24838	0.9
349.25348	1.0
351.26886	2.0
363.26743	0.9
365.28360	1.0
367.26254	0.9
376.66452	0.8
377.28659	1.1
391.30124	1.2
407.29144	1.1
429.31171	1.4
435.32742	1.2
447.32404	2.1
471.32004	0.8
475.35480	1.0
481.32751	0.8
499.39407	2.4
517.40558	13.0
533.39996	1.0
535.41510	6.2
539.37701	1.2
555.43054	0.8
573.42938	2.4
591.43982	12.3
609.45093	100.0
610.45361	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01869	10.1
55.05282	1.6
55.05510	25.0
57.03432	3.7
57.07064	4.0
65.03924	5.3
67.05499	72.8
69.03417	2.2
69.07065	42.1
69.25202	17.0
71.04980	3.9
79.05489	67.4
81.03410	11.9
81.07048	82.2
83.04976	9.0
83.08616	9.9
85.06549	3.4
91.05470	75.1
93.07035	74.1
93.07643	2.8
95.01334	15.2
95.04967	17.9
95.08604	51.0
95.99900	1.5
97.06521	18.9
97.10150	4.1
99.08106	2.7
103.05442	2.2
105.04534	2.2
105.07025	81.7
107.04948	19.9
107.08581	32.8
109.06487	5.4
109.10154	14.2
111.04434	2.4
111.08074	3.8
115.05448	2.0
116.06157	1.8
117.07009	20.6
119.08565	49.9
121.06490	3.7
121.10138	18.5
121.78124	1.6
123.04390	1.8
123.08069	5.2
123.11742	2.4
123.73260	1.7
129.06978	5.3
130.07671	1.6
131.08543	30.3
133.10118	51.9
135.08002	2.9
135.11697	11.5
137.09578	4.4
139.07532	2.8
141.06956	3.5
143.08556	4.9
145.06491	2.0
145.10109	26.6
147.11676	21.4
149.09621	8.3
149.13280	7.7
151.11212	2.4
155.08562	2.3
157.10149	5.4
159.11678	15.7
161.09587	1.8
161.13266	7.3
163.11237	4.1
169.10170	3.0
171.11705	7.4
173.13304	7.8
175.11172	2.1
175.14854	3.6
177.12807	3.5
179.14307	24.6
183.11638	4.2
185.13217	3.2
187.11180	3.8
187.14772	1.9
197.13322	3.3
205.12192	2.1
219.17415	13.1
239.17923	2.2
247.20737	2.5
257.19006	8.3
275.20026	100.0
276.20361	2.1
277.21283	1.9
293.21140	4.8
335.25677	1.8
349.23813	2.8
465.30734	1.7
479.54453	1.7
609.45044	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03941	9.0
53.70929	1.1
55.01861	5.8
55.05512	25.1
57.03439	15.9
57.07064	1.7
61.02909	1.4
65.03933	2.4
67.05505	57.9
67.73479	0.9
69.03084	1.8
69.03426	17.0
69.07066	16.4
71.01348	3.6
71.04997	10.2
71.51887	2.0
71.52261	1.1
73.02927	1.1
75.60832	1.0
77.03902	1.3
79.05019	1.4
79.05494	52.4
81.03416	100.0
81.07054	41.7
83.04981	26.2
83.08617	17.3
85.02908	17.5
85.06532	4.9
88.98310	1.1
90.44722	1.0
91.05473	40.4
93.03399	1.3
93.07043	50.7
95.04962	26.8
95.08604	17.3
97.02882	18.8
97.03458	1.8
97.06526	12.1
97.10173	10.7
99.04478	8.6
99.05019	1.2
99.08102	3.6
100.08524	1.2
103.05470	1.9
105.04554	1.7
105.07027	23.8
107.04970	12.1
107.08591	31.2
109.02878	18.4
109.06531	7.9
109.10163	12.5
110.61990	1.1
111.04449	17.9
111.08084	10.3
111.33485	1.1
113.05981	1.7
115.05441	2.7
117.06992	8.1
119.04997	1.9
119.08578	21.1
119.42862	1.0
121.02847	1.4
121.05787	1.0
121.06483	6.3
121.10131	14.7
123.04462	2.6
123.08075	3.1
123.11740	4.0
125.09621	6.0
127.03911	11.7
128.06210	2.1
129.05501	2.6
129.07011	10.5
130.07777	1.4
131.04945	1.2
131.08562	11.6
133.06476	5.7
133.10109	13.3
135.08064	5.3
135.11697	32.8
137.06001	2.9
137.09612	4.4
139.03857	1.9
141.06996	1.8
142.07753	1.8
143.08563	4.8
145.06499	3.5
145.10123	10.3
147.08057	3.8
147.11681	11.6
149.05933	1.5
149.09592	5.8
149.13261	1.4
151.11188	2.2
153.09215	1.2
153.12761	4.8
155.08618	1.6
157.10136	9.2
159.08109	1.7
159.11726	3.2
161.06038	1.6
161.09624	2.4
163.11200	11.6
165.05594	1.3
165.12825	3.2
167.08458	1.1
169.10149	2.0
171.11705	1.5
173.04514	1.8
173.06007	1.5
173.09639	1.4
175.11189	10.4
177.05487	1.3
177.12801	2.1
181.06537	1.3
181.12222	14.3
183.06519	2.0
183.11697	1.4
187.11290	1.4
189.11270	1.9
189.12833	1.8
191.10736	5.1
193.10463	2.1
193.12238	31.3
199.11440	1.5
199.13283	2.5
201.13057	1.3
203.14467	1.4
209.11661	2.0
211.13286	52.9
227.12714	7.2
229.14410	1.3
231.13965	1.3
235.13362	1.9
243.13802	1.4
246.72050	1.1
247.13469	1.8
249.14967	1.9
253.14380	2.0
255.13606	2.0
255.15903	12.0
261.14850	1.7
265.14270	1.5
267.15918	5.3
273.15070	1.9
283.15469	2.9
285.17075	3.3
289.14316	1.8
301.14352	1.4
319.15683	1.4
325.16534	4.7
337.16608	2.9
355.17554	8.7
355.22754	3.4
365.19659	1.6
373.23956	2.6
381.19089	4.7
384.50522	1.1
393.19315	1.7
411.20313	3.8
421.25751	2.1
429.26505	3.4
447.27338	15.4
465.28528	15.4
481.28177	2.2
531.30463	1.5
555.29620	1.6
565.26361	1.9
573.30719	3.3
591.31451	6.1
609.32715	90.3
610.32971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01858	0.7
55.05506	3.3
55.52703	0.5
57.03425	0.7
67.05499	7.2
67.89479	0.5
69.07063	3.2
69.34748	1.8
69.35162	3.1
76.51329	0.5
79.05486	8.6
81.03436	0.7
81.07058	7.6
83.08614	1.2
87.33949	0.5
91.05479	6.6
93.07043	6.6
95.04971	1.3
95.08607	4.9
97.06541	1.3
97.10158	0.7
105.07024	6.3
107.04964	0.9
107.08589	5.0
109.10133	2.5
117.07014	2.7
119.08561	4.7
121.06512	0.5
121.10130	2.0
125.09583	0.6
128.06256	0.7
129.06967	1.6
131.08536	4.2
133.10165	3.4
135.11693	1.7
141.07045	0.7
143.08574	2.5
145.10112	5.2
147.11688	1.8
149.09578	1.3
149.13252	1.1
157.10107	1.0
159.11682	2.4
161.13292	0.9
163.11192	0.7
169.10017	1.2
171.11728	1.2
173.13306	1.7
179.14397	1.5
181.10216	0.6
183.11720	1.2
185.13260	0.6
195.11761	0.6
197.13255	1.0
213.16632	0.6
224.13072	0.7
235.71967	0.5
239.17813	0.9
257.18982	2.7
275.20050	5.3
291.36246	0.5
331.22760	1.2
335.25864	1.5
376.16727	0.6
377.17618	1.3
389.18231	0.7
391.19028	2.1
392.19974	1.0
393.20648	0.7
401.17407	1.2
403.20102	1.2
404.20401	1.3
405.20932	3.3
406.21695	1.5
407.22147	3.5
413.17807	0.7
414.18555	0.9
415.19342	1.6
417.21365	0.7
419.18222	1.3
419.23239	0.9
421.23892	4.3
422.24670	0.7
427.18988	1.2
428.20038	0.9
429.20813	2.5
430.22223	1.5
431.22809	1.2
433.20135	1.1
433.24872	1.1
434.20947	0.8
442.21408	0.9
443.22293	1.2
444.23239	1.5
446.21188	0.7
447.18100	2.3
449.22168	0.6
457.23959	2.3
459.21747	2.7
460.22791	1.1
461.19104	5.4
462.20456	2.9
463.21350	1.6
471.89801	0.6
472.22641	0.9
474.20425	1.1
475.20908	7.2
476.21725	6.2
477.22437	4.5
485.18268	0.6
485.23563	8.6
486.19724	2.5
487.25394	0.8
488.21970	0.8
489.22821	5.9
493.21835	0.7
497.23557	1.0
499.21399	2.3
500.21887	1.1
502.23849	0.9
503.24551	4.9
504.21915	0.5
504.25467	0.6
505.00851	0.6
513.22888	1.0
515.24463	7.9
518.23376	0.7
521.26306	2.5
531.23932	15.6
532.24255	0.9
535.41510	1.0
549.24860	2.3
550.25623	3.8
559.23523	5.9
577.24200	1.5
591.26019	32.9
592.26636	0.7
609.27032	100.0
609.43713	13.9
610.27527	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03924	0.5
55.01860	0.4
55.05500	2.4
57.03426	0.6
62.49287	0.5
67.05504	4.7
69.03443	0.4
69.07067	2.0
69.40232	0.4
70.96111	0.8
70.96463	0.9
71.08634	0.6
79.05489	4.1
81.07056	4.0
83.08607	1.2
86.24634	0.4
91.05480	3.3
93.07037	3.5
95.04955	1.0
95.08626	2.3
97.06535	1.2
105.07004	3.2
107.04942	0.6
107.08597	2.0
109.10156	0.9
117.07007	1.3
119.08566	3.0
121.10178	1.0
129.06987	0.9
131.08598	1.9
133.10129	1.1
135.11731	1.4
141.07018	0.8
143.08577	1.2
145.10141	1.9
147.11736	0.9
154.30536	0.4
155.08565	0.9
157.10133	1.0
159.11705	1.1
161.13252	0.8
168.23969	0.5
169.10109	0.8
171.11731	1.0
173.13304	0.8
179.14368	0.9
183.11719	0.6
185.13330	0.8
197.13275	0.7
211.14894	0.5
213.94536	0.5
231.21390	0.5
235.12244	0.4
237.16496	0.5
241.19525	0.7
242.63808	0.4
257.18958	0.6
275.20163	2.0
277.21671	0.6
365.12177	0.5
376.17276	0.8
377.18106	1.4
389.17807	0.8
390.18555	1.0
391.19217	1.9
392.19855	1.0
393.20731	0.8
400.16693	0.5
401.17706	0.6
402.18832	0.5
404.20599	0.9
405.20871	4.0
406.21655	2.2
407.22293	2.8
415.19098	1.7
417.16879	0.6
418.21783	0.6
419.18085	1.0
419.22705	1.6
420.23187	0.8
421.23874	3.9
422.24747	0.7
427.19003	0.7
429.20911	1.7
430.22165	0.8
431.18179	0.8
432.19489	0.9
433.20273	1.8
443.22354	1.1
444.22964	0.7
445.20743	1.3
447.18219	1.9
449.23672	0.9
457.24139	1.2
458.17426	0.5
459.21811	1.5
460.23071	1.3
461.19296	4.3
462.20227	2.2
463.21307	1.6
472.22641	1.0
473.19516	0.9
474.20346	1.3
475.21222	7.7
476.21841	5.7
477.22549	4.9
478.23392	1.0
483.18573	0.6
485.23770	4.3
486.20605	1.8
487.20139	0.5
487.25632	0.8
488.22473	1.4
489.22928	4.7
493.22064	0.5
494.26855	0.7
499.21255	3.2
500.22232	1.5
502.23401	0.6
503.19043	0.5
503.24695	6.8
504.21060	0.7
505.22290	0.7
507.23972	0.7
513.22229	0.7
515.24512	4.8
517.22546	1.8
518.23419	0.5
521.26129	2.4
531.23907	9.4
532.24237	0.7
535.23199	0.7
535.40778	0.5
541.22675	0.7
544.21057	0.6
549.24878	1.8
550.25909	3.9
559.23364	4.9
563.26715	1.1
577.24219	2.4
591.26001	15.1
591.35156	1.0
609.27051	100.0
609.44922	8.5
610.27014	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1805
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03945	1.4
55.05503	2.4
57.03430	9.1
59.05009	1.5
67.05481	1.0
69.03430	3.8
69.07062	1.9
69.31458	9.8
71.04989	40.5
73.02914	7.9
75.04485	2.1
79.05499	1.7
81.03428	1.6
81.07047	2.4
83.04982	8.2
85.02904	47.0
85.98919	0.9
87.04458	1.5
87.44350	1.0
95.04975	1.8
95.08575	1.8
96.23560	0.9
99.04459	4.3
107.04966	1.2
107.08543	2.1
109.02863	1.0
109.06553	1.0
111.04467	5.7
113.06014	1.2
117.05533	4.8
121.02811	1.3
121.10123	1.5
123.04436	1.6
127.03911	1.3
129.05479	11.9
133.10133	1.1
137.02335	5.4
147.06525	2.4
153.05453	2.4
161.09647	1.2
163.03902	1.3
163.06033	5.7
167.03365	2.3
171.06464	1.0
180.95757	0.9
214.10889	0.9
215.07069	1.6
239.09329	1.4
243.06523	3.8
271.05994	2.5
274.04776	2.5
299.05582	3.2
302.04086	1.9
316.05835	2.5
317.06546	100.0
317.86905	1.1
329.06564	8.8
355.08127	4.9
359.07635	18.9
365.10251	1.5
381.09509	2.4
383.07532	5.7
409.09372	6.9
427.10272	15.8
445.11249	5.8
462.99448	1.1
463.12381	10.7
481.33762	1.0
506.93823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01873	2.0
55.05503	5.4
56.05038	2.5
60.04519	1.3
67.05186	1.2
67.05506	16.9
69.03436	6.0
69.07059	3.9
69.47902	8.9
71.04980	4.0
79.05492	15.6
80.05009	3.3
81.03429	6.2
81.05780	1.6
81.07053	16.8
82.06573	4.8
83.08607	4.6
85.02880	3.0
85.06541	2.8
87.04465	2.6
89.81541	1.2
91.05482	8.1
93.07045	26.7
94.06567	17.8
95.04964	4.6
95.07994	1.6
95.08604	30.7
96.08124	3.1
97.02871	1.3
97.06539	7.9
97.10149	1.9
105.07022	12.7
107.07326	3.7
107.88891	1.1
109.02859	1.1
109.10165	3.4
110.09682	10.1
111.08089	13.1
111.11742	1.4
119.08601	1.6
122.09672	37.9
123.07210	2.2
123.08069	31.9
123.11677	2.0
127.03915	1.0
128.10715	30.6
135.11687	1.5
140.10704	100.0
141.09090	17.6
158.11763	8.0
163.03928	2.7
207.06532	1.1
211.13281	1.3
225.22081	2.1
253.21463	1.1
270.05270	2.4
270.24298	8.1
283.82666	1.2
285.07556	4.7
374.30872	1.2
380.31592	9.7
392.31512	12.0
410.32648	71.5
411.32864	1.7
428.33701	41.2
609.32770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30671	2.9
53.03939	7.8
55.01864	11.7
55.05510	50.9
57.03434	6.1
57.07073	46.3
57.55252	2.9
62.51325	2.8
65.03925	4.1
66.71068	3.4
67.05504	87.0
69.03442	3.7
69.07064	47.0
71.04995	7.8
71.08625	42.6
71.51357	3.1
71.51830	3.3
79.05489	54.0
80.89778	3.2
81.03413	9.5
81.06599	5.7
81.07056	94.4
83.04973	9.9
83.08620	29.3
85.02892	3.3
85.06538	8.6
85.10174	15.4
88.77706	3.1
91.05473	49.0
93.07042	52.1
95.04947	11.5
95.08608	73.8
97.06524	13.2
97.10168	15.7
97.70606	2.9
99.08067	14.9
101.76137	3.1
105.07037	50.2
107.04964	8.6
107.08607	24.3
109.06473	4.6
109.10160	33.0
111.08046	9.4
111.11688	3.3
113.09631	3.9
116.83426	2.7
117.07007	13.4
119.08588	42.3
121.10133	24.2
123.08050	5.0
123.11695	12.6
125.09608	6.3
128.06183	5.5
129.07013	17.7
131.08574	20.6
133.10121	29.1
135.08084	5.5
135.11658	16.2
137.09618	4.7
137.13260	6.2
139.11150	3.4
141.06946	6.3
142.07771	3.6
143.08522	20.2
145.10107	24.2
147.08063	3.5
147.11682	27.5
149.13255	13.1
151.11177	16.6
153.06996	4.6
154.07779	4.0
155.08586	17.1
157.10146	17.1
159.11700	16.3
161.13220	16.5
163.11169	7.0
165.07011	3.3
165.12759	8.4
167.08577	8.3
167.96664	3.1
169.10133	15.8
171.11717	14.0
172.14259	3.5
173.13275	6.5
175.11183	5.9
175.14787	3.9
179.08563	5.5
179.14322	10.0
181.10086	11.9
183.11700	13.5
185.13266	9.2
187.14857	5.8
189.11192	6.1
193.10190	3.7
193.11938	3.2
195.11661	10.8
195.13646	3.2
197.13263	9.6
199.14864	7.3
207.11690	7.9
209.13310	8.5
211.14819	6.4
213.16341	4.6
221.13235	6.7
223.14789	7.2
225.16417	4.4
227.12669	4.2
235.14758	5.0
239.23669	9.8
241.19540	11.6
249.22060	5.1
259.20569	12.0
261.16272	4.3
275.20020	12.0
277.21628	61.8
295.22629	13.1
313.27377	48.0
331.22867	2.9
335.23840	3.9
349.24698	3.2
351.25281	30.1
363.23300	3.9
435.32590	4.6
467.37607	6.2
509.36542	7.8
515.38831	10.3
533.39703	10.1
589.48950	27.1
607.33704	12.1
607.42078	100.0
608.43195	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03931	2.3
55.01869	3.3
55.05511	17.9
57.03429	4.2
57.07063	3.0
57.39914	0.6
59.04983	1.5
65.03941	2.0
67.05502	37.9
69.03429	3.0
69.07067	16.5
71.04980	3.1
73.02901	3.0
79.05494	25.4
81.03415	4.9
81.07056	35.9
83.04963	2.9
83.08614	8.8
85.02898	1.7
85.06535	1.9
87.04478	0.8
89.95342	0.6
91.05481	25.3
93.07043	27.3
95.04974	4.6
95.08607	25.8
97.02888	1.5
97.06535	4.7
97.10163	4.5
98.98451	2.4
99.08080	1.1
103.05454	1.1
105.04518	1.1
105.07030	26.2
107.04948	2.5
107.08591	15.6
109.02875	1.1
109.06506	2.9
109.10159	11.1
111.04429	1.0
111.08065	2.3
115.05466	1.6
116.06214	0.5
117.07018	13.6
119.04842	0.5
119.08575	18.9
121.06509	1.5
121.10140	11.3
123.08065	1.4
123.11684	3.1
125.09619	2.4
127.03884	0.7
128.06233	3.8
129.06995	13.5
130.07791	1.5
131.08556	18.5
131.09538	1.0
133.06487	1.1
133.10136	13.5
135.08028	1.9
135.11673	6.8
137.09612	2.6
137.13283	0.9
139.11107	0.9
141.06982	7.5
142.07736	3.4
143.08557	12.1
144.09370	0.8
145.06488	1.1
145.10120	16.7
146.10448	0.7
147.04359	0.7
147.08038	1.2
147.11687	9.9
149.09624	2.6
149.13264	4.8
151.11200	1.3
153.06955	2.2
153.09033	0.8
154.07753	2.0
155.08540	12.7
156.09303	2.2
157.10115	11.7
159.08018	1.1
159.11705	13.3
161.09601	1.2
161.13232	4.1
163.11174	1.8
163.14755	1.6
165.06998	2.7
165.12761	1.1
166.07774	1.3
167.08575	8.9
168.09296	3.0
169.10126	14.5
171.08102	1.0
171.11690	10.8
173.09572	0.7
173.13275	5.8
175.14766	3.1
177.12764	1.6
178.07761	0.9
179.08549	6.0
179.14354	0.8
180.09328	2.6
181.08554	0.7
181.10117	11.5
182.10974	0.8
183.11691	12.2
184.07256	0.8
184.12498	1.1
185.09610	0.7
185.13248	7.6
187.11238	0.9
187.14874	4.4
189.16400	5.0
191.08566	1.0
191.17885	1.7
192.09296	1.5
193.10155	5.3
194.10881	1.4
195.11696	10.8
195.13548	1.0
196.12314	1.8
197.13251	9.4
198.13997	1.0
199.11189	1.0
199.13260	0.9
199.14848	5.8
201.12698	0.8
201.16385	2.4
203.14371	0.9
203.18044	1.2
205.10110	2.4
206.10938	1.2
207.11682	8.2
207.13545	0.9
207.17493	1.5
208.12450	1.6
209.13257	10.2
210.13882	1.0
211.11575	0.6
211.14832	6.3
213.16490	3.8
215.17964	1.3
217.10170	0.9
217.15794	1.4
219.11775	3.5
219.13664	0.9
221.13220	6.2
221.14915	0.6
222.14084	1.6
223.14816	6.9
224.15712	0.7
225.12904	0.8
225.16418	5.5
227.14450	0.8
227.17932	2.0
229.19591	0.7
231.17511	0.9
232.91727	0.7
233.13220	2.5
234.14128	1.1
235.14856	4.8
237.16336	5.8
239.18059	3.2
241.19725	1.3
247.14848	2.4
249.16498	3.3
251.17990	3.6
253.19429	2.3
255.17426	1.0
257.19034	2.1
259.20523	1.0
261.16367	1.6
263.18027	2.3
265.19516	2.1
267.21082	1.7
273.18564	1.6
275.17462	0.9
275.20258	4.3
277.19345	1.4
279.21021	1.8
283.20587	1.0
285.22290	0.7
289.19379	1.0
291.21106	1.0
293.22678	0.7
297.22177	1.0
307.20840	0.9
315.23508	1.2
321.22049	2.1
323.23608	1.2
325.21628	1.0
327.22894	0.7
333.21960	1.5
335.23782	1.8
337.25220	0.8
341.24731	0.8
347.23721	1.8
349.25018	2.0
353.24655	1.2
363.26859	1.9
365.24536	1.0
365.28632	1.2
375.26733	1.0
377.28543	1.4
389.28632	1.1
391.30148	0.9
403.29767	1.1
407.29324	1.5
409.30994	0.8
417.31772	0.9
421.30566	1.0
433.30814	0.7
435.32751	1.7
439.35989	1.7
445.30463	1.8
447.32739	1.1
457.36737	8.0
459.32117	1.0
463.30914	0.8
465.33380	1.1
497.37561	2.5
499.34457	0.8
509.36697	4.2
515.38885	11.7
519.34338	0.8
525.35962	1.1
527.37177	0.8
533.39990	9.0
537.35724	1.4
538.36230	1.5
551.41241	4.6
553.39502	0.7
571.41113	2.2
589.32886	1.0
589.42096	9.6
607.34326	11.6
607.43451	100.0
608.35217	1.2
608.43671	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	607.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01854	3.8
55.05510	18.8
57.03441	5.7
57.07075	2.4
65.03924	2.2
67.05502	37.7
69.03409	3.5
69.07068	17.3
71.04977	3.8
71.32529	2.1
72.47166	1.0
79.05492	29.3
80.23602	0.9
81.03425	12.5
81.07050	42.2
83.04964	5.4
83.08617	8.5
84.93266	0.9
85.02859	1.2
85.06536	2.3
91.05475	26.9
93.07042	29.1
95.04964	6.1
95.08602	26.1
97.02875	2.5
97.06518	6.3
97.10160	4.8
99.04433	1.2
99.08049	1.7
103.05459	1.6
105.04556	1.1
105.07024	23.2
106.58131	0.8
107.04951	2.7
107.08582	17.1
107.09303	1.0
109.02863	1.1
109.06514	2.4
109.10165	9.5
111.04451	1.4
111.08056	3.1
115.05430	1.4
117.07014	12.8
119.08574	17.2
121.06487	1.8
121.10143	9.0
123.08060	2.7
123.11700	4.2
125.09647	2.2
127.03951	1.4
128.06239	2.4
129.06999	11.3
131.08563	18.8
133.06532	1.7
133.10135	13.6
135.08026	1.9
135.11682	6.0
137.05913	1.1
137.13266	1.2
141.06941	7.7
142.07747	2.9
143.08551	13.7
144.09261	1.5
145.10110	14.3
147.11673	9.7
149.09641	1.9
149.13258	6.5
153.06979	3.6
154.07793	2.6
155.08531	11.9
156.09309	1.0
157.10138	14.3
159.11694	13.3
161.09669	1.1
161.13264	4.1
163.11154	1.5
163.20264	0.9
165.07005	3.4
165.12762	1.4
166.07817	2.8
167.08568	8.5
168.09377	2.2
169.10127	14.6
171.11678	8.6
173.13283	5.6
175.14856	2.3
177.12805	1.6
178.07869	1.5
179.08545	7.0
180.09338	1.4
181.10143	12.9
182.10803	1.6
183.11671	14.0
185.09583	1.0
185.13228	7.0
187.11237	0.9
187.14865	3.0
189.12720	1.2
191.08578	1.7
192.09360	1.8
193.10149	7.7
194.10957	1.5
195.11716	14.7
195.13788	4.6
196.12466	1.2
197.13239	8.8
199.14774	5.3
201.16469	2.3
205.10120	2.2
206.10762	1.1
207.11694	7.6
208.12527	1.5
209.13231	12.1
211.14825	7.0
213.14622	1.0
213.16423	3.7
215.17819	0.9
219.11684	2.9
219.17520	1.0
220.12517	1.2
221.13329	6.0
221.15347	1.2
222.14098	1.1
223.14818	10.4
225.16359	3.8
227.17992	1.5
232.12306	0.9
233.13200	3.3
235.14833	5.7
237.16383	5.3
239.17935	3.9
241.19518	1.5
247.14833	2.1
249.16399	3.2
251.17920	2.4
253.19489	1.5
261.16409	2.0
263.18103	1.7
265.19498	2.2
275.17700	1.5
275.20349	2.5
277.19547	2.3
289.19199	1.0
295.20697	1.4
303.20959	1.0
307.20517	1.2
309.22269	1.1
315.23032	1.8
319.20535	1.2
321.22180	1.4
333.21838	1.3
335.23795	1.6
339.18005	2.9
349.25070	1.2
353.24722	1.1
359.18237	1.1
363.26715	2.2
377.28455	2.2
389.28250	2.0
391.30276	1.3
396.34027	1.0
415.30276	1.1
421.30963	1.3
433.30408	1.0
445.30588	1.7
447.32336	1.1
459.32257	1.0
463.30569	1.9
481.33133	1.0
497.37701	1.1
509.36517	2.0
515.38959	11.0
519.33710	1.1
525.35370	1.4
533.39612	8.5
538.36438	1.2
551.41180	4.8
571.40991	2.3
589.42548	10.8
607.34570	14.0
607.43469	100.0
608.44055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
53.08948	2.7
55.01864	12.1
55.05503	25.4
56.25914	2.6
57.07061	5.8
65.03935	7.5
67.05500	58.9
69.07069	41.0
70.56531	6.7
70.56929	4.3
71.04965	3.8
71.08641	4.9
79.05493	50.3
81.03408	8.9
81.06599	4.0
81.07056	62.3
83.04985	7.1
83.08621	11.5
91.04910	5.1
91.05476	84.3
93.06493	4.0
93.07041	49.1
95.01330	13.1
95.04958	15.6
95.08609	45.9
97.06535	13.6
97.10142	4.6
103.05447	3.4
103.48942	2.6
105.07029	100.0
107.04965	24.4
107.08581	29.8
109.06511	5.7
109.10132	13.8
111.08067	3.6
111.20226	2.8
115.05480	3.1
117.07013	25.3
119.08573	48.6
119.09386	4.2
120.66193	2.8
121.06509	4.0
121.10123	12.8
123.04408	3.5
123.08090	3.0
123.11736	4.5
124.45135	2.7
125.09588	4.0
129.07001	11.9
131.08574	26.6
133.10136	47.8
135.08049	4.3
135.11685	8.8
143.08578	12.9
145.10114	28.7
147.11667	22.3
149.09645	5.1
149.13245	5.1
155.08528	7.3
157.10104	9.0
159.11676	18.2
161.09729	3.3
161.13268	9.1
163.11185	5.7
165.09093	3.7
167.08559	4.2
169.10162	7.5
171.11690	8.9
173.13269	10.7
175.14874	3.0
177.12740	4.7
179.14336	15.0
181.10046	4.8
183.11711	6.5
185.13260	5.8
187.14835	4.1
195.11578	6.3
197.13243	5.0
199.14873	4.6
206.77824	3.1
207.11746	3.9
211.14816	3.0
235.14757	3.2
241.19612	6.5
259.20505	10.7
275.20062	69.6
277.21548	4.9
293.21103	4.9
315.23245	9.1
349.23599	8.1
489.33029	3.0
551.40460	3.5
607.34265	5.7
607.43414	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.6
53.03941	4.9
55.01872	9.5
55.05507	18.4
57.03425	3.5
57.07067	2.0
63.13849	0.8
65.03943	2.2
67.05501	43.6
69.03421	2.0
69.07066	30.8
71.04987	2.0
72.01337	1.0
75.48155	1.0
77.03912	0.9
79.05489	38.3
81.03429	8.3
81.07050	48.8
83.04985	4.9
83.08618	7.6
85.06548	1.8
91.05473	50.3
93.07040	31.8
93.07643	1.5
95.01327	6.7
95.04972	6.7
95.08598	33.3
97.06531	11.3
97.10165	2.9
97.43376	1.0
98.98464	1.1
99.08088	1.5
103.05445	1.9
105.07024	59.7
107.04939	10.8
107.08584	18.2
107.59438	0.8
109.06505	3.7
109.10159	8.8
111.08064	2.1
115.05454	2.3
116.06231	1.4
117.07009	20.3
119.08577	35.0
121.06509	2.1
121.10144	12.3
123.04409	1.6
123.08064	4.0
123.11713	3.1
125.09596	2.2
127.03893	1.2
128.06226	3.1
129.07021	10.5
130.07794	1.1
131.08554	28.2
133.06464	1.0
133.10124	30.9
135.08047	3.1
135.11690	6.9
141.06995	5.3
142.07779	1.1
143.08560	11.4
144.09349	1.0
145.06477	1.1
145.10112	24.0
147.08035	1.2
147.11678	20.1
149.09633	4.2
149.13228	5.1
151.11156	1.7
155.08543	8.8
156.09311	1.3
157.10132	9.5
159.11678	16.6
161.09624	1.4
161.13248	8.4
163.11177	2.7
163.14877	1.1
165.06982	1.8
165.09082	1.8
166.07857	1.0
167.08583	5.1
168.09381	1.3
169.10133	8.9
171.10422	1.5
171.11690	9.6
173.13206	7.5
175.14825	2.7
177.12758	2.3
179.08536	2.3
179.14302	9.0
181.10144	6.4
182.10974	1.5
183.11716	9.4
185.13264	6.8
187.11198	2.6
187.14813	3.4
193.10158	3.5
195.11707	6.5
195.13637	1.7
197.13242	7.3
199.14850	3.9
201.16293	1.0
205.12332	1.1
207.11665	4.5
209.13255	6.7
211.14871	4.5
213.12744	1.1
213.16409	3.3
215.14261	1.5
215.18037	1.1
217.19453	1.4
219.11774	1.5
221.13297	4.1
223.14754	4.9
225.16290	1.8
229.74417	1.0
235.14885	2.8
237.16374	2.0
239.17947	2.5
241.14395	0.9
241.19487	5.0
247.14697	1.2
247.20619	1.4
249.16342	1.4
251.17931	1.4
253.19655	1.0
257.19009	5.1
259.20590	8.7
263.17737	1.3
275.20059	41.4
293.21185	4.1
297.22034	1.7
300.89542	0.9
315.23163	10.3
321.22229	1.4
331.22769	1.1
333.24557	1.2
335.23843	1.2
339.17740	1.4
349.23734	5.8
363.26804	1.3
391.30029	1.4
435.32846	1.1
483.34811	2.1
497.37476	1.4
509.36111	1.8
515.38702	6.5
533.39655	5.4
538.36536	1.4
551.40698	3.9
589.42816	4.6
607.34778	5.5
607.43451	100.0
608.43781	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	607.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31133	0.5
51.42707	0.5
51.64657	0.5
53.03936	2.1
55.01617	0.5
55.01863	3.1
55.05507	13.8
57.03430	3.7
57.07060	1.6
59.04994	0.6
65.03918	1.1
67.05135	1.2
67.05498	25.3
69.03423	0.7
69.06686	0.7
69.07062	12.5
70.00564	2.6
71.04980	1.9
71.08635	0.6
73.86002	0.5
79.05028	0.5
79.05486	17.1
81.03406	1.7
81.07052	25.7
83.04989	1.6
83.08614	6.8
85.06532	1.4
90.88087	0.5
91.05475	17.7
93.07036	17.9
95.04967	3.2
95.08601	19.1
97.06522	3.5
97.10137	4.0
98.21413	0.7
99.08087	1.0
103.05456	1.0
105.07023	19.8
107.04955	1.2
107.08585	11.2
109.06535	1.3
109.10150	8.3
111.04467	0.5
111.08093	1.8
115.05484	0.9
116.06227	0.7
117.07016	10.2
119.08570	14.7
119.09379	1.0
121.10136	7.3
123.08062	1.4
123.11694	2.3
125.09644	1.8
128.06172	2.7
129.06989	10.1
130.07774	1.2
131.08559	10.9
133.10115	10.8
135.08067	1.3
135.11685	5.0
136.94934	0.5
137.09607	0.7
139.11134	0.9
141.06979	6.0
142.07767	2.6
143.08551	10.6
144.09300	0.9
145.06482	1.1
145.10104	12.7
145.11172	0.9
147.11685	6.9
149.09621	1.6
149.13222	2.6
151.11125	0.9
153.07016	2.0
153.12744	0.5
154.07765	2.4
155.08539	12.6
155.09734	1.0
156.09358	1.7
157.10110	10.4
159.08069	0.7
159.11679	8.2
161.13274	2.4
163.11172	1.5
165.07030	2.1
166.07790	1.7
167.08525	8.1
168.09381	2.8
169.10110	14.5
171.11668	9.8
173.09697	0.9
173.13271	4.1
175.11185	0.8
175.14877	1.4
177.12833	0.8
178.07796	1.1
179.08539	5.0
179.14375	0.7
180.09305	1.8
181.10112	12.1
182.10910	1.8
183.11674	12.8
185.09747	0.6
185.13258	6.4
187.11243	0.6
187.14748	3.0
189.16389	0.9
191.08623	1.1
192.09308	1.3
193.10114	6.5
194.10916	2.8
195.08115	0.6
195.11690	11.5
195.13484	1.0
196.12436	1.5
197.13255	10.2
199.11360	0.8
199.13260	0.7
199.14809	3.4
201.16383	1.8
205.10124	2.2
206.10875	1.2
207.11685	7.4
208.12485	1.7
209.13245	10.9
209.15128	0.9
210.13881	0.6
211.14806	5.5
213.14645	0.7
213.16400	2.5
215.18015	0.9
217.10162	0.7
218.10918	0.6
219.11684	3.0
220.12473	1.0
221.13242	5.6
222.13985	0.8
223.14792	6.7
225.16373	4.3
227.18080	1.2
231.11726	0.8
233.13225	2.7
234.14235	0.8
235.14813	5.3
237.16350	5.7
237.18466	0.8
239.18053	3.3
241.19528	1.3
245.13150	0.9
245.54541	0.6
247.14845	2.1
247.20499	0.7
248.15355	0.8
249.16408	3.2
251.17838	3.7
253.19612	1.3
259.14688	1.0
259.20618	1.7
261.16397	1.6
262.13342	0.5
263.17984	2.3
265.19519	2.1
267.21042	0.7
273.16278	1.0
275.17630	1.0
275.20178	3.4
275.39343	0.6
277.16510	0.6
277.19446	2.1
279.21222	0.6
289.19113	0.7
291.21155	0.6
295.20599	0.6
297.22070	1.1
307.20618	1.0
307.24344	0.7
311.20187	1.1
311.23502	0.7
319.20486	1.1
321.21823	1.2
323.23676	0.9
325.21722	0.9
333.21948	1.0
335.20016	0.7
335.23770	1.6
337.25174	1.2
339.23407	1.4
341.24863	0.6
345.25858	0.5
347.23599	1.1
349.25262	2.1
353.24844	0.8
361.25241	0.9
363.26862	2.6
365.24564	0.8
367.26379	0.9
375.26965	0.9
377.28531	1.1
379.26151	0.9
389.27969	1.4
391.29980	0.9
399.26892	0.6
403.30173	1.2
407.29312	1.2
415.44305	0.7
417.31403	0.8
419.29205	0.8
419.87405	0.6
421.31067	1.1
433.31320	0.7
435.32495	0.8
445.30753	1.5
447.32578	1.4
459.32684	1.2
473.34268	0.8
495.35239	0.8
497.37521	2.0
509.36591	1.4
515.38770	11.5
533.39935	7.2
537.35657	1.3
538.36609	1.9
539.37183	0.7
551.41132	3.8
571.41437	1.8
589.33325	0.7
589.42554	9.0
607.43506	100.0
608.43842	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4197
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
51.93628	1.3
53.03938	2.7
53.26445	1.4
55.01855	3.1
55.05505	13.5
57.03434	21.1
57.07054	2.4
57.23209	1.4
61.02909	4.1
61.92200	1.6
65.03932	3.2
67.05180	2.2
67.05502	26.7
69.03426	7.4
69.07062	16.5
71.04993	10.1
73.02918	37.9
79.05482	23.7
81.03413	15.7
81.06604	3.0
81.07055	46.5
83.04958	6.2
83.08600	5.6
85.02897	3.1
85.06525	2.4
89.05949	1.7
91.05475	17.3
93.07037	36.6
95.04948	6.7
95.08603	40.0
97.02869	4.7
97.06524	5.6
97.10143	4.2
98.20762	5.4
98.98445	4.0
99.08084	4.9
104.07923	1.4
105.07021	33.9
107.04958	2.0
107.08593	33.7
109.02852	2.4
109.06489	4.1
109.10153	28.5
111.08064	3.7
115.03922	3.4
117.07005	8.6
119.08582	35.9
121.06453	2.9
121.10140	37.3
123.08014	3.7
123.11687	8.3
125.09602	1.8
127.03879	2.0
127.07518	1.7
127.11188	4.1
128.06192	2.3
129.07004	4.9
131.08568	15.2
133.06516	2.2
133.10129	28.7
135.08014	3.8
135.11697	29.9
137.09587	6.6
137.13219	1.9
139.11139	2.1
141.06938	2.3
142.07768	3.1
143.08565	8.7
145.06412	2.2
145.10114	27.6
147.07988	3.4
147.11687	27.4
149.09612	4.8
149.13246	17.5
151.11154	5.4
155.08522	4.2
157.10115	13.8
159.11691	25.1
161.13229	11.9
163.11130	3.5
163.14813	4.6
165.12764	3.0
169.10106	6.7
171.11697	9.3
173.13252	10.0
175.11226	2.2
175.14784	5.9
177.12712	3.1
179.14291	1.8
183.11671	4.5
185.13240	6.2
187.14804	20.5
189.12756	1.8
189.16370	51.3
191.17952	20.2
193.10216	2.1
195.11800	2.6
195.13805	4.9
197.13290	5.6
199.14839	11.2
201.16362	9.3
203.17940	6.8
205.15941	1.7
205.19565	3.3
207.11800	2.1
207.17430	20.2
208.25360	1.5
209.13237	3.5
211.14854	2.9
213.16365	9.6
215.17963	6.8
217.15924	7.5
219.17436	5.6
223.14777	2.1
225.16379	2.2
227.17888	2.6
229.15985	2.0
229.82359	1.7
231.17346	5.3
233.15375	1.9
233.18971	2.3
235.16931	6.2
241.19547	4.9
253.19588	2.6
254.72264	1.6
259.20551	4.2
265.19473	2.4
267.20932	2.2
271.20502	1.7
281.22720	1.8
283.20633	2.4
285.21912	2.0
287.23712	1.6
295.24115	2.1
335.27167	2.5
339.17905	2.4
351.26505	2.2
351.30417	7.0
353.28317	2.1
359.29416	2.0
369.31549	2.7
395.20636	2.5
403.33630	3.6
417.17346	2.7
421.34604	28.5
433.19653	1.8
435.32477	1.9
439.35657	34.8
446.20905	2.8
447.21423	3.2
457.36734	100.0
458.37109	5.0
463.30573	1.9
474.20462	2.3
501.35611	2.3
509.36469	9.8
519.23401	3.7
547.23370	4.3
553.39117	2.7
571.39514	6.7
579.25067	2.2
589.41022	56.1
590.41449	2.0
607.25043	28.6
607.34344	22.6
607.42566	14.2
608.25201	5.2
608.34381	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03058	1.8
53.03936	7.3
55.01851	6.6
55.05510	29.8
55.39130	1.6
57.03440	9.2
57.07077	2.8
65.03922	3.9
67.05504	74.4
69.03423	17.7
69.07068	24.2
71.04979	7.3
71.51305	2.2
77.03918	2.7
78.34034	1.8
79.05490	53.1
80.05805	2.0
81.03416	61.8
81.07052	94.8
83.04974	13.4
83.08608	17.4
85.02894	5.7
85.06516	5.7
91.05479	42.4
93.07039	59.3
93.07643	2.2
95.04964	15.0
95.08604	31.5
97.02896	11.1
97.04305	1.8
97.06530	12.1
97.10174	4.3
99.04456	2.9
99.08082	4.7
101.02344	2.2
104.26105	1.9
105.07027	29.9
107.04978	8.3
107.07887	2.4
107.08590	34.7
108.99960	2.0
109.02872	10.3
109.06508	6.2
109.10164	13.7
109.46368	1.9
110.27752	1.6
111.04417	7.9
111.08076	8.2
114.34232	1.6
115.05403	3.3
117.07016	17.7
119.08570	19.7
121.06501	4.8
121.10137	20.1
123.11692	6.0
127.03911	6.3
128.06204	3.2
129.06967	13.7
131.08562	17.6
133.06476	2.9
133.10124	20.4
135.07980	3.5
135.11699	11.0
135.26288	2.0
139.11139	2.6
141.07010	5.5
143.08560	10.0
145.06448	5.0
145.10129	12.6
147.04410	3.1
147.08047	3.2
147.11659	15.8
149.09619	3.0
149.13248	25.1
151.11169	3.4
155.08553	9.3
157.10107	9.6
159.11694	19.5
161.13289	4.8
163.11005	1.8
165.06982	2.7
165.12732	5.2
167.08519	2.4
169.10109	10.1
171.08040	2.1
171.11703	9.0
173.04424	3.4
173.13237	3.3
175.11169	4.0
177.12733	7.2
179.08434	3.6
179.14267	2.5
181.10091	6.5
183.06534	3.4
183.11661	5.8
185.13235	6.3
187.14891	2.9
193.10146	2.8
195.11763	4.7
195.13802	15.8
197.13289	6.6
199.14818	3.0
201.12651	2.1
201.16393	2.0
202.75072	1.7
207.11702	4.0
207.13654	2.1
209.13220	6.5
211.14815	5.1
213.14717	3.7
221.13272	3.7
223.14801	4.6
237.16344	2.9
239.17889	2.1
267.15952	5.9
269.17450	11.7
275.20389	2.6
285.14587	2.2
303.15918	4.5
321.16928	5.2
335.23572	2.0
339.17972	12.2
341.51086	1.7
345.28168	1.8
362.80576	2.1
377.19693	5.1
395.20859	11.9
417.31750	2.0
435.32410	3.5
445.29587	5.2
463.30463	14.6
509.36313	8.0
515.38568	4.0
529.31671	2.4
533.39880	3.5
571.32385	2.1
589.33264	6.1
589.42035	3.3
607.34351	100.0
607.43414	39.6
608.34552	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2904
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
63.47987	0.6
69.48466	4.6
74.37139	0.5
87.48063	0.5
98.20786	1.3
161.91728	0.6
192.14655	0.6
209.10870	0.6
217.42320	0.5
315.27960	0.7
387.16180	1.3
388.16751	1.0
389.17603	1.6
390.18427	0.9
401.17499	1.0
402.18411	2.3
403.19330	4.5
404.20001	2.2
405.20905	2.0
415.19254	1.4
417.16357	1.7
417.21466	4.8
418.21545	2.9
419.22293	5.5
430.17624	1.6
431.18137	11.6
431.23569	0.8
432.19504	2.4
433.18991	0.9
433.23981	9.3
434.24664	1.4
445.19858	11.9
446.20657	5.9
447.21802	5.2
459.21344	5.7
460.22522	15.3
461.23340	15.6
473.23743	3.7
474.24390	1.7
477.23080	0.8
487.25015	3.0
492.25171	0.9
505.21661	4.2
506.26273	0.8
515.24347	1.4
517.22943	0.8
519.24231	2.6
532.24829	0.9
533.25494	0.8
547.27014	38.4
548.27295	1.0
564.26678	0.9
575.26501	1.5
579.30371	0.8
607.29089	100.0
608.29236	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
53.02506	0.2
71.09983	0.5
80.48615	0.2
89.88041	0.2
137.86765	0.2
185.75739	0.2
209.10658	0.2
221.10507	0.2
233.10600	0.2
237.13889	0.2
260.99829	0.2
297.12708	0.3
322.61160	0.3
374.15625	0.4
387.16052	0.6
388.16754	0.8
389.17572	1.5
390.18658	0.6
391.19031	0.3
400.17621	0.4
401.17978	1.1
402.18472	1.6
403.19220	4.8
404.20047	1.6
405.20807	2.1
415.14621	0.4
415.19153	1.0
416.20486	1.9
417.16702	1.5
417.21304	5.8
418.17157	0.3
418.21658	3.6
419.22360	5.0
421.24210	0.3
429.16324	0.4
429.21414	0.5
430.17743	1.4
430.22220	0.7
431.18076	9.6
432.18353	2.1
432.23767	0.8
433.24042	10.3
434.24973	1.2
443.18512	0.9
444.19016	0.9
444.23978	0.5
445.19818	13.7
446.20782	4.7
447.21774	3.9
449.23114	0.3
458.20712	0.3
459.21362	4.7
460.22501	10.5
461.23318	10.8
472.22061	0.3
473.23492	3.2
474.23975	1.0
477.22745	0.7
487.25113	1.5
488.26010	0.3
489.22891	0.4
491.24747	0.5
492.24866	0.4
504.25812	0.4
505.21567	1.5
506.26779	0.3
515.24750	0.4
517.22198	0.5
518.22913	0.4
519.27203	1.3
532.24463	0.7
547.27026	38.7
548.27637	1.3
569.16510	0.3
575.26459	1.0
579.29822	0.5
592.27094	0.3
607.29120	100.0
608.29224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01860	2.9
55.05511	8.1
55.49134	0.8
57.03429	1.1
57.07075	4.3
57.96671	0.7
67.05138	0.9
67.05499	16.3
68.05840	1.1
69.07066	8.2
70.07384	1.1
71.04971	1.3
71.08618	3.4
71.52401	1.0
79.05489	10.8
81.03420	1.5
81.06589	1.4
81.07047	17.9
82.07393	1.4
83.04971	2.0
83.08609	4.0
85.10170	2.1
91.05473	15.0
93.07032	11.9
94.07349	1.0
95.01305	1.5
95.04959	3.1
95.08599	12.3
96.08935	1.6
97.06532	4.0
97.10158	2.7
103.05467	1.4
105.07027	18.3
107.04951	4.0
107.08582	7.0
108.08913	0.9
109.06524	1.5
109.10128	5.0
111.08070	1.1
117.06995	4.9
119.08580	9.5
121.06442	1.2
121.10150	3.0
123.08025	1.4
123.11701	1.5
129.06990	2.1
131.08549	7.1
133.10121	9.5
134.10405	1.0
134.94455	0.7
135.08064	1.3
135.11716	2.4
141.06995	1.2
143.08563	3.5
145.10129	6.4
147.11678	5.3
149.09610	2.9
149.13289	1.9
151.11198	0.9
155.08563	1.4
157.10114	3.0
159.05885	0.6
159.11700	4.4
161.13277	2.3
163.11195	1.4
165.12799	0.9
167.08670	0.9
169.10147	2.8
171.11697	3.5
173.13324	1.8
177.12752	1.1
179.14345	2.3
181.10165	0.9
183.11690	1.2
185.13293	2.2
195.11731	1.8
197.13243	1.7
199.14960	1.4
207.11717	1.2
209.13145	1.4
211.14847	0.8
219.17484	1.4
223.14836	1.5
227.12831	1.0
229.19608	0.9
239.23607	1.1
241.19574	1.3
259.20532	2.1
270.54285	0.8
275.20050	10.8
276.20474	3.3
277.21500	1.1
295.22672	0.9
313.27310	3.1
314.27841	2.8
315.23209	2.5
349.23865	2.4
350.24197	1.5
351.25388	1.4
359.80951	0.8
375.16211	1.5
388.16928	0.9
389.17789	4.0
390.18524	1.5
391.19052	1.1
402.18619	1.6
403.19495	7.0
404.19919	3.7
405.20795	2.5
417.16168	5.5
417.21448	2.7
418.17023	1.5
418.21872	1.4
419.22330	9.4
430.17798	1.3
431.18198	9.6
432.19388	3.4
433.20172	3.2
435.32712	0.9
445.20157	7.5
446.21185	8.3
447.21655	13.1
459.17456	1.5
459.22714	1.3
460.18515	1.0
461.19739	1.0
463.25378	1.2
473.19443	1.2
474.20383	11.6
475.21335	12.3
483.34695	0.8
487.21396	2.2
488.21613	1.2
490.23746	1.4
491.20746	2.6
501.23126	1.7
505.22217	1.7
509.36163	1.1
519.23920	13.1
529.22516	0.9
533.40448	0.9
547.23358	72.2
548.23462	3.6
561.24487	0.9
579.26068	4.4
588.46783	2.0
589.24268	1.0
589.48206	1.6
606.48236	1.5
607.25488	100.0
607.41809	14.6
608.25610	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	607.2545
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.02449	0.3
55.05509	0.3
61.62538	0.2
62.09038	0.2
67.05492	0.6
71.64088	0.2
81.07053	0.6
91.05488	0.3
93.07059	0.5
95.04967	0.5
95.08604	0.2
102.08659	0.2
105.07030	0.4
107.08546	0.3
120.08099	0.3
121.10110	0.3
130.79187	0.2
133.10091	0.3
135.00838	0.2
143.08583	0.3
159.11621	0.3
170.09537	0.3
183.02917	0.2
183.09195	0.3
183.11659	0.2
197.10660	0.4
209.10797	0.3
221.10851	0.3
222.11646	0.3
223.12328	0.3
251.11755	0.3
272.21014	0.2
314.12933	0.3
340.14532	0.3
373.14868	0.4
374.15396	0.3
375.16187	0.9
376.16733	0.3
386.16278	0.3
387.16180	1.1
388.16962	0.8
389.17648	3.0
390.18393	1.5
391.19189	1.1
401.17780	0.7
402.14206	0.6
402.18668	1.0
403.15692	0.6
403.19504	4.8
404.20163	1.8
405.20715	3.5
406.20813	0.3
415.14990	0.5
415.19910	0.3
416.15381	1.4
416.21005	0.4
417.16257	4.2
417.21182	1.9
418.17743	1.3
418.22705	1.1
419.22424	6.7
420.23026	1.0
429.16443	0.3
430.17422	1.2
431.18295	8.3
432.19153	3.8
433.20096	3.7
434.20758	0.5
435.21857	0.5
442.17517	0.3
444.19711	0.5
445.20200	5.2
446.21017	9.1
447.21707	10.0
448.22397	0.9
455.19040	0.3
459.17560	1.0
459.22000	1.7
460.18759	1.0
460.23856	0.3
461.19562	2.3
462.24295	0.7
463.20847	0.7
463.25772	0.5
473.19461	1.0
473.24225	0.7
474.20346	5.3
475.20911	4.9
477.22729	0.8
478.23798	1.1
487.21481	1.9
488.22113	0.4
489.19025	0.3
490.23651	0.7
491.19815	3.1
501.22952	1.1
504.21701	0.4
505.22641	1.1
506.22897	0.5
509.36569	0.4
519.24011	16.8
520.24298	1.4
533.25568	0.5
547.23358	11.8
548.23999	1.1
551.26428	0.5
561.24609	0.4
579.25909	5.9
580.26257	0.6
589.24164	0.4
607.25470	100.0
608.25787	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	605.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.4
55.01870	32.0
55.05492	20.2
56.72123	4.6
57.03435	6.7
57.07082	29.8
59.92941	4.0
67.05499	42.5
69.07064	29.1
70.78145	10.6
71.08633	25.6
75.78561	4.2
77.53000	4.7
79.05473	29.0
81.07049	63.8
83.04993	6.8
83.08595	14.4
85.10194	7.8
91.05474	41.2
93.07048	28.2
95.01295	7.6
95.04958	8.6
95.08601	40.9
97.06526	54.5
103.05470	4.8
105.07018	55.1
107.04953	15.5
107.08578	14.5
109.10134	20.7
111.08057	4.9
117.06023	4.6
117.06966	10.0
119.08557	35.1
121.10133	6.7
123.08059	5.5
123.11661	6.4
126.91933	4.4
131.08551	23.3
131.10025	4.7
133.10094	31.4
135.11702	7.4
145.10078	16.7
147.11652	12.3
149.09567	5.5
150.33466	4.3
158.42641	5.3
159.11702	10.2
161.13312	7.7
179.14322	14.6
183.11607	5.8
247.20497	6.2
257.18948	10.6
275.20041	100.0
283.32343	4.7
283.45041	4.8
293.21060	11.4
313.27402	59.0
349.23651	28.1
472.22287	7.7
473.23135	9.9
474.23801	5.0
485.23126	12.4
487.24811	29.4
488.25476	10.7
507.40448	6.1
545.25726	29.4
546.25928	5.2
587.46570	85.9
605.27661	77.7
605.47467	13.3
606.27673	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	605.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03935	4.0
53.82116	1.6
55.01869	14.6
55.05274	2.1
55.05512	27.6
57.03436	8.3
57.07076	53.3
65.03946	4.6
67.05502	69.0
69.03421	1.7
69.07069	34.7
70.95994	1.9
70.96336	3.3
71.04987	3.9
71.08627	37.0
71.74118	1.5
77.03944	1.7
79.05489	48.2
81.03414	4.5
81.07054	100.0
83.04999	6.8
83.08621	27.8
85.06548	4.5
85.10172	21.5
91.05478	39.6
91.06033	2.9
93.07043	37.4
95.04968	9.7
95.08602	58.9
97.06527	25.4
97.10170	13.1
99.08105	2.8
99.08881	1.4
99.11719	1.5
105.07024	44.5
107.04964	13.9
107.08589	30.3
109.06505	14.6
109.09467	0.9
109.10152	32.2
111.08064	4.8
117.07009	12.6
119.08588	33.4
121.06506	4.8
121.10139	17.5
123.08067	7.6
123.11699	12.5
125.09612	6.0
129.07030	6.4
131.08562	15.7
133.10132	27.2
135.08051	6.3
135.11685	7.4
137.09605	5.5
137.13261	4.5
141.07036	3.1
142.07782	2.1
143.08527	6.1
144.09323	1.4
145.10114	23.1
146.41537	1.5
147.08080	2.6
147.11682	27.5
149.09605	23.6
149.13248	6.3
151.11153	4.2
155.08542	3.8
157.10115	6.0
159.11684	15.4
161.09634	4.0
161.13258	6.5
163.11166	12.3
165.07001	1.4
165.09073	2.5
165.12724	5.8
167.08537	2.2
169.10161	5.5
171.10391	1.5
171.11642	8.0
173.09573	2.1
173.13258	7.4
175.11229	2.3
175.14864	2.0
177.12723	1.5
179.08528	3.2
181.10103	2.6
183.11716	7.1
185.13312	3.3
187.11136	3.7
187.14799	3.6
189.11212	4.6
191.14326	1.7
193.10120	2.1
193.12344	1.4
195.11671	2.0
197.13315	4.6
201.12737	1.6
203.14388	1.7
207.11630	2.5
209.13358	2.7
211.14882	2.2
213.16472	2.5
217.16029	2.0
221.13394	3.0
221.22635	1.6
227.12753	9.0
229.19557	5.2
233.19096	1.9
235.14688	1.6
239.18044	4.0
239.23633	8.2
247.20552	6.0
249.16397	1.8
251.20403	1.7
257.18994	18.9
265.21600	1.9
267.15738	2.4
275.20056	89.0
276.20425	2.5
293.21066	13.9
313.27344	59.9
314.27841	2.3
331.22552	2.1
349.23743	43.4
350.23932	2.3
374.19226	1.7
531.38306	3.9
532.39008	1.6
549.39276	3.2
587.38312	2.2
587.46729	34.8
605.40173	11.0
605.47607	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
53.31696	2.2
55.01866	8.6
55.05508	27.7
57.03427	8.1
57.07075	29.1
58.42041	2.4
66.84795	3.1
67.05506	41.5
69.03425	4.0
69.07059	17.8
71.08628	21.8
79.05488	44.2
81.07056	30.5
83.04971	6.5
83.08610	15.0
85.10184	8.2
91.05474	39.9
93.07055	38.1
95.04964	6.2
95.08608	25.2
97.06528	8.7
97.10156	16.0
98.21517	8.3
103.05436	4.0
105.07021	38.4
105.94054	2.3
107.04950	20.5
107.08588	51.3
109.06538	2.8
109.10154	19.0
109.99614	2.6
111.11707	3.7
117.07034	11.0
119.08582	25.0
121.10159	9.8
123.11728	6.8
125.09646	14.4
129.06984	3.3
131.08551	16.9
133.10132	25.3
135.08067	3.9
135.11696	4.0
145.10127	27.4
147.11710	15.7
148.65086	2.7
149.09630	25.2
159.11647	13.3
161.13252	6.8
163.11201	7.0
171.11743	5.4
173.11847	3.2
173.13300	7.7
177.12804	2.9
185.13283	2.9
189.11218	11.4
189.12860	2.5
201.16455	2.6
227.12770	34.0
239.17941	5.2
257.19040	15.5
275.20050	100.0
293.21176	4.2
313.27338	63.5
313.30777	5.1
316.08820	2.6
331.22644	6.4
349.23727	25.7
351.43509	2.6
483.36801	6.1
585.63995	3.2
587.46747	48.2
605.40179	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	605.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.2
53.00280	1.4
53.03938	4.8
53.07520	1.3
55.01873	15.6
55.05509	25.0
57.03436	5.1
57.07076	47.7
59.04975	1.5
65.03929	2.4
67.05501	64.8
69.03424	2.8
69.07067	30.7
70.97482	1.8
70.97839	2.8
71.04984	4.8
71.08630	33.3
73.93778	1.2
79.05489	40.3
81.03415	2.9
81.07054	100.0
83.04981	6.3
83.08615	23.6
85.06527	3.8
85.10187	15.6
91.05474	37.3
93.06133	1.3
93.06486	2.2
93.07040	34.8
95.04964	9.3
95.08604	64.0
97.02918	1.2
97.06528	18.1
97.10159	12.2
99.08084	3.7
105.07025	40.2
107.04956	12.0
107.07884	2.0
107.08591	26.2
109.06518	12.7
109.10150	24.8
111.08081	4.2
111.11678	1.6
117.07014	9.9
119.08576	32.5
121.06468	5.2
121.10139	14.3
123.08067	6.9
123.11694	10.9
125.09612	5.3
125.16821	1.3
128.06212	1.5
129.06992	5.4
131.08560	16.9
133.10130	24.0
135.08058	6.3
135.11708	7.5
137.09610	5.1
137.13246	3.0
139.11168	1.6
141.06981	1.9
142.07735	1.3
143.08519	5.0
145.10118	21.5
147.11687	23.4
149.09610	21.2
149.13240	5.2
151.11162	3.4
155.08565	3.5
157.10117	5.0
159.11670	12.4
161.09541	2.5
161.13235	6.7
163.11195	12.0
163.14810	2.8
165.06946	1.8
165.12788	6.5
167.08557	1.7
168.09264	1.4
169.10127	7.3
171.11754	6.0
173.09756	1.6
173.11946	1.4
173.13260	6.3
175.11270	1.6
175.14848	2.4
175.25999	1.2
177.12753	3.2
179.08540	1.5
179.14339	1.5
181.10078	3.1
183.11703	4.5
185.13205	2.4
187.11157	1.9
187.14813	2.1
189.11177	4.0
191.14290	2.0
193.10046	1.6
193.12332	1.6
195.11812	2.6
197.13242	4.9
199.14799	1.6
207.11653	2.4
207.13753	1.5
209.13200	3.1
211.14806	3.0
215.17996	1.8
217.15852	1.8
219.11681	1.5
223.14752	1.8
227.12747	6.0
229.19466	3.9
235.14603	1.8
237.16515	1.7
239.17960	4.8
239.23676	6.8
247.14789	1.6
247.20615	7.5
257.18994	12.4
275.20053	80.0
276.20584	1.7
293.21091	12.0
313.21796	2.1
313.27371	53.2
331.22476	3.7
349.23724	35.4
377.99094	1.3
531.38049	4.1
549.39282	3.0
587.46899	28.1
605.40283	11.6
605.47540	31.1
606.41223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93269	2.1
51.02353	2.3
53.03946	17.6
55.01876	12.3
55.05507	38.5
57.03440	17.5
57.07083	2.9
59.04968	3.4
61.02923	2.3
65.03923	6.6
67.05505	72.9
69.03429	20.0
69.07070	25.8
71.01347	2.9
71.04978	10.4
75.75319	2.5
79.05492	71.5
81.02930	4.8
81.03415	95.9
81.07056	100.0
83.04976	19.4
83.08614	26.5
85.02898	18.8
85.06533	7.3
86.31755	2.2
87.04465	2.4
91.05478	67.1
93.07043	65.8
95.04962	53.9
95.08610	36.4
97.02899	14.1
97.06518	8.8
97.10186	13.6
99.04449	7.0
99.08065	3.1
103.05451	5.4
105.07031	55.3
107.04955	27.1
107.08578	41.3
109.02877	31.4
109.06513	10.2
109.10128	10.3
111.04411	14.0
111.08081	7.8
115.05405	5.3
117.07019	25.8
119.04916	6.9
119.08576	29.9
121.02865	3.4
121.06509	18.6
121.10139	27.2
123.04434	14.3
123.08067	10.5
123.11708	5.6
125.02309	3.4
125.09630	9.5
127.03931	11.9
128.06229	6.9
129.07014	25.3
131.04909	10.1
131.08565	33.1
132.99887	2.8
133.06485	17.1
133.10132	24.2
135.04448	4.3
135.08057	7.4
135.11678	16.6
137.05966	8.5
137.09612	5.2
137.13248	2.5
141.07013	6.7
141.76126	2.3
142.07765	4.7
143.08592	14.1
144.09340	2.7
145.06488	20.8
145.10155	18.3
147.04430	10.2
147.08020	11.2
147.11688	21.5
149.05963	7.3
149.09630	10.0
149.13284	13.4
153.06978	2.7
154.07849	2.8
155.08545	7.4
157.06505	7.6
157.10091	15.8
159.04494	2.8
159.08041	8.5
159.11679	9.8
161.05960	9.3
161.09624	9.6
163.11145	12.8
165.12761	8.5
167.08586	6.4
168.09236	3.3
169.06400	2.7
169.10094	8.3
171.08078	4.7
171.11693	9.3
173.04442	11.2
173.05942	6.8
173.09671	5.7
173.13202	4.6
174.06787	2.7
175.07593	5.0
175.11201	14.0
177.12759	6.2
181.10159	6.2
183.08067	5.3
183.11696	5.1
185.09758	3.3
185.13275	4.6
187.07582	6.3
187.11238	3.9
189.05594	5.3
189.11174	3.6
189.12726	3.6
191.10661	3.8
193.12204	18.0
195.08017	6.0
195.11768	5.6
195.13795	12.6
199.07613	4.8
199.11098	3.7
199.14766	4.1
201.12726	4.5
203.14281	3.4
205.12170	6.1
207.11766	2.9
211.13284	9.5
213.12799	3.5
213.14671	2.7
215.14267	2.8
217.12289	2.8
219.13857	4.3
220.60052	2.6
223.11388	3.7
223.13246	5.4
227.12697	3.7
231.13878	2.9
233.15407	4.5
235.13223	4.5
245.15538	3.7
249.14697	4.3
255.13728	7.7
257.15369	4.5
259.13205	6.5
261.14844	4.7
267.15964	10.1
269.17496	18.0
273.14853	22.7
283.13211	4.0
285.14771	7.2
289.14386	4.1
291.16049	3.2
301.14316	25.1
303.15863	10.7
319.15332	12.6
321.16946	5.1
325.17828	3.6
335.20288	2.8
357.17072	2.7
375.18127	4.8
377.19705	6.0
393.19070	9.1
395.20847	6.1
443.27991	6.0
461.28958	6.4
477.26288	3.1
479.30054	6.0
485.28845	3.7
495.27200	6.2
513.28436	3.5
527.29962	4.9
539.29364	2.9
541.31598	4.5
545.30438	2.4
551.29944	4.3
557.31061	5.7
569.31042	25.2
587.32043	38.0
605.33093	96.1
606.33649	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	603.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40506	1.3
53.03923	2.1
55.01867	5.3
55.05508	13.3
57.07077	26.3
67.04812	2.5
67.05187	3.6
67.05502	26.6
67.93285	1.3
69.03078	1.3
69.03419	5.6
69.07069	20.5
71.08633	16.6
79.05495	17.0
81.03421	2.1
81.07053	22.6
83.08621	11.8
85.10183	10.2
91.05467	11.4
93.07046	13.0
95.04972	6.0
95.08606	22.6
97.02892	8.7
97.06534	1.8
97.10162	10.7
98.21523	4.1
105.03414	1.4
105.07021	9.3
107.04990	4.5
107.08594	11.0
109.06524	2.6
109.10149	14.3
115.05450	1.6
117.07022	3.4
119.08597	9.0
121.06534	1.9
121.10117	4.2
123.08109	1.4
123.11737	2.1
123.88737	1.5
125.09664	3.9
129.06966	2.4
131.08595	4.9
133.06459	1.5
133.10144	3.5
135.08052	2.1
135.11716	2.2
137.09583	2.6
143.08572	2.8
145.10143	3.8
147.08102	4.5
149.09621	2.4
157.10176	2.9
159.08070	1.8
159.11742	3.0
161.09666	4.1
171.10071	1.6
171.11658	2.0
173.46851	1.6
177.12726	1.9
189.11293	2.4
203.37317	1.5
205.12383	1.6
223.13295	16.6
239.23726	3.3
245.19170	1.9
273.18481	21.6
285.09091	1.7
291.19531	100.0
292.20059	2.2
313.27219	7.9
345.89093	1.5
347.22281	4.5
365.23419	1.6
400.22195	1.3
477.80334	1.9
603.46167	95.5
604.46582	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	603.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59883	2.2
53.03234	2.5
53.03951	5.6
55.01865	17.7
55.05507	42.4
57.03424	16.6
57.07076	2.2
67.05502	45.5
67.65451	2.2
68.82307	2.2
68.99777	2.3
69.03428	13.2
69.07060	24.9
71.04975	8.3
71.51241	3.5
74.06649	2.4
79.05027	2.5
79.05492	63.6
81.03418	66.3
81.07053	62.0
83.04977	22.2
83.08615	24.5
84.25571	2.4
85.02905	38.1
85.06535	7.6
91.05473	63.6
91.06023	3.4
93.07034	40.5
93.10041	2.7
95.04964	67.6
95.08604	29.4
97.02888	6.8
97.06498	8.3
97.10169	23.4
103.05453	13.5
105.03409	4.5
105.07025	44.9
107.04945	21.8
107.08595	29.9
109.02880	15.4
109.06512	11.4
109.10153	11.3
111.04431	13.8
111.08083	13.0
115.05478	12.2
117.07011	23.3
119.04958	12.6
119.08569	30.2
121.02863	11.3
121.06504	18.9
121.10125	18.2
123.04431	9.8
123.08064	10.4
123.11716	7.9
125.05988	4.6
125.09624	15.1
127.03927	9.0
128.06219	9.2
129.07016	22.0
131.04913	15.1
131.08534	24.2
133.06488	20.0
133.10103	19.2
135.04425	4.1
135.08061	6.8
135.11697	9.0
137.02295	3.1
137.05963	4.9
137.09598	8.9
139.11232	2.7
141.07031	8.3
142.07770	3.6
143.08551	10.8
145.06474	26.6
145.10094	19.5
147.04420	17.4
147.08060	11.1
147.11662	15.1
147.64793	2.5
149.05959	7.3
149.09622	10.4
149.13251	4.2
151.03929	3.2
151.07582	3.6
151.11166	5.4
152.51234	2.7
153.06960	3.2
153.09103	4.3
153.12733	3.2
155.08554	9.8
157.06445	12.7
157.10080	15.9
158.07281	3.0
159.04449	3.9
159.08038	12.2
159.11668	8.8
160.05232	6.4
161.05983	28.7
161.09624	8.8
161.13318	3.0
163.03934	3.0
163.07504	3.9
163.11203	21.2
165.07098	3.9
165.09196	4.9
165.12733	5.1
167.08571	5.6
169.06494	3.9
169.10123	3.7
171.08090	9.8
171.11719	4.9
173.05988	42.2
173.09663	5.9
174.06757	7.8
175.03926	7.4
175.07590	8.7
175.11194	11.7
177.05453	3.1
179.07021	2.6
181.06508	4.7
181.10124	5.4
181.12247	5.0
182.07243	4.0
183.08003	6.2
185.06065	7.9
185.09599	7.0
186.06799	6.3
187.07481	16.6
187.11203	4.4
187.14780	4.6
189.05438	26.6
189.09151	4.5
189.11241	7.5
189.12874	3.1
190.06310	4.3
191.07018	3.7
191.10640	5.7
191.14340	6.6
193.10535	4.2
193.12241	26.5
195.08002	4.4
195.11754	3.8
197.09679	5.5
199.07555	8.4
199.11174	3.9
200.08443	2.6
201.05527	3.5
201.09045	4.1
203.06967	6.0
207.06467	3.1
209.09642	2.9
209.13428	3.0
211.13278	29.1
213.09117	3.4
213.12773	5.2
215.10709	5.9
223.11171	3.7
225.09166	3.1
227.10663	3.9
227.12750	9.8
237.12741	4.3
242.26323	2.9
243.13794	3.5
255.13841	15.6
257.15375	8.3
259.13123	3.0
267.15967	7.1
271.13443	4.0
273.14941	28.1
283.13174	18.9
283.15765	3.0
285.14697	10.5
285.17426	15.8
289.14423	6.9
295.16931	3.3
297.14984	3.1
301.14297	91.1
303.16135	3.9
305.15509	2.9
313.18082	3.1
315.15790	5.6
319.15430	11.9
323.16284	4.3
339.15601	5.2
341.17535	13.7
343.15332	13.3
357.16776	4.7
359.18594	4.3
375.18085	17.6
393.18933	5.3
398.79892	2.9
429.24203	4.6
429.65497	2.6
465.26416	3.9
475.24536	4.9
493.25720	9.5
511.26917	11.2
543.29639	19.5
549.28461	4.8
555.29327	5.6
557.30518	4.0
567.29718	25.2
573.30426	18.2
585.30560	100.0
586.30707	3.5
603.31268	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3159
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03934	9.2
53.23889	1.8
55.01865	12.5
55.05507	32.6
57.03435	14.3
59.04982	1.8
61.09620	1.6
67.05500	42.2
68.99792	2.0
69.03416	7.6
69.07065	10.2
69.50597	13.8
71.01339	4.2
71.04971	7.3
77.03858	2.0
79.05490	45.1
81.03411	74.3
81.07047	39.6
82.18676	1.6
83.04965	17.8
83.08615	22.7
85.00204	1.6
85.02897	28.5
85.06544	2.1
91.05476	51.5
92.58456	1.9
93.03387	2.7
93.07040	32.8
95.04961	58.8
95.08612	18.6
97.02892	7.1
97.06511	6.6
97.10164	14.1
97.12681	1.7
99.04434	4.0
103.05432	7.7
105.03397	2.5
105.07022	43.2
107.04948	19.8
107.08580	20.0
109.02859	19.9
109.06548	8.4
109.10146	7.9
111.04467	13.7
111.08080	13.9
113.06018	2.3
115.05465	11.7
116.06239	2.4
117.06995	19.1
119.04906	7.2
119.08583	24.6
121.02857	8.7
121.06499	14.2
121.10130	10.7
123.04414	5.7
123.08047	6.7
123.11704	3.7
125.09611	10.1
127.03883	3.4
128.06227	5.5
129.06992	20.7
131.04921	16.4
131.08556	20.0
133.06487	15.0
133.10107	11.5
135.04428	4.0
135.08040	7.6
135.11700	8.1
137.02322	6.6
137.05963	3.9
137.09612	6.3
139.03868	2.3
141.06969	6.3
142.07759	5.0
143.08563	10.0
145.06477	21.6
145.10088	10.4
147.04411	14.4
147.08060	9.4
147.11696	15.8
149.06007	9.8
149.09607	10.5
151.07518	2.3
153.06963	2.8
155.08591	5.1
157.06502	9.1
157.10112	14.0
159.04449	3.4
159.08090	8.9
159.11642	3.5
160.05190	5.6
161.05971	27.0
161.09569	4.9
163.07547	3.1
163.11183	15.5
165.05525	2.1
165.06981	2.5
165.12717	2.7
167.08572	5.1
169.06494	3.9
169.10103	4.5
171.04454	4.1
171.08025	9.3
171.11679	3.5
173.06004	30.5
173.09550	5.4
174.06738	7.8
175.03894	4.7
175.07530	6.5
175.11143	11.8
177.05473	3.5
179.08582	2.9
181.06500	3.2
181.10138	4.1
181.12207	7.2
183.07979	3.3
185.05956	3.0
185.09578	4.3
185.13356	2.6
186.06781	4.1
187.07524	15.2
187.11191	2.3
189.05455	32.3
189.09027	4.1
189.11194	5.4
189.12759	2.3
191.06938	2.6
191.10637	7.2
193.12234	33.0
195.08060	3.2
195.11707	3.2
197.09723	3.0
199.07605	3.5
199.11275	2.1
201.09119	2.7
203.07043	2.6
203.10594	3.3
211.07585	2.8
211.11247	2.0
211.13248	40.3
213.09100	2.8
215.06912	2.4
215.14308	2.0
225.12871	1.9
227.12756	7.8
227.14690	2.7
237.12958	3.1
241.12207	3.7
243.13828	1.9
255.13881	13.3
257.15332	6.9
261.48557	1.8
265.12256	2.3
267.16089	9.5
271.13306	3.9
273.14838	31.4
283.13129	16.9
285.14688	12.4
285.17493	17.1
289.14319	6.3
291.15811	3.1
301.14282	100.0
303.15869	4.2
311.16388	1.9
319.15350	19.0
323.16376	3.0
341.17477	3.8
357.16791	6.6
359.18414	4.4
367.23077	2.1
375.18051	23.5
393.18915	8.5
429.23950	2.4
457.23874	2.2
475.24857	3.5
493.25705	5.6
511.26984	5.3
525.27972	2.2
529.27972	4.9
537.29401	1.9
555.30029	3.5
557.30768	2.2
567.29633	14.3
573.30518	26.6
585.30542	91.3
586.30646	2.6
603.31433	97.1
604.31598	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	603.316
Annotation	trapoxin A
Peak:m/z	Relative Intensity
52.39787	2.7
53.03933	10.9
55.01865	14.5
55.05510	43.1
57.03433	18.0
67.05496	51.4
69.03413	18.1
69.07072	18.1
70.38630	3.0
71.01341	3.0
71.04989	7.9
73.25224	2.8
79.05489	57.7
81.03413	79.5
81.07051	49.7
83.04971	21.3
83.08614	30.3
85.02901	35.6
85.06535	4.1
86.06063	3.6
91.05471	64.0
93.07037	41.8
95.01301	4.3
95.04964	65.0
95.08601	22.3
96.34262	3.5
97.02877	8.8
97.06519	7.8
97.10169	12.0
103.05459	9.0
103.68660	2.8
105.03409	3.0
105.07028	44.7
107.04922	27.9
107.08604	24.5
109.02843	19.8
109.06509	11.7
109.10142	14.9
111.04459	15.0
111.08053	13.3
113.32287	2.7
115.05432	12.0
116.06230	3.5
117.07026	15.8
119.04961	12.5
119.08567	31.5
121.02849	10.8
121.06524	22.5
121.10149	20.0
123.04415	8.9
123.08043	7.6
123.11671	4.6
125.09586	14.2
126.67020	2.5
127.03876	7.9
128.06224	6.0
129.06985	25.8
131.04912	14.6
131.08543	24.2
133.06459	18.2
133.10179	18.6
135.04401	5.9
135.08018	10.9
135.11670	11.0
137.02350	8.4
137.05962	7.4
137.09602	6.3
141.07031	5.6
142.02130	3.1
143.08562	9.4
145.06461	19.6
145.10101	14.8
147.04408	18.4
147.08034	12.1
147.11664	21.2
149.05972	10.7
149.09604	13.8
153.06955	7.7
153.12724	5.7
155.08528	4.9
157.06476	10.5
157.10127	16.7
159.08072	11.9
159.11681	7.0
160.05231	5.2
161.05988	25.5
161.09613	10.4
163.11172	13.5
165.12791	5.2
167.08583	6.3
169.10141	5.5
171.08052	9.4
171.11620	4.4
173.05937	31.1
173.09648	5.6
174.06729	7.5
175.03857	6.4
175.07501	8.5
175.11172	12.1
177.05461	6.4
181.12224	6.1
183.08072	7.4
183.11638	5.7
185.09575	4.8
187.07590	20.4
189.05469	30.2
189.09122	5.7
189.11195	5.2
191.07062	3.8
191.10686	5.5
192.81664	3.6
193.12248	39.9
195.11688	4.4
199.07436	3.8
201.09052	4.8
203.07069	6.1
203.10670	4.6
207.06477	4.2
211.11287	5.0
211.13269	39.2
213.08963	3.2
213.12778	5.4
215.14311	4.4
221.09566	3.1
227.12778	8.1
241.12198	3.1
247.13412	3.6
255.13765	11.4
257.15417	6.2
267.15912	12.7
268.26279	2.6
271.13297	3.9
273.14850	29.7
283.13110	16.5
285.14435	8.9
285.17395	22.0
289.14377	7.8
301.14270	100.0
303.16095	5.5
319.15460	22.8
323.16412	4.1
325.99918	3.2
329.17566	3.7
341.17410	7.3
357.16861	4.8
375.17987	26.8
393.19006	8.8
447.25159	3.9
475.24564	4.0
493.25925	8.0
511.26907	4.7
543.29352	3.4
557.31323	4.4
563.79706	3.2
567.29114	12.1
573.30396	19.1
585.30493	88.5
603.31445	93.7
604.22601	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74377	0.4
53.03940	1.2
55.01862	0.7
55.05500	2.8
57.03437	0.6
65.03926	1.6
67.05186	0.6
67.05506	7.2
68.54295	0.5
69.03429	2.8
69.07073	2.6
71.04967	1.0
71.52937	0.6
77.03922	0.7
79.05489	3.2
81.03422	6.1
81.07050	6.6
83.04977	2.0
83.08615	1.9
85.02901	3.0
89.03903	0.5
90.09647	0.5
90.22411	0.4
91.05477	22.8
93.07050	4.2
93.24506	0.5
95.04970	3.4
95.08604	3.4
97.02891	1.8
97.06532	0.9
97.10139	1.0
103.05465	0.8
105.03422	0.8
105.07030	5.5
107.04932	1.6
107.08589	12.9
109.02858	2.0
109.06520	3.1
109.10151	7.8
111.04459	0.7
111.08054	1.1
115.05444	0.6
117.07021	1.1
119.04936	29.7
119.08578	5.0
121.02837	0.7
121.06493	3.8
121.10130	2.5
123.04427	1.1
123.08082	1.2
123.11669	0.6
125.09621	7.6
127.03922	1.3
128.06319	0.6
129.03294	0.6
129.07004	0.9
131.04915	1.5
131.08563	1.9
132.02084	1.1
133.06490	1.2
133.10129	3.0
135.08092	4.0
135.11690	1.1
136.05190	0.5
137.09608	1.0
142.07805	0.8
143.08517	1.5
145.06447	1.5
145.10123	1.8
146.07275	0.6
147.04408	27.6
147.08058	2.1
147.11665	1.6
149.02309	1.0
149.09610	1.6
151.07507	0.6
157.03960	2.9
157.10092	2.2
159.08034	1.0
159.11679	1.5
161.05957	1.2
161.09599	9.2
161.13266	1.0
163.11212	1.2
164.04695	1.1
165.09129	1.1
165.16089	0.6
167.07095	0.6
167.08499	0.6
171.08093	0.5
171.11673	0.6
173.05931	0.6
173.13196	1.4
173.61137	0.5
175.03900	52.3
175.11143	4.7
176.04282	0.9
177.05402	0.5
179.07002	2.4
181.10150	0.6
187.07506	0.6
189.05466	1.3
189.12695	1.0
189.16397	0.6
193.12234	1.5
199.14760	1.5
207.06519	100.0
208.06906	1.6
208.54785	0.5
211.13290	1.2
217.15887	6.4
225.07536	0.9
235.16899	2.0
255.13736	0.6
258.73935	0.6
273.14828	1.2
274.37442	0.5
283.13235	0.6
285.14587	0.6
301.14325	3.0
313.18695	0.6
351.10681	5.0
369.07330	0.9
369.11792	12.9
370.12085	0.8
375.17819	1.0
573.30151	0.6
585.30365	3.1
603.30756	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	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05488	1.2
57.07074	5.7
57.20543	0.5
58.06602	2.6
64.49253	0.5
65.03941	0.8
67.05489	1.4
69.03436	0.8
69.07063	1.3
69.13923	0.5
69.38833	4.6
70.06593	18.6
71.08630	3.0
72.08141	0.9
73.27876	0.6
73.69879	0.5
79.05486	1.4
81.07054	2.1
84.08151	0.5
85.02905	0.9
88.07630	22.8
88.08170	1.2
91.05484	0.8
93.07024	1.2
95.05039	1.0
95.08616	1.4
97.02886	0.7
97.06554	0.5
99.98831	0.6
102.08488	0.9
102.09176	15.6
105.03403	0.6
105.07038	1.2
107.04958	0.6
107.08518	1.2
109.10139	1.2
119.08567	1.0
121.02867	1.1
121.10156	0.9
123.04446	1.7
123.08105	0.5
131.04845	0.6
131.08560	0.9
139.03868	2.7
145.10159	0.8
147.04472	0.7
149.02344	38.0
151.03931	1.0
156.17444	0.7
161.87689	0.5
171.11583	0.6
175.03958	1.2
175.28418	0.5
177.05455	1.1
181.04929	0.6
193.04961	46.1
200.20091	57.3
201.20442	0.6
219.06465	1.4
225.05481	1.4
237.07581	13.4
244.22763	1.2
269.04483	1.3
297.03979	1.9
313.06976	2.6
341.06604	9.8
359.07642	7.8
385.09134	19.2
422.07941	1.1
423.08490	1.3
429.11798	32.3
435.08899	1.2
447.09052	0.7
465.09421	0.9
515.45477	0.6
584.28827	1.7
585.11780	0.6
602.29535	100.0
603.12872	1.1
603.30475	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.25577	3.2
55.02874	2.8
55.05512	25.1
57.07085	17.5
61.47726	3.3
65.03933	6.7
67.05500	39.7
69.03432	20.1
69.07059	30.0
69.30913	29.9
71.04955	4.1
71.08630	5.7
73.42431	2.8
79.05492	42.9
81.03403	16.1
81.07054	51.1
83.04984	21.7
83.08606	19.5
85.06552	7.7
85.10186	3.8
87.04475	3.7
89.06001	4.2
91.05480	68.0
93.07040	80.2
94.07358	5.3
95.04983	34.1
95.08065	4.3
95.08607	45.3
96.08916	3.3
97.06526	14.4
98.20716	5.7
103.05475	5.9
105.07029	100.0
107.04953	6.6
107.08587	79.1
108.08887	3.9
109.06511	13.5
109.10156	43.0
111.08060	5.9
113.09636	8.0
115.05431	6.7
117.06999	25.8
119.06045	3.5
119.08569	99.6
120.08863	4.9
121.06500	13.5
121.10143	87.0
121.11028	4.1
123.08051	18.1
123.11680	13.3
125.09634	15.1
128.06229	11.6
129.07002	19.7
130.07773	5.9
131.08565	41.5
133.06502	7.3
133.08614	6.3
133.10135	57.9
135.08040	21.3
135.11685	23.5
137.09628	11.5
139.11230	7.0
141.07013	8.8
142.07761	22.6
143.08571	35.4
144.09268	12.8
145.10124	65.2
146.10530	6.4
147.07993	13.4
147.11652	23.5
149.09616	19.9
149.13190	5.0
151.07501	8.0
151.11110	5.2
154.07793	4.7
155.08571	17.0
155.10643	8.7
156.09319	17.5
157.10130	54.9
158.10864	7.4
159.08052	14.1
159.11713	38.3
160.05232	3.9
161.05997	5.3
161.09602	14.5
161.13228	12.1
163.11168	8.9
165.07028	6.9
165.09129	13.7
167.08533	8.6
167.10664	56.3
168.09340	10.4
169.10107	27.9
170.10757	7.9
171.11671	36.1
173.05989	7.1
173.09688	5.5
173.13277	21.4
175.11133	15.0
175.14816	20.1
179.08597	9.2
180.09334	6.6
181.10098	17.2
181.12177	3.1
182.10867	10.0
183.11671	24.5
184.12398	5.2
185.09738	4.3
185.13295	18.7
187.11098	8.0
187.14841	13.0
189.12769	9.1
191.14316	6.2
193.10139	12.3
194.10919	7.3
195.11685	25.4
196.12411	7.9
197.13268	23.0
198.13831	3.7
199.11244	4.2
199.14784	13.0
201.12611	3.7
201.16379	8.2
203.14331	7.3
206.10931	6.1
207.11662	14.2
207.13641	6.8
208.12383	7.5
209.13266	25.7
209.15025	4.9
210.14063	7.4
211.14734	13.6
213.12750	6.9
215.14334	7.5
217.15849	3.8
219.11693	4.7
220.12474	4.3
221.13260	15.5
221.15384	25.2
222.13776	4.9
223.14893	16.4
225.16408	8.5
233.13182	8.3
233.15369	28.0
235.14783	10.3
237.12656	4.3
237.16383	7.1
239.17877	3.7
247.14767	10.3
249.16479	8.0
251.17888	8.2
257.18985	3.4
261.16318	6.7
263.17957	4.2
265.19391	3.3
269.19150	9.0
271.13400	5.4
275.20236	5.0
277.19144	3.5
281.19034	4.4
283.20413	4.6
287.20233	4.2
295.20447	4.2
313.27524	10.0
565.39923	4.8
583.40839	11.7
601.42236	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
53.99593	2.2
55.05509	22.4
56.68990	2.1
57.07065	7.0
57.52591	2.7
59.04998	2.7
59.93690	1.9
60.71349	2.2
65.03937	6.1
67.05504	34.9
68.06931	2.4
69.03417	13.0
69.07063	23.7
69.33678	10.8
69.34104	11.0
71.05007	4.2
76.33109	2.2
77.03918	2.6
79.05492	35.1
81.07052	41.6
83.04972	20.4
83.08595	14.3
85.06516	6.8
87.04489	4.1
91.05475	61.8
91.06026	4.6
93.07039	80.4
94.07323	2.8
95.04967	23.9
95.08601	41.5
95.67476	2.4
97.06519	16.7
103.05453	4.4
105.04511	2.8
105.07027	100.0
107.04949	2.3
107.08588	74.7
108.08929	4.2
109.06524	16.9
109.10159	31.7
111.08081	8.2
113.09643	7.5
115.05436	2.9
116.06211	4.5
117.07018	21.4
119.08577	84.1
121.06506	15.0
121.10136	76.3
123.08046	12.8
123.11710	8.4
125.05979	3.4
125.09649	13.7
128.06232	11.6
129.06990	19.3
130.07776	9.0
131.08545	48.7
133.06511	4.0
133.10120	60.2
133.11102	4.0
135.08043	17.0
135.11665	18.1
137.09602	8.3
139.11177	7.5
141.06987	10.8
142.07777	23.7
143.08568	46.8
144.09274	10.0
145.06560	2.4
145.10121	77.1
146.10492	3.2
147.08095	14.6
147.11664	20.8
149.09630	18.4
149.13240	4.7
151.07524	5.2
151.11201	4.3
152.06270	2.7
153.06926	3.2
154.07809	3.8
155.08553	20.0
155.10600	5.7
156.09358	17.3
157.10121	51.4
158.10799	8.4
159.08057	16.7
159.11667	41.9
160.08824	2.7
160.12157	3.5
161.09628	12.1
161.13266	5.7
163.11179	10.3
165.07018	6.7
165.09148	9.2
166.07803	4.9
167.08560	9.4
167.10664	59.9
168.09282	8.0
169.10117	30.0
170.10786	8.7
171.07967	2.6
171.11676	31.9
172.12231	5.6
173.09691	11.0
173.13226	23.1
174.13652	2.4
175.11163	8.4
175.14848	15.5
177.12772	3.0
179.08513	10.4
180.09299	7.9
181.10091	16.7
181.12279	5.2
182.10890	8.2
183.08060	2.9
183.11667	32.0
184.12315	5.4
185.13226	14.9
187.11147	3.6
187.14867	7.9
189.12758	6.8
191.14331	7.8
193.10097	13.3
194.10829	12.6
195.11668	18.6
196.12390	9.8
197.09514	2.7
197.13239	23.8
198.13954	3.6
199.11107	5.5
199.14825	14.2
200.15152	2.5
201.12788	6.8
201.16400	4.8
203.14331	8.2
205.10210	4.1
206.10936	6.7
207.11742	15.3
207.13545	3.3
208.12424	7.1
209.13263	23.7
209.15231	4.7
210.13834	4.7
211.11212	3.5
211.14799	16.1
213.12735	6.3
213.16360	3.1
215.14314	5.6
217.15965	5.5
219.11684	5.2
220.12367	3.2
221.13240	12.5
221.15370	18.0
222.13884	3.5
223.14728	15.5
225.12799	5.0
225.16396	9.8
227.14316	6.1
229.15984	3.3
233.13303	4.4
233.15366	28.4
235.14857	9.3
237.12677	2.9
237.16362	8.2
239.14186	2.8
239.17880	3.5
243.11536	3.3
245.13199	4.3
247.14815	6.6
247.17108	2.9
249.16373	6.3
251.17880	5.7
253.19527	4.1
255.17458	4.6
256.17877	5.3
260.15488	4.6
261.16473	6.6
263.17960	4.8
265.19525	5.2
267.17484	2.8
269.19064	8.8
273.16086	3.0
275.17761	4.7
276.18488	2.7
277.19476	4.5
281.19052	4.6
283.16888	2.3
283.20496	3.9
285.18701	3.5
287.17764	2.6
291.20920	2.8
295.20590	3.3
299.20038	2.4
301.21841	3.8
311.20117	3.0
345.21936	3.0
361.25128	5.5
379.26157	2.2
457.41595	2.5
521.08582	3.0
565.40442	4.8
583.41180	7.1
601.42023	12.6
624.48535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
54.01665	2.7
55.01870	4.7
55.05507	15.3
57.03432	2.6
57.07066	13.1
59.04985	7.1
61.09118	2.2
65.03934	8.0
67.05502	35.9
69.03425	18.1
69.07070	24.8
71.04986	2.8
74.56851	2.3
79.05482	41.2
80.05830	4.1
81.03405	7.0
81.07055	47.0
82.07384	5.0
83.04969	17.9
83.08620	15.0
85.02905	3.4
85.06532	8.7
91.05475	53.4
93.07037	80.8
94.07350	5.2
95.04971	26.1
95.08599	41.2
96.08956	3.2
97.06531	15.0
103.05463	5.2
105.07024	100.0
106.07349	4.5
107.04916	4.4
107.07881	4.9
107.08585	66.5
108.08891	3.6
109.06516	22.3
109.10148	29.7
111.04439	3.0
111.08096	5.8
113.09632	2.9
115.05429	8.5
117.07008	22.2
119.04892	3.4
119.08575	95.0
119.82984	2.7
120.08890	4.2
121.06499	16.9
121.10135	77.7
122.10508	4.6
123.08048	24.5
123.11696	9.8
124.08430	3.0
125.05981	8.0
125.09599	12.7
128.06212	11.9
129.06995	17.6
130.07809	5.7
131.08566	42.5
133.06477	6.4
133.10117	58.3
135.08037	25.9
135.11713	21.2
136.08328	3.5
137.05995	2.9
137.09596	16.4
139.11208	4.4
141.06955	9.9
142.07758	26.2
143.08574	41.6
144.09239	11.7
145.10126	72.9
146.10539	4.9
147.08044	29.2
147.11673	23.5
148.08545	4.4
149.09637	25.0
149.13193	5.5
151.07535	17.2
153.07019	6.0
153.09076	3.6
154.07813	3.7
155.08551	15.9
156.09402	21.0
157.10115	63.7
158.10719	11.1
159.08061	13.6
159.11676	36.9
160.11966	6.9
161.09586	17.5
161.13257	14.2
163.11169	17.2
165.06981	9.9
165.09102	40.3
166.07768	3.1
166.09383	6.2
167.08534	10.1
167.10670	42.9
168.09274	6.9
169.10094	29.5
170.10822	9.2
171.07985	2.6
171.11690	33.6
172.12225	5.8
173.09587	9.5
173.13258	24.4
174.10410	2.5
174.13583	4.1
175.11179	15.4
175.14841	11.9
177.12675	4.9
179.08548	9.8
180.09286	3.5
181.10100	16.2
181.12210	12.4
182.10870	7.2
183.11714	25.7
184.12296	8.3
185.09616	4.5
185.13237	26.0
187.11139	8.0
187.14827	8.6
189.12727	8.0
190.13266	4.4
191.10606	3.4
191.14113	6.1
192.09305	5.3
193.10112	10.5
193.12070	4.1
194.10860	8.4
195.11636	23.9
196.12253	9.6
197.09387	4.2
197.13264	22.8
198.10251	2.7
198.13678	6.7
199.11192	5.5
199.14813	12.5
201.12727	7.8
203.14226	19.6
205.10117	3.6
206.10812	6.0
207.11674	17.6
207.13773	7.5
208.12361	9.2
208.14314	3.9
209.13237	24.6
209.15147	5.4
210.13930	6.1
211.11197	3.5
211.14780	17.3
212.15367	3.5
213.12814	7.5
213.16348	4.3
214.13152	2.7
215.14238	7.0
216.14543	2.8
217.10031	4.3
217.15843	6.4
219.11687	6.2
219.13673	3.1
220.12288	2.8
221.13237	13.6
221.15302	78.8
222.13756	4.5
222.15753	10.7
223.14795	14.8
224.15308	5.0
225.12665	4.9
225.16377	7.8
231.11794	3.5
232.12389	3.2
233.13148	10.1
233.15392	26.0
234.15988	5.3
235.14726	7.9
235.16902	4.2
236.15263	4.3
237.14616	6.5
237.16620	3.9
239.17915	6.1
241.15929	3.9
243.13742	3.2
245.13159	5.2
246.14088	3.7
247.14706	6.7
247.17052	4.1
249.16444	6.7
251.17964	5.0
255.17453	8.8
256.17703	4.3
259.14853	2.8
261.16513	6.0
263.17935	2.9
265.19522	3.8
268.17926	2.9
269.18979	5.4
274.19180	4.0
275.17688	4.0
275.20261	3.1
277.19333	3.7
281.18933	6.9
283.20648	7.6
286.19211	7.4
287.20166	7.0
295.20432	5.7
299.20120	7.0
300.20587	3.9
301.21585	8.5
303.19629	11.0
304.19882	10.1
311.19891	3.7
312.20743	4.3
313.21466	8.4
314.21863	4.1
324.12411	2.7
325.21786	4.7
337.21338	2.9
338.21872	4.5
349.25110	5.9
352.23981	16.9
353.24332	25.3
365.24875	3.1
366.25189	6.5
367.26068	5.0
375.26312	3.3
378.25400	3.1
379.26166	2.7
393.28012	4.1
413.27457	2.8
455.31555	2.9
491.34900	4.3
503.34567	5.8
508.35043	5.3
509.35049	2.8
521.35779	19.2
565.40662	3.1
583.41339	11.2
601.42242	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88213	9.6
53.03939	11.9
55.05504	22.6
57.07054	13.8
67.05511	36.8
68.61829	9.0
69.03408	25.9
69.07079	28.3
69.94620	42.7
74.94621	9.0
76.16940	11.2
79.05484	35.2
81.07044	71.0
83.04971	23.4
83.08622	22.6
91.05479	60.5
93.07033	99.7
95.04966	21.7
95.08615	56.3
97.06521	18.2
105.07010	75.8
105.73876	11.1
107.08575	78.1
109.06487	20.0
109.10158	53.7
117.06999	20.8
119.08567	100.0
121.06577	10.0
121.10146	75.2
123.08073	27.5
125.09644	14.8
128.06137	13.3
129.06982	15.4
131.08569	32.6
133.10156	49.9
134.10588	13.2
135.08066	24.6
135.11684	11.4
137.09621	11.4
142.07785	17.6
143.08548	45.7
144.09174	13.3
145.10101	74.5
147.08067	18.9
147.11658	23.7
149.09636	25.9
151.11140	13.9
155.08537	19.9
156.09322	15.4
157.10114	64.6
159.08026	13.3
159.11717	44.7
161.09583	20.4
161.33536	9.7
163.11073	13.8
165.09131	16.9
167.10648	60.7
169.10120	29.4
170.10706	10.6
171.11732	43.0
172.12161	12.6
173.13245	22.7
175.11186	14.3
175.14836	10.3
181.10129	20.0
181.12149	9.9
182.10660	11.6
183.11726	29.5
185.13222	15.8
187.14853	11.6
191.14275	13.6
193.10213	18.0
195.11696	28.8
196.12512	12.2
197.13184	17.1
207.11644	15.1
209.13286	19.7
211.14705	21.0
215.14360	13.8
221.13281	13.2
221.15382	26.8
222.15715	12.7
222.83376	10.0
223.14772	17.9
233.13235	16.3
233.15384	25.2
271.17191	16.0
475.75980	11.0
487.27570	14.4
601.42633	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1184
Annotation	Spicoside D
Peak:m/z	Relative Intensity
53.03945	0.7
55.01870	0.7
57.03425	0.4
65.03944	0.6
68.99789	0.5
69.03430	1.0
71.01350	0.5
71.04993	0.2
71.18043	0.3
71.43770	0.2
79.01845	0.6
81.03412	5.0
81.03872	0.3
84.27026	0.2
85.02904	1.6
91.05498	0.3
93.03416	0.6
95.04964	0.3
96.82819	0.2
97.02883	2.2
99.04455	0.5
100.92115	0.2
107.01307	0.7
109.02867	2.4
111.00803	0.6
111.04443	1.6
121.02856	2.5
123.04430	0.4
125.02365	0.5
127.03900	2.6
135.04434	0.2
137.02336	100.0
137.03377	5.8
138.02679	0.9
139.03934	0.2
143.03395	0.7
145.04955	0.5
147.04384	0.3
153.01819	15.7
155.03371	1.7
155.04538	0.2
163.03886	0.6
165.01862	1.6
171.02895	1.3
173.05977	0.3
175.03940	0.3
183.02890	0.7
183.04474	0.3
201.05457	1.4
207.06488	0.5
216.62367	0.2
228.04115	0.2
229.04939	2.8
239.05507	0.2
247.06046	0.2
249.11266	0.5
250.11557	0.4
257.04501	1.7
274.04794	0.4
281.06561	1.3
285.03860	0.8
287.05502	8.4
297.06052	0.7
299.07617	5.4
303.04965	59.9
304.05499	1.0
319.04440	0.7
345.06094	0.9
361.44794	0.2
411.07278	0.3
431.10141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1177
Annotation	Kaempferol 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
51.02383	0.6
51.12003	0.4
53.03951	0.5
57.44593	0.4
68.99786	1.0
69.03422	1.3
69.07056	0.5
70.06599	0.6
70.92385	1.3
72.33865	0.5
79.01846	3.3
79.05511	0.5
81.03421	1.4
81.07050	1.1
83.04974	0.5
85.02911	1.9
86.09737	0.5
90.94845	0.4
91.05460	1.0
93.07055	1.0
95.04945	0.6
97.02908	2.6
97.06513	1.0
99.04454	0.8
105.07030	0.9
107.01331	1.2
109.02893	1.6
109.06522	0.7
111.00840	0.9
119.04980	0.5
119.08585	0.8
120.14611	0.4
121.02844	3.5
122.06843	0.4
123.04429	1.4
125.02344	2.8
126.05601	0.5
127.03886	2.0
128.27399	0.4
131.07043	0.4
133.10152	0.5
137.02342	1.8
143.03392	5.7
145.04956	0.6
147.04413	1.0
147.11642	1.0
149.09395	0.4
153.01828	100.0
154.02245	1.0
154.04993	1.1
165.01814	1.9
165.05429	0.6
165.12697	0.5
171.02873	1.0
175.03899	0.7
176.11493	0.5
177.05646	0.5
183.02878	0.7
193.12360	0.5
207.06578	0.7
213.05476	1.1
217.12224	0.8
231.06458	0.7
235.13382	0.6
236.13768	0.5
241.04861	0.9
253.14380	1.5
254.14774	0.5
258.05283	1.0
287.05493	82.9
288.05807	1.3
297.06052	0.9
303.05011	0.8
304.05463	0.6
305.05545	0.7
315.07138	5.1
329.06320	0.5
377.06534	0.5
466.97141	0.6
468.09851	0.5
469.10092	1.2
577.84753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01865	4.6
55.05512	18.5
57.07064	17.0
59.05012	6.7
60.01728	4.2
67.05499	26.7
69.03421	20.5
69.07059	19.4
69.14405	3.4
69.94521	10.9
69.94927	6.7
71.04993	3.8
79.05495	33.6
81.07050	43.0
83.04985	20.4
83.08602	8.2
83.73747	4.1
85.06536	5.0
88.65620	3.5
91.05482	41.3
93.07038	66.3
95.04946	18.4
95.08598	38.9
97.06517	11.8
103.05418	5.3
105.07027	85.8
107.04911	3.4
107.08578	54.6
109.06505	23.9
109.10152	18.8
111.08080	5.4
115.05450	6.7
117.07035	20.8
119.08570	77.2
120.68360	3.5
121.06486	16.2
121.10133	46.1
122.10382	4.1
123.08070	29.2
123.11698	8.0
125.05951	14.1
125.09614	8.4
128.06203	11.8
129.07005	25.3
130.07739	6.7
131.08569	38.4
133.06488	10.2
133.10132	53.0
135.08069	23.4
135.11665	14.8
137.05951	4.2
137.09602	16.8
139.07535	4.7
139.11224	4.2
141.06923	9.3
142.07765	30.2
143.08566	59.4
144.09325	11.4
145.06442	5.4
145.10109	68.6
147.08054	38.1
147.11656	15.8
149.09583	21.1
151.07538	24.0
154.07687	4.7
155.08543	16.1
156.09375	18.9
157.10121	73.5
158.10876	10.5
159.08017	15.9
159.11696	37.3
160.08759	4.5
161.09610	27.6
161.13258	13.4
163.11163	26.1
165.09102	48.6
167.08548	7.0
167.10658	15.5
168.09285	4.4
169.10133	29.8
170.10899	11.2
171.07961	6.8
171.11671	42.2
172.12463	10.1
173.09596	13.3
173.13245	17.5
175.11130	25.6
176.11951	5.6
177.12697	6.9
179.08545	11.3
179.10754	6.4
180.09331	8.5
181.10097	17.2
181.12234	21.1
182.10890	10.1
183.11694	31.5
184.12387	5.5
185.09634	7.4
185.13193	30.4
187.11243	10.6
187.14861	5.8
189.12737	13.5
190.13513	13.1
192.09341	6.6
193.10143	11.2
193.12172	7.7
194.10788	7.6
194.12959	6.0
195.11737	26.3
195.13364	5.6
196.12398	14.2
197.09576	6.2
197.11711	3.9
197.13225	25.7
199.11179	13.0
199.14833	7.9
201.12692	7.6
202.53009	4.5
203.10744	4.7
203.14288	33.5
206.10892	7.6
207.11649	17.3
207.13800	22.3
208.12498	7.9
208.14499	11.3
209.13258	22.9
209.15205	8.7
210.13988	4.9
211.11200	6.5
211.14819	16.1
212.11847	4.1
213.12721	10.9
215.14314	4.6
219.11736	8.4
219.13701	7.5
220.12361	8.1
221.13258	13.7
221.15326	100.0
222.15788	4.8
223.14792	16.3
224.15494	4.2
225.12717	12.1
225.16351	6.8
227.14357	4.1
229.12343	8.4
229.15915	5.0
233.13113	11.5
233.15358	27.4
234.13892	5.3
234.15974	13.6
235.14868	8.9
235.16951	6.2
237.12616	6.0
237.14673	35.1
239.14362	5.5
239.17949	4.8
241.15932	6.8
242.41345	4.0
245.13356	6.9
247.14769	7.1
247.16907	14.5
249.16376	13.3
251.18088	6.8
253.15735	8.0
255.17474	23.7
259.17068	6.1
261.16241	8.1
263.18259	4.6
265.19498	4.7
268.18103	3.9
269.15463	4.1
269.18918	4.4
270.19705	8.2
271.16855	11.0
273.18542	5.2
274.19238	16.8
279.17502	11.4
281.19037	11.8
286.19180	15.3
287.20090	12.4
289.19370	5.1
297.18335	6.8
297.78247	4.1
299.20062	14.3
303.19504	38.2
311.19946	12.8
312.20782	7.3
313.21622	18.7
319.20581	5.3
325.21564	42.3
337.21548	9.8
352.23923	76.8
365.24750	49.7
377.24466	4.4
419.29346	6.1
428.12000	4.1
502.34271	10.8
503.34744	6.2
505.32828	4.9
507.34732	37.5
508.34964	11.9
518.71802	4.5
520.35510	42.6
535.12354	3.6
567.37646	4.8
582.40314	7.7
583.41431	6.3
585.38837	7.8
600.41125	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79312	5.5
55.05497	14.1
57.07060	6.6
65.03944	6.2
65.54236	5.9
67.05499	24.6
69.03421	16.6
69.07057	18.6
71.52769	5.1
79.05479	25.0
81.07062	33.0
83.04971	18.8
83.08612	12.0
85.06530	9.4
89.06052	5.5
91.05478	45.1
93.07037	63.2
95.04961	21.6
95.08594	36.9
97.06537	10.3
105.07027	73.5
107.04956	6.5
107.08585	56.3
107.64695	5.3
109.06499	18.2
109.10141	20.1
113.09624	7.9
117.06986	25.1
119.08579	71.3
121.06515	12.4
121.10138	57.9
123.08054	23.8
125.05994	7.2
125.09607	12.3
128.06210	10.5
129.06992	13.8
130.07675	7.6
131.08569	33.5
133.06519	7.4
133.08601	7.5
133.10126	42.2
134.10419	6.2
135.08022	25.4
135.11644	15.2
137.09598	19.5
141.07008	9.0
142.07765	22.8
143.08560	54.3
144.09325	17.0
145.10109	63.2
147.08037	28.9
147.11703	12.2
149.09625	20.4
151.07541	17.5
155.08589	15.2
156.09364	16.8
157.10092	68.1
158.10921	15.4
159.08041	18.1
159.11697	31.3
160.08789	17.2
161.09599	18.3
161.13318	8.0
163.11171	21.1
165.09088	39.0
167.08502	10.3
167.10680	18.3
168.09389	8.5
169.10083	26.7
170.10930	16.3
171.11700	31.7
173.09631	14.3
173.13260	12.0
175.11168	28.3
179.08568	9.4
181.10127	13.5
181.12228	18.4
182.10889	9.8
183.11693	22.2
185.09645	6.3
185.13251	21.7
187.11075	8.4
189.12746	13.3
190.13460	10.3
193.10059	15.5
193.12135	9.6
195.11676	15.8
196.12294	6.6
197.13252	19.5
199.14984	7.2
201.12782	9.2
203.14305	26.8
207.11740	9.7
207.13786	13.2
209.13203	18.7
211.11339	7.6
211.14745	12.6
212.11986	6.5
213.12820	13.0
221.13240	13.6
221.15314	85.8
223.14854	13.3
225.16368	7.5
233.15347	24.2
234.15918	13.2
235.14784	11.5
237.14752	35.7
241.15880	8.5
247.16998	10.7
253.15862	10.5
255.17479	20.3
271.17041	8.1
274.19351	10.3
275.17719	7.1
281.19009	5.9
286.19226	17.9
287.20111	13.0
299.20068	10.1
303.19604	42.0
304.66418	7.3
306.90430	5.6
313.21542	8.6
325.21643	19.0
337.21509	8.5
352.23959	100.0
365.24664	21.0
377.24396	7.7
383.25540	6.3
409.77783	6.5
496.11185	6.5
502.34497	6.8
507.34521	9.1
508.34805	17.9
520.35364	44.3
600.40894	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.05489	18.0
57.07059	18.5
59.04978	7.0
62.91099	4.6
65.03896	4.5
67.05502	28.7
69.03415	19.4
69.07070	19.7
79.05491	33.8
81.07040	43.6
83.04957	14.3
83.08616	4.8
85.06538	9.1
90.41707	3.4
91.05471	52.6
93.06494	5.6
93.07035	68.0
95.04973	24.1
95.08599	38.6
97.06511	14.1
103.05445	5.9
105.06310	6.2
105.07019	100.0
106.52288	3.7
107.04942	7.0
107.08572	53.9
109.06516	24.1
109.10157	21.7
111.08058	10.5
114.58031	3.7
115.05449	8.2
117.06996	28.0
119.08564	81.7
120.09385	4.9
120.16858	3.7
121.06482	17.8
121.10138	51.7
123.08067	34.3
125.05948	9.8
125.09572	5.1
128.06192	16.6
129.06975	28.1
130.07767	12.9
131.08560	48.4
133.06461	11.7
133.10110	48.4
135.08047	31.7
135.11688	11.7
137.09581	19.3
139.07513	11.1
139.11105	5.3
141.06956	9.2
142.07779	34.7
143.08549	62.1
144.09273	14.5
145.10117	81.3
147.08035	45.5
147.11671	20.3
148.08812	5.9
149.09628	19.9
151.07484	25.3
155.08531	20.6
155.10657	4.8
156.09294	18.1
157.10121	92.6
158.10905	9.4
159.08005	19.5
159.11670	37.9
160.08757	4.3
161.09615	26.5
161.13286	10.3
163.11221	23.9
165.06993	6.1
165.09105	56.0
167.08492	9.9
167.10663	16.6
168.09366	6.6
169.10074	32.5
170.10858	9.7
171.08060	5.7
171.11649	39.1
172.12488	7.7
173.09607	15.6
173.13252	16.0
175.11192	26.5
176.11987	5.8
179.08514	12.8
179.10725	6.2
180.09399	5.6
180.11349	3.9
181.10106	14.9
181.12146	17.4
182.10757	9.6
183.11739	24.9
185.09572	7.8
185.13219	21.8
187.11174	16.7
187.14809	7.9
189.12701	15.1
190.13441	16.4
191.14229	5.0
193.10118	15.8
193.12183	12.3
194.11015	9.8
194.12936	5.8
195.11673	27.3
195.13582	7.4
196.12517	6.6
197.09650	10.0
197.11601	8.0
197.13293	26.0
199.11137	12.9
199.14842	10.7
201.12663	11.7
203.14285	33.2
205.10112	7.1
206.10910	6.3
207.11661	22.8
207.13791	27.7
208.12401	9.6
208.14523	9.6
209.13196	21.9
209.15173	8.8
210.13873	5.1
211.11073	11.3
211.14830	13.7
212.11729	4.3
213.12692	16.2
215.14345	6.6
218.10881	6.0
219.11649	10.4
219.13676	6.0
220.12480	7.9
221.13231	12.1
221.15324	91.3
223.11116	8.1
223.14825	14.6
225.12746	7.3
225.16272	7.6
227.14340	5.5
231.11705	4.4
231.13762	5.7
233.13287	9.6
233.15332	29.4
234.13905	5.7
234.16043	14.5
235.14954	8.6
237.12613	8.8
237.14589	33.8
240.14954	4.5
241.15884	7.6
246.13991	5.6
247.14746	9.6
247.16975	14.6
248.13885	4.4
249.12834	5.7
249.16269	12.4
255.17381	19.4
259.16959	5.2
261.16257	7.2
263.14282	6.5
265.16019	6.5
270.19772	4.7
271.17017	12.0
274.19339	8.9
279.17279	8.3
285.18567	6.4
286.19180	21.1
287.20032	16.6
295.20554	4.9
297.18320	7.1
299.19977	15.1
303.19495	45.8
307.20523	4.5
309.18439	7.2
311.20044	11.8
312.20767	11.4
313.21518	19.2
325.21643	38.3
337.21582	8.6
352.23947	76.0
359.23145	5.7
365.24759	45.2
377.24771	5.3
378.25583	4.2
383.25687	4.2
391.26178	5.5
396.09369	4.0
439.28152	6.1
502.34323	13.8
503.35037	11.3
507.34610	31.5
508.34848	7.8
520.35425	37.7
582.40967	5.9
583.41101	5.4
587.26984	4.2
600.40021	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43095	0.6
54.80819	0.7
60.71133	0.7
69.65105	0.7
70.07659	2.8
79.60339	0.7
85.02899	1.1
91.05437	1.3
97.02865	0.9
98.20890	1.0
100.01188	0.6
103.37460	0.8
105.07051	0.9
107.04961	0.8
115.05438	1.0
117.07018	1.8
128.06190	1.9
129.06981	5.9
131.08537	6.4
133.06465	0.7
141.06990	1.6
143.08539	1.4
143.61716	0.7
144.05663	1.5
145.06456	1.6
147.04359	0.8
153.06895	1.0
154.04977	1.6
157.06465	2.8
158.07240	0.9
159.08064	12.8
161.09604	2.4
167.07054	1.4
169.07635	0.9
170.07281	2.5
171.08034	2.8
172.05177	1.2
173.05984	1.6
175.07544	0.9
187.07536	6.8
188.08138	0.9
189.05463	0.8
189.09094	2.6
190.06374	0.8
199.07524	1.1
203.06960	2.0
204.07835	4.2
216.07835	1.5
219.10213	3.3
221.11615	1.9
231.10149	3.1
233.11749	1.6
234.08794	0.8
245.52681	0.8
249.11203	100.0
250.11504	2.0
251.12801	1.9
267.12326	3.0
287.05612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98454	0.6
53.03918	1.7
55.01841	1.2
55.05508	5.4
57.03413	1.1
57.07072	5.9
58.06068	0.7
59.04967	3.1
67.05500	9.3
68.78122	0.6
69.03426	7.5
69.03783	1.1
69.07041	2.9
70.22305	2.1
70.22704	1.3
71.04947	0.7
74.59972	0.6
79.05492	8.8
81.03377	2.8
81.07052	13.0
83.04987	3.3
83.08571	2.1
85.06538	3.6
91.05476	12.8
93.07040	20.5
95.04956	6.5
95.08597	12.3
97.06525	3.3
103.05438	1.5
105.06319	1.2
105.07025	22.5
107.04919	1.5
107.08575	12.4
109.06498	5.9
109.10150	6.6
111.08035	2.0
115.05408	1.0
117.06995	4.8
119.04869	0.7
119.08574	22.4
121.06509	4.7
121.09344	1.0
121.10136	14.2
122.07276	0.9
123.08069	10.4
125.05946	2.9
125.09611	1.8
127.03796	0.8
128.06207	1.5
129.07010	4.1
130.07780	1.6
131.08560	10.7
133.06450	2.5
133.10126	12.5
135.08041	10.9
135.11678	4.6
137.05971	1.0
137.09622	11.3
139.07510	2.4
141.06964	2.4
142.07767	6.0
143.08556	10.7
144.09299	2.2
145.06483	1.5
145.09062	1.2
145.10109	15.8
147.04367	0.9
147.08031	23.6
147.11690	4.0
149.09599	3.5
149.13181	0.7
151.07541	9.1
153.06958	1.2
155.08617	4.6
156.09320	3.8
157.10127	16.7
158.10866	1.0
159.06813	0.6
159.08057	2.4
159.10481	0.8
159.11702	10.0
161.09587	5.1
161.13251	5.1
163.11180	7.7
165.06973	1.3
165.09100	47.4
167.08540	2.0
168.09331	2.7
169.10123	6.8
170.10909	3.2
171.08093	0.7
171.11671	9.6
173.09581	2.9
173.13223	4.0
175.11153	3.1
175.14775	2.2
177.09059	2.4
177.12714	1.0
179.08540	1.9
179.10741	0.9
180.09383	0.8
181.04906	5.2
181.10158	3.8
181.12251	6.8
182.10928	1.4
183.11676	10.3
183.87350	0.8
184.12428	0.8
185.09601	1.6
185.13235	6.3
187.11142	3.0
187.14793	2.2
189.09114	1.1
189.12712	3.8
191.10593	2.8
191.14342	0.9
193.10080	2.7
193.12119	1.7
195.11659	5.5
195.13586	1.5
196.12462	1.7
197.09541	0.9
197.13239	5.6
198.10300	0.8
199.11182	2.5
199.14761	2.0
201.12773	1.9
201.16316	1.1
203.14302	17.2
206.10847	1.0
207.11658	2.3
207.13780	5.1
209.09622	0.8
209.13293	4.5
209.15012	1.2
211.11220	2.2
211.14812	5.9
213.12762	2.1
215.14233	1.3
217.12379	1.2
217.16016	1.0
219.11731	0.8
221.15349	100.0
223.11285	0.9
223.14818	1.3
225.12756	1.8
225.16342	1.7
227.14426	1.0
229.12241	1.2
229.15985	1.6
231.13922	1.3
233.13351	1.7
233.15344	2.6
235.14778	1.9
237.12631	1.0
237.16383	1.2
239.14314	1.2
239.17867	0.9
240.15193	0.9
241.15898	1.0
247.14569	1.4
247.16934	15.9
249.16457	1.3
253.15808	1.3
265.15796	1.5
269.18958	1.3
271.16904	1.2
279.17480	0.9
281.18918	1.4
286.19241	1.5
287.20139	7.2
299.20053	4.6
301.21570	1.8
309.18338	1.0
311.20126	1.6
312.20673	1.0
313.21710	1.6
325.21680	1.0
327.23312	1.7
353.18503	0.7
365.21030	0.8
365.24612	4.1
373.25183	1.6
391.26279	9.5
413.26923	1.3
419.29474	3.4
427.28430	6.0
441.29901	0.9
453.30066	1.2
476.47861	0.8
507.34677	8.6
519.34503	2.6
581.40051	1.9
599.13922	1.6
599.40900	57.0
600.41339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01869	1.8
55.05513	8.3
57.03423	2.0
57.07068	7.0
59.04977	2.2
65.03925	3.3
67.05502	14.1
69.03422	10.4
69.07049	8.7
69.27751	12.7
71.04986	1.4
79.05491	14.1
81.03415	3.2
81.07050	18.7
83.04985	9.2
83.08610	6.0
85.06531	7.4
86.45095	1.4
91.05469	24.8
93.07037	30.2
95.04967	13.3
95.08601	16.8
97.06519	4.9
97.10207	1.8
98.20844	3.2
103.05442	2.4
105.07025	42.5
107.04988	2.9
107.08588	29.4
109.06521	9.2
109.10150	10.3
111.08100	2.1
115.05468	3.4
117.07001	7.9
119.08570	35.3
119.09373	2.4
119.50089	1.5
121.06502	10.8
121.10134	30.6
123.08050	12.9
123.11697	3.0
125.06011	2.5
125.09623	5.2
128.05406	1.4
128.06207	7.9
129.07004	10.8
130.07805	3.9
131.08566	19.2
133.06497	3.3
133.10123	20.4
135.08051	14.1
135.11705	5.7
137.05998	1.8
137.09575	7.2
139.07498	2.2
141.06999	5.7
142.07803	11.6
143.08568	25.4
144.09320	7.3
145.06467	2.7
145.10114	24.8
146.86453	1.4
147.08043	15.0
147.11693	7.0
149.09627	15.0
151.07526	13.2
151.11136	2.9
153.07037	2.5
153.09143	1.8
154.07816	2.2
155.08560	9.2
155.10629	1.3
156.09320	11.7
157.10112	29.4
158.10939	5.1
159.08037	10.6
159.11678	16.4
160.08850	2.0
161.09583	11.9
161.13281	4.4
163.11116	6.9
165.06985	3.5
165.09105	24.0
166.07814	1.6
167.08582	5.4
167.10680	16.0
168.09378	4.1
169.10120	15.8
170.10982	3.6
171.11659	17.7
172.12523	1.5
173.08272	1.6
173.09589	6.0
173.13225	10.0
175.11200	6.9
175.14839	3.9
177.09129	3.1
179.08595	4.8
180.09363	2.8
181.10132	9.0
181.12268	5.6
182.10951	4.1
183.11691	13.7
185.09590	2.2
185.13269	8.9
187.11212	4.1
187.14799	2.6
189.12723	8.1
191.14380	3.9
192.09357	1.9
193.10194	7.4
193.11975	1.8
194.10892	3.8
195.11659	11.4
195.13545	1.9
196.12512	3.0
197.09721	2.6
197.13261	13.2
199.11171	4.1
199.14850	4.6
201.12704	3.8
203.14323	9.6
206.10931	3.1
207.11725	9.0
207.13844	10.6
208.12451	4.0
209.13275	12.3
209.15353	3.0
211.11214	3.8
211.14853	4.9
213.12801	3.3
213.16461	1.3
215.14407	3.9
217.15929	1.6
218.10872	2.3
219.11662	3.6
219.13707	2.3
220.12552	2.7
221.13274	7.0
221.15318	41.7
223.11224	2.9
223.14810	8.1
225.12791	5.0
225.16409	4.0
227.14288	2.7
229.12230	1.6
231.11705	3.0
232.12372	1.9
233.13269	4.8
233.15346	32.3
234.14017	1.8
235.14795	4.9
235.16936	2.2
237.12683	2.0
237.14594	2.6
237.16621	2.7
239.14307	2.5
241.15987	2.4
247.14818	5.5
247.17099	2.3
249.16481	2.2
251.14291	1.9
253.16086	1.8
257.15576	1.6
257.18939	1.6
258.13910	1.4
259.14648	2.2
261.16330	2.7
263.14120	1.3
263.18106	2.3
265.15851	2.3
269.18900	1.5
273.16370	2.1
275.17911	1.6
277.19379	1.8
281.18985	10.8
285.18768	1.8
286.19333	1.9
287.20139	3.0
289.19522	2.0
293.19107	1.3
295.20813	1.5
299.20062	4.4
311.20065	3.3
347.23892	1.4
349.21497	1.3
364.23843	2.8
365.24728	4.4
373.25568	1.7
377.24738	1.6
391.26541	2.9
396.94534	1.4
401.27222	1.5
423.29236	1.7
441.30026	3.1
452.52713	1.3
489.33649	3.8
493.32953	2.1
507.34671	76.6
508.35275	2.4
520.35626	1.6
563.38635	2.1
581.40094	5.5
599.40936	100.0
600.41199	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	599.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35704	3.3
51.29310	3.3
53.03939	8.7
55.01864	15.1
55.05299	3.3
55.05511	31.0
57.03441	17.7
57.07074	11.7
59.05003	4.3
59.18502	2.8
59.41713	2.7
59.91179	3.0
63.89973	2.8
65.03945	4.1
65.65308	2.7
67.05504	100.0
69.03426	32.6
69.07066	14.5
69.92669	3.0
71.01357	5.7
71.04995	12.1
71.40163	2.7
73.02905	3.7
74.51671	2.8
79.05491	30.8
81.03415	77.7
81.07050	40.2
83.04979	19.7
83.08608	16.1
85.02915	17.6
91.05483	46.4
93.07041	30.2
93.27184	2.9
95.04958	23.7
95.08605	26.9
97.02900	29.7
97.06535	7.6
97.10163	19.2
99.04432	6.9
105.07027	30.1
107.04962	8.9
107.08594	26.9
109.02896	9.1
109.06516	6.1
109.10153	75.6
110.10412	3.5
111.04449	10.6
111.08086	10.1
115.03884	3.9
117.07027	9.9
119.08578	29.5
121.06490	6.2
121.10136	19.1
123.11699	4.5
125.09641	21.4
127.03928	8.6
127.11144	3.6
129.05438	3.2
129.06999	12.3
131.08568	14.9
133.10147	16.8
135.04408	3.2
135.08040	9.0
135.11697	8.6
137.09602	10.6
142.07809	5.9
143.03394	9.0
143.08574	6.8
145.10124	16.0
147.08061	7.7
147.11702	9.7
149.09666	9.3
149.13300	4.3
149.32451	3.0
151.07520	3.6
151.11263	4.0
157.10172	18.3
159.11726	8.1
163.11195	7.8
165.09128	9.3
167.08739	3.3
167.10661	4.9
169.10176	7.3
171.08008	3.7
171.11667	9.2
173.09633	5.4
173.11755	22.9
173.13120	5.5
175.11162	8.8
181.05008	4.3
183.06390	3.6
183.11768	4.2
185.13199	3.8
189.11243	8.1
189.12767	4.5
193.10379	4.1
193.12285	10.9
197.13362	3.8
204.36818	3.5
209.11673	5.7
211.13257	5.1
220.33165	3.1
221.15407	11.0
227.12788	10.1
229.14247	5.5
233.15434	8.3
245.13667	4.8
267.15726	4.0
299.15030	5.0
355.17679	5.4
410.07452	3.4
443.81516	3.6
445.13101	3.9
455.09579	4.2
507.34671	10.4
535.12811	3.5
539.11670	5.9
581.29181	3.8
599.13721	8.1
599.30426	28.3
599.40729	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20200	4.4
55.01849	6.7
55.05514	8.5
57.03440	4.6
57.68948	4.9
65.16528	5.1
67.05496	16.3
69.03414	20.9
69.07066	14.3
71.04980	11.2
71.05586	11.8
73.02884	5.7
79.05480	21.1
81.03416	31.7
81.07055	46.4
83.04977	24.3
83.08625	7.8
85.02899	19.6
85.07658	19.1
91.05476	16.0
93.07047	54.1
95.04971	17.0
95.08611	21.5
97.02922	8.0
97.06518	31.0
99.04463	17.7
105.07006	33.7
107.04967	6.8
107.08607	28.9
107.68322	5.4
109.02850	34.4
109.06525	18.0
111.08058	17.9
113.05971	13.8
114.01785	5.5
117.07009	5.8
119.04959	5.5
119.08589	20.1
121.06503	48.3
121.10128	8.4
121.28817	4.6
123.04440	26.6
123.08063	6.8
125.05988	16.1
127.03925	39.2
127.07546	11.8
131.07045	8.7
131.08556	6.5
133.10143	18.4
135.08046	11.8
137.02322	7.7
139.07532	18.4
143.07039	21.4
143.08603	8.5
145.10118	6.7
147.08017	8.2
147.11690	60.3
151.11229	6.1
153.01819	8.4
154.04973	17.4
157.08600	18.6
157.10118	19.8
161.13274	7.2
165.12756	23.7
169.12355	6.6
171.11684	19.0
173.09619	11.1
175.11226	36.7
187.05945	9.4
189.12686	29.3
193.12228	38.7
197.24275	5.4
199.11137	26.7
205.07016	7.1
207.13812	16.9
211.13361	25.0
217.12207	78.1
235.13269	100.0
253.14359	95.4
271.15411	13.9
279.04843	6.6
289.16284	5.8
303.05023	40.0
335.13547	6.5
356.06339	5.5
361.16632	6.4
379.17538	17.6
397.18576	16.7
407.07507	11.1
415.19473	8.5
450.56207	5.7
467.09592	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	599.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.53851	0.4
55.01867	0.5
55.05495	1.9
55.86606	0.4
57.01542	0.4
57.03426	0.9
59.06141	0.6
65.47987	0.4
67.05509	4.0
69.03419	1.7
69.07056	1.5
69.37687	2.0
69.38113	1.4
71.04983	0.4
72.38383	0.4
79.05485	2.2
81.03406	2.6
81.07056	4.1
83.04980	0.9
83.08625	0.5
85.02908	1.0
91.05448	2.3
93.07020	2.7
94.07375	0.4
95.04946	1.1
95.08614	2.8
97.02880	1.1
97.06522	0.9
97.10195	0.8
99.04459	0.6
103.05432	0.5
105.07011	3.2
107.04982	0.7
107.08584	2.9
109.02890	0.6
109.06492	1.0
109.10139	3.0
115.05466	1.3
117.05728	0.6
119.08558	2.7
121.02885	1.1
121.06484	0.7
121.10123	2.7
123.04405	0.6
123.08025	0.8
123.11733	0.5
125.09628	0.8
127.03891	0.5
128.06288	0.5
129.06987	0.6
131.04933	0.6
131.08569	1.0
132.08080	1.7
133.10141	1.6
135.08049	1.2
135.11726	1.2
137.06012	1.0
137.09642	1.3
143.07443	0.6
143.08588	0.5
145.10139	1.5
146.06001	0.8
147.04422	0.9
147.08063	0.6
147.11674	1.5
149.02376	0.8
149.09628	0.7
149.13252	0.6
151.07501	0.4
157.10144	1.1
158.05997	0.6
159.06802	0.8
159.08043	0.7
159.11732	0.7
160.07579	17.2
161.09644	0.7
163.03932	0.5
163.11188	1.1
165.09074	2.5
167.03410	1.9
167.07109	1.0
167.10666	0.5
170.06055	0.7
171.06799	2.1
171.11703	0.5
173.11604	0.5
173.13290	0.8
175.03931	0.6
175.07486	0.5
175.11182	0.6
181.12224	0.5
183.11601	0.4
184.07599	1.0
185.07159	2.1
187.08640	0.9
189.16232	0.4
195.08141	0.5
197.07127	0.8
198.07843	3.7
199.08690	4.0
199.14781	0.5
200.09428	4.6
201.10269	3.4
211.08688	0.7
213.10287	0.7
220.11722	0.4
222.07861	0.5
224.09416	0.6
237.10222	8.9
249.10196	0.6
251.06888	0.7
251.11682	1.0
252.12549	7.0
253.08643	0.5
263.11862	1.0
269.04837	0.6
270.05341	0.7
271.09665	1.5
278.14117	0.7
283.20392	0.5
285.07565	1.3
297.09225	0.6
301.21652	0.8
309.08975	0.9
325.08664	1.0
327.06253	0.5
343.06036	1.2
345.08630	0.9
347.10168	3.2
349.09695	0.5
353.08115	2.2
357.07663	1.1
367.10312	0.4
371.05475	2.0
372.06400	0.6
381.07663	4.0
382.08441	0.5
384.06332	0.6
391.10675	0.6
395.09778	0.6
399.08640	7.9
405.12094	0.7
405.85419	0.5
408.11102	0.6
409.11871	2.0
421.11768	3.0
424.14093	0.9
425.14810	2.2
507.13605	0.6
523.13031	0.5
524.13513	0.8
534.12354	0.6
541.12146	0.5
551.12427	1.0
552.13306	2.4
553.13428	1.0
565.03748	0.5
565.13312	0.5
570.14355	4.4
571.14484	0.7
581.16992	1.2
599.18115	100.0
599.33826	2.6
600.18494	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	599.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02368	0.6
53.03948	1.9
55.01868	0.4
55.28630	0.3
63.02375	0.3
67.05483	0.4
69.03417	0.5
69.84286	1.5
73.99000	0.2
77.03922	0.6
79.05490	1.7
81.03411	0.7
81.07051	0.4
85.02894	0.5
89.23212	0.3
89.97971	0.3
92.02608	1.2
92.36054	0.2
93.03417	0.2
93.07014	0.4
95.04961	3.2
95.08607	0.3
97.02888	0.4
99.80440	0.2
105.03400	0.4
105.04507	0.9
107.04949	0.8
109.02899	0.4
111.00786	0.5
117.06960	0.3
119.08561	0.3
121.02850	0.7
121.10120	0.6
123.04448	0.3
127.03992	0.3
135.04407	100.0
136.04776	0.5
137.02332	2.2
137.05937	0.4
140.77553	0.2
153.01825	1.5
153.05464	1.5
161.05893	0.4
161.48308	0.3
163.03928	0.5
163.07501	0.3
165.01855	0.7
167.07056	0.4
172.64069	0.3
183.02824	0.3
193.08595	0.5
201.05479	0.6
209.08188	0.3
211.09500	0.4
212.96136	0.3
224.11070	0.3
229.04935	2.1
245.04698	0.3
247.06082	0.6
249.09035	0.3
257.04462	0.9
274.04614	0.3
285.03897	0.4
286.04819	0.3
297.09637	1.5
301.06937	0.3
303.04962	41.7
304.05405	0.4
340.29916	0.3
345.06027	0.6
408.89410	0.3
546.86627	0.3
599.26373	0.8
608.93384	0.3
615.52655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03944	1.8
55.01856	0.5
67.05504	0.4
68.99793	0.4
69.03418	0.5
71.51249	0.3
77.03916	0.3
79.05487	2.4
81.03413	0.6
81.07047	0.5
85.02908	0.6
86.22964	0.2
91.05458	0.6
92.02614	1.1
93.03384	0.3
93.07023	0.3
95.04952	4.0
95.08580	0.5
97.02866	0.4
105.03394	0.7
105.04492	0.8
105.07018	0.5
106.04130	0.4
107.04941	0.8
107.08566	0.4
109.02868	0.5
110.54370	0.2
111.04408	0.3
119.04902	0.3
121.02866	0.7
121.06473	0.3
121.10133	0.4
122.77972	0.2
123.04380	0.2
125.05939	0.2
127.03919	0.3
131.08461	0.2
135.04401	100.0
136.04718	0.9
137.02333	3.6
137.03360	0.2
137.05937	0.7
138.03188	0.3
145.10118	0.3
147.04424	0.3
147.11697	0.2
151.03949	0.2
153.01845	1.6
153.05453	1.2
163.03865	0.5
165.01816	0.9
167.07034	0.4
174.68852	0.2
175.03992	0.2
181.04991	0.2
182.78831	0.2
183.02850	0.5
193.08592	0.2
201.05457	0.9
207.06517	0.2
209.08092	0.3
211.09718	0.4
229.04893	2.0
236.51938	0.2
247.05995	0.2
257.04391	1.4
269.59308	0.2
274.04727	0.4
279.08649	0.3
285.03885	0.7
285.11197	0.3
286.04675	0.5
297.09668	1.6
301.06973	0.7
303.04956	41.7
304.05313	0.7
315.04752	0.3
345.05829	0.5
359.14993	0.5
436.94113	0.2
437.21365	0.8
463.76993	0.3
599.26318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
57.03428	1.2
61.02911	2.0
69.03420	3.3
69.55257	9.4
79.05488	4.3
81.03418	16.5
81.07063	1.3
83.05010	1.5
85.02905	11.4
91.05469	4.9
95.04987	2.2
97.02898	4.3
103.05473	2.2
105.07028	2.1
107.04939	11.9
109.02895	1.9
115.05428	7.5
117.07011	17.0
118.04059	1.3
123.04408	5.5
125.14326	1.2
127.03883	2.3
127.11620	1.3
129.06989	4.4
130.04219	1.5
131.04909	2.3
131.08545	3.4
133.06459	2.0
137.05966	2.9
138.05495	1.2
139.04037	1.3
141.07011	1.7
144.05702	2.2
145.04950	2.7
145.05151	1.9
145.06473	41.2
145.10104	2.1
147.04367	2.5
147.08052	1.7
149.05989	1.5
152.04651	1.7
155.06020	5.3
156.05673	7.8
157.06563	1.7
159.08034	7.2
161.05969	4.6
163.03943	1.3
166.03871	1.3
167.07037	51.6
168.07375	2.4
173.05983	60.2
175.03850	1.9
175.07547	2.2
177.05466	2.8
180.08728	3.5
183.06720	1.7
184.05161	2.3
187.07515	8.9
190.06253	34.8
191.06938	3.6
193.08607	2.8
195.06480	1.6
202.06271	4.2
203.07042	7.5
205.08601	100.0
206.09036	1.9
207.06442	2.4
217.08595	44.2
219.08081	2.1
219.10156	4.3
223.09653	3.6
235.07320	1.4
235.09641	28.1
247.09743	8.1
265.10733	26.5
271.09607	2.0
277.08679	1.7
281.54153	1.3
286.56577	1.3
291.09946	1.8
293.08206	1.2
315.08557	6.7
315.13208	1.4
328.77328	1.4
330.11014	6.2
331.11783	4.1
339.12384	1.6
344.58505	1.4
351.12207	4.8
356.12418	1.6
371.14795	2.3
383.15039	12.6
401.16028	11.5
598.20490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01868	2.2
55.05507	7.8
57.03442	13.7
57.07083	1.6
61.02934	1.9
67.05514	14.0
69.03427	4.4
69.07074	18.2
70.84022	4.2
71.04991	85.5
73.02914	2.9
75.04479	4.0
79.05502	8.8
81.03417	4.5
81.07064	20.5
83.04989	10.1
83.05397	1.4
83.08627	5.8
85.02904	100.0
86.06068	1.8
86.58663	1.3
87.04478	2.7
91.05489	11.0
93.07040	20.9
95.04954	3.5
95.08606	21.7
97.02886	3.4
97.06522	2.2
97.10179	6.2
99.04469	3.5
100.55289	1.5
103.05476	1.4
105.07027	27.5
105.07702	2.1
107.04945	1.6
107.08595	22.5
109.02857	1.4
109.06510	2.3
109.10159	16.5
111.04449	4.7
111.11723	9.4
117.07018	4.1
119.08579	39.2
121.02880	2.4
121.10154	24.5
123.04414	3.4
123.08120	2.2
123.11679	12.9
123.12312	1.2
125.09668	2.3
127.03915	5.5
127.51871	1.5
129.05470	33.2
129.06963	2.1
131.04976	2.3
131.08566	8.2
133.06520	1.5
133.10123	15.3
135.08052	2.7
135.11685	20.8
137.05989	2.5
137.09679	1.9
137.13235	6.7
139.03967	1.5
139.11246	2.2
143.08554	3.7
144.08084	1.6
145.05008	3.6
145.10106	10.1
147.06523	6.6
147.11667	26.9
149.09651	2.0
149.13243	16.5
154.02492	1.4
157.10095	3.3
159.11697	10.9
160.07635	1.6
161.05933	1.9
161.09616	2.0
161.13219	13.1
162.64061	1.6
163.14810	19.5
163.28877	1.4
165.05409	1.5
167.07021	2.6
167.43150	1.3
171.11667	3.4
173.09592	1.7
173.13286	10.0
175.14824	21.8
177.16403	5.3
179.14296	1.9
183.11684	2.0
185.13300	2.6
187.14812	8.1
189.16353	7.5
199.14786	3.9
201.16345	6.8
203.17957	2.0
213.16302	2.7
215.17952	5.1
227.17912	6.5
228.18761	1.9
229.19510	3.5
249.66064	1.6
269.22598	2.6
271.24194	73.9
273.25745	5.9
289.25394	6.6
354.09021	1.6
354.13589	1.4
381.27814	1.7
383.09076	3.1
417.29898	3.3
597.16534	3.9
597.34155	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	597.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.9
55.01861	5.9
55.05507	32.5
57.03426	11.5
59.04993	3.1
65.03927	4.3
67.05505	100.0
69.03423	18.6
69.07071	14.1
69.39572	6.9
69.39989	15.4
70.93859	2.6
71.01308	2.6
71.04982	4.4
79.05492	60.9
81.03417	61.0
81.07057	49.5
83.04968	38.2
83.08620	17.3
85.02884	10.8
85.06539	4.5
91.05478	55.0
93.06486	4.2
93.07041	49.2
95.04970	16.9
95.08604	26.6
97.02887	14.1
97.06525	10.5
97.10146	18.5
99.04448	7.7
100.63861	3.4
105.07033	36.0
107.04936	8.6
107.08601	28.7
109.02880	12.7
109.06486	6.3
109.10154	57.7
111.04414	11.8
111.08079	5.1
114.19598	2.9
117.07004	10.6
119.04892	3.1
119.08585	26.5
121.06509	3.2
121.10119	7.3
125.09633	16.4
127.03912	13.7
128.06174	2.9
129.05469	10.3
129.06981	15.8
130.07843	2.9
131.08543	5.2
133.06499	3.9
133.10110	10.1
135.08054	3.2
135.11694	6.5
137.09712	2.9
143.08516	8.5
145.10089	10.4
147.08069	2.9
147.11685	28.1
159.11711	4.8
161.13246	6.8
163.11212	6.3
171.11691	23.6
173.11740	18.3
181.04935	3.8
189.11168	12.8
189.12756	8.4
207.13789	27.6
211.13333	2.5
227.12743	13.2
229.14342	10.6
245.13884	3.2
263.12717	3.0
281.17502	43.3
283.15292	5.8
299.14810	9.1
349.38132	3.3
352.31952	2.7
355.17377	5.2
371.16522	3.5
373.18616	33.2
435.27438	71.2
453.24762	6.3
517.27966	2.9
579.31610	56.4
579.40411	2.0
597.38220	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	596.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.6
55.01875	13.0
55.05500	37.8
55.91830	7.7
57.03432	24.2
57.07064	8.7
61.88970	8.5
66.98076	10.1
67.05496	69.7
69.07068	29.2
79.05494	71.9
81.03420	61.0
81.07054	69.5
83.04976	10.5
83.08624	31.0
85.02892	18.3
88.78871	6.8
91.05479	100.0
93.07028	57.4
95.04967	37.9
95.08611	48.2
97.06535	8.7
105.07036	87.9
107.08603	39.4
109.06528	7.7
109.10163	14.8
111.04438	9.3
111.08061	9.8
117.06991	17.2
119.08566	61.8
121.10146	33.0
124.98690	7.2
129.06976	22.6
130.82007	7.4
131.08572	29.4
133.10136	45.1
135.11702	12.7
142.07726	7.3
143.08594	9.6
145.10149	20.9
147.11703	51.1
149.09628	8.0
149.13257	16.9
157.10115	28.1
159.11681	22.4
161.13269	25.1
170.61098	7.9
171.11797	8.4
173.13275	12.6
175.11128	17.1
181.04977	7.6
193.12198	42.5
211.13278	43.1
221.54495	7.7
225.50349	8.9
233.10779	26.8
234.11517	16.5
241.19444	21.3
259.20609	55.0
267.15942	23.7
285.16891	51.6
333.24194	41.0
369.73975	8.0
543.36658	28.7
578.13916	14.5
579.15564	14.6
581.13409	13.9
596.15137	26.1
596.35223	16.8
597.16937	40.8
597.33978	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	596.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01871	1.3
55.05506	5.6
57.03427	2.1
57.07078	1.5
59.05017	1.3
61.02921	4.0
66.28669	1.1
67.05504	10.6
69.03433	11.4
69.07063	8.9
69.91408	5.5
71.04996	6.4
73.02919	1.6
79.05478	6.0
81.03423	6.8
81.07052	33.2
83.04981	1.7
83.08622	9.2
85.02381	2.4
85.02900	48.5
85.06547	4.5
87.04472	1.2
91.03953	3.6
91.05477	7.5
93.07040	19.3
95.04970	2.9
95.08601	29.6
97.02886	14.9
97.06542	3.3
97.10148	3.5
99.04454	65.1
99.08125	1.9
101.05999	1.3
103.05457	1.3
105.07038	10.5
107.08589	20.9
109.02893	4.0
109.06520	4.0
109.10155	29.8
111.08098	3.2
117.05490	6.8
117.07012	1.4
119.04931	2.1
119.08572	19.6
119.09359	1.7
121.06515	1.9
121.10143	35.8
123.08085	3.4
123.11708	31.6
125.09636	5.0
127.03910	11.3
127.07561	3.3
127.11208	2.5
131.08571	2.8
133.10150	10.8
135.08086	2.3
135.11691	8.9
137.06013	2.0
137.09645	1.8
137.13283	3.1
139.07521	2.1
139.11174	1.9
141.09128	1.4
145.02859	1.4
145.04971	12.2
145.06117	1.3
145.06514	1.0
145.10100	7.6
147.04355	5.3
147.11658	2.4
149.09633	4.3
149.13290	3.2
153.09114	2.1
158.46700	1.1
159.11665	11.4
161.13260	15.7
163.03949	4.4
163.06033	4.6
163.11145	6.8
167.07121	2.4
167.10690	4.9
171.10315	1.2
173.13231	1.2
175.03935	1.4
175.07599	1.3
175.14806	9.3
176.04364	1.0
177.05524	2.1
177.12863	1.8
177.14822	1.9
177.16376	39.6
177.17860	2.2
179.14326	4.9
181.04884	1.7
181.12213	10.4
191.17947	4.5
195.13794	1.7
201.16350	22.7
207.06499	1.4
208.06953	1.5
219.17453	30.6
237.18494	100.0
238.18875	1.2
255.19548	65.7
288.05820	1.3
315.61392	1.1
318.06555	1.2
321.54633	1.2
339.12350	1.3
389.44830	1.3
511.47559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72857	0.4
55.05497	1.3
59.33905	0.4
65.03925	0.8
65.92496	0.5
67.05504	3.5
67.52440	0.4
69.03415	1.3
69.07061	1.6
70.15225	0.5
71.51671	0.8
72.93919	0.5
79.05487	0.7
81.03438	0.8
81.07028	2.4
82.26028	0.4
83.04980	0.7
83.08592	0.7
85.02906	0.5
88.42945	0.4
89.03883	0.5
91.05473	9.3
93.07022	1.6
95.04943	0.8
95.08598	5.6
103.05448	0.5
105.07019	1.9
107.04888	0.5
107.08555	2.9
109.02847	0.9
109.06497	0.7
109.10159	9.9
111.08092	1.1
119.04937	15.7
119.08576	5.5
121.10134	7.2
123.08060	2.5
123.11742	0.7
130.04198	0.5
131.04883	0.5
132.05238	0.6
133.06517	1.1
133.10103	2.0
135.11691	8.2
137.09607	9.3
139.11171	2.5
140.63632	0.4
146.03586	0.7
147.04399	14.0
147.11702	0.6
149.13254	2.8
151.11177	0.9
151.14804	0.6
157.03957	1.9
163.03882	0.6
167.07024	0.8
174.03203	0.6
175.03903	29.5
175.14859	3.9
179.06992	1.6
192.04195	1.7
193.15887	3.6
207.06517	100.0
208.06941	0.8
225.07594	2.8
249.11143	0.6
261.11151	2.9
266.21680	0.4
293.12204	0.5
303.05167	0.5
351.10629	0.6
369.11728	4.3
370.13901	0.6
399.21591	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	595.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.2
55.01861	6.6
55.05240	2.7
55.05509	40.9
57.03422	10.6
57.07067	4.2
58.13153	2.0
65.03936	4.6
67.05505	57.0
69.03432	20.4
69.07056	14.6
69.07380	2.2
70.25459	8.0
71.04981	9.5
79.05489	82.4
81.03415	100.0
81.07050	54.3
83.04974	14.0
83.08617	23.0
85.02925	3.4
85.06561	3.0
88.07642	2.5
91.05474	55.6
93.07038	61.3
95.04959	22.3
95.08596	20.4
97.02880	21.1
97.06537	5.0
97.10164	44.4
98.95237	2.1
99.04436	7.2
99.44309	2.4
105.04497	2.9
105.07018	41.8
107.04923	6.7
107.08583	32.9
109.02865	33.8
109.06503	5.5
109.10134	11.1
117.06969	11.9
119.08580	24.3
121.06490	3.3
121.10140	7.4
123.08028	2.8
125.09628	39.0
127.03896	26.9
128.06212	2.8
129.07002	18.8
131.08545	6.3
133.10088	12.6
135.08047	5.1
135.11671	4.9
143.08540	9.5
145.06531	2.6
145.10112	9.9
147.11664	38.9
148.98729	2.3
153.09128	4.6
159.11655	3.2
161.09586	5.4
161.13243	10.4
171.10225	4.3
171.11673	27.3
189.11191	29.5
189.12729	11.4
203.10727	2.9
207.13782	38.6
225.14798	2.6
227.12770	44.3
245.13837	10.0
255.12178	2.5
255.16267	2.6
256.26352	6.4
259.16907	3.8
279.12195	2.7
281.17456	34.6
287.05396	5.0
297.13205	5.2
309.16861	5.6
371.16910	16.9
451.26877	28.7
488.66074	2.8
576.45953	3.4
577.29980	10.6
577.46173	9.9
595.30792	11.8
595.47040	8.9
615.11798	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01869	2.8
55.05496	7.3
65.03957	3.0
67.05479	7.9
69.03432	16.2
69.07056	9.5
69.74233	15.7
71.04980	5.0
77.69334	2.6
79.05483	10.7
79.12984	2.9
81.03415	9.4
81.07044	15.7
83.04961	11.6
84.23506	3.0
85.02915	17.0
91.05473	30.2
93.07047	16.5
95.04965	6.5
95.08601	16.9
97.02879	9.6
99.04424	4.0
105.03389	4.3
105.07026	18.3
107.08589	57.5
109.02863	4.3
109.06499	5.0
109.10152	10.1
117.06971	3.7
119.04932	32.6
119.08566	9.9
121.06491	3.8
121.10127	13.0
122.77079	2.9
123.04428	5.7
123.11687	4.5
127.03899	10.5
131.04900	2.9
131.08482	4.1
133.10129	15.0
135.04356	3.4
135.08026	5.9
135.11688	7.3
137.05960	3.2
137.09625	4.0
139.03912	5.7
145.04967	5.6
145.10146	7.6
147.04372	29.8
147.08110	3.5
147.11668	6.6
148.11954	3.4
149.09618	5.3
149.13235	3.7
151.03912	4.2
153.08990	2.8
163.03870	2.9
163.07498	3.0
165.12767	2.8
167.07094	5.9
173.13261	5.5
175.03899	41.9
177.05450	6.2
181.04974	7.7
189.16376	9.0
190.16721	7.8
191.14301	87.9
193.12234	3.4
199.06279	3.2
207.06503	100.0
217.05060	3.0
217.12509	3.9
235.16826	3.5
236.17311	3.9
243.10176	2.5
257.04468	2.9
276.47113	2.8
283.62973	2.7
317.06567	4.3
420.68274	3.0
595.30408	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	595.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01869	2.8
55.05496	7.3
65.03957	3.0
67.05479	7.9
69.03432	16.2
69.07056	9.5
69.74233	15.7
71.04980	5.0
77.69334	2.6
79.05483	10.7
79.12984	2.9
81.03415	9.4
81.07044	15.7
83.04961	11.6
84.23506	3.0
85.02915	17.0
91.05473	30.2
93.07047	16.5
95.04965	6.5
95.08601	16.9
97.02879	9.6
99.04424	4.0
105.03389	4.3
105.07026	18.3
107.08589	57.5
109.02863	4.3
109.06499	5.0
109.10152	10.1
117.06971	3.7
119.04932	32.6
119.08566	9.9
121.06491	3.8
121.10127	13.0
122.77079	2.9
123.04428	5.7
123.11687	4.5
127.03899	10.5
131.04900	2.9
131.08482	4.1
133.10129	15.0
135.04356	3.4
135.08026	5.9
135.11688	7.3
137.05960	3.2
137.09625	4.0
139.03912	5.7
145.04967	5.6
145.10146	7.6
147.04372	29.8
147.08110	3.5
147.11668	6.6
148.11954	3.4
149.09618	5.3
149.13235	3.7
151.03912	4.2
153.08990	2.8
163.03870	2.9
163.07498	3.0
165.12767	2.8
167.07094	5.9
173.13261	5.5
175.03899	41.9
177.05450	6.2
181.04974	7.7
189.16376	9.0
190.16721	7.8
191.14301	87.9
193.12234	3.4
199.06279	3.2
207.06503	100.0
217.05060	3.0
217.12509	3.9
235.16826	3.5
236.17311	3.9
243.10176	2.5
257.04468	2.9
276.47113	2.8
283.62973	2.7
317.06567	4.3
420.68274	3.0
595.30408	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	595.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.6
69.03422	9.3
71.09014	6.7
79.05476	7.8
81.03408	6.0
81.07048	4.7
83.04965	8.6
85.02888	9.7
91.05466	25.8
93.07025	12.0
95.04948	3.6
95.08604	9.1
102.04671	3.3
105.07031	13.8
107.04963	7.3
107.08587	46.8
109.06487	4.7
109.10207	7.9
119.04939	25.4
119.08566	7.9
121.10131	12.8
127.03943	4.5
131.04910	8.3
133.06535	4.1
133.10098	12.1
134.10417	5.2
135.08073	7.1
135.11668	4.3
145.06509	4.9
147.04420	28.5
147.11638	6.5
148.05052	3.1
153.09102	4.4
161.09612	3.3
163.03877	4.3
163.11127	4.5
164.04626	3.2
165.05457	7.4
167.07037	11.7
175.03893	39.6
176.04527	3.7
177.05345	4.5
181.04936	25.6
183.90903	3.4
190.16847	4.1
191.14310	61.5
192.14587	4.7
205.78821	3.4
206.05760	4.2
207.06505	100.0
208.06877	9.8
217.15880	4.1
246.91335	3.9
287.05426	5.9
409.44388	3.4
416.14609	16.6
527.62274	3.7
595.21344	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05494	0.3
55.44366	0.3
57.03441	2.2
61.02913	0.6
69.03423	1.0
69.78252	1.4
71.04605	0.5
71.04990	10.9
73.02914	1.0
75.04463	0.9
81.03384	0.4
81.07008	0.3
83.04978	0.7
85.02903	15.3
85.44918	0.3
97.02880	1.4
99.04453	0.7
109.02837	0.6
111.04364	0.5
121.02872	1.3
123.04431	0.4
127.03928	1.4
129.05482	3.7
133.02859	0.5
137.02301	0.9
139.03944	0.5
145.04938	0.8
147.04443	0.6
147.06512	0.9
151.03932	0.3
153.01854	3.1
157.06441	0.3
165.01878	1.5
175.03865	0.5
181.05022	0.3
183.02882	0.7
203.07065	0.4
207.06583	0.3
213.05418	1.1
231.06476	0.9
241.04967	0.5
241.08696	0.3
258.05310	0.7
259.06033	0.5
265.43500	0.4
287.05487	100.0
288.05869	1.5
329.06271	0.4
398.50537	0.3
449.10660	0.6
595.23187	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	595.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
57.03423	5.4
61.02935	2.6
67.05496	2.3
68.02599	1.8
69.03416	6.0
70.66633	7.5
81.03427	5.1
81.04543	5.8
83.06090	2.8
83.82883	2.3
85.02912	10.0
85.06561	4.7
88.98367	2.1
90.73974	2.1
93.03397	4.2
95.06085	20.5
97.02885	5.0
98.20838	2.5
103.03925	3.1
107.04950	2.3
109.02880	5.1
109.04044	2.8
111.04375	2.1
111.05550	12.4
117.07076	1.9
119.04940	11.9
121.02873	39.7
123.04459	16.5
127.03918	17.4
135.04413	3.8
139.03918	18.6
145.02847	7.6
147.04419	5.7
149.05978	3.0
151.03870	4.1
159.04352	2.4
161.05965	2.7
163.03899	6.8
165.05499	2.6
175.03926	5.2
176.01175	2.2
177.01866	3.4
177.05479	6.3
179.03381	8.3
180.21716	2.3
181.04982	4.2
183.11337	7.5
187.03925	2.4
189.01878	8.3
191.03401	10.4
193.05080	3.5
193.76749	2.0
195.02931	9.2
201.05476	5.6
203.03419	15.8
207.02937	10.4
211.03954	2.6
213.05534	2.3
215.03452	2.6
217.05025	5.2
219.02917	9.3
221.04478	4.0
227.03448	5.5
229.05002	5.1
233.04573	3.9
239.08192	4.5
243.02953	3.7
245.04639	2.8
253.05421	2.6
255.02948	3.0
257.04453	6.3
257.11322	29.1
267.02829	2.5
267.07727	14.8
268.07248	2.5
273.04013	3.0
275.05817	2.5
279.06482	5.6
281.08078	5.2
283.05963	12.5
285.04141	3.4
287.05417	18.0
294.05228	27.3
294.08450	3.8
295.06012	97.6
296.06784	7.7
297.07553	10.5
299.05453	3.8
307.05997	56.6
308.06766	17.8
309.07486	17.0
313.07034	7.2
317.07809	2.6
319.06070	6.9
320.06451	3.8
321.07516	29.8
322.04797	3.3
322.08286	15.8
323.05527	2.5
323.09024	4.7
325.07040	100.0
326.07413	3.1
333.07501	7.5
335.09116	16.6
336.06149	3.0
337.07074	58.2
337.11108	3.3
339.08591	2.6
347.09103	12.2
349.07101	32.6
350.07584	2.6
351.08688	23.3
355.08096	24.7
356.51318	2.3
357.07690	3.0
360.10175	2.4
361.06967	16.2
361.10709	2.5
362.07758	2.9
363.08710	6.7
365.06192	3.0
365.10156	12.0
367.08331	5.0
369.14417	6.8
373.07001	5.9
375.08566	15.0
379.08121	58.7
385.07217	3.4
391.08160	29.1
393.09573	2.6
397.13898	24.2
403.08151	24.4
409.09171	44.2
413.10373	3.1
415.08020	2.5
415.15305	12.2
421.09064	25.7
425.08838	4.6
427.10287	43.0
433.10016	5.7
433.15967	10.0
439.10190	39.9
445.10040	8.2
457.11298	84.0
463.10098	5.3
475.12271	19.4
481.11273	28.1
487.09854	3.1
493.11316	3.9
499.12329	19.3
505.11304	9.6
511.12204	22.7
523.12335	23.8
529.13367	9.5
541.13367	30.9
559.14471	26.7
577.15308	8.5
595.21533	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	595.1655
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.05503	4.0
57.03425	10.4
62.25434	2.0
65.34602	1.9
69.03433	14.7
69.90141	13.9
71.04610	3.9
71.04991	74.7
73.02912	11.8
79.05516	2.5
81.03390	3.0
81.07037	3.4
83.04967	10.4
85.02903	92.1
87.04466	2.7
91.05456	3.3
99.04452	5.2
109.55446	2.6
111.04436	5.4
117.05476	9.3
127.03892	4.7
129.05492	22.4
131.04897	2.5
137.02333	13.7
144.40814	2.1
147.06540	4.0
153.01796	5.1
153.05377	2.8
161.02452	2.2
163.03912	4.7
163.06044	8.0
165.01836	2.8
165.45256	1.9
207.06485	3.7
217.05125	2.7
229.05000	4.0
239.08942	2.5
247.26752	2.9
257.04337	3.4
271.06061	2.4
275.05762	2.9
281.48514	2.5
285.03729	3.0
287.05518	4.3
299.05365	7.2
301.07101	5.3
302.04260	3.4
303.04987	100.0
315.04968	26.1
316.05783	4.5
327.04880	6.2
341.06442	3.7
345.06009	51.6
353.06369	2.7
369.05960	19.3
395.07904	11.6
395.12393	2.3
413.08685	35.4
431.09760	21.3
449.10800	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03941	1.5
54.92287	0.2
55.01867	0.5
55.05509	0.5
57.03447	0.3
62.12708	0.2
67.05495	1.0
68.99777	0.4
69.03430	2.2
69.07054	0.7
71.04988	0.4
71.51520	0.4
73.02908	0.3
74.06190	0.2
77.03916	0.6
79.05495	0.9
81.03418	5.7
81.07053	1.7
83.04967	0.3
83.08596	0.2
85.02917	1.7
86.06039	0.4
89.03966	0.3
91.05486	1.6
93.07038	1.0
95.04961	2.0
95.08605	1.3
97.02888	3.5
99.04443	0.9
102.04659	0.4
103.05463	34.7
104.05746	0.5
105.04516	0.4
105.07050	1.4
107.04923	0.8
107.08582	1.1
109.02878	2.8
109.06490	0.5
109.10144	1.0
111.04431	0.4
111.19460	0.2
117.07018	0.4
119.04937	0.8
119.08542	1.0
121.02850	0.7
121.06500	0.7
121.10164	1.3
123.04391	0.7
123.08107	0.4
123.11678	0.4
125.09637	0.5
127.03921	2.5
129.07007	0.3
131.04924	100.0
132.05212	1.6
133.10095	0.6
135.04388	0.4
135.11691	0.5
137.02321	1.4
137.05942	0.6
137.09624	0.6
139.03970	0.4
143.06909	0.3
144.08087	0.5
145.02859	0.4
145.04944	0.6
145.06422	0.4
145.10107	0.7
147.04407	0.9
147.08018	0.7
147.11659	0.6
149.02405	0.3
149.05975	7.4
149.09612	0.5
151.03925	0.4
151.07571	0.5
152.13295	0.3
153.01819	2.0
153.12685	0.3
154.84888	0.2
159.11693	0.4
161.06012	0.3
161.09619	0.5
163.03864	0.7
163.11191	0.6
165.01854	0.9
165.05458	0.4
165.09097	0.3
167.07022	2.2
167.10724	0.3
171.11609	0.3
173.06087	0.4
173.09631	0.3
175.03827	1.3
175.11179	0.3
177.05502	0.6
179.03352	0.3
179.07005	0.3
181.04922	1.2
181.12129	0.3
189.09032	0.4
193.12318	0.3
201.05312	1.3
207.06551	2.6
214.81396	0.3
229.04938	1.9
241.08618	0.3
247.06009	0.4
257.04459	1.1
273.32016	0.2
275.09140	7.2
285.03815	0.5
287.05371	0.3
293.10239	1.4
303.04977	39.4
304.05261	0.9
312.16782	0.5
321.23932	0.2
328.81805	0.3
341.64371	0.2
345.06033	0.7
385.12488	0.4
416.14584	0.8
436.23425	0.3
465.28448	0.3
595.21338	0.9
595.30322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
51.02384	0.4
51.07400	0.2
53.03938	0.5
55.01876	0.3
55.05505	0.3
56.16693	0.2
57.03423	0.3
57.56985	0.1
58.41880	0.1
65.03951	0.2
67.01852	0.2
67.05489	0.5
68.99795	0.3
69.03424	0.6
69.07066	0.3
70.82631	0.3
70.82964	0.2
71.04993	0.2
77.03938	0.5
79.05491	0.5
81.03401	1.1
81.07047	0.5
83.04961	0.2
83.08627	0.2
85.02906	1.0
91.05482	0.6
93.03387	0.2
93.07024	0.6
95.04946	1.4
95.08600	0.6
97.02891	0.4
97.06498	0.3
99.04462	0.4
102.04664	0.3
103.05460	31.8
104.05804	0.4
105.04507	0.3
105.07032	0.3
107.04945	0.5
107.08589	0.6
109.02878	0.6
109.06512	0.2
109.10203	0.4
109.82025	0.2
111.00793	0.8
111.04446	0.2
115.05480	0.2
117.06998	0.3
119.04925	0.3
119.08582	0.3
121.02853	0.8
121.10151	0.4
123.04430	0.6
123.11759	0.3
123.71128	0.2
127.03929	1.0
131.04921	100.0
132.05244	1.3
133.06480	0.2
133.10141	0.4
135.04401	0.4
135.08022	0.2
137.02336	2.3
137.05992	0.3
137.09563	0.2
139.03922	0.3
140.10667	0.2
144.08110	0.3
145.06506	0.3
145.10086	0.3
147.04413	0.5
147.11754	0.3
149.02361	0.5
149.05991	0.7
151.03867	0.3
153.01819	2.8
155.04889	0.2
161.05971	0.3
161.09576	0.2
163.03897	0.6
163.07521	0.2
165.01845	1.5
165.05447	0.4
166.02628	0.2
167.07039	1.2
173.05983	0.6
173.13303	0.2
175.03909	0.4
177.05452	0.3
179.03450	0.3
181.04913	1.0
183.02911	0.5
183.04404	0.2
187.03964	0.2
187.07530	0.2
195.02843	0.3
201.05438	1.2
203.07014	0.2
207.06503	0.6
213.05563	0.2
229.04973	3.0
233.08023	0.2
247.06032	0.6
257.04440	1.9
274.04770	0.7
275.05786	0.2
275.09149	0.6
285.03876	1.1
287.05505	0.2
293.10184	4.5
303.04968	59.4
304.05301	1.3
345.05960	0.7
374.01538	0.2
385.12787	0.4
411.06967	0.3
416.14642	0.7
565.21051	0.2
595.21912	0.6
595.30823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01872	1.6
68.99790	8.0
69.86250	2.8
69.86659	1.5
81.03421	2.6
85.02889	1.1
87.48978	0.8
93.03416	0.7
95.04965	2.3
105.03394	1.3
107.04974	1.3
109.02876	3.5
110.59361	0.8
111.00794	6.8
111.04459	3.1
115.05363	0.9
119.04956	3.4
121.02847	1.9
123.04433	44.4
127.03918	98.5
128.04317	1.3
131.04945	1.6
133.02873	2.3
135.04425	6.4
137.06084	0.9
139.03903	100.0
140.04256	1.7
145.06511	0.9
147.04413	13.2
149.02312	4.2
149.05948	1.3
151.03903	28.7
152.04297	0.8
153.01859	1.8
155.03352	0.9
159.04486	1.4
161.02435	0.8
161.05992	3.1
162.68483	0.8
163.03908	12.6
165.01784	0.8
165.05490	10.4
167.03391	6.4
169.06458	0.9
171.04417	2.2
175.03915	14.2
177.05486	7.2
179.03391	32.4
181.04962	2.2
183.04518	0.9
185.05971	1.8
187.03925	2.2
189.05504	3.7
191.03412	15.8
193.04967	5.2
195.24110	0.8
197.06018	1.7
199.03917	2.4
201.05482	6.0
203.03391	23.6
203.05231	1.6
205.05011	1.6
207.06589	1.3
213.05440	4.9
215.03391	1.9
217.04936	5.3
223.02184	0.9
227.03490	1.2
229.04916	6.7
231.06587	4.0
233.04420	8.4
241.04977	2.5
243.06546	1.4
245.04480	14.4
247.06044	6.0
251.05511	2.1
257.04446	19.4
258.05130	1.9
259.05972	4.2
263.05493	12.0
269.04465	4.5
271.06018	6.5
273.07623	1.4
275.05515	32.9
276.05820	1.6
283.06049	1.2
287.05508	57.2
288.05838	1.7
289.07144	2.1
291.08621	12.6
299.05481	21.8
301.07123	2.5
303.08655	2.5
305.06537	9.2
307.08444	1.1
311.05438	2.0
315.08722	1.1
317.06595	18.6
318.06943	1.4
329.06580	1.1
391.08057	1.1
409.09161	15.9
410.09207	1.0
425.08643	22.5
427.10303	3.4
433.08890	1.5
443.09756	7.4
451.09976	1.9
559.11786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.6
53.00299	1.4
55.01853	4.1
56.80596	1.0
65.03928	2.3
68.99778	6.7
69.03404	1.6
69.68351	6.2
81.03417	3.0
84.04470	1.0
85.02879	1.2
91.05466	2.2
95.04971	2.7
97.02860	1.9
103.05473	1.1
103.95636	1.0
105.03380	2.9
105.07013	1.0
107.04947	2.6
109.02856	4.2
111.00803	6.4
111.04430	3.1
119.04910	7.4
121.02853	3.6
123.04415	71.5
125.02325	2.3
127.03902	69.4
128.04268	1.8
130.05003	2.5
131.04932	1.6
133.02875	1.6
133.06512	1.1
135.04405	12.8
137.02284	2.6
137.06006	1.8
139.03885	100.0
140.04285	1.3
143.03401	5.8
143.04868	1.5
147.04384	25.0
149.02338	4.4
151.03877	27.3
153.01807	1.9
155.03378	4.7
155.04863	1.0
157.06497	1.4
159.04430	1.2
161.06015	6.8
163.03888	29.5
165.05469	15.9
167.03409	6.3
167.04646	1.2
169.06396	1.3
171.04422	2.1
173.06097	2.5
175.03908	12.9
177.05492	7.1
179.03372	39.2
179.06984	1.2
181.04988	5.1
181.06432	1.4
183.01157	1.3
185.05974	3.0
187.03879	4.2
189.05496	5.1
191.01680	1.8
191.03349	13.0
193.04974	10.7
197.05952	1.9
199.03922	5.0
201.05489	5.1
203.03363	25.1
203.07106	1.6
205.04977	1.6
207.02870	1.7
207.06581	3.0
213.05377	7.7
215.03423	3.2
215.07004	1.9
217.04958	7.6
225.05408	1.3
227.03339	1.3
229.04945	9.1
230.05785	1.1
231.02859	1.3
231.06444	5.5
233.04407	6.5
241.04916	4.9
243.06628	2.1
245.04430	25.2
247.06038	8.0
257.04404	29.4
258.05121	3.4
259.05997	8.2
261.03870	2.4
263.05466	13.5
269.04391	5.5
270.04764	1.6
271.06024	11.9
273.03864	4.0
273.07285	1.8
275.05438	25.9
276.05917	1.2
281.04364	2.1
283.06033	3.3
285.04071	2.1
287.05469	70.9
288.06046	1.3
289.06992	3.7
291.05020	3.6
291.08597	10.8
299.02094	1.4
299.05450	20.2
300.05603	1.1
301.07047	5.9
303.04886	6.1
303.08466	2.2
305.06482	8.0
311.05307	1.6
317.06528	16.4
329.07706	1.8
333.09903	2.2
407.07407	2.6
409.09131	25.9
425.08630	24.2
427.10101	3.9
433.09171	2.0
439.10199	1.9
443.09656	4.4
451.10172	9.2
458.11746	1.5
469.11136	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
55.01853	1.5
62.73638	0.5
63.73426	0.6
65.03951	0.6
68.99789	6.5
69.64835	3.8
74.85764	0.5
75.66763	0.5
81.03428	3.4
83.04997	0.7
91.05464	0.8
95.04971	1.4
97.02887	0.9
98.20851	0.8
99.04446	1.1
105.03402	0.7
109.02853	3.3
111.00803	6.7
111.04441	1.7
119.04944	1.6
121.02853	1.2
123.04424	29.7
127.03912	100.0
128.04295	0.6
131.04904	1.1
133.02831	1.6
135.04408	2.2
137.05954	0.8
139.03899	63.7
140.04147	0.7
141.06921	0.6
143.04944	0.6
143.42462	0.6
147.04401	10.8
149.02354	1.7
151.03905	22.6
153.01811	1.1
155.03404	1.6
157.06529	1.6
159.04414	1.4
161.05995	2.3
163.03928	4.3
165.05482	6.0
167.03368	3.9
171.04414	1.4
173.06041	1.1
175.03908	13.8
177.05461	4.7
179.03386	32.5
180.03737	0.6
181.04941	0.9
183.04448	0.6
185.06021	2.1
187.03912	1.3
189.05453	3.4
191.03386	10.0
193.04993	3.8
197.05916	0.8
199.03908	2.2
201.05455	4.5
203.03384	23.1
205.04942	1.4
207.06546	1.1
213.05473	5.0
215.03401	1.6
217.04987	3.9
219.06456	1.1
225.05536	0.6
229.04936	4.1
231.06491	2.8
233.04436	4.9
241.04964	2.6
243.06586	0.7
245.04460	8.5
247.05957	1.3
251.05566	1.6
253.04932	1.1
255.06258	0.7
257.04443	10.9
258.05054	0.8
259.06055	2.7
263.05484	6.8
269.04480	4.5
271.06042	1.9
275.05472	21.1
281.04623	0.7
287.05493	54.1
288.05951	1.4
291.08661	10.1
299.05496	14.4
301.06677	1.0
303.08627	1.1
305.06564	9.5
311.05545	0.7
317.06531	10.8
321.56094	0.6
409.09235	6.5
411.93607	0.6
425.08612	13.8
427.10391	3.2
443.09564	3.5
451.10229	1.4
534.14966	0.6
591.36188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.0
55.05272	2.6
55.05511	26.7
57.03440	14.7
67.05502	32.6
69.03406	7.5
69.07045	9.1
70.76162	7.0
71.04973	8.5
79.05489	44.1
81.03416	62.0
81.07053	35.8
82.07379	3.2
83.04962	10.8
83.08620	18.9
83.22473	3.3
85.02882	4.1
85.06514	3.4
85.32088	2.4
91.05466	30.2
93.07042	29.5
95.04958	26.0
95.08597	17.0
97.02934	2.5
97.06518	8.9
97.10170	17.2
100.08475	2.6
103.05494	3.1
105.07030	23.0
106.07361	2.7
107.04957	17.9
107.08575	18.2
109.02895	3.0
109.06495	12.0
109.10136	10.4
111.04412	4.0
111.08072	4.1
115.05419	3.5
117.06986	8.0
119.08575	20.1
121.06497	14.7
121.10144	13.4
123.04507	3.2
123.08051	5.7
125.09626	18.7
127.03941	3.3
129.06984	10.7
131.04906	4.9
131.08528	15.8
133.06468	7.5
133.10121	11.6
135.08015	6.8
135.11674	5.0
137.05980	3.9
137.09563	2.4
139.03912	4.1
143.08521	5.7
145.06465	6.8
145.10127	10.2
147.08055	8.4
147.11691	11.4
149.09564	7.6
153.09134	5.2
155.08600	4.1
157.10191	11.4
159.07906	3.1
159.11719	6.5
159.77666	2.7
161.09601	5.0
163.11179	5.9
165.12630	3.8
169.10133	3.5
169.56857	2.9
170.19107	2.5
171.11647	3.7
173.13188	3.1
175.11185	8.2
183.11676	4.5
185.13240	4.2
189.11182	7.1
191.14346	3.8
193.12230	18.3
199.11206	3.9
205.12262	3.1
209.11694	2.6
210.21660	3.1
211.13135	4.7
215.14217	3.2
219.13773	5.6
227.12721	3.5
233.15324	7.0
267.15924	42.3
270.24500	2.8
273.14780	7.5
276.20358	3.9
287.05417	3.4
293.17520	3.2
329.03381	2.5
337.47629	2.9
349.21484	5.6
350.23956	2.7
367.22693	23.4
385.23740	40.2
403.24789	14.7
407.01004	2.8
441.26187	9.4
459.27393	100.0
460.27396	3.9
477.28497	84.1
491.29965	12.3
576.36285	3.1
594.35211	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	594.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01859	4.2
55.05497	6.0
57.03421	4.3
57.07089	3.3
61.02923	6.7
67.05498	11.8
69.03430	21.3
69.07061	10.4
69.60166	5.4
69.60568	15.0
70.06591	3.5
71.04981	3.7
73.02902	5.4
79.05489	9.6
81.03412	11.5
81.07054	45.3
83.04980	3.6
83.08617	7.1
85.02902	83.5
91.03937	5.2
91.05470	16.2
93.07029	30.8
95.04939	3.7
95.08600	40.7
97.02889	27.8
97.06529	5.2
97.10172	5.1
99.04436	7.2
105.07020	25.9
107.04955	3.2
107.08595	42.4
109.02887	9.3
109.06546	3.8
109.10152	23.8
111.08095	4.0
111.11726	5.3
117.07017	3.0
117.13674	2.3
119.04858	2.4
119.08584	32.4
121.06506	4.7
121.10123	15.7
123.08087	5.1
123.11738	2.9
125.06001	6.6
125.09608	3.6
127.03922	26.4
131.08539	2.6
133.06487	2.6
133.10130	28.0
135.08083	3.5
135.11687	37.6
137.05998	5.3
139.07529	5.2
143.08443	2.7
145.04948	36.1
145.10136	4.9
147.11678	23.9
149.09656	3.9
149.13284	4.8
153.09105	3.8
157.10085	3.0
159.11668	3.1
161.05740	2.4
161.09584	5.2
161.13255	12.6
163.03888	2.9
163.05986	14.6
167.06969	3.7
173.13274	5.9
175.03897	6.0
175.11205	7.1
175.14841	8.7
177.05470	3.1
179.10603	12.5
181.04918	4.7
189.16374	100.0
191.14287	5.7
199.14819	7.7
207.06459	12.5
207.17369	3.7
217.15865	34.8
235.13319	2.6
235.16945	47.2
253.17978	3.7
361.19943	2.5
379.21173	6.4
520.47125	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	593.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19202	1.8
52.27370	1.8
53.03942	7.8
55.01870	16.8
55.05240	2.8
55.05510	40.5
57.03436	17.9
59.47052	1.8
63.70110	2.1
65.03934	4.5
67.05505	67.3
69.03423	10.3
69.07064	23.3
69.25449	21.4
70.90704	1.8
71.04998	8.7
73.96539	2.3
79.05020	2.8
79.05489	63.4
81.03420	58.5
81.07055	100.0
83.04979	32.3
83.08616	31.2
85.02903	27.5
85.06554	7.6
89.95734	1.7
91.05469	53.0
92.05802	2.7
93.07044	50.9
95.04971	47.8
95.08611	32.5
97.02865	3.9
97.06507	14.9
97.10178	24.7
98.78925	1.9
99.04465	5.9
99.08104	6.6
103.05489	2.2
105.07030	43.7
106.07343	2.9
107.04936	11.9
107.08591	36.5
109.06512	22.9
109.10140	16.9
111.04425	21.7
111.08075	20.4
113.06024	7.3
115.05457	3.1
117.07037	11.1
119.04958	3.1
119.08571	38.6
121.06495	10.5
121.10142	24.0
123.04377	4.1
123.08074	30.2
123.11731	5.6
125.09639	19.9
127.03937	3.4
128.06279	2.9
129.07047	14.2
130.24263	2.1
131.08566	26.0
133.06508	2.8
133.10136	18.2
135.08046	15.7
135.11705	12.1
137.06007	2.3
137.09630	9.0
139.03906	7.3
141.07111	2.6
142.07814	2.7
143.08603	9.0
145.06505	2.8
145.10123	21.8
147.08017	12.0
147.11678	17.5
149.09631	14.5
149.13263	3.0
151.03870	2.5
153.09135	4.4
153.12761	7.3
157.10138	16.0
159.08025	3.4
159.11725	8.2
161.09647	7.7
161.13263	3.1
163.11159	19.5
163.12151	1.8
165.09177	7.8
165.12715	2.8
169.10098	2.8
171.08096	2.7
171.11737	5.7
173.09654	3.4
173.13281	3.3
175.11211	11.2
175.14775	2.4
177.12747	2.5
181.10144	2.5
181.12270	10.8
183.11890	1.8
185.09596	2.7
185.13264	2.4
187.14844	2.6
189.11182	23.3
189.12704	2.6
189.16280	1.9
191.10703	7.3
193.10498	2.3
193.12241	43.0
199.14865	2.7
211.13297	46.1
211.15326	3.2
217.15828	2.4
223.13353	8.4
227.12747	22.2
227.17848	2.9
231.13863	2.4
233.15414	3.0
245.18933	2.9
255.17525	2.3
267.16037	9.3
273.18466	26.7
275.20013	5.7
283.15451	2.6
285.16953	23.2
291.19547	69.9
309.20697	4.1
347.22186	4.0
365.23300	17.9
407.24625	2.5
465.30084	4.4
473.32861	2.3
483.31125	3.3
539.33740	3.2
557.34521	16.5
575.35809	24.7
593.37433	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41594	2.2
53.03933	10.2
55.01870	30.2
55.05270	3.9
55.05512	46.7
57.03432	19.8
57.07063	5.8
59.71661	2.4
65.03951	4.9
67.05503	100.0
68.05835	3.3
69.03423	12.8
69.07066	40.7
70.26032	2.4
71.01350	3.1
71.04980	13.1
73.02898	6.1
79.05491	83.6
81.02989	4.4
81.03421	48.0
81.07050	92.8
83.04984	27.4
83.08610	27.1
85.02908	13.2
85.06513	7.1
91.05473	74.4
93.07040	72.7
93.07636	2.7
94.07329	2.5
95.04958	41.2
95.08603	47.2
97.02852	3.2
97.06538	33.5
97.10158	17.1
99.04485	2.2
99.08099	4.3
103.05428	2.7
105.07027	59.6
107.04948	23.5
107.08588	41.1
109.02802	3.6
109.06522	14.4
109.10150	31.4
111.04443	4.8
111.08093	12.5
115.05462	2.7
116.04706	2.7
117.07007	17.3
118.24802	2.2
119.07754	1.9
119.08576	39.9
121.06476	13.9
121.10141	25.4
123.08076	14.0
123.11695	7.9
125.09632	17.7
127.07556	3.0
129.05511	12.0
129.07011	15.2
129.19781	2.4
131.08553	25.6
133.06453	6.4
133.10114	37.0
135.08046	10.7
135.11696	20.3
137.09622	9.1
139.11139	3.5
141.06976	2.6
143.07040	3.3
143.08546	6.3
145.10123	20.9
147.08041	8.4
147.11691	25.9
149.09621	34.2
149.13237	6.7
151.11209	9.4
153.09071	4.0
155.08554	3.3
157.08711	4.9
157.10120	13.4
159.11705	11.4
161.09608	8.1
161.13242	5.2
163.11148	14.8
165.09167	3.2
165.12740	4.4
169.10126	5.2
171.10187	5.3
171.11707	7.7
171.33798	2.5
173.09627	3.0
173.11810	4.2
173.13272	6.9
175.11217	12.0
177.08992	3.2
177.12788	6.6
179.10666	3.4
183.11749	3.4
185.13318	3.2
187.14859	4.1
188.07153	2.8
189.11171	8.4
189.12773	4.4
191.10629	3.6
193.12233	28.7
195.13881	3.7
197.13312	2.8
199.14777	2.8
203.14299	2.9
209.11668	4.5
211.13287	33.3
212.51839	2.9
227.12708	15.6
229.14336	6.4
233.15340	4.8
253.14391	6.8
257.19070	5.5
263.19888	5.0
267.15961	11.5
273.18469	14.9
275.20065	40.0
285.16980	15.4
291.19504	33.0
293.21024	6.1
301.16422	18.4
309.20438	3.0
347.22119	6.7
349.23825	19.3
365.23291	13.6
557.34430	8.5
575.35614	25.7
593.35852	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.6
55.01866	19.3
55.05510	33.9
56.01443	2.6
56.53068	3.2
57.03436	34.3
57.07063	3.6
59.04978	3.3
63.83693	2.6
65.03938	7.1
67.05500	100.0
69.03425	8.4
69.07057	26.8
70.06135	6.8
70.06545	9.5
71.04980	8.9
71.08630	2.8
79.05486	69.8
81.03413	44.5
81.07052	72.9
83.04984	22.2
83.08614	21.8
85.02896	17.8
85.06536	16.3
91.05473	64.9
93.07047	53.1
95.04963	79.3
95.08595	36.7
97.02875	4.0
97.06530	16.2
97.10146	9.1
99.04472	5.1
103.05454	3.3
105.07037	50.0
107.04956	25.5
107.08591	45.4
109.06512	73.2
109.10143	22.1
111.04427	9.5
111.08057	11.7
113.05995	38.1
115.05444	4.9
117.06978	20.1
119.08571	35.0
121.06491	10.4
121.10131	23.8
123.04433	6.4
123.08066	11.3
123.11706	7.1
125.09597	9.6
127.03908	4.4
128.06187	4.4
129.06998	14.6
131.04959	4.2
131.08566	36.5
133.06474	6.8
133.10107	30.9
135.08041	51.7
135.11679	15.9
137.09628	8.4
139.03885	5.6
141.06932	5.4
142.07751	4.0
143.08545	10.5
145.06454	5.0
145.10126	25.1
147.08022	10.0
147.11681	18.9
149.09616	15.8
149.13225	4.1
151.11169	5.8
155.08548	6.5
157.10104	14.7
159.08014	5.3
159.11656	10.1
161.09621	14.5
161.13211	3.4
163.11127	13.0
165.09195	5.4
165.12671	4.3
169.09995	3.1
171.11606	4.1
173.13254	7.7
175.11235	10.4
177.12741	8.4
179.14357	3.3
185.13225	4.6
187.11208	3.6
189.11176	4.0
193.12285	25.0
195.13690	3.5
199.14798	5.3
201.12749	4.4
211.13295	25.2
217.15833	18.8
227.12782	4.1
229.14365	3.3
233.15332	3.6
257.19046	3.7
259.20612	3.8
260.18790	3.8
267.15952	14.5
273.18530	54.2
275.20013	25.4
285.16965	33.0
291.19525	94.0
293.20981	5.6
301.16357	7.5
307.09332	6.7
308.09708	8.2
309.09903	8.4
333.23895	3.0
347.22052	10.5
349.23648	6.7
365.23138	10.9
495.29361	4.2
507.87549	3.2
539.33881	5.6
547.80212	3.4
557.34412	11.0
558.34821	3.2
575.35681	20.0
593.33533	15.1
601.46576	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	593.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00426	0.5
69.52969	1.1
69.53381	3.0
114.35612	0.5
259.00250	0.5
355.12006	0.5
387.16034	0.6
389.17596	1.1
401.18103	0.6
402.18240	1.0
403.19159	2.7
404.19940	0.9
405.20941	1.5
416.20392	1.1
417.21268	4.1
418.21881	2.5
419.22354	3.2
430.17554	0.7
431.18179	8.6
432.19376	1.5
432.24078	0.7
433.24002	8.2
434.24637	1.4
445.19891	9.0
446.20786	5.0
447.21683	4.5
459.21368	4.6
460.22546	14.8
461.23254	13.3
473.23608	2.8
474.24313	0.9
476.25821	1.5
487.24930	1.1
489.26801	0.8
490.11819	0.5
491.24677	0.7
492.25275	1.7
504.20532	0.6
505.21860	5.9
518.22736	0.7
519.23926	0.7
533.25446	50.8
534.25867	1.7
555.53674	0.5
564.23456	0.8
565.28070	0.9
575.26367	0.6
593.27521	100.0
594.27899	3.5
606.48315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
62.76804	0.4
71.44298	0.5
72.81956	0.3
91.12717	0.3
100.90930	0.3
102.61873	0.3
105.66074	0.3
161.31348	0.3
182.05223	0.3
183.14262	0.3
242.44180	0.3
249.01180	0.4
290.73492	0.3
389.17691	0.8
391.97803	0.3
403.19113	1.0
404.20163	0.5
405.20703	0.8
417.16415	0.8
417.20920	1.4
418.21912	0.7
419.22195	2.0
431.18307	4.8
431.23746	0.3
432.18750	1.5
433.24048	3.6
434.24582	1.0
445.19992	5.8
446.20789	2.0
447.21512	3.0
459.21628	2.0
460.22443	7.9
461.23233	6.5
473.23352	1.0
474.24243	0.4
476.26044	0.4
477.26959	0.4
487.25043	0.4
491.24686	0.5
492.25281	0.7
505.22125	4.4
519.23981	0.7
533.25452	18.4
534.25940	1.0
564.23950	0.5
593.27533	100.0
594.27771	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	593.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71559	0.5
51.02380	0.5
55.01873	0.5
55.05505	0.9
56.19487	0.5
57.03437	0.9
65.03928	1.4
67.05495	1.6
69.03429	3.5
69.07052	1.2
71.04977	0.6
79.05474	1.9
81.03410	3.2
81.07051	2.5
83.04956	1.1
85.02897	2.1
91.05476	18.9
93.07027	2.3
95.04948	1.7
95.08597	2.3
97.02868	0.7
97.06536	0.5
98.21482	0.9
99.04432	0.8
101.79382	0.5
105.03398	1.0
105.07021	2.9
107.04979	1.1
107.08579	2.1
109.02867	1.6
109.06509	1.0
109.10166	0.9
109.84192	0.5
111.08076	0.7
119.04941	32.4
119.08580	1.8
121.02882	0.5
121.06400	0.6
121.10124	2.3
123.04415	1.3
123.08054	0.9
123.11664	0.7
127.03923	1.1
131.04951	0.6
132.02080	1.4
133.02832	0.6
133.06477	0.6
133.10139	2.1
135.04391	0.7
136.05191	0.8
137.05965	1.4
137.09589	0.9
139.03923	0.6
139.11169	1.4
145.02847	1.8
145.06490	0.7
145.10133	1.0
147.04408	27.0
147.11671	1.9
149.02321	1.2
149.09621	1.1
151.07529	0.7
157.03966	2.6
161.13254	1.3
163.03966	0.6
164.04684	1.1
167.10648	0.7
175.03908	44.7
177.05399	1.9
179.07053	2.5
189.12733	2.0
191.03407	1.3
192.04190	0.5
207.06525	100.0
207.13773	5.3
208.06833	1.0
225.14897	1.4
245.04370	0.6
351.10672	3.7
369.11813	6.2
387.16318	0.7
576.84027	0.6
593.29388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12350	0.6
59.05006	1.0
61.01127	0.7
63.75087	0.7
65.03934	1.3
67.05497	0.9
68.74219	0.7
69.03423	1.7
69.28491	3.2
69.28919	3.4
71.04977	1.0
79.05488	1.1
81.03394	3.0
81.07046	1.2
83.04974	1.3
85.02870	1.9
91.05474	19.8
91.92189	0.6
93.07037	1.6
95.04956	1.5
95.08578	1.4
97.02872	1.5
97.06516	0.8
97.29980	0.7
103.05476	0.8
107.08579	2.6
109.02878	1.7
109.10149	1.0
119.04942	28.3
121.10138	1.3
123.04392	1.0
127.03913	1.6
135.04419	0.8
137.09619	2.5
139.03839	0.8
145.02850	1.0
147.04408	25.1
147.11623	0.9
149.02292	1.0
151.03838	0.8
153.01822	1.6
157.03961	2.0
159.11732	1.0
163.03868	1.1
164.04633	0.8
167.07066	0.9
175.03914	47.7
176.04439	0.7
177.05504	0.8
179.07013	2.8
181.04945	2.3
192.04164	1.3
192.33720	0.7
197.08099	1.5
201.05368	0.9
207.06526	100.0
208.06862	1.8
208.38368	0.8
219.02811	0.7
225.07538	1.6
239.09140	0.8
255.08521	1.3
273.08948	0.9
317.06094	1.0
323.54843	0.9
351.10703	3.0
369.11789	6.4
373.48358	0.8
415.13940	1.0
423.08142	0.9
424.14148	0.8
593.29858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.0
69.03444	1.5
69.22546	7.2
69.22964	3.7
69.40816	0.9
79.05458	1.1
81.03404	3.4
85.02900	2.2
87.86836	1.2
89.07156	3.2
91.05476	18.3
93.07035	2.0
95.04929	1.4
95.08588	3.4
97.02856	1.2
99.04433	1.1
105.06986	2.2
107.08575	1.9
109.02860	1.5
109.06488	1.6
109.10173	1.9
119.04929	28.7
119.08546	1.5
121.10138	1.7
123.04388	1.1
123.08064	3.2
127.03880	2.1
133.06502	1.5
133.10130	1.4
147.04417	23.7
147.11714	1.5
149.09578	2.4
157.03917	2.5
161.13219	2.0
174.10237	1.0
175.03906	46.5
177.05502	1.4
179.07043	2.2
189.12700	2.7
191.03336	1.7
207.06519	100.0
207.13828	3.8
208.06670	1.6
351.10800	4.7
369.11761	4.1
404.79614	1.1
582.46661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.7
55.01849	2.9
55.05509	21.2
56.16242	2.7
57.03434	19.5
57.07075	60.1
58.84711	2.3
65.03927	3.5
67.05504	95.4
69.07071	26.1
71.04960	3.5
71.08624	37.8
71.52385	4.1
79.05492	46.4
81.07053	98.2
83.08619	18.8
85.10184	21.9
91.05478	28.2
93.06492	5.0
93.07040	63.6
95.04955	3.5
95.08602	86.7
95.73433	2.7
97.10126	7.6
99.11715	3.1
105.07004	19.5
107.08595	37.7
109.10151	36.4
117.07011	10.7
119.08581	18.8
121.10140	30.4
123.11705	14.2
125.09703	3.2
131.08572	17.5
133.10109	13.0
135.11696	25.9
137.13231	6.4
137.54041	2.5
145.10104	15.6
147.11723	11.9
149.13252	14.8
151.14777	3.3
159.11655	12.8
161.13263	9.1
163.14806	8.3
173.13176	12.3
175.14827	3.7
187.14767	7.3
215.48164	2.3
233.22635	3.9
239.23712	5.5
243.21051	11.5
261.22119	74.3
313.27356	100.0
317.24704	12.8
335.25775	65.9
536.32312	2.5
573.48785	22.7
591.49152	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	591.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05516	18.7
57.03437	15.0
57.06803	2.5
57.07076	43.2
61.72866	1.8
66.56919	1.4
67.01995	1.5
67.05505	67.0
69.07069	20.4
69.89236	7.1
71.04976	1.7
71.08626	33.7
71.16815	1.5
79.05023	1.7
79.05489	51.5
81.07053	76.2
81.07534	4.0
83.08635	13.5
85.06509	3.5
85.10179	16.0
89.06027	2.2
91.05477	26.5
93.07041	64.3
95.04960	4.8
95.08601	65.4
97.10151	7.2
99.08062	3.5
105.07021	16.4
107.07904	1.9
107.08592	30.2
109.06498	2.4
109.10155	22.3
109.77656	2.0
111.08079	2.2
113.09638	2.7
117.07001	5.5
119.08562	12.6
121.10141	26.0
123.08020	1.7
123.11663	8.8
125.09587	2.1
131.08565	17.0
133.10118	9.9
135.11658	15.5
137.13240	4.4
145.10124	11.8
147.11674	10.0
149.13257	14.5
150.22249	1.7
159.11711	9.1
161.13257	6.6
163.11168	1.8
163.14806	13.2
173.13219	7.5
175.14838	2.7
177.16391	6.3
187.14806	5.3
233.22592	3.1
239.23663	4.9
243.21094	29.8
257.24844	2.9
261.22122	60.5
262.22479	2.1
313.27353	100.0
314.27679	3.2
317.24695	7.6
335.25797	60.4
336.26184	1.9
499.45264	2.3
542.29352	1.8
573.48871	20.8
591.38416	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01617	1.8
52.55730	1.8
53.03933	9.9
54.47433	2.0
55.01866	20.8
55.05513	30.6
57.03434	25.0
57.07076	2.6
59.05005	1.8
61.97496	1.6
65.03941	6.0
66.56141	1.7
67.05505	83.8
69.03419	6.8
69.06728	3.0
69.07066	26.0
69.35015	11.9
69.35434	5.4
71.01347	5.9
71.04993	10.7
74.10790	1.7
79.05489	78.1
81.03416	70.2
81.07054	72.1
83.04976	32.9
83.08617	20.5
84.02148	1.9
85.02902	19.3
85.06534	6.1
91.05479	100.0
93.03431	2.2
93.07037	59.9
94.04157	2.3
94.38630	2.0
95.04965	65.7
95.08603	39.5
97.02880	9.4
97.06522	13.5
97.10171	7.6
98.21559	3.7
101.55090	1.9
103.05460	6.6
105.04520	2.6
105.07023	71.1
107.04948	72.2
107.08597	26.8
108.05747	2.5
109.06512	28.9
109.10149	16.4
109.97614	1.8
110.07281	2.1
111.04433	11.0
111.08090	10.1
112.05227	5.8
113.06009	8.9
115.05445	8.5
117.07001	27.8
119.04942	6.6
119.08575	51.4
121.06513	15.6
121.10162	19.8
122.07279	14.0
123.04445	5.4
123.08064	10.8
123.11729	4.6
125.05973	3.8
125.09632	4.3
128.06230	6.8
129.07005	23.6
130.07784	3.7
131.04987	3.3
131.08562	34.9
133.06497	30.6
133.10121	28.5
135.04471	2.8
135.08054	17.0
135.11673	12.1
136.08806	2.1
137.06027	2.5
137.09602	5.8
139.07582	1.8
141.07007	6.5
142.07767	5.2
143.08575	11.0
145.06503	14.5
145.10121	18.2
147.08038	30.9
147.11649	19.3
148.08694	2.1
149.06047	2.6
149.09618	11.8
149.13255	4.3
151.07527	2.1
151.11195	4.4
155.08560	6.0
157.10127	16.8
159.08029	5.7
159.11668	12.7
161.09610	18.5
161.13252	6.7
162.10381	4.9
163.07544	2.6
163.11191	12.6
165.09100	3.9
165.12758	4.6
167.08607	2.3
169.10129	6.5
171.11708	8.4
173.09641	4.5
173.13287	5.9
175.11192	15.9
177.12747	5.4
179.14305	3.0
182.10934	2.2
183.11667	3.6
185.13249	5.8
187.11220	7.9
187.14806	5.9
189.12753	5.3
193.12221	22.1
197.13258	3.8
201.12799	3.7
203.14374	4.9
205.12224	3.3
205.15880	4.5
207.13820	2.6
209.11649	3.9
211.13278	21.1
215.14339	6.8
227.12762	3.1
231.13693	2.7
233.15344	18.5
234.15990	2.0
249.14833	4.3
251.16382	4.2
261.14911	5.6
261.18503	2.7
267.15903	17.4
273.18454	13.4
275.20096	6.4
285.17026	2.6
289.17920	10.9
290.18671	11.0
291.19495	9.6
307.18933	8.9
325.20148	4.7
335.18625	2.6
347.22235	3.9
363.21649	2.5
381.22794	7.6
499.30347	3.8
517.31396	16.2
527.30157	3.7
545.30945	24.0
571.08490	2.2
573.34369	12.5
591.35541	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	590.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01636	2.3
55.01862	12.4
55.05507	9.1
56.05029	1.6
57.03429	1.8
57.07064	6.2
59.04981	3.0
62.68585	1.9
65.15118	1.6
67.05495	6.5
69.03425	12.6
69.07066	9.5
69.07373	1.7
69.83350	1.7
70.02948	4.8
70.05255	1.7
70.06594	9.3
70.91073	4.9
71.04998	3.2
72.04158	2.5
72.04521	23.5
73.02907	11.2
73.13994	1.9
74.02469	2.1
79.05496	5.6
81.02137	1.7
81.03414	16.2
81.07046	4.1
81.90684	2.1
83.04977	27.8
83.08609	2.7
85.02893	16.1
85.06541	10.0
86.06045	5.5
86.09653	1.8
87.08080	4.9
89.76738	1.7
90.05553	46.8
91.05470	7.4
93.07042	6.9
95.04947	9.6
95.08625	3.2
96.08139	2.7
97.02874	11.6
97.06516	2.5
97.10181	3.2
98.02418	13.9
99.04445	6.8
100.03985	5.7
103.03931	3.0
103.07565	3.5
105.07033	4.6
107.04941	2.2
107.08591	34.3
109.02870	26.3
109.06543	4.0
109.10101	2.5
111.08078	12.4
113.05997	6.0
116.03453	24.7
116.07074	2.3
116.10721	2.5
119.08556	2.5
121.10149	5.8
122.99317	1.9
123.04408	4.8
124.07573	22.6
125.06061	2.0
125.09604	2.8
126.10249	2.1
127.03893	21.4
127.07510	2.2
131.07028	3.4
132.06564	7.3
133.10129	4.8
135.08060	4.9
135.11588	1.8
137.05994	2.6
139.03908	6.3
142.08609	19.7
143.08427	2.4
145.04959	5.7
147.04417	2.1
149.09615	3.2
149.13258	4.5
151.03960	4.3
153.01837	5.2
153.09111	13.6
160.09653	5.0
166.08676	6.4
167.06999	2.3
172.09700	3.9
174.11365	8.3
181.04929	2.4
184.09677	35.2
191.14232	10.0
193.08736	2.1
198.07657	3.1
199.05946	9.4
202.10728	95.5
203.11246	3.6
207.06497	2.4
211.09657	8.6
212.16342	2.2
216.08755	5.9
217.05313	1.8
217.07031	8.8
220.11778	32.0
226.10735	2.2
230.10225	11.8
234.09717	14.9
244.11821	1.7
250.46352	2.0
262.12943	17.8
310.12823	10.1
314.19641	5.9
328.13870	82.4
346.14920	25.3
364.15988	100.0
365.16635	3.0
371.07462	5.1
382.16943	8.6
415.10272	5.8
590.31561	17.0
591.18243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.2
56.76537	3.1
57.03431	11.6
57.07067	37.1
64.65636	3.7
67.05503	40.5
68.01039	4.2
69.07066	17.6
71.01479	8.9
71.01842	7.9
71.08637	27.6
79.05486	36.2
81.07048	53.5
83.08620	11.0
85.06513	5.0
85.10178	16.5
91.05467	42.0
93.07041	50.5
95.08611	40.8
97.06507	4.7
97.10159	7.6
102.44040	4.0
105.07011	44.9
107.08585	23.0
109.10139	17.3
111.11629	4.7
117.07001	8.1
119.08591	40.0
121.10133	18.3
123.11687	5.8
129.06969	8.0
131.08549	19.3
133.10106	42.1
135.11693	16.5
136.97035	4.2
137.09448	3.6
143.08607	7.4
145.10080	11.7
147.11674	36.6
149.13274	6.5
157.10048	5.1
159.11700	15.7
161.13229	31.5
163.14862	4.0
171.11653	10.6
173.13268	11.0
175.14813	9.6
179.14261	4.4
185.13316	4.7
231.21042	11.4
239.23640	7.0
241.19475	37.0
259.20554	90.0
313.27344	100.0
313.30807	7.6
315.23227	10.1
333.24237	47.5
381.62830	4.0
566.88489	3.7
571.47168	13.3
589.48254	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	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05510	15.2
57.03436	7.9
57.07072	33.1
58.00979	1.2
63.49723	1.1
67.05502	37.8
69.07061	17.5
71.05010	1.8
71.08249	1.5
71.08632	29.3
73.06555	1.7
73.30738	1.3
79.05487	25.7
81.07051	43.4
83.08615	14.0
85.06503	2.7
85.10176	11.6
91.05474	37.6
93.07035	34.5
95.04932	4.1
95.08603	37.1
97.06521	2.5
97.10150	6.6
99.08066	3.4
103.05367	1.3
103.06356	1.4
104.89280	1.5
105.06309	2.6
105.07019	44.2
107.08591	20.1
109.10160	18.8
111.11673	1.9
115.05408	1.6
117.06999	9.6
119.08576	37.8
121.10133	15.7
123.11675	6.0
125.09545	1.3
128.06297	2.3
129.06996	6.4
130.07709	1.4
131.08562	17.5
133.10123	34.2
135.11684	16.9
137.13249	2.6
142.15965	1.3
143.08546	6.6
145.10115	18.0
147.07986	1.5
147.11681	36.7
149.09615	2.6
149.13281	11.5
150.22081	1.4
151.11118	1.8
151.74960	1.2
157.10126	6.1
159.11714	16.5
161.13245	34.6
163.11147	2.4
163.14777	4.7
171.11696	8.8
173.13225	8.0
175.11165	1.5
175.14822	17.1
177.12770	2.0
177.16330	1.7
179.14235	2.2
185.13254	10.2
187.14815	5.2
189.12726	2.9
189.16377	1.9
195.30017	1.5
199.14819	5.0
203.14288	2.2
213.16321	3.6
215.17905	2.3
217.19485	2.3
231.17422	1.9
231.21085	11.7
239.23679	4.7
241.19508	43.1
243.21072	1.5
257.24792	2.3
259.20563	96.9
262.72882	1.3
275.20068	1.8
277.21500	7.0
309.62714	1.5
313.27347	100.0
314.27530	2.0
315.23080	7.8
333.24219	54.1
365.23584	1.8
497.43146	2.3
571.46875	8.4
589.48157	19.2
590.49640	1.4
596.61243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01862	1.4
55.05510	14.4
57.03434	10.5
57.06794	2.3
57.07072	38.8
57.60635	1.0
62.07652	1.1
65.03969	1.5
67.05502	33.3
69.07063	15.2
71.04984	2.4
71.08630	22.0
79.05020	1.3
79.05488	27.6
81.07054	37.4
83.04990	1.5
83.08604	12.8
85.06539	2.5
85.10169	13.1
89.06019	1.2
91.04901	2.4
91.05473	45.7
93.07035	35.0
95.04957	3.9
95.08599	34.9
97.06545	2.6
97.10148	5.7
98.21574	1.8
99.08102	1.5
103.07555	1.5
105.07022	46.9
107.08584	22.3
109.06534	1.6
109.10162	17.2
110.95831	1.0
111.11707	2.3
111.65533	1.0
114.16356	1.1
117.07008	13.1
119.08575	43.4
121.10132	17.1
123.11699	4.9
128.06189	1.5
129.06984	7.6
131.08549	17.2
133.10126	34.8
135.08095	1.3
135.11668	14.1
137.13316	1.2
142.07764	2.0
143.08572	7.9
145.10124	16.7
147.10512	2.1
147.11678	37.8
148.12044	1.1
149.09607	1.4
149.13252	10.0
154.09718	1.1
157.10110	9.0
159.11705	14.9
161.09590	1.3
161.13245	37.3
162.13542	1.2
163.11153	1.7
163.14813	2.3
171.11670	12.2
173.13252	11.0
175.14816	16.0
179.14310	1.3
185.13258	9.7
187.14844	3.9
189.12755	1.6
199.13246	1.1
199.14763	5.6
200.19096	1.1
201.16371	1.8
203.14317	2.1
213.16429	2.8
215.17998	1.7
217.19456	1.8
231.17424	2.7
231.21057	12.6
239.23631	5.6
241.19496	43.1
250.51976	1.1
257.24692	2.4
259.20563	100.0
260.20914	3.2
277.21689	3.4
289.21594	1.2
313.27344	98.5
314.27606	2.8
315.23148	6.9
333.24203	52.4
334.24551	1.8
351.25058	1.4
418.05484	1.2
450.88931	1.4
571.47211	10.2
589.48236	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13913	2.2
53.03947	2.7
55.05499	13.0
57.02307	2.3
57.07074	29.9
65.96735	2.4
67.05502	46.5
67.05844	3.7
69.07066	16.4
71.08633	45.5
71.42323	2.4
77.20665	2.3
79.05495	31.5
81.07054	52.6
81.07530	2.6
83.04994	5.9
83.08602	14.1
85.06584	2.4
85.10189	8.8
85.58807	2.5
91.05490	26.6
93.07049	43.3
94.88921	2.1
95.04964	7.0
95.08612	44.4
95.09185	3.2
97.06512	5.8
97.10166	4.6
98.20793	4.8
99.08086	16.7
105.07006	16.4
107.04971	4.6
107.08603	26.4
109.06557	2.8
109.10139	15.2
113.09634	3.6
117.07037	5.2
119.08582	13.5
121.10141	21.1
123.11732	6.8
129.87672	2.5
131.08553	4.5
133.10117	16.1
135.11707	24.7
137.06087	2.4
137.09592	4.5
137.13284	2.6
145.10124	4.2
147.11711	9.0
149.13283	8.0
151.11223	9.2
161.13240	13.1
163.11159	5.8
164.09573	2.5
177.12811	2.5
179.14301	100.0
195.13864	3.1
221.15445	3.7
235.16905	5.8
239.23741	4.0
241.19548	9.5
259.20575	14.5
277.21606	71.7
295.22830	6.4
313.27374	11.0
332.54755	2.1
333.24161	4.3
427.76706	2.3
589.48297	96.0
590.48706	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	589.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01864	2.6
55.05512	22.5
57.03436	10.8
57.07079	59.9
63.06092	1.7
67.05505	46.1
69.07072	19.3
69.16586	21.5
71.04998	2.5
71.08634	41.8
79.05496	30.9
81.03417	2.7
81.07061	54.3
82.07359	2.3
82.90859	1.6
83.08625	18.2
83.72872	1.8
85.06529	4.6
85.10184	18.9
89.02312	1.8
91.05482	45.8
93.07048	40.3
93.07638	2.6
95.04967	4.5
95.07999	2.5
95.08607	49.8
96.08923	2.0
97.06540	4.3
97.10189	10.0
98.21542	4.0
99.08105	3.0
105.07031	50.1
107.08595	25.5
109.10164	21.1
111.11736	2.8
111.92030	2.0
116.50552	1.7
117.07018	12.0
119.08585	46.1
120.08974	1.9
121.10138	17.4
123.11699	8.6
129.07001	7.7
131.08551	22.1
133.10124	37.1
135.11674	17.8
137.13217	2.1
143.08591	8.9
145.10133	17.5
147.11685	40.4
148.12003	2.4
149.13246	8.6
151.11203	3.1
157.10130	6.9
159.11702	16.8
161.13251	33.3
163.11148	2.3
163.14893	2.7
171.11679	8.0
173.13252	10.1
175.14836	15.1
185.13220	10.3
187.14763	3.9
199.14781	3.8
215.18091	3.2
217.19412	2.2
231.21095	5.2
239.23682	4.6
241.19514	30.8
241.21831	3.5
242.20073	2.5
259.20575	69.1
260.21045	2.2
265.18149	1.8
277.21597	3.6
313.27347	100.0
313.68802	1.8
314.27478	2.6
315.23059	6.2
333.24277	39.5
349.24014	1.9
351.25180	2.8
368.17432	2.0
571.46796	11.5
589.25726	2.0
589.48425	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	589.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.2
55.01858	10.6
55.05508	24.6
57.03434	31.9
57.07069	2.6
65.03920	7.2
67.05503	87.3
67.31754	2.1
69.03419	3.7
69.07072	17.9
71.05000	5.5
71.52663	4.6
73.02906	8.0
77.86448	2.0
79.05491	73.8
81.03403	11.3
81.07056	60.0
83.04979	11.2
83.08604	9.6
85.06538	21.1
89.18235	2.1
91.05476	63.8
93.07041	64.7
95.04967	77.2
95.08601	38.9
97.06504	10.6
97.10134	4.2
99.08084	4.9
105.07025	47.9
107.04955	21.2
107.08585	35.0
109.06512	62.8
109.10136	11.6
111.08079	5.3
113.06003	51.0
115.05436	4.6
117.07011	20.0
119.08578	30.5
121.06483	8.6
121.10129	16.2
123.08064	9.2
123.11650	4.3
125.09603	3.5
128.06198	6.3
129.07021	13.8
130.07742	2.8
131.08542	24.2
133.06476	6.2
133.10127	20.6
135.08046	49.0
135.11674	16.6
137.09628	3.6
141.07008	3.3
143.08537	20.3
145.06415	2.8
145.10127	27.7
147.08029	10.2
147.11678	32.6
149.09593	9.3
149.13246	5.7
155.08472	3.7
157.10112	10.2
159.08081	6.4
159.11632	12.3
161.09642	18.2
161.13258	10.9
163.11188	8.5
165.09140	2.7
169.10117	2.9
171.11670	23.9
173.09755	2.8
173.13245	5.2
175.11182	3.5
177.12801	5.5
185.13246	6.3
187.11084	3.4
187.14735	5.4
189.12761	9.7
189.16353	9.3
191.17885	3.3
195.11774	3.6
199.14806	6.9
201.12955	2.5
207.13861	11.2
207.17474	5.0
213.16316	3.3
217.15869	19.6
223.13287	3.6
227.17896	3.7
245.18956	2.8
255.17435	6.4
273.18466	46.0
279.15897	5.1
281.17493	42.5
291.19510	100.0
347.22070	7.4
365.23126	8.4
421.34692	4.4
439.35547	6.5
457.36862	17.7
553.35028	9.0
571.36340	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	589.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34799	2.4
52.20946	2.6
52.32288	2.5
53.03938	6.9
55.01863	11.4
55.05503	35.9
57.03429	11.0
62.36769	2.4
65.03927	5.6
67.05499	69.5
69.03418	9.8
69.07065	29.1
70.97408	4.2
70.97711	3.0
71.04974	3.8
77.03889	2.9
79.05486	88.1
81.03400	14.1
81.06593	4.6
81.07052	71.5
83.04967	16.2
83.08618	22.5
85.06517	3.4
91.04912	3.7
91.05474	71.5
93.07035	77.9
95.04960	30.3
95.08596	38.8
97.02831	6.5
97.06524	8.3
97.10160	19.6
105.07025	51.3
107.04932	11.7
107.08573	38.9
109.06511	8.9
109.10146	13.7
111.08064	6.0
115.05380	2.6
117.07009	18.3
119.04896	3.3
119.08575	36.9
120.84605	2.4
121.06515	6.0
121.10123	13.1
123.08049	19.3
123.11704	5.2
125.09609	15.7
127.07527	3.0
128.06226	5.1
129.06990	22.0
131.08562	20.7
133.06483	7.0
133.10107	21.5
135.08029	6.0
135.11647	7.0
137.09624	4.1
141.06984	4.6
142.07744	2.9
143.08539	12.9
145.10101	18.3
147.08052	8.8
147.11664	30.1
149.09604	5.5
149.13301	4.5
155.08595	4.8
157.10114	8.9
159.11684	7.2
159.65041	2.4
161.09569	5.6
161.13216	12.9
163.11163	7.6
165.09122	5.7
167.08647	3.9
169.10118	4.5
171.11647	25.8
181.12202	3.1
185.13239	3.3
187.13298	3.2
189.11285	12.2
189.12744	10.9
205.15941	2.7
207.13789	20.5
223.13161	13.4
227.12654	12.0
249.14934	4.2
263.16278	2.6
264.17377	4.5
267.15887	4.9
273.18466	31.4
281.17441	53.6
291.19528	100.0
347.22110	4.6
365.23178	26.0
414.23840	2.7
461.69247	2.7
473.28775	4.4
491.30154	3.0
520.29791	2.5
571.22607	3.2
571.36218	79.2
572.36053	3.2
589.22009	3.8
589.36749	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	588.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.55251	1.2
55.05502	5.8
59.05000	12.7
67.05494	6.7
68.74801	1.7
69.03103	1.7
69.03422	7.8
69.07060	6.6
71.51319	3.0
72.04499	1.2
79.05494	8.0
81.03413	3.0
81.07047	6.5
81.91776	1.4
83.04974	9.6
85.02903	2.3
85.06495	1.5
86.99203	1.6
91.05457	7.0
93.07032	7.4
95.04964	4.9
95.08609	14.4
97.02840	1.7
97.06517	5.7
97.10165	2.7
99.04465	2.4
99.90652	1.6
105.07024	7.6
107.04932	4.1
107.08586	43.9
109.02892	11.6
109.06525	2.5
109.10159	17.5
111.08078	3.7
116.00897	1.3
119.08566	9.2
121.06490	2.5
121.10147	14.8
123.04458	1.7
123.08078	21.1
123.11732	2.2
125.00655	1.9
127.04005	1.9
131.08533	2.6
133.10133	6.5
135.08037	4.5
135.11673	2.3
137.05966	2.2
137.09633	9.9
141.09131	4.1
145.10164	3.4
147.04405	1.9
147.08029	2.7
147.11649	2.8
149.09618	1.8
149.13275	4.2
153.01877	1.8
153.09076	3.1
154.18257	1.8
165.09138	10.9
167.06992	2.4
173.13231	3.9
175.03836	1.8
177.05461	2.2
181.08626	1.6
183.10173	28.5
191.03360	2.5
191.14307	100.0
193.04657	1.6
201.11252	1.6
207.06435	2.7
209.15562	1.7
220.11633	1.7
303.15439	1.6
327.14240	2.2
345.15305	2.6
363.17987	1.5
588.24121	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	587.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14276	2.2
53.03944	4.6
55.01868	9.2
55.05509	37.2
57.03431	7.0
57.07074	34.8
67.05142	2.9
67.05500	60.8
69.07063	50.7
69.35044	8.7
69.35467	14.7
71.04989	3.0
71.08623	24.6
79.05489	45.3
81.07050	72.9
83.04971	4.0
83.08614	28.1
85.10181	11.5
91.05471	56.5
93.07032	48.0
95.04983	9.8
95.08598	57.3
97.06515	12.9
97.10167	11.5
105.07027	54.8
107.04913	4.9
107.08596	33.0
109.06464	4.6
109.10144	20.6
111.08104	2.7
117.07005	19.5
119.08578	37.0
121.10136	23.3
123.11727	6.1
125.09644	4.7
128.06204	2.6
129.07016	8.0
131.08559	30.4
133.10121	39.5
135.08054	5.8
135.11668	17.0
137.09688	2.7
139.07634	2.3
143.08521	11.7
145.10124	51.1
147.11673	35.6
149.09622	9.6
149.13246	10.5
155.08583	4.3
157.10139	6.8
159.11674	24.4
161.13240	18.2
163.11198	8.1
163.14815	4.8
165.09019	3.2
169.10210	3.3
171.11636	14.4
173.13257	14.2
175.14845	8.2
179.14352	7.8
183.11755	7.4
185.13272	7.9
187.14900	3.9
188.73114	2.5
199.14825	2.9
201.16422	3.5
213.16519	4.2
219.21080	2.9
229.19493	4.3
231.21077	4.6
237.22130	3.6
239.18025	10.5
239.23737	3.4
241.19556	14.8
247.20657	3.2
257.19000	33.1
259.20551	37.5
275.20041	43.2
289.28534	2.7
293.21170	4.5
302.63885	2.4
311.25824	35.7
313.21869	2.9
313.27295	20.9
315.23254	2.9
331.22614	13.1
333.24222	23.2
367.94406	2.8
495.42239	3.0
501.11475	2.5
569.45801	8.8
587.46698	100.0
588.46655	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	588.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.4
57.07061	1.6
59.04990	5.2
67.05492	8.5
69.03428	2.8
69.07064	5.4
70.15738	6.5
71.04988	10.6
79.05476	10.1
81.03435	1.8
81.07054	34.4
83.04991	1.8
83.08663	1.8
85.02898	3.6
85.06538	3.3
89.33298	1.4
89.77006	1.5
91.05482	13.9
93.07040	15.0
95.04949	10.2
95.08602	15.7
96.56849	1.5
97.06535	6.4
97.10194	2.2
103.05448	2.4
105.07030	38.4
107.04973	2.5
107.08588	11.1
109.06512	13.9
109.10103	1.6
111.11732	1.9
117.07001	3.3
119.08575	37.8
119.09383	2.9
121.06479	2.0
121.10139	91.0
121.47060	1.4
123.08067	4.8
123.11709	37.4
125.05997	14.1
125.09577	1.6
127.00383	1.4
129.06902	1.7
130.07695	1.4
131.08598	3.9
133.06461	3.5
137.09605	3.6
139.11188	24.9
142.02676	1.5
143.10689	3.7
145.10106	13.1
147.11681	47.5
149.09618	17.4
151.07579	2.3
156.09360	2.9
163.11157	4.2
163.83510	1.7
165.12755	2.6
167.10675	100.0
168.10941	1.6
171.11713	2.9
175.72575	1.8
185.11734	90.1
189.12746	34.7
207.13806	21.6
266.06512	1.8
329.15970	17.5
347.16974	7.4
588.26086	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	587.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	6.0
55.01852	4.9
55.05513	33.6
55.30143	4.1
55.96700	4.6
57.03428	12.0
57.07072	21.5
67.05501	76.5
69.07065	45.3
70.78117	12.2
71.08622	12.5
79.05491	47.9
81.07050	84.8
83.08611	34.0
85.06561	7.6
85.10178	7.2
89.06123	4.1
91.05473	62.9
93.07030	70.2
95.04948	6.8
95.08595	65.1
97.06528	10.1
97.10158	20.3
99.08112	5.5
105.07017	60.9
107.08591	42.0
109.10175	34.9
111.11755	7.0
117.07022	21.7
119.08565	63.2
121.10128	33.6
123.11683	14.7
125.09589	4.8
129.06984	7.9
131.08569	30.3
133.10120	51.2
135.11685	29.5
137.13324	5.5
143.08572	11.3
145.10100	36.4
147.11679	62.4
149.09607	6.9
149.13255	17.4
157.10139	11.6
159.11676	26.1
161.13258	40.1
163.14825	8.9
171.11670	14.2
173.13249	22.1
175.14822	18.8
185.13269	17.8
187.14755	6.6
199.14883	5.2
210.12714	4.8
214.23366	4.3
219.21062	4.6
231.20979	8.7
237.22069	9.7
239.17778	4.6
241.19498	43.8
257.18936	10.6
259.20569	91.5
275.20102	20.2
311.25751	100.0
313.27307	6.7
315.23349	8.4
331.22552	7.8
333.24191	48.7
337.47128	5.0
349.13702	4.4
495.42065	6.3
551.69751	4.9
569.45349	16.3
587.46649	95.0
609.75323	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	587.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
53.19241	1.9
55.01863	8.9
55.05505	22.4
56.35425	2.0
57.03436	3.9
57.07071	37.7
67.05502	41.0
69.07065	38.6
69.30919	19.9
71.08629	24.0
79.05493	30.8
81.07053	50.9
83.04971	4.5
83.08604	21.3
85.10178	14.4
91.05471	33.5
93.07043	29.2
95.04961	7.9
95.08604	38.4
97.06522	9.2
97.10168	10.2
99.08091	3.7
105.07030	36.1
107.04945	7.1
107.08581	18.8
109.06524	3.7
109.10155	15.6
117.07024	16.4
119.08567	23.5
121.10152	12.3
123.11715	5.4
125.09670	2.9
129.07005	8.5
131.08560	27.5
131.30145	2.4
133.10124	26.5
135.11711	9.3
137.13199	2.1
142.07715	2.6
143.08525	8.0
145.10107	27.1
147.11682	16.9
149.09631	8.9
149.13167	2.7
151.11201	2.9
157.10123	7.4
159.11687	17.1
161.09576	2.6
161.13274	7.6
163.11218	9.0
169.10136	3.9
171.11681	5.8
173.13300	6.6
175.14804	2.9
179.14349	7.3
183.11711	3.7
185.13293	3.9
187.11197	2.2
187.14946	2.6
215.17950	3.0
229.19536	3.5
237.22232	2.4
239.18007	7.5
239.23692	4.8
257.18964	29.8
259.20639	4.0
275.20020	46.3
275.22775	4.0
277.21570	3.3
293.21103	3.7
298.84253	2.2
311.25732	4.2
313.21817	2.9
313.27264	17.3
331.22708	7.0
333.24390	3.4
548.76202	2.2
587.46649	100.0
588.46838	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	587.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52049	0.5
53.03942	0.8
54.92208	0.5
55.01864	1.7
55.05509	2.6
57.03425	1.0
59.26847	0.5
65.03931	1.3
67.05505	4.1
68.99799	1.8
69.03431	4.7
69.07066	2.1
69.18036	5.8
71.01314	0.5
71.05005	1.2
79.01856	4.8
79.05495	4.4
81.03418	10.1
81.07056	5.6
83.04985	1.2
83.08632	1.0
85.02892	3.1
85.06549	0.9
91.05479	47.8
93.07044	4.1
95.04982	3.4
95.08604	2.7
97.02889	6.8
97.06519	1.2
99.04459	1.4
103.05469	1.6
105.07030	53.4
106.07391	0.5
107.01320	2.1
107.04946	1.9
107.08604	3.0
109.02875	5.6
109.06524	1.2
109.10147	2.6
111.00800	0.5
111.04462	1.0
115.05452	23.6
116.06239	0.5
117.06985	3.7
119.04935	1.2
119.08572	2.2
121.02835	0.8
121.06521	2.1
121.10158	1.9
123.04443	2.2
123.08091	1.0
123.11727	0.8
125.02367	4.4
125.09641	0.9
127.03922	6.2
128.06245	0.7
129.07021	2.8
131.04926	1.4
131.08594	1.6
133.06477	8.1
133.10136	1.8
135.04407	0.7
135.08073	1.1
135.11687	0.9
137.05997	1.2
139.03902	4.3
141.05453	6.4
141.07037	0.9
143.03394	6.3
143.08565	1.3
145.04982	1.6
145.06496	2.1
145.10138	1.0
147.04410	1.9
147.08044	0.7
147.11696	1.1
149.06035	0.9
149.09587	0.8
151.03992	0.9
151.07521	1.0
151.11220	0.6
152.06248	1.2
153.01828	100.0
153.02827	4.1
153.05440	3.5
153.06969	1.5
154.02213	0.5
155.08562	2.7
157.06473	7.1
157.10194	0.8
159.08037	0.9
159.11702	1.2
161.06007	1.3
161.09615	0.6
163.03935	1.0
163.07404	0.7
163.11253	0.7
164.04497	0.5
165.05481	1.6
165.06982	2.0
167.03461	0.7
167.08549	6.1
169.04987	1.7
169.10172	0.8
171.02890	11.0
171.08092	1.0
171.11690	0.5
173.05963	0.9
173.09605	0.5
175.03957	0.6
175.07503	1.2
177.05504	5.8
177.06952	0.8
179.14351	0.5
181.06496	1.3
181.10226	0.5
183.08261	0.7
185.06081	0.7
185.09618	1.4
187.07591	0.9
189.05524	1.2
189.09065	0.6
191.06941	0.7
191.14346	0.6
195.08064	4.2
199.11247	0.8
200.32556	0.6
201.12791	0.7
203.01231	0.5
207.06589	1.2
209.09563	0.8
212.08330	0.9
213.09081	1.9
214.18030	0.5
217.08633	0.9
223.07518	4.3
225.18408	0.6
227.07071	1.0
227.10628	2.3
237.09013	0.9
240.07802	0.7
255.10156	25.5
269.17413	1.0
273.11212	98.4
273.14453	4.2
274.11591	1.4
283.13272	0.5
285.14761	1.1
297.06061	10.7
301.14236	4.7
303.08417	0.7
303.15964	0.7
315.07111	4.2
315.12241	1.6
319.15341	0.8
363.12213	1.0
375.18124	0.9
381.13416	1.9
393.19122	0.7
399.14084	0.7
425.10165	0.7
425.19388	0.7
528.19867	0.6
541.31317	0.6
557.30646	0.7
569.30981	3.5
587.11639	0.7
587.31750	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	586.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05505	4.7
57.07066	1.0
59.04719	1.3
59.04996	22.5
63.15705	0.7
65.03935	0.8
67.05511	8.3
69.03428	5.4
69.07058	6.4
69.21800	6.4
69.22202	1.8
70.61992	0.7
71.04974	2.7
79.05493	6.6
81.03388	0.7
81.07060	5.9
83.04962	2.0
85.02872	2.3
85.06530	3.3
87.29935	0.8
89.45210	0.8
91.05479	14.4
93.07042	7.2
95.04959	4.7
95.08603	28.2
97.06526	10.8
98.21585	1.1
103.05440	2.2
105.07027	45.9
105.65248	0.6
107.04941	3.1
107.08582	9.7
109.02873	20.7
109.06511	13.3
109.10148	23.5
117.07004	3.8
119.08577	57.1
121.06517	0.8
121.10138	22.5
123.08058	40.0
123.11678	2.8
125.05965	2.6
125.09638	1.0
127.03935	1.2
129.07028	1.1
130.07805	1.2
131.08553	5.2
132.09306	1.8
133.06496	3.3
133.10095	1.3
137.09616	24.3
137.13272	1.3
139.11188	4.3
141.09100	13.0
143.08533	1.4
145.10130	13.1
147.08061	4.7
147.11682	61.5
149.09612	4.6
151.07526	2.6
155.10623	1.0
156.09390	2.4
161.09641	0.8
161.13271	1.6
163.11188	4.6
165.09113	26.6
165.12741	2.9
171.11674	2.7
183.10158	100.0
184.10533	0.9
189.12729	46.4
201.11217	7.1
207.06467	1.8
207.13783	31.8
233.20985	0.7
278.99646	0.8
306.06409	0.9
327.14380	6.5
345.11334	1.4
345.15436	21.0
345.19620	1.4
554.48639	0.8
586.23529	1.3
614.33990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.275
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
51.16164	2.9
53.03938	6.6
55.01851	3.2
55.05509	7.2
67.05504	14.6
69.03431	23.0
69.07065	10.3
69.17828	28.8
69.18250	9.1
71.04987	7.6
79.05495	17.1
81.03412	25.3
81.07055	28.5
81.61005	3.3
83.04982	18.6
83.08620	3.7
85.02903	8.9
85.06540	3.7
91.05492	6.4
93.07045	45.0
95.04962	11.9
95.08609	19.4
97.02879	8.4
97.06539	29.7
99.04446	21.5
105.07022	31.1
107.04969	5.0
107.08595	25.9
109.02888	28.9
109.06516	21.7
109.10142	6.7
111.08070	11.7
119.08593	17.1
121.06496	45.4
121.10155	7.8
123.04423	7.2
123.08060	7.5
123.11720	6.0
125.05991	13.7
127.03922	31.9
127.07546	10.1
129.07037	4.4
133.10136	14.5
135.08041	13.2
137.05968	6.8
139.07530	16.4
143.07043	13.1
143.08553	7.7
145.04951	7.2
145.10132	11.5
147.08015	5.5
147.11684	47.1
149.13339	5.6
151.07498	4.1
157.08583	5.4
157.10138	15.2
161.13263	9.2
165.12764	20.8
167.07043	5.8
169.12273	12.0
171.11714	13.2
175.11151	25.5
181.10028	3.6
187.06046	5.8
189.12695	16.8
193.12276	30.0
199.06534	3.3
199.11174	16.6
205.06943	5.3
207.13861	17.5
209.01939	3.0
211.13260	14.7
217.12230	57.7
229.14345	10.3
235.13293	82.4
253.14348	100.0
271.15408	13.2
321.11786	3.9
343.15680	4.5
361.16412	8.7
368.37433	3.7
379.17477	7.9
397.18591	11.6
415.19705	4.7
433.21286	3.8
492.73590	4.0
585.24268	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	585.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
62.91827	0.4
65.03941	0.5
67.05485	1.4
69.03421	0.6
69.07039	0.6
79.05479	1.2
79.47631	0.4
81.03370	0.5
81.07042	1.1
83.08612	0.5
91.05463	1.5
93.07037	1.0
95.04961	2.1
95.08601	0.9
98.20718	0.6
105.07022	1.1
107.08573	1.2
109.10162	0.8
111.04435	0.7
117.06960	0.5
119.04935	0.5
119.08533	1.0
121.02905	0.5
121.10148	0.7
122.03595	0.5
125.05968	0.9
131.04900	0.5
131.08592	0.6
133.10104	1.1
135.11624	0.5
138.03108	3.0
145.10179	0.7
147.04396	2.0
147.11678	0.5
151.03964	0.5
153.05437	0.5
155.07030	2.0
166.02565	2.1
173.13229	0.6
181.04944	100.0
182.05292	1.2
183.11690	0.5
184.03679	2.6
202.07794	1.5
203.08484	2.8
204.09436	0.5
205.10115	1.1
207.06546	0.5
213.96005	0.4
218.46974	0.5
221.09593	0.5
231.08038	5.8
235.07570	0.6
259.07532	11.0
295.20016	0.4
301.10873	0.5
385.14313	9.2
399.45850	0.4
413.14029	2.3
423.31299	0.6
609.50446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05494	0.9
65.03937	7.0
67.05488	1.8
69.03422	1.4
70.51333	2.1
79.05493	1.0
81.03427	0.8
81.07052	1.1
82.04206	1.0
85.02899	0.8
90.91197	0.6
91.05450	1.9
93.03388	4.2
93.07041	0.9
93.24438	0.7
95.01314	1.0
95.04959	2.3
95.49948	0.6
97.02885	0.7
97.06544	0.7
100.23259	0.7
105.06985	1.1
107.04932	2.5
107.08658	0.7
108.02086	0.6
109.02856	1.5
109.06534	0.7
110.03670	6.3
111.00809	0.8
111.04443	8.1
119.04886	0.7
121.02861	39.7
121.06474	0.8
122.03175	1.1
123.04474	0.8
123.07987	0.8
125.05973	8.1
129.07024	0.7
133.02812	0.8
133.10228	0.6
135.04396	1.6
135.95396	0.6
137.02289	1.9
137.05984	2.1
138.03204	0.5
139.03828	0.6
139.37572	0.6
145.06424	0.8
147.04407	1.0
149.02359	2.2
149.05939	0.8
151.03903	21.9
151.05029	1.0
151.07474	1.3
153.01817	2.2
153.05469	17.0
153.06766	1.0
159.08052	0.9
159.11758	0.6
161.05974	2.4
161.09625	1.4
162.06653	0.8
163.03944	1.2
165.01802	1.1
165.05457	0.8
165.06963	1.0
167.07019	1.5
171.08191	0.8
173.05977	0.9
175.07553	0.9
177.05504	1.0
178.06287	1.0
178.07735	0.7
181.06458	1.3
183.02859	0.8
183.08058	0.6
184.05113	0.8
188.24139	0.6
189.09062	1.2
191.06998	0.7
194.07227	0.7
195.06464	1.3
195.08063	2.2
197.05934	0.9
197.09689	0.8
201.05473	1.6
206.07294	0.8
207.09927	0.7
208.08530	0.8
209.05969	0.7
209.09737	0.7
210.06786	2.1
211.07494	2.1
212.08313	1.7
214.06172	0.7
219.08012	0.8
221.06000	1.2
221.09589	2.3
222.06818	0.8
223.07513	3.2
223.11177	1.5
224.08444	1.1
225.09100	2.4
227.07011	2.0
227.10541	0.9
229.04973	2.1
235.07419	1.2
237.09099	2.0
238.06293	1.2
238.09879	2.1
239.07040	2.7
240.07744	5.6
241.08458	1.2
249.09091	2.0
249.11301	0.7
250.09744	0.8
251.07089	1.9
252.07800	2.3
253.08568	12.7
253.12291	4.6
254.09294	1.9
255.06496	2.4
255.10223	3.8
257.04523	1.5
257.08151	1.5
265.08664	0.9
266.05792	0.7
266.09393	2.6
267.06613	0.7
267.10214	2.7
268.07257	1.7
269.08047	2.7
270.08871	2.0
271.13345	1.0
277.08539	1.0
281.08569	3.5
281.11417	4.0
282.08902	0.8
283.09784	6.2
284.10342	2.5
285.03857	0.9
285.11179	3.3
285.14777	2.0
294.09009	1.1
295.09595	2.5
296.10376	1.0
297.11148	1.2
298.08850	0.7
298.11975	2.5
299.12793	4.6
300.09744	1.0
303.04965	54.9
304.05313	3.1
309.11203	5.6
310.11847	2.0
311.12772	0.8
313.10666	6.8
313.14365	4.0
327.12271	23.8
328.12918	1.7
331.15338	3.1
339.12137	1.1
341.13815	3.5
353.14011	1.0
359.14862	100.0
360.15326	4.0
371.14935	3.9
372.15561	1.9
585.29419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.07058	1.2
57.40135	0.7
62.88473	0.7
63.69344	0.7
65.03940	0.9
67.05487	3.4
68.84513	0.8
69.07047	2.0
69.55167	3.3
69.55602	2.9
74.09188	0.9
76.45443	0.7
79.05484	3.4
79.07292	0.9
81.03415	0.8
81.07074	4.5
81.07462	0.8
82.02548	0.8
83.08607	2.0
91.05476	9.2
93.07030	4.0
95.04963	1.6
95.08593	3.4
97.06546	1.2
98.76591	0.9
105.07031	4.1
107.04958	1.7
107.08589	2.0
109.06490	1.6
109.10158	2.0
111.04436	1.3
117.07008	1.5
119.08569	3.5
121.02848	6.4
121.06496	1.5
121.10102	3.3
123.04424	1.1
125.05930	1.3
129.06931	1.1
131.08562	1.9
133.10159	1.7
135.08061	1.3
135.11696	1.3
138.03111	2.0
143.08574	1.0
145.10095	1.9
147.11670	1.7
151.03810	0.9
151.07533	2.7
155.07001	2.8
155.08464	1.1
157.10060	1.4
159.11726	2.1
163.07491	0.8
166.02585	2.3
167.07014	1.2
168.09209	1.0
171.11726	1.4
177.05388	0.8
179.06992	2.0
179.08456	0.9
181.04941	100.0
184.03638	2.7
185.13220	1.3
192.04141	3.6
193.05028	2.9
197.13214	1.3
207.06506	29.8
207.08316	1.3
221.09697	1.3
227.10689	1.2
231.08044	3.5
235.05980	29.9
249.09120	3.0
255.10071	2.2
277.08603	2.6
431.14828	3.2
584.40808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49069	0.2
52.39828	0.2
53.03946	0.5
55.01867	0.6
55.05506	0.4
57.03433	0.5
65.03938	4.4
67.05499	0.7
68.99789	0.9
69.03416	0.6
69.07055	0.4
69.62123	1.7
76.23041	0.2
79.05491	0.7
81.03414	0.8
81.07054	0.7
82.04212	0.2
83.08634	0.3
85.02914	1.4
91.05481	1.0
93.03414	1.7
93.07039	0.7
95.04976	1.1
95.08605	0.5
97.02895	0.9
97.10181	0.3
99.04469	0.4
105.07030	0.9
107.04955	0.6
107.08599	0.5
108.51797	0.2
109.02880	1.1
109.10182	0.3
110.03651	0.9
111.00799	1.0
111.04434	2.0
113.36084	0.2
119.04924	0.3
119.08547	0.5
121.02861	66.4
121.10121	0.4
123.04434	0.4
123.08072	0.2
125.05998	1.7
125.09618	0.3
127.03919	0.6
129.07013	0.3
131.04906	0.3
133.06471	0.3
135.04393	0.6
137.02332	3.0
137.03329	0.4
137.05971	0.5
139.03929	1.7
139.11157	0.2
141.44743	0.3
145.06567	0.5
147.08067	0.3
147.11656	0.4
149.02313	0.5
151.03915	3.8
151.05020	0.2
151.07497	0.3
151.13972	0.2
153.01845	4.1
153.05463	3.4
161.05986	0.4
163.03912	0.9
163.07515	0.2
165.01825	1.8
165.05515	0.3
166.02592	0.4
167.07060	0.8
173.05946	0.6
177.05496	0.4
181.04919	0.6
181.06424	0.3
182.05467	0.2
183.02997	1.2
183.04298	0.4
187.03944	0.4
191.06880	0.3
191.14198	0.3
195.10147	0.4
201.05511	2.0
205.05057	0.3
210.06773	0.4
211.07498	0.3
212.08304	0.3
219.06378	0.3
221.09509	0.3
223.07632	0.6
224.08359	0.4
225.09105	0.4
227.07024	0.5
228.04128	0.3
229.04970	5.2
237.09155	0.3
238.06236	0.3
238.09865	0.5
239.06917	0.4
240.07817	1.1
247.06015	0.7
249.09038	0.4
249.11334	0.3
251.06921	0.3
253.08650	2.2
253.12224	0.9
255.06561	0.4
255.10147	0.6
257.04456	2.8
257.07932	0.4
265.07047	0.5
266.09360	0.5
267.10278	0.5
268.07382	0.5
269.07962	0.5
270.08755	0.3
274.04852	1.1
275.05463	0.4
277.08575	0.4
281.08051	0.8
281.11597	0.5
283.08234	1.1
284.10349	0.3
285.04047	1.3
285.11191	0.6
295.09616	0.7
299.12643	0.9
300.09497	0.2
301.14334	0.4
303.04974	100.0
304.05234	1.0
309.11221	0.8
310.11984	0.4
313.10992	1.2
313.14102	0.4
327.12265	4.0
341.13889	0.7
345.06036	0.4
357.13116	0.3
359.14865	15.1
369.06030	0.3
371.14661	0.7
379.09973	0.4
567.29230	0.3
585.21570	0.4
585.29578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1233
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.00302	0.2
53.03942	0.3
55.01863	0.4
55.05488	0.3
57.03421	0.4
65.03616	0.3
65.03938	4.4
67.05490	0.9
68.99789	0.6
69.03426	0.7
71.01347	0.2
71.04985	0.2
79.05486	0.7
81.03409	0.8
81.07040	0.7
82.04201	0.3
83.08611	0.3
85.01984	0.1
85.02897	1.2
89.40378	0.2
91.05473	0.6
93.03391	1.7
93.07024	0.5
95.01325	0.2
95.04974	1.4
95.08595	0.4
97.02880	0.6
97.04463	0.1
97.06516	0.3
97.10133	0.2
98.03667	0.2
105.07048	0.6
107.04963	0.8
107.08593	0.5
108.02107	0.2
109.02895	0.9
109.06561	0.2
109.10136	0.5
110.03659	1.4
111.00807	0.9
111.04428	2.2
117.07018	0.2
119.04932	0.3
119.08572	0.5
121.02859	64.0
121.06479	0.6
121.10151	0.3
122.03202	0.5
123.04455	0.3
123.07990	0.2
123.11725	0.2
125.06018	2.0
127.03896	0.9
131.04936	0.4
131.08545	0.4
133.06502	0.2
133.10147	0.3
135.04396	0.5
135.08026	0.3
137.02332	3.6
137.05949	0.6
139.03914	1.4
141.05481	0.2
143.08546	0.2
145.02823	0.3
145.04997	0.2
145.06458	0.3
147.04396	0.2
147.08041	0.3
147.11635	0.3
149.02361	0.8
149.05905	0.2
151.03912	3.8
151.05054	0.2
151.07513	0.5
153.01825	4.4
153.05460	3.5
155.04892	0.4
157.06541	0.2
159.07968	0.3
161.06017	0.8
161.09639	0.5
163.03911	0.7
163.07527	0.2
165.01822	2.2
165.07008	0.3
166.02747	0.2
167.07030	0.5
167.08559	0.2
173.05948	0.6
175.03877	0.2
175.07613	0.3
177.05475	0.7
178.06154	0.2
178.07732	0.3
179.03348	0.2
179.08566	0.4
181.04932	0.7
181.06432	0.3
182.07130	0.2
183.02888	1.1
183.04405	0.4
187.03949	0.4
187.07416	0.2
189.05504	0.3
189.09108	0.3
191.03365	0.3
191.14178	0.2
193.08476	0.3
195.02928	0.3
195.06500	0.3
195.08125	0.4
197.06029	0.4
197.09550	0.3
201.05455	2.0
203.08542	0.2
205.04935	0.3
207.08160	0.3
210.06668	0.4
211.07541	0.5
215.03151	0.2
217.04929	0.2
219.06483	0.4
221.09724	0.3
222.06789	0.2
223.07689	0.4
225.09119	0.6
227.06958	0.3
228.04233	0.3
229.04942	4.6
234.06708	0.3
237.05417	0.3
237.09145	0.4
238.06192	0.3
238.09889	0.4
239.03459	0.4
239.07051	0.4
239.10608	0.3
240.07857	1.3
241.08594	0.3
247.05991	0.8
249.09138	0.5
251.06949	0.6
251.10789	0.2
252.07808	0.4
253.08578	2.5
253.12210	0.7
254.09389	0.4
255.06454	0.5
255.10150	0.7
257.04459	2.9
257.07907	0.3
265.06866	0.4
266.09314	0.3
267.06775	0.3
267.10077	0.6
268.07382	0.4
269.08002	0.7
270.08972	0.4
274.04709	0.7
275.05460	0.2
281.08087	0.6
281.11670	0.7
282.08838	0.3
283.08264	0.8
283.09534	0.9
283.12967	0.4
284.10440	0.6
285.03897	1.5
285.06891	0.3
285.11255	0.5
285.14682	0.4
293.08243	0.2
295.09692	0.5
297.11023	0.3
298.12003	0.4
299.09650	0.2
299.12753	0.9
301.14230	0.4
303.04968	100.0
304.05371	1.1
309.11166	1.3
310.11905	0.4
313.10672	1.5
313.14395	0.6
315.04852	0.2
327.12274	4.7
328.12897	0.2
331.15292	0.4
341.13806	0.4
345.06119	0.4
357.13251	0.5
359.14859	17.6
371.15045	0.9
372.15723	0.2
379.10117	0.4
411.06958	0.3
567.29401	0.2
585.22260	0.5
585.29608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1233
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
54.58913	0.4
65.03931	3.0
68.99788	0.7
69.03434	0.5
69.21651	0.4
71.03476	0.5
71.03816	0.8
81.03398	0.5
85.02901	0.8
92.38718	0.4
95.04952	1.6
97.02890	1.0
104.02572	0.4
109.02846	0.6
111.04426	1.5
121.02860	100.0
122.03204	1.1
127.03893	0.9
137.02344	1.9
139.03920	2.0
145.04919	0.4
153.01813	3.4
153.83244	0.4
165.01836	1.2
173.06059	0.7
183.02931	0.4
201.05498	0.8
205.05049	0.4
223.06117	0.4
229.04982	2.5
257.04425	1.4
265.07025	1.0
274.04861	0.6
283.08142	6.1
285.03833	0.6
303.04971	54.1
304.05283	1.0
345.05981	0.5
411.06689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
53.69968	2.7
55.05501	9.6
57.07067	9.7
59.04996	4.0
62.71997	2.6
67.05499	19.6
69.03432	5.7
69.07063	12.0
69.26803	22.1
69.27219	8.2
74.11415	3.2
79.05502	20.7
81.07057	26.6
81.59035	3.2
83.05027	4.7
83.08594	5.3
85.06543	6.7
88.07610	3.3
88.47043	2.5
89.06024	12.7
91.05479	34.5
93.07043	41.4
95.04992	8.0
95.08598	23.1
105.07024	58.8
107.08594	37.0
108.05605	2.9
109.06519	12.6
109.10153	12.9
115.05482	4.2
117.07005	15.7
119.08575	65.0
120.09339	4.7
121.06503	5.7
121.10122	22.9
123.08062	12.1
125.06017	3.3
128.06258	9.3
129.07011	12.3
129.93307	2.8
130.07774	4.7
131.08568	36.1
133.06430	3.7
133.08582	8.1
133.10114	35.0
135.08090	7.6
135.11681	9.7
137.09544	8.4
141.06958	3.3
142.07771	14.3
143.08578	28.4
144.09343	8.8
145.10106	49.4
146.10809	3.5
147.08051	16.6
147.11696	14.5
149.09613	9.5
151.07570	7.5
155.08569	15.3
156.09325	12.0
157.10118	42.5
158.10866	10.4
159.08078	3.8
159.11691	31.9
161.09590	8.3
161.13251	4.9
163.11180	10.6
165.09128	21.0
167.08539	8.0
168.09352	4.4
169.10138	17.3
170.10870	7.7
171.11656	29.6
172.12473	6.8
173.09601	5.5
173.13286	14.5
175.11205	15.2
175.14864	8.8
177.12785	3.3
179.08597	6.0
181.10126	12.1
181.12103	5.1
182.10941	4.8
183.11656	18.8
184.12402	3.6
185.13213	18.0
187.14839	8.3
189.12747	10.4
190.13559	5.3
193.10231	5.5
193.12253	8.1
194.10970	7.1
195.11742	17.2
195.13686	3.3
195.79068	2.9
196.12366	4.5
197.13254	17.8
199.11115	2.9
199.14848	10.0
201.12798	4.7
201.16489	2.8
203.14299	15.0
206.10832	4.6
207.11684	11.7
207.13812	8.4
208.12483	3.4
208.14532	7.9
209.13283	11.4
210.13824	2.9
211.14772	10.2
213.16464	4.7
221.13409	5.0
221.15344	50.3
221.70470	2.9
222.14072	3.7
223.14891	10.4
225.16275	3.8
234.16226	9.7
235.14894	5.4
236.15398	3.7
237.12737	4.8
246.14165	3.1
247.14604	4.7
247.16905	7.3
261.16296	3.9
263.17911	5.7
265.15671	3.1
267.68613	3.8
281.19128	4.8
283.20557	3.5
286.19226	3.7
287.20474	3.2
299.20035	11.1
311.29477	4.5
312.24438	3.3
325.21588	9.5
337.21558	8.0
352.23941	66.8
365.24661	14.9
371.22583	3.4
378.25665	3.4
391.25861	3.4
398.27930	3.3
404.30630	5.8
412.29840	15.8
425.30624	3.7
438.31290	9.5
489.33636	3.5
491.35046	13.1
492.35605	4.7
504.35934	100.0
505.36157	4.2
566.41296	3.5
584.42090	23.6
584.55945	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	584.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
54.43749	2.7
55.01870	4.9
55.05496	8.4
57.03440	3.1
58.51558	2.3
59.05013	3.5
59.60072	2.2
65.03922	4.2
67.05508	10.3
69.03429	12.5
69.07063	5.8
71.04979	3.6
71.52631	3.7
75.76894	2.4
79.05488	27.9
81.03418	15.0
81.07049	24.0
83.04952	4.9
83.73951	2.3
83.84148	2.4
85.02907	16.4
85.06525	5.0
91.05476	28.5
93.07039	16.6
95.04962	6.5
95.08607	13.6
97.02881	9.1
97.06528	10.4
97.10184	3.8
99.04433	4.2
103.05421	2.8
105.07027	60.9
107.04932	6.2
107.08591	100.0
109.02892	9.5
109.06522	25.6
109.10155	9.4
111.04405	3.3
115.05473	7.2
117.07003	10.7
119.05006	2.5
119.08575	59.5
120.04457	4.7
121.02851	26.7
121.06487	5.1
121.10143	18.3
123.04388	5.3
123.08060	8.7
123.11691	14.7
125.05998	7.3
127.03936	16.0
129.76765	2.5
130.07796	3.9
131.04898	4.5
131.08574	13.1
132.09312	2.8
133.06517	6.5
133.10117	5.7
135.04343	2.9
135.08046	40.4
135.11726	2.5
137.05971	9.6
137.09627	6.3
143.08557	5.2
145.02782	3.3
145.10124	20.2
147.04456	3.6
147.07961	3.8
147.10526	3.7
147.11681	67.9
149.09596	13.4
151.03900	9.9
151.07573	5.1
153.01799	2.9
153.05455	5.6
153.09084	16.7
156.09329	5.0
159.04318	2.9
159.07959	2.6
159.11702	3.6
161.06015	3.1
161.09549	4.0
161.13219	3.2
163.03886	2.8
163.07529	98.5
163.11150	7.2
165.12724	5.6
167.07030	13.2
167.10683	4.7
171.11674	8.1
173.09654	6.9
175.03865	5.5
177.05498	11.0
181.04961	3.5
181.08571	40.3
189.12726	67.9
199.09682	15.3
201.09206	3.6
207.06509	7.3
207.13811	33.5
211.13007	3.1
215.03391	3.6
225.14813	3.3
233.11526	3.3
251.12706	4.4
253.08675	3.2
254.17249	3.2
274.04147	2.3
289.10638	6.9
303.04941	34.6
307.11758	19.4
313.10580	3.2
325.12811	79.9
327.12204	7.0
343.13882	17.2
359.14914	21.8
522.03284	2.5
584.25647	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27076	4.1
53.03933	8.4
55.05505	17.1
57.07069	13.7
67.05501	34.0
69.03428	9.1
69.07055	21.7
71.01601	10.1
76.27887	5.5
79.05479	33.1
81.07051	51.7
83.04961	11.0
83.08606	12.7
85.06532	12.8
91.05474	72.6
93.07041	69.9
95.04960	14.0
95.08599	51.6
96.53776	4.7
97.06516	6.6
105.07027	100.0
107.08588	59.6
109.06541	12.3
109.10139	29.3
111.08062	5.4
113.65851	4.5
115.05399	5.5
116.06154	4.8
117.07022	26.0
118.08604	4.0
119.08578	95.7
121.06474	5.3
121.10146	62.3
121.79855	4.5
123.08065	17.3
123.11680	5.9
125.05991	4.6
128.06245	10.7
129.06989	26.3
130.07753	10.0
131.08563	54.6
133.06422	5.6
133.10123	56.8
135.08047	14.7
135.11684	19.5
137.09590	11.8
141.06995	9.7
142.07800	27.8
143.08559	55.9
144.09265	9.8
145.10135	79.6
147.08012	17.9
147.11670	30.4
149.09612	14.4
149.13193	5.5
151.07518	8.9
151.11221	9.4
155.08551	23.1
156.09338	29.0
157.10127	72.0
158.10899	14.0
159.11671	33.0
161.09595	10.1
161.13229	10.7
163.11153	10.1
165.07008	7.5
165.09071	23.0
167.08559	13.9
167.10620	24.2
168.09355	11.8
169.10092	31.1
170.10883	7.8
171.11668	44.7
172.12248	4.4
173.09631	6.5
173.13248	44.6
175.11194	9.1
175.14799	12.7
179.08543	25.0
180.09334	10.7
181.10112	19.0
181.12180	8.9
182.10896	11.8
183.11678	43.9
184.12442	10.8
185.13310	21.1
187.14758	9.8
189.12733	7.2
191.08589	6.1
191.14316	17.3
192.09302	8.5
193.10092	23.5
194.10913	17.0
195.11697	32.8
196.12418	7.1
197.13242	25.3
199.14796	21.9
203.14272	12.8
206.10834	10.3
207.11679	18.6
207.13676	8.9
208.12437	11.9
209.13254	46.5
211.14806	16.1
212.91045	4.4
217.15819	15.0
219.11678	12.0
220.12488	8.7
221.13257	22.3
221.15363	57.0
222.13969	6.4
223.14816	18.9
225.16431	5.6
231.11662	12.0
232.12338	6.1
233.13237	19.6
233.15352	11.1
234.14124	5.9
235.14839	13.0
237.16345	15.6
239.14426	5.3
239.18048	7.4
243.11868	5.7
245.13219	13.9
246.13992	5.5
247.14774	14.8
248.15633	5.4
249.16351	10.7
251.18016	9.7
255.17493	6.2
257.19025	6.9
259.14828	7.0
261.16455	20.4
263.17926	12.7
265.19534	10.9
269.18829	6.7
273.16257	10.3
275.17941	18.6
277.19070	5.7
283.20563	15.8
289.19452	8.3
331.24115	9.0
349.25317	7.7
375.26831	5.0
439.38434	4.6
491.34323	6.9
503.34644	5.0
547.39563	5.9
565.40125	22.4
583.41455	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.05507	6.5
57.07071	5.8
67.05501	16.0
69.03428	5.0
69.07064	5.7
69.26544	6.9
69.26957	18.5
78.34216	2.3
79.05482	11.5
81.07047	14.7
81.41856	2.3
83.04968	3.6
83.08629	5.1
85.06544	3.6
91.05489	16.0
93.07040	26.6
95.04965	4.0
95.08605	24.9
105.07028	31.3
107.08570	14.5
109.06516	6.4
109.10120	12.3
117.07011	5.2
119.08587	24.5
121.06484	3.1
121.10132	18.1
123.08071	17.2
123.11737	3.3
128.06155	2.9
129.07039	8.3
131.08557	13.3
133.10132	18.8
135.08086	7.4
135.11716	7.7
137.09596	9.2
139.82495	2.9
141.07043	3.9
142.07794	8.3
143.08565	12.2
145.10094	22.3
147.08006	14.9
147.11716	6.1
149.09695	3.9
151.07573	15.9
153.06981	2.9
155.08601	6.8
156.09360	4.2
157.10115	22.0
159.08051	2.9
159.11691	17.5
161.09602	3.2
161.13237	3.3
163.11133	4.3
165.09099	33.4
169.10167	7.4
170.10965	5.3
171.11697	13.4
173.13280	8.9
175.11211	2.8
175.14899	3.1
179.08643	4.7
181.10167	6.6
182.10928	3.1
183.11694	9.2
185.09647	2.6
185.13298	11.1
187.14795	2.9
189.12784	5.7
189.16536	2.5
193.10158	7.2
195.11693	8.5
197.13280	12.0
199.14867	4.4
203.14307	9.5
207.11742	6.8
207.13881	8.2
209.13313	12.2
209.15266	2.4
211.14821	6.2
213.16315	2.8
219.11777	3.2
221.13242	6.1
221.15343	61.8
223.14836	6.7
235.14880	5.9
237.16382	3.2
239.17902	3.4
241.84831	2.5
247.14726	3.4
249.16512	4.3
251.18118	3.1
253.19650	3.6
265.19479	3.8
271.20734	2.4
275.17877	4.2
279.21243	2.7
283.20660	4.0
297.22098	5.9
299.20093	2.9
324.42627	2.8
333.21921	2.8
349.25388	3.6
352.24069	3.8
357.25833	3.7
375.26639	4.6
375.58612	2.6
403.30045	9.5
503.35101	8.7
547.39240	4.9
565.40308	29.2
583.41455	100.0
588.26947	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79431	1.8
53.03933	6.3
55.05510	18.4
57.07069	11.6
59.04989	6.3
65.03921	5.9
67.05502	28.5
69.03417	9.2
69.07066	22.8
69.46004	13.3
71.05003	1.7
79.05481	26.5
81.06596	3.0
81.07053	37.8
81.07526	2.4
83.04965	7.6
83.08612	9.1
85.06535	7.6
89.23351	1.5
91.05473	55.4
93.07034	71.8
95.04956	15.5
95.08607	39.3
97.06528	9.3
98.21481	3.8
103.05467	6.0
105.07021	83.7
107.08585	48.6
107.09310	2.6
109.06505	11.6
109.10149	26.0
111.08112	3.9
115.05487	5.4
117.07008	23.8
117.92452	1.7
119.08574	90.6
121.06506	4.7
121.10134	63.3
123.08054	20.9
123.11656	7.9
125.05943	3.9
125.09610	6.7
128.06187	15.7
129.06990	17.5
130.07790	10.3
131.08556	40.8
133.06488	4.6
133.10117	47.7
135.08025	10.6
135.11674	15.5
137.09604	8.7
139.11192	4.5
141.06955	10.8
142.06696	1.1
142.07771	31.2
143.08551	46.6
144.09373	8.7
145.10107	59.8
146.10796	1.7
147.08020	11.6
147.11685	22.2
149.09607	10.4
149.13213	4.4
151.07558	13.7
151.11143	2.6
153.06967	6.0
154.07776	4.6
155.08553	19.6
155.10622	2.4
156.09329	22.2
157.10114	61.0
158.10939	9.6
159.08051	7.0
159.11690	37.1
161.09630	8.6
161.13228	11.1
163.11176	9.5
165.07022	9.4
165.09070	18.5
165.12811	1.9
166.07780	4.6
167.08551	12.9
167.10661	34.7
168.09395	8.1
169.10120	37.4
170.10899	9.3
171.11673	35.3
172.12463	4.2
173.09608	5.7
173.13263	30.8
174.10445	1.8
175.11180	6.5
175.14815	11.8
177.09081	3.0
178.07797	3.7
179.08543	18.2
180.09355	5.1
181.10127	19.8
181.12231	6.5
182.10895	10.5
183.11658	30.3
184.12428	5.7
185.13260	23.6
186.10448	1.9
187.11235	3.3
187.14771	9.3
189.12726	9.1
191.08638	3.8
191.14316	9.7
192.09332	7.0
193.10136	20.3
194.10889	13.0
195.11676	28.7
196.12387	8.5
197.09721	1.9
197.13245	26.7
199.11221	2.9
199.14827	16.5
201.12823	2.2
201.16412	5.4
203.14319	10.3
205.10144	5.6
205.15712	1.9
206.10947	9.4
207.11696	22.3
207.13818	10.2
208.12476	10.2
209.09793	2.0
209.13242	32.7
209.15154	2.5
210.14055	6.3
211.14803	16.4
213.12685	4.0
213.16331	5.6
215.14304	4.8
216.71721	1.6
217.10207	2.4
217.15759	9.4
218.10849	4.4
219.11676	8.7
219.17484	2.5
220.12469	6.8
221.13258	18.7
221.15404	31.9
222.13994	5.3
223.11153	3.0
223.14819	19.9
224.15549	3.6
225.12775	2.4
225.16425	6.6
227.14345	3.6
229.10210	2.2
230.10817	3.6
231.11713	7.3
231.17517	2.3
232.12471	3.7
233.13602	11.7
233.15161	12.3
234.14087	4.9
235.14787	15.0
236.15550	4.2
237.16440	10.3
239.17917	5.2
241.15845	3.2
243.11670	3.2
244.12468	3.7
245.13313	6.5
246.14055	6.4
247.14844	11.1
247.17030	3.2
248.15515	3.4
249.16299	10.8
250.17085	4.3
251.17836	8.6
253.19420	2.9
255.17508	3.2
257.13162	3.5
257.19156	8.2
258.13922	3.7
259.14810	7.1
260.15601	4.5
261.16400	12.3
262.16986	3.3
263.17929	6.5
265.16254	2.1
265.19528	9.2
267.17542	3.0
269.19080	5.4
271.14728	3.4
271.20697	2.3
272.15378	2.6
273.16345	5.5
273.18881	2.9
274.17096	3.2
275.17957	11.2
276.18695	3.8
277.19550	6.3
278.81796	1.9
279.20901	2.1
281.18964	4.1
283.20557	15.2
284.15668	2.2
285.16147	2.9
287.20282	3.0
289.19519	8.1
291.21158	2.6
293.18942	3.8
295.20551	4.2
297.22012	2.7
298.16907	2.1
299.17621	2.2
299.20496	2.0
301.19382	4.7
309.22034	3.0
315.20932	2.0
317.22693	2.1
321.21988	2.4
331.24170	4.6
333.21997	2.4
335.23648	4.2
347.23874	2.9
349.25208	7.0
361.25009	3.9
373.25095	2.4
375.26761	3.7
385.28983	2.6
397.88666	1.7
403.29907	6.4
427.30127	2.1
491.34952	5.2
503.35550	2.6
509.33939	4.4
547.39343	5.8
565.40503	23.4
583.41418	100.0
584.41766	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01869	1.8
55.05269	2.3
55.05513	20.9
57.07065	13.3
59.04994	4.2
65.03936	3.8
67.05507	25.5
69.03422	7.6
69.07066	18.2
69.58059	12.4
79.05493	29.8
81.03378	1.9
81.07053	39.2
83.04975	7.7
83.08623	10.3
85.06532	7.3
91.04910	2.7
91.05478	57.3
93.07040	64.8
95.04968	11.9
95.08604	37.9
97.06541	5.6
97.43100	1.7
99.97783	1.6
103.05457	4.6
105.06316	4.0
105.07028	81.3
107.08594	54.7
109.06508	11.0
109.10143	25.1
111.08083	2.2
115.05457	7.6
116.06265	2.5
117.07030	18.3
119.08576	97.6
121.06522	6.1
121.10145	52.2
123.08061	21.5
123.11714	6.7
125.05978	3.7
125.09617	2.9
128.06200	13.6
129.07011	17.9
130.07773	9.2
131.08568	39.9
132.82321	2.2
133.06477	2.5
133.10112	43.5
135.08069	9.5
135.11684	13.8
137.09618	13.6
139.11156	2.1
141.06963	10.2
142.07773	27.2
143.08557	52.3
144.09319	7.7
145.10118	59.8
147.08032	19.2
147.11676	18.3
149.09634	6.1
149.13309	4.9
151.07529	15.7
151.11142	2.3
153.07024	6.8
154.07782	4.3
155.08556	24.4
156.09326	22.5
157.10130	63.5
158.10921	9.2
159.08017	3.5
159.11696	29.2
161.09669	5.2
161.13269	8.4
163.11160	11.3
165.07060	10.8
165.09100	27.1
166.07787	4.7
167.08531	11.1
167.10670	19.6
168.09306	8.5
169.10120	32.5
170.10880	11.1
171.08020	2.7
171.11688	37.7
172.12384	3.5
173.09595	4.1
173.13255	29.8
175.11125	4.8
175.14828	10.7
177.12784	1.8
178.07822	4.9
179.08545	21.7
179.43913	1.7
180.09326	6.0
181.05049	3.2
181.10095	21.0
181.12215	6.5
182.10893	10.3
183.08162	3.8
183.11682	33.4
183.13243	2.2
184.12456	6.3
185.09729	3.7
185.13229	15.2
186.51613	1.9
187.11235	2.6
187.14861	8.4
189.12758	5.9
191.08630	2.9
191.14307	8.6
192.09354	7.4
193.10126	18.6
194.10905	12.3
195.11674	28.7
196.12462	7.0
197.13257	26.1
198.14037	3.7
199.11209	3.6
199.14851	22.2
201.12756	4.0
201.16406	5.5
203.08588	1.8
203.14308	15.2
204.09500	2.2
205.10150	7.6
205.15816	2.3
206.10925	8.7
207.11711	22.2
207.13820	7.1
208.12503	10.5
209.13245	34.1
209.15199	1.5
210.13972	3.0
211.11281	2.2
211.14828	13.8
213.12799	3.0
213.16386	4.5
215.14311	3.2
217.10127	4.1
217.15833	12.5
218.10870	4.0
219.06572	5.6
219.11690	11.9
219.13625	1.9
220.12491	8.1
221.13266	18.4
221.15405	65.2
222.14064	4.9
223.11292	2.4
223.14796	19.3
224.15485	2.8
225.12796	2.7
225.16396	7.0
227.14320	4.8
229.10300	2.2
230.10942	3.0
231.11740	8.3
231.17358	2.6
232.12511	5.0
233.13245	11.6
233.15414	7.5
234.14049	5.0
235.14777	15.1
236.15495	3.3
237.07599	2.1
237.12634	2.2
237.16304	11.6
239.14345	3.6
239.17955	4.8
243.11755	5.9
244.12494	5.1
245.13181	8.6
246.14070	4.6
247.06004	9.5
247.14761	10.4
247.17017	3.0
248.15446	2.2
249.16397	14.0
250.17046	2.7
251.18076	7.1
255.17450	2.0
257.13300	3.9
257.19031	9.1
258.14096	4.3
259.14899	6.7
260.15536	4.5
261.16385	12.3
263.17993	8.0
265.19510	8.1
267.17505	2.8
269.19125	4.9
271.14740	4.3
272.15573	2.5
273.16354	5.3
274.17142	2.8
275.17856	14.9
277.19531	5.1
279.17450	2.7
281.18973	4.4
283.20560	20.1
285.16217	2.6
287.20093	5.7
288.18793	2.4
289.19568	5.5
291.21033	2.4
293.19141	1.9
295.20538	5.4
296.15842	2.3
297.22061	2.6
299.17743	2.4
300.20782	4.9
301.19208	2.5
303.21158	3.8
305.18765	2.1
307.20563	4.6
315.20993	2.1
317.22598	2.8
321.21857	2.4
331.20636	2.6
331.24277	8.6
333.21976	2.5
347.23932	2.1
349.25183	10.4
352.24127	2.3
353.24426	2.3
357.26190	1.9
359.23676	2.5
361.25418	3.9
365.24875	3.3
373.25430	2.0
375.26837	5.6
403.29996	6.5
429.13351	3.9
491.34973	5.2
503.35190	3.9
509.33780	2.3
547.39398	5.8
565.40381	22.1
583.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05321	1.2
55.05514	14.8
57.07077	10.3
59.04995	5.5
62.21585	1.2
65.03934	4.0
67.05508	24.2
69.03424	7.7
69.07065	20.1
69.23799	14.3
70.50220	1.3
71.05015	1.9
79.05493	23.1
81.07051	34.1
83.04975	6.4
83.08608	7.4
85.06562	6.5
86.89704	1.4
91.04904	2.7
91.05474	42.9
93.07037	55.0
95.04982	12.7
95.08601	35.1
95.09183	2.4
97.06510	4.3
103.05477	3.3
105.04525	1.4
105.07025	73.8
107.04937	2.1
107.08585	41.8
109.06495	10.0
109.10154	20.7
111.08054	2.8
115.05450	4.9
116.06225	2.4
117.07024	19.8
119.08575	78.1
121.06495	4.8
121.10139	44.3
123.08059	18.5
123.11687	6.5
125.06005	3.5
125.09620	2.0
128.06207	12.1
129.07004	14.5
130.07800	6.9
131.08562	33.4
133.06502	4.1
133.07483	1.3
133.10118	41.8
135.08061	11.1
135.11681	14.7
137.06001	1.8
137.09648	11.4
137.13258	1.5
139.11169	2.2
141.06982	9.4
142.07773	24.2
142.08824	2.4
143.08553	41.7
144.09335	6.6
145.10124	51.7
147.08026	15.0
147.11691	14.2
149.09637	7.4
149.13257	2.7
151.07529	15.9
151.11162	2.4
153.07043	2.4
154.07788	3.5
155.08546	15.7
156.09312	17.8
157.10127	53.9
158.10912	9.7
159.08084	4.3
159.11671	23.0
160.12366	1.6
161.09621	6.3
161.13257	6.9
163.11174	9.3
165.07079	7.4
165.09117	38.3
166.07756	4.4
166.15114	1.3
167.08574	9.0
167.10658	12.4
168.09346	6.8
169.10109	28.9
170.10886	10.2
171.11662	28.8
171.12976	2.3
172.12398	2.9
173.09746	3.1
173.13239	25.8
174.62422	1.5
175.11154	4.4
175.14854	9.1
178.07861	2.8
179.08553	16.4
180.09361	3.8
181.10101	17.0
181.12234	5.2
182.10907	9.5
183.11684	27.6
184.12480	5.6
185.09637	3.0
185.13246	18.1
187.11154	4.5
187.14848	5.9
189.12764	8.2
189.16393	1.6
191.14304	9.9
192.09322	5.2
193.10129	16.8
194.10925	12.5
195.11681	22.4
196.12477	5.2
197.09642	1.7
197.13252	23.3
198.14034	3.6
199.11157	2.3
199.14815	15.1
201.12753	3.0
201.16394	3.2
203.08618	1.9
203.14336	15.1
204.09285	2.0
205.10126	5.0
206.10858	8.4
207.11714	23.3
207.13824	10.7
208.12520	6.7
209.13257	26.8
210.14003	3.7
211.11073	1.7
211.14804	12.2
213.12819	2.2
213.16425	4.9
215.14397	1.8
217.10130	3.9
217.15909	8.1
218.10902	3.8
219.11612	9.2
219.17404	2.1
220.12439	7.7
221.13246	17.6
221.15404	61.9
222.13962	3.1
223.14790	15.7
224.15724	1.7
225.16437	5.8
227.17923	2.3
229.15906	2.3
230.10942	1.9
231.11687	6.9
231.17430	2.0
232.12331	3.1
233.13266	11.8
233.15427	5.5
234.13976	3.1
235.14793	10.3
236.15631	2.8
237.16341	7.9
238.17236	2.3
239.17976	5.1
241.15952	2.5
243.11681	3.4
243.17383	1.8
244.12541	3.4
245.13289	9.1
246.14029	6.7
247.14786	12.5
247.17003	3.1
248.15578	3.5
249.16312	9.5
250.17232	2.1
251.18039	5.5
253.19704	2.9
255.11920	1.7
255.17346	3.0
257.13287	2.5
257.18869	7.5
258.13980	2.2
259.14859	6.1
260.15686	4.9
261.16373	10.1
262.17221	1.8
263.17941	6.7
265.19525	9.0
269.19119	4.0
271.20450	1.6
272.15448	2.0
273.16388	7.3
274.17123	3.3
275.17932	11.4
276.18729	1.9
277.19604	5.6
279.21094	3.3
281.19003	2.8
283.20599	13.8
286.19431	2.4
287.17725	3.8
287.20438	2.8
288.18927	2.9
289.16394	1.5
289.19482	4.2
291.21176	1.6
293.19086	3.1
295.20703	4.3
297.16415	2.2
297.22241	4.7
300.20996	2.7
301.19269	3.2
305.18903	1.6
307.20688	3.0
311.17786	1.8
313.21622	2.1
315.21124	1.8
317.22723	2.4
329.22604	2.2
331.24155	4.9
333.22183	3.0
335.23508	2.4
347.23749	1.7
349.25253	8.9
357.25815	2.3
361.25635	3.2
365.24701	2.6
375.26932	6.0
403.29861	7.5
423.87109	1.6
431.78073	1.6
491.34958	3.4
503.35294	5.1
509.34421	2.5
535.00586	1.4
547.39215	4.2
565.40228	24.7
566.41077	1.9
583.41418	100.0
584.41760	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84635	1.9
51.41322	1.9
53.03942	5.8
55.05508	17.4
55.60995	1.8
57.07074	14.7
59.05005	3.5
65.03933	4.7
65.15489	2.3
67.05505	29.6
69.03433	8.8
69.07068	23.3
70.76463	5.2
70.76817	4.0
74.35609	2.0
79.05487	34.6
81.07052	39.4
83.04971	9.8
83.08626	11.4
85.06559	5.5
91.05482	56.0
93.07041	60.0
93.48737	2.2
95.04970	13.2
95.08604	39.9
97.06534	6.0
103.05492	2.7
105.07023	82.2
107.08588	54.3
109.06538	14.3
109.10140	27.4
109.10831	2.6
115.05457	6.9
117.07018	20.0
119.08579	94.2
121.06506	5.5
121.10136	56.9
123.08059	21.7
123.11713	7.3
125.05994	3.4
128.06213	17.0
129.06978	23.6
130.07817	7.7
131.08565	47.2
133.10135	44.0
135.08055	13.7
135.11697	13.3
137.06035	2.7
137.09573	12.2
139.11234	3.5
141.06981	13.3
142.07790	26.8
143.08556	48.3
144.09351	7.9
145.06555	2.4
145.10117	50.4
147.08035	17.5
147.11653	12.4
149.09634	8.5
149.13255	3.5
151.07552	17.2
153.07022	5.0
153.09126	2.8
154.07796	4.6
155.08536	19.4
156.09363	22.4
157.08826	3.7
157.10117	59.3
157.11333	4.7
158.10910	11.4
159.08081	5.2
159.11697	32.1
161.09663	11.0
161.13277	10.4
163.11203	9.7
165.07018	10.4
165.09114	29.1
166.07716	4.7
167.08556	16.0
167.10718	17.7
168.09328	11.1
169.10120	36.1
170.10922	12.1
171.11693	37.8
173.09636	4.3
173.13274	26.4
175.11238	6.1
175.14832	8.2
177.09018	3.3
177.12718	2.3
179.08548	16.6
180.09396	8.1
181.10141	23.4
181.12224	6.1
182.10933	9.7
183.11694	32.8
184.12517	4.9
185.13240	19.2
187.11238	3.7
187.14825	7.5
189.12778	7.7
191.08563	4.6
191.14238	11.7
192.09335	6.5
193.10110	19.4
194.10902	14.8
195.11678	25.5
196.12491	7.7
197.13274	24.4
199.14809	21.6
203.14374	16.7
205.10146	7.5
206.10970	8.0
207.11723	23.1
207.13762	5.9
208.12529	8.6
209.13237	35.6
209.15109	3.2
210.13988	4.6
211.14838	15.1
213.16321	3.0
215.14288	4.7
216.09441	3.1
217.10229	6.0
217.15918	10.7
218.10948	2.4
219.11734	10.4
220.12546	8.2
221.13290	19.2
221.15424	67.3
222.14000	5.7
223.14767	15.9
225.16396	7.6
227.14357	4.3
230.11116	4.1
231.11737	7.9
231.17488	5.3
232.12466	5.5
233.13307	12.4
233.15456	7.7
234.14067	6.5
235.14821	13.6
237.16499	7.4
239.17981	4.1
243.11760	5.0
244.12456	3.2
245.13184	10.7
246.14032	7.9
247.14848	15.8
247.17064	3.2
248.15588	3.1
249.16508	11.1
250.17253	2.6
251.14305	2.8
251.17961	7.7
257.13284	4.6
257.19046	10.6
258.13956	3.8
259.14880	7.0
260.15656	6.4
261.16364	12.2
262.17001	2.4
263.17828	11.6
265.19540	8.4
269.19025	4.3
271.14874	3.9
273.16306	6.5
273.18985	3.2
275.17923	14.0
277.19516	8.7
281.19128	2.9
283.20554	16.1
287.20261	5.1
289.19446	4.1
295.20667	5.5
297.22052	5.1
299.20245	3.5
301.19110	3.9
315.20956	2.8
331.24219	8.0
349.25342	9.2
365.24847	3.1
373.25116	3.4
375.26788	5.5
403.29849	4.1
491.35135	9.1
503.35135	5.2
530.66565	2.4
547.39386	6.6
565.40240	25.7
583.41406	100.0
586.36621	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97372	1.8
52.53881	1.7
53.03952	9.1
55.01868	4.7
55.05272	2.3
55.05512	28.4
57.03430	12.8
59.04970	4.3
60.91950	1.5
65.03924	2.1
67.05502	100.0
69.03432	26.8
69.07065	12.1
71.04990	9.5
71.51688	1.9
71.52042	2.2
74.00890	1.6
79.05490	22.9
81.03416	97.9
81.07056	38.0
83.04973	23.0
83.08611	25.0
85.02898	21.8
85.06533	2.9
91.05475	33.8
93.07059	21.4
95.04972	22.2
95.08602	16.5
97.02894	18.8
97.06531	5.3
97.10169	9.5
99.04461	6.1
99.08087	2.8
105.07033	23.4
107.04950	10.8
107.08589	10.9
109.02873	21.4
109.06522	4.7
109.10159	63.8
111.04438	17.5
111.08047	12.0
113.06044	4.0
115.05496	2.8
117.07037	5.3
119.08578	24.5
121.06506	7.0
121.10128	9.5
121.45639	1.8
123.04422	7.8
123.11704	3.4
125.09618	11.7
127.03911	14.4
128.06238	3.2
129.05518	3.2
129.07014	8.3
131.04924	2.7
131.08594	10.6
133.06473	3.2
133.10104	10.2
135.08063	4.0
135.11671	2.7
137.06027	3.1
137.09616	6.7
142.07755	1.7
143.08566	4.4
145.06578	1.7
145.10130	6.0
145.97289	1.8
147.04390	2.6
147.08037	5.7
147.11671	16.9
149.05984	2.2
149.09607	5.6
153.05540	1.9
155.10669	3.5
157.10147	11.1
159.11691	4.2
161.06027	2.0
161.13083	2.1
163.11211	5.3
165.09102	2.7
165.12744	4.9
171.08167	1.8
171.11684	3.0
173.11758	19.5
173.13205	2.7
175.11203	9.1
181.05035	2.7
181.12292	2.8
185.09644	1.9
185.13185	2.0
189.11261	6.7
191.10701	4.1
193.12230	33.8
211.13289	51.8
213.12946	2.1
213.14890	2.4
227.12723	10.0
229.14307	20.6
235.13263	2.5
249.14908	2.8
267.15897	11.1
273.15063	2.0
277.14285	3.4
281.13831	2.3
285.16934	4.7
299.14862	11.8
301.14566	2.6
303.16351	2.3
337.16425	3.1
339.16122	2.2
355.17477	12.7
411.20117	3.1
421.25879	7.1
439.27020	14.8
463.27023	2.3
505.28070	4.8
547.29321	4.2
565.29962	7.7
583.31061	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01855	5.8
55.05507	25.5
57.03434	13.4
59.04990	3.1
65.03934	3.9
67.05503	100.0
69.03428	19.7
69.07061	8.4
69.37664	8.4
69.38097	5.0
70.27509	1.9
71.01358	2.6
71.04980	7.0
78.44115	1.8
79.05490	25.1
81.03418	93.1
81.06597	2.3
81.07053	34.1
83.04974	21.3
83.08616	18.0
85.02899	23.3
85.06508	3.5
91.05486	29.6
93.07046	17.7
95.04963	23.1
95.08601	14.4
97.02892	14.2
97.06510	1.8
97.10152	12.1
99.04439	5.1
103.03947	2.0
105.07030	19.2
107.04955	9.7
107.08607	10.9
107.67932	1.8
109.02890	16.5
109.06524	4.6
109.10152	63.3
111.04419	17.7
111.08076	14.2
113.06010	1.8
115.05408	1.9
117.07001	4.0
119.04936	1.9
119.08580	21.3
121.06470	3.0
121.10156	8.6
123.04446	4.9
123.08054	3.6
123.11700	1.8
125.09612	14.5
127.03918	10.0
129.05464	1.6
129.06995	10.2
131.04962	3.0
131.08575	7.8
133.06461	2.7
133.10124	8.5
135.08011	2.5
135.11673	2.5
137.09636	2.8
142.07722	2.0
143.08554	2.6
145.10123	4.6
147.08006	3.4
147.11700	10.9
149.06000	2.3
149.09602	2.7
153.09138	1.8
155.10686	6.4
157.10109	10.8
159.11615	2.3
161.05997	1.9
163.11156	2.6
165.09106	2.0
165.12744	3.8
171.06439	1.6
171.11740	2.8
173.09544	2.0
173.11761	22.7
175.11197	7.1
178.52908	1.7
187.11244	1.9
189.11221	8.4
189.12762	3.3
191.10703	2.6
193.12231	36.3
193.13918	2.9
199.11232	2.0
207.13782	1.7
208.91132	1.6
210.55351	1.8
211.13277	53.2
217.12154	2.0
223.32243	1.7
227.12766	9.8
229.14362	28.1
235.13277	4.2
255.13930	1.8
267.15936	7.6
273.14957	2.2
277.14471	4.3
281.13867	2.1
285.16968	5.0
299.14859	13.1
301.14386	5.3
309.16873	5.0
319.15524	3.0
329.10178	1.8
331.17502	4.1
337.16489	2.2
342.56866	1.8
347.22409	1.8
351.18152	3.8
355.17511	11.8
357.16913	1.9
357.22403	1.7
373.18393	2.0
375.18277	2.1
393.18863	2.2
411.20145	1.9
421.25766	8.1
439.26996	20.5
455.26376	2.4
463.26846	5.0
487.27173	1.7
505.27826	14.7
506.28491	1.8
517.27911	2.6
529.27747	2.3
535.28967	3.2
547.28918	6.9
565.29993	13.4
583.31030	95.9
584.30823	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	583.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03940	8.6
55.01871	8.4
55.05504	32.6
57.03431	10.6
57.31183	1.6
59.04979	3.0
65.03935	3.4
67.05502	96.3
69.03424	20.5
69.07058	9.1
69.77325	8.7
71.01347	1.6
71.04976	8.7
79.05489	25.3
81.03414	100.0
81.07050	35.9
83.04976	17.6
83.08614	23.7
83.77812	1.6
85.02906	23.7
85.06545	4.6
88.20109	1.4
91.05474	31.4
93.07040	20.7
95.01438	1.7
95.04970	23.6
95.08596	16.6
97.02889	18.5
97.06530	5.9
97.10172	10.6
99.04465	8.2
99.08098	1.9
105.07024	19.1
107.04966	8.5
107.08604	10.9
109.02855	15.3
109.06519	6.2
109.10148	67.7
111.04427	18.9
111.08067	8.5
115.05451	1.8
116.06296	1.7
117.07022	5.0
119.08593	18.0
121.06504	3.5
121.10132	9.4
123.04431	6.0
123.08073	3.6
123.11693	2.3
125.09634	8.7
127.03899	13.5
128.06169	1.8
129.05499	2.4
129.06975	9.9
131.08560	11.6
133.06494	2.5
133.10135	10.7
133.92929	1.7
135.11696	2.8
137.09624	4.5
142.07756	1.7
143.08591	1.7
145.10091	3.4
147.04443	2.1
147.08025	3.6
147.11659	12.2
149.09599	6.0
153.12720	2.6
155.10637	3.4
157.10098	9.1
159.11702	2.2
163.11188	5.4
165.05490	2.0
165.09082	2.6
165.12746	3.9
173.09535	1.8
173.11745	21.0
175.11163	8.3
181.12244	3.5
189.11223	7.5
189.12749	1.7
191.10646	2.7
193.12233	32.7
205.12241	1.8
209.13402	1.7
211.13271	43.7
220.41747	1.8
227.12811	6.1
229.14328	18.8
267.15839	8.7
273.14618	1.9
277.14511	2.7
281.14178	1.7
285.16983	3.6
299.14951	10.8
301.14417	4.5
309.17065	4.3
319.15500	2.4
337.16412	5.1
351.17886	2.4
355.17459	9.9
373.18600	2.6
393.19385	1.9
411.20178	4.4
421.25824	5.8
439.26785	14.6
463.26801	3.0
505.27808	8.0
517.28503	2.4
529.27728	2.7
547.28687	3.1
565.30145	10.1
583.31073	84.9
584.31317	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	583.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01864	5.3
55.05508	32.1
57.03433	12.5
57.07054	2.5
59.05000	5.3
61.86037	1.6
65.03937	4.0
67.05502	100.0
69.03428	26.1
69.07059	11.5
69.85453	2.2
69.85776	10.9
71.04979	10.3
73.02902	2.0
74.93514	1.6
76.50404	1.7
79.05485	25.6
81.03412	97.3
81.07050	41.5
81.50159	1.7
82.07398	2.1
83.04981	21.5
83.08621	23.4
85.02901	25.8
85.06531	5.3
91.05483	33.2
93.07041	22.0
95.04957	21.4
95.08596	18.8
95.50909	2.1
96.92494	1.7
97.02882	16.6
97.06550	7.6
97.10147	12.6
99.04465	8.7
99.08110	2.4
103.03961	3.0
103.05459	2.9
105.07037	23.2
107.04966	7.8
107.08586	15.5
109.02872	22.4
109.06531	7.5
109.10152	68.3
111.04419	21.4
111.08074	10.2
113.05956	2.3
115.37097	1.9
117.07049	7.1
119.04981	2.8
119.08566	22.4
121.02917	2.9
121.06531	7.2
121.10136	16.4
123.04440	5.3
123.08080	5.5
123.11737	5.1
125.09612	13.4
127.03923	14.3
129.07014	8.1
130.07680	2.1
131.08560	10.2
133.06519	5.4
133.10110	12.7
135.08081	3.8
135.11717	4.5
137.05994	5.0
137.09616	6.9
139.11232	2.3
143.08574	3.8
145.06578	2.4
145.10098	9.1
147.04437	5.5
147.08095	6.0
147.11676	13.2
149.05988	4.3
149.09644	8.2
155.08540	3.2
155.10687	5.2
157.10133	9.7
159.11752	3.6
161.09679	4.2
163.11240	5.3
165.12733	3.6
165.79448	1.9
166.05540	1.8
173.09619	2.9
173.10370	2.6
173.11736	21.8
173.13167	2.5
175.11220	11.8
175.14851	2.3
180.31105	2.0
181.12236	3.4
187.11226	2.1
189.11227	6.6
189.12653	3.4
191.03401	1.9
193.12236	30.7
209.11823	2.7
211.13274	52.8
227.12698	9.2
228.58871	1.8
229.14319	17.8
235.13383	3.7
249.14777	2.5
259.13370	2.1
267.15952	7.5
277.14471	3.8
285.17093	2.1
294.74973	2.1
299.14886	11.3
301.14453	4.2
309.17087	3.9
331.17825	2.6
337.16391	3.0
343.82858	2.2
351.18161	3.2
355.17502	12.0
373.18832	3.6
411.20193	3.5
421.25943	7.5
439.26840	17.6
439.31345	1.8
463.26913	5.0
505.28131	5.1
529.28027	2.4
547.28583	2.5
565.30316	11.0
583.31097	90.3
584.31354	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	583.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
63.43508	0.4
69.03432	0.8
69.30916	3.8
75.81450	0.4
76.43364	0.3
81.03409	0.4
85.02911	0.8
97.02905	0.5
98.97577	0.6
100.75883	0.4
105.07016	0.4
115.05444	2.2
116.98581	0.6
117.05759	1.6
123.04415	0.4
127.02560	0.3
127.03883	0.5
128.63499	0.4
130.78848	0.4
132.08064	3.2
133.06479	0.6
138.78496	0.4
142.06566	0.4
146.99696	0.5
153.01830	0.7
160.07578	100.0
161.07933	1.2
162.05670	0.4
177.10233	15.8
179.90071	0.4
187.03879	0.5
237.02852	0.7
259.02338	0.5
277.03323	0.6
301.39032	0.4
303.01535	1.0
394.99365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25776	0.7
55.05501	1.5
57.82212	0.6
65.03903	0.8
67.05502	3.9
69.07044	1.5
69.40559	1.5
69.40958	5.6
79.05482	2.5
81.03410	2.0
81.07034	2.4
91.05470	2.8
93.07034	2.0
95.04967	2.8
95.08598	1.8
103.05446	1.5
105.07037	1.3
107.08578	1.9
109.10147	2.7
111.04443	1.4
117.07011	1.1
119.08575	1.3
121.10137	1.7
123.04487	0.8
125.05992	1.3
131.04907	1.7
131.08557	1.2
133.10155	1.6
138.03111	2.1
143.08569	1.0
145.10059	1.6
147.11670	0.7
153.44815	0.7
155.07007	3.3
155.08199	0.8
157.10164	1.2
159.11676	0.9
166.02583	2.3
166.07785	0.8
167.07004	2.7
171.11688	1.0
178.07770	74.3
179.08572	13.3
181.04948	100.0
182.05225	1.3
184.03688	2.8
187.99588	0.7
191.08501	5.6
192.09303	1.4
193.05028	1.0
193.69769	0.7
195.08054	1.0
201.07014	1.0
202.07767	4.5
203.08557	8.8
205.06482	2.3
205.10091	1.3
219.08081	6.8
221.09602	2.2
223.06094	1.1
227.12784	0.7
229.06505	2.8
231.08031	22.7
247.07547	8.8
251.35350	0.7
257.05893	7.5
259.07532	2.7
265.08661	0.8
275.07007	8.6
293.08176	0.9
309.09305	1.0
316.11060	1.9
331.13272	35.3
333.14941	3.8
347.17148	1.5
367.09714	1.3
369.11343	3.0
383.12750	5.4
401.13531	1.3
411.12067	1.0
429.13333	3.3
491.35370	1.1
583.31116	0.8
583.41516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01869	1.1
55.05508	1.2
57.03431	1.0
65.03947	2.4
67.05506	3.5
68.99767	0.5
69.03420	1.5
69.60928	2.6
71.04987	0.7
79.05487	1.9
81.03416	4.3
81.07045	1.6
83.08635	0.5
85.02880	2.8
91.05479	11.0
91.07455	0.4
93.03419	0.5
93.07056	3.4
95.04962	1.9
95.08611	1.8
97.02887	1.9
98.20668	0.5
99.04471	1.0
101.36097	0.5
103.05450	1.0
105.07018	2.5
107.04956	2.1
107.08582	0.8
109.02888	1.6
109.06517	7.0
109.10159	2.1
111.00798	1.2
111.04411	0.9
111.08121	0.6
115.05444	2.5
117.07022	1.5
119.04939	100.0
119.08591	1.2
120.05260	0.7
121.02856	0.8
121.06501	1.0
121.10130	1.4
122.03632	1.3
123.04432	1.0
123.08013	0.5
127.03921	1.4
131.04997	1.1
131.08606	0.9
133.06500	1.6
133.10123	0.8
135.07997	0.7
137.02344	3.2
137.05972	15.7
143.04906	0.6
144.05765	0.7
145.04973	1.0
145.06503	2.2
147.04417	0.8
147.08060	0.5
147.11685	0.9
149.02330	0.5
151.03928	2.0
153.01805	4.0
161.05994	2.1
163.03857	0.7
163.07542	0.6
165.01886	1.8
165.09125	0.8
167.07042	9.5
173.05989	1.9
175.03920	0.7
175.07553	1.3
175.11218	0.5
177.05489	0.7
181.04951	2.0
181.06398	0.6
183.02913	0.7
187.07542	0.9
189.05640	0.5
191.07027	1.1
193.08577	0.9
193.12242	0.5
201.05493	1.3
205.08592	2.7
207.06569	2.5
207.08228	0.6
207.10164	0.6
211.07513	0.5
211.13312	1.6
217.08687	1.1
219.10176	0.5
225.05360	0.6
226.06281	0.8
229.04953	3.4
233.08076	0.9
235.09612	2.5
241.08562	1.1
257.04477	2.2
263.09158	1.3
269.08093	0.9
281.10269	4.6
285.04031	0.6
288.13193	0.6
301.10995	0.9
302.04123	0.5
303.04974	80.9
304.05276	1.5
306.08749	0.6
307.09766	0.5
308.46960	0.5
313.10428	0.5
329.10141	2.2
345.06137	1.0
369.13220	0.7
381.13351	0.9
399.14499	0.9
411.07260	0.8
411.13904	1.2
429.15524	0.6
459.16974	2.9
523.32404	1.7
535.19708	0.7
547.19928	0.7
553.20514	1.0
565.21246	2.7
573.85773	0.6
583.21375	3.6
583.30969	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	582.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.05507	3.0
55.74631	1.2
65.03951	1.6
67.05503	2.4
69.03417	5.1
69.07063	2.9
69.50230	9.6
74.23750	1.1
77.07648	1.1
79.05502	5.0
81.03436	2.8
81.07051	4.9
83.04964	6.8
83.08592	1.6
85.02905	2.8
86.09698	2.1
89.03915	4.4
91.05483	5.0
93.07027	2.7
95.05000	1.6
95.08595	3.9
95.76033	1.1
97.02901	1.7
97.10184	1.3
98.21520	1.6
99.04490	1.3
102.90015	1.1
103.05514	1.7
104.10754	1.6
105.07034	4.2
107.08591	52.7
109.02826	1.5
109.06486	2.6
109.10153	4.5
111.08096	2.1
116.10722	1.9
117.03381	17.4
119.08571	2.4
121.02866	16.9
121.06474	2.1
121.10153	6.9
125.00032	1.6
127.03908	1.3
131.08513	1.8
133.10143	2.9
134.03714	1.6
135.08015	1.7
135.11671	3.2
137.06003	2.1
137.09590	1.3
139.03925	2.8
145.02847	45.5
145.10165	1.5
147.11694	3.1
149.05980	7.8
149.09648	1.7
149.13263	5.4
153.09079	2.8
163.03903	1.7
167.07042	1.6
171.60240	1.1
173.13251	2.9
175.07602	1.3
177.05470	100.0
178.05927	1.5
181.04913	2.0
184.07364	5.6
191.14299	74.0
192.14458	1.4
195.06448	2.2
197.50954	1.1
204.58739	1.1
207.06569	1.5
225.88579	1.1
280.19104	1.2
286.04785	3.8
301.07028	4.4
304.29895	1.3
339.10583	1.5
582.31226	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49385	2.6
55.01878	3.8
65.39156	2.3
69.03416	7.5
70.54853	8.1
73.02899	2.5
79.05481	7.7
81.03399	3.7
85.02885	11.4
91.05458	4.7
95.04971	13.4
97.02876	6.1
98.21591	3.0
105.06986	2.6
107.04954	20.3
111.92406	2.4
115.05427	3.2
117.07014	4.7
119.28924	2.3
123.04415	25.9
124.05215	3.4
125.05970	3.0
129.06981	4.5
131.08536	8.5
133.06407	3.3
137.05984	15.7
140.04654	3.8
141.07002	2.7
144.05708	3.4
145.06488	13.5
146.12398	2.7
147.04434	3.9
152.04688	2.6
153.05426	6.0
154.06258	2.9
155.07005	7.6
156.05724	5.6
157.06483	3.9
158.07268	2.5
159.08099	12.2
161.05959	2.4
163.07513	3.4
165.05389	2.5
167.07033	65.9
168.07837	2.5
173.05959	22.5
175.07535	5.3
181.08647	2.6
182.09393	2.9
183.06541	27.3
184.07260	6.5
186.95221	2.4
187.07582	12.0
189.05565	2.7
189.09059	4.9
190.06261	6.5
191.06946	2.8
191.08516	4.0
192.07791	4.3
203.07025	5.6
204.07756	4.0
205.08614	18.7
210.08832	10.4
215.07025	3.3
217.08583	45.3
218.07341	2.8
218.09366	7.1
219.08067	9.8
219.10181	9.6
220.10876	5.3
231.08066	3.6
233.09766	5.3
234.06668	3.3
234.08896	3.3
235.07520	3.8
235.09657	4.5
236.08421	4.2
238.12044	7.5
241.08557	4.4
247.07526	10.0
248.08171	5.8
248.10468	7.9
249.09015	5.7
249.11316	6.1
261.09067	8.5
263.06995	3.7
263.10733	4.1
264.07898	5.6
276.07770	5.1
277.08487	7.3
278.09329	5.3
279.10132	10.4
291.10254	7.0
293.08234	5.6
293.11703	9.3
296.10394	3.2
305.08273	2.9
307.09628	17.3
308.10355	6.2
309.11063	4.6
311.12448	4.4
313.11469	2.4
314.12137	5.5
319.09491	3.0
321.11142	3.8
323.08899	4.4
323.12595	2.5
324.09607	2.7
327.12311	2.6
330.11041	2.6
337.10831	5.4
338.11325	3.3
339.12244	8.2
344.12500	8.9
351.12207	5.5
353.13889	3.6
359.14767	5.2
369.13409	22.8
370.13849	4.1
371.14865	70.3
374.14511	4.7
383.15033	5.4
384.15601	2.9
387.14322	10.4
389.16010	16.2
401.15936	100.0
402.16632	25.5
419.16956	11.6
420.17807	15.0
431.16827	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	581.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91601	0.6
53.03905	0.8
57.03432	3.8
65.03930	0.8
65.31051	0.6
67.05484	2.4
69.03423	3.7
69.07050	0.7
71.03481	1.8
71.04986	23.3
73.02885	0.9
79.05478	2.2
81.03376	1.3
81.07037	1.2
83.04977	2.0
85.02376	1.2
85.02899	26.4
91.05473	36.9
93.07031	1.7
95.04949	1.6
95.08576	1.4
97.02900	0.9
103.05429	1.6
105.07027	57.9
107.04928	1.0
107.08555	1.1
109.06521	1.1
109.10132	1.0
111.04420	1.5
111.67771	0.8
115.05436	9.4
116.44502	0.7
117.07014	2.2
119.04987	0.7
119.08577	2.1
121.06520	0.9
121.10149	0.8
125.09592	0.7
129.05487	4.8
129.06989	1.5
131.08601	0.9
133.06483	10.5
133.10086	1.1
137.05963	2.7
137.09613	0.8
139.03928	4.3
141.05453	4.9
141.78865	0.6
147.04495	0.9
147.06529	1.7
151.03978	0.9
153.05501	4.4
155.08533	1.7
155.47398	0.7
157.06479	2.4
161.09662	0.7
163.11179	0.8
165.05542	3.4
167.08537	3.0
169.04958	2.5
173.09595	0.7
177.05463	5.4
180.30420	0.7
181.04948	0.9
183.06541	1.3
185.09608	0.9
195.08043	2.4
207.06538	3.2
223.07469	3.3
224.08249	0.9
227.10693	1.2
233.07971	4.4
240.07845	1.2
255.10156	24.5
256.10580	0.7
271.39023	0.6
273.11203	100.0
274.11465	1.6
297.11359	1.1
315.12317	2.9
339.12302	2.3
365.13837	3.8
383.15073	2.3
435.16507	4.6
521.30890	1.1
581.30017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32442	0.6
53.03945	1.7
55.01850	1.0
55.05272	0.8
55.05511	5.1
57.03433	9.4
57.07075	0.8
60.41707	0.7
61.02928	3.4
67.05500	8.1
68.05838	0.8
68.45782	0.6
68.57033	0.7
69.03439	4.0
69.07066	4.8
70.32748	0.6
71.04989	1.1
71.51513	0.7
71.51922	1.0
73.02921	20.4
79.05495	4.5
80.05805	0.7
81.03410	1.9
81.07057	12.1
83.04971	1.6
83.08604	2.6
84.50049	0.7
85.02907	1.4
85.06561	0.9
91.05468	7.5
91.90062	0.9
93.07036	11.8
95.04972	2.0
95.08609	19.4
95.09187	1.6
97.02892	2.0
97.06552	1.7
97.10153	1.0
99.04429	1.9
105.07038	13.4
107.04971	1.6
107.08598	15.6
109.06548	1.1
109.10148	13.0
111.08063	1.4
115.03909	3.9
117.07016	2.9
119.08586	28.7
120.08913	0.8
121.06505	1.3
121.10148	10.8
123.08077	1.7
123.11707	3.1
125.09681	0.8
127.03933	1.4
131.08565	3.2
133.10121	15.2
135.08072	1.3
135.11690	19.6
137.09608	1.0
137.13300	1.4
141.07089	0.7
143.08569	3.5
145.10114	13.4
147.08005	1.4
147.11696	15.2
149.09682	0.9
149.13277	3.8
151.14801	1.1
155.08569	0.9
157.10164	4.0
159.11693	9.6
161.09590	1.8
161.13254	4.6
163.11176	25.7
163.14812	3.3
165.12749	3.7
169.10197	1.3
171.11699	2.6
173.09624	3.0
173.13293	3.3
175.11198	2.0
175.14879	3.8
177.12793	1.4
179.14326	1.0
181.12248	0.9
183.11746	1.6
185.13261	3.0
187.11189	1.4
187.14784	10.7
189.09232	1.7
189.12857	3.7
189.16382	58.4
190.16757	1.2
191.10674	13.0
191.17905	5.4
193.12251	3.0
195.11681	1.0
197.13283	2.7
199.14828	3.9
201.12825	1.9
201.16385	4.7
203.17957	3.5
205.12189	2.4
205.19536	2.0
207.13828	2.6
207.17441	26.6
209.11699	1.5
211.14870	2.1
213.16342	4.5
215.17931	0.9
219.13812	1.7
225.16528	1.6
227.12657	1.6
229.19586	0.8
233.15379	1.8
237.16249	0.8
239.14322	1.5
245.18954	1.1
249.05605	0.8
257.15320	4.3
259.16949	2.4
261.18585	1.8
271.17059	1.2
273.18665	1.5
285.18707	1.0
299.20142	1.8
311.20139	1.3
349.28937	1.3
377.28217	3.7
385.30957	1.3
395.29434	30.0
396.29877	1.0
413.30518	53.4
414.30856	2.8
431.31580	100.0
432.31879	5.1
464.06998	0.8
545.34802	4.8
563.35815	13.0
564.36182	1.3
580.31281	1.0
581.29559	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	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01859	10.8
55.05510	27.0
57.03431	25.6
61.02913	13.7
65.03934	7.1
67.05505	100.0
69.03412	13.3
69.06738	4.3
69.07072	48.2
70.51918	3.2
70.67336	9.8
70.67711	3.5
71.01352	5.3
71.04980	10.2
74.53913	4.2
79.05490	48.0
81.03412	13.1
81.07051	74.3
83.04970	13.2
83.08615	19.0
85.02914	18.3
85.06542	7.9
91.03954	3.9
91.05471	46.9
93.07038	49.1
95.04959	13.2
95.08603	47.4
97.02878	11.7
97.06520	18.9
97.10188	6.0
99.90760	3.6
103.03915	4.7
105.07014	42.5
107.04957	12.8
107.08573	35.0
109.06495	11.4
109.10152	44.5
111.08066	7.0
117.07000	16.9
119.08591	38.2
121.06507	4.5
121.10163	23.5
123.08102	7.6
123.11693	4.2
125.09603	9.1
127.03880	7.5
129.05469	3.9
129.06953	5.0
131.08582	17.2
133.10141	27.6
135.11696	16.0
137.09615	9.7
143.08560	5.0
145.10110	15.7
147.11659	15.1
149.09618	20.1
149.13298	6.5
151.11266	5.2
157.10165	4.5
159.11664	17.1
161.13235	6.2
163.11205	14.4
171.10172	14.0
171.11592	5.1
173.11732	10.8
173.13318	12.2
176.71506	3.6
179.14392	5.2
183.11674	3.6
185.13118	4.2
197.13235	4.3
205.12546	4.8
229.14328	32.7
239.18054	5.4
243.15894	13.5
247.20502	4.3
253.17937	7.4
255.15955	9.4
257.18936	6.9
271.15237	8.1
275.20099	39.4
291.19540	4.9
349.23724	96.6
367.24939	8.1
383.24542	4.5
409.05786	3.7
440.69910	3.8
520.63635	3.7
569.85468	3.8
580.15924	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	580.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29595	0.5
53.03949	0.9
55.01851	0.6
55.05502	0.9
57.65579	0.5
63.02359	0.5
65.03933	0.7
67.05504	1.2
67.65497	0.5
69.03410	0.9
69.07064	1.0
69.20901	0.9
69.21301	4.5
71.04984	1.0
77.03899	0.4
79.05480	1.7
81.03429	3.8
81.07047	2.0
83.04951	0.6
83.08613	0.6
84.04494	0.6
84.39794	0.4
85.02900	1.9
85.06554	0.6
89.03922	2.0
91.05469	4.2
93.07056	2.3
95.04982	1.0
95.08583	2.0
97.02841	1.1
98.20863	0.8
99.04455	0.7
105.07031	11.5
107.08582	4.1
109.02872	2.3
109.06521	2.7
109.10135	0.8
109.32288	0.4
111.04456	0.5
117.03392	7.9
117.07008	1.1
119.04935	1.6
119.08575	12.6
119.09386	0.9
121.10130	3.2
123.04378	1.0
123.08065	1.9
123.11683	1.3
127.03902	1.8
128.98842	0.5
129.70332	0.4
130.07796	0.5
131.08572	1.3
133.06537	0.7
133.10065	0.9
135.04372	0.9
137.05989	0.7
137.09572	1.3
139.03841	0.6
145.02844	26.3
145.10107	3.3
147.04405	1.8
147.11685	15.6
149.05974	3.8
149.09589	1.8
151.03868	0.6
151.07434	0.7
156.13924	0.6
161.13239	0.8
163.03893	1.0
163.11197	1.3
165.12766	0.9
167.07018	0.6
175.03905	3.0
177.05466	100.0
178.05769	1.2
181.04874	0.6
186.05455	0.8
189.12720	6.1
195.06546	2.5
203.17963	0.6
207.06512	5.1
207.13788	6.9
221.19177	0.6
321.09650	3.9
339.10742	13.2
397.43564	0.5
580.23541	0.6
580.44031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
59.85511	2.3
65.03947	2.3
67.05493	6.5
69.07065	4.1
71.51485	4.2
79.05492	3.0
81.03398	4.6
81.07037	4.1
85.02911	4.1
89.76922	2.2
91.05475	14.5
93.07037	5.9
95.08603	9.5
95.74689	1.9
97.06539	3.2
105.07019	4.1
107.04935	1.8
107.08600	5.0
109.10149	9.2
119.04932	28.7
119.08584	4.0
121.10136	9.5
123.04401	5.6
125.09602	3.0
127.03889	7.8
131.04939	4.7
133.10109	2.9
135.04372	2.9
135.11697	8.9
137.09618	8.7
139.03902	3.3
139.11067	2.4
147.04410	23.1
149.13277	2.3
163.03899	4.7
167.07040	6.5
175.03918	37.5
175.14822	2.6
176.04312	3.5
177.05492	3.9
177.45700	1.9
181.05037	2.6
187.14839	2.2
191.03462	2.4
191.07025	3.8
207.06514	100.0
208.06833	6.1
209.06970	3.3
225.07401	2.1
237.30345	2.4
289.07465	2.0
299.05426	2.4
351.10602	4.7
369.11780	7.7
391.74838	2.0
471.25610	2.4
547.19629	4.6
579.23529	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62141	1.8
55.01863	4.3
57.03430	3.6
59.53976	1.6
61.02913	3.5
65.03889	1.9
66.21981	1.7
68.99796	3.1
69.03430	40.4
69.52983	15.8
73.02914	1.6
81.03443	3.0
85.02908	7.2
91.05475	4.0
93.03419	3.3
95.05006	2.8
98.21484	3.2
103.03924	5.4
105.03398	2.4
107.04953	5.9
109.02858	3.3
111.04433	3.8
117.07034	2.0
119.04956	9.2
121.02869	39.7
123.04437	17.6
127.03930	27.6
131.04948	3.6
135.04413	16.9
137.02351	3.2
139.03906	14.5
145.02867	7.7
145.06505	2.5
147.04417	5.4
149.02394	3.2
151.03929	3.4
159.04477	3.6
163.03911	15.2
165.01884	2.8
165.05548	2.1
167.03429	2.3
167.07040	15.6
173.05977	8.1
175.03912	5.2
177.05356	2.4
179.03432	5.3
181.04898	9.1
183.04404	2.2
187.03882	4.9
189.01822	6.3
189.05408	1.8
191.03447	9.4
193.05107	2.0
195.02885	6.0
199.03938	2.9
201.05455	3.6
203.03482	8.7
205.04878	3.4
207.02962	6.7
207.06509	3.1
207.88660	1.9
210.06712	1.8
215.03439	4.2
217.05029	5.0
219.02945	6.5
221.04427	3.3
227.03328	2.3
229.04909	6.3
231.02849	2.5
231.06461	2.7
233.04515	4.5
233.08121	3.5
234.50786	1.8
241.04982	4.5
245.04480	4.5
247.05977	13.4
255.06476	2.3
257.04538	8.4
259.05960	3.8
263.07147	4.2
265.08698	2.5
267.06378	3.7
268.07486	2.1
269.04468	4.9
271.06039	8.3
273.03806	2.1
275.05554	5.4
279.06540	11.1
280.07330	3.1
281.08041	9.3
283.05948	9.1
284.06738	2.7
287.05359	12.0
289.07098	4.4
291.06458	5.2
292.07196	2.7
293.08047	4.5
294.05243	26.3
294.08371	3.2
295.06018	44.7
296.06738	4.2
297.07547	10.5
301.07028	2.5
305.08041	4.1
307.05994	50.2
307.09558	3.6
308.06793	18.6
309.07516	25.4
310.08099	2.8
313.07104	5.5
317.07697	2.3
319.05975	8.1
320.06702	4.8
321.07632	27.6
322.08316	8.2
323.09140	7.5
325.07047	35.4
331.09479	4.8
333.07404	13.6
334.08447	5.1
335.05551	3.6
335.09039	13.7
336.06335	4.1
337.07059	76.4
339.08551	5.5
343.09674	6.2
345.07648	3.2
347.09149	10.9
348.09897	2.1
349.07065	26.1
349.10785	3.6
351.04846	3.0
351.08621	19.8
355.08035	22.6
357.07458	3.2
359.09235	17.4
361.07004	14.4
361.10840	2.9
363.08691	19.0
365.06445	4.3
367.08121	3.9
369.07446	2.6
375.08676	29.1
377.10355	11.8
379.08124	64.3
381.09595	3.7
387.08533	32.0
387.13507	3.0
389.10123	5.4
391.08057	12.0
393.09692	12.0
401.10284	2.9
403.08279	7.6
405.09738	64.3
409.08926	13.7
415.11743	3.3
417.09598	4.8
417.15402	13.6
421.09067	8.3
423.10745	100.0
427.10263	14.1
429.09683	9.0
435.10785	3.8
439.10294	6.6
441.11862	52.1
443.11172	2.6
445.08978	2.1
447.10617	12.5
457.11359	19.3
459.11154	8.2
463.10233	7.1
465.11972	2.4
471.10739	6.6
475.12332	16.6
481.11383	35.0
489.11975	12.5
499.12378	24.2
507.13049	19.8
525.13953	99.5
526.14008	2.2
527.39923	2.1
543.14972	42.3
561.16077	10.4
579.20111	6.8
609.13141	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16982	1.3
61.02913	2.6
64.03263	1.4
69.03434	18.5
69.37628	8.5
69.38054	4.3
71.05001	1.9
71.39980	1.4
81.03415	4.1
85.02888	6.5
85.07655	2.5
91.05474	2.5
95.05008	1.6
98.11586	1.3
100.11232	3.5
104.37164	1.5
105.93951	1.5
107.04933	5.3
109.02860	2.3
111.04415	2.0
115.05416	1.7
117.06908	1.5
119.04945	7.0
121.02868	29.2
123.04437	5.7
126.10261	4.7
127.03915	10.5
135.04411	4.5
139.03900	5.3
145.02847	6.5
147.04428	2.4
151.03831	3.4
161.05966	1.9
163.03894	6.3
165.05429	1.6
165.11349	1.4
167.07069	15.8
173.05951	2.9
175.03902	3.1
177.01857	1.9
177.05367	2.1
179.03331	3.3
181.00356	1.5
181.04976	5.9
187.04022	2.0
189.01855	5.3
191.03386	5.9
195.02867	3.9
199.03937	1.8
201.09108	1.6
203.03410	9.4
203.04984	1.5
205.05006	3.1
207.02933	9.4
209.16371	2.0
213.05458	1.8
215.03424	2.0
217.05023	2.8
219.02798	5.2
221.04425	3.7
225.03809	2.2
226.55106	1.5
229.04919	6.6
233.04526	4.5
245.04521	2.1
247.05972	2.7
255.02803	1.8
257.04465	4.8
267.06610	2.1
268.07364	4.5
271.06055	3.4
275.05487	3.1
275.88550	1.9
279.06448	5.4
280.07233	2.9
281.08035	4.2
283.06125	7.5
284.06635	2.2
285.03906	2.7
287.05429	2.7
291.06226	2.7
293.08032	4.6
293.12949	1.7
294.05197	18.1
294.08423	2.4
295.06006	57.9
295.09402	3.3
296.06635	8.1
297.07715	8.5
298.04868	1.8
304.07092	1.8
305.08191	2.5
307.02679	2.6
307.06012	41.7
308.06757	14.4
309.04114	2.5
309.07529	16.4
313.06973	4.3
318.08875	2.1
319.06000	7.6
319.09448	1.9
320.06769	4.6
321.07562	28.5
322.08350	13.0
323.05634	3.0
323.09103	6.9
325.07047	100.0
326.07764	2.2
331.09531	3.5
333.07614	6.2
334.08420	2.0
335.05356	3.8
335.09091	8.4
336.06113	4.1
336.09769	2.1
337.07043	56.2
338.07852	2.3
339.08652	2.8
345.07480	1.9
347.05319	2.3
347.09225	11.5
349.07062	29.0
349.10965	2.8
351.08582	24.2
355.08261	15.0
357.07404	3.1
360.06348	2.5
361.06998	11.2
363.08609	6.1
365.06528	2.0
365.10284	13.6
367.08014	5.2
373.06918	3.2
375.08658	22.0
377.10315	2.5
379.08118	50.0
381.09586	1.7
385.07352	3.4
387.14221	3.0
389.10330	2.1
391.07980	17.4
393.09677	29.6
401.10193	4.0
403.08115	21.1
405.09680	10.0
409.09195	28.0
411.10767	40.1
415.11829	3.4
419.10971	2.6
421.09167	25.5
423.10629	5.5
427.08316	2.0
429.12082	8.5
439.10233	22.6
441.11807	17.0
447.10736	9.3
453.34113	5.7
457.11313	49.4
459.12897	20.8
465.11743	25.6
471.10764	5.4
477.11716	2.6
483.12918	28.3
489.12112	8.3
495.12848	22.4
502.91980	1.8
507.12878	24.2
513.13824	15.3
525.13959	28.7
543.15015	29.8
561.16089	13.4
579.20691	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	579.1495
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02355	1.0
55.01876	1.6
60.65794	0.8
67.05488	1.1
68.99788	3.1
69.43007	0.7
70.79733	1.6
70.80078	1.0
77.03920	1.1
79.05501	0.8
81.03432	1.4
84.08145	2.1
86.46630	1.1
91.05462	2.0
93.03387	1.5
95.04965	2.7
96.74289	0.8
97.02881	0.9
105.03362	2.3
107.04948	1.7
109.02830	1.3
111.00796	2.6
111.04428	2.0
119.04913	4.5
121.02892	1.6
123.04422	100.0
124.04724	1.0
127.03911	44.3
132.19405	0.7
135.04404	18.9
137.02359	2.5
139.03896	34.6
143.04947	1.2
145.02818	0.9
147.04404	14.3
149.02328	1.9
149.05939	1.6
151.03896	7.3
159.04393	2.7
161.06000	4.7
163.03893	27.4
165.05464	9.2
167.03397	3.1
169.05008	0.7
169.06473	1.6
171.04396	1.0
173.05980	3.0
175.03928	3.6
177.05449	3.2
179.03410	6.0
179.06926	1.0
181.04985	1.4
183.04417	0.9
185.06050	0.8
187.03917	4.7
189.05490	4.5
191.03355	9.0
193.04979	7.5
197.05986	2.1
198.57141	0.8
201.05479	4.9
203.03387	13.6
203.07117	1.6
205.05016	2.1
207.06535	2.4
209.06027	0.9
213.05469	3.8
215.03398	1.0
215.07100	1.6
217.04974	3.0
221.04276	0.8
227.06972	0.8
229.05003	6.5
231.06523	2.1
233.04422	2.9
241.05025	2.7
243.06535	2.4
245.04462	16.6
247.06010	21.7
247.08507	1.4
253.04987	1.4
255.06557	4.9
257.04443	17.0
258.05206	2.2
259.05994	6.7
269.04343	3.6
271.05984	11.4
273.07605	3.5
275.05460	16.2
283.05978	9.2
285.07590	2.5
287.05484	42.1
289.07040	6.5
291.08597	10.3
299.05463	8.8
301.07031	13.9
303.08646	2.0
313.07025	2.9
313.10419	0.9
315.08698	1.0
333.09698	2.2
409.09164	43.5
410.09500	1.4
411.10828	1.1
417.09500	1.1
417.25891	2.5
421.09125	2.1
427.10345	5.1
435.10770	10.1
439.10138	4.0
453.11713	3.5
548.19330	0.9
579.14941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
53.03922	0.7
55.01849	1.6
58.07851	0.7
60.76564	0.6
64.52623	0.7
67.05474	1.0
68.99788	4.8
69.03414	1.0
69.32458	6.1
77.03904	1.4
81.03399	3.3
83.04974	0.7
89.03901	1.6
91.05463	1.6
93.03376	1.3
95.04950	2.8
97.02925	0.7
98.21581	1.4
99.04445	0.8
103.05450	1.1
105.03376	1.5
107.04948	3.9
109.02895	3.1
111.00785	2.0
111.04428	2.1
115.05392	0.9
119.04932	4.3
121.02895	1.7
123.04423	84.6
127.03911	100.0
128.04245	0.7
131.04910	3.1
135.04408	29.9
137.02344	4.6
139.03897	34.0
143.04953	0.8
145.06506	1.4
147.04393	13.7
149.02344	3.8
149.06017	1.9
151.03896	5.9
153.01797	1.2
153.05573	0.7
153.07021	0.9
155.04900	1.1
157.06491	0.9
159.04376	3.3
161.05984	5.1
163.03897	37.4
165.04138	1.2
165.05449	8.9
167.03445	5.5
167.07040	0.7
169.05083	0.8
169.06497	1.5
173.05936	3.6
175.03920	3.6
177.05498	4.3
179.03380	5.1
179.04509	0.5
179.07024	1.3
181.05022	1.8
183.04445	1.1
185.05991	2.0
187.03801	6.0
187.07559	0.7
189.05400	4.1
191.03415	9.2
193.04962	6.1
197.05992	3.5
201.05464	5.8
203.03366	10.9
203.07063	2.6
205.04956	2.7
207.06425	3.6
213.05481	3.4
215.03441	2.3
215.07126	2.7
217.05054	2.6
219.06581	1.0
221.04495	1.2
225.05545	1.9
229.04938	6.9
231.06607	2.6
233.04390	3.7
241.05045	2.0
243.06483	5.0
245.04431	13.8
247.06001	14.9
251.05667	1.0
253.04979	1.7
255.06673	2.1
257.04437	16.4
258.05316	2.8
259.05972	7.1
265.05099	0.9
269.04471	2.5
271.06003	20.4
271.08759	1.2
272.06403	1.0
273.07660	1.5
275.05463	15.1
283.05988	6.3
285.07614	1.8
287.05487	34.6
288.05960	0.9
289.07040	11.0
291.08633	10.2
299.05457	7.9
301.07104	7.7
303.08698	3.4
311.05658	0.8
313.07199	0.9
333.09561	1.0
391.08328	1.2
409.09155	30.2
410.09714	1.3
411.10846	4.2
421.09030	1.2
427.10245	6.7
435.10767	4.7
439.10205	4.5
453.12018	0.9
579.15674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
55.01869	2.2
65.03944	0.9
67.05495	0.8
68.99779	5.2
71.19933	1.5
74.52518	0.9
77.03915	1.2
78.90024	0.7
79.05473	1.1
81.03412	2.7
90.72494	0.9
91.05470	0.8
93.03432	0.9
95.04955	2.9
99.04475	0.9
105.03369	1.2
107.04960	3.2
109.02887	3.1
111.00809	2.8
111.04443	3.2
119.04939	2.8
121.02861	3.4
123.04422	67.1
127.03910	100.0
131.04921	2.2
132.57259	0.7
135.04410	32.2
137.02354	5.5
137.03249	1.1
137.05922	1.4
139.03896	69.6
140.04224	1.3
141.07083	0.7
143.04953	1.4
147.04410	11.4
149.02361	5.8
149.05942	1.7
149.90025	0.7
151.03899	13.4
152.73666	0.9
153.01831	0.9
157.06541	1.4
159.04419	2.7
161.05984	4.4
163.03893	40.7
164.65694	0.9
165.05473	6.2
167.03407	10.1
167.71532	0.9
169.06479	1.9
173.06009	3.6
175.03900	6.7
177.05479	5.1
179.03389	5.7
181.05023	2.1
181.06511	1.8
185.05905	1.9
187.03821	6.5
189.05524	3.3
191.03383	18.3
193.04984	5.2
197.05986	3.2
201.05463	7.9
203.03362	11.6
203.07030	2.4
205.04968	3.5
207.06538	1.0
213.05434	2.6
213.22638	0.8
215.03435	2.0
215.07010	2.1
217.04887	2.3
229.04955	9.8
231.06497	4.1
233.04411	6.0
237.05716	0.9
241.04935	2.5
242.05785	0.9
243.06534	3.6
245.04448	11.3
247.06000	27.1
251.05399	1.8
253.04860	1.2
255.06447	2.6
257.04425	15.4
258.05099	1.3
259.06024	12.7
269.04443	2.7
271.06000	19.7
273.07645	1.5
275.05505	23.9
282.13242	1.0
283.05975	8.4
285.07565	1.2
287.05475	32.4
289.07040	10.3
291.08658	12.2
297.07413	1.1
299.05322	5.1
301.07037	20.1
303.08640	4.3
326.94385	0.9
391.08212	0.9
409.09174	32.6
411.10904	1.8
411.88181	0.9
421.08966	1.6
427.10242	7.8
433.09277	1.0
435.10349	1.0
439.09641	1.3
499.30597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.93267	0.6
53.03930	1.1
55.01876	1.0
62.75104	0.5
65.03957	1.0
67.01842	0.5
67.05509	0.6
68.99789	3.6
71.25928	0.9
79.05470	0.5
81.03408	3.1
93.03383	0.7
95.04961	1.5
99.04416	0.9
105.03379	0.6
105.04633	0.5
105.06989	0.5
107.04952	3.2
109.02855	2.9
111.00805	1.6
111.04441	1.9
117.03359	0.7
119.04944	0.8
121.02899	1.2
123.04424	35.6
124.04739	0.5
127.03913	100.0
128.04242	1.1
131.04933	2.2
135.04411	24.9
137.02364	1.6
137.05888	0.8
139.03900	37.5
140.01219	0.6
141.06981	0.7
143.04825	0.6
145.06445	0.8
147.04430	4.7
148.90080	0.6
149.02354	3.0
149.05981	1.7
151.03911	6.9
159.04434	3.7
161.05998	2.5
163.03900	33.5
165.05487	5.6
167.03426	6.4
169.06519	1.0
173.06001	2.1
175.03862	3.1
177.05475	2.8
179.03442	2.4
181.06509	0.6
183.04457	1.0
187.03871	5.1
187.07565	0.6
189.05545	2.0
191.03392	6.8
193.04947	3.2
193.21114	0.5
196.56970	0.6
197.06027	2.5
197.17435	0.5
200.04636	0.5
201.05429	4.0
203.03378	6.1
203.06992	2.4
205.04953	1.9
207.06546	1.0
213.05441	1.2
215.03488	1.5
215.07053	2.3
217.04942	1.9
220.05850	0.5
225.05402	1.5
229.04919	4.7
231.06529	1.3
233.04413	4.4
241.04926	1.3
243.06497	3.4
245.04504	3.9
247.06006	13.7
251.05576	1.0
253.04947	1.0
255.06587	1.1
257.04428	8.2
259.06042	8.8
261.07562	0.8
269.04501	1.7
271.06015	21.0
275.05487	16.7
276.05978	0.6
283.05954	5.6
287.05484	19.1
288.05814	0.6
289.07074	14.3
290.07361	0.8
291.08615	12.2
299.05542	4.0
301.07043	11.7
303.08554	3.2
311.05411	0.7
313.44406	0.6
391.07950	0.7
409.09164	23.4
410.09512	0.9
411.10931	2.7
421.08990	1.5
427.10233	5.4
435.10870	1.6
439.10590	0.8
557.29535	0.6
592.44794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03915	0.7
53.15596	0.7
55.01862	1.7
68.99780	4.3
71.38541	1.5
77.21632	0.6
81.03423	3.1
83.04977	0.9
85.02914	1.8
89.03886	1.1
89.81535	0.6
91.16285	0.7
95.04960	1.7
99.04447	1.3
105.03378	0.8
107.04942	2.6
109.02872	3.2
111.00800	2.0
111.04433	2.6
115.05457	0.9
119.01898	0.6
119.04928	1.7
121.02860	1.3
123.04424	38.4
127.03910	100.0
131.04913	1.7
135.04405	26.4
135.05446	1.3
137.02335	3.6
137.05995	1.4
139.03896	45.2
140.04202	0.7
141.06999	1.5
145.06522	0.8
147.04382	5.1
149.02370	5.0
149.05988	1.3
151.03899	8.9
153.01814	1.2
153.06982	0.6
157.06573	0.8
159.04457	1.7
161.05980	3.8
163.03889	33.6
164.89241	0.7
165.05481	5.2
167.03378	7.4
169.06490	1.4
173.06007	3.5
175.03914	2.9
177.05490	2.9
179.03438	3.3
185.02936	0.8
185.06036	1.0
187.03886	5.6
187.07484	0.8
189.05518	2.7
191.03394	10.5
193.04991	4.1
197.05997	2.7
201.05461	5.6
203.03387	7.2
203.07043	1.9
205.04994	3.3
207.06587	0.9
213.05457	1.0
215.03401	1.7
215.07083	1.9
217.05061	1.6
225.05569	0.8
229.04961	6.7
231.06529	1.5
233.04388	5.7
237.06024	0.8
241.04980	1.6
243.06464	4.4
245.04558	7.1
247.06015	16.3
248.08609	0.7
251.05394	1.2
253.04956	1.2
255.06593	1.4
257.04456	8.6
258.05112	1.1
259.03229	0.8
259.06012	8.6
261.07623	1.1
264.30353	0.7
269.04333	2.2
271.05988	16.6
271.08838	1.0
275.05444	17.8
277.03503	1.3
283.05994	5.7
287.05466	20.2
289.07016	11.1
291.08569	11.0
297.14505	0.6
299.05615	4.2
301.07047	12.4
303.01358	0.8
303.08643	2.2
349.77997	0.7
379.01044	0.7
394.73676	0.7
409.09155	21.8
411.10754	2.8
427.10086	5.4
435.10574	0.9
458.94952	0.7
514.89429	0.7
552.16235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01880	4.0
55.05507	4.6
57.03429	5.6
57.07047	0.8
59.04990	2.5
61.02916	9.4
61.08020	0.7
66.70373	0.7
67.05503	8.9
69.03086	1.3
69.03430	15.7
69.07057	5.3
70.91292	1.4
71.04987	2.5
73.02911	2.8
76.64000	0.7
79.05492	5.8
80.91864	0.7
81.03419	10.6
81.07055	23.7
82.03751	0.9
83.04967	2.0
83.08619	3.8
85.02905	100.0
85.06525	0.7
87.04472	3.2
91.03957	5.7
91.05463	3.7
93.07037	7.1
95.04989	3.1
95.08609	19.1
96.08958	0.9
97.02889	27.2
97.06528	1.6
97.10179	2.9
99.04440	3.8
101.19571	0.7
105.07041	4.1
106.07409	0.8
107.04953	1.3
107.08584	7.5
109.02882	8.8
109.06501	1.3
109.10146	15.0
111.08087	1.3
114.71582	0.9
115.03947	1.0
119.08571	3.9
121.06520	0.8
121.10151	10.9
123.11707	2.4
125.09628	1.0
127.03922	25.7
127.63227	0.8
129.07016	1.8
131.08580	1.8
133.10118	2.7
135.08136	0.8
135.11679	7.3
137.09610	3.0
137.13261	10.1
139.03935	1.0
144.06561	1.1
145.04955	40.2
145.10146	2.2
146.10373	0.8
147.11731	1.8
149.13277	2.2
155.10635	3.7
162.07692	1.0
163.06007	14.0
163.11191	2.0
167.10728	0.9
173.11943	0.7
175.11151	1.2
177.16409	1.3
180.08707	0.9
181.12222	2.8
191.17941	26.3
191.19621	1.4
193.12253	1.5
201.16481	2.9
211.13341	1.9
212.13550	0.8
219.17451	10.1
223.13297	0.8
229.14372	1.3
237.18629	3.3
244.44879	0.9
267.15942	1.6
285.16806	0.8
324.13083	0.9
463.57959	0.9
560.37000	1.0
579.15839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01878	12.7
55.05511	51.3
57.03435	13.8
57.07063	9.7
59.04995	3.0
65.03962	3.9
67.05502	100.0
69.03429	6.0
69.07067	37.3
71.04996	11.5
71.08627	5.9
71.12252	6.0
71.12597	3.3
79.05489	67.2
79.05924	5.3
81.03419	7.0
81.07056	94.1
83.04974	8.9
83.08614	31.8
85.06540	9.7
88.75188	2.4
91.05473	61.1
93.07041	73.6
93.07645	3.8
95.04957	17.9
95.08610	54.1
97.06532	11.9
97.10170	31.0
99.08074	6.7
102.04819	2.5
105.07024	60.5
107.04958	8.8
107.08597	44.2
108.57056	2.7
109.06516	11.1
109.10148	27.5
111.04458	2.8
111.08084	10.8
113.09580	2.5
117.07015	27.5
119.04900	3.7
119.08577	44.6
121.06511	11.8
121.10143	29.6
123.08070	7.9
123.11702	13.0
125.09626	26.2
128.06255	6.9
129.06990	15.8
131.08559	39.3
133.06499	4.5
133.10110	29.4
135.08070	12.0
135.11649	15.0
137.09575	4.5
137.13208	4.0
141.06956	4.2
143.08578	18.3
145.06496	5.2
145.10126	20.0
147.04381	7.6
147.08044	5.5
147.11667	23.6
149.09601	8.1
149.13271	9.9
151.11165	9.1
153.09033	3.4
154.07915	2.9
155.08565	10.8
156.09364	2.6
156.24875	2.5
157.10120	12.3
159.11697	11.3
161.09601	5.1
161.13226	7.4
163.11191	9.5
163.14839	5.4
167.08542	3.3
169.10135	6.9
171.11676	12.1
173.09695	6.4
173.11899	3.5
173.13197	12.7
175.11198	3.7
175.14883	5.3
177.12720	5.5
179.11856	2.8
181.10110	6.1
181.12079	2.5
183.11699	7.4
185.13333	9.6
187.14864	9.4
189.11208	13.8
189.12723	5.2
189.16371	9.0
195.11624	3.9
197.13309	5.0
199.13190	2.8
199.14835	6.0
201.16365	7.3
203.17831	3.3
209.13380	3.4
211.14871	5.9
213.16362	5.7
217.15952	3.2
223.14946	4.4
225.16476	4.0
227.12750	35.4
227.17877	4.5
229.14273	3.2
241.19766	3.7
253.14296	4.2
261.22144	4.5
267.15918	5.2
269.17523	7.5
273.18530	6.0
275.20163	3.8
275.23572	3.1
287.23575	3.4
291.19608	10.9
299.23621	5.2
301.25180	17.7
315.23285	4.0
365.23166	5.2
373.27454	3.5
407.24072	3.7
417.31448	4.1
421.25916	5.7
435.32404	12.1
445.33167	3.9
453.33383	13.0
471.34875	9.2
501.35635	16.5
509.35995	5.3
519.36810	49.0
527.37189	44.3
528.37671	4.3
545.38452	44.7
546.38501	4.2
559.40857	17.8
577.41357	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.6
54.77131	1.6
55.01870	20.1
55.05513	43.6
57.03436	19.1
57.07067	3.5
59.35464	1.7
65.03930	7.8
67.05502	88.7
69.03436	8.9
69.07064	29.7
69.39973	13.6
69.40385	3.3
71.04988	8.5
73.02968	1.8
79.05490	73.3
81.02934	3.4
81.03416	68.2
81.07052	100.0
82.07360	1.8
83.04977	25.3
83.08104	1.7
83.08615	37.3
85.02900	27.7
85.06535	7.3
91.05472	76.8
93.07037	59.0
95.04959	43.2
95.08604	53.9
97.02903	4.9
97.06532	23.7
97.10169	14.7
98.00539	1.6
99.04456	2.1
99.08067	5.5
99.68460	1.7
101.06091	1.9
105.04544	1.8
105.07029	65.8
107.04946	21.6
107.08585	40.6
109.06516	17.9
109.10143	28.8
111.04420	5.9
111.08072	12.6
113.03831	1.9
113.05991	3.8
115.05473	5.6
117.07001	15.7
119.04890	2.7
119.08576	56.1
121.06465	9.8
121.10126	26.3
121.58620	1.6
123.04417	8.3
123.08073	10.1
123.11704	13.1
125.09615	11.1
127.03919	4.7
127.07556	2.9
128.06212	4.3
129.06992	18.5
131.08562	28.7
133.06470	5.6
133.10129	38.0
135.04468	2.2
135.08047	11.8
135.11707	10.7
137.05959	3.3
137.09639	9.6
139.03908	5.0
139.07512	2.2
139.11168	1.7
140.98199	1.7
141.06973	2.8
142.07790	4.9
143.08548	6.3
145.02788	2.7
145.06497	3.1
145.10103	26.1
146.46776	1.7
147.04420	3.2
147.08031	5.7
147.11668	37.7
149.09619	29.7
149.13290	4.7
151.11182	5.8
153.07045	2.2
153.09120	2.8
153.12779	2.1
155.08595	3.9
157.10109	20.1
159.08099	2.3
159.11707	14.2
161.09659	3.2
161.13229	5.3
163.03931	4.4
163.11192	14.1
165.12711	11.4
169.10133	7.0
171.10316	2.4
171.11700	6.5
173.09627	4.3
173.11784	2.7
173.13258	7.8
175.11217	17.5
175.14723	3.4
177.05429	6.2
177.12720	4.9
181.12164	2.9
182.02083	2.1
183.11696	5.6
185.13307	3.4
187.11290	2.3
187.14801	2.6
189.11218	6.1
189.12775	3.0
193.10460	3.9
193.12221	50.9
197.13258	4.3
201.12759	2.1
201.16446	1.8
205.15872	2.5
207.06541	2.4
211.13258	53.2
217.15881	2.4
219.17514	2.3
227.12715	9.4
227.57622	1.7
229.14351	2.3
229.19449	4.5
233.22992	1.8
239.17992	6.5
241.14326	2.8
247.20610	5.1
257.19034	10.9
265.21542	1.9
267.15875	19.5
273.18658	2.4
275.20056	76.3
285.16934	26.2
287.05545	3.2
293.21097	12.5
315.22986	2.5
317.06522	3.5
331.22375	2.5
349.23752	33.6
367.24771	4.9
381.22281	2.8
449.30264	3.4
467.31299	4.5
485.32700	2.9
503.33316	2.3
541.35144	13.7
559.36298	28.8
577.22644	2.3
577.37512	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
55.01875	31.0
55.05271	4.6
55.05510	49.1
57.03437	16.8
57.07056	3.7
65.03926	5.7
67.05502	100.0
69.03409	5.8
69.07067	37.6
71.04977	12.2
79.05492	75.6
81.03419	45.9
81.07052	90.5
82.07372	3.2
83.04993	21.2
83.08611	36.3
85.02878	17.3
85.06522	7.6
91.05476	87.8
93.06484	5.4
93.07037	64.5
95.04970	31.0
95.08004	3.4
95.08601	49.0
97.06528	40.3
97.10176	25.7
99.08089	6.9
102.22063	2.9
103.05457	4.9
105.07023	68.8
107.04972	23.4
107.08586	47.1
109.06504	14.5
109.10156	32.3
111.04437	6.7
111.08068	11.1
115.05450	7.9
117.07008	26.6
119.08568	45.2
121.06481	7.9
121.10145	28.4
123.04440	4.8
123.08046	8.3
123.11693	6.7
125.09640	16.7
126.63943	3.0
127.07636	4.1
129.07007	20.5
131.08565	39.5
133.06494	7.6
133.10109	39.7
133.94563	3.2
135.08015	9.8
135.11682	14.0
137.09590	12.6
141.07013	3.5
142.07755	6.5
143.08543	17.0
145.06522	4.8
145.10115	28.8
147.08000	11.5
147.11708	24.2
149.09616	22.5
149.13210	6.3
151.11159	9.4
153.09056	4.4
155.08540	7.9
157.10110	21.2
159.11662	20.1
161.09668	5.4
161.13257	9.5
163.11154	13.4
169.10168	7.6
171.11687	13.9
173.09587	5.1
173.11803	6.7
173.13260	12.4
175.11136	14.2
175.14722	4.1
177.12721	6.3
179.14249	7.0
181.10098	3.8
181.12236	3.8
183.11681	7.7
185.09645	4.1
185.13161	7.4
187.11177	8.3
187.14787	5.7
189.11153	10.0
189.12733	5.6
193.12215	32.0
197.13373	4.4
200.45258	3.2
201.12643	3.4
205.12349	3.3
205.15813	3.7
209.11758	4.1
211.13248	40.2
213.16455	3.1
223.15198	3.1
227.12648	14.9
229.14227	7.7
229.65703	4.0
247.20743	5.1
257.18930	6.5
259.20605	6.5
267.15775	14.7
273.18530	5.1
275.20056	78.1
277.21606	8.0
283.15439	4.0
285.16898	29.8
291.19498	8.1
293.21057	18.1
315.23047	6.7
331.90918	3.2
349.23669	31.4
378.61063	3.4
431.29065	5.2
467.31540	5.3
479.29971	5.6
485.32602	5.1
508.40594	3.7
541.35260	26.1
559.36267	54.9
577.13684	4.2
577.28180	4.2
577.37195	64.0
578.37463	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	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82853	1.2
53.03945	8.5
55.01868	28.9
55.05509	42.9
57.03439	17.7
57.07066	3.5
65.03937	3.3
67.05502	84.2
69.03432	8.0
69.07066	34.4
70.07364	1.7
70.41907	3.1
70.42277	3.4
71.04984	9.1
79.05490	72.3
81.03414	57.6
81.07052	100.0
82.18137	1.7
83.04980	24.0
83.08618	35.5
85.02430	2.7
85.02901	22.9
85.06544	6.0
91.05478	84.7
93.07040	66.9
95.04974	34.5
95.08603	49.9
97.02901	2.6
97.05936	2.3
97.06532	36.7
97.10160	17.2
99.08088	4.9
103.05470	4.2
105.07027	79.1
107.04955	25.7
107.08589	42.4
109.06517	11.6
109.10149	24.0
111.04446	5.5
111.08080	11.3
113.06001	2.9
115.05472	5.0
116.06203	2.0
117.07024	19.3
119.04910	2.0
119.08575	57.6
121.06511	9.6
121.10133	26.3
123.08043	10.4
123.11680	10.4
125.09630	13.2
128.06201	4.0
129.07014	15.6
130.07715	2.2
131.08559	37.4
133.06516	4.9
133.10124	42.4
135.08063	11.3
135.11687	15.1
137.09618	10.9
137.13264	2.3
139.11115	2.5
141.07005	3.5
142.07790	3.0
143.08559	7.8
145.06462	3.0
145.10115	23.4
147.08057	6.9
147.11673	35.4
149.09601	38.1
149.13252	6.6
151.11197	5.0
155.08569	3.4
157.10118	20.0
159.08040	2.3
159.11659	16.2
161.09624	4.5
161.13205	6.7
163.11185	15.2
165.09137	3.3
165.12752	5.9
167.08545	1.7
169.10077	4.3
169.12337	2.0
171.10269	3.4
171.11705	7.7
173.09570	1.5
173.11839	2.7
173.13255	8.5
175.11186	14.3
175.14870	1.6
177.12726	5.0
179.14357	3.3
181.10207	2.8
183.11707	6.6
185.13275	2.3
187.11218	4.9
187.14836	2.2
189.11223	15.2
189.12756	2.9
189.16298	2.0
193.12244	50.3
197.13297	4.0
199.14825	3.7
205.12375	1.8
209.13278	2.1
211.13266	61.7
215.17783	2.4
227.12721	21.3
229.14278	2.3
229.19421	4.3
239.17986	6.1
247.20592	5.1
257.19019	12.1
259.20520	3.2
267.15894	23.8
273.18341	2.7
275.20044	89.4
283.15414	4.1
285.16946	38.5
289.17563	1.6
291.19638	4.0
293.21170	12.6
301.16574	2.0
301.21619	3.1
313.21585	2.2
317.21103	2.0
333.24274	1.9
349.23727	46.3
363.21585	2.1
367.24670	2.9
375.25085	2.7
381.22681	4.1
431.28809	1.6
444.03598	1.8
449.30411	4.6
463.30267	3.2
467.31549	5.1
479.29996	8.2
485.32526	4.6
541.35199	18.0
559.36395	40.9
577.29358	2.4
577.37463	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01872	24.9
55.05509	57.8
57.03440	17.1
57.07083	5.8
61.24777	2.8
65.03926	6.8
67.05503	100.0
69.03425	7.4
69.07066	37.5
69.48193	6.5
69.48605	17.8
71.04997	13.8
71.08615	5.3
79.05486	68.7
81.03408	39.0
81.07051	89.5
83.04961	16.2
83.08620	32.9
85.02901	13.8
85.06541	6.3
86.14540	2.8
91.05476	80.0
93.07034	70.7
95.04974	28.5
95.08604	45.6
97.06532	31.7
97.10140	20.9
99.08075	8.3
101.17513	2.8
105.07024	75.4
107.04961	22.5
107.08595	47.2
109.02891	2.7
109.06500	15.4
109.10152	37.5
111.04507	3.2
111.08078	11.7
115.05476	7.4
117.07005	33.3
119.08575	49.6
120.92699	2.8
121.06509	6.8
121.10139	22.2
123.04478	3.3
123.08086	7.1
123.11697	6.5
125.09647	11.3
128.06232	3.7
129.05513	4.1
129.06989	19.1
131.08560	40.5
133.06511	4.7
133.10115	37.5
135.08047	10.2
135.11682	14.7
137.09628	7.6
138.27702	3.1
139.11118	3.5
141.06987	5.9
142.07768	4.0
143.08556	12.2
145.06453	6.2
145.10106	29.2
147.08084	6.9
147.11676	31.6
149.09605	16.9
149.13249	7.4
151.11159	8.7
153.09009	2.8
155.08559	8.5
157.10126	21.4
159.11668	17.4
161.09564	4.4
161.13252	8.5
163.11172	11.8
165.12712	3.5
167.08537	3.6
169.10136	8.2
171.11703	9.2
173.09647	6.0
173.11763	5.3
173.13271	10.0
175.11203	10.2
179.14307	7.9
183.11702	5.7
185.13249	5.4
185.44572	2.8
187.11189	4.6
187.14774	3.7
189.11221	8.7
189.12729	4.2
191.08885	2.8
191.10573	3.8
193.12257	22.6
195.11649	5.5
200.03358	2.7
201.16336	5.2
202.91875	3.5
203.14293	3.2
205.12242	2.8
205.15915	3.3
211.13232	33.1
213.12819	3.3
213.16318	3.2
219.13783	4.0
227.12769	7.4
229.14308	8.9
239.17952	5.0
247.20615	3.7
257.19019	9.2
259.20621	5.9
267.15903	18.2
275.17310	5.4
275.20084	63.1
277.21613	7.8
285.16937	22.8
291.19431	8.8
293.21149	20.0
314.06561	3.2
315.23233	4.2
333.24063	3.4
349.23746	27.8
367.24799	3.1
449.30081	4.5
466.60333	3.1
467.31729	7.0
485.32623	4.7
541.35352	17.8
545.38165	5.1
559.36230	46.2
566.46387	3.0
577.37427	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01869	16.8
55.05509	53.3
57.03435	18.1
57.07064	6.4
59.04981	3.8
59.22035	2.3
65.03933	6.2
67.05505	100.0
69.03416	8.0
69.07066	38.3
69.53120	4.1
69.53522	17.1
71.04979	11.7
71.08627	2.9
73.02910	3.0
77.03898	3.8
77.73711	2.7
79.05492	90.1
80.05836	2.8
81.03426	32.9
81.07052	92.9
82.07372	2.7
82.95535	2.7
83.04976	20.9
83.08617	30.6
85.02876	10.7
85.06532	7.5
91.05476	79.2
93.07039	75.7
95.04967	35.0
95.08600	48.8
97.06529	25.3
97.10166	17.0
97.10693	2.8
99.08079	5.0
105.07027	82.9
107.04953	25.9
107.08589	51.3
109.06493	10.8
109.10152	36.3
111.04432	9.4
111.08063	11.4
115.05427	7.1
117.07011	37.4
118.07314	2.9
119.08574	51.5
119.65054	2.2
121.06511	9.6
121.10143	40.6
123.08071	13.7
123.11703	7.8
125.09623	15.4
126.05348	2.5
128.06248	5.3
129.06984	27.4
131.08557	42.3
133.06483	9.9
133.10118	40.0
135.08040	11.3
135.11670	26.3
137.09601	10.2
139.11169	4.2
141.06963	3.6
142.07793	4.6
143.08546	16.8
145.06468	6.0
145.10117	40.0
147.08054	9.1
147.11684	30.9
149.09610	15.9
149.13239	7.5
151.11140	7.3
153.12708	4.8
155.08531	10.0
157.10104	19.5
159.08015	3.2
159.11687	20.3
161.09616	7.1
161.13266	16.7
163.11182	25.9
163.14954	2.9
165.12885	3.4
169.10139	7.8
171.07980	3.1
171.11664	13.0
173.09583	7.4
173.11855	5.1
173.13210	15.1
175.11128	12.1
175.14795	10.6
177.12712	6.1
179.14380	4.2
181.12221	6.9
183.11662	7.8
185.13274	9.5
187.14835	5.1
189.11191	6.8
189.12701	4.1
191.10593	5.5
193.12242	20.6
195.11716	5.1
197.13208	5.1
199.14801	5.6
211.13277	18.0
227.12764	13.7
229.14299	7.2
241.19501	11.1
253.14511	3.4
257.19016	7.3
259.20490	19.7
267.15823	13.4
271.20401	4.5
273.18484	5.2
275.20053	32.6
277.21591	9.2
283.15262	7.4
285.16913	10.2
291.19522	16.2
293.20935	12.8
301.16537	13.1
301.21558	4.1
313.21680	4.2
315.23087	5.0
331.22678	3.7
333.24261	13.0
349.23706	14.5
421.30930	3.1
431.29315	5.1
449.30325	7.7
467.31467	8.8
479.30356	12.1
485.32397	6.7
513.36377	3.3
523.34161	5.2
541.35260	24.1
559.28656	4.5
559.36243	47.9
577.37378	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.03423	0.7
65.03931	0.7
67.05480	0.9
67.88142	0.4
67.90582	0.5
69.03423	1.9
69.07063	0.6
69.94047	1.9
69.94469	0.9
73.02877	0.5
77.03934	0.5
77.49210	0.5
79.05496	1.5
81.03404	2.0
81.07050	1.8
83.04960	0.7
85.02895	1.2
86.06046	1.5
87.97074	0.5
89.03933	0.7
91.05477	19.7
93.07039	1.4
95.04957	0.9
95.08595	1.0
96.97755	0.5
98.21447	0.5
103.05480	0.7
103.40962	0.5
105.07015	1.9
107.08575	2.5
109.02876	1.1
109.10143	1.8
116.10738	2.8
117.11019	0.7
119.04942	25.4
119.08543	2.1
121.10132	1.8
122.07265	0.9
123.04430	0.8
127.03887	0.6
131.04892	0.6
132.02060	1.2
133.09132	0.9
133.10126	14.2
135.04381	0.9
135.08025	1.4
136.05194	0.6
137.09615	8.6
138.80122	0.5
139.03944	0.6
141.09113	0.5
145.02820	0.7
147.04401	24.3
149.02367	0.9
149.13266	1.3
157.03960	2.3
157.11908	0.5
164.04713	0.7
173.13223	0.6
175.03903	43.0
177.05498	0.7
179.06985	2.5
191.14288	7.5
192.04131	0.6
207.06522	100.0
209.15427	0.6
225.07562	0.9
227.26033	0.5
231.13359	0.5
238.43532	0.5
247.06207	0.5
265.14584	0.5
280.19220	0.5
316.21231	1.5
317.21677	2.4
329.44427	0.5
351.10623	3.3
369.11713	6.5
478.26532	1.0
479.26840	1.7
479.80795	0.6
517.62885	0.5
577.21033	1.0
577.28717	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	577.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13496	0.4
55.05489	0.5
55.09919	0.3
65.03937	1.4
67.05502	0.8
69.03421	2.2
69.07060	0.9
69.46445	2.9
70.35485	0.4
71.04970	0.9
75.91304	0.3
77.03902	0.5
77.47063	0.3
79.05473	0.8
81.03415	3.3
81.07049	1.7
81.28856	0.4
83.04980	0.8
84.84830	0.4
85.02912	1.2
89.03923	0.6
91.05477	20.7
93.07043	1.6
94.62433	0.4
95.04960	1.4
95.08629	2.0
97.02874	0.7
97.06520	0.5
99.04417	0.5
103.05457	0.7
105.03398	0.5
105.07018	1.4
107.04927	0.6
107.08570	2.0
107.09208	0.4
109.02876	1.2
109.06515	1.5
109.10153	1.2
117.07007	0.5
119.04933	29.9
119.08553	1.2
121.02924	0.5
121.06482	0.7
121.10129	2.2
123.04398	1.2
123.08043	1.2
123.11686	0.7
127.03883	1.3
131.04860	0.5
132.02066	1.7
133.10141	0.6
135.04385	1.0
135.08028	1.0
135.11681	0.5
136.05200	0.6
137.05963	1.2
137.09622	2.7
137.13261	0.4
138.06303	0.7
139.03897	1.0
143.04877	0.8
144.05283	0.7
145.02856	0.8
145.10129	0.5
146.03661	0.4
147.04402	25.7
147.11626	0.5
148.04666	0.3
149.02353	1.1
149.09616	1.8
149.13254	1.2
150.86397	0.4
151.11134	2.4
157.03960	2.6
161.05916	0.7
161.09538	0.7
163.03870	1.0
163.11182	0.5
164.04643	0.9
165.12744	7.4
173.13304	0.7
175.03897	50.0
175.07402	1.3
176.04353	0.4
176.07857	0.6
177.05457	1.2
179.07060	3.0
181.04836	0.4
191.06946	0.5
191.14284	2.7
203.06973	0.7
207.06511	100.0
208.06790	1.0
209.15353	16.0
222.08366	0.4
271.02612	0.4
287.80197	0.4
351.10565	1.6
366.12671	0.5
369.11734	2.2
577.21307	0.6
577.29565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
55.08702	0.8
60.14822	0.7
65.03920	2.0
67.05495	2.2
67.34956	0.7
67.35362	0.6
69.03419	3.9
69.07058	1.9
70.63992	1.7
70.64397	1.7
71.04990	1.1
77.03880	0.8
79.05479	3.1
81.03388	3.1
81.07047	4.2
83.04961	3.2
85.02893	1.7
85.06535	1.0
91.05468	20.9
93.07053	3.7
95.04945	1.4
95.08588	3.2
97.02894	1.4
97.06506	0.9
97.10173	0.9
99.04455	1.2
103.78185	0.8
105.07046	3.9
107.04955	0.7
107.08585	7.5
109.02850	2.0
109.06484	0.8
109.10175	3.5
111.32278	0.7
117.03375	1.0
117.06999	1.2
119.04935	27.5
119.08569	3.2
121.06499	1.5
121.10144	5.5
123.04399	3.4
123.08067	0.9
123.11716	0.9
125.09618	1.0
127.03894	2.7
131.08545	2.7
132.02083	1.6
133.10114	17.5
135.04391	2.0
135.08034	3.7
135.11696	1.7
137.05978	1.0
137.09592	8.7
139.03854	1.7
143.08632	1.0
145.10089	1.8
147.04393	24.7
147.08023	0.8
147.11673	2.4
149.09575	1.1
149.13251	2.5
157.03964	2.4
161.05984	1.0
161.13229	1.0
163.03871	3.5
163.11368	1.0
165.12659	0.8
167.07048	1.2
173.13242	1.9
175.03894	43.6
177.05412	2.3
179.07059	2.0
191.14287	32.9
192.04140	1.3
207.06511	100.0
208.06834	1.4
209.15398	1.1
225.05486	0.9
225.07458	1.0
231.10071	1.2
254.05807	3.9
269.08078	11.9
287.05383	0.9
351.10757	2.4
369.11716	4.8
383.70895	0.9
397.20010	1.2
409.09012	0.8
577.21210	1.2
577.30054	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	576.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	2.6
55.05518	6.0
55.95625	1.4
56.05018	1.7
57.03431	2.5
61.02924	1.6
63.13041	1.0
65.03941	1.9
67.05500	9.8
69.03425	12.0
69.07068	3.1
69.70477	8.1
70.06568	2.7
71.04981	2.3
71.07262	1.0
71.08625	10.0
72.08136	4.2
73.02901	2.0
79.05496	6.2
81.03426	6.9
81.05730	1.3
81.07056	8.2
83.04958	2.1
83.08611	1.4
84.04488	1.2
84.08135	1.7
85.02905	11.5
86.06066	44.5
87.04433	1.3
90.33802	1.1
91.05478	20.3
93.07040	9.6
95.04967	3.4
95.08605	18.7
96.08136	9.4
97.02872	5.9
98.06038	1.8
98.09689	15.0
99.04465	6.3
99.08102	14.0
103.03984	1.2
105.07010	4.6
105.31139	1.3
107.04914	1.2
107.08582	4.5
108.08101	3.5
109.02869	5.0
109.06502	2.7
109.10131	7.6
112.40072	1.2
114.09164	2.8
116.10728	100.0
117.07003	1.9
119.04950	13.6
119.08582	15.8
121.06477	1.9
121.10130	5.1
122.09686	3.2
123.08013	2.6
124.07574	3.7
124.20834	1.2
125.05926	1.2
125.12722	1.2
127.03928	8.2
128.06168	1.4
131.08583	2.2
133.10092	9.0
135.04395	1.3
135.08046	2.1
137.05988	2.0
137.09605	16.8
139.03897	1.5
140.10695	2.4
142.08632	10.0
142.12270	1.3
143.10674	7.9
143.76799	1.3
145.02890	1.3
145.04900	2.3
145.10112	1.9
147.04417	16.0
147.08035	4.3
147.11635	1.6
149.09575	1.4
152.10706	1.3
157.03990	1.9
163.03925	1.7
165.09157	2.9
173.13326	1.7
175.03914	21.7
177.05403	1.5
181.12173	1.2
183.13927	1.3
188.10176	1.1
191.14285	3.9
196.16985	1.8
207.06526	54.8
209.11664	2.3
214.18036	15.4
236.20056	1.9
238.18016	3.2
243.12309	1.1
254.21165	11.9
256.19043	9.5
261.13297	3.0
262.17953	1.7
280.19052	15.9
298.20163	9.8
316.21185	84.8
317.21384	1.6
351.10721	3.1
358.22144	1.5
369.11649	3.1
369.15448	2.7
370.15396	5.3
387.27402	1.1
414.28516	15.5
424.23187	3.4
442.24576	5.8
447.71179	1.1
460.25372	26.6
461.26007	1.4
478.26489	69.2
479.26678	1.7
522.30188	1.6
540.31158	3.1
558.32727	19.0
576.27655	13.1
576.33997	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
59.04715	3.2
59.04999	38.7
67.05500	12.7
69.03422	8.0
69.07066	5.5
69.32449	18.7
70.01256	1.9
71.04978	1.9
79.05489	8.1
81.03418	4.1
81.07066	9.7
83.04996	2.5
84.24619	2.2
85.02895	3.0
91.05479	3.8
92.96828	2.4
93.07060	4.5
95.04979	6.1
95.08611	37.4
97.02861	2.8
97.06513	12.9
105.07061	6.2
105.78294	2.2
107.04956	5.9
107.45161	1.8
109.02876	34.8
109.10154	40.1
111.04463	2.0
119.04938	3.8
119.08588	18.9
120.08987	1.7
121.10152	23.4
123.04443	4.5
123.08065	58.9
125.05990	3.3
127.03947	2.1
135.04420	4.6
137.05980	8.4
137.09625	36.8
139.11169	6.5
139.57973	1.7
141.09100	17.3
147.04443	5.2
147.08066	9.3
165.07800	3.7
165.09128	46.0
175.03900	2.1
179.07022	3.7
179.89622	1.9
183.10167	100.0
201.11201	10.9
203.07098	2.4
207.06612	3.0
233.08080	2.6
237.93997	2.1
252.20114	1.9
257.08548	2.8
289.87479	2.2
303.04956	2.5
327.14383	6.7
345.15427	8.7
438.21768	1.8
475.19901	2.0
576.18115	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	576.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	29.0
67.05492	9.9
69.03412	5.2
69.07074	3.3
71.51205	3.5
79.05475	3.3
81.07045	7.3
84.04497	2.9
86.09697	4.0
91.05479	3.7
93.07046	7.8
95.04939	4.8
95.08598	33.2
97.06541	9.7
99.04437	2.8
105.07034	3.9
107.04942	3.1
109.02882	26.2
109.10146	32.7
119.08584	13.3
121.10143	20.3
123.04424	5.4
123.08060	48.2
125.06032	3.2
127.03854	4.9
137.05936	5.6
137.09624	27.0
139.11121	5.3
141.09087	13.6
147.04448	5.1
147.08020	6.4
151.03888	2.9
153.01830	2.6
163.03963	4.0
165.09113	36.7
167.10692	2.7
175.46332	2.5
179.07050	3.5
183.10153	100.0
184.52299	2.3
199.35114	2.2
201.11238	10.5
207.06494	2.4
247.05908	3.5
257.07947	2.6
327.14368	6.8
333.86307	2.2
340.13666	2.8
345.15454	10.8
576.17706	4.2
576.26740	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03937	8.3
53.98963	1.9
55.01872	12.2
55.05511	56.4
57.03434	13.7
57.07064	6.0
59.04984	5.1
65.03937	5.2
67.05505	100.0
67.74593	1.6
69.03425	5.2
69.07071	31.4
71.04996	16.6
71.08631	2.9
77.03885	2.0
78.08908	1.8
79.05494	68.2
80.05817	2.7
81.03413	8.1
81.07056	83.1
82.07360	3.0
83.04984	12.4
83.08620	19.0
85.02905	2.2
85.06543	11.6
87.04433	1.9
91.05479	68.2
92.05827	3.8
93.07040	76.0
95.04971	17.8
95.08607	66.2
96.08881	1.8
96.19894	1.8
97.06513	13.2
97.10168	22.9
98.06820	3.1
99.08102	15.2
103.05487	4.6
105.04501	2.3
105.06312	3.5
105.07029	55.9
106.07355	2.4
107.04933	11.2
107.08590	42.7
107.55544	1.9
107.78414	1.7
109.06538	10.1
109.10157	25.0
111.04483	1.6
111.08073	5.9
113.09621	2.6
115.05418	3.3
116.06229	2.3
117.07017	26.2
119.06068	1.6
119.08572	48.3
121.06534	9.0
121.10133	34.6
122.48261	2.1
123.08047	10.0
123.11694	5.2
125.09639	19.8
127.68748	2.3
128.06223	7.8
129.06996	21.7
130.07785	3.0
131.03273	1.8
131.08566	43.4
133.06435	3.1
133.10121	27.6
135.08078	11.1
135.11670	14.8
137.09599	6.1
139.11140	2.7
141.06999	8.9
142.07767	4.8
143.08557	25.8
145.06476	4.1
145.10123	31.7
147.08028	6.0
147.11713	16.0
149.09644	12.3
149.13313	4.3
150.09851	2.2
151.11266	4.8
153.09120	3.9
153.12717	2.0
155.08586	14.8
157.10129	25.1
159.08127	4.2
159.11697	27.9
161.09584	7.4
161.13277	9.0
163.11137	6.7
167.08580	6.4
168.09366	2.8
169.10095	17.9
171.11667	17.9
173.09610	6.6
173.13272	17.5
175.11136	3.1
175.14751	2.9
177.12738	3.5
179.14432	2.9
181.10077	7.3
183.11705	10.0
185.09700	2.8
185.13231	9.2
187.11211	5.2
187.14832	6.0
189.11227	9.2
189.12767	3.1
189.16304	2.4
191.10655	2.2
193.10162	2.4
195.11693	11.2
197.13239	6.7
199.11275	4.4
199.14848	8.7
201.12761	2.3
201.16351	2.6
205.16017	2.2
207.11745	4.3
207.13768	2.7
209.13307	4.5
211.14857	6.0
213.12781	2.5
215.14392	3.3
217.15886	4.6
221.13290	4.2
223.14862	4.2
225.16222	4.3
227.12628	14.5
233.13377	2.6
237.16463	3.9
243.17688	2.3
251.16301	2.7
259.20627	3.5
267.15881	4.4
275.20084	5.4
276.20453	4.0
277.21124	2.9
282.17725	2.6
285.22000	4.2
287.20227	2.6
287.23651	2.2
291.19424	4.1
297.18744	2.0
297.21838	4.0
299.20456	2.1
299.23587	9.1
301.21710	1.8
303.23209	2.7
311.19919	2.7
313.21539	4.0
321.22067	3.3
325.21494	4.0
331.22595	2.8
339.23224	3.0
403.24829	2.6
414.31802	2.2
415.29727	3.4
421.25687	10.0
433.31000	18.9
451.32132	13.9
469.33032	6.6
471.32352	1.8
499.34277	4.2
507.34204	5.9
517.35327	36.5
525.35754	47.5
543.36823	54.9
557.38556	21.9
575.39801	47.8
575.49255	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	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97559	4.6
53.03941	14.9
55.05502	32.6
57.03430	9.3
67.05504	69.1
69.07052	28.6
70.72222	14.7
71.08627	39.8
77.63176	4.2
79.05492	78.0
81.03413	7.2
81.07053	79.7
83.04985	16.5
83.08614	16.5
87.04471	6.3
91.05476	68.1
93.07043	100.0
95.04958	18.7
95.08611	52.4
97.06526	13.2
97.10147	7.2
99.08098	30.6
105.07024	56.0
107.04950	19.5
107.08589	38.3
109.10144	17.1
117.07007	12.1
119.08582	35.3
120.75503	4.0
121.10138	28.5
129.07001	12.0
131.08548	7.1
133.10139	30.2
135.11707	30.6
137.09628	5.9
143.08543	8.5
145.10147	12.7
147.11668	29.3
149.13251	5.3
151.11188	24.2
159.11684	7.7
161.09604	5.2
161.13248	22.6
163.11215	12.4
163.85138	5.0
171.11687	25.5
179.14296	93.4
185.13286	5.3
189.12749	13.2
207.13814	15.3
259.20685	4.5
268.50043	3.9
277.21619	77.5
281.17471	58.3
295.22745	5.2
299.07770	3.8
351.25198	33.1
356.46088	3.6
360.17398	4.2
492.47348	4.9
557.38287	78.2
575.41162	8.8
575.49670	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	575.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01868	10.4
55.05507	46.4
55.91917	1.9
57.03429	13.2
57.07065	3.3
59.04984	5.2
64.19086	2.4
65.03948	4.8
67.05500	100.0
69.03410	7.4
69.07063	32.3
71.04992	16.6
79.05485	80.6
81.03404	20.1
81.07050	78.8
81.07539	4.2
83.04977	14.4
83.08604	27.5
85.02892	6.0
85.06519	9.6
86.41877	1.9
91.05471	73.6
93.07035	72.1
95.04966	18.9
95.08598	71.3
97.06509	11.5
97.10155	26.4
99.08081	8.2
103.05466	3.4
105.06322	3.6
105.07022	62.5
107.04958	11.7
107.08591	38.2
107.35612	2.8
109.06488	11.0
109.10144	30.2
111.08051	7.2
114.24945	2.1
115.05421	6.7
117.07004	38.1
119.08572	41.7
121.06490	10.4
121.10134	30.1
123.08059	10.7
123.11701	9.0
125.09622	19.5
127.07539	2.4
128.06232	8.7
129.06978	27.7
130.07747	3.6
131.07594	4.3
131.08553	50.2
133.06479	5.5
133.10107	36.3
135.08064	13.6
135.11687	14.9
137.09590	5.2
139.11122	3.1
141.06961	9.7
142.07799	5.9
143.08554	26.3
145.06451	3.9
145.10110	35.9
147.08025	8.4
147.11655	16.9
147.41849	2.7
147.80765	2.1
149.09604	13.3
149.13242	4.6
151.11147	7.8
153.09035	2.8
153.12764	2.1
155.08563	13.7
156.09377	2.3
157.10097	30.7
159.08023	4.8
159.11673	29.5
161.09605	7.5
161.13235	10.3
163.11162	8.1
165.12756	5.0
167.08548	7.3
167.10678	2.8
168.09282	2.4
169.10110	18.8
171.11636	17.0
173.09618	4.4
173.11867	4.3
173.13213	17.4
175.11143	6.7
175.14827	3.6
177.12671	3.5
177.16599	2.5
179.08478	3.2
181.10091	9.0
183.11656	16.0
185.09665	3.1
185.13213	16.4
187.11217	3.0
187.14810	6.9
189.11198	8.0
189.12737	5.6
193.12238	9.6
195.11674	10.8
197.13225	13.1
199.11166	3.7
199.13115	3.1
199.14806	13.2
207.11774	5.2
207.13751	4.0
209.13220	9.7
211.13257	7.7
211.15010	4.5
213.16455	3.4
217.15907	5.0
221.13184	3.5
223.14876	5.9
224.66811	2.1
225.16273	4.2
227.12721	16.0
229.64740	3.7
231.17635	2.6
237.16347	3.5
245.18880	2.5
253.14299	2.4
259.20782	2.4
267.15860	7.8
273.18457	8.1
275.20029	6.5
281.17294	2.2
283.20599	3.2
285.22079	7.3
287.20166	4.5
291.19479	13.2
299.23489	11.3
301.21439	4.3
307.20544	3.3
313.21494	2.9
325.21820	2.6
329.20938	3.0
339.23181	3.8
347.21887	3.0
415.30118	3.7
421.25781	8.4
423.32422	2.7
433.25647	3.1
433.30948	21.4
451.32080	18.6
469.33014	9.4
499.33881	3.4
507.34351	8.1
517.35107	34.0
525.35712	54.3
543.36786	60.8
544.36499	2.7
557.38593	24.3
575.39581	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	575.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01871	17.7
55.05511	48.6
57.03437	18.1
57.07069	5.0
59.05003	2.7
60.80869	1.8
65.03938	7.6
67.05503	100.0
69.03427	5.9
69.07063	39.0
71.01324	3.1
71.04993	14.0
71.08633	4.1
71.51403	3.7
75.53905	1.8
77.03922	1.9
79.05019	2.6
79.05489	83.3
81.03412	17.6
81.07055	95.8
83.04987	16.6
83.08614	28.0
85.02913	5.2
85.06538	10.3
91.04903	4.6
91.05476	81.5
93.07040	83.8
95.04968	27.3
95.08605	63.0
96.08905	3.1
96.82317	2.2
97.02891	4.7
97.06515	23.0
97.10160	21.8
99.08080	5.7
103.05443	3.4
105.06305	3.6
105.07026	71.3
107.04958	21.6
107.07882	3.7
107.08589	50.7
109.06512	17.6
109.10159	28.9
111.04453	5.8
111.08072	8.0
113.05981	5.8
113.09646	3.7
115.05459	5.5
116.06242	2.0
117.07020	34.9
119.08574	50.6
119.09389	4.1
121.06488	11.8
121.10138	31.1
123.08087	11.9
123.11726	6.8
125.09642	17.2
128.06219	6.9
129.06985	24.3
130.07767	3.8
131.08563	48.0
133.06471	4.9
133.10123	42.6
135.08047	12.8
135.11691	23.6
137.05957	3.9
137.09619	5.0
141.06963	9.1
142.07762	7.6
143.08554	23.3
144.09418	2.5
145.06499	3.8
145.10123	40.0
147.08046	9.0
147.11678	21.6
149.09683	10.8
149.13249	6.3
151.11169	8.5
153.07031	2.8
153.09056	2.7
153.12724	4.5
154.07773	2.8
155.08574	15.4
156.09299	2.7
157.10124	23.0
159.08043	6.0
159.11671	21.9
161.09615	9.9
161.13239	12.9
163.11171	17.8
167.08565	4.9
167.10727	3.2
168.09312	2.2
169.10144	21.9
171.08083	2.7
171.11662	19.6
173.09615	9.2
173.11858	3.3
173.13272	14.3
175.11212	6.1
175.14906	3.9
177.12708	5.4
179.08534	4.3
179.14302	10.8
181.10118	9.1
181.12201	3.4
183.11711	13.7
185.09616	3.0
185.13173	13.4
187.11214	7.6
187.14801	8.4
189.09648	2.1
189.11227	12.8
189.12685	4.4
191.10736	3.1
193.10481	2.8
193.12289	7.5
195.11729	8.7
196.12041	2.2
197.13297	9.4
199.14833	9.6
201.12767	2.7
201.16420	2.8
207.11688	2.7
207.13672	2.6
209.11618	3.5
209.13301	7.1
211.13161	4.5
211.14874	5.7
213.16490	3.5
215.14349	3.5
215.83986	2.3
217.15842	4.8
219.13857	2.3
223.14871	4.5
224.25082	2.6
227.12746	16.4
233.13199	2.5
241.19713	2.2
247.47902	2.4
249.16373	2.4
255.17575	2.6
257.19028	4.6
259.20554	5.8
267.15982	7.7
269.22522	2.6
271.20422	2.2
273.18658	10.2
275.20044	30.1
277.18201	2.6
277.21609	4.6
283.15274	11.8
283.20566	4.1
285.22125	7.7
287.20142	2.7
289.17993	2.9
291.19446	12.0
293.21271	3.9
297.22263	3.1
299.20245	3.0
299.23721	7.6
313.21588	2.6
327.23315	2.6
329.21054	2.9
347.22171	3.9
349.23859	6.0
353.24570	2.5
365.23624	2.7
415.29846	6.3
421.25668	2.5
433.31027	20.7
451.32379	10.2
461.29590	2.9
469.32990	7.1
477.28403	4.5
507.34222	5.5
517.35095	8.4
525.35742	47.7
539.34119	2.8
543.36810	49.3
544.36591	2.8
557.38593	21.1
575.38251	31.0
575.50494	4.2
576.37592	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
53.87112	1.6
55.01873	19.9
55.05510	44.2
57.03430	22.3
57.07076	2.3
59.04976	1.9
61.13428	1.3
65.03936	5.6
67.05502	72.9
69.03423	9.1
69.07068	25.3
69.34850	13.8
71.04989	11.6
73.02908	2.2
78.82001	1.5
79.05492	65.3
81.02934	2.9
81.03416	68.7
81.07052	100.0
83.04976	27.8
83.08618	27.0
85.02901	24.3
85.06546	10.3
91.05478	65.3
93.07040	50.9
95.04961	51.0
95.08598	29.0
97.02870	4.7
97.06526	13.3
97.10158	19.6
99.04454	4.2
99.08077	3.2
100.28471	1.2
103.05437	3.0
105.07031	49.1
107.04955	25.1
107.08588	33.7
109.06514	38.5
109.10152	15.0
111.04428	13.9
111.08063	12.9
113.06002	22.0
115.05458	5.3
117.07009	22.5
119.08578	39.1
121.06483	15.2
121.10125	20.0
123.04442	2.7
123.08065	23.4
123.11710	2.9
124.19059	1.5
125.05996	3.8
125.09618	12.9
127.03860	2.7
127.51740	1.6
128.06247	6.1
129.07014	23.6
131.04910	2.0
131.08566	28.2
133.06502	8.9
133.10110	21.1
134.07228	1.7
135.08066	21.8
135.11685	10.7
137.05956	3.2
137.09621	6.3
139.03926	3.3
141.06999	3.5
142.07790	6.6
143.08572	11.1
145.04915	2.3
145.06523	6.2
145.10112	24.0
145.11172	2.1
147.08025	16.3
147.11687	19.9
149.09601	12.9
149.13281	2.0
151.11205	2.2
153.07074	1.6
153.09061	2.7
153.12778	5.4
155.08594	5.0
157.10123	17.7
159.08058	5.1
159.11711	8.0
161.09616	16.1
161.13324	4.8
163.07646	1.6
163.11172	16.3
165.06956	2.3
165.09145	5.1
165.12750	3.2
167.08647	1.8
169.10149	3.8
171.08076	2.5
171.11717	6.2
173.09663	7.3
173.13289	3.3
175.11188	13.5
177.05545	1.9
177.12772	4.5
181.10229	1.7
181.12323	5.9
183.11691	5.1
185.09752	2.8
185.13268	3.4
187.11176	4.3
189.09485	2.0
189.11250	13.7
189.12735	3.0
191.10696	6.9
193.12228	31.1
195.11711	1.7
197.13391	1.9
199.11237	3.5
199.14836	4.8
201.12807	1.8
203.14206	2.6
205.12250	2.6
209.11728	1.9
209.13472	1.5
211.11324	1.4
211.13260	29.6
211.15024	2.4
215.14326	1.5
217.15929	7.7
219.13803	3.6
223.13258	4.6
227.12698	10.9
227.18007	2.4
233.15343	2.8
245.19096	4.6
249.14833	4.1
255.17447	6.4
267.15887	22.2
273.18488	50.1
275.20087	3.9
283.15384	2.8
285.16864	11.0
291.19513	73.0
297.18494	1.7
309.20667	2.7
311.20178	2.7
313.21616	5.2
315.19507	3.4
329.21219	3.3
331.22638	2.4
332.05380	2.2
333.20758	2.5
347.22116	14.5
365.23254	8.1
389.23441	2.7
429.11688	8.0
447.29013	4.9
459.27539	2.0
465.29919	5.9
483.30978	6.5
501.32312	3.2
529.35748	2.0
539.33826	8.3
540.34827	1.7
557.34753	35.6
575.35852	55.8
594.90228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
53.79589	1.8
54.08412	1.6
55.01870	15.2
55.05510	51.0
57.03437	14.1
57.07071	1.8
59.05013	2.8
65.03945	4.3
67.05502	69.7
69.03425	12.3
69.06686	2.2
69.07063	42.1
71.01329	2.4
71.04973	8.2
71.08621	3.1
71.22029	4.1
79.05021	2.5
79.05489	63.1
81.03416	45.5
81.07051	71.2
83.04980	22.5
83.08617	31.4
85.02908	20.1
85.06544	3.9
87.09386	1.8
91.05478	66.8
93.07037	52.0
95.04965	30.2
95.08605	27.0
97.02893	11.6
97.06530	15.8
97.10173	22.8
99.08089	3.3
105.04504	2.6
105.07030	55.7
107.04958	18.6
107.08588	32.6
109.06516	11.2
109.10160	18.3
111.04504	3.4
111.08092	9.8
115.05494	2.8
117.07015	15.6
119.08571	37.2
121.06503	8.9
121.10138	20.7
123.04463	2.3
123.08053	10.1
123.11721	5.2
125.09621	17.8
128.06227	4.2
129.06966	14.7
129.09177	2.1
131.08563	27.5
133.06499	9.2
133.10117	22.6
135.07993	9.4
135.11679	12.6
137.09592	4.6
141.06979	2.4
142.07779	3.9
143.08566	7.7
145.06490	3.3
145.10129	24.2
147.08023	10.5
147.11702	24.5
149.09596	9.7
149.13281	4.0
153.09090	4.7
155.08565	3.1
157.10185	16.8
159.08012	2.5
159.11707	7.7
161.09637	5.0
161.13260	5.1
163.11169	10.5
165.09091	4.6
165.12758	6.3
167.01750	1.8
169.10129	3.0
169.12285	1.9
171.10327	2.7
171.11702	7.3
173.09653	4.2
173.13251	4.1
175.11171	15.4
177.12773	3.8
179.14261	3.6
183.11681	2.8
185.13277	2.3
187.11212	2.1
189.11180	11.5
193.12250	29.0
205.12135	2.5
209.11723	2.1
211.13303	34.4
213.16621	2.2
219.13821	5.1
223.13243	17.9
227.12720	14.5
233.15311	2.1
245.18947	2.5
247.82977	2.2
249.14761	3.9
255.17502	4.0
257.18991	2.2
259.20624	4.9
267.15961	13.2
273.18454	23.3
275.20099	16.8
283.15372	6.5
285.16992	3.6
291.19522	100.0
292.19714	2.6
315.19672	3.0
331.22781	2.1
347.22180	4.7
349.23874	2.8
365.23203	8.1
447.28775	2.4
463.26706	3.0
477.28622	4.5
483.30969	4.3
539.33588	3.7
557.34680	32.5
573.28510	2.2
575.35754	91.3
575.49640	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	575.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15989	0.8
53.03931	2.9
54.75643	0.7
55.01860	1.3
55.05500	1.9
56.84036	0.7
61.56691	0.9
65.03915	1.0
67.05488	1.9
69.03434	5.9
69.07069	1.9
73.50197	0.8
79.05492	12.0
81.03427	4.7
81.07037	3.0
83.04964	1.7
85.02898	3.1
85.06520	1.1
86.06047	1.1
89.03896	0.9
91.05479	21.5
93.07061	3.9
95.04940	4.6
95.08603	3.7
97.02852	1.7
97.06528	1.5
98.21478	1.7
99.04455	1.0
103.05473	5.7
105.03349	0.9
105.04533	1.0
105.07036	7.9
107.04961	1.8
107.08582	3.7
107.80639	0.7
109.06490	1.5
109.10148	2.1
111.04414	1.0
111.08060	0.8
117.06992	1.3
119.04942	26.4
119.08572	4.7
121.06454	4.1
121.10123	3.0
123.08060	1.4
125.09634	1.4
127.03917	1.0
129.07048	1.0
131.04886	1.5
131.08563	2.2
133.06487	74.6
133.10126	2.8
134.06819	1.2
135.04420	0.9
135.08057	2.1
135.11703	0.9
136.91141	0.8
137.05972	2.2
142.08667	1.6
143.08496	1.0
145.10095	1.7
147.04398	23.4
147.08044	2.3
147.11693	2.5
149.02202	0.8
149.09549	2.2
151.03886	1.1
157.03954	2.4
159.08003	1.5
159.11658	1.5
160.08873	1.0
161.09610	1.0
163.07521	1.0
163.11165	3.2
164.04665	0.8
165.09245	0.9
167.06966	1.0
173.13312	2.1
175.03909	40.1
175.11076	0.8
177.05435	2.3
179.06989	3.1
187.11177	1.1
189.12746	21.8
189.14461	1.4
191.14308	12.3
193.04959	1.9
207.06523	100.0
207.13808	6.7
208.06870	1.8
213.12813	0.9
229.70099	0.9
241.12186	1.0
281.09933	1.4
351.10599	3.3
367.19077	2.0
369.11734	2.6
395.18304	2.3
399.10660	2.0
575.20325	2.3
575.28516	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	575.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
53.73127	0.5
55.05509	1.6
65.03934	1.6
65.11825	0.5
65.55638	0.4
67.05470	1.1
69.03429	4.0
69.07040	1.2
71.04950	0.5
71.51505	0.8
73.37396	0.6
77.03915	1.4
79.05491	9.7
81.03423	2.7
81.07058	2.7
83.04983	3.6
83.06435	0.5
85.02889	1.3
86.39760	0.5
89.03917	1.4
91.05479	20.7
93.07040	2.1
95.04979	3.6
95.08605	1.3
97.02876	1.1
103.05482	3.6
105.04501	1.2
105.07041	6.8
107.04916	0.7
107.08598	2.9
108.45689	0.6
109.02869	0.9
109.06490	0.8
109.10159	0.7
114.94647	0.6
115.05437	1.0
117.03351	0.5
117.07043	0.9
118.04115	0.5
119.04940	29.2
119.08566	3.3
121.02889	0.6
121.06530	3.6
121.10123	1.8
123.08121	0.9
127.03880	0.6
131.08563	1.4
132.02086	1.1
133.06487	56.7
133.10112	1.8
134.06789	0.5
135.04382	0.8
135.08031	2.4
137.05978	1.5
143.08487	0.7
145.02876	0.9
147.04405	25.8
147.08049	2.2
147.11710	1.4
149.02350	1.2
149.09607	1.5
149.13173	0.6
156.09402	0.7
157.03975	2.3
159.08067	1.1
159.11626	0.6
161.09560	1.2
163.11162	2.4
164.04718	0.7
171.11632	1.2
173.13210	1.0
174.10477	0.9
175.03902	45.5
177.05493	2.5
179.07037	2.4
181.04947	0.9
189.12737	18.6
191.14288	9.0
192.04156	0.7
207.06523	100.0
207.13766	6.9
208.06871	1.4
213.12830	0.7
249.13039	0.6
279.61441	0.7
280.09717	2.1
281.10004	3.7
351.10864	1.6
367.19116	1.2
369.11490	2.5
395.18579	1.4
442.77005	0.7
443.15201	0.9
531.27789	1.0
575.20123	1.0
575.28845	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	575.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05494	3.4
55.96349	1.2
56.85023	1.0
57.03428	1.4
59.05001	2.2
65.03905	1.2
67.05522	2.3
68.96062	1.1
69.03419	4.8
69.80318	2.6
69.80738	5.1
70.06569	1.7
71.04996	2.2
75.89342	1.0
79.05474	4.3
79.44352	1.1
79.82014	1.2
81.03390	5.2
81.07046	4.2
83.04971	5.0
85.02901	3.7
86.26888	1.0
91.05468	20.9
93.07040	5.6
95.04963	2.2
95.08578	6.4
97.02890	1.8
97.06521	1.5
99.04426	1.3
103.05447	1.8
105.07030	7.3
107.08593	6.7
109.02868	2.5
109.06516	3.2
109.10153	3.5
111.08089	1.5
119.04942	27.3
119.08572	9.3
119.81194	1.1
121.06490	2.1
121.10133	5.3
121.46224	1.2
123.04426	1.4
123.08087	5.5
124.14537	1.2
127.03883	2.0
129.06995	2.7
131.04921	1.8
131.08557	1.9
133.06442	2.5
133.10120	6.0
135.08043	1.7
135.11711	2.6
137.05977	2.6
139.03889	1.4
143.08546	1.3
145.06511	1.5
145.10124	3.3
147.04402	22.1
147.08023	2.8
147.11650	9.7
149.09615	7.0
151.07509	1.6
155.08522	1.2
156.09325	2.4
157.03931	2.4
157.06525	1.9
157.10095	1.6
159.08005	2.2
159.11635	1.6
161.09657	2.6
161.13240	4.7
163.03906	2.8
163.11153	1.9
167.07028	3.3
171.11682	3.2
174.06731	1.2
174.10431	6.4
175.03893	44.1
177.05484	2.5
179.07069	3.2
181.04912	3.8
189.12746	17.7
198.70358	1.2
205.05019	1.7
207.06505	100.0
207.13806	13.4
208.06967	2.5
208.08842	2.9
210.06598	1.6
219.06413	2.1
223.11121	1.7
230.05721	2.1
235.07635	2.1
236.08295	2.8
237.09029	1.4
241.08560	1.9
245.08080	12.7
247.05972	3.4
249.09222	1.5
250.10008	1.3
251.10695	4.2
253.08633	1.5
255.10265	1.3
263.07050	7.4
263.10855	1.9
264.07779	4.0
269.08328	2.0
278.09305	1.6
279.10172	7.7
281.07990	3.6
285.14838	3.5
291.10205	1.5
296.10385	4.3
299.12662	1.3
306.08505	1.6
307.09891	1.3
307.13239	1.8
311.12772	32.4
312.13327	1.4
324.09854	2.3
335.16260	1.9
337.14307	1.4
339.12286	11.3
351.10809	3.5
351.19519	1.5
353.13565	2.7
353.17474	3.3
363.15848	3.1
367.19064	6.2
369.11923	3.6
377.17685	2.5
395.18536	18.5
489.19391	1.2
557.23383	2.9
575.17572	4.6
575.26123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.2
57.07065	36.7
64.47962	6.9
67.05509	25.7
69.07072	10.0
71.08624	20.9
71.49496	17.0
79.05492	26.9
81.07043	38.0
83.08643	11.3
85.10191	16.4
91.05477	20.2
93.07040	30.3
95.08609	45.9
97.10114	8.1
107.08579	12.4
109.10141	10.9
119.08572	8.8
121.10168	17.5
135.11697	11.2
149.13243	17.2
161.13258	10.5
173.78281	7.9
199.14262	7.7
234.89848	15.4
239.23666	13.7
261.22134	27.0
266.89160	9.4
276.90991	26.1
277.91147	16.8
278.91171	14.0
291.91391	9.2
293.75797	7.6
313.27420	16.2
317.24704	20.9
323.52853	7.8
333.92941	14.2
467.70135	8.4
481.67957	7.8
488.84460	8.5
566.90961	8.5
567.91248	80.6
568.91150	15.7
573.48688	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	573.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01860	10.2
55.05503	32.0
57.03424	13.1
57.07070	8.8
58.88557	3.6
59.04985	5.6
65.03919	4.4
67.05186	5.0
67.05502	62.3
69.07067	35.1
69.16579	42.6
71.04967	14.1
71.08629	3.8
73.02898	16.0
73.03265	3.3
73.68011	3.4
76.90910	3.6
79.05076	5.7
79.05489	65.2
81.03398	7.4
81.07053	71.3
83.04962	12.6
83.08610	24.8
86.20658	3.5
91.05485	59.8
93.07037	71.3
95.04977	19.8
95.08601	76.0
97.06523	8.7
97.10150	9.9
99.08047	7.0
100.59586	3.4
105.07020	74.5
107.04948	13.9
107.08585	62.7
109.06510	11.3
109.10151	51.5
111.08062	5.0
117.07012	17.4
119.08585	81.4
121.10137	45.9
123.08026	7.7
123.11743	17.3
125.09615	8.7
127.11190	22.3
128.06190	3.8
129.06993	12.7
131.08582	30.5
133.10107	67.4
135.08009	3.8
135.11685	56.1
141.06960	5.0
143.08533	11.7
144.09334	5.0
145.10118	60.6
147.11673	100.0
149.09627	7.2
149.13271	23.8
157.10126	15.4
159.11690	55.9
161.09630	5.1
161.13246	20.8
163.11169	7.5
163.14761	8.9
165.12827	3.9
169.10086	6.8
171.11635	17.3
173.13313	28.9
175.14810	9.1
177.16385	4.9
183.11681	5.1
185.13304	7.5
187.14819	47.9
189.12740	6.1
189.16373	72.9
191.17947	53.1
195.11890	3.9
197.13266	5.1
201.16374	22.4
203.17894	18.4
207.13734	11.2
207.17424	77.9
213.16341	13.0
215.17917	44.2
217.19543	8.5
227.17766	4.6
229.19592	3.7
233.19040	34.5
243.26579	4.0
247.20490	5.0
257.18814	4.7
261.22037	5.1
271.85120	4.2
275.20068	27.9
281.17432	15.2
313.27350	5.0
349.23584	10.3
405.35123	8.4
423.36087	37.6
441.37137	5.8
475.30377	13.3
555.37036	12.3
573.37988	17.7
573.48907	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	573.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
53.41961	4.7
55.01855	8.0
55.05498	32.0
57.03424	15.2
57.07076	26.6
60.20715	4.3
66.25761	4.6
67.05501	62.6
69.03408	11.3
69.07060	42.1
69.42904	4.1
71.04985	17.0
71.08623	15.5
71.52856	9.8
73.02905	21.8
79.05489	52.0
81.03405	14.5
81.07043	74.0
83.04980	11.0
83.08599	19.6
85.02901	6.0
88.38049	4.6
91.05477	63.2
93.07043	84.7
95.04961	17.7
95.08605	90.2
97.02882	6.8
97.06522	16.0
97.10181	20.2
98.98504	8.0
99.08092	11.4
105.07019	80.4
107.04958	19.3
107.08588	76.6
109.06488	7.3
109.10152	74.4
111.08118	6.8
115.03861	5.0
117.07015	16.6
119.08575	90.0
121.06507	7.7
121.10124	59.1
123.11704	20.4
125.09604	10.5
127.11192	32.4
129.07022	14.8
131.08557	33.6
133.10123	78.9
135.11688	66.5
137.09579	7.8
137.13272	10.3
143.08537	14.5
143.10654	6.5
145.10126	71.5
147.11691	100.0
149.09630	6.6
149.13239	17.7
151.11185	7.9
156.09309	5.4
157.10100	13.1
159.11679	51.5
161.09616	5.7
161.13283	38.9
163.11186	8.5
163.14828	18.0
165.12637	4.8
169.10158	7.9
171.11736	19.7
173.09563	4.9
173.13245	37.6
175.14841	15.5
177.12788	9.1
179.14235	5.8
185.13239	12.6
187.11180	4.9
187.14819	50.5
189.16386	68.8
191.17917	53.6
196.93843	5.0
199.14796	8.5
201.16405	32.4
203.17957	47.1
207.17406	73.4
213.16341	14.0
215.17903	45.4
217.15968	6.1
217.19432	10.0
221.19057	6.9
222.16064	5.0
227.17873	8.2
233.19023	41.9
241.19609	6.0
253.19553	5.1
255.20924	8.3
257.19028	7.0
261.22104	5.7
275.20154	7.9
293.21127	20.8
313.27380	22.5
405.35004	11.4
423.36166	61.8
441.37387	8.6
447.09225	5.3
537.39160	6.1
555.39648	15.5
573.37476	30.3
573.48651	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	573.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.4
55.01870	44.6
55.05076	2.1
55.05510	39.1
57.03429	9.7
57.07067	5.5
65.03931	5.3
67.05502	90.9
69.03429	2.7
69.07064	35.0
71.04978	5.3
71.08621	5.4
77.03922	3.3
79.05490	100.0
81.03416	9.7
81.07052	84.3
81.07539	3.8
82.07394	2.9
83.04970	16.9
83.08601	14.4
85.02906	3.1
85.06549	3.5
91.05475	91.0
93.07040	93.6
95.04967	30.4
95.08603	51.5
97.06525	60.8
97.10155	9.9
98.21510	4.7
99.08080	4.3
103.05444	1.9
105.07025	79.7
106.07372	1.8
107.04951	29.4
107.07870	3.8
107.08583	37.8
109.06499	12.8
109.10151	16.1
111.08108	4.7
111.22607	1.6
115.05475	4.6
117.07016	26.4
119.08572	50.4
121.06525	9.6
121.10146	18.1
123.08067	11.0
123.11713	4.5
125.09625	6.3
128.06212	6.5
129.07016	22.2
129.36459	1.8
130.07826	2.5
131.08560	21.1
133.06477	5.8
133.10135	31.7
135.08086	8.3
135.11671	13.2
137.09625	6.0
141.06967	2.9
143.08562	11.8
145.10127	28.5
147.08052	5.4
147.11679	50.7
149.09625	33.5
149.13223	4.4
151.11147	6.9
153.89755	1.6
154.94034	1.6
155.08618	3.2
157.10144	5.8
159.11699	13.7
161.09573	9.4
161.13271	16.8
163.11171	19.8
165.09064	2.6
167.08658	2.0
167.10741	1.7
168.57127	1.8
169.10065	5.1
171.10274	2.7
171.11656	30.4
173.09581	1.6
173.12004	1.9
173.13193	9.1
175.11166	4.1
177.12743	3.6
179.14345	5.4
180.77261	1.7
183.11691	3.9
187.11128	3.1
187.14868	2.4
189.11293	2.1
189.12766	9.9
197.13287	1.9
199.14742	2.3
199.91815	1.5
201.12714	1.9
201.16397	3.1
205.12204	2.8
207.13770	28.5
215.18033	2.8
227.12743	5.6
229.19505	5.3
239.18092	4.9
247.20514	5.0
250.57706	1.8
257.18994	14.3
273.18484	2.5
275.20044	92.1
276.20453	1.9
281.17465	53.8
291.19574	3.9
293.21155	24.6
313.27344	4.4
349.23743	38.8
371.32684	1.9
377.23233	9.0
459.31006	6.9
475.30273	3.6
527.37830	2.0
537.35565	2.2
555.36743	37.8
573.38062	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01871	52.8
55.05507	24.5
57.03440	6.6
57.07071	9.9
65.03935	3.9
65.67224	1.0
67.05502	58.1
68.99770	1.0
69.07068	32.8
69.65168	7.1
71.04976	3.7
71.08617	5.3
76.66288	1.1
77.03901	2.0
79.05488	64.2
81.03412	12.1
81.07050	62.8
82.63658	1.1
83.04976	13.9
83.08611	10.9
85.06551	3.3
85.10188	1.9
91.05474	65.8
91.67168	1.1
93.07039	56.8
95.01335	6.4
95.04960	24.2
95.08606	38.7
97.02894	2.0
97.06525	90.1
97.10162	6.3
98.98431	4.3
99.08071	1.6
103.05465	3.2
105.04588	1.3
105.07026	63.6
107.04957	24.9
107.08588	24.8
109.06503	8.9
109.10151	11.4
111.08058	3.3
113.05993	1.2
113.09644	1.6
115.05468	1.7
117.07012	14.7
119.04833	1.1
119.08577	40.3
121.06485	5.0
121.10123	9.7
123.04417	2.2
123.08056	7.1
123.11626	2.4
125.09602	3.5
128.06236	1.7
129.07011	10.3
131.08559	18.6
133.06461	2.8
133.10123	27.7
135.08011	3.8
135.11711	9.5
136.94499	1.2
137.09579	4.6
139.07455	2.9
141.06966	1.8
143.08545	7.9
145.06432	2.6
145.10120	15.7
147.08070	3.3
147.11679	30.8
149.09625	17.2
149.13222	4.1
151.11188	3.4
155.01033	4.6
155.08539	2.2
157.10130	3.6
159.08022	1.3
159.11670	11.6
161.09590	2.2
161.13252	12.2
163.11162	9.1
165.09055	3.0
169.10118	3.5
171.11693	16.2
173.13251	4.4
175.11249	1.7
175.14838	2.1
177.12717	3.8
179.14273	14.6
183.11702	1.8
187.11172	4.1
187.14783	2.8
189.12732	8.3
197.13298	2.0
199.14786	1.6
201.16281	1.6
207.13789	12.1
215.17838	2.1
229.19421	2.1
233.15407	1.5
233.19037	1.7
239.17870	3.4
241.14273	1.4
244.78885	1.2
247.20569	4.8
257.18964	8.4
261.22232	1.4
273.18524	1.5
275.20050	100.0
276.20346	2.6
279.15976	3.5
281.17462	39.2
282.17599	1.5
289.60745	1.2
291.19464	4.3
293.21155	11.5
297.88556	1.5
313.27344	16.7
317.24606	1.7
338.19135	1.3
349.23679	25.1
350.23822	1.4
475.30487	4.0
537.35303	1.9
549.91168	1.4
555.36768	50.7
573.37549	4.8
573.48486	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	573.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01865	9.6
55.05508	47.8
57.03435	12.4
57.07075	3.8
59.04986	4.1
65.03927	4.0
67.05502	100.0
69.03434	4.4
69.07069	32.4
69.18720	24.7
71.04987	8.4
71.08624	3.9
73.02898	2.3
73.06552	2.5
76.69321	2.5
79.05021	2.3
79.05490	73.4
81.03426	11.3
81.07054	91.9
82.15791	1.8
83.04985	12.4
83.08616	24.6
85.06547	7.4
90.08365	2.2
91.04906	3.6
91.05477	66.4
91.35439	1.9
93.07043	67.1
95.04951	18.7
95.08604	49.1
97.06541	9.6
97.10161	15.5
99.08101	3.0
103.05440	2.4
105.04542	2.4
105.07026	56.6
105.07700	3.7
107.04959	13.9
107.08582	37.4
109.06519	15.4
109.10150	44.4
111.08105	6.2
115.05468	5.5
117.07014	35.8
119.04982	2.4
119.08573	48.3
121.06517	5.4
121.10146	22.4
123.08062	8.6
123.11707	4.5
125.09635	15.7
128.06232	9.7
129.07011	26.6
131.04932	2.2
131.08562	41.2
133.06514	6.8
133.10124	28.8
135.08066	7.3
135.11693	12.5
137.09604	6.2
139.11147	2.5
141.06970	9.7
142.07744	7.0
143.08559	31.6
145.06491	7.5
145.10118	38.1
147.08037	4.3
147.11688	31.1
149.09595	6.7
149.13234	8.2
151.11171	4.1
153.06932	3.7
153.09044	2.4
154.07776	3.1
155.08531	15.1
156.09390	2.4
157.10133	22.4
159.08031	7.7
159.11696	23.4
161.09651	6.7
161.13283	12.0
163.07474	2.3
163.11215	5.6
165.12737	3.0
167.08540	2.9
169.10092	13.4
171.11710	24.9
173.09602	3.2
173.11743	6.9
173.13277	15.1
175.11269	2.4
175.14842	4.8
177.12700	2.3
179.08562	5.5
179.14241	3.8
180.09370	2.4
181.10106	7.2
183.11690	13.6
184.20422	2.1
185.09590	2.5
185.13229	9.3
187.11159	3.6
187.14844	8.1
189.11215	7.1
189.12784	7.0
189.16272	2.7
193.10078	2.5
195.11720	9.2
197.13278	10.6
199.11171	4.3
199.14813	8.6
201.12764	2.6
201.16331	3.0
203.14249	4.0
207.11824	3.7
207.13834	6.3
207.17540	2.2
209.13312	7.0
211.14781	6.8
213.12758	2.9
213.16475	4.6
215.14287	2.0
215.18042	3.2
221.13338	3.1
223.13167	4.5
223.15024	3.1
225.16454	2.3
227.12729	11.8
227.17903	2.3
229.14301	18.2
235.14815	2.8
241.19482	4.4
257.19058	6.9
259.20557	6.9
275.20050	24.6
281.17487	9.8
293.21188	2.5
295.20538	3.5
297.17184	3.2
297.22064	6.4
299.23700	4.5
309.22000	10.3
311.23734	6.1
313.21701	5.3
315.23206	3.7
327.23193	28.6
329.24731	6.3
333.24176	3.4
345.24335	3.9
349.23795	7.2
353.24762	2.5
401.26785	8.4
419.27841	3.9
435.32391	3.1
445.31165	10.3
455.64154	2.5
463.32458	11.3
475.30301	13.2
481.33112	10.9
496.64450	2.4
499.33926	5.1
527.37042	6.0
537.35669	18.2
555.36853	83.4
556.36853	5.9
573.37988	52.6
573.47321	3.3
574.37573	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	573.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33567	1.4
51.02364	2.0
53.03943	8.6
55.01633	2.1
55.01873	24.6
55.05509	38.9
57.03425	6.5
57.07062	4.8
57.20833	1.6
62.98639	1.6
65.03931	6.0
67.05500	82.6
69.03423	3.5
69.07062	29.7
69.44059	13.7
71.04980	7.1
71.08602	1.9
73.06554	2.4
73.84240	1.6
79.05010	3.1
79.05489	97.8
81.03416	13.2
81.07051	100.0
83.04981	17.8
83.08618	15.5
85.06535	7.3
91.05474	80.8
92.05824	1.7
93.07038	77.9
95.04958	31.5
95.07986	2.6
95.08598	46.4
97.06520	29.5
97.10144	8.3
98.20856	3.1
98.98510	2.1
99.08075	1.7
101.05961	1.8
103.05473	3.3
105.04504	4.7
105.07026	71.2
107.04951	17.6
107.08582	40.5
109.06516	16.3
109.10140	20.5
110.79663	1.5
111.08069	5.2
115.05467	2.8
116.29994	1.5
116.96290	1.4
117.07004	22.8
119.08573	49.6
121.06509	9.8
121.10131	17.5
123.08047	8.8
123.11683	3.7
125.09631	4.3
127.07536	2.0
128.06223	5.8
129.07002	22.8
130.07849	2.8
131.08577	19.3
133.06488	3.8
133.10118	35.2
135.08012	8.9
135.11678	8.8
137.09608	4.2
139.07504	1.9
141.06927	3.9
143.08545	16.0
144.09247	1.8
145.06506	3.2
145.10136	24.3
147.08072	6.9
147.10524	2.7
147.11674	41.8
149.09610	18.2
149.13249	6.8
151.11163	5.5
153.07042	1.7
155.08514	4.2
157.10136	5.7
159.08031	1.8
159.11667	14.2
161.09608	6.7
161.13203	13.1
163.11171	9.8
165.12711	3.4
167.08533	1.8
169.10129	5.7
171.11668	26.4
171.13017	2.8
173.09624	1.9
173.13280	6.0
175.11256	2.6
177.12790	4.8
179.14331	1.7
181.10112	1.9
183.11676	3.5
185.13187	3.6
187.11140	3.7
187.14778	3.2
189.12688	10.4
195.13786	3.5
197.13156	2.7
199.14769	3.0
201.16212	2.5
207.13786	23.5
215.14262	1.9
215.17812	2.3
227.12625	2.7
239.17926	5.5
247.20523	3.7
253.14349	2.7
257.18930	11.8
267.15744	2.4
269.17612	2.0
273.18542	3.9
275.20053	61.6
276.20490	1.8
279.15985	2.3
281.17435	39.5
291.19525	4.5
291.89233	1.6
293.20996	7.1
331.22598	3.4
349.23727	24.3
350.09625	1.6
377.23303	2.1
426.09042	2.0
463.31390	2.7
475.30698	20.9
487.98309	1.7
488.06479	2.0
555.19061	1.9
555.36871	27.4
573.38300	23.0
573.47339	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	573.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01874	15.4
55.05510	32.6
57.03429	13.6
57.07060	3.2
65.03929	5.7
67.05501	86.9
69.03426	4.6
69.07068	23.5
69.58279	9.5
71.04986	4.3
73.06500	1.7
79.05489	100.0
81.03417	29.2
81.07050	86.3
83.04968	18.9
83.08616	17.2
85.06544	6.4
91.05476	89.4
93.07040	71.0
93.07639	2.0
95.04965	36.0
95.08596	44.8
97.02879	2.8
97.06528	18.1
97.10153	10.8
98.20750	2.8
99.08052	1.7
103.05463	3.1
105.07028	66.4
107.04953	31.9
107.08587	38.1
108.05737	1.7
109.06512	19.2
109.10159	20.3
111.04446	5.9
111.08079	5.2
113.05985	2.5
115.05492	3.2
117.07017	21.9
119.04948	2.7
119.08573	45.6
121.06486	12.5
121.10136	17.1
122.07266	3.0
123.04405	2.2
123.08051	10.6
123.11665	10.3
125.09625	8.5
128.06236	3.9
129.06987	17.0
130.07816	1.5
131.08556	26.8
133.06520	7.4
133.10114	27.9
135.08052	13.1
135.11670	8.7
137.09625	5.5
139.11169	2.3
141.06956	3.1
141.09128	1.7
142.07767	2.6
143.08545	14.6
145.06462	5.2
145.10107	25.6
147.08043	9.9
147.11681	35.5
149.09605	16.5
149.13232	4.9
151.07489	1.6
151.11160	3.9
155.08527	4.6
157.06462	1.9
157.10107	9.1
159.08040	4.3
159.11673	9.9
161.09619	10.6
161.13219	11.6
163.07518	1.6
163.11163	11.8
165.12766	3.9
169.10118	5.5
171.11694	24.9
173.09592	2.5
173.11876	2.0
173.13193	7.0
175.11151	6.3
175.14838	1.6
177.12749	4.7
179.14267	2.4
181.12303	2.0
183.11766	4.7
185.13295	3.8
187.11182	4.3
187.14809	3.3
189.11276	2.8
189.12756	9.3
191.10739	1.5
193.12265	5.7
195.11745	1.7
197.13298	3.2
201.12900	2.0
205.12209	2.0
207.13791	18.7
209.09564	1.4
209.13451	1.5
213.16418	1.6
217.15959	2.2
227.12782	14.5
229.15935	1.6
229.19513	3.6
233.15320	5.6
239.17969	2.8
243.17326	1.4
247.20525	3.5
249.14854	2.4
257.18988	8.6
267.15909	3.3
271.16980	2.8
273.18359	8.0
275.20056	64.7
281.17484	25.0
281.20428	2.6
289.17987	5.3
290.18948	2.3
291.19565	6.3
293.21133	5.0
349.23746	21.4
451.26691	2.5
475.30167	2.5
499.30426	3.2
527.29932	7.4
537.34503	1.7
555.37158	24.0
573.36932	16.5
573.47443	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	573.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.6
53.03942	7.3
55.01871	21.1
55.05509	33.0
55.48377	1.5
57.03443	7.6
57.07056	3.0
60.74707	1.4
65.03926	4.6
67.05502	77.6
69.03420	4.1
69.07063	27.7
70.18536	2.8
70.18917	2.5
71.04975	5.4
73.06537	1.5
77.03931	1.8
79.05488	100.0
81.03414	10.6
81.07052	94.9
83.04982	16.9
83.08618	14.8
85.06544	5.2
85.65665	1.5
90.27020	1.5
91.05479	80.6
93.07041	78.0
95.04965	23.7
95.08603	44.5
97.06525	25.5
97.10148	10.9
99.08062	2.1
103.05467	2.6
105.07027	72.1
105.89888	1.4
107.04948	22.8
107.08581	39.0
109.06520	15.1
109.10162	18.7
111.08075	7.0
113.09630	2.0
115.05463	3.1
117.07018	19.2
119.08567	50.5
119.09383	3.2
121.01823	1.5
121.06504	9.1
121.10144	17.6
123.08062	9.4
123.11703	4.3
125.09620	6.8
128.06189	4.2
129.07005	16.4
130.07784	1.9
131.08554	18.8
133.06505	2.0
133.10124	30.5
135.08046	8.4
135.11676	10.5
137.09619	5.7
139.11159	2.6
141.06964	4.1
141.09091	1.6
143.08563	10.1
145.10120	23.4
147.08046	4.1
147.11674	38.2
149.09608	18.3
149.13255	3.3
151.11197	2.8
154.30217	1.4
155.08534	3.5
157.10129	4.4
159.08035	2.4
159.11703	11.3
161.09627	4.7
161.13264	13.8
163.11179	10.8
165.12709	1.8
169.10161	2.6
171.11684	25.4
172.11980	1.7
173.13258	6.0
175.11165	4.0
177.12717	3.1
179.14359	1.8
181.10112	2.0
183.11737	4.0
185.13188	2.1
187.14821	1.7
189.11240	3.6
189.12746	12.2
191.14415	1.4
193.12219	2.5
197.13242	2.9
199.14891	1.8
205.12190	2.9
207.13792	21.3
216.55772	1.6
227.12749	14.9
229.19460	3.7
233.15364	2.2
233.19127	2.0
239.18066	3.2
247.20560	3.2
253.14432	1.8
257.18997	12.3
267.15860	2.2
273.18542	2.1
275.20053	82.7
281.17471	40.3
281.19855	0.9
291.19559	3.1
293.21106	6.5
344.60837	1.8
349.23691	28.7
377.23178	3.3
379.98581	1.5
459.31052	2.1
475.30542	8.3
555.36786	33.8
573.38104	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
53.81284	1.5
55.01872	2.2
55.05502	4.3
57.03435	1.8
59.04998	25.5
67.05499	14.3
69.03430	6.8
69.07059	8.0
69.33277	1.8
69.33619	16.7
69.39187	1.8
71.04978	3.4
79.05494	10.0
81.03402	7.9
81.07053	11.4
83.08615	3.4
85.02904	2.8
91.05481	7.4
93.07059	12.8
95.04957	7.6
95.08601	37.5
97.06545	10.3
97.10136	2.7
105.07059	12.1
107.04950	4.2
107.08578	10.7
109.02869	23.3
109.06498	4.5
109.10159	47.5
117.06994	2.3
119.08580	20.9
121.10149	38.2
123.08067	44.3
123.11682	3.1
125.05925	2.5
129.06944	2.7
133.10107	8.9
135.11681	19.9
137.09612	47.6
139.11179	10.6
141.09073	15.2
147.08035	6.6
149.13239	6.2
159.07979	1.7
160.05193	3.4
161.06023	3.1
163.15160	1.8
165.09129	31.4
175.14822	8.4
180.04680	1.8
183.10170	100.0
189.16466	1.9
193.15894	7.0
201.11208	9.1
289.14410	2.1
327.14386	5.2
345.15506	13.2
555.20587	2.1
555.29059	3.3
573.30603	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	571.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
51.14409	0.5
53.03944	5.1
54.38477	0.5
55.01867	6.7
55.05507	26.6
57.03428	3.3
57.07061	1.9
59.04996	0.9
65.03941	3.1
67.05500	41.0
67.17591	0.5
69.03430	7.0
69.07063	23.5
71.04976	2.4
71.08611	0.7
71.51132	0.6
73.06551	0.8
75.04480	0.5
77.03947	1.0
79.05487	48.9
81.03410	7.2
81.07049	38.4
83.04977	8.8
83.08611	7.4
85.06530	2.4
91.05473	39.0
93.07037	35.8
95.04965	16.0
95.08598	21.3
95.09097	0.4
97.02892	6.1
97.06521	6.2
97.10159	9.0
99.08085	0.8
103.05456	1.7
104.84698	0.6
105.03409	0.8
105.04508	1.1
105.07024	28.5
107.04942	12.5
107.07881	1.1
107.08586	17.5
109.02898	0.6
109.06519	5.7
109.10142	8.4
111.04404	1.1
111.08057	2.5
111.11707	0.7
113.06018	0.9
115.05449	1.8
116.06224	0.7
117.06231	1.0
117.07008	11.9
119.04945	1.1
119.08572	20.8
121.06509	4.8
121.10123	6.5
123.04395	1.5
123.08070	6.2
123.11741	0.8
125.09641	5.5
128.06221	2.7
129.06976	9.6
130.07806	0.6
131.04939	1.1
131.08557	10.1
133.06490	4.6
133.10135	9.2
134.07289	0.9
135.08067	3.3
135.11671	3.9
137.09608	2.3
139.11198	0.7
139.31122	0.7
141.06972	2.2
142.07788	0.8
143.08554	6.8
145.06505	1.7
145.10115	8.8
146.07182	0.6
147.04411	0.8
147.08041	6.5
147.11678	14.6
148.78951	0.6
149.05960	0.7
149.09615	1.8
149.13239	2.3
151.11162	0.6
153.09151	0.9
155.08519	1.7
157.10114	2.4
159.08055	2.0
159.11693	4.0
161.09610	5.1
161.13255	5.5
162.10411	0.7
163.11195	2.1
165.09164	1.6
169.10152	2.3
171.10228	0.5
171.11659	12.2
173.09654	1.3
173.13222	1.3
175.11188	3.8
175.14854	0.9
177.12769	2.6
179.10751	0.6
179.14421	0.7
181.04869	1.0
181.10124	0.9
183.08287	0.7
183.11736	1.6
185.09630	1.1
185.13226	1.4
187.11197	1.2
187.14822	1.1
189.11209	3.0
189.12770	4.7
193.05014	0.6
195.11786	0.8
195.13821	1.2
197.13257	0.7
199.11185	0.8
199.14870	1.6
205.12247	1.9
207.11858	1.2
207.13765	10.1
209.13205	0.6
215.14391	0.6
223.13249	11.0
225.14857	1.5
227.12709	1.4
227.17924	1.0
237.16437	0.7
245.08075	0.9
245.19011	1.8
249.14847	3.3
255.17342	1.0
257.26697	1.0
261.18536	0.6
263.16321	1.1
273.18481	17.3
275.20087	2.2
279.15961	2.2
281.17352	2.8
291.19519	70.7
292.19836	1.4
327.23230	1.1
347.22122	2.9
365.23407	1.6
366.97641	0.5
367.02316	0.6
393.22955	0.6
461.30228	0.6
473.28799	0.6
485.21777	0.6
529.31677	1.3
553.35260	3.1
571.36237	100.0
572.36462	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	571.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05513	3.7
57.03427	3.3
57.07061	2.3
58.01858	1.5
59.04998	9.0
61.70947	1.8
63.51482	1.9
65.03947	2.3
67.05502	14.3
69.03429	5.5
69.07072	9.9
69.78432	10.7
70.06586	6.8
71.04998	13.2
77.03929	1.8
79.05495	15.1
81.03407	7.9
81.06594	3.7
81.07056	46.2
83.04968	2.1
85.02902	31.0
91.05466	9.8
93.07037	14.2
95.04964	13.7
95.08604	21.8
97.02876	4.7
97.06536	12.5
97.07055	1.9
97.10172	3.0
99.04437	3.2
102.11329	1.9
103.92724	1.7
105.07019	17.3
106.58656	1.5
107.04930	2.4
107.08589	13.4
109.02876	4.3
109.06512	4.9
109.10141	7.3
119.04923	2.5
119.08546	9.7
121.06516	2.4
121.10141	100.0
123.04416	3.2
123.08079	8.2
123.11705	57.4
125.05981	13.8
125.09658	6.1
127.03911	7.4
133.06496	3.3
133.07526	1.6
133.10107	3.5
135.08061	2.5
135.11708	2.7
137.05983	3.2
137.09605	17.0
139.11169	26.5
143.10692	15.9
143.75850	1.9
145.10144	3.4
147.04378	6.0
147.08044	3.3
147.11687	8.6
149.09615	18.0
151.03860	2.1
151.07558	4.2
161.06087	2.0
161.13297	2.9
163.03929	1.8
165.09151	1.9
167.10669	57.5
175.03923	3.2
177.05559	2.9
183.78369	1.8
185.11737	22.6
189.12767	8.8
207.06537	10.0
207.13786	27.0
225.14835	12.3
283.05975	1.8
311.14856	6.1
329.15927	12.3
347.17065	6.7
351.18057	10.3
359.01544	1.6
365.08524	3.7
369.18964	9.3
535.28430	2.2
553.29712	2.4
571.23145	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	571.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91444	0.9
56.96566	2.4
57.03431	1.4
57.69360	1.0
61.02917	1.8
69.03432	6.5
69.65591	6.9
73.02911	3.1
81.03426	2.8
82.99867	1.5
84.04519	1.5
85.02901	14.3
93.52811	1.0
96.08103	0.9
97.02876	7.0
98.21530	1.3
98.97597	3.7
99.04477	1.7
101.00892	7.9
101.06150	0.9
103.32246	1.0
109.02872	2.6
113.00938	1.5
115.02386	1.0
116.98643	1.7
119.01919	27.1
120.02042	1.1
121.01655	1.5
121.02849	1.5
126.05519	3.7
127.02439	1.7
127.03929	8.3
128.98572	1.4
129.03996	1.2
131.01897	8.8
133.03497	6.5
134.99670	1.2
135.04439	1.1
137.02980	3.4
138.05542	3.0
142.03433	1.3
143.01888	19.1
144.59128	1.0
145.03487	12.7
145.05009	1.9
147.01419	2.3
147.05026	1.2
149.01195	2.0
149.02963	2.4
150.96829	1.2
152.02109	1.0
153.01801	7.8
155.01878	14.5
156.03560	1.8
157.01639	1.0
157.03470	9.9
158.03862	1.1
158.99649	1.8
159.05046	1.8
161.02963	31.5
162.03120	1.0
163.02710	2.1
163.04543	3.0
165.05307	1.3
167.01921	6.2
168.99858	1.3
169.03455	3.5
171.01471	1.2
171.05034	4.1
172.05055	1.1
173.02977	31.3
174.03024	1.3
175.02840	2.0
175.04524	4.7
177.00714	1.8
177.02299	1.2
179.01865	1.8
183.05022	3.3
184.04520	2.7
185.02957	44.3
186.03122	3.1
187.00894	3.4
187.02843	2.0
187.04480	5.9
189.00722	1.6
189.02478	3.7
189.06145	1.6
191.03972	4.1
195.05219	1.2
197.02965	19.5
198.06152	1.4
199.00967	2.3
199.04565	3.3
200.04424	1.2
200.07693	3.9
201.00720	2.4
201.02435	5.1
201.06111	2.4
201.07866	3.4
203.02269	2.2
203.04008	17.5
204.08685	2.8
208.04689	1.3
209.03000	2.5
211.00937	1.2
211.04619	1.1
213.02467	2.4
215.00476	3.6
215.02304	1.0
215.04022	11.8
217.01912	3.5
217.05569	1.9
218.08733	1.7
219.01697	3.3
219.03543	3.0
219.06885	1.4
219.08807	2.3
221.03026	3.0
221.05106	6.8
226.05722	1.4
227.04050	12.6
228.05711	4.7
228.55832	2.3
229.01845	3.0
229.07448	1.1
231.03500	4.8
231.07196	1.7
233.05179	1.2
235.06735	1.9
237.02744	2.0
237.06337	2.3
239.04115	1.3
242.08656	1.2
243.03627	1.7
245.05075	100.0
246.05309	6.0
246.08273	5.1
247.02977	3.0
247.05002	2.3
247.08472	7.1
257.05002	6.9
259.02802	2.8
261.02805	2.1
263.03860	1.5
263.06180	11.1
265.02173	1.2
265.06271	1.2
270.08121	1.5
271.02847	5.6
271.08569	3.3
273.04745	1.1
273.08136	1.7
275.02686	3.2
275.06131	13.2
277.03445	4.0
279.03793	2.4
281.07324	1.4
286.07855	1.6
288.09241	1.6
289.04117	13.2
289.09488	4.6
293.07172	3.5
301.04010	5.5
303.01422	3.4
303.05371	1.6
305.07104	10.6
307.05222	11.4
307.08243	1.6
318.08823	1.2
318.59378	1.3
319.05127	4.7
319.09634	2.5
321.10178	5.7
331.05090	1.9
335.08386	6.7
337.09714	1.4
349.06259	7.6
349.11569	1.6
351.11349	1.9
355.04919	1.2
359.04922	1.5
361.06125	2.4
365.09354	16.7
367.09506	1.3
373.06158	4.6
377.05807	3.6
379.07718	2.0
390.12405	1.6
391.07150	13.2
391.11890	1.5
403.01492	1.6
409.08087	8.5
409.13651	4.9
411.09921	1.7
451.08353	1.3
457.12057	1.3
465.08884	1.0
469.10583	1.8
511.11752	1.9
516.23804	1.2
539.10858	3.4
553.11664	1.5
571.12067	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	571.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50660	3.7
84.04525	2.3
93.59151	1.8
97.02892	2.7
101.00870	10.2
119.01920	28.6
120.00637	1.8
122.68297	2.0
126.05540	3.1
131.01918	10.9
133.03442	4.6
137.02940	4.0
143.01895	21.9
145.03473	14.2
147.01474	2.9
149.03027	2.8
155.01889	13.7
157.03465	8.1
161.02945	32.6
167.01868	4.9
169.03496	3.1
173.02974	30.8
175.04588	3.1
184.04561	2.1
185.02948	53.4
187.00926	3.6
187.04491	5.6
191.04066	3.3
197.02956	20.2
199.00850	2.3
200.07684	2.3
201.02380	3.6
201.07837	2.9
203.03972	13.6
204.08649	2.4
215.00378	2.2
215.03992	12.7
217.01910	4.1
219.03476	3.3
219.08725	2.3
221.05023	4.4
227.03960	12.8
229.01826	4.1
231.03520	3.1
233.05092	2.2
245.05072	100.0
246.05415	3.5
246.08031	2.4
247.02896	5.0
247.08578	4.6
257.05063	6.7
259.03043	2.4
261.04446	2.5
263.06122	14.8
271.02750	2.9
275.02478	3.4
275.06091	14.5
289.04022	10.6
289.09491	3.1
293.07278	4.0
305.07104	10.5
307.05093	10.2
331.05191	5.2
333.06607	2.3
335.08203	4.4
349.06314	9.5
359.04749	3.2
365.09265	16.0
373.06393	2.5
377.05624	4.7
391.07306	8.5
409.08392	5.0
409.13266	2.5
511.11224	2.6
539.10486	3.3
571.13074	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	570.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
53.25740	0.6
55.05505	0.9
57.06799	0.5
57.07072	7.1
57.88058	0.5
58.06580	1.9
62.65006	0.6
62.67490	0.5
62.92725	0.5
65.03932	1.0
67.05502	2.8
68.05038	0.5
69.07053	1.9
70.06212	1.1
70.06587	18.1
71.08614	2.2
77.03934	0.8
79.05473	2.1
81.03422	0.8
81.07033	2.0
85.10178	1.1
88.07625	20.9
89.06014	0.6
91.05484	1.6
93.07022	2.5
94.07335	0.6
95.04968	1.6
95.08603	1.5
96.86745	0.5
99.68525	0.5
102.09176	16.4
105.03381	17.4
105.07005	1.8
107.08571	0.8
118.16378	0.6
119.08551	1.1
121.10152	0.8
131.04922	1.2
131.08612	1.0
133.10078	0.6
135.11629	0.6
145.10146	0.9
147.04453	0.6
147.11760	0.6
149.02338	9.9
149.05966	60.1
157.10158	0.8
161.09660	0.6
161.13193	0.6
167.03424	0.9
171.11668	0.8
181.04958	1.8
181.06503	2.2
193.04948	10.4
212.23694	0.8
219.06422	0.9
223.13315	0.6
256.26334	48.8
257.26685	0.7
291.19513	1.1
297.07535	14.2
341.10172	57.3
342.10617	1.0
387.10733	0.5
454.66223	0.5
455.59296	0.5
472.35028	1.1
556.12488	0.7
570.34174	100.0
571.35236	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	570.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03703	0.9
53.03941	3.0
54.77779	1.1
55.01858	1.2
55.05512	8.1
57.03422	4.1
57.07058	1.4
67.05508	4.9
69.03427	8.6
69.07058	2.4
70.87415	3.0
71.04993	1.2
71.84587	1.0
75.04475	5.6
79.05490	18.6
81.03409	4.9
81.07072	7.3
83.04972	2.7
85.02905	9.3
85.06539	3.2
91.05474	19.4
93.07040	65.1
95.04960	6.0
95.08607	10.3
97.02899	3.3
97.06520	1.7
98.36507	1.0
99.04447	2.6
103.05445	2.9
105.07029	48.3
107.08585	25.3
109.02853	3.2
109.06510	13.6
109.10149	2.1
111.04412	1.4
111.08067	4.8
115.05404	1.2
116.06203	1.1
117.07023	4.6
119.08578	56.8
120.28113	1.0
121.06511	1.5
121.10140	100.0
122.10352	1.3
123.08068	10.0
123.11705	6.8
125.06006	2.0
127.03897	4.1
129.05406	1.1
129.07005	1.3
130.07788	2.1
131.08566	8.9
132.09335	1.4
133.06477	4.0
133.07495	1.3
133.10179	2.5
135.11691	1.5
137.09610	2.7
139.11168	4.7
143.08615	1.8
145.05003	1.6
145.10129	15.6
147.08052	2.6
147.11684	58.4
149.09622	24.0
151.07526	3.0
156.09352	2.9
159.08057	1.7
161.09558	1.3
161.13268	2.3
163.11162	4.9
165.09073	1.1
165.12773	5.0
167.10686	40.7
171.11699	2.9
177.05353	1.1
179.14372	1.1
187.11179	1.1
189.12741	45.4
191.10721	2.8
207.13800	35.0
247.13354	1.0
275.12799	2.8
283.15369	2.1
293.13840	7.3
298.66660	1.0
311.14886	46.3
329.15872	6.7
364.92914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44384	5.4
50.94975	5.9
51.70361	5.7
53.03933	7.8
55.01866	6.2
55.05505	5.7
65.89294	7.6
67.05486	18.5
69.03417	15.7
69.07059	9.4
70.06581	8.9
71.51073	11.0
79.01845	6.3
79.05476	21.2
81.03408	8.8
81.07040	29.6
83.04987	12.0
85.02893	20.0
85.06538	8.5
91.05458	23.3
93.07048	54.7
95.04949	20.4
95.08592	15.3
97.02878	12.7
97.06482	8.0
99.04454	6.8
105.03383	89.0
105.07016	36.3
106.03729	14.6
107.04902	6.8
107.08572	25.6
109.02862	17.3
109.06493	12.9
109.10135	12.1
111.08041	11.0
115.05470	6.3
119.04959	7.8
119.08586	40.8
120.04475	8.6
121.06470	15.5
121.10121	66.2
123.04403	16.9
123.08058	11.8
123.11677	8.9
125.05994	9.8
127.03931	10.7
131.08495	7.8
135.04315	5.8
137.05962	14.2
139.03856	10.3
142.03261	6.7
143.08482	9.1
145.10088	14.3
147.11642	29.4
149.09631	16.7
153.01825	100.0
163.11197	11.3
165.09081	13.8
166.54350	6.1
167.07036	10.9
167.10675	22.5
175.03941	9.4
177.05470	14.2
181.05023	16.8
184.07278	8.1
187.11142	9.9
189.12770	20.6
207.13774	15.4
217.12231	9.1
237.03754	10.1
257.52982	7.3
266.79401	6.0
273.18762	6.8
299.57883	6.6
302.06805	13.5
303.04932	30.4
304.05338	28.7
311.14822	29.7
443.21893	6.4
570.27795	14.7
571.27191	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22349	0.4
51.02390	0.3
53.03941	0.5
54.03461	0.9
55.01865	0.6
55.04233	0.5
58.06609	0.8
59.05005	0.7
67.05495	1.5
68.99794	1.3
69.03412	0.4
69.07079	0.4
69.49191	0.7
69.49593	2.3
70.06591	100.0
71.05006	0.5
79.05494	1.8
81.03391	0.5
81.07053	4.6
91.05485	2.6
93.07037	2.4
93.39259	0.3
93.60601	0.4
95.04974	2.1
95.08604	1.7
97.06569	0.5
98.21526	0.7
103.05465	1.7
105.04539	0.5
105.07030	2.3
107.04937	1.6
107.08597	0.7
109.02921	0.4
119.04986	0.7
121.06514	3.6
121.10139	6.8
123.04422	8.6
123.08073	0.6
123.11674	2.2
124.03958	0.8
125.05978	1.1
127.03943	0.4
131.04942	1.5
133.06499	1.5
135.04414	2.9
137.05975	0.8
138.06285	0.5
139.11169	1.3
145.02855	1.1
145.06421	0.5
147.04369	3.5
149.05963	7.1
149.09634	0.7
159.04387	1.0
161.05983	5.4
163.03836	0.6
163.07646	0.4
165.05499	2.1
167.07115	0.5
167.10690	1.2
175.07599	2.2
177.05466	61.3
178.05846	1.1
185.11858	0.4
187.03902	0.5
188.75021	0.4
189.05466	7.2
193.08650	0.6
204.22095	0.4
207.06569	0.8
234.11253	5.1
249.66476	0.4
268.08224	0.6
303.04889	0.7
309.21664	0.4
311.09119	5.8
329.10239	1.5
368.14862	0.9
513.21582	1.7
570.26971	67.4
571.27386	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	570.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05504	7.1
57.77482	1.8
59.04994	6.1
59.25077	1.6
67.05515	9.4
69.03423	5.6
69.07090	2.6
69.12839	1.8
69.42725	12.2
70.06600	17.4
71.04984	3.9
76.23936	1.6
79.05495	17.1
81.03408	10.4
81.07056	35.5
83.04974	4.7
83.08627	2.1
84.04487	4.5
85.02927	9.8
85.06529	4.4
91.05482	26.9
93.03408	7.2
93.07049	41.5
95.04964	2.9
95.08631	9.7
97.02891	4.8
99.04453	3.2
101.42975	1.9
103.05468	3.7
105.07031	61.9
107.04958	3.9
107.08597	13.2
109.02880	6.2
109.06517	16.7
109.10203	2.1
111.04430	10.4
117.07023	5.8
119.04980	1.7
119.08581	57.2
121.06513	2.7
121.10144	44.0
123.04434	2.5
123.08086	10.6
123.11704	5.6
125.05968	3.5
127.03929	4.4
130.07808	2.7
131.08582	8.1
132.09349	2.8
133.06496	6.8
133.10110	3.0
135.08206	1.7
137.06009	4.3
137.09644	4.1
139.11217	2.1
145.10097	14.3
147.04362	2.6
147.08051	2.9
147.10669	1.4
147.11681	78.7
149.09618	100.0
150.09932	4.4
151.07504	3.7
156.09396	2.5
161.05995	3.4
161.13274	2.7
163.11172	4.7
165.12704	2.8
167.10675	46.3
171.11684	2.3
175.03883	3.0
177.05615	2.1
184.07361	2.4
189.12747	45.7
193.08640	2.9
194.09106	2.5
207.06523	10.9
207.13806	41.0
207.15761	2.3
211.09805	4.2
293.13855	11.2
311.14890	65.4
312.15100	2.7
329.15936	51.8
501.20630	2.3
515.65887	2.3
570.19684	4.1
570.27820	3.7
571.26379	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27643	3.3
52.91501	4.5
53.03933	6.0
55.05494	4.1
59.04770	4.1
59.05005	52.4
67.05499	30.3
69.03414	18.0
69.07056	13.9
69.25875	3.8
70.06568	4.1
71.05000	7.5
71.51336	5.5
79.05484	22.9
81.03400	20.1
81.07053	29.1
83.08598	4.9
85.02898	67.2
85.06547	4.6
86.43321	3.6
90.32724	4.2
91.05479	28.0
93.07034	18.3
95.04952	11.2
95.08604	67.5
97.06525	23.0
105.07025	26.9
107.04934	8.9
107.08594	9.8
109.02882	57.9
109.06509	4.8
109.10155	64.8
117.07066	5.2
119.08565	40.5
121.06483	8.8
121.10154	49.6
123.08063	100.0
123.11701	53.9
123.37799	3.9
123.63890	5.2
125.05959	11.5
127.03916	10.5
133.06473	7.8
135.08011	4.2
137.05995	10.9
137.09612	53.3
139.11140	8.5
141.09077	27.8
145.10066	8.5
147.04405	4.7
147.08038	11.8
147.11703	11.4
149.09610	14.5
151.03802	6.0
151.07550	9.2
155.10732	6.7
156.23399	3.8
156.31754	3.8
159.11670	5.6
163.03883	4.2
165.09113	59.8
167.07043	14.0
167.10616	7.1
175.07526	4.4
177.05516	5.7
181.04903	5.9
183.08636	6.9
183.10168	86.1
189.12694	16.2
193.08556	5.1
201.11134	6.4
206.74902	3.9
207.06511	8.2
207.13792	46.2
211.09706	8.5
225.14832	27.6
289.27051	4.4
325.70215	4.1
327.14365	31.8
341.67032	4.5
345.15573	20.0
351.17917	15.7
391.01566	4.1
422.87012	4.1
469.41428	5.1
551.28558	8.0
569.25000	9.7
570.26581	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	569.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05260	3.7
51.02390	3.5
53.03942	8.4
55.05483	6.2
59.04999	65.1
62.29613	4.2
67.05496	32.9
69.03402	24.0
69.07066	17.1
70.06597	5.1
71.04984	3.8
71.50739	4.9
74.11166	3.2
78.99542	3.5
79.05483	16.5
81.03416	25.7
81.07050	26.7
85.02905	55.1
91.05482	25.1
93.07039	18.5
95.04951	13.6
95.08604	84.5
97.02848	7.1
97.06559	22.1
97.61271	3.4
105.07063	22.7
107.04935	14.2
107.08591	8.2
109.02877	62.0
109.06570	4.9
109.10149	72.3
119.08591	43.3
121.06488	6.4
121.10125	50.5
121.74526	3.7
123.08060	100.0
123.11707	50.1
125.05994	12.9
127.03899	12.9
131.08618	4.1
133.10146	5.8
137.05966	12.2
137.09622	56.7
139.11182	9.7
141.09090	26.6
147.08072	12.7
147.11708	10.7
149.09605	19.1
151.07635	9.4
161.09677	4.0
165.09122	63.8
167.07042	11.6
167.10625	5.5
183.10164	87.5
184.07327	4.5
189.12820	14.2
201.11174	6.8
207.06459	5.0
207.13809	57.0
225.14854	27.8
241.23915	4.0
273.14832	6.5
295.37894	3.9
309.13477	5.6
327.14371	43.4
345.15570	18.6
351.18008	21.7
369.19073	6.1
514.00647	4.3
533.26825	5.0
551.28558	5.7
569.27515	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	569.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05497	2.1
57.03412	3.9
58.80188	2.5
59.04726	3.7
59.05002	45.2
67.05506	11.4
69.03419	9.1
69.07058	8.8
70.06570	2.9
70.86900	5.9
79.05494	8.4
81.07050	8.8
83.04966	3.9
85.02913	3.7
91.05476	10.3
93.07051	11.4
95.04963	9.1
95.08616	38.1
97.06531	17.8
99.04419	3.2
100.11283	3.0
105.07011	12.1
107.04942	6.8
107.08585	10.5
108.05736	2.9
109.02872	32.5
109.06489	4.0
109.10162	47.9
111.04445	3.4
119.08585	20.7
121.06540	3.3
121.10159	26.8
123.04478	2.4
123.08071	59.9
125.06020	3.4
127.03915	2.6
135.11667	4.4
137.05969	4.3
137.09616	60.8
139.11169	6.3
141.09119	19.5
145.02873	4.1
147.08057	6.4
147.11661	2.8
149.09671	4.3
149.45255	2.2
151.03935	2.4
153.09093	2.5
155.10669	2.2
161.13242	2.9
161.46568	2.1
165.09122	43.0
183.10172	100.0
189.12708	4.7
201.11287	7.7
207.13803	7.4
327.14246	6.4
345.15329	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	569.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
55.01868	4.6
55.05508	9.4
58.86506	2.9
65.33667	2.8
67.05490	11.3
69.03416	12.5
69.07060	14.7
69.45413	26.1
71.04984	10.0
79.05500	21.2
81.03410	19.8
81.07054	30.4
83.04993	20.0
85.02894	12.0
89.10033	3.0
91.05477	12.5
93.07031	49.5
95.04969	12.4
95.08598	19.0
97.02896	11.3
97.06541	25.0
99.04437	18.3
101.06014	10.4
101.07143	6.9
105.07015	35.9
107.04965	5.8
107.08583	24.9
109.02879	32.9
109.06504	24.6
109.10140	5.9
111.04412	3.6
111.08080	11.7
119.04950	5.7
119.08569	18.6
121.06502	54.1
121.10144	7.8
123.04382	6.4
123.08091	3.5
123.11694	10.2
125.06007	15.4
127.03912	31.4
127.07555	10.3
129.06993	5.3
131.08543	7.3
133.06491	5.4
133.10152	14.2
135.04420	5.7
135.08006	15.5
137.05959	12.2
139.07545	13.3
141.05475	3.9
142.07813	5.2
143.07036	17.2
143.08565	5.6
145.10110	8.6
147.11678	45.6
149.13258	3.7
151.03914	11.8
151.11212	5.1
157.08577	7.2
157.10112	15.6
161.05942	3.7
161.13243	9.7
165.09135	6.3
165.12715	22.3
167.07027	6.4
169.12213	9.1
171.08131	3.2
171.11676	10.7
173.09604	5.6
175.11180	29.2
179.07161	4.0
187.06013	12.4
189.12729	18.4
193.08612	18.8
193.12283	29.1
199.11104	21.1
205.06992	4.8
205.08713	4.1
207.13765	14.9
211.09657	46.0
211.13264	24.4
217.12230	66.2
229.14339	8.7
235.13266	100.0
253.14340	97.7
271.15378	12.2
303.08151	3.5
305.12436	5.7
313.16400	4.1
343.15451	5.6
361.16174	5.9
379.17416	9.8
395.29593	3.2
397.18729	17.5
578.44208	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	569.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05493	0.4
65.03947	0.8
67.01480	0.4
67.05501	0.6
71.08652	0.4
79.05470	0.6
88.97114	0.4
91.05473	5.4
93.03381	0.4
95.04941	1.5
95.08595	0.6
98.20773	1.2
103.05437	0.7
105.03362	1.0
105.07024	1.1
105.25723	0.4
109.06516	1.4
109.10155	0.6
111.04446	0.8
115.05427	0.4
116.83488	0.4
118.04202	0.4
119.04945	0.9
121.02884	0.7
121.06492	3.4
122.03657	0.7
123.04401	0.5
125.05943	0.9
129.06961	0.6
131.04881	0.4
133.06433	0.5
135.04388	0.6
138.03159	2.0
139.07550	1.1
145.10135	0.4
147.04401	0.5
148.05182	2.2
149.02184	0.5
151.03906	0.7
151.07553	5.1
153.05429	0.7
154.69878	0.4
155.07057	2.4
163.03918	1.8
163.07542	6.5
164.04692	3.5
165.05421	0.5
166.02637	2.4
167.07053	1.3
167.08563	1.3
177.05380	0.4
179.07002	2.3
179.08470	0.7
181.04947	100.0
182.05243	1.2
184.03690	3.1
191.06944	0.7
191.08577	0.7
192.04166	9.7
193.04930	1.5
199.14828	0.5
204.70140	0.4
205.10086	1.4
207.06519	54.9
207.51871	0.4
208.06796	0.6
215.08582	3.4
233.09540	2.1
235.06004	70.7
236.06306	0.8
243.08038	0.4
243.10165	1.9
252.90201	0.4
255.10196	1.0
261.09088	1.1
369.14917	0.8
387.15906	0.7
397.14337	0.6
415.15512	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	569.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17856	0.9
60.52091	1.0
64.51940	0.9
67.05489	2.4
69.84051	5.4
73.27071	1.0
78.80913	0.9
79.05479	2.6
81.07037	2.1
81.14833	1.0
91.05482	7.8
93.07060	1.2
95.04935	1.6
95.08590	1.6
98.21426	1.8
98.98438	1.3
103.05452	2.5
109.06514	1.9
109.10100	1.1
119.08515	1.0
121.06489	3.4
131.04901	3.7
145.10138	1.6
148.05162	2.6
151.07555	6.1
163.03882	1.8
163.07527	6.3
164.04703	4.8
171.11771	1.0
179.07025	2.6
181.04948	22.0
192.04129	11.8
203.95552	1.0
207.06517	70.1
219.08113	2.7
235.06000	100.0
236.06290	1.9
285.11255	5.9
347.98087	1.0
371.74948	1.1
376.16586	1.1
471.34833	1.4
472.10556	1.3
532.86365	1.1
569.41553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70364	0.3
51.02388	0.6
53.03945	1.0
53.99966	0.3
63.67093	0.3
64.88413	0.3
65.03925	0.6
69.55793	0.4
69.56203	1.8
77.03909	0.6
79.05492	0.5
81.07076	0.9
91.05483	2.2
93.03397	0.5
93.07000	0.7
95.04961	2.3
97.06543	0.4
103.05463	27.2
105.04512	0.3
105.07049	0.5
105.96104	0.3
107.08613	0.3
109.10178	0.5
111.04433	0.7
117.07020	0.4
119.08587	0.6
125.05983	0.8
131.04924	100.0
132.05270	1.0
138.03139	1.8
145.10165	0.5
151.03854	0.7
166.02623	2.0
167.08539	2.9
175.14890	0.4
181.04950	67.1
182.05304	0.8
184.03674	2.5
193.19017	0.3
205.10226	0.4
215.08536	0.4
217.10185	0.7
219.08080	0.4
221.15140	0.4
223.05933	0.4
243.10161	0.5
256.24667	0.3
261.09286	0.3
285.11200	18.2
415.15311	0.8
496.87564	0.3
528.25818	0.4
568.55676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55125	0.2
53.03933	0.6
55.01869	0.3
55.05494	0.3
57.16988	0.2
62.57528	0.2
65.03931	0.4
67.05492	0.5
68.35331	0.2
68.99783	0.3
69.07054	0.2
79.05500	1.1
81.07027	0.4
83.01347	0.2
84.11568	0.2
91.05475	4.8
93.07051	0.4
94.04189	0.6
95.04959	1.4
103.05462	1.0
105.03378	0.7
105.07020	0.7
106.04194	0.2
107.04915	0.2
107.08569	0.3
108.05788	0.3
109.06522	1.6
111.04439	0.5
115.05471	0.2
117.06983	0.3
118.04135	0.8
119.04960	1.0
119.08600	0.3
120.05683	0.4
121.02814	0.4
121.06491	4.9
122.03641	0.8
123.04388	0.4
123.08072	0.4
125.05966	0.8
129.06961	0.5
131.04948	0.3
133.02805	0.4
133.06500	1.3
135.04384	0.2
136.05212	0.3
137.05963	0.7
138.03104	1.2
139.07532	1.4
140.32399	0.2
141.05484	0.3
147.04398	0.4
148.05177	2.8
149.02313	0.8
149.05994	0.4
149.07079	0.4
150.03052	0.3
151.03929	0.4
151.06299	0.5
151.07535	8.6
153.05464	0.5
155.07019	5.7
160.01543	0.3
163.03929	2.4
163.07532	8.7
164.04675	6.6
165.05475	0.8
166.02583	0.8
167.07036	0.5
167.08452	0.3
175.03915	0.7
177.05437	0.5
178.07741	0.4
179.07028	3.3
179.08543	0.4
181.04939	47.5
182.05188	0.3
184.03653	1.4
189.05502	0.3
190.07780	0.3
191.03442	0.3
191.08575	1.2
192.04156	13.9
193.04938	3.1
201.85349	0.2
203.08502	0.4
205.10088	0.8
207.06511	88.1
208.06784	0.9
215.08565	2.7
220.03598	0.3
233.09636	1.5
235.05989	100.0
236.06395	1.0
243.07903	0.3
243.10161	0.6
261.09082	1.5
271.84027	0.2
281.11697	0.5
309.10828	0.4
333.14651	0.4
369.14731	0.4
387.15717	0.4
389.12363	0.3
397.56998	0.2
415.15488	2.4
544.23187	0.3
569.41809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02385	0.7
53.03945	3.1
55.01861	0.3
55.05516	0.2
57.03429	0.6
61.02919	0.2
61.51395	0.2
65.03935	0.4
67.05506	0.4
68.99789	0.9
69.03427	1.4
69.07040	0.2
71.04974	0.3
71.50858	0.1
73.02918	0.3
77.03912	0.8
79.05489	1.6
81.03412	2.1
81.07047	0.4
83.04991	0.2
83.08633	0.2
85.02401	0.2
85.02899	3.2
91.05444	0.2
93.03416	0.3
93.07032	0.5
95.04962	6.0
95.08602	0.4
97.02882	1.8
99.04431	0.8
105.03385	92.3
106.03738	0.4
107.08562	0.3
109.02884	1.7
109.06483	0.2
109.10164	0.3
111.00785	0.9
111.04452	0.2
119.04938	0.2
119.08585	0.3
121.02866	1.0
121.10142	0.3
123.04427	3.0
123.05234	0.3
123.46667	0.2
127.03909	2.4
131.04901	0.3
133.10130	0.2
135.04408	0.3
137.02333	4.0
137.05957	0.4
145.04930	1.5
145.06139	0.2
145.06516	0.2
145.10144	0.3
147.11662	0.2
149.02322	0.4
151.07556	0.2
153.01814	4.1
155.04887	0.2
161.05972	0.4
163.02693	0.1
163.03842	0.7
163.07515	0.2
165.01828	1.9
166.02629	0.2
167.07091	0.3
171.17535	0.1
173.06026	0.4
177.05476	0.3
183.02905	0.8
183.04314	0.3
184.07339	0.2
187.03967	0.3
189.05431	0.3
191.03410	0.2
191.14485	0.2
195.02800	0.3
195.06578	0.4
199.07411	0.2
201.05446	2.0
201.53033	0.1
204.69820	0.2
205.05038	0.2
207.06470	0.7
210.93323	0.2
213.05382	0.2
215.03479	0.2
219.06552	0.3
228.04218	0.2
229.04945	4.8
246.05406	0.2
247.06004	0.7
248.09187	0.2
249.07584	3.1
257.04401	2.8
267.08609	4.8
274.04855	0.9
275.05530	0.2
285.03940	1.3
303.04962	100.0
304.05267	1.3
315.04956	0.4
318.82333	0.2
345.06085	0.6
369.06192	0.3
411.07117	0.4
464.08023	0.2
540.00610	0.2
569.25470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
51.02373	0.5
53.03711	0.4
53.03946	5.3
55.01872	0.5
57.03422	0.5
65.03948	0.4
67.05508	0.5
68.99781	0.5
69.03427	5.2
69.07048	0.4
69.69646	0.9
69.70071	0.7
71.04985	1.1
77.03925	0.9
79.05490	3.4
81.03416	14.6
81.07059	0.7
81.89356	0.2
83.04974	0.4
85.02390	0.3
85.02898	4.5
87.04483	0.3
91.05479	0.7
93.03401	0.4
93.07044	0.6
95.04964	6.2
95.08617	0.6
97.02889	8.6
99.04456	1.7
101.32513	0.2
105.03387	73.7
105.04528	2.1
105.07026	0.7
106.03709	0.4
107.04966	0.5
107.08563	0.3
109.02872	6.9
109.06554	0.3
109.10195	0.4
111.00809	0.8
114.51070	0.3
117.06987	0.3
119.08577	0.5
121.02883	1.2
121.06525	0.3
121.10178	0.5
123.03587	0.4
123.04426	5.5
123.08073	0.4
127.03918	5.6
133.06470	0.3
137.02318	3.7
137.05974	0.5
145.02859	0.3
145.04958	1.6
145.06487	0.4
147.04410	0.3
149.02341	0.3
151.11285	0.3
153.01826	4.4
161.06017	0.3
163.03908	0.6
165.01839	2.4
167.06996	0.5
173.06017	0.6
173.13179	0.2
177.17708	0.2
181.04930	0.9
183.02901	1.0
183.04393	0.4
183.10265	0.3
191.03371	0.4
195.06509	0.3
195.62349	0.3
201.05440	1.9
207.06561	0.5
207.13850	0.3
213.05412	0.3
225.07597	0.5
226.68123	0.3
229.04979	4.2
246.60190	0.3
247.06050	0.8
249.07578	13.8
250.20581	0.2
257.04462	2.4
267.08606	1.2
274.04724	0.6
275.05188	0.3
285.03876	1.3
300.34686	0.3
303.04968	100.0
304.05194	1.3
319.80371	0.3
345.06076	0.5
425.35510	0.3
569.25635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05503	10.7
57.07079	6.7
57.60895	1.4
59.04992	2.0
65.03936	3.1
65.75754	1.4
67.05505	18.4
69.03423	2.8
69.07063	13.3
69.28369	13.8
77.03891	1.2
79.05488	23.1
80.06287	3.0
81.07053	33.1
82.07378	1.6
83.04946	2.9
83.08611	5.2
85.06522	4.0
91.04911	2.3
91.05478	38.3
92.06245	3.2
93.07040	56.9
94.07833	3.8
95.04965	42.4
95.08602	28.8
97.06546	2.9
104.06210	1.3
105.04467	1.4
105.07027	83.0
106.07848	2.0
107.08589	44.5
107.09315	2.6
108.09450	1.9
109.06495	4.4
109.10144	19.4
111.08067	1.5
115.05458	6.0
117.07019	21.8
118.07832	2.1
119.08575	100.0
120.09383	8.1
121.06493	2.1
121.10130	33.4
123.08076	15.8
123.11703	4.2
125.09632	1.5
128.06194	9.4
129.06985	18.2
130.07762	8.2
131.08560	47.5
132.09369	10.0
133.10132	56.0
134.10893	5.7
135.08069	6.3
135.11679	17.8
137.09628	5.0
138.10385	6.4
139.11217	1.8
141.06990	5.7
142.07787	16.7
143.08560	45.0
144.09352	11.6
145.10118	84.2
146.10843	4.9
147.08102	1.6
147.11670	21.7
149.09631	5.1
149.13231	3.2
151.11137	2.9
152.02438	1.3
153.06970	2.7
154.07828	3.0
155.08531	16.1
156.09332	16.4
157.10129	49.1
158.10905	13.1
159.11682	46.8
160.12422	2.7
161.09593	4.8
161.13298	7.9
163.11198	2.9
165.06998	4.9
166.07771	2.0
167.08539	7.4
168.09337	5.7
169.10117	27.0
170.10962	8.8
171.11693	35.2
172.12482	6.9
173.09644	2.0
173.13254	29.4
175.11214	1.9
175.14790	18.1
177.12721	5.0
178.75476	1.6
179.08517	7.8
180.09377	2.9
181.10123	14.9
182.10922	6.8
183.11688	29.1
184.12444	5.8
185.13275	20.6
186.13945	7.6
187.11301	1.9
187.14821	14.2
189.12712	3.6
191.14302	7.2
192.09320	2.6
192.15085	1.7
193.10126	10.9
193.15843	1.7
194.10896	8.4
195.11676	19.7
196.12506	8.0
197.13257	30.4
198.13994	5.7
199.11125	1.7
199.14841	10.7
200.15443	1.6
201.12717	4.5
201.16380	5.2
203.14301	2.5
206.10953	3.7
207.11662	11.8
208.12436	4.2
209.13266	25.2
210.14023	3.1
211.14819	16.9
212.15419	1.9
213.16353	4.9
215.14204	2.3
217.15863	4.0
219.11630	3.3
219.17374	1.6
220.12411	2.8
221.13242	8.0
222.13943	2.2
223.14731	10.9
224.15575	4.6
225.16342	8.5
226.17107	1.7
227.14420	2.4
231.11647	2.0
233.13226	3.3
234.13940	3.8
235.14839	7.0
236.15610	1.6
237.16296	8.0
239.17937	5.9
241.19528	2.9
245.13199	1.8
247.14798	3.2
249.16344	5.3
251.17960	4.0
253.19505	2.3
259.20502	1.6
261.16446	2.4
263.17966	4.3
265.19556	2.8
267.21033	2.7
269.19125	1.4
275.01291	1.5
275.17984	2.3
277.19580	2.3
279.21005	2.7
281.18906	1.6
283.20523	3.7
285.22137	2.1
295.20682	1.6
303.21124	1.5
305.22702	1.4
320.24884	1.8
323.23569	3.6
337.25403	3.3
338.25983	25.9
430.32349	9.6
439.85611	1.5
476.36578	7.5
549.56860	1.4
568.42706	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
53.21402	1.1
55.01860	4.3
55.05509	25.0
57.03426	5.2
57.07060	1.8
59.04991	3.1
65.03940	3.6
67.05502	100.0
69.03426	18.8
69.07060	13.0
69.35185	3.1
69.35596	9.7
71.04991	4.5
75.36335	1.2
79.05491	33.6
79.39036	1.2
81.03412	54.4
81.07052	58.5
83.04977	13.4
83.08622	14.5
85.02890	5.5
85.06528	4.3
91.05477	26.5
93.06490	2.4
93.07042	36.0
95.04961	11.3
95.08606	15.5
97.02874	10.2
97.06541	7.4
97.10164	7.8
99.04443	4.8
99.08087	3.0
101.02393	1.5
105.07030	14.1
107.04937	4.3
107.08583	23.3
109.02878	12.2
109.06523	3.5
109.10148	50.1
111.04425	11.5
111.08092	5.3
113.09612	1.7
117.07021	8.0
119.08553	10.6
121.06485	3.4
121.10157	11.8
123.04438	2.3
123.11704	3.3
125.05994	1.3
125.09595	8.0
127.03887	9.1
129.07010	4.0
131.04890	1.5
131.08566	10.8
133.06425	2.0
133.10089	9.6
135.08054	3.3
135.11694	5.7
137.09604	2.9
138.03133	1.6
143.08607	3.0
145.06546	1.7
145.10121	7.1
147.08099	1.3
147.11694	5.8
149.13269	14.4
151.03915	1.4
155.08562	2.8
155.10677	3.7
157.10127	4.3
159.08052	2.4
159.11673	7.5
161.09671	1.4
161.13322	2.0
167.08511	1.5
169.10121	2.5
171.11716	1.9
173.04456	1.5
173.11743	18.5
173.13193	2.4
175.14781	1.5
177.12772	2.4
179.80591	1.5
181.04942	61.2
182.05391	1.9
183.06532	2.1
183.11775	1.8
187.14902	1.5
189.11249	6.3
195.13850	9.0
201.16394	1.4
203.08549	1.5
205.10120	1.9
209.13141	1.4
213.14952	1.7
227.12863	4.5
229.14250	7.6
245.13708	1.7
269.17480	5.0
275.16718	2.0
281.13882	2.7
285.14819	1.7
299.14819	10.7
303.15775	2.3
339.18076	3.4
355.17465	4.7
395.20792	3.6
405.26450	1.9
413.13724	6.7
423.27240	11.2
531.29889	2.0
549.30670	5.8
567.31635	89.5
567.40601	8.3
568.32471	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	567.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
55.01867	5.5
55.05268	3.0
55.05509	28.3
57.03436	9.1
59.04999	4.6
65.03922	3.1
67.05502	98.6
69.03428	16.2
69.07064	15.2
71.04990	8.4
71.51279	3.7
79.05490	31.9
81.03416	60.8
81.07050	57.1
83.04974	14.8
83.08621	13.6
83.73598	1.9
85.02908	6.7
85.06557	3.4
91.05476	30.5
93.07037	37.4
95.04966	9.0
95.08607	21.6
97.02892	9.6
97.06516	6.2
97.10146	9.3
99.04456	6.1
105.07037	12.0
107.04960	3.8
107.08588	21.9
109.02868	12.6
109.06535	2.7
109.10148	47.8
111.04411	12.4
111.08071	5.7
113.09674	2.0
117.07011	8.9
119.08581	11.4
121.10138	13.1
123.11719	3.3
125.09618	5.8
127.03910	11.7
129.06970	3.3
131.08568	11.0
133.10133	8.9
135.08052	3.3
135.11710	7.3
137.09590	2.9
141.07101	2.0
143.08618	4.0
145.10075	2.6
147.11674	5.2
149.09647	3.3
149.13223	13.4
155.08543	2.3
155.10660	2.1
157.10117	3.1
159.11667	7.3
169.10176	1.9
173.11723	18.9
173.13196	3.2
177.12755	3.4
181.04976	11.1
183.06458	2.5
189.11244	7.8
195.13829	9.3
213.14951	2.7
227.12801	4.3
229.14415	7.9
257.14139	2.6
260.69077	2.2
269.17593	5.3
271.15540	2.5
299.14862	11.4
303.16010	3.5
307.55661	1.8
321.17111	2.5
355.17575	8.0
395.20685	3.8
405.26569	1.9
423.27438	11.5
531.29700	4.0
549.30695	4.3
549.40411	2.6
567.31653	100.0
567.40076	7.7
568.31677	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01859	0.8
55.05510	2.0
55.97428	0.5
57.03445	0.7
59.05016	0.6
67.05509	6.1
69.03423	1.5
69.07079	1.5
69.80071	1.3
69.80476	2.7
71.05021	0.6
73.31045	0.5
79.05498	3.2
81.03412	5.3
81.07050	4.7
83.05002	2.0
83.08619	1.4
85.02930	1.9
85.06541	0.6
86.08163	0.5
91.05479	4.0
93.07036	2.7
95.04983	1.8
95.08613	2.0
97.02897	0.8
97.06513	1.0
98.21435	0.9
105.07034	2.7
107.04969	1.2
107.08627	2.0
109.02909	1.2
109.06546	0.8
109.10140	3.3
111.04494	0.5
111.08099	0.9
117.07043	1.1
119.08588	1.9
121.06512	0.6
121.10162	2.7
125.09663	1.1
129.07034	0.8
131.08574	1.6
132.18846	0.5
133.10182	1.6
135.11720	0.7
135.91768	0.6
137.09595	0.7
139.03804	0.6
145.10175	0.8
147.04405	0.6
147.11772	1.1
149.09637	1.1
155.08533	0.6
157.10214	0.8
159.11714	0.8
161.13242	0.8
171.11763	0.6
175.11185	0.8
181.05005	1.1
184.07414	0.7
185.35985	0.6
193.12315	1.2
251.12540	1.2
283.15179	11.0
307.15302	0.8
339.17783	6.5
467.89978	0.6
507.33084	1.3
567.31519	100.0
568.32336	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	567.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01863	0.8
57.03428	1.5
65.03930	1.4
66.77356	0.5
68.99781	1.3
69.03429	4.9
69.07066	0.7
69.49903	2.7
69.50331	2.1
76.73182	0.6
79.05502	1.1
81.03409	1.5
81.07058	1.0
85.02903	5.6
87.04454	2.3
91.05476	42.9
97.02897	4.9
97.03417	0.9
103.05453	1.9
105.07026	59.8
115.03928	1.8
115.05442	10.7
117.06996	1.5
117.39085	0.6
118.53505	0.6
123.04342	1.0
127.03932	0.7
129.06976	1.8
131.04829	0.7
133.04927	1.5
133.06493	10.6
137.05939	2.2
139.03885	5.2
141.05394	3.9
149.05975	0.6
151.03761	0.6
153.05457	5.8
153.06737	1.1
155.08522	2.1
157.06487	2.6
163.03821	0.8
165.05479	4.8
165.06871	1.3
167.08510	3.1
169.04918	1.8
175.07611	0.6
177.05457	7.1
179.08580	0.6
181.04929	1.0
181.06473	1.4
181.10132	0.9
183.06543	2.1
191.07016	0.9
194.34058	0.6
195.08058	3.6
207.06277	0.6
207.08139	0.9
213.09145	0.8
219.06491	3.7
219.08284	0.7
223.07550	3.1
227.10663	1.1
235.07578	1.2
237.09244	0.9
240.07887	1.0
251.10641	1.0
255.10152	21.1
267.10132	4.8
273.11200	100.0
274.11472	1.4
279.10144	1.9
285.11215	8.6
297.11194	5.8
305.11813	0.9
305.71863	0.8
313.10464	0.9
315.12244	15.1
315.15689	1.3
321.11124	0.9
332.05499	0.8
333.11267	1.5
339.12271	4.5
351.12341	3.0
357.13113	0.9
369.13220	7.6
387.14523	3.2
405.15274	2.7
435.16632	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01868	1.6
55.05497	2.2
57.03439	1.9
61.02926	1.7
65.03950	1.1
67.05483	3.2
69.03410	3.4
69.07047	1.6
69.36763	2.2
69.37169	5.5
69.98470	0.7
73.02905	7.8
73.35519	0.9
77.70307	0.8
79.05483	3.0
81.03389	2.4
81.07047	2.8
82.75776	0.7
83.04976	1.8
83.08611	0.9
85.02919	3.9
91.05473	41.8
93.07038	3.3
95.04955	1.2
95.08600	2.4
96.09970	0.8
97.02891	2.7
97.10122	1.0
103.05497	1.0
105.07026	60.9
107.04962	1.0
107.08584	3.4
109.02950	1.1
109.10142	1.9
110.90523	0.7
115.03926	1.5
115.05444	8.8
117.07000	2.6
119.08573	2.9
121.06469	1.7
121.10085	1.9
123.04414	1.1
125.09566	1.3
127.03890	1.5
129.06989	2.4
131.04893	1.0
131.08545	2.2
133.06471	10.6
133.10147	1.8
135.08049	3.4
135.11746	1.5
137.05952	2.4
139.03902	5.5
141.05461	2.9
145.04933	1.4
145.06509	1.4
145.10095	1.8
147.08044	1.0
149.05882	0.9
149.09618	1.4
153.05486	4.4
153.06726	0.7
155.08525	2.3
157.06476	2.8
157.10146	1.3
159.08084	1.0
159.11650	1.3
161.06006	0.9
163.07539	1.4
165.05502	2.7
167.07149	1.0
167.08540	4.5
169.04964	2.7
175.07542	3.6
177.05452	7.4
179.08607	0.8
181.04938	1.4
181.06505	1.0
183.11700	1.1
187.11180	2.0
191.06952	1.6
192.07779	0.9
195.08037	3.6
197.05844	1.0
201.12764	1.4
205.12164	0.9
207.06496	1.3
213.05481	0.8
213.09099	1.4
219.06490	2.8
219.13860	1.2
223.07536	2.5
224.08247	1.3
229.12248	1.8
239.06923	1.4
240.07770	1.1
245.57864	0.9
247.13422	1.4
255.10149	26.2
267.06500	1.2
267.10083	1.5
273.11203	100.0
285.11209	1.2
315.11932	1.2
321.11209	1.3
323.16266	1.5
333.11172	1.0
339.12329	4.8
351.12268	4.5
361.17267	0.9
369.13318	6.3
375.05524	0.9
387.14117	2.5
435.16205	3.3
549.29132	1.2
567.29468	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	567.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05497	1.2
55.30874	0.4
65.03929	0.6
66.92721	0.4
67.05501	2.7
69.03417	0.6
69.07043	0.4
70.76512	0.8
70.76875	0.7
79.05503	2.0
81.03402	1.4
81.07056	2.5
83.04967	0.4
91.05474	1.6
93.03398	0.6
93.07014	1.4
95.04958	1.8
95.08593	0.6
97.02899	0.4
97.06536	0.4
99.40112	0.4
105.07035	1.1
106.24079	0.4
107.08595	0.9
109.02897	0.4
109.10136	1.4
111.04421	0.6
111.08063	0.4
117.07040	0.4
119.08566	0.6
121.10153	0.6
123.04455	0.5
125.05992	0.9
131.08586	0.7
133.10068	0.6
135.11615	0.6
138.03117	2.4
143.08562	0.6
145.10117	0.5
151.03889	1.1
151.18907	0.4
155.08563	0.6
166.02585	2.4
181.04942	100.0
182.05223	0.9
184.03702	3.0
195.13785	0.5
202.07735	1.3
203.08496	2.9
205.10045	1.0
221.09663	0.4
231.08035	6.3
245.92220	0.4
255.14430	0.4
259.07513	10.3
367.13574	0.5
385.14294	9.4
391.29105	0.4
413.13751	3.4
423.27344	0.5
567.31219	2.4
567.39221	0.9
586.59473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03152	0.1
53.03939	0.7
55.01889	0.3
55.05508	1.5
57.03426	0.2
65.03915	0.6
67.05497	5.1
68.99789	0.2
69.03422	1.1
69.07050	0.6
71.04974	0.4
71.52775	0.2
79.05492	1.9
80.02644	0.3
80.03055	0.2
81.03410	3.2
81.07053	2.8
83.04988	0.8
83.08602	0.8
85.02881	0.5
85.06529	0.3
91.05460	1.1
93.03388	0.5
93.07041	2.1
94.04171	0.2
95.01329	0.5
95.04957	2.3
95.08591	1.0
97.02858	0.5
97.06519	0.7
97.10143	0.6
98.67216	0.2
99.04466	0.2
105.07051	0.8
107.04937	0.2
107.08564	1.2
109.02859	0.6
109.06513	0.3
109.10144	2.4
111.04438	1.5
111.08085	0.4
117.07012	0.4
119.08566	0.8
121.02839	0.4
121.10118	0.7
122.03661	0.2
123.04421	0.5
123.11684	0.2
125.05984	1.3
125.09589	0.3
127.03867	0.4
131.08545	0.5
133.10104	0.6
135.11685	0.4
138.03107	3.2
141.05478	0.5
145.10133	0.3
147.11710	0.3
149.13232	0.5
151.03841	0.8
153.05449	0.5
155.03320	0.2
155.07050	0.3
155.08472	0.2
159.11713	0.4
166.02599	2.1
171.11662	0.2
173.11717	0.8
173.13170	0.3
177.12770	0.2
178.07678	0.4
181.04936	100.0
182.05261	1.0
183.11694	0.2
184.03653	3.4
189.11160	0.3
190.07735	0.4
195.13855	0.3
202.07776	0.5
203.08559	1.3
204.09291	0.4
205.10114	3.5
215.08430	0.2
221.09633	0.3
229.14345	0.2
231.08011	1.7
259.07541	0.9
269.17294	0.2
275.16260	0.2
299.14868	0.4
339.18021	0.2
355.17465	0.2
385.14337	1.0
413.13806	7.7
414.14020	0.2
423.27466	0.5
444.20154	0.2
545.00232	0.2
566.43274	0.2
567.31506	4.5
567.39331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.05497	0.6
57.03426	0.2
65.03917	0.7
67.05499	1.9
68.99770	0.2
69.03409	0.6
69.07043	0.4
71.04997	0.2
71.52741	0.2
79.05489	0.8
79.32400	0.2
80.02633	0.2
81.03409	1.1
81.07049	1.5
83.04966	0.4
83.08575	0.4
85.02865	0.2
91.05466	1.2
93.03383	0.6
93.07018	1.6
95.01322	0.6
95.04960	1.9
95.08611	0.8
97.06521	0.3
97.10152	0.2
99.04436	0.3
105.07014	1.1
107.04948	0.2
107.08589	1.2
108.02111	0.2
109.02854	0.4
109.06501	0.4
109.10146	1.3
111.04419	0.9
111.08104	0.2
117.06981	0.3
119.08565	1.3
120.53402	0.2
121.02841	0.4
121.10131	1.0
122.03620	0.3
123.00727	0.1
123.04407	0.4
123.11690	0.2
125.02275	0.2
125.05959	1.0
127.03857	0.2
129.06937	0.3
131.04924	0.2
131.08540	0.3
133.10127	1.0
135.08083	0.2
135.11690	0.8
137.02251	0.2
138.03098	3.1
141.05347	0.3
143.08517	0.4
144.09315	0.2
145.06396	0.2
145.10130	0.8
147.11658	0.4
149.13203	0.2
151.03877	0.8
153.05452	0.4
155.03387	0.2
156.09427	0.2
157.10120	0.5
159.11688	0.6
161.09593	0.2
161.13181	0.2
166.02608	2.2
169.10027	0.3
171.11674	0.3
173.11800	0.2
173.13217	0.3
175.14758	0.4
178.07799	0.2
179.08549	0.3
181.04933	100.0
182.05257	1.0
183.11699	0.2
184.03624	3.3
185.13197	0.3
187.14795	0.3
189.29272	0.2
190.07780	0.4
195.11771	0.2
195.13673	0.2
197.13124	0.2
198.39842	0.1
199.14833	0.2
201.16429	0.3
202.07767	0.6
203.08571	1.6
204.09308	0.4
205.10115	4.0
209.13225	0.4
215.08574	0.3
231.08038	1.9
233.13139	0.2
245.13322	0.2
247.14694	0.2
259.07578	0.9
314.07196	0.2
350.49258	0.2
385.14441	1.1
413.13803	8.2
423.27039	0.2
549.40643	0.4
567.32184	1.3
567.40326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
57.03441	5.7
61.02916	1.8
68.03405	0.8
69.03424	5.4
69.59827	1.0
69.60186	6.0
71.01337	1.8
73.02921	7.1
79.05486	1.0
81.03412	2.2
81.07032	2.0
83.04990	1.2
85.02888	5.7
87.04474	0.9
87.24929	0.8
91.05449	1.4
93.07034	1.9
95.04966	2.1
97.02888	6.6
97.06553	1.0
99.04440	1.0
105.07008	1.8
107.08591	1.1
109.06519	1.2
115.03942	5.0
119.08543	1.4
123.04394	1.3
125.05997	1.0
127.03915	2.4
133.04947	5.5
135.04691	1.9
137.02313	6.1
137.05978	1.1
147.04474	1.4
149.02327	1.2
150.58313	0.8
153.01836	4.3
165.01852	2.4
167.07010	2.8
168.07364	0.9
173.05920	1.6
175.04037	1.0
177.09163	1.0
181.05008	2.0
183.80443	0.8
199.11108	0.8
201.05403	1.4
207.06425	1.5
219.02919	1.0
229.04915	4.1
253.14412	1.0
257.04459	3.1
274.04718	1.2
285.04019	1.2
302.04254	0.9
303.04965	100.0
304.05182	1.5
315.05023	6.7
316.05856	1.1
327.04892	2.7
329.06461	1.5
341.06512	2.0
345.06000	7.0
353.06415	1.8
369.05966	6.3
380.44089	1.0
381.05823	2.3
399.07040	7.8
417.08075	4.0
417.13779	1.0
435.09195	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	567.1336
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
54.29711	1.0
55.01861	3.6
57.03441	7.0
59.04983	1.6
61.02910	1.8
69.03424	6.8
71.01341	1.9
71.04985	1.5
71.13257	2.4
73.02903	4.7
79.05490	1.5
81.03386	2.2
81.07035	1.4
83.04978	1.3
85.02894	7.2
87.04410	1.2
91.05460	1.0
93.07027	2.2
95.04945	2.3
97.02866	4.9
97.06570	1.5
99.08136	1.0
100.11191	1.4
105.07030	1.5
107.04904	1.4
107.08595	1.3
108.05309	0.9
108.99030	1.0
109.02896	2.6
109.03674	0.9
115.03933	4.6
121.02836	1.8
121.06509	2.4
121.10130	1.4
123.02052	1.2
123.04428	1.2
127.03863	2.4
133.04926	4.7
133.67976	1.0
135.04613	1.6
135.08046	1.0
137.02338	6.1
137.05969	3.4
138.03189	0.9
145.10130	1.5
147.04402	1.6
153.01822	3.5
161.05986	1.3
163.03961	1.8
165.01817	1.8
167.07082	3.7
181.05006	2.7
183.02858	1.1
184.24239	1.0
189.05437	1.3
198.07317	1.1
201.05414	1.7
209.16524	1.3
229.04988	6.0
233.08105	1.0
235.13179	1.7
253.14265	1.7
254.79611	1.1
257.04489	2.8
285.03925	1.6
303.04965	100.0
304.05164	1.6
315.04947	10.0
327.04706	2.0
329.06216	1.1
341.06461	3.6
345.06100	8.0
353.06442	2.3
357.06033	1.7
369.05945	7.8
381.05865	4.6
399.06967	8.4
410.80542	1.4
417.07999	3.8
435.09244	10.7
566.42682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.1
55.01859	6.5
55.05505	13.4
57.03420	5.0
57.07073	13.0
58.29443	2.8
61.58960	2.7
66.91545	3.7
67.05501	30.1
69.03440	4.3
69.07068	17.4
71.08609	4.8
71.53295	3.7
78.23795	3.0
78.29313	3.4
79.05502	17.6
81.03426	4.6
81.07047	40.0
83.05002	7.1
83.08611	7.4
91.05470	31.2
93.07050	36.1
95.04967	13.1
95.08612	31.1
97.06517	7.3
97.10162	3.1
105.07030	53.5
107.04938	3.4
107.08580	33.5
108.73852	3.0
109.06525	8.4
109.10134	18.9
115.05417	3.7
117.07021	11.8
119.08566	53.9
121.06506	6.5
121.10136	41.7
123.04442	8.3
123.08065	5.4
123.11696	5.8
125.06044	3.9
128.06261	7.3
129.07034	6.6
131.08571	22.0
133.10114	33.9
135.08058	7.6
135.11700	12.5
137.09618	5.3
141.07002	4.3
142.07787	13.1
143.08566	24.7
143.89471	3.0
145.10107	35.9
147.08061	8.2
147.11647	6.7
149.09634	4.8
151.07532	5.8
155.08600	10.6
156.09360	13.1
157.10123	32.2
158.10934	5.1
159.11662	20.8
163.11223	7.2
165.07004	6.5
165.09142	14.0
167.08517	7.4
167.10724	10.2
168.09354	4.3
169.10121	14.8
170.10919	4.5
171.11668	18.2
173.13292	14.0
175.14900	5.4
179.08609	8.8
180.09361	4.1
181.10127	6.3
181.12251	4.3
182.10934	4.8
183.11656	18.9
184.12439	4.0
185.13254	12.9
193.10097	10.9
193.11922	3.2
194.10989	3.3
195.11673	15.8
196.12425	3.9
197.13286	12.6
199.14842	11.2
203.14316	6.7
207.11737	14.7
207.13600	3.3
209.13283	14.9
210.14166	2.9
211.14841	7.3
213.16431	5.6
217.10112	3.7
219.11723	4.6
221.13271	13.8
221.15421	26.1
223.14880	9.8
225.16350	5.4
231.11629	4.0
232.12692	3.4
233.13255	9.8
234.13924	3.9
235.13229	9.0
235.15199	4.8
237.16454	3.7
239.17999	4.4
244.12485	3.4
245.13220	4.4
246.13997	4.0
247.14771	5.8
249.16505	3.5
251.18066	5.9
259.14801	6.0
261.16348	5.9
263.17963	5.4
265.19528	8.5
273.16290	3.8
273.63885	3.1
275.17981	5.5
280.90103	2.7
287.17932	3.5
295.20526	3.6
309.16891	7.6
313.27405	10.1
315.04999	21.6
331.24301	4.8
345.09750	16.4
468.62753	3.7
473.34125	9.6
501.09546	4.8
509.34375	3.7
547.39502	14.3
565.27753	12.8
565.40509	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	565.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01862	7.6
55.05508	28.4
57.03433	10.8
59.04987	6.1
65.03939	3.9
67.05505	100.0
67.09972	1.5
69.03122	1.7
69.03429	14.8
69.07070	7.8
71.04987	7.0
71.52039	2.0
79.05491	32.4
81.03415	64.3
81.07056	38.4
83.04980	11.5
83.08615	19.6
85.02900	11.3
85.06526	4.8
91.05478	43.3
93.07038	26.1
95.04971	37.4
95.08601	16.5
97.02902	14.4
97.06534	6.4
97.10158	12.5
99.04443	3.0
103.05483	4.3
105.07029	27.8
107.04952	14.9
107.08601	18.0
109.02881	26.2
109.06521	6.4
109.10154	63.9
111.04453	12.6
111.08078	6.6
115.05451	5.5
117.06992	13.4
119.04953	5.5
119.08579	25.1
121.02849	3.2
121.06506	13.2
121.10147	12.4
123.04427	8.9
123.08057	3.9
123.11710	1.6
125.02355	4.8
125.09624	12.0
127.03931	10.7
127.38324	1.4
128.06221	1.9
129.07013	12.4
131.04958	6.9
131.08534	13.8
133.06532	7.4
133.10139	17.1
135.04391	2.8
135.08076	5.8
135.11697	6.0
137.02338	2.1
137.05991	6.1
137.09599	5.1
141.07002	3.0
143.08553	6.4
145.06477	11.6
145.10115	11.0
147.04419	5.3
147.08090	6.6
147.11667	13.1
149.06023	7.4
149.09622	3.9
151.11264	2.1
153.09056	2.5
155.08620	3.5
155.10646	3.3
157.06493	4.6
157.10167	8.9
159.08101	3.2
159.11732	3.3
161.05980	8.0
161.09625	7.0
161.13281	2.8
163.07492	2.0
163.11174	7.4
169.10124	2.7
171.04500	3.9
171.08017	3.8
171.11734	2.7
173.04564	1.9
173.05989	6.0
173.09590	2.8
173.11746	17.6
173.13190	2.5
174.06804	2.6
175.03940	1.9
175.11209	7.0
177.05553	1.8
177.12766	1.6
181.10078	2.3
183.08159	2.2
187.07565	4.3
189.05515	7.1
189.09415	1.8
189.11230	9.1
189.12755	3.0
191.10771	2.0
193.12248	15.9
197.09583	1.9
199.07640	1.5
199.14975	2.0
200.84856	1.5
203.10635	3.6
205.12267	4.3
207.13815	1.7
209.13324	2.6
211.13210	10.7
213.12846	2.0
217.12314	2.5
223.13202	2.5
227.10742	1.7
227.12767	5.2
229.14317	19.7
233.15240	2.0
235.13258	4.3
245.13651	2.9
247.13345	2.0
249.14806	2.4
255.13754	1.8
259.13284	2.8
259.20517	2.4
263.12976	2.2
267.16043	2.2
271.13174	3.8
273.14859	26.1
281.16843	1.5
283.13297	4.1
285.14941	4.4
291.15933	4.8
297.94678	1.9
299.15073	3.7
301.14328	26.0
303.16092	4.3
313.16501	2.3
319.15341	15.9
333.24207	2.6
337.16559	3.6
355.17874	2.8
375.18008	7.2
393.19159	6.6
421.25790	2.8
439.27020	8.6
487.27148	2.0
491.26675	2.6
500.49832	1.7
505.28247	1.9
517.28027	5.6
529.28143	22.7
547.28955	23.5
547.36871	2.4
565.30139	55.7
566.30255	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	565.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39734	0.4
53.03924	0.8
55.01862	0.9
55.05511	9.0
57.03424	0.7
59.04982	1.8
61.02911	1.5
67.05489	0.5
68.99795	0.6
69.03426	3.4
69.60381	2.1
71.04970	0.9
73.02901	0.7
78.56764	0.3
79.05474	0.9
81.03411	4.2
81.07047	0.7
83.04974	10.6
85.02906	7.2
85.93783	0.4
91.03957	0.6
91.05476	0.8
93.07021	0.7
95.04961	1.6
95.08612	0.6
97.02889	4.0
97.06525	0.5
99.04440	1.2
101.06005	0.8
103.03886	0.4
103.05418	0.6
105.07036	1.0
107.04952	0.8
107.08556	0.8
109.02895	2.3
109.03513	0.4
111.00784	0.9
121.02834	0.9
121.06467	0.8
123.04425	1.3
125.05968	1.0
126.40984	0.4
127.03902	4.4
133.06497	0.5
135.04378	0.6
137.02354	3.4
137.05956	1.4
145.02858	1.0
145.04991	2.6
145.06433	1.2
147.04318	0.9
149.02324	0.5
149.05927	0.7
153.01819	4.9
155.04926	0.8
155.07034	0.5
159.04512	0.4
161.05969	0.7
163.03915	1.4
163.07553	0.5
163.61514	0.5
165.01759	2.1
167.07018	2.9
173.05952	0.9
177.05420	2.2
181.04985	3.4
183.02853	1.1
187.06062	2.4
193.08699	0.6
195.02919	0.4
201.05492	2.3
205.07042	1.4
207.06517	0.7
215.07098	0.4
219.06438	0.6
227.09143	3.1
229.04939	4.5
233.11652	0.6
234.08571	0.8
235.09546	0.5
245.10298	2.5
247.06038	0.7
257.04401	2.8
271.09500	0.5
274.04669	1.0
285.03903	1.4
287.09113	0.4
299.09091	0.6
302.04175	0.6
303.04971	100.0
304.05222	0.9
315.04953	0.9
317.06564	1.6
327.04904	0.9
345.05981	2.0
369.05835	0.7
387.14334	0.5
411.07297	0.5
415.13831	1.3
483.32104	0.5
507.39725	0.4
565.17249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54758	3.7
53.03933	5.8
55.01862	6.4
55.05494	14.0
57.03437	16.9
61.02917	5.3
67.05188	4.3
67.05505	53.3
67.27089	3.4
69.03415	9.6
69.07058	27.3
69.17055	18.9
69.17480	22.2
71.04977	7.8
79.05495	45.6
81.03404	11.3
81.07053	74.4
81.19207	4.0
83.04971	11.4
83.08594	9.8
85.02866	10.7
85.06531	6.0
86.09658	3.6
87.10151	4.1
89.27055	3.9
89.85545	3.2
91.05464	37.7
93.07042	58.5
95.04958	16.1
95.08607	33.1
97.02850	11.4
97.06515	16.4
97.10160	8.0
100.68395	3.2
105.07011	26.5
107.08580	37.1
109.02931	6.0
109.06528	4.5
109.10154	20.3
111.08065	7.4
117.06984	15.6
119.07875	3.8
119.08582	28.4
121.06503	4.5
121.10129	24.5
123.04377	4.1
123.08029	4.7
123.11662	4.0
126.54777	3.3
127.03890	4.6
129.07016	3.9
131.08562	14.2
131.42384	3.6
133.10132	23.2
135.08032	5.4
135.11696	24.1
137.09546	5.5
145.06468	4.9
145.10092	17.4
146.10397	4.1
147.04340	4.4
147.11694	7.9
149.09595	10.9
149.13234	14.5
151.07547	4.4
152.33339	4.1
157.10112	6.0
159.11722	22.6
161.09579	4.8
163.11102	6.1
169.10136	4.3
171.07976	4.0
173.13281	6.4
177.05560	4.2
177.12715	23.9
179.14243	4.3
195.13838	7.6
197.13211	4.2
219.32101	3.4
251.16423	4.3
255.15869	41.5
257.18817	4.8
269.17474	100.0
275.20035	19.0
282.90100	3.9
349.23740	43.0
367.24640	16.5
472.19736	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31547	4.2
55.01880	8.8
55.05504	24.0
57.03425	29.3
61.02922	7.4
67.05507	71.4
69.03443	11.0
69.07069	32.1
69.49045	36.6
71.04993	6.8
73.02888	8.6
79.05486	56.7
81.03414	20.3
81.07055	100.0
83.04976	16.6
83.08615	21.4
85.02889	19.4
85.06542	5.6
91.04943	6.1
91.05467	44.4
93.07040	74.3
95.04960	17.2
95.08614	33.0
97.02866	12.6
97.06525	23.8
97.10172	8.0
98.20812	9.3
102.64059	3.9
105.07021	35.0
107.04978	10.9
107.08591	35.6
109.06544	8.4
109.10146	25.1
111.08060	5.1
115.57270	4.3
117.07001	12.7
119.08567	34.0
121.06466	11.4
121.10139	29.4
123.08054	6.9
123.11721	7.1
127.03909	8.8
131.08588	21.1
133.10114	26.4
135.08061	5.8
135.11649	25.1
137.09615	6.4
143.08545	6.0
145.05008	8.9
145.10114	22.6
147.11699	16.0
149.09610	21.6
149.13242	18.6
159.11684	30.5
161.13249	6.1
163.06136	5.4
163.07422	5.0
163.11177	16.2
167.07123	6.2
171.11749	5.8
173.13309	8.6
177.12799	25.1
177.14108	4.2
179.14305	8.4
183.11632	5.5
195.13667	5.8
205.19536	11.7
255.15878	41.0
257.19092	12.4
267.15887	5.5
269.17459	97.7
275.20020	27.2
287.82556	4.3
349.23685	64.6
367.24652	20.8
417.21109	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78111	2.3
53.03931	5.4
54.96458	2.5
55.01855	6.6
55.05507	28.5
57.03431	27.1
57.07063	4.4
58.59248	2.3
58.75465	2.2
60.20970	2.0
61.02922	18.5
65.03914	2.5
67.05500	79.6
69.03429	15.0
69.07064	30.2
69.50597	19.5
71.04971	6.7
73.02898	8.3
77.03967	2.2
77.04436	2.2
79.05490	80.2
81.03419	14.4
81.07047	88.4
83.04966	15.0
83.08624	14.4
85.02896	22.9
85.06524	7.5
91.03951	12.0
91.05469	67.6
93.07035	100.0
95.04966	14.3
95.08598	48.2
97.02893	18.3
97.06522	18.2
97.10165	3.8
99.04411	4.2
99.08083	6.9
103.05453	2.7
105.07020	63.7
107.04943	6.5
107.08588	51.8
109.02872	5.3
109.06502	5.9
109.10135	18.1
111.08067	8.5
117.07026	23.1
119.08570	56.5
121.06531	5.9
121.10132	34.9
123.08028	6.7
125.09598	2.7
127.03898	8.1
127.99876	2.4
128.06189	3.2
128.64246	2.3
129.05443	6.0
129.07008	5.9
131.08546	27.5
133.10115	55.8
135.08020	5.7
135.11674	30.2
137.09531	2.5
143.08556	11.2
145.04935	4.0
145.10106	18.3
147.11673	37.5
149.09552	13.4
149.13251	35.5
151.11101	3.6
153.09018	2.4
157.10095	10.0
159.11685	22.3
161.13235	22.5
163.11140	6.8
163.14851	4.2
171.11635	9.4
173.13268	10.9
175.14796	8.3
177.12718	11.4
179.14302	3.0
183.11739	3.5
185.13237	8.3
187.14719	4.7
189.12717	4.7
195.13757	8.7
199.14761	5.6
219.13666	3.1
231.21025	3.4
241.19499	15.4
247.20676	3.0
257.18802	5.2
259.20554	53.7
259.23129	4.9
265.38174	2.4
269.17465	67.0
275.19943	14.0
277.21545	8.2
281.17340	2.2
333.24161	7.4
349.23615	7.7
351.25287	66.2
383.77808	2.2
436.43149	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01858	7.1
55.05510	43.6
57.03436	16.4
57.07079	9.2
67.05504	93.7
69.03423	4.3
69.07063	33.1
69.45196	23.5
71.04967	5.3
71.08632	10.6
71.48158	3.2
79.05479	45.2
81.03419	15.6
81.07054	75.0
82.07380	3.3
82.17759	2.6
83.04975	9.8
83.08612	25.4
85.06529	6.6
91.05473	54.8
93.07035	57.1
94.07380	5.0
95.04949	16.4
95.08611	51.5
97.06528	12.5
97.10164	19.4
99.08072	6.8
103.05454	4.0
105.07021	57.4
107.04967	7.0
107.08585	39.4
109.06519	6.8
109.10153	32.5
111.04469	2.7
111.08070	11.3
111.35422	2.7
117.07017	21.5
119.08580	48.4
121.06535	6.4
121.10130	24.1
123.08108	2.9
123.11704	5.7
125.09644	15.6
128.06248	3.5
129.06972	16.8
131.08546	46.2
133.10110	21.7
135.08054	6.6
135.11702	17.0
137.09613	7.4
137.13226	4.1
141.06970	6.9
143.08563	14.9
145.06520	3.1
145.10133	35.4
147.11693	19.4
149.09618	9.0
149.13281	8.5
151.11174	4.8
154.07692	3.0
155.08562	11.8
157.10138	18.8
159.11719	16.5
161.09628	3.1
161.13274	9.4
163.11145	5.2
165.12773	3.9
167.08553	3.5
169.10144	12.7
170.20590	2.7
171.11655	9.7
173.09621	3.6
173.11813	5.7
173.13263	8.3
175.11153	5.7
175.14848	8.7
177.12735	2.8
181.10086	4.8
183.11740	8.7
185.13240	7.4
187.14806	9.2
189.11234	8.5
189.16360	4.3
193.12233	9.5
195.11803	3.5
195.13773	3.0
197.13283	8.6
199.14842	8.3
201.16321	6.0
209.13353	5.9
211.13147	5.8
211.14964	4.2
213.16446	5.1
215.14435	3.6
215.18121	3.1
217.15952	3.2
223.13048	3.3
225.16542	4.0
227.12665	17.1
227.17902	4.3
229.14334	11.2
249.14980	2.9
261.22028	4.2
263.20047	3.9
267.15869	6.2
277.21619	3.9
281.22623	6.1
299.23639	6.3
301.25305	8.4
317.24802	7.8
335.25961	6.1
341.24814	5.3
355.26163	4.3
407.33112	4.6
417.31201	3.2
425.33841	6.2
435.32434	20.4
445.29199	4.4
453.33841	20.2
471.34775	20.7
489.35468	7.5
509.36029	4.2
519.36145	4.7
527.37183	47.0
545.38391	100.0
546.39197	4.3
563.39362	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34578	2.6
53.03950	5.8
55.01867	9.8
55.05512	43.5
56.93812	2.2
57.03439	13.8
57.07076	11.1
65.03953	6.2
67.05504	91.8
69.03420	6.3
69.07069	38.2
69.39552	22.3
71.04989	9.4
71.08631	6.2
79.05495	60.7
80.05795	2.5
81.03417	19.0
81.07053	79.2
82.07398	3.9
83.04992	7.7
83.08617	30.3
85.06551	8.9
87.04489	3.1
91.05481	56.3
92.05791	4.0
93.07044	58.5
95.04970	18.6
95.08611	52.0
97.06533	13.9
97.10155	26.4
99.08104	10.5
105.07027	59.9
105.07698	5.1
107.04974	7.6
107.08595	43.0
108.08913	2.9
109.06513	9.2
109.10155	31.3
111.04450	4.1
111.08085	8.0
115.05487	3.2
117.07016	24.1
119.08584	51.8
121.06477	6.0
121.10166	25.1
123.08031	4.5
123.11710	7.1
125.05992	2.9
125.09626	17.6
128.06219	6.1
129.06979	14.0
131.08560	40.1
132.08810	3.1
133.06451	2.5
133.10126	26.7
135.08031	8.1
135.11685	19.4
137.09627	5.3
137.13257	3.1
139.11179	4.6
141.07050	5.2
143.08553	22.4
144.09436	2.5
145.06432	3.0
145.10120	33.0
147.08026	5.2
147.11713	19.8
149.09653	7.5
149.13255	9.9
151.11142	4.2
155.08571	12.4
157.10139	19.4
159.08064	3.9
159.11685	16.0
161.09625	2.9
161.13272	9.7
163.11176	8.0
163.14844	2.6
167.08572	3.7
169.10144	9.5
171.11696	12.6
173.11783	6.0
173.13287	11.2
175.14871	8.6
179.14346	4.0
181.10132	6.5
183.11725	6.6
185.13280	10.4
187.14827	6.5
189.11218	9.8
189.16341	5.9
191.14331	2.8
193.10440	2.8
193.12277	8.6
195.11710	5.5
195.13686	2.7
197.13307	6.4
199.14842	6.3
201.16418	6.3
203.14322	3.6
205.15813	3.0
209.13257	4.6
211.14911	6.2
212.13676	3.0
213.16467	5.6
215.17995	5.4
217.15930	2.6
221.13124	2.7
223.14813	3.3
225.16391	2.7
227.12775	11.6
227.18050	3.6
229.14363	5.4
235.14720	3.2
241.19527	4.6
245.14049	2.8
259.20560	5.5
261.22156	4.2
267.15915	6.2
269.17545	4.7
275.20114	3.6
277.21655	5.5
291.19849	3.1
299.23792	6.9
301.25320	8.1
303.23227	4.2
317.24799	5.8
327.23203	3.5
335.25812	5.5
337.25348	5.3
355.26212	5.1
407.32944	5.5
417.31525	5.4
425.34552	4.4
435.32544	21.9
445.29361	3.0
453.33676	16.0
471.34509	18.7
489.35260	6.9
509.36270	2.8
519.36877	4.9
527.37299	44.4
545.38354	100.0
546.38086	3.6
563.39459	36.7
574.55359	2.8
592.73676	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01862	11.8
55.05274	3.9
55.05511	46.8
55.51138	2.6
57.03437	15.8
57.07068	8.2
59.04955	2.7
65.03914	4.4
65.30740	2.7
67.05506	99.3
69.03421	8.8
69.06725	4.6
69.07065	45.4
69.33927	9.0
69.34353	16.4
70.07374	3.3
71.04977	8.5
71.08617	6.0
79.05494	59.2
80.05772	2.9
80.13617	2.7
81.03407	15.5
81.06608	5.4
81.07060	95.0
82.07413	2.9
83.04976	12.2
83.08607	32.8
85.06541	8.5
85.14095	3.2
86.11121	3.1
88.03009	2.7
91.05478	54.8
92.05772	3.4
93.07043	63.2
94.07375	4.0
95.04972	16.4
95.08608	51.5
95.09199	5.4
97.06544	21.3
97.10172	26.1
97.19714	3.0
98.06895	2.6
98.09692	41.2
99.08060	5.5
99.10020	10.1
103.05414	3.1
105.07029	58.8
106.07374	3.1
107.04945	6.0
107.08589	44.6
108.08891	4.1
109.06516	7.1
109.10153	34.2
111.08052	6.5
117.07014	24.1
119.08588	49.3
121.06564	3.1
121.10131	29.7
123.08064	6.2
123.11710	10.3
125.09631	23.8
128.06242	3.4
129.07031	14.8
131.08557	40.6
133.10121	26.2
135.08035	8.5
135.11679	12.7
137.09595	5.0
139.11130	5.6
141.06989	7.0
142.12263	5.1
143.08568	16.4
145.10120	31.9
147.08058	4.9
147.11661	15.6
149.09607	7.0
149.13248	13.1
151.11124	7.6
155.08524	10.2
157.10081	17.8
159.11716	15.5
161.13242	13.1
163.11139	6.2
163.14806	3.6
167.08492	3.5
169.10118	9.2
171.11693	10.9
173.09604	4.5
173.11844	6.3
173.13252	10.1
175.11223	4.4
175.14848	9.3
177.12732	3.7
178.06134	2.9
181.10104	3.3
183.11777	5.7
185.13245	9.2
187.14780	10.9
189.11186	10.6
189.16277	3.6
193.12306	3.6
195.11769	4.3
195.13690	3.5
196.07349	31.7
196.16881	5.0
197.07632	10.2
197.13170	7.2
199.14798	7.8
201.12831	3.5
201.16338	5.0
209.13164	3.2
211.14903	4.2
213.16518	5.2
221.13252	3.7
225.16408	5.4
227.12843	16.9
229.14264	7.8
245.13716	4.8
245.19049	3.9
248.44177	3.4
253.14319	7.6
261.22171	3.6
267.15918	6.8
269.17438	13.5
270.17801	14.9
271.15265	3.0
275.19983	9.0
279.23273	3.8
287.23682	4.6
289.21783	3.5
294.14609	9.8
295.15024	7.9
299.23636	4.1
301.25278	10.1
311.24033	6.8
314.30527	3.8
317.24609	5.8
327.23364	3.8
345.09543	3.9
355.26398	5.6
367.26736	3.5
385.27417	4.5
407.32938	3.8
417.31253	7.6
425.34302	4.3
435.32651	16.9
447.23227	8.6
453.33762	19.2
464.23764	10.2
465.24292	36.9
465.34253	7.6
471.34662	22.2
483.34924	4.1
489.35654	8.4
506.83868	3.4
509.35916	8.0
519.36749	3.8
527.37341	44.3
530.51599	3.3
540.56482	3.0
545.38367	100.0
546.38812	4.9
563.31439	19.4
563.39117	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01868	8.8
55.05270	3.8
55.05513	41.8
57.03425	10.6
57.07064	4.9
65.03925	6.5
67.05505	98.2
69.03423	3.6
69.07073	24.2
69.54366	16.9
70.13034	2.1
71.04983	8.9
74.66476	2.2
79.05493	62.0
81.03419	21.2
81.07056	100.0
81.07538	5.4
83.04980	12.3
83.08617	26.8
85.02899	9.2
85.06544	5.5
86.30858	2.6
91.05483	52.4
93.07040	63.0
95.04964	16.8
95.08601	66.8
96.08902	2.4
96.89351	2.3
97.06543	12.9
97.10159	18.5
98.10478	2.1
99.08119	5.1
105.07027	48.2
107.04935	3.5
107.08592	44.0
109.06512	7.6
109.10152	37.4
111.04424	7.7
111.08094	12.3
112.67633	2.3
113.09632	3.2
117.07008	23.1
119.08575	43.0
121.06519	4.1
121.10133	30.9
123.08035	3.4
123.11718	15.2
125.09619	12.7
129.06984	14.9
131.08565	33.8
133.06490	3.2
133.10127	35.8
135.11691	24.0
137.09637	6.1
137.13246	4.0
141.06975	4.3
142.07788	3.6
143.08554	11.9
145.10104	30.8
146.10561	2.5
147.08043	3.8
147.11685	28.6
149.09627	6.9
149.13248	10.7
151.11133	6.1
153.12798	4.8
155.08607	4.5
157.10098	16.2
159.11700	21.0
161.13263	9.0
163.11151	8.9
165.12796	3.2
165.74120	2.3
167.08527	2.6
169.10135	7.4
171.11656	9.9
173.11848	3.4
173.13258	14.9
175.11226	8.1
175.14838	4.2
177.12711	3.5
181.10184	4.5
181.12286	5.3
183.11772	6.1
185.13297	9.5
187.13292	3.0
187.14861	7.7
189.11223	8.9
191.14287	3.2
193.12256	21.4
195.11853	2.6
197.13319	3.7
199.14830	5.8
201.16368	4.2
209.13185	3.4
211.13261	32.5
211.15002	2.9
213.14667	2.6
213.16472	3.0
223.14812	3.9
227.12744	15.4
229.14249	3.4
259.20404	2.9
261.18518	2.5
261.22150	15.5
267.16025	4.3
273.22330	2.4
275.20016	2.8
277.21533	3.4
279.23215	5.0
283.15576	2.8
285.16940	14.8
285.21997	6.6
299.23767	6.2
301.21692	4.4
301.25208	4.0
303.23151	11.1
317.24817	7.5
327.23029	4.1
335.25677	19.1
351.25031	2.5
359.25751	6.7
417.31140	5.4
429.29837	2.9
433.29602	3.2
435.32446	14.6
447.30771	2.8
453.33945	11.8
471.34833	15.9
473.32898	3.8
487.33908	7.3
489.35541	4.6
491.34460	2.7
509.36191	4.7
527.37305	37.5
545.38385	90.2
563.39459	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01868	8.8
55.05270	3.8
55.05513	41.8
57.03425	10.6
57.07064	4.9
65.03925	6.5
67.05505	98.2
69.03423	3.6
69.07073	24.2
69.54366	16.9
70.13034	2.1
71.04983	8.9
74.66476	2.2
79.05493	62.0
81.03419	21.2
81.07056	100.0
81.07538	5.4
83.04980	12.3
83.08617	26.8
85.02899	9.2
85.06544	5.5
86.30858	2.6
91.05483	52.4
93.07040	63.0
95.04964	16.8
95.08601	66.8
96.08902	2.4
96.89351	2.3
97.06543	12.9
97.10159	18.5
98.10478	2.1
99.08119	5.1
105.07027	48.2
107.04935	3.5
107.08592	44.0
109.06512	7.6
109.10152	37.4
111.04424	7.7
111.08094	12.3
112.67633	2.3
113.09632	3.2
117.07008	23.1
119.08575	43.0
121.06519	4.1
121.10133	30.9
123.08035	3.4
123.11718	15.2
125.09619	12.7
129.06984	14.9
131.08565	33.8
133.06490	3.2
133.10127	35.8
135.11691	24.0
137.09637	6.1
137.13246	4.0
141.06975	4.3
142.07788	3.6
143.08554	11.9
145.10104	30.8
146.10561	2.5
147.08043	3.8
147.11685	28.6
149.09627	6.9
149.13248	10.7
151.11133	6.1
153.12798	4.8
155.08607	4.5
157.10098	16.2
159.11700	21.0
161.13263	9.0
163.11151	8.9
165.12796	3.2
165.74120	2.3
167.08527	2.6
169.10135	7.4
171.11656	9.9
173.11848	3.4
173.13258	14.9
175.11226	8.1
175.14838	4.2
177.12711	3.5
181.10184	4.5
181.12286	5.3
183.11772	6.1
185.13297	9.5
187.13292	3.0
187.14861	7.7
189.11223	8.9
191.14287	3.2
193.12256	21.4
195.11853	2.6
197.13319	3.7
199.14830	5.8
201.16368	4.2
209.13185	3.4
211.13261	32.5
211.15002	2.9
213.14667	2.6
213.16472	3.0
223.14812	3.9
227.12744	15.4
229.14249	3.4
259.20404	2.9
261.18518	2.5
261.22150	15.5
267.16025	4.3
273.22330	2.4
275.20016	2.8
277.21533	3.4
279.23215	5.0
283.15576	2.8
285.16940	14.8
285.21997	6.6
299.23767	6.2
301.21692	4.4
301.25208	4.0
303.23151	11.1
317.24817	7.5
327.23029	4.1
335.25677	19.1
351.25031	2.5
359.25751	6.7
417.31140	5.4
429.29837	2.9
433.29602	3.2
435.32446	14.6
447.30771	2.8
453.33945	11.8
471.34833	15.9
473.32898	3.8
487.33908	7.3
489.35541	4.6
491.34460	2.7
509.36191	4.7
527.37305	37.5
545.38385	90.2
563.39459	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
67.05485	1.0
69.03416	1.6
69.59849	2.6
69.60262	1.0
79.05487	0.9
81.03406	1.8
81.07055	1.6
85.02875	1.4
85.92313	0.6
86.13226	0.5
89.03920	5.9
91.05474	1.7
93.07015	1.7
95.08600	0.7
97.06543	0.5
98.21541	0.9
99.04445	1.1
105.07017	1.4
107.04946	0.6
107.08572	1.7
109.02848	1.1
117.03378	15.5
119.02284	0.5
119.08566	1.1
121.06509	0.7
121.10181	0.9
123.08066	0.9
127.03883	0.6
134.03627	0.8
135.04391	1.3
135.08032	0.8
137.09604	1.9
145.02835	43.3
145.10124	0.7
149.05942	6.2
161.06001	0.5
163.03885	0.7
167.07034	1.7
171.70102	0.5
175.03828	0.6
177.05467	100.0
178.05826	1.0
186.05467	0.7
189.12740	0.6
195.06500	2.0
201.05656	0.5
207.06636	0.6
229.04791	0.6
321.09741	3.4
325.95813	0.5
339.10757	6.8
351.10434	0.5
390.92575	0.5
445.25833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05499	2.0
57.03435	1.0
58.27719	0.8
65.63375	0.8
67.05490	3.3
69.03421	3.3
69.07066	1.1
71.51196	0.9
74.42950	0.9
75.11774	0.8
79.05491	1.0
81.03416	4.1
81.07045	4.0
82.18197	0.8
83.04993	1.2
83.69291	0.9
85.02890	2.7
85.06530	1.5
85.07669	1.1
89.03891	5.2
91.05463	2.8
91.51549	0.8
92.80482	0.8
93.07033	3.9
95.04964	1.1
95.08614	4.3
95.22189	0.8
97.02876	1.4
97.06490	1.2
99.04456	1.9
104.17216	0.7
105.07013	3.6
107.04945	1.2
107.08579	3.2
109.02872	2.8
109.06533	1.4
109.10126	2.8
111.04439	1.0
117.03378	14.1
119.04913	1.0
119.08572	3.7
121.06501	1.5
121.10140	3.3
123.04461	1.4
123.08060	1.8
123.11714	1.5
125.05949	1.2
125.09634	1.5
127.03896	2.6
131.05005	0.8
131.08557	1.0
133.02846	1.6
133.10101	2.1
134.03650	1.9
135.08107	1.3
137.05974	2.4
137.09583	1.7
139.07500	1.0
145.02834	40.9
145.10086	1.6
147.04384	1.2
147.11646	2.3
149.05984	8.0
149.09552	1.6
157.10161	1.1
161.02316	1.7
163.03915	1.9
165.12723	1.7
167.07089	0.9
177.05458	100.0
178.05841	1.9
181.04929	1.3
186.05544	2.0
187.11151	1.0
189.12733	1.6
193.04945	3.7
195.06514	3.1
197.12958	1.7
203.18066	1.7
207.06459	1.1
207.13776	2.6
209.15472	2.1
285.07559	1.6
285.53882	0.9
303.04883	3.6
303.23248	0.9
317.06595	1.2
321.09796	3.6
339.10727	4.4
343.11838	1.0
563.22565	2.7
563.32056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
67.05486	3.4
69.03428	2.8
69.07062	1.0
71.51479	1.5
79.05460	1.8
81.03408	5.0
81.07049	5.6
83.04974	1.9
85.02898	2.8
85.06575	1.5
85.07634	1.1
88.69191	1.2
89.03914	5.8
91.05446	2.6
93.07019	3.1
95.08607	3.5
97.02869	3.1
97.06514	1.7
101.70127	1.0
105.07014	3.9
107.08578	4.4
109.02870	1.8
109.10148	2.0
115.24859	1.1
117.03384	15.3
119.08567	3.1
121.10142	2.9
123.08076	1.3
127.03901	1.7
131.08598	1.7
133.10097	1.6
135.08041	1.4
137.06000	1.6
139.11098	1.2
145.02838	45.5
147.04411	1.6
147.11714	2.0
149.05991	7.5
149.09622	4.1
159.11774	1.3
159.37106	1.1
161.13297	1.8
163.03900	2.0
173.09647	1.5
177.05461	100.0
178.05847	1.5
186.05559	1.5
189.12753	2.6
193.04913	3.2
195.06509	1.6
205.39635	1.2
207.13805	4.3
209.15384	1.2
214.75508	1.2
303.05084	3.0
317.06549	1.6
321.09589	3.7
339.10773	4.0
527.41217	1.2
563.21185	3.5
563.30878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
63.95309	0.8
69.03421	2.1
69.87688	3.5
78.30695	0.8
79.05507	1.2
81.03423	5.0
81.07054	1.6
85.02910	1.7
88.21701	0.9
89.03902	1.1
89.18411	0.9
91.05470	20.7
97.02890	1.1
105.07030	1.2
107.08523	0.9
109.02856	1.8
117.03381	1.8
119.04929	27.6
145.02853	3.1
147.04391	26.1
149.02386	1.3
149.06073	1.8
157.03955	2.3
164.04697	1.6
175.03893	47.2
177.05461	9.3
179.07014	2.1
207.06509	100.0
208.06891	1.1
225.07640	1.1
351.10699	6.4
369.11823	4.1
563.19965	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	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01872	2.5
55.05521	12.0
55.17961	1.6
57.03431	11.1
67.05499	20.3
69.03410	3.0
69.07059	5.9
69.87164	3.0
69.87574	6.1
71.04995	2.5
79.05073	1.9
79.05495	18.0
81.03414	81.9
81.07049	17.8
83.01538	1.7
83.04978	10.7
83.08621	23.5
85.02901	11.2
88.77794	1.6
91.05479	27.1
93.07040	13.5
95.04964	26.9
95.08607	11.8
97.02888	4.5
97.06525	2.7
97.10165	4.9
98.21499	3.4
99.04422	2.0
105.07037	19.4
107.04953	7.8
107.08576	10.1
109.06518	4.3
109.10140	5.5
111.04475	1.8
111.08061	9.3
115.05484	2.0
117.07027	3.5
119.08577	18.8
121.06488	3.8
121.10138	9.7
123.08068	2.8
125.09597	2.6
129.06963	11.9
131.08565	9.9
133.06468	5.2
133.10117	8.3
134.65981	1.7
135.08095	2.0
145.06485	2.5
145.10150	2.1
147.07999	4.4
147.11670	10.8
149.09636	4.0
157.10133	14.4
165.12709	4.1
171.08049	2.8
175.11194	11.1
179.43214	1.4
189.09401	1.8
189.11218	2.0
193.12234	32.1
211.13266	19.9
249.14833	3.7
255.13872	3.1
267.15900	100.0
268.16083	2.4
273.14990	4.3
285.16965	22.9
349.21640	4.8
367.22699	9.8
385.23804	13.7
403.24838	3.5
410.38730	1.7
433.25903	9.8
441.26276	4.7
459.27368	45.7
477.28317	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	562.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61264	2.6
67.05491	3.0
69.03417	7.3
70.52263	10.2
81.03426	6.3
81.07024	4.6
85.02907	5.5
91.05468	8.9
93.07045	4.4
95.08591	4.2
97.02895	3.2
99.04462	3.3
103.05471	14.0
105.07036	4.9
107.04937	3.7
107.08567	5.3
109.10100	5.6
119.04935	40.4
119.08615	3.8
121.06498	100.0
127.03993	3.3
131.04909	22.7
133.06496	3.0
135.08089	6.0
137.05971	64.3
147.04405	69.3
151.07523	3.4
153.05450	9.3
163.07516	26.5
167.06985	8.5
177.05510	6.4
179.07025	96.9
189.09096	10.0
206.10257	5.1
207.10146	8.5
214.18002	4.1
223.09621	85.4
224.10115	3.0
227.07072	8.2
259.09711	18.8
291.14169	2.7
339.15942	12.1
357.16931	75.5
421.26086	3.9
562.19519	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.8
55.01876	12.0
55.02110	2.8
55.05508	49.9
57.03442	18.0
57.07077	5.8
59.04986	2.7
60.06285	2.0
65.03918	4.1
67.05499	89.3
69.03411	6.5
69.07066	30.3
69.31165	8.4
69.31590	12.3
71.04982	12.5
75.51665	2.0
79.05487	64.7
81.03412	53.2
81.07047	85.9
83.04959	16.8
83.08616	35.4
85.02903	13.2
85.06538	5.9
91.05476	86.9
93.06493	4.2
93.07039	63.8
95.04967	28.9
95.08601	48.8
97.06533	13.6
97.10150	15.2
98.21561	4.6
99.08058	2.6
103.05444	2.8
105.06310	3.8
105.07021	72.4
107.04948	8.0
107.08592	41.7
109.06519	8.0
109.10149	36.3
109.53116	2.1
111.04444	3.9
111.07320	2.1
111.08057	10.8
115.05440	5.5
116.06207	2.6
117.07011	32.3
119.08572	67.1
121.06480	5.2
121.10129	26.7
123.08022	3.1
123.11678	5.2
125.09616	14.6
128.06200	3.9
129.07005	32.2
130.07765	3.7
131.07607	3.7
131.08556	49.4
133.06456	5.0
133.10106	41.9
135.08066	4.8
135.11674	15.7
137.09595	7.0
141.06955	7.4
142.07779	3.8
143.08546	26.2
145.06485	3.1
145.10124	38.0
147.11670	51.7
149.09595	9.5
149.13266	10.3
155.07455	2.5
155.08553	16.4
156.09389	2.6
157.10121	33.7
159.08134	2.8
159.11670	29.6
161.09665	3.6
161.11977	3.4
161.13240	32.3
163.11168	8.6
163.14752	2.3
165.12756	2.8
167.08604	3.1
169.10069	13.9
171.11661	25.1
173.09705	3.9
173.11726	5.7
173.13251	20.5
175.11143	15.1
175.14784	7.2
177.12784	3.4
179.08633	3.9
181.10088	6.0
181.12241	4.2
183.11685	13.3
185.09601	3.2
185.13277	15.8
187.14850	8.2
189.11188	5.7
193.10391	3.2
193.12199	41.0
195.11703	5.9
197.13286	5.9
199.14833	9.7
201.16397	2.4
209.13283	5.2
211.13239	54.9
211.14732	4.2
213.11093	2.4
213.16386	4.0
217.15959	2.3
223.14766	6.1
227.12752	14.5
229.14304	10.9
231.21072	5.6
241.19473	24.3
243.21095	3.1
245.13683	3.5
257.18851	3.8
259.20557	48.0
261.22052	2.6
267.15924	11.4
275.20093	4.5
277.21561	5.1
283.15512	2.4
283.20432	3.0
285.16907	34.8
285.22119	3.0
287.20074	2.2
297.21964	11.5
299.23666	3.2
301.21527	3.3
306.87198	2.3
315.23132	19.7
317.24673	5.1
327.22748	2.6
330.03851	2.6
333.24265	37.3
339.65027	2.4
353.24847	2.4
389.26819	4.4
401.84647	2.4
415.29495	2.8
423.32520	5.1
433.30914	12.2
435.27188	2.6
451.31873	15.2
463.30780	2.4
469.32910	18.9
487.34064	8.9
515.37128	5.3
517.35333	4.7
525.35620	27.8
543.36823	100.0
544.37048	3.6
561.37726	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.1
55.01876	9.1
55.05512	47.3
57.03440	15.9
57.07056	7.1
59.04992	3.1
63.37027	1.9
63.52741	1.7
65.03925	4.5
67.05502	93.6
69.03422	5.3
69.07064	33.0
70.55302	5.7
70.55646	2.0
71.04991	8.8
71.08610	6.7
79.05491	68.0
81.03416	46.9
81.07053	84.2
83.04984	14.7
83.08620	30.5
84.36747	1.9
85.02886	8.3
85.06548	5.2
87.12070	1.7
91.05478	87.2
93.07040	72.6
95.04956	24.7
95.08603	51.9
96.08891	1.7
97.06530	11.5
97.10162	16.6
97.98422	1.6
98.97502	1.8
99.08067	7.0
103.05443	3.4
105.04533	2.1
105.07027	75.7
106.07304	1.8
107.04948	8.9
107.07888	3.1
107.08588	48.6
109.06506	10.6
109.10151	37.8
111.04423	2.8
111.08064	12.5
113.09638	2.7
115.05441	5.6
117.06235	2.9
117.07018	32.7
119.08575	66.2
121.06473	6.0
121.10141	31.4
123.08051	4.4
123.11703	6.0
125.09628	13.3
125.31623	1.7
128.06197	5.1
129.05478	1.8
129.07004	29.3
130.07800	2.3
131.08568	53.0
133.06465	3.4
133.10123	41.7
135.08023	8.6
135.11697	19.1
137.09598	3.6
138.57007	1.7
138.73938	1.8
139.11197	3.1
141.07004	9.6
141.07899	1.8
142.07753	6.0
143.08568	25.1
144.09343	2.9
145.06503	2.5
145.10123	38.6
147.08031	4.9
147.11673	44.4
149.09599	9.1
149.13251	11.8
151.11163	4.9
155.08511	10.4
156.09293	3.0
157.10129	29.5
159.08014	2.2
159.11688	25.7
161.09656	3.0
161.13269	24.8
163.11148	8.0
163.14745	4.5
165.07037	2.2
165.12727	5.1
167.08566	4.5
169.10101	12.1
170.10803	2.1
171.11676	20.3
173.09514	2.7
173.11697	5.0
173.13255	18.4
175.11172	10.6
175.14845	9.9
177.16473	2.1
179.14278	5.5
181.10121	7.9
181.12189	2.2
183.11673	11.6
185.13234	15.0
187.14758	7.2
189.11182	6.8
189.12750	3.9
191.10721	2.2
193.12221	25.9
195.11681	7.0
195.13730	2.8
197.13260	7.7
199.14830	10.4
201.16371	3.2
203.14371	2.5
207.11751	2.8
207.13733	2.6
209.13208	6.2
211.11305	3.3
211.13239	31.8
211.14992	4.4
213.16444	4.6
221.13319	2.9
223.14827	4.4
225.16470	2.8
227.12770	12.2
229.14299	8.8
231.20964	3.5
241.19492	18.0
245.13770	2.2
253.14256	1.9
259.20572	43.0
261.22296	3.4
267.15802	11.7
273.18509	2.3
275.20126	5.1
277.21664	12.6
283.20386	3.4
285.16919	17.0
287.19763	2.1
297.22083	9.7
299.23642	6.8
301.21600	2.3
313.21561	3.2
315.23199	16.9
317.24576	2.8
333.24182	24.3
351.25385	3.0
371.25894	2.7
389.26837	4.2
405.10971	1.9
405.31320	2.6
415.29770	4.2
423.32684	3.4
433.30917	16.8
441.06573	2.0
451.32050	20.4
469.33102	14.5
487.33875	7.3
491.01801	2.0
497.36182	2.0
507.34683	3.3
515.36841	3.6
517.35077	3.4
525.35822	28.2
543.36798	100.0
544.37122	2.5
561.29938	2.5
561.37836	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.9
53.76043	2.5
55.01871	7.7
55.05510	40.5
55.46005	2.2
57.03432	16.4
57.07059	6.5
59.04979	3.4
65.03939	3.0
65.11671	2.6
67.05505	96.0
69.03395	4.7
69.07063	26.0
70.64674	6.3
70.65034	4.7
71.04981	9.8
71.08247	3.5
71.08630	52.2
77.03944	4.1
79.05029	2.9
79.05490	85.7
81.03414	76.2
81.07053	100.0
83.04964	19.7
83.08616	33.1
85.02922	13.1
85.06531	6.5
88.99578	2.7
91.05478	85.1
93.07039	86.8
95.04958	38.3
95.08603	57.8
95.09186	5.0
97.06512	13.6
97.10155	17.0
99.08098	39.6
105.07031	58.0
107.04967	14.8
107.08582	55.3
109.06506	12.1
109.10159	28.3
111.04451	2.8
111.08069	10.6
113.06038	3.0
113.09659	4.7
115.05418	4.6
117.07021	19.1
119.08572	42.3
121.06493	7.5
121.10130	35.6
123.08032	4.8
123.11689	7.4
125.09603	7.4
128.06198	3.8
129.06987	20.0
131.08557	32.9
133.06448	3.8
133.10132	32.9
133.71077	3.2
135.11685	32.1
137.09622	8.0
141.06996	3.3
142.07785	4.4
143.08546	10.7
145.10133	20.3
145.60240	2.7
147.07994	8.2
147.11678	28.9
149.09633	7.2
149.13229	14.5
150.33458	2.6
151.11180	27.1
155.08589	3.7
157.10150	17.2
159.11641	13.0
161.09581	4.4
161.13298	20.0
163.11145	21.0
163.14801	3.2
165.12785	8.7
167.10536	3.9
169.10159	5.9
171.11732	7.6
173.11823	3.7
173.13258	8.3
175.11209	13.5
175.14838	4.6
177.12735	7.9
179.14313	76.6
185.13214	6.4
189.11148	5.6
189.12675	3.6
193.12242	30.7
197.13258	3.3
199.14763	5.5
201.12831	3.1
211.13258	22.3
221.15364	4.3
227.12720	6.5
231.20872	3.2
235.52385	2.9
241.19502	6.1
259.20508	11.2
267.15881	55.4
269.17477	5.3
275.20038	6.6
277.21619	90.1
278.22006	2.9
285.16785	3.0
295.22696	9.1
315.23337	5.4
333.24164	5.8
351.25311	23.3
449.04813	3.5
451.31580	4.9
469.32886	7.0
487.34103	5.0
525.35260	4.6
543.36743	72.7
561.29877	5.1
561.37787	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14405	0.4
55.01869	4.1
55.05489	0.8
56.05032	1.1
58.99579	2.4
59.06136	0.7
66.34925	0.5
67.05484	1.2
68.05018	1.5
69.03422	0.6
69.07066	0.6
70.75999	0.4
71.04984	0.5
71.51608	0.7
74.00661	7.3
76.02227	6.4
76.03999	14.2
79.05472	1.8
80.05016	0.5
81.03416	0.5
81.07054	4.9
83.06100	3.1
84.04503	21.8
85.02901	1.4
85.04026	27.0
86.06059	0.6
91.05487	0.9
92.01154	0.6
92.01704	11.0
93.07023	1.6
94.06581	0.7
94.07381	0.7
95.04992	0.6
95.08578	0.8
99.05563	1.1
102.05508	0.7
105.03384	0.7
105.07041	1.3
107.04923	0.7
107.08617	1.0
109.06448	0.6
109.10138	0.6
110.06071	0.6
112.02187	0.6
112.03961	6.9
113.03490	8.7
114.05503	2.6
116.01671	2.1
119.08576	1.1
121.02847	0.7
121.10086	1.2
125.09570	0.5
127.55341	0.6
128.07138	0.7
129.06583	3.0
130.04997	42.0
131.04520	19.2
133.06448	1.1
133.10133	0.5
135.05518	0.7
139.03201	2.7
140.01627	0.8
140.07033	0.8
141.04826	0.6
141.07008	0.7
141.19789	0.4
142.03207	1.3
142.04979	3.9
144.01102	0.8
145.05000	0.6
145.06123	1.2
145.10074	0.9
147.04376	0.6
147.11664	0.5
148.32782	0.5
149.02496	1.0
149.03770	4.9
153.06631	1.8
155.08179	0.7
156.06502	1.1
159.02280	0.7
160.00627	6.2
162.02202	3.6
164.10622	0.6
168.06540	1.7
169.06177	1.5
173.08171	0.5
175.03949	0.9
177.03284	100.0
178.07791	1.0
179.04883	3.7
179.08435	1.1
181.06140	4.9
185.02141	0.6
185.03806	12.6
187.05418	0.5
190.05009	0.8
197.05971	2.6
199.07568	0.8
202.03403	0.6
202.04909	3.1
203.04823	1.1
207.08099	1.4
209.05975	0.8
210.06790	1.2
210.11256	6.4
211.07590	0.7
214.05026	0.7
221.02676	0.6
225.05457	16.7
225.09077	1.7
227.07030	7.3
230.02679	3.6
231.01143	1.8
231.04347	11.0
232.04341	1.4
233.05962	0.7
235.07547	2.4
236.08202	0.5
237.05420	1.1
237.09059	1.2
238.06140	1.2
242.05942	1.1
243.04396	0.5
243.98413	0.5
248.03749	1.2
252.10231	0.6
253.08601	45.6
254.09166	1.6
255.10115	2.6
259.04318	1.7
274.10358	0.7
285.05731	2.2
288.03494	0.8
288.06491	9.7
289.04871	0.7
306.07611	7.9
306.10983	1.0
328.10007	0.7
333.05325	8.4
351.06427	6.4
380.08844	0.7
382.12958	3.4
414.09756	0.8
431.12723	1.5
457.14178	3.0
485.13843	12.5
536.88007	0.6
560.16864	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.4
53.03936	9.7
55.01856	6.0
55.05507	31.2
57.03436	14.6
57.07053	4.9
62.49454	2.1
65.03938	2.7
67.05504	100.0
67.10906	2.4
68.80174	2.8
69.03445	3.5
69.07065	25.8
71.04979	5.7
71.51276	2.8
71.51701	2.8
71.65399	2.2
73.06541	2.5
74.32687	2.1
79.05489	82.2
81.03419	12.0
81.06594	4.9
81.07053	85.1
83.04980	12.4
83.08617	14.3
85.06530	4.0
91.05481	68.6
93.07043	81.9
95.04955	26.7
95.08607	57.9
97.06522	8.2
97.10148	6.7
99.08101	5.7
105.07025	48.1
107.04949	8.1
107.07989	3.2
107.08601	36.1
109.06519	7.9
109.10142	26.0
111.08123	5.5
117.07009	15.2
119.08589	33.9
121.06519	4.5
121.10128	22.2
123.08054	6.8
123.11738	5.4
125.09626	3.5
129.07031	15.2
131.08566	21.2
133.06418	3.2
133.10124	21.0
135.08067	5.3
135.11661	13.6
136.35162	2.5
141.06952	2.5
142.07797	3.0
143.08580	14.1
145.10109	24.1
147.08037	3.7
147.11682	27.9
149.09679	3.3
149.13243	11.4
155.08577	6.2
157.10106	6.7
159.11694	10.4
161.09590	5.6
161.13234	11.4
163.14798	3.2
169.10106	5.0
171.11684	19.2
173.11824	3.2
173.13283	6.1
175.11220	3.6
175.14861	3.0
183.11700	4.7
185.13341	5.1
187.14714	4.8
189.12733	5.8
193.10309	2.8
193.12212	2.7
195.11708	3.7
197.13309	2.8
207.13736	14.7
218.66618	2.4
243.21040	5.7
261.22183	10.4
265.19159	2.9
273.18506	5.9
275.20135	5.4
281.17511	20.9
291.19446	7.1
313.21777	4.5
317.24768	3.3
335.25815	39.7
431.33163	3.1
523.38440	4.2
534.47589	2.8
541.39185	55.4
542.39178	2.8
559.36658	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.7
53.03946	11.0
55.01863	10.1
55.05274	3.5
55.05511	47.0
57.03439	15.0
57.07066	8.2
65.03923	4.2
65.30311	2.2
67.05504	92.5
69.03421	6.6
69.07069	38.8
69.17860	5.9
69.18273	20.8
71.04980	8.1
71.08637	5.0
79.05490	75.2
81.03419	13.0
81.07050	100.0
81.53851	2.3
83.04983	11.3
83.08617	25.2
85.02886	2.4
85.06527	5.7
91.05477	64.1
93.07043	74.4
94.07398	2.4
95.04958	22.0
95.08602	59.5
97.06525	14.7
97.10159	16.5
99.08109	7.1
100.58994	2.2
105.04521	2.7
105.06313	3.7
105.07019	58.4
107.04970	16.4
107.08595	41.8
109.06517	12.7
109.10149	23.5
111.04378	2.1
111.08076	7.0
117.07004	29.2
119.08574	42.4
121.06482	6.3
121.10143	26.8
123.08063	10.8
123.11688	8.6
125.09628	9.3
128.06218	5.9
129.07010	25.7
130.07759	2.8
131.08554	48.4
133.06482	5.9
133.10120	28.1
135.08040	8.8
135.11665	16.0
141.06956	9.0
142.07776	5.7
143.08553	34.6
145.06476	6.4
145.10110	46.6
146.10507	3.6
147.08009	4.3
147.11670	15.1
149.09621	5.7
149.13266	11.5
149.40517	2.2
151.11151	6.5
153.09148	2.2
155.08563	25.0
157.10123	28.7
159.08063	5.8
159.11699	25.0
161.09576	4.5
161.13274	9.8
163.11156	11.7
163.12416	2.2
163.14786	2.6
165.06931	2.4
167.08577	10.8
168.09236	3.3
169.10086	18.5
171.11681	17.1
173.09624	3.6
173.13239	10.1
175.11160	3.8
175.14838	6.0
177.12813	7.3
178.07605	2.8
179.14282	6.2
181.10106	12.5
183.11684	13.4
185.09679	2.2
185.13226	12.4
187.11215	4.2
187.14830	8.0
189.12750	3.5
189.16348	3.3
193.10060	3.9
193.12317	2.8
195.11658	11.5
195.13623	5.1
197.13254	12.4
199.14795	6.4
201.16397	3.5
203.18051	3.4
205.12103	3.3
207.12019	3.2
207.13849	7.8
209.13260	7.9
211.14816	8.6
213.16370	5.9
217.15965	2.4
217.19431	3.4
223.14964	4.4
225.16418	3.8
227.12827	7.9
233.15218	2.3
235.14906	3.5
237.16374	5.2
239.17995	5.9
241.19582	2.8
257.18997	3.5
259.20578	3.4
261.22159	3.6
267.15878	4.5
269.17465	3.4
273.18616	8.3
275.20041	5.4
275.23621	2.7
277.21655	6.3
279.15912	10.6
281.17581	7.1
283.20389	2.8
291.19516	22.1
297.22147	3.0
299.23962	2.6
315.23221	2.9
315.26523	3.5
316.69016	2.5
325.25116	4.1
329.24731	2.4
335.25760	4.3
337.25311	2.9
347.21976	2.5
361.25137	2.8
379.26340	3.1
384.39880	2.5
421.34634	2.8
431.33496	12.1
437.34085	6.9
449.34274	28.5
467.35779	16.7
485.36960	10.9
511.37698	5.4
523.37457	8.2
527.37073	2.8
529.38904	15.4
531.40582	2.9
541.39099	84.5
559.26575	4.6
559.40381	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01875	4.8
55.05510	24.4
57.03434	11.9
57.07069	5.6
67.05501	56.0
69.03459	2.2
69.07071	25.0
71.04982	2.4
79.05028	2.3
79.05485	44.3
81.03413	4.6
81.06597	3.6
81.07054	58.8
83.04964	6.2
83.08608	19.6
85.06519	4.8
91.05487	39.2
93.07036	41.7
95.04961	7.6
95.08604	34.8
97.06507	7.3
97.10165	12.0
99.08084	3.6
105.07034	38.7
107.04945	6.8
107.08591	25.9
109.06534	4.3
109.10172	15.4
111.08064	3.8
115.05490	2.4
117.07014	17.3
119.07943	2.3
119.08597	24.0
121.06507	4.8
121.10142	18.2
123.08040	4.8
123.11697	3.6
125.09609	6.4
125.83356	2.2
128.06187	6.8
129.07005	21.4
131.08559	43.9
133.06483	3.7
133.10112	13.9
135.11639	5.8
141.06978	9.8
142.07777	5.7
143.08549	30.5
145.10127	35.7
147.11723	11.8
149.13203	5.1
155.08554	21.0
156.09361	3.3
157.10110	23.1
158.60220	2.9
159.11705	19.4
161.13261	6.1
163.11191	3.6
163.14900	2.9
167.08504	5.7
168.09286	2.9
169.10141	26.5
171.11679	19.0
173.13240	8.7
179.08548	3.5
181.10027	10.8
183.11681	10.4
185.13248	10.0
187.11252	3.6
187.14807	5.9
189.12770	4.1
189.16423	2.8
193.10059	2.7
195.11650	13.0
197.13229	12.6
199.13071	3.1
199.14836	9.1
201.16330	6.2
203.18011	2.3
207.11838	4.8
207.13828	8.3
209.13226	7.2
211.14812	6.5
213.16451	4.7
214.69560	2.6
215.18076	5.1
221.13223	3.9
223.14807	7.0
225.16429	8.0
227.18074	3.6
229.15788	2.8
235.14836	3.0
237.16388	6.6
239.17961	4.2
251.18022	4.6
255.17345	2.8
257.19083	2.8
261.22238	3.4
269.16632	2.7
277.38150	2.7
279.15839	6.1
281.17523	4.6
284.86734	2.7
285.18466	2.7
291.19550	5.2
325.25098	5.4
335.25903	4.8
337.25232	4.4
361.25766	2.3
430.21829	2.8
431.33200	16.6
437.34042	8.0
439.35611	3.5
449.34143	32.3
467.35284	20.1
478.14218	2.4
485.36240	15.6
487.36218	2.5
501.83023	3.0
503.37418	4.9
505.36853	3.7
511.37769	4.2
523.37781	16.5
529.38910	27.4
531.40302	4.3
541.38892	100.0
542.38782	4.4
559.23279	30.8
559.40277	71.7
560.23352	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70064	2.9
53.03940	12.8
55.05513	31.3
57.03431	11.9
65.03935	4.6
67.05503	77.5
69.07067	20.2
70.76704	8.6
71.04995	3.3
79.05493	100.0
81.03398	7.6
81.06599	6.1
81.07055	91.0
83.04973	13.3
83.08606	14.2
85.06548	4.4
91.05478	65.4
93.07040	85.8
95.04974	18.9
95.08611	55.4
97.06522	5.5
97.10152	5.8
105.07036	55.7
107.04930	9.8
107.08576	32.7
109.06520	8.8
109.10162	20.4
115.05472	3.6
117.06998	15.4
119.08589	30.1
121.10159	22.1
123.08085	4.2
123.11672	7.0
128.06207	3.9
129.07007	20.4
131.08568	15.5
133.10129	21.7
135.11667	13.6
143.08566	12.9
145.10130	15.7
147.11691	40.7
149.13318	7.2
153.25009	3.0
157.10144	7.5
159.11621	7.3
161.13292	14.9
169.10226	3.8
171.11705	31.8
173.13332	5.4
175.14781	3.2
185.13167	4.5
187.14821	4.0
189.12776	10.2
207.13751	25.5
243.21170	5.3
261.22131	10.1
279.15897	6.2
281.17484	40.0
335.25809	55.4
364.82443	3.7
368.78381	3.2
400.28351	3.3
449.33957	3.8
467.35336	6.2
485.35919	3.4
541.38983	88.8
559.39459	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01867	7.4
55.05510	38.0
57.03433	9.9
57.07064	7.8
58.64563	1.7
64.88116	1.6
65.03948	4.1
65.07783	1.7
67.05502	73.5
69.03424	3.1
69.07063	25.8
69.92960	10.5
71.04980	3.7
71.08636	3.6
79.05489	52.1
81.03410	8.1
81.07048	71.9
83.04977	7.9
83.08620	22.7
85.06526	5.2
85.10190	2.5
91.05479	54.1
93.07040	55.0
95.04966	14.2
95.08604	50.1
97.06540	10.1
97.10164	9.1
99.08080	3.4
105.07027	48.8
107.04958	12.7
107.08588	27.7
109.06551	8.7
109.10148	19.0
111.08069	5.4
114.81573	1.8
115.05440	2.3
117.07014	24.5
119.08585	27.9
121.06499	5.4
121.10120	18.6
123.08067	6.7
123.11738	5.5
125.09634	6.6
128.06183	3.8
129.07013	26.0
130.07788	2.3
131.08562	49.4
133.06523	2.9
133.10150	21.5
133.11134	2.6
135.08083	2.3
135.11679	12.6
137.09645	2.7
137.13243	3.2
141.06995	9.2
142.07727	4.6
143.08560	29.9
145.06500	4.1
145.10118	39.6
147.08044	3.4
147.11665	15.3
149.09651	5.2
149.13254	7.7
151.11136	2.1
155.08557	21.0
156.09326	3.9
157.10121	28.3
159.08009	2.8
159.11676	21.1
161.09604	3.7
161.13295	5.9
163.11137	3.3
165.12822	1.9
167.08507	9.0
168.09357	2.2
169.10123	22.6
171.11678	25.2
173.13310	13.0
175.11176	3.3
175.14867	5.1
177.12781	4.5
179.08586	3.0
179.14282	3.9
181.10114	13.4
183.11665	15.2
185.09740	3.1
185.13226	10.4
187.11139	2.9
187.14839	7.4
189.11185	2.4
189.16454	2.1
193.10141	5.6
193.12231	2.8
195.11690	11.1
195.13455	1.9
197.13361	9.3
199.14842	15.2
201.16310	3.5
203.14314	2.4
207.11790	3.6
207.13780	5.8
209.13287	6.4
211.14830	10.0
213.16364	5.8
215.17786	2.1
221.13246	4.5
223.14914	4.5
225.16443	7.2
227.12718	3.5
227.14693	2.1
227.18025	5.2
235.14778	5.0
237.16431	4.8
239.18109	3.9
241.14172	2.7
241.19536	3.8
249.16493	3.1
253.19572	1.9
255.17427	2.4
259.20627	3.5
261.22040	3.3
269.19098	2.7
273.18475	4.6
275.20062	8.3
279.15866	11.2
281.17444	7.4
283.20612	2.7
291.19629	6.7
293.21973	2.2
295.24423	2.0
297.22171	3.1
325.25250	5.1
333.25000	1.8
335.25833	5.6
337.25110	2.8
341.24951	2.3
361.25204	2.6
365.24664	2.6
431.32993	10.6
437.34042	8.1
439.35632	3.5
449.34259	25.1
467.35410	20.9
485.36465	16.0
505.35825	2.2
511.37601	4.3
523.37769	11.1
529.38843	19.8
531.40314	5.6
541.38995	100.0
542.39319	3.0
559.40308	78.6
560.40497	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.8
55.01878	6.6
55.05508	30.3
57.03425	9.1
57.07064	2.8
65.03935	5.1
67.05502	100.0
69.03429	3.5
69.07063	26.3
69.54996	5.3
69.55402	12.9
71.04987	6.6
71.08624	5.4
79.05489	84.0
81.03431	11.2
81.07052	81.8
83.04963	16.5
83.08601	11.5
85.06553	6.1
91.05473	63.8
93.07041	91.0
95.04966	29.7
95.08607	54.5
97.06528	9.2
97.10177	7.5
99.08114	6.8
105.04513	3.5
105.07026	52.9
107.04967	15.7
107.08585	35.1
109.06493	9.5
109.10152	18.0
111.08089	5.2
117.06998	17.8
119.08572	35.6
121.06523	3.0
121.10134	22.1
123.08064	6.5
123.11725	5.0
125.09637	2.6
128.06242	4.6
129.06969	15.2
129.89998	2.5
131.08565	21.4
133.10133	22.5
135.08037	2.7
135.11707	15.8
135.12679	2.9
137.13271	2.6
141.07065	2.2
141.09174	2.5
143.08560	14.5
144.92415	2.5
145.10117	20.2
147.11691	30.8
149.09702	3.7
149.13275	6.2
151.11162	5.2
155.08615	3.3
157.10112	6.6
159.11691	9.2
161.09610	5.3
161.13210	10.9
163.11194	5.4
163.14894	2.3
169.10089	4.4
171.11679	22.3
173.13275	6.6
175.11212	2.4
177.12755	2.3
179.14302	18.1
181.10068	4.3
183.11786	3.8
185.13264	6.5
187.14864	4.1
189.12747	6.6
197.13304	4.1
198.80746	2.2
199.14832	4.1
201.16383	2.2
207.13748	16.7
243.21190	3.5
258.00223	2.5
261.22195	8.1
269.17657	2.6
273.18527	7.2
275.19919	5.2
277.21570	11.3
281.17429	33.9
291.19550	7.1
335.25754	31.6
405.13492	2.2
437.58936	2.6
485.36130	3.3
527.37006	6.8
541.39044	43.3
559.37183	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01870	16.0
55.05513	46.2
57.03447	16.6
57.07063	3.6
65.03947	3.6
65.15269	2.8
67.05504	83.3
69.07069	37.2
69.87205	3.1
71.04983	8.2
79.05016	4.6
79.05492	88.0
81.03419	32.5
81.06593	5.3
81.07056	89.9
81.07535	4.8
82.07448	2.4
83.04979	14.3
83.08614	23.8
85.02895	7.0
85.06541	5.5
91.05478	87.8
91.06026	5.3
93.07041	95.9
95.04959	35.6
95.08610	78.9
96.08897	3.0
97.02889	5.4
97.06527	17.8
97.10165	11.8
99.04432	4.4
99.08115	5.2
103.05470	2.8
105.04527	3.0
105.07024	84.5
107.04948	23.0
107.08585	68.7
109.06514	9.8
109.10146	22.4
111.08093	7.8
113.06006	4.1
115.05520	3.8
117.07001	33.9
119.07735	3.8
119.08580	66.3
119.09385	5.2
120.67822	3.2
121.06483	15.8
121.10144	35.1
123.08084	6.2
123.11729	6.2
125.09634	10.1
128.06207	6.1
129.07022	22.6
130.07784	3.9
131.08559	33.3
133.06512	4.3
133.10133	51.8
135.08029	10.4
135.11684	61.8
141.06998	6.5
143.08557	17.0
145.10139	61.4
147.08046	6.4
147.11685	45.3
149.09633	12.1
149.13261	10.8
151.11171	4.6
155.08626	3.7
157.10126	16.3
159.11664	22.1
161.09616	6.4
161.13257	30.5
163.11188	56.4
163.14777	5.0
169.10101	6.2
170.58600	2.7
171.11646	18.2
173.13304	12.7
175.11180	7.1
175.14757	15.8
177.12657	4.3
179.14307	4.4
181.12259	8.5
183.11723	7.3
185.11806	2.8
185.13284	11.8
187.14821	5.1
189.11214	4.5
193.12292	10.1
195.11681	3.1
197.13312	3.7
199.14742	3.3
211.13260	5.3
215.18198	2.9
227.12779	100.0
231.21033	6.4
241.19435	34.6
241.21422	3.3
257.18994	5.6
259.20596	70.6
267.15973	16.1
273.18466	4.4
275.20038	32.7
277.21628	4.7
283.15381	42.6
291.19586	6.5
293.21072	2.8
297.22275	3.3
315.23242	9.9
333.24240	68.3
333.28177	3.4
349.23825	8.8
449.30368	3.5
467.31586	7.0
485.32599	6.3
541.35199	58.3
559.36353	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01865	21.6
55.05508	45.8
57.03427	15.0
57.07071	2.7
60.02050	2.8
65.03931	4.4
66.11833	2.1
66.75126	2.7
67.05499	78.5
69.03411	5.0
69.07063	43.3
71.04978	9.2
72.13848	2.2
79.05489	70.1
81.03413	56.0
81.07049	84.4
83.04976	17.2
83.08612	33.3
85.02900	10.9
85.06535	5.6
90.76386	2.4
91.05473	85.0
91.06030	5.0
93.07030	55.2
95.01327	8.1
95.04959	33.8
95.08601	47.8
97.02924	2.4
97.06519	34.4
97.10160	15.5
98.21470	5.8
99.08111	4.1
105.06313	4.9
105.07022	95.4
107.04948	20.7
107.08596	36.8
109.06505	10.4
109.10142	26.4
111.08082	10.0
115.05444	5.3
117.07011	34.3
119.08571	50.6
119.09377	4.2
121.06493	7.9
121.10121	20.9
123.08080	7.9
123.11712	6.5
125.09618	15.1
128.06245	5.5
129.06999	25.3
131.08566	51.2
133.06470	8.1
133.10118	45.9
135.08052	9.2
135.11696	10.8
137.09633	4.8
141.06992	7.6
142.07755	4.5
143.08548	17.5
145.06499	9.1
145.10100	29.5
147.08023	7.2
147.11681	25.9
149.09578	19.3
149.13277	5.3
151.11172	3.7
155.08569	8.2
157.10117	18.6
159.08018	5.6
159.11714	20.2
161.09644	6.1
161.13246	6.7
163.11160	9.6
165.12701	3.5
167.08565	4.3
169.10146	8.9
169.17130	2.7
171.11641	12.5
173.09610	3.9
173.11824	3.4
173.13261	7.4
175.11230	10.2
177.12785	5.7
179.14273	15.9
183.11714	8.5
185.13290	7.4
187.11186	5.9
189.11258	7.1
193.12254	25.0
197.13205	5.5
199.14948	3.0
201.12778	4.5
203.14398	2.7
208.77751	2.7
209.13298	4.8
211.13231	20.3
227.12801	9.8
229.14262	3.6
229.19560	3.9
239.17993	3.2
257.18988	14.2
267.15894	37.8
273.18582	3.2
275.20047	94.6
276.20297	3.0
293.21017	11.9
295.20490	3.7
297.22089	4.5
299.20044	4.4
304.32724	3.1
313.21570	7.0
315.23160	5.4
325.21606	4.1
349.23831	21.3
387.25595	4.1
431.29181	3.5
449.30417	10.8
467.31659	9.2
485.32529	4.9
523.33966	3.8
541.35217	70.0
559.36267	100.0
560.36676	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	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01878	14.4
55.05511	50.7
55.29720	1.9
57.03432	11.7
57.07069	2.5
59.04981	3.6
62.43521	1.9
65.03918	3.9
67.05505	62.7
69.03415	6.2
69.07066	18.4
69.27309	4.5
69.27726	14.4
71.04977	7.1
79.05493	50.5
81.03410	14.3
81.07053	63.0
83.04979	11.9
83.08615	25.1
83.77580	1.8
84.58875	2.0
85.02901	3.6
85.06544	4.6
91.05479	48.6
93.07039	52.9
95.04961	19.6
95.08605	29.6
97.06530	6.2
97.10171	35.3
97.47123	1.9
99.08105	2.1
105.07028	52.4
107.04901	9.9
107.08586	33.0
109.06509	11.3
109.10142	17.1
111.04408	4.2
111.08063	6.0
113.05991	4.7
115.05400	3.2
117.07027	27.3
119.08585	32.5
121.06512	5.8
121.10142	18.4
122.78478	2.0
123.08070	6.5
123.11683	3.0
125.09628	28.1
128.06201	5.4
129.07016	16.6
130.07739	4.2
131.08560	35.8
132.08824	2.0
133.06459	2.3
133.10124	27.7
135.08067	9.9
135.11678	12.3
137.09583	3.8
141.06961	5.6
142.07791	3.8
143.08556	25.3
145.06468	3.3
145.09079	2.6
145.10121	30.8
147.08025	4.9
147.11697	20.9
149.09602	6.7
149.13222	7.4
151.11256	3.2
153.09164	3.3
153.12692	4.2
155.08540	9.0
156.09413	2.6
157.10139	22.1
159.08049	5.3
159.11679	23.1
161.09618	2.8
161.13225	11.0
163.11186	11.3
165.07022	3.3
167.08528	5.3
169.10095	10.0
169.36136	2.3
171.07977	3.7
171.11658	17.8
173.09572	3.4
173.11952	2.0
173.13243	12.1
175.11150	5.6
175.14841	4.5
180.09300	2.2
181.10085	6.3
183.11641	9.4
185.09631	3.1
185.13254	16.0
187.11223	4.0
187.14825	6.5
189.09659	2.2
189.11188	12.0
189.12668	2.7
193.12199	3.2
195.11644	6.4
197.13240	8.5
199.14839	7.6
201.12715	4.0
201.16484	3.4
203.14348	3.1
207.11757	3.6
209.13243	5.6
211.14886	4.2
213.12758	2.2
213.16458	2.9
217.15845	3.1
223.14873	2.3
225.16335	3.2
227.12766	26.6
229.91234	1.8
233.13193	2.4
239.14191	2.0
241.19505	6.1
245.13725	3.8
245.18976	2.1
257.19046	4.9
259.20599	13.3
267.15726	2.8
271.20401	4.0
273.18481	8.0
275.20117	12.0
283.15344	10.6
285.21829	2.2
287.19986	2.7
287.23557	2.8
291.19592	10.4
295.20578	2.5
297.22171	15.4
299.19983	3.1
300.04095	2.1
313.21631	3.6
315.23154	16.4
331.22595	3.5
333.24216	8.9
349.23483	3.6
371.25586	2.4
395.43069	2.0
413.28174	3.5
421.30981	4.5
431.29352	7.3
435.32925	2.5
439.32083	3.6
449.30304	13.4
457.33139	2.3
461.28992	4.9
467.31534	17.3
485.32413	19.4
505.88193	1.8
513.35590	4.9
523.33984	11.1
527.37183	4.4
531.36255	4.7
541.35199	100.0
542.35400	6.7
559.36139	55.2
560.36511	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01867	19.6
55.05510	55.8
57.03442	13.6
57.07056	4.7
60.68662	2.6
65.03937	7.3
65.23891	2.7
67.05505	76.0
69.03424	6.9
69.07065	46.4
71.04987	8.4
77.03906	2.8
79.05489	89.3
81.03416	67.5
81.07053	88.5
83.04983	19.5
83.08615	41.3
85.02895	19.9
85.06542	7.1
91.05478	86.7
93.07042	62.0
93.07628	3.2
93.92039	2.5
95.04967	43.9
95.08606	44.7
97.06539	17.1
97.10167	23.2
98.20789	5.0
103.05462	6.4
105.07027	82.9
107.04945	27.5
107.08588	58.5
109.06520	13.2
109.10155	24.1
111.04469	3.9
111.08089	15.1
113.09634	4.5
117.07019	25.5
119.08572	54.5
119.09378	4.6
121.06493	9.4
121.10129	25.6
123.08074	10.4
123.11692	10.0
125.09608	20.6
128.06252	5.5
129.06993	30.6
130.07799	3.2
131.08559	45.7
133.06476	9.1
133.10132	38.4
135.08080	9.0
135.11705	8.3
137.09621	5.6
141.07005	7.2
143.08556	15.0
145.06491	7.6
145.10130	38.7
147.08038	5.4
147.11693	46.3
149.09599	23.4
149.13264	4.7
151.11205	5.3
153.09088	3.4
154.07755	3.8
155.08565	8.1
157.10112	22.4
159.08066	6.1
159.11691	23.0
161.09633	3.4
161.13269	7.6
163.11128	14.0
165.12766	3.5
167.08525	2.8
169.10150	9.8
171.10403	3.1
171.11661	13.3
173.09657	4.2
173.11885	4.4
173.13307	8.7
175.11177	15.4
179.14354	9.7
181.10176	4.2
183.11617	13.1
185.13271	9.3
187.11253	6.3
187.14873	3.1
189.11208	8.9
189.12817	3.9
193.12242	38.2
194.12523	3.2
195.11749	5.2
197.13268	6.8
207.11699	3.5
211.13248	40.7
219.13890	2.6
226.26672	2.8
227.12636	14.0
229.14325	3.1
239.17970	5.5
247.20776	3.0
257.18997	16.3
265.59650	3.7
267.15845	30.7
272.57593	2.7
275.20044	73.0
293.21194	6.3
297.22314	7.8
299.20062	8.1
313.21729	4.1
315.23218	8.8
331.22629	5.1
344.82672	3.1
346.90854	3.0
349.23676	14.6
403.29633	3.2
431.29218	5.9
447.28223	3.0
449.30832	13.4
467.31592	11.8
485.32541	4.4
523.34283	6.4
532.06134	2.9
541.35297	65.6
542.22919	3.2
559.36304	100.0
560.36523	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.4
55.01876	16.6
55.05506	44.1
57.03436	13.9
57.07092	3.9
59.04993	3.5
63.57763	2.9
64.72800	2.9
65.03947	6.1
67.05505	79.8
68.62195	2.6
69.03432	11.3
69.07066	33.2
70.61124	2.5
71.04991	10.4
71.51026	4.5
71.94939	2.6
79.05492	77.5
79.41357	3.5
81.03419	71.4
81.07057	100.0
83.04989	18.6
83.08612	33.4
85.02914	19.7
85.06554	5.9
91.05480	73.6
93.07036	60.7
95.04971	38.9
95.08602	43.7
97.02914	6.0
97.06530	22.8
97.10159	20.6
99.04451	4.0
103.05494	6.8
105.07036	71.5
107.04939	23.2
107.08589	65.3
107.09317	4.4
109.06511	22.2
109.10158	33.4
110.46026	2.9
111.04457	6.1
111.08067	15.4
113.09657	4.5
115.05433	4.4
116.10698	4.6
117.07011	27.6
119.04927	4.5
119.08573	56.7
121.06496	11.5
121.10130	27.5
123.04432	9.1
123.08075	11.4
123.11719	11.5
125.09612	20.7
127.03884	5.0
128.06230	6.4
129.07014	23.6
130.07762	3.9
131.08568	38.1
133.06537	5.4
133.10135	39.0
135.08070	10.6
135.11699	11.3
137.05983	3.1
137.09619	9.8
139.03827	3.9
143.08559	11.8
145.06480	4.6
145.10123	35.7
147.08052	10.3
147.11661	38.4
149.09633	23.5
149.13174	4.8
151.11159	5.3
155.08597	7.8
157.10144	18.4
159.07999	4.0
159.11688	19.4
161.05856	4.0
161.09618	3.3
161.13223	8.5
163.03975	4.0
163.11142	15.4
165.09109	4.9
165.12726	8.0
166.54378	3.1
167.08525	4.3
169.10172	10.6
171.11716	13.0
173.09552	4.8
173.13254	11.2
175.03796	3.6
175.11150	14.3
175.14886	4.4
177.05516	3.4
179.14339	8.0
181.10124	4.0
183.11684	4.5
185.13239	6.5
187.11102	5.2
189.11186	8.5
191.14293	3.6
193.12265	38.4
195.07870	3.7
195.11627	3.9
197.13303	4.0
199.11122	3.8
207.11684	3.2
208.44240	2.8
211.13251	31.8
211.14670	2.7
227.12820	10.9
229.19525	5.9
239.18024	3.5
247.20598	4.3
257.19034	19.7
267.15878	26.5
275.20081	67.0
289.51880	2.9
293.21112	7.7
299.20236	6.9
313.21857	3.4
315.23154	6.6
323.48547	3.4
331.22360	3.3
349.23715	15.0
378.73199	3.1
399.88388	3.2
403.84137	3.3
437.25171	3.3
449.30643	6.8
467.31470	8.3
485.32407	5.2
523.34302	5.3
541.28546	4.4
541.35431	38.8
559.36469	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50249	3.8
55.05499	15.2
57.03426	10.5
57.07071	24.3
67.05507	19.6
69.07056	9.6
69.35967	38.8
71.08623	17.8
79.05480	13.6
81.03404	41.9
81.07056	24.3
83.04990	10.6
83.08614	22.7
83.66482	3.7
85.02895	15.0
85.10192	9.0
91.05457	22.5
93.07034	15.8
95.04962	17.6
95.08598	19.9
97.10170	6.0
105.07040	20.1
105.34641	4.0
107.04911	5.5
107.08576	5.2
109.06500	6.3
109.10162	7.9
119.08584	7.6
123.08038	4.8
129.06998	9.7
131.08539	6.4
133.10112	11.9
147.11685	14.3
157.10074	10.4
160.00600	3.8
175.11110	9.0
193.12219	44.1
196.86906	4.3
201.00453	4.2
211.13261	53.8
239.23741	4.1
267.16055	13.8
285.16937	64.7
288.71249	4.1
313.27335	100.0
336.69714	3.8
505.38318	6.2
523.32721	6.5
523.39935	71.1
581.85730	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	558.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	1.4
55.05508	7.0
57.03437	3.0
57.07070	11.1
59.05001	2.7
59.77827	0.6
59.96096	0.6
60.81992	0.5
61.02925	5.1
67.05521	2.0
69.03426	9.5
69.07066	49.7
69.16503	3.0
69.16927	3.6
70.06590	1.0
71.04986	6.6
71.08623	8.4
73.02907	1.4
73.06552	9.1
73.43262	0.5
79.05479	1.7
80.90958	0.6
81.03410	6.6
81.07050	2.3
83.04955	1.0
83.08614	1.9
85.02901	47.7
85.10194	3.5
86.03240	0.5
86.06065	2.4
89.06026	30.2
91.03951	3.0
91.05486	2.4
93.07047	3.2
95.04996	1.1
95.08580	3.0
97.02302	1.1
97.02891	15.0
98.09702	1.1
99.04455	2.8
99.11740	1.0
103.03973	0.6
105.07000	1.4
105.23940	0.6
107.08590	1.3
109.02892	4.6
109.10142	1.6
111.11715	82.9
112.12039	1.4
115.03951	0.8
116.10732	4.7
119.04913	1.1
119.08535	1.5
121.06482	0.7
121.10150	2.6
123.04427	1.6
123.11727	0.7
127.03910	11.5
129.12750	100.0
130.13077	1.2
131.04927	0.8
133.06502	1.5
133.10226	0.6
137.05978	0.9
137.09625	1.3
145.04953	19.0
147.04430	1.0
147.11665	0.8
149.09552	1.2
151.03835	0.8
151.07503	0.7
163.06041	6.1
167.10568	0.8
168.07498	0.7
170.15405	1.4
175.03888	1.2
177.05463	2.1
181.08710	0.7
199.16925	23.9
207.06557	3.6
214.18036	0.7
217.17982	26.9
256.18903	0.8
280.19281	0.9
460.25354	4.2
540.31091	0.8
558.33325	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.8
55.15192	3.5
58.95814	3.1
65.54025	3.3
69.03421	8.6
70.67344	11.7
79.05473	5.7
81.03413	8.2
85.02903	17.8
91.05447	17.9
93.11313	3.6
97.02907	7.6
98.21075	6.5
103.05469	10.9
105.07040	10.5
107.04952	26.5
109.02879	7.1
111.04372	3.6
119.04927	11.1
121.06496	12.7
122.03655	5.0
127.03932	6.6
128.06174	4.8
129.07022	11.5
131.04916	21.2
133.02843	11.9
133.06468	11.9
135.08051	6.9
137.05975	100.0
140.82014	3.7
146.07202	3.9
147.04401	12.5
149.06006	14.3
151.07544	33.2
161.05971	71.5
161.09622	15.9
162.06738	9.0
163.07532	61.6
165.09093	7.5
167.06996	10.0
175.06169	3.9
175.07579	15.3
177.05544	5.4
177.09082	6.1
179.07016	18.5
181.04999	6.1
181.08594	12.7
189.09077	49.6
191.07072	9.5
193.08652	3.6
207.10168	85.0
215.10786	4.0
219.10138	4.4
227.10698	6.7
250.50563	3.6
255.10248	9.3
273.11255	5.1
285.11337	6.5
287.12714	18.0
291.12311	5.7
311.12726	5.6
313.14136	18.3
331.15411	39.4
343.15152	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	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05435	2.5
53.03939	4.1
55.01863	3.3
57.03433	3.2
66.99252	2.7
67.05480	3.5
69.03426	17.2
71.51353	2.9
79.05498	9.8
81.03407	12.0
81.07068	7.1
83.05000	4.1
85.02898	26.2
85.06504	4.1
91.05482	17.6
93.07047	5.3
95.05024	5.4
95.08638	4.2
96.27253	2.8
97.02885	11.3
97.06547	3.0
97.17398	3.2
99.04428	2.9
103.05451	21.0
105.07028	16.8
107.04949	36.1
107.08632	4.0
109.02879	7.0
109.06564	3.4
113.03483	11.5
115.05478	7.4
117.07037	3.1
119.04942	13.2
121.06509	10.2
121.10047	3.5
122.03632	7.8
123.04420	5.9
127.03921	11.8
128.30243	3.3
129.06929	4.5
131.04929	39.7
133.02869	14.9
133.06482	19.8
135.04422	5.7
135.08046	3.8
137.05972	100.0
145.04927	5.0
145.06459	5.7
147.04401	28.1
149.06013	18.2
150.06755	5.6
151.07518	32.2
153.01848	16.3
157.06470	3.7
161.05980	75.5
161.09610	12.6
162.06779	9.5
163.03873	4.7
163.07539	62.5
165.05508	6.3
165.09093	5.7
167.07034	5.8
171.02991	3.2
173.06064	3.1
175.07571	8.9
177.05453	11.2
177.09196	5.0
179.07051	24.2
181.08519	14.0
189.05533	14.6
189.09116	41.3
191.07065	8.0
193.08580	6.8
195.10112	3.8
196.44102	3.1
203.06990	6.7
207.06544	4.3
207.10143	68.8
215.07063	3.4
217.08600	4.5
219.10129	4.8
221.05969	2.8
225.09132	4.5
225.11133	3.7
227.10666	6.4
229.08650	4.9
253.08662	5.1
255.10054	4.4
257.07727	4.5
273.11166	6.4
285.11078	7.2
287.12805	7.3
291.12393	5.3
291.66876	3.4
299.12729	4.6
313.10886	6.1
313.14371	10.7
315.07077	4.9
323.11307	4.6
331.15359	34.9
343.15466	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	558.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23343	4.3
62.42667	4.2
63.12373	4.3
68.79359	4.8
70.96525	9.0
81.03396	5.8
83.42223	4.8
85.02872	9.5
91.05478	11.9
96.44112	4.4
103.05460	31.5
105.06989	6.8
107.04967	9.3
107.08592	4.8
119.04930	13.9
121.06493	8.6
122.18833	4.8
123.04405	12.8
127.03887	9.3
131.04921	79.2
133.06490	4.5
135.04405	13.8
137.05975	74.6
139.03979	4.7
147.04398	60.4
149.05966	13.3
150.06747	10.8
151.07527	29.9
161.05959	51.9
161.09589	7.0
162.06778	18.8
163.03847	7.5
163.07541	100.0
165.05460	13.8
167.07027	6.0
175.07631	9.0
177.05473	13.5
179.06992	12.4
189.05469	49.1
189.09064	24.8
193.04938	8.1
207.06535	35.8
207.10197	45.9
209.11549	6.4
219.06512	11.7
223.07684	4.6
239.07109	8.0
248.63611	4.6
251.07126	4.8
265.08704	5.0
271.09698	19.1
283.09464	8.6
287.12799	17.4
293.19562	4.6
298.00665	4.9
309.09705	4.5
311.09283	7.7
311.12976	6.9
313.10672	65.2
313.14368	14.8
325.10648	8.8
331.11725	15.1
331.15436	38.8
341.23737	6.1
343.11679	16.3
348.08630	5.3
424.09552	5.2
558.18579	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	558.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52433	2.8
61.82026	2.5
66.76790	2.5
69.03419	6.9
69.22871	2.6
70.06593	2.4
71.51187	3.0
71.51568	3.4
79.05475	3.3
81.07050	4.2
85.02919	13.2
91.05484	9.0
97.02887	6.9
99.06734	3.2
103.05473	28.0
107.04953	5.8
119.04934	8.4
121.06503	5.6
122.19413	2.9
123.04436	8.7
127.03926	7.5
131.04922	100.0
133.02835	2.7
133.06516	3.9
135.04430	10.5
137.05971	41.6
147.04404	71.5
149.05942	14.5
150.06775	12.4
151.07559	3.9
152.84404	3.0
161.05966	22.3
162.06737	23.0
163.07538	83.8
165.05469	9.5
167.07033	3.3
175.03856	6.5
177.05453	7.9
179.07053	7.0
188.03815	4.2
189.05469	52.3
193.04945	5.3
193.06525	3.5
197.95732	2.5
201.01608	2.6
207.06534	34.9
211.07590	4.6
219.06418	15.5
221.06001	4.8
238.76193	3.0
248.09174	4.0
253.08591	3.7
271.09634	17.2
281.08331	2.7
283.09659	8.5
307.09665	3.9
311.08972	6.2
311.12045	4.3
313.10648	65.2
325.10718	8.3
331.11737	19.4
343.11719	19.7
347.07941	5.0
348.08661	10.6
396.10657	8.7
558.16577	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	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03938	6.8
55.01864	5.9
55.05509	30.6
57.03432	6.8
57.07061	4.2
65.03935	6.2
67.05501	85.4
69.03430	2.6
69.07062	19.2
71.04983	4.0
71.08626	35.9
71.51768	1.5
73.06521	1.4
77.03896	1.7
79.05488	87.1
81.03413	15.7
81.07050	83.8
83.02124	1.4
83.04973	21.3
83.08621	16.1
85.06529	4.8
89.06031	1.2
91.05476	72.8
92.05781	1.7
93.07039	93.5
95.04966	24.5
95.08599	50.1
97.06537	13.7
97.10176	7.3
99.08085	27.0
105.04501	3.4
105.07027	47.4
107.04958	19.0
107.08585	41.7
109.06525	10.9
109.10153	15.9
111.04419	2.4
111.08069	3.4
113.09618	3.6
115.04694	1.2
115.05473	4.0
117.07015	14.8
119.08569	37.7
121.06480	6.2
121.10136	29.3
121.10856	0.9
123.08052	5.8
123.11703	2.0
125.09617	2.4
127.23116	1.3
128.06223	4.7
129.06987	15.8
131.08557	14.3
133.06471	2.9
133.10114	21.0
135.08044	5.3
135.11685	36.6
137.09563	5.6
139.11153	1.3
141.07030	1.9
141.09102	4.6
143.08560	11.6
145.06490	1.7
145.10104	10.8
147.08003	3.6
147.11682	25.3
149.09634	3.2
149.13245	10.9
151.11163	14.2
153.12721	1.4
155.08522	2.0
157.10112	6.0
159.08014	2.3
159.11678	8.9
161.09575	3.4
161.13266	21.2
163.11171	9.4
163.14815	1.9
167.10730	2.3
169.10109	3.7
171.11684	23.7
173.09590	1.4
173.11806	1.6
173.13208	3.0
175.11032	1.3
175.14792	1.6
177.12767	6.1
179.14293	100.0
183.11717	2.1
185.13260	3.2
187.11253	1.6
189.12703	8.7
195.13794	3.8
197.13326	1.8
199.14862	2.2
207.13783	10.8
209.11615	1.9
215.14311	2.7
221.15344	4.4
225.14850	4.3
227.12686	1.4
233.15395	3.6
235.16966	4.6
241.14305	1.3
259.20508	5.3
261.18454	3.2
263.16495	2.2
275.20041	2.6
277.21619	69.2
279.15936	1.5
289.18033	11.3
291.19543	1.6
295.22693	6.1
313.21439	1.4
351.25119	2.8
465.30048	2.1
529.35254	1.8
539.33984	5.2
557.17755	1.9
557.38757	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01863	3.2
55.05507	18.4
57.03423	5.4
57.07056	3.9
67.05502	33.1
69.03431	2.9
69.07067	15.0
69.19621	24.4
71.04969	2.9
74.09716	2.5
79.05489	25.0
81.07053	34.3
83.04967	4.4
83.08610	8.3
85.06522	2.8
91.05470	31.6
93.07037	25.7
95.04951	6.7
95.08602	30.1
97.06501	3.2
97.10172	6.3
105.07021	25.0
107.08585	20.8
109.10135	9.9
111.08060	3.0
115.05413	3.0
117.07009	12.5
119.08586	22.1
121.06421	2.4
121.10120	12.2
123.08047	3.8
123.11700	2.3
128.06204	5.0
129.06995	13.3
130.07822	3.1
131.08551	30.9
133.10129	15.1
135.11682	5.2
141.06996	5.2
142.07869	3.4
143.08554	25.5
144.09286	2.2
145.06491	3.9
145.10097	21.0
147.11688	15.2
149.13199	3.3
151.11119	2.7
155.08546	17.5
156.09352	2.8
157.10158	20.0
159.11681	16.5
161.13225	6.3
163.11119	2.8
167.08543	7.9
168.09181	3.1
169.10127	24.5
171.08069	2.7
171.11679	23.3
173.13269	10.7
175.14824	4.4
181.10083	17.0
183.11690	18.8
185.09547	3.0
185.13217	15.4
187.14816	5.1
193.10002	4.0
195.11685	12.4
197.13245	14.1
199.14796	7.6
201.93500	2.3
207.11708	4.4
207.13644	4.0
209.13228	8.5
211.14775	8.3
213.16342	6.4
217.15276	2.4
219.11700	2.8
221.13261	3.3
223.14804	7.3
225.16367	4.2
235.14897	3.1
236.03532	2.3
237.16260	5.2
241.19443	2.5
259.20526	8.5
281.17468	7.3
297.22202	2.6
307.20462	2.8
321.21997	3.3
335.23660	5.3
339.23364	4.3
349.25183	3.1
367.26196	3.0
419.33228	5.0
429.31467	5.9
437.34134	10.3
447.32718	28.2
465.33633	31.4
483.34674	20.0
511.38153	3.4
521.35986	9.7
529.38916	12.0
536.93304	2.7
539.37329	100.0
557.38422	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56441	2.8
52.36545	2.2
53.03930	9.7
55.05506	21.9
57.03426	3.4
57.07065	4.7
57.64432	2.7
59.04967	2.2
65.03930	6.1
67.05503	57.0
69.07071	11.6
70.19001	9.4
71.05011	2.9
71.08637	30.0
72.91927	2.4
74.37428	2.4
79.05488	64.8
80.81790	2.3
81.03419	12.0
81.07054	64.3
83.04982	15.3
83.08601	10.5
85.06542	3.2
91.05477	56.2
93.06492	4.7
93.07042	67.1
95.04962	21.4
95.08604	39.5
97.06515	11.1
97.10182	4.3
99.08084	21.9
105.07022	43.2
107.04944	9.9
107.08586	34.1
109.06516	6.5
109.10144	16.7
111.08057	3.7
117.07008	11.4
119.08587	28.1
121.06507	3.1
121.10126	18.3
123.08052	7.0
129.07005	10.0
131.08563	10.1
133.10123	16.1
135.11694	28.8
137.09521	3.0
141.09096	4.4
141.50044	2.6
143.08578	7.6
145.10092	11.1
147.11702	19.9
149.13268	11.8
151.11209	15.3
151.12189	2.7
159.11652	5.7
161.09581	2.9
161.13235	21.2
163.11166	6.9
168.11172	2.4
170.06468	2.4
171.11694	17.5
177.12811	3.8
179.14297	100.0
189.12723	4.7
207.13800	9.9
235.16895	7.2
259.20547	3.6
277.21628	64.2
295.22696	6.0
512.89673	3.1
539.36993	3.7
557.38367	52.0
562.62115	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01861	2.6
55.05508	21.7
57.03431	7.9
57.07058	3.4
58.92859	1.4
59.04969	1.4
65.03927	1.9
67.05502	38.4
68.87711	1.2
69.07067	16.6
70.64279	4.4
71.04977	3.1
79.05489	37.6
81.03407	2.0
81.07052	41.6
83.04987	3.1
83.08605	8.1
85.06544	3.1
91.05474	37.4
93.07037	32.3
95.04958	5.1
95.08600	30.6
97.06529	5.5
97.10158	5.0
105.07030	33.3
107.04941	4.4
107.08588	17.5
109.06528	2.5
109.10145	11.7
111.08097	2.1
112.23787	1.2
115.05430	3.1
117.07020	18.0
119.08571	28.6
121.06519	2.9
121.10125	11.2
122.56609	1.2
123.08079	2.2
123.11687	3.5
125.09586	2.0
128.06250	4.6
129.06995	20.2
130.07791	1.5
131.08554	27.8
131.09523	1.6
133.10133	18.2
135.08032	2.4
135.11665	8.5
137.09645	1.9
139.47362	1.2
141.06976	8.1
142.07797	4.7
143.08556	25.8
145.06473	2.7
145.10117	28.9
146.10512	1.1
147.08051	1.7
147.11678	18.6
149.09622	2.3
149.13286	4.9
153.06932	1.7
154.07785	2.9
155.08536	23.9
156.09399	2.5
157.10115	24.7
159.08051	2.2
159.11681	22.7
161.09610	2.5
161.13248	10.9
163.11154	3.3
165.07045	1.8
167.08527	8.5
168.09377	3.3
169.10123	22.6
171.08122	1.4
171.11673	23.1
173.09479	1.5
173.13249	11.9
175.11176	1.8
175.14857	4.9
179.08517	3.1
181.10091	15.0
182.10884	2.6
183.11691	23.4
185.09686	2.3
185.13232	15.9
187.11189	3.0
187.14827	5.5
189.12761	2.1
193.10139	4.8
195.11674	15.5
197.13240	16.2
199.14815	11.0
201.16348	2.8
207.11700	4.1
207.13870	4.4
208.12486	1.4
209.13243	12.7
211.14810	10.9
212.89264	1.3
213.16350	9.7
219.11644	2.4
221.13287	5.0
223.14845	5.7
225.16385	3.6
231.17511	2.1
233.13283	2.0
235.14713	3.0
237.16397	5.2
239.17868	1.7
241.19569	5.0
247.14738	1.5
247.17020	1.9
251.18198	1.8
259.20563	11.0
261.22159	1.4
263.17914	1.6
279.15897	2.6
281.17404	7.4
285.22247	1.6
297.22095	2.5
305.21097	1.5
309.22229	1.9
311.20166	2.2
321.22086	3.4
323.23627	3.2
325.21649	1.6
327.23077	1.4
333.24243	5.2
335.23691	3.6
337.25320	2.3
339.23129	3.0
341.24765	1.5
349.25177	3.5
353.24600	1.6
355.26117	2.0
367.26450	1.8
379.26135	1.4
381.28073	1.9
419.33203	5.2
429.31427	7.8
435.32614	1.7
437.34042	12.1
447.32529	26.5
448.32840	2.0
465.33633	30.2
466.33591	2.1
483.34732	18.7
501.35803	3.1
503.34811	2.7
511.37970	2.3
521.36316	9.3
527.37561	1.8
529.38898	7.9
539.37274	100.0
540.37665	5.3
557.38354	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.7
55.01876	4.8
55.05510	27.0
57.03431	7.8
57.07071	3.1
58.41422	0.9
59.04996	1.2
65.03954	2.8
67.05505	50.1
68.05833	1.5
69.03438	1.2
69.07066	20.5
69.27554	2.0
69.27957	7.0
71.04986	4.4
71.08617	1.3
73.06547	1.5
75.42730	1.0
77.03916	0.9
79.05018	1.6
79.05490	41.1
81.03411	4.8
81.07053	49.4
83.04983	6.7
83.08605	10.0
83.08970	0.8
85.06542	1.9
91.04907	2.2
91.05478	40.4
92.05817	0.8
93.07041	40.6
95.04964	9.8
95.08604	34.0
97.06536	7.2
97.10150	5.5
98.21597	1.2
99.08089	1.4
103.05481	1.9
105.03415	1.2
105.07029	40.7
107.04976	8.2
107.08586	22.4
107.09283	1.0
109.06534	4.0
109.10153	10.4
111.08092	2.4
111.11764	0.9
115.05485	3.5
116.06235	1.1
117.07016	21.5
119.08580	30.4
120.08924	1.2
121.06543	2.7
121.10131	11.8
123.08086	3.6
123.11737	3.2
125.09650	3.2
127.07536	0.9
128.06223	6.2
129.07001	22.2
130.07785	1.8
131.08565	32.4
133.06451	1.7
133.09137	1.9
133.10121	22.6
133.11073	1.2
135.08134	2.8
135.11710	8.1
137.09706	1.4
139.11256	1.1
141.06956	9.0
141.07799	0.8
142.07767	5.2
143.08554	29.1
145.06548	3.6
145.10112	32.2
146.10500	1.1
147.08115	2.6
147.11678	17.7
147.12772	1.0
149.09669	3.6
149.13309	3.9
151.11217	1.4
153.07019	3.4
154.07727	4.3
155.08546	23.7
156.09351	2.2
157.06546	1.2
157.10127	24.5
157.11320	1.7
159.08147	3.2
159.11693	20.7
161.09671	3.1
161.13274	9.7
163.11142	4.3
163.14847	1.7
165.07031	2.7
166.07889	1.6
167.08537	10.2
168.09355	2.9
169.10126	25.4
171.08017	1.4
171.11678	25.8
173.09669	2.2
173.13272	13.8
173.14694	1.2
175.11241	2.1
175.14879	4.2
177.12738	2.0
179.08632	3.4
181.10121	16.1
182.10957	2.0
183.08162	0.9
183.11682	23.9
183.13222	1.7
185.09715	3.0
185.13284	14.1
187.11249	2.0
187.14781	5.8
189.12807	3.8
189.16385	1.3
193.10110	4.8
194.11044	1.6
195.11687	13.0
196.12517	1.4
197.13225	14.9
199.11299	1.6
199.14793	9.5
201.16447	3.6
205.10316	1.6
205.12273	1.1
207.11794	4.8
207.13867	4.9
209.13263	11.7
209.15117	1.1
211.14795	10.6
213.12947	2.3
213.16426	9.2
215.14383	1.5
215.18144	1.4
219.11819	1.3
219.17551	2.0
220.12758	0.9
221.13379	3.8
223.14928	7.4
225.12807	1.4
225.16422	4.2
227.12871	3.8
227.17969	2.2
229.16045	1.1
231.17372	1.4
231.21207	1.6
233.13280	1.4
235.14934	3.0
235.17000	1.1
237.16408	5.4
239.14380	1.7
239.18022	3.1
241.14340	1.1
241.19498	7.3
247.14758	1.4
247.17055	3.0
249.18674	1.5
251.18100	2.4
253.19745	1.6
255.17549	1.1
257.18982	4.4
259.20566	9.7
265.70215	0.9
269.19049	1.2
271.17105	1.3
271.20752	0.9
275.20190	4.9
277.21884	2.3
279.16074	3.6
281.17343	7.9
285.22241	2.2
287.20209	1.1
295.20740	2.1
297.22333	2.3
299.23788	1.7
307.20834	1.5
307.24258	1.2
309.22217	1.3
311.20325	1.2
311.23657	1.3
313.21811	3.3
315.23331	1.4
321.22070	3.3
323.23730	4.4
325.21762	1.7
325.25433	2.5
327.23575	1.3
333.24338	6.4
335.23788	3.7
337.25391	1.2
339.23254	2.5
341.24966	2.5
349.25446	1.6
353.24814	1.7
361.25137	1.3
363.27045	1.6
365.24860	1.7
367.26199	2.1
379.26321	1.3
391.26401	1.0
419.33179	5.0
429.31543	6.4
435.32544	1.6
437.34213	13.3
447.32675	25.8
455.35312	1.2
457.07312	1.1
465.33667	26.9
483.34787	18.0
493.37329	1.2
501.36160	3.2
503.35571	2.1
511.38098	4.0
521.36633	9.3
527.37347	2.7
529.38733	8.6
539.37335	100.0
540.37830	2.4
557.38513	61.8
558.38989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54590	2.2
53.03940	7.9
55.01871	16.1
55.05278	3.0
55.05513	45.9
57.03432	11.2
57.07060	3.1
65.03946	4.0
65.05424	2.4
65.44022	2.1
67.05504	78.5
69.03425	7.7
69.07071	29.1
69.87192	14.3
71.04983	6.1
79.05490	63.5
81.03416	38.6
81.07051	64.4
83.04971	15.3
83.08611	24.0
85.06533	10.7
91.05476	61.6
91.84338	2.4
93.07040	50.1
95.04965	54.4
95.08587	28.6
97.02901	3.7
97.06534	10.5
97.10180	24.6
99.08090	3.1
103.05468	3.5
105.07034	53.7
107.04939	19.5
107.08580	40.6
109.02879	6.7
109.06509	18.6
109.10151	20.7
111.04448	4.1
111.08085	7.0
112.78593	2.4
113.05999	7.1
113.09673	2.4
113.47419	2.3
115.05460	5.5
117.07022	23.7
119.08588	33.5
121.06504	10.5
121.10139	15.0
123.08067	7.1
123.11755	3.5
125.09652	16.5
128.06258	5.2
129.06982	20.3
131.08546	38.9
133.06511	7.8
133.10124	35.9
135.08017	12.5
135.11691	12.3
137.09642	3.8
141.07011	7.4
142.07797	5.1
143.08560	15.9
145.06508	6.4
145.10123	34.3
147.08063	10.7
147.11665	17.1
149.09628	10.1
149.13264	6.1
151.11208	7.5
153.09090	2.8
155.08559	12.5
157.10149	15.6
159.08090	7.2
159.11682	20.8
161.09656	8.8
161.13245	6.0
163.11140	11.7
165.07018	2.7
167.08513	4.4
169.10103	12.4
171.08073	5.4
171.11664	18.5
173.09637	8.4
173.13310	7.8
175.11234	8.2
177.12762	3.0
179.08577	3.2
179.14339	4.5
181.10159	6.9
183.11740	9.7
185.09663	6.8
185.13301	5.2
187.11226	4.3
187.14891	2.8
189.09187	3.9
189.11250	7.9
189.12827	3.0
193.10219	4.9
193.12254	7.1
195.11707	7.9
197.13239	7.6
199.11235	5.8
199.14946	3.6
201.12779	4.1
209.13258	8.0
211.11221	3.2
211.14807	4.0
217.15903	3.3
219.13727	3.6
223.13173	3.3
227.12825	8.5
229.12108	2.8
229.16052	2.6
237.16573	3.0
239.18028	3.4
253.14462	4.1
255.17409	2.9
257.19064	4.7
267.15924	7.9
273.18472	20.0
275.20013	20.7
284.58765	2.4
287.20038	5.1
291.19528	26.0
295.20447	3.4
297.18655	4.1
313.21594	14.7
329.20908	2.4
347.22192	4.8
389.44324	2.3
400.58643	2.6
419.29407	7.3
437.30542	7.1
447.29111	17.1
455.31390	3.7
459.26944	3.9
465.30008	37.5
483.31021	24.3
501.31485	2.8
511.34027	12.6
521.32916	5.8
529.35358	25.9
539.33667	65.3
557.34747	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	557.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08682	0.8
53.03935	3.6
54.68620	0.9
55.01869	6.4
55.05506	25.4
56.52619	0.9
57.03431	4.6
59.04988	1.6
65.03928	2.1
67.05135	1.3
67.05501	31.8
69.03433	5.1
69.07064	21.5
71.04987	2.6
79.05491	33.4
81.03410	28.4
81.07050	30.6
83.04968	6.4
83.08613	13.9
85.02904	1.8
85.06551	1.6
91.04900	1.9
91.05473	30.5
91.06033	1.9
93.04538	0.9
93.07034	23.1
95.04962	15.0
95.08604	15.0
97.02878	5.9
97.06535	6.3
97.10159	14.7
98.21529	1.7
99.08076	1.2
103.05485	1.5
105.04471	1.3
105.07026	24.1
107.04946	14.6
107.08579	16.3
109.06506	7.5
109.10142	7.9
111.04453	1.7
111.08073	3.1
115.05447	2.3
117.06999	11.6
119.04921	2.1
119.08568	16.3
121.06503	5.3
121.10150	7.4
123.08059	4.7
123.11692	1.9
125.09631	11.9
128.06206	2.9
129.06976	10.2
131.04929	2.3
131.08551	14.8
133.06483	3.8
133.10100	10.8
135.08067	5.5
135.11699	3.7
137.09607	2.5
141.06975	3.5
142.07736	2.0
143.08562	6.0
145.06483	2.7
145.10123	12.2
147.08038	5.4
147.11653	7.8
149.09602	4.0
149.13263	2.1
151.11151	1.0
153.09082	2.3
155.08542	3.6
157.06598	1.2
157.10129	8.7
159.08006	2.8
159.11678	6.7
161.09621	3.7
161.13200	1.1
163.11166	5.9
167.08517	2.1
168.09325	0.9
169.10176	2.7
169.12120	1.1
171.08070	1.4
171.10291	1.1
171.11696	3.8
173.05986	1.0
173.09630	2.6
173.13260	2.9
175.11137	5.6
175.14784	1.2
177.12747	2.3
179.14374	1.3
181.10104	1.1
183.07990	1.1
183.11685	3.5
185.09659	2.9
185.13286	2.4
187.11180	1.9
189.11253	6.6
191.10611	1.2
193.12251	6.2
195.11784	1.7
195.13658	1.1
197.13312	1.5
199.11150	1.7
201.12764	2.4
203.39862	0.9
207.11766	1.3
209.13350	1.3
211.11224	1.2
211.13138	1.2
211.14983	1.0
213.12695	1.7
215.14328	0.8
219.13771	8.2
223.13200	7.4
227.12666	7.6
229.19507	1.1
239.14307	1.0
239.17972	1.4
245.18973	1.0
249.14943	1.9
257.18979	2.9
267.15878	1.7
273.18506	10.9
275.20084	8.0
283.10394	0.9
285.22049	1.0
291.19516	46.6
292.19952	1.0
295.20432	1.3
297.18552	1.2
299.20056	1.0
313.21552	5.6
315.19543	2.0
331.22659	1.8
333.20837	1.0
347.22406	1.6
353.20917	1.1
365.23138	1.6
367.22418	0.9
369.24374	1.2
371.22137	1.8
389.23032	1.1
429.27652	1.0
437.30887	1.3
445.25928	3.6
447.29178	2.9
465.30026	4.1
483.12698	0.9
483.31055	5.1
539.33514	17.6
557.34698	100.0
558.34766	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1779
Annotation	Chaboside
Peak:m/z	Relative Intensity
51.64338	0.5
55.05503	0.9
57.03408	0.4
59.05037	0.4
67.05505	0.6
69.03422	0.9
69.07058	0.5
69.68799	2.8
69.84213	0.4
79.05472	1.1
81.03410	1.0
81.07046	1.4
83.04989	0.5
85.02917	0.8
91.05484	1.5
93.07029	1.8
95.04997	0.6
95.08588	1.4
97.06504	0.5
97.97563	0.4
98.20865	0.7
105.07024	0.9
107.08582	1.3
109.02833	0.5
109.06498	0.6
119.04942	0.6
119.08586	0.6
121.06509	0.6
121.10171	1.0
123.08062	0.5
124.66273	0.4
127.03827	0.5
131.08530	0.6
133.06497	0.4
134.76544	0.4
135.08041	0.4
137.06010	0.6
139.03896	0.5
145.10144	0.6
147.04384	0.5
147.08028	0.5
147.11726	0.9
159.11647	0.6
175.03851	0.6
177.05424	0.5
194.93909	0.4
207.06479	1.0
239.81010	0.4
361.69403	0.4
395.12265	2.0
459.27472	1.5
557.17798	100.0
558.18408	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	556.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13822	1.0
51.98324	1.0
55.05513	1.6
56.05856	1.3
60.08016	1.0
67.05504	1.5
67.98987	1.0
71.04993	3.9
71.51131	1.4
71.51529	1.3
73.02905	1.0
79.05495	3.3
81.03436	4.3
81.07050	8.1
85.02899	2.7
91.05471	11.6
93.07050	5.9
94.06595	1.8
95.05006	1.8
95.08622	4.1
96.04479	1.5
97.02948	1.5
97.06580	1.4
105.07062	2.2
107.04932	1.1
107.08564	5.2
109.02882	1.1
109.10134	1.3
112.07644	2.0
119.04943	20.0
119.08583	1.6
121.10163	2.1
122.06055	3.3
129.03392	1.4
131.08636	1.3
133.10136	2.5
135.11694	5.4
140.07069	6.6
145.10121	1.5
147.04428	15.8
147.11813	1.2
147.17412	1.1
152.18619	1.2
153.12724	18.9
157.03993	1.7
158.08131	4.6
161.05928	1.2
172.12074	1.2
175.03911	34.1
177.05367	1.2
179.07069	2.1
192.04333	1.3
207.06517	100.0
208.07010	1.4
351.10751	3.2
369.11731	12.6
556.27759	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	557.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35519	1.0
55.01879	1.6
57.03428	1.4
58.99855	1.4
61.02918	1.4
69.03417	6.9
73.02909	2.2
73.23609	1.1
73.85952	1.3
77.72514	1.1
81.03400	2.2
82.99862	2.4
85.02901	14.5
91.03918	1.1
97.02886	6.6
98.97607	1.9
101.00866	14.2
109.01407	1.2
109.02866	3.2
113.00865	3.3
116.91961	1.0
116.98594	1.4
117.04005	1.8
119.01923	45.0
127.02401	4.8
127.03896	6.4
131.01897	16.0
133.03543	2.5
135.04239	1.5
135.05132	1.4
137.02954	6.5
137.99255	1.0
141.03969	1.8
142.03508	1.5
143.01892	24.1
145.03490	39.4
145.04883	3.3
146.99554	1.2
147.01378	2.5
147.05017	1.8
149.02972	1.9
153.01752	1.4
153.03923	3.1
155.01860	17.7
157.03462	11.5
159.05023	11.3
161.02954	39.6
162.03075	1.2
163.03983	9.1
167.01836	7.0
167.07057	2.1
168.05092	1.4
169.03455	32.5
171.01331	3.4
171.05023	14.2
173.02965	28.6
175.02751	1.3
175.04509	4.1
177.05800	1.0
179.01855	3.3
181.03386	5.5
185.02957	47.0
187.02875	2.4
187.04506	59.0
188.04662	1.6
189.02426	10.5
189.06039	3.3
191.03989	2.8
192.05544	1.3
195.01395	1.5
196.04614	1.5
197.02966	19.7
197.08179	1.6
199.04518	11.1
201.02412	1.5
201.06032	3.3
203.04012	15.8
205.05586	1.3
207.03474	2.6
207.05168	1.4
208.04549	2.7
209.02896	1.7
210.06116	2.6
210.72993	1.1
211.04567	8.3
213.02501	7.3
213.06015	1.4
215.00464	1.3
215.04018	19.2
217.05528	1.3
219.01765	2.0
221.02924	4.1
221.05049	4.4
223.04468	2.9
224.06252	1.6
225.02367	4.1
227.04010	10.3
229.05536	5.0
231.03491	20.4
237.02727	1.3
239.04015	2.4
241.05701	1.8
243.03447	2.3
245.05072	100.0
246.05240	2.6
247.04730	2.7
251.02495	1.1
253.05519	1.8
257.01355	2.9
257.05008	4.3
261.02478	1.2
263.06180	13.6
271.06644	7.1
272.06625	1.6
273.04474	1.9
273.08224	1.6
275.02475	32.9
275.06079	49.2
276.02802	1.2
281.07114	3.5
281.20819	1.1
287.02435	11.0
287.06018	4.8
293.03476	13.9
293.07156	9.9
296.08646	1.6
297.04581	1.3
305.03519	14.0
305.07202	12.5
315.05768	3.1
316.05246	2.0
316.08737	1.4
317.03622	1.5
317.07162	2.1
333.06592	3.5
335.04498	11.8
335.08163	7.5
341.03363	2.7
351.11566	1.5
359.04547	14.0
359.08456	1.7
359.13086	1.3
365.09280	10.9
377.05536	28.0
377.09756	1.6
385.61646	1.2
395.06622	40.3
401.03302	1.3
437.09247	9.4
449.09335	1.6
539.10852	4.7
557.11633	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	555.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01868	28.7
55.05510	27.6
57.03444	2.5
57.07077	3.7
65.03929	5.3
67.05502	73.4
69.03426	2.6
69.07068	39.2
71.04996	4.0
71.08614	1.7
73.06545	2.9
76.03221	1.5
79.05492	72.4
81.03418	16.6
81.07054	72.6
81.07536	3.5
83.04988	13.9
83.08618	9.2
83.28136	1.7
85.06540	3.9
91.05478	79.4
93.07041	62.0
95.01328	11.4
95.04967	23.7
95.07990	2.6
95.08602	45.2
95.09186	3.4
97.02864	1.7
97.06528	55.6
97.10164	6.9
99.08064	1.7
103.05438	2.7
105.07027	85.7
106.57018	1.6
107.04952	27.8
107.08589	26.0
109.06522	8.1
109.10143	14.3
111.08073	3.2
115.05502	2.4
117.07025	19.5
119.08577	50.6
121.06487	3.6
121.10152	11.8
123.04402	2.1
123.08047	9.0
123.11700	3.2
125.09595	4.2
128.06184	2.9
129.07004	12.7
130.07762	2.8
131.08559	23.1
133.06461	2.6
133.10126	41.4
135.08055	3.6
135.11670	8.8
137.09589	2.1
139.07504	2.2
141.06982	3.2
143.08586	11.0
145.06520	3.8
145.10109	24.8
147.08017	2.5
147.11674	32.5
149.09570	10.2
149.13232	4.4
151.11172	1.5
155.08595	3.1
157.10100	4.5
159.11716	15.8
161.09619	4.2
161.13264	14.3
163.11165	6.3
165.09085	2.8
169.10130	4.5
171.11682	15.1
173.13261	6.9
175.14824	2.1
177.12769	4.9
179.14305	21.3
183.11653	3.0
185.13231	2.3
187.11183	4.4
189.12761	6.5
197.13257	3.3
205.12294	2.2
207.13832	8.6
229.19620	3.0
239.17981	2.3
241.14305	1.7
241.19450	2.9
247.20610	4.2
257.18970	7.8
259.20605	7.1
275.20050	100.0
279.15897	11.4
281.17480	2.4
293.20950	8.6
349.23663	4.5
537.35651	4.5
555.36548	50.9
579.25500	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	555.368
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.03934	3.3
55.01855	3.4
55.05508	17.7
57.03452	4.6
57.07074	1.5
59.04993	2.1
65.03945	3.3
67.05503	43.0
69.03436	1.2
69.07065	10.2
69.24815	9.7
71.05000	1.7
79.05493	24.9
81.03414	4.3
81.06596	1.9
81.07056	31.1
83.04973	3.7
83.05412	1.0
83.08614	10.2
85.06530	2.4
91.05482	29.5
91.06034	2.2
93.06474	2.0
93.07037	21.1
95.04951	5.8
95.08606	17.3
97.06521	5.2
97.10172	6.4
98.21591	1.4
99.08125	0.9
105.07030	22.9
105.07708	1.8
107.04935	5.9
107.08591	12.1
109.06499	5.4
109.10147	17.9
111.08034	1.9
115.05469	3.0
116.06254	2.1
117.07005	13.3
119.04960	1.2
119.08575	16.7
121.06505	2.4
121.10130	6.1
123.08061	3.5
123.11700	2.4
125.09633	3.7
128.06229	5.0
129.06990	16.3
130.07773	1.6
131.08549	16.6
133.06566	1.2
133.10133	8.5
135.08049	2.3
135.11650	4.7
137.09595	3.3
141.06984	8.9
142.07797	2.2
143.08560	15.8
145.06512	3.0
145.10106	14.4
147.08125	1.8
147.11674	6.8
149.09633	3.2
149.13269	1.3
153.06996	2.2
154.07765	2.9
155.08577	12.2
156.09377	2.1
157.06454	1.4
157.10114	12.6
159.08041	1.9
159.11703	9.8
161.09647	1.6
161.13275	3.5
163.11168	2.5
165.07016	2.7
165.12817	1.1
165.70253	1.0
166.07683	1.5
167.08604	6.1
168.09373	1.5
169.10123	14.8
171.08095	2.4
171.11659	12.7
173.11749	4.1
173.13295	5.5
175.11105	2.3
178.07797	1.6
179.08577	3.7
181.05023	1.4
181.10130	8.7
183.08119	1.0
183.11697	12.0
185.09631	2.8
185.13272	6.2
187.11197	2.6
187.14861	2.1
189.11220	2.5
191.43309	1.0
193.10141	4.0
195.11670	6.7
197.09727	1.5
197.13228	8.1
199.14818	4.1
201.12695	1.1
207.11774	4.1
207.13632	1.8
209.13200	5.8
211.11148	1.5
211.14815	5.1
215.17987	1.3
217.15932	1.3
219.11708	1.3
221.13322	2.9
223.13120	2.1
223.14978	2.2
225.16452	2.1
227.12698	2.0
229.14392	3.6
233.13397	1.7
235.14809	2.7
237.16394	1.3
241.14412	1.1
255.17601	1.1
257.18958	3.9
269.19037	1.0
275.20142	8.2
295.20578	1.8
297.22137	2.3
305.19159	1.1
307.20831	1.2
309.22076	6.4
311.23856	2.8
313.21521	1.7
323.20084	1.8
325.21420	1.6
327.23151	5.5
331.22913	1.0
337.21515	1.6
339.23151	1.7
351.23199	2.4
365.24734	1.6
383.26114	1.5
417.31573	1.6
427.30182	2.2
435.32434	3.3
443.27661	1.3
445.30966	9.5
463.32028	12.2
481.32986	7.9
499.34491	2.6
527.37140	3.7
537.35712	24.4
555.36792	100.0
556.37683	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	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.03934	9.2
55.01871	22.4
55.05509	35.8
57.03435	4.7
57.07065	5.9
65.03941	6.4
67.05502	82.4
69.03425	2.6
69.07063	40.2
69.19019	15.1
71.04986	5.3
71.08643	2.5
73.06562	2.3
77.03952	1.7
79.05488	97.3
81.03413	12.7
81.07051	72.4
81.07541	3.0
83.04982	16.5
83.08617	15.5
84.26658	1.5
85.06551	4.8
91.05476	95.6
93.07036	75.0
93.62103	1.5
95.04963	30.3
95.08604	46.7
97.06526	34.9
97.10162	6.7
97.36153	1.3
98.98450	7.0
103.05482	4.2
105.04514	4.1
105.07027	75.6
107.04948	18.4
107.08586	38.1
109.06506	11.3
109.10147	15.6
110.79784	1.2
111.08082	2.9
113.09653	3.3
115.05466	4.8
117.06142	1.5
117.07008	31.7
119.08576	49.6
121.06507	9.1
121.10143	17.4
121.67141	1.2
123.08058	7.2
123.11682	2.5
125.09643	2.6
128.06227	6.8
129.06998	22.3
130.04170	1.3
130.07744	3.2
131.08556	33.8
133.06516	3.9
133.10126	36.3
135.08052	6.7
135.11697	9.1
137.09676	4.6
137.13197	2.0
137.53372	1.2
140.63605	1.4
141.06964	7.6
142.07817	2.4
143.08551	19.0
145.06503	2.2
145.10117	36.0
147.08038	4.3
147.11671	43.6
147.12814	2.5
149.09601	21.1
149.13274	2.3
151.11153	3.4
152.56248	1.7
154.07756	2.0
155.01018	12.3
155.08543	8.7
156.09370	1.5
157.10107	11.5
158.55220	1.3
159.08049	2.2
159.11687	25.6
159.12891	2.3
161.09642	5.6
161.13239	19.3
163.11168	17.5
165.05534	1.5
165.09004	2.1
165.12848	1.6
167.03424	5.3
167.08585	2.1
168.09364	1.6
169.10106	12.2
171.08032	2.6
171.11679	30.7
173.09589	1.9
173.13240	8.8
175.11209	1.7
175.14810	1.4
177.12779	4.5
179.14282	12.7
181.10149	4.6
183.11684	9.6
185.13258	6.0
187.11212	4.2
187.14821	3.4
189.12714	10.3
193.05067	2.8
195.11766	3.3
197.13243	5.8
199.14832	1.5
201.12732	2.8
201.16217	1.4
205.12206	2.1
207.11893	2.6
207.13786	17.6
209.13283	2.7
211.14833	3.1
213.16330	1.9
221.04489	3.6
221.13290	1.9
229.19485	8.6
239.17938	9.4
247.20592	3.8
255.17439	2.5
257.18994	40.5
259.20663	3.0
275.20062	71.8
281.17407	14.9
281.19977	1.5
293.21033	7.1
313.21622	2.9
313.27328	9.8
331.22604	6.8
349.23819	2.8
445.30893	5.1
463.31897	5.7
481.33255	3.1
537.35651	15.3
555.36798	100.0
556.37073	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	555.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.9
51.42787	1.3
53.03938	10.6
55.01867	25.6
55.05504	29.9
57.03431	7.3
57.27198	1.5
65.03926	7.7
67.05502	81.8
69.03423	3.0
69.07063	32.6
69.19697	18.4
71.04971	3.7
79.05490	84.7
81.03416	17.0
81.07052	73.2
83.04968	13.1
83.08613	13.0
85.06539	5.9
91.05477	91.6
93.07041	64.0
93.07639	3.0
93.49078	1.6
95.01344	10.3
95.04964	28.0
95.08602	50.0
97.06526	44.6
97.10173	9.0
99.08134	1.5
101.41238	2.2
103.05460	3.2
105.04505	2.9
105.07025	83.0
107.04957	20.9
107.08585	28.2
109.06509	7.3
109.10152	19.7
111.08066	3.7
113.09669	2.4
115.05458	4.6
117.07019	29.8
119.08572	44.3
119.09377	2.9
121.06512	5.7
121.10135	13.1
123.08080	5.1
123.11703	2.7
125.09644	5.2
127.07580	1.6
128.06181	8.0
129.06989	21.8
130.07755	1.8
131.04907	3.5
131.08562	29.2
133.06523	3.5
133.10118	36.2
135.08026	4.7
135.11710	9.0
137.09618	3.6
137.13251	1.8
139.07504	3.0
141.06992	6.7
142.07808	2.1
143.08545	18.7
145.06512	6.6
145.10114	27.2
147.08038	3.2
147.11668	34.4
149.09624	10.3
149.13264	4.7
153.06923	2.1
154.07750	3.4
155.08568	9.3
156.09297	2.5
157.10115	11.0
159.08026	3.1
159.11682	18.5
161.09641	4.2
161.13239	15.4
163.11192	8.0
167.08517	3.4
169.10104	10.1
171.08034	2.3
171.11659	21.1
173.09644	3.1
173.11821	2.5
173.13249	9.2
177.12773	5.4
179.14320	15.0
181.10147	5.2
183.11711	7.0
185.13318	6.3
187.11211	6.7
187.14868	3.5
189.11264	2.8
189.12813	5.6
193.10210	2.5
193.12309	2.1
195.11731	4.7
197.13297	9.4
199.11015	1.8
199.14835	3.3
201.12709	1.9
203.14619	1.8
207.11848	3.2
207.13835	10.1
209.13361	4.5
210.21942	1.7
211.14828	3.5
213.16524	2.3
229.19453	3.5
235.14899	1.8
239.18015	4.0
241.14429	2.3
247.20622	5.0
255.20110	2.3
257.18918	13.6
259.20642	4.1
275.20056	83.9
277.19492	1.9
279.15958	5.1
281.17496	3.4
293.21170	6.0
297.22076	2.2
309.22189	3.4
311.20270	2.1
313.21707	2.8
321.11429	1.7
327.23160	2.2
331.22989	3.6
331.63025	2.3
349.23816	3.8
365.24719	2.2
445.31070	3.7
463.32150	8.7
481.33194	6.3
485.90082	1.8
527.37958	3.0
537.35742	14.0
555.36841	100.0
556.37170	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03945	8.4
54.88146	0.9
55.01635	1.3
55.01874	16.2
55.05508	31.5
57.03432	6.6
57.07076	1.1
59.98616	1.0
60.03386	1.0
65.03938	7.1
67.05504	75.5
69.03430	2.4
69.07067	29.1
69.99823	1.8
70.00234	4.1
71.04992	3.3
73.06564	1.6
77.03948	1.3
79.05490	100.0
81.03423	11.4
81.07053	65.0
83.04974	16.5
83.08618	13.9
85.06534	4.2
91.05476	87.7
93.07040	69.3
95.01305	1.4
95.04971	27.1
95.08606	46.3
97.06527	24.1
97.10175	9.5
98.21330	1.4
99.08132	1.0
103.05469	4.3
105.04527	3.1
105.07028	69.3
107.04957	20.2
107.08589	46.8
107.09315	2.4
109.06524	12.5
109.10151	15.9
111.04441	1.3
111.08095	3.7
112.97369	1.2
113.09638	1.6
115.05469	3.9
116.06213	1.8
117.07011	28.1
119.08582	45.5
121.06501	5.5
121.10141	15.5
123.04424	2.0
123.08042	7.8
123.11732	4.0
124.54821	1.1
125.09628	7.0
128.06213	5.3
129.07002	21.0
130.07803	3.2
131.08553	25.7
133.06491	2.0
133.10123	28.9
135.08073	6.4
135.11713	7.7
137.09610	4.6
141.06990	4.8
142.07777	3.0
143.08563	18.3
144.09328	1.3
145.06413	2.5
145.10114	38.4
147.08047	3.5
147.11679	37.5
149.09605	15.1
149.13284	3.5
151.11185	2.7
153.07056	1.5
153.09074	1.3
155.08562	8.3
156.09317	2.6
157.10092	11.2
159.08015	2.1
159.11697	19.3
161.09669	4.2
161.13258	15.9
163.11165	12.7
163.14859	1.7
167.08519	2.5
168.09338	1.1
169.10083	7.5
171.10330	0.9
171.11676	26.0
173.09642	2.4
173.11876	2.2
173.13200	7.6
175.11200	2.1
177.12735	2.9
179.14333	7.8
181.04858	1.7
181.10143	4.2
183.11685	6.4
185.09634	1.7
185.13229	5.2
187.11226	3.9
187.14815	1.4
189.11238	2.9
189.12781	7.3
193.10210	1.3
195.11723	3.3
197.13316	5.0
199.14906	1.7
201.12685	2.3
205.12169	1.9
207.11835	2.4
207.13770	13.8
208.12398	1.2
209.13283	3.2
211.14761	2.7
213.16495	1.4
215.14693	1.2
215.18062	2.3
221.13318	1.5
225.14809	3.1
227.18288	1.0
229.19569	4.1
239.17950	5.9
247.20430	2.3
257.19000	25.7
257.21576	1.6
273.18521	1.4
275.20050	68.5
279.15921	1.8
281.17465	10.5
293.21207	5.8
298.88965	1.1
311.23755	2.2
313.21695	2.8
331.22699	4.7
339.22995	1.4
349.23901	2.6
351.23129	1.3
383.76965	1.1
445.30930	4.4
463.32098	3.8
466.55759	1.2
481.33295	2.1
519.34338	1.3
537.35828	11.4
554.97278	1.3
555.36816	73.8
556.37720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.4
53.03941	9.8
55.01868	14.3
55.05509	36.3
55.05766	2.7
55.71779	1.4
57.03434	8.8
57.07083	1.5
59.04985	1.9
65.03953	7.1
66.12988	1.3
67.05504	69.3
67.26090	1.5
69.03426	3.9
69.07067	28.8
69.86266	2.8
69.86678	5.8
71.04998	5.1
71.64577	1.7
71.90419	1.5
73.06565	3.7
77.03947	1.7
78.94090	1.5
79.05490	100.0
81.03407	13.6
81.07052	98.7
83.04987	14.2
83.08617	14.8
85.06557	4.9
90.51546	1.6
91.05476	90.5
93.07040	71.4
95.01389	1.9
95.04963	29.0
95.08606	42.3
95.09174	2.8
97.02908	2.0
97.06528	17.0
97.10158	8.9
99.08115	1.8
103.05490	3.3
103.35142	1.6
105.04576	2.2
105.07027	66.9
107.04947	21.8
107.08591	40.8
109.06516	32.3
109.10152	13.7
111.04602	1.6
111.08112	4.6
114.79342	1.4
115.05506	3.3
117.01044	1.6
117.07022	26.3
119.08577	50.2
121.06543	5.9
121.10130	17.1
123.04403	2.0
123.08066	8.4
123.11740	4.5
125.09663	7.3
128.06264	5.3
129.07001	20.4
130.07805	1.9
130.78879	1.5
131.08565	29.0
133.06517	3.3
133.10133	26.2
135.08028	10.1
135.11749	5.9
137.09680	4.3
141.07019	4.8
142.07780	2.9
143.08565	14.4
145.06538	4.8
145.10129	34.5
147.08061	3.8
147.11682	35.5
147.12801	2.1
149.09610	16.0
149.10547	1.4
149.13339	7.0
151.11278	3.2
154.07834	1.7
155.08624	6.8
157.10106	11.3
159.08058	2.8
159.11690	16.8
161.09708	4.8
161.13274	15.4
163.11174	9.5
163.14883	2.6
164.36981	1.6
167.08644	4.1
169.10196	7.1
171.08159	2.3
171.11676	23.0
171.12946	1.9
173.09676	3.8
173.11987	2.0
173.13280	8.3
175.11281	2.7
175.14844	1.9
177.12794	2.8
179.14368	6.4
181.04951	2.0
181.10213	4.2
182.10942	2.0
183.11755	7.2
185.09808	2.1
185.13359	2.9
187.11288	4.5
189.05548	2.2
189.11322	2.8
189.12866	7.7
195.11748	3.6
197.13397	5.9
199.14969	2.0
201.12749	1.7
207.13733	13.9
229.19672	7.1
239.17935	7.3
247.20650	3.2
257.19000	25.8
273.18744	2.2
275.20062	77.4
281.17715	6.5
286.42142	1.8
293.20956	7.9
295.20755	1.6
313.07153	1.6
331.22910	4.6
349.23874	3.4
429.30338	2.5
445.31281	4.3
463.32327	3.7
481.33237	2.5
537.35938	12.0
555.37054	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62874	2.2
53.02829	2.2
53.03923	2.9
55.05492	7.2
58.50696	2.9
59.05018	2.7
65.03935	3.8
67.05492	9.6
69.03414	11.0
69.07047	8.2
69.97149	11.9
71.05001	12.8
74.18118	2.5
79.05484	18.6
79.87612	2.6
81.03401	9.0
81.07059	34.3
83.04963	5.1
83.08643	2.5
85.02905	6.9
91.05477	23.5
92.98077	2.6
93.07049	19.1
95.04956	10.1
95.08600	18.9
97.02878	4.5
97.06531	5.8
97.10160	4.1
105.07030	14.9
107.04939	9.4
107.08582	32.5
109.02892	3.0
109.06513	10.3
109.10128	15.1
117.03413	3.6
117.07032	3.4
119.04912	6.9
119.08553	8.2
121.02865	5.9
121.06487	9.5
121.10147	71.4
122.07278	6.3
122.10431	4.0
123.08051	7.4
123.11698	23.1
125.05981	9.5
125.09626	6.4
127.03909	4.9
131.04881	2.5
131.08563	8.1
133.06430	4.5
133.10126	100.0
135.08066	15.1
135.11629	3.9
137.05974	6.3
137.09605	58.2
137.37488	2.9
139.11185	21.0
143.08464	3.5
143.10629	3.5
145.02831	5.0
145.06479	4.8
145.10103	4.0
147.04402	10.5
147.11696	6.5
149.09598	17.8
149.13235	9.9
149.89117	3.1
151.07516	3.1
151.11172	7.6
161.05972	2.6
161.13193	3.4
163.14799	4.6
167.07025	6.5
167.10683	46.8
173.13217	8.2
175.03877	10.7
177.05447	8.4
179.07086	2.8
185.11725	26.0
189.09059	3.7
191.14296	59.6
191.15880	4.7
191.86591	3.2
193.08636	3.0
207.06500	27.2
209.15355	23.3
259.32297	2.8
311.14987	5.3
329.16022	13.3
335.09540	3.3
344.16144	3.3
347.16754	3.9
438.24335	2.7
443.33200	2.7
468.69733	2.9
516.80042	3.2
541.39294	4.1
555.28021	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00976	1.6
51.80599	2.1
55.05505	5.8
57.07071	3.1
59.05002	3.4
64.41644	1.7
65.03928	2.2
67.05500	11.1
69.03418	10.3
69.07060	5.8
69.22565	21.1
71.04989	11.1
79.05475	12.4
81.03397	5.7
81.07057	31.7
83.05013	3.4
85.02900	6.5
85.06556	2.0
89.85578	1.8
91.05479	12.1
93.07040	19.2
95.04971	8.0
95.08604	15.4
97.02901	4.4
97.06528	9.7
97.10165	2.9
98.05649	2.1
105.07047	13.9
107.04318	1.8
107.04934	10.3
107.08582	26.1
109.02882	4.5
109.06488	3.6
109.10145	10.9
115.05508	1.8
117.06977	3.3
119.04909	3.7
119.08582	9.6
121.02844	7.4
121.06482	5.1
121.10139	76.8
122.07293	4.3
123.04449	2.7
123.08040	4.8
123.11710	19.8
125.05979	12.5
125.09599	4.6
127.03920	5.6
131.04936	3.5
131.08560	7.1
133.10127	100.0
135.08043	11.7
135.11708	3.0
137.05956	5.6
137.09618	56.0
139.11150	17.6
143.10664	4.3
145.10088	2.7
147.04413	4.5
147.08051	3.0
147.11697	4.0
149.05931	2.9
149.09593	11.1
149.13277	10.2
151.11154	3.0
157.10193	2.4
161.05981	2.0
161.09544	2.4
163.07590	3.3
163.14832	2.2
167.10667	46.6
172.82164	2.0
173.13266	7.8
175.03906	7.2
177.05467	8.4
185.11720	19.7
191.14302	57.3
207.06525	12.7
209.15367	21.9
231.13893	2.8
311.14893	5.8
329.15964	14.0
344.15936	2.8
347.16989	6.0
419.83328	2.0
519.29730	2.8
555.28137	53.5
556.27740	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	555.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01875	3.5
55.05513	8.2
57.03197	0.8
57.03438	8.1
57.07074	28.2
65.03938	0.9
67.05500	18.7
69.03427	1.0
69.07069	12.1
69.30262	5.5
69.30677	1.3
71.04974	1.5
71.08631	22.8
79.05493	10.4
81.03416	8.7
81.06599	1.3
81.07050	22.3
83.04962	2.3
83.08615	10.8
85.10177	9.9
91.05482	9.9
93.07047	10.6
95.01319	0.7
95.04954	3.6
95.08604	24.3
97.06518	6.8
97.10173	4.0
98.98463	78.9
99.04454	1.5
105.07027	9.6
107.04940	3.0
107.08602	4.0
109.02888	4.9
109.06499	1.2
109.10151	10.4
109.62740	0.7
111.04413	0.8
111.11706	0.9
114.42607	0.8
116.99470	3.6
117.07021	4.0
119.08578	6.2
121.06494	1.1
121.10128	1.5
123.08055	1.5
123.11701	3.9
125.13296	1.0
127.03923	1.0
127.07442	0.7
129.06976	2.6
131.08574	3.7
133.10124	4.9
135.08041	1.0
135.11673	1.3
137.09637	1.1
137.13327	1.6
140.01100	1.4
141.06960	1.0
145.10117	3.3
147.11682	5.0
149.09566	1.3
151.11217	0.9
155.01033	100.0
157.10127	1.0
159.08031	0.8
159.11697	2.0
161.13264	1.5
163.11148	1.6
169.10133	1.8
171.11690	3.3
173.02107	1.0
173.13292	1.9
179.14328	2.0
181.04964	1.0
196.03622	1.1
207.13890	0.9
239.23691	10.9
243.02699	1.2
257.24698	0.9
260.17499	0.8
275.20041	12.2
293.21127	1.3
302.53467	0.8
313.27356	66.0
314.27917	1.3
317.06366	6.9
383.27847	1.7
393.23959	6.4
401.28958	5.8
481.03052	0.8
537.28064	2.6
555.36719	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	555.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.3
55.01864	7.4
55.05490	6.3
67.05499	16.2
69.03410	13.9
69.07056	9.8
71.04985	7.0
71.50597	6.0
79.05486	16.2
81.03419	25.9
81.07053	35.1
83.04993	18.4
85.02900	12.2
85.06543	8.0
91.05488	9.5
93.07028	45.1
95.04991	18.9
95.08595	20.7
97.02886	10.2
97.06514	22.7
99.04443	13.6
105.05476	4.2
105.07018	35.9
107.04960	4.8
107.08595	29.6
109.02857	28.1
109.06512	22.8
109.10124	8.2
111.08054	18.7
113.06002	6.6
119.04930	5.0
119.08555	20.4
121.06490	55.4
121.10119	10.7
123.06514	4.3
123.08024	7.2
123.11695	10.9
125.05956	15.3
127.03905	33.6
127.07539	12.0
133.10107	15.0
135.08060	11.2
137.05937	10.8
139.07524	15.7
143.07065	7.4
145.10141	7.5
147.11690	48.2
149.13254	5.0
151.11148	7.8
157.08736	8.6
157.10115	17.4
161.09625	5.3
161.13220	9.5
165.12776	18.0
169.12234	9.0
171.11688	11.6
173.09624	5.0
175.11162	27.8
180.09935	4.1
187.06075	9.6
189.12753	17.5
193.12204	28.0
197.12894	7.0
199.11211	23.8
207.13771	16.6
211.13206	19.9
217.12222	64.7
229.14337	9.3
235.13257	100.0
253.14330	95.5
253.16878	6.9
271.15451	8.8
275.97495	4.1
291.10764	4.6
302.72864	4.3
379.17444	12.6
382.49142	4.0
397.18457	14.6
415.19431	5.6
464.34036	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	555.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
65.03922	1.0
67.05497	2.3
68.14788	0.9
68.99783	3.2
69.58794	6.9
72.98891	0.9
79.05492	2.6
80.19806	0.8
81.07038	2.1
86.70149	0.8
88.62070	0.9
91.04950	1.4
91.05480	9.9
93.07026	1.9
95.04977	4.5
95.08598	1.0
100.26453	0.9
103.05456	1.6
105.03411	1.2
105.07034	1.5
107.04932	3.4
107.08615	1.5
109.06516	3.4
109.10122	1.4
111.04402	1.1
115.05411	0.9
118.04220	1.1
118.74445	1.0
119.04969	2.4
119.08544	1.0
121.06486	5.0
123.00813	1.8
123.04333	1.3
123.08129	1.0
123.34935	0.9
125.02331	2.2
125.05957	2.4
129.06960	1.5
133.10066	1.3
134.03645	2.1
135.84407	0.9
137.05975	11.2
141.05513	2.4
147.04411	2.2
148.05098	1.2
149.02359	0.9
149.05975	7.9
150.03107	4.1
151.03886	1.3
151.07571	6.4
155.07037	27.9
163.03871	1.5
163.07556	6.6
164.04660	5.6
165.05481	3.5
167.03400	47.7
178.02614	7.6
179.03355	4.4
179.06987	2.9
179.08524	1.3
181.04961	40.9
181.06570	2.2
191.08583	2.3
192.04144	8.3
193.04964	77.7
205.10049	1.1
207.06525	61.0
207.15596	0.9
215.08614	6.1
215.10336	1.0
221.04451	100.0
233.09584	3.2
235.05998	67.2
261.09125	3.2
293.43463	1.0
401.13858	2.8
415.15152	3.2
555.38385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
55.01875	3.5
55.05505	8.2
57.03432	5.4
59.04982	4.0
67.05507	11.8
69.03424	21.6
69.07057	6.9
69.20892	14.6
69.21317	10.8
71.04984	6.3
73.02929	2.8
75.04463	6.7
77.03909	2.4
79.05486	26.3
81.03421	22.6
81.07054	27.8
83.04971	5.1
85.02903	33.6
85.06538	4.1
91.05475	32.2
91.54085	2.5
93.07040	94.3
95.04963	10.9
95.08633	18.1
97.02895	8.1
97.06529	11.0
97.10132	2.7
98.20843	6.2
99.04429	4.2
103.76380	2.4
104.36539	2.7
105.07024	24.9
107.04958	4.4
107.08588	18.9
109.02892	9.6
109.06495	5.6
109.10181	14.4
111.04446	5.5
111.08079	6.5
119.04937	5.9
119.08582	21.3
121.06508	8.3
121.10139	100.0
123.04372	3.2
123.08076	15.5
123.11700	42.8
125.05974	9.8
127.03924	13.2
127.53660	2.5
131.08560	12.4
133.06470	4.3
133.10112	10.1
135.08055	7.5
135.11685	3.2
137.05965	30.0
137.09648	8.7
139.03893	4.6
139.11198	11.1
141.05307	3.9
145.06487	4.4
145.10094	9.2
147.04393	8.4
147.08023	4.8
147.11700	9.7
149.09625	34.5
151.03899	40.2
151.04994	4.0
151.07545	9.8
153.01775	3.1
163.03825	4.1
163.07463	2.7
163.11168	6.7
165.09109	8.8
165.12755	3.3
167.03525	3.2
167.07025	2.8
167.10654	24.5
173.13303	3.3
175.03905	10.6
175.07568	3.6
177.05511	4.1
179.07118	2.9
179.14317	2.5
181.04973	5.9
183.10155	4.2
185.11679	3.2
187.07513	3.6
189.12688	13.3
203.07005	5.5
207.06546	28.0
207.13771	32.7
225.14778	15.1
231.13936	2.9
233.15123	3.0
289.95764	2.4
293.13824	10.7
311.15030	12.4
329.15927	5.8
351.18030	7.2
499.27158	5.2
517.27844	4.1
535.29102	9.5
553.26135	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	553.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36851	0.8
53.03931	2.6
55.01850	1.0
55.05503	2.6
59.04992	2.3
65.03914	0.7
65.93549	0.7
67.05494	3.3
69.03436	7.3
69.07052	3.4
69.59087	4.2
69.59496	1.8
71.04980	3.5
72.24218	0.8
79.05489	14.2
81.03400	2.4
81.07047	13.2
83.04958	3.0
85.02881	2.4
85.06533	0.9
91.05476	5.2
93.07038	6.9
95.04958	8.4
95.08598	6.0
97.02883	0.9
97.06523	3.5
98.21618	0.8
103.05457	5.0
105.04527	0.9
105.07026	10.1
107.04905	3.6
107.08587	8.2
109.02869	1.3
109.06498	1.8
109.10146	2.2
115.05425	0.9
117.06989	1.0
119.04936	1.4
119.08585	5.4
121.06485	8.6
121.10135	23.5
122.10411	0.9
123.04404	1.5
123.08046	2.7
123.11722	7.5
125.05957	4.7
125.09610	1.8
127.03902	1.4
129.07014	1.3
131.08562	3.0
133.06482	100.0
133.10097	4.4
134.06921	0.8
135.08046	3.3
135.11736	1.0
137.05960	2.6
137.09688	1.2
138.90979	0.7
139.11214	6.0
143.08540	1.6
145.04935	1.2
145.06445	1.5
145.10107	2.2
147.04379	1.0
147.08038	3.4
147.11658	2.3
149.09624	8.0
149.13203	1.0
151.07529	1.3
156.09291	1.0
158.10991	0.8
159.08073	2.0
161.05910	0.9
161.09648	1.6
161.13264	1.5
163.03951	0.8
163.11185	9.4
165.09151	0.8
167.07042	5.7
167.10666	15.1
171.11665	0.8
173.13220	2.1
175.03918	1.2
175.07521	1.1
177.05338	1.1
179.54611	0.8
181.04984	1.3
185.11754	5.0
189.12732	29.6
191.14294	32.0
192.14709	0.9
193.08603	0.9
207.06509	3.2
207.13792	32.8
219.13516	0.9
276.71606	0.8
311.15030	0.9
319.06079	0.7
329.16135	1.2
369.94211	0.8
384.49765	0.9
384.60742	0.8
553.26447	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	553.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
55.01875	3.5
55.05505	8.2
57.03432	5.4
59.04982	4.0
67.05507	11.8
69.03424	21.6
69.07057	6.9
69.20892	14.6
69.21317	10.8
71.04984	6.3
73.02929	2.8
75.04463	6.7
77.03909	2.4
79.05486	26.3
81.03421	22.6
81.07054	27.8
83.04971	5.1
85.02903	33.6
85.06538	4.1
91.05475	32.2
91.54085	2.5
93.07040	94.3
95.04963	10.9
95.08633	18.1
97.02895	8.1
97.06529	11.0
97.10132	2.7
98.20843	6.2
99.04429	4.2
103.76380	2.4
104.36539	2.7
105.07024	24.9
107.04958	4.4
107.08588	18.9
109.02892	9.6
109.06495	5.6
109.10181	14.4
111.04446	5.5
111.08079	6.5
119.04937	5.9
119.08582	21.3
121.06508	8.3
121.10139	100.0
123.04372	3.2
123.08076	15.5
123.11700	42.8
125.05974	9.8
127.03924	13.2
127.53660	2.5
131.08560	12.4
133.06470	4.3
133.10112	10.1
135.08055	7.5
135.11685	3.2
137.05965	30.0
137.09648	8.7
139.03893	4.6
139.11198	11.1
141.05307	3.9
145.06487	4.4
145.10094	9.2
147.04393	8.4
147.08023	4.8
147.11700	9.7
149.09625	34.5
151.03899	40.2
151.04994	4.0
151.07545	9.8
153.01775	3.1
163.03825	4.1
163.07463	2.7
163.11168	6.7
165.09109	8.8
165.12755	3.3
167.03525	3.2
167.07025	2.8
167.10654	24.5
173.13303	3.3
175.03905	10.6
175.07568	3.6
177.05511	4.1
179.07118	2.9
179.14317	2.5
181.04973	5.9
183.10155	4.2
185.11679	3.2
187.07513	3.6
189.12688	13.3
203.07005	5.5
207.06546	28.0
207.13771	32.7
225.14778	15.1
231.13936	2.9
233.15123	3.0
289.95764	2.4
293.13824	10.7
311.15030	12.4
329.15927	5.8
351.18030	7.2
499.27158	5.2
517.27844	4.1
535.29102	9.5
553.26135	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	553.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
53.15987	2.7
54.03917	2.5
55.05501	7.3
57.03421	4.0
59.04997	26.9
67.05496	18.6
69.03426	19.9
69.07054	10.9
71.04960	2.9
71.52616	2.7
79.05505	14.5
81.03415	3.5
81.07043	18.8
83.04957	4.9
85.02897	9.0
87.04473	4.5
91.05476	11.9
93.07036	12.0
95.04966	8.0
95.08604	36.5
95.24767	2.6
97.02882	6.2
97.06542	13.4
103.05457	3.1
105.07009	16.6
107.04948	13.6
107.08610	27.0
109.02885	27.0
109.06525	6.8
109.10150	35.3
111.04446	3.6
115.03926	6.3
115.05446	5.1
117.07047	3.9
119.08582	17.2
121.06517	7.4
121.10135	40.7
122.07272	6.6
123.08072	49.4
127.03867	4.5
131.04933	7.0
131.08589	4.0
133.04962	5.5
133.10130	100.0
135.04410	8.0
135.08049	11.1
135.11761	3.1
137.05977	7.9
137.09615	91.3
139.03899	3.8
139.11160	3.7
141.09105	14.6
145.06432	3.0
145.10156	4.2
147.04416	4.8
147.08040	11.8
147.11671	5.5
149.05945	3.0
149.09549	4.7
149.13239	13.4
151.11230	4.7
159.08113	2.8
161.09656	3.0
161.13318	2.6
163.07562	4.6
163.14758	3.3
165.05486	6.8
165.09103	35.4
167.07004	5.2
167.91801	3.4
173.13283	8.5
179.07074	2.7
179.35464	2.5
181.04964	19.2
183.10161	61.4
191.14293	65.7
193.04956	3.6
201.12729	3.8
207.06415	5.1
208.07187	2.7
209.15382	9.7
225.07611	11.9
320.51904	2.9
327.15121	5.4
335.09647	3.5
553.26239	43.6
554.26215	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	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.5
58.06348	0.3
58.06604	0.5
60.07847	0.3
60.08159	6.5
67.05495	0.9
71.07368	2.5
74.40051	0.2
79.05473	0.5
81.03429	0.3
81.07046	0.4
81.40879	0.2
82.85777	0.2
83.04984	0.2
83.50085	0.2
86.09700	29.5
87.10041	0.3
91.05462	0.5
93.07021	0.6
95.08607	0.5
98.20721	0.4
98.98453	2.6
104.10741	3.6
105.07002	0.3
107.08606	0.4
109.10121	0.5
112.37958	0.2
124.99995	19.7
133.10164	0.3
135.70317	0.2
143.01024	0.4
147.07999	0.3
147.11604	0.2
181.04945	0.4
184.07329	100.0
185.07643	0.9
204.50706	0.2
212.67426	0.2
236.40971	0.2
258.11169	0.2
317.08395	0.3
446.22775	0.5
464.24106	2.2
518.32233	1.3
534.31567	0.3
552.28705	0.5
553.25330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55879	0.3
69.31016	2.1
79.05474	0.5
80.05004	0.4
82.06541	0.4
91.05411	0.5
93.06999	1.4
94.06505	1.3
95.07366	1.4
96.08138	2.8
103.05411	0.5
104.78963	0.3
108.04419	0.3
108.08115	2.7
110.09678	5.1
113.76562	0.3
116.76614	0.3
120.03762	0.3
120.04459	2.7
120.08091	3.9
122.05981	0.9
122.09614	0.4
123.06764	0.3
124.07555	0.7
134.05960	0.4
136.07594	3.2
137.05952	0.8
138.05443	0.4
138.09129	7.8
146.05959	0.5
148.07512	1.2
149.38649	0.3
150.05482	0.4
150.09081	0.6
152.06987	1.1
152.10677	0.6
155.90137	0.3
156.07941	0.3
164.06995	0.6
166.08633	7.5
177.05464	0.4
182.11697	0.3
194.08109	0.9
195.09073	0.4
196.09720	0.6
197.10622	0.6
202.08640	0.5
207.09212	0.4
209.10684	0.5
210.11333	0.4
211.08585	0.4
211.12305	0.7
212.09378	0.7
213.10149	0.4
221.10710	0.5
222.11447	0.6
223.08630	1.0
223.12228	1.2
224.09428	1.2
225.10211	2.9
226.10843	0.4
227.11807	0.9
233.10672	0.7
235.08621	1.1
236.09392	0.7
237.08089	0.5
237.10214	6.0
238.10971	1.6
239.08147	1.7
239.11752	3.2
241.09615	0.8
245.12701	0.5
247.08543	0.5
248.09328	1.3
249.10211	4.6
250.11044	1.8
251.08188	3.0
251.11766	4.6
252.08965	0.5
252.12558	1.1
253.09709	4.5
254.10403	0.4
255.11250	0.7
259.14227	0.4
261.10129	2.6
262.11011	0.6
263.08435	0.6
263.11771	3.1
264.08905	0.4
264.12561	0.3
265.09698	6.5
265.13004	0.4
265.13522	0.4
266.10422	1.5
266.13638	0.4
267.11288	5.0
269.09222	0.6
270.05142	0.3
271.10715	2.0
273.12479	0.5
275.08240	0.3
277.09723	2.3
278.07645	0.4
278.10434	2.7
279.07651	3.7
279.11255	7.7
280.08795	0.4
280.11957	1.8
281.09137	2.1
281.12762	1.5
282.09979	0.9
283.10782	5.4
283.13974	0.5
285.12332	0.9
287.13794	1.8
289.09714	4.1
290.10556	0.4
291.11160	1.7
293.09183	1.2
293.12827	3.0
294.09949	4.4
294.13235	0.6
295.10809	3.1
295.14066	0.5
296.11581	2.4
297.08755	0.4
297.12305	1.2
298.09564	0.6
299.10223	1.7
299.13736	0.5
305.09021	0.4
306.09796	1.6
307.10669	1.8
308.11435	0.7
309.08752	0.5
309.12177	2.3
310.13019	0.8
311.10220	5.3
311.13858	2.0
312.11035	2.1
313.11798	1.2
314.12610	1.3
317.09122	0.8
321.08813	0.5
321.12302	0.5
323.10120	1.3
323.13910	1.2
324.11053	1.9
325.11804	1.3
326.12564	4.2
327.13391	5.9
328.13962	0.4
335.10233	6.8
337.11838	1.0
339.13370	41.5
340.10425	1.9
340.13867	0.7
352.10284	0.8
353.11212	1.0
354.12057	3.3
355.12854	12.9
356.13672	0.4
367.12860	30.5
368.13315	0.7
371.12167	0.4
374.14890	0.5
386.14725	0.9
387.15567	0.9
388.16507	0.3
399.15500	0.5
402.17981	0.3
436.18564	0.4
447.17899	0.5
451.21017	0.6
460.18558	1.4
479.20190	2.0
488.18176	12.8
492.21265	5.4
502.19589	0.6
520.20776	100.0
521.21063	3.4
552.23407	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	551.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01864	1.9
55.05513	16.2
57.03440	7.9
57.07076	38.7
65.03944	1.1
65.91936	0.7
67.05504	27.8
69.03418	1.9
69.07066	11.7
69.23427	0.8
71.03790	0.6
71.04990	4.9
71.08239	1.5
71.08630	28.9
71.44744	1.4
79.05495	15.3
81.03419	43.4
81.07052	33.3
83.04986	6.8
83.08619	21.8
83.09125	0.8
85.02903	22.4
85.06545	1.4
85.10183	14.3
91.05484	19.4
93.07044	10.0
95.04967	17.0
95.08607	25.4
97.02869	1.7
97.06533	2.0
97.10163	9.2
99.08121	1.1
99.11742	1.0
103.05464	0.8
105.07030	13.7
107.04975	3.2
107.08584	3.5
109.06525	2.9
109.10155	11.4
111.08081	7.4
111.11711	3.0
113.05994	1.4
115.05461	1.5
117.07053	1.0
119.08582	10.6
121.10132	5.4
123.08088	1.7
123.11710	5.5
125.00980	0.8
129.06979	5.7
131.08582	5.2
133.06502	1.5
133.10101	4.6
135.11678	0.7
137.09619	1.0
137.13251	2.2
137.52104	0.7
142.07721	1.0
145.10085	1.0
147.08099	2.2
147.11697	7.8
149.08585	0.7
149.09616	3.7
150.54384	0.8
151.50890	0.6
157.10135	6.2
165.12778	2.1
175.11177	8.7
193.10468	1.8
193.12242	35.3
194.12619	1.1
211.13284	46.1
212.13692	0.8
235.68269	0.8
235.88693	0.6
249.14822	1.1
249.25987	1.1
267.15912	3.8
267.26859	3.0
285.16837	0.8
292.24158	0.8
316.16095	0.8
341.30533	3.9
520.64355	0.7
533.42041	2.2
551.43060	100.0
552.43298	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	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.3
57.07072	15.2
62.64227	5.8
67.05498	27.2
69.07059	18.0
69.22984	64.6
79.05492	20.3
81.07065	41.9
91.05494	37.4
93.07034	55.9
95.08592	38.5
105.07021	61.1
107.08599	50.2
109.10149	33.0
115.50100	6.0
117.07006	15.5
119.08594	100.0
121.10159	39.5
128.06264	7.5
129.07039	12.5
131.08536	32.4
133.10133	52.8
135.11703	34.2
136.61160	5.9
141.06914	7.5
142.07814	8.1
143.08533	17.5
144.09331	9.6
145.10146	63.4
147.11707	12.1
149.13300	9.0
155.08569	6.5
157.10118	28.1
158.10910	9.2
159.11678	22.7
161.13283	7.6
167.08556	13.5
169.10115	11.3
171.11694	21.8
173.13257	19.8
175.14813	27.8
181.10081	7.2
182.10820	7.8
183.11595	12.5
185.13324	17.0
187.14774	14.9
193.10095	7.1
195.11755	9.1
197.13303	17.2
199.14825	9.8
201.16400	16.6
207.11717	7.5
209.13249	12.8
211.14838	9.1
223.14882	7.9
239.17871	6.9
495.26157	6.8
551.42786	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.9
53.03941	4.1
55.05505	12.0
55.21448	0.9
57.07088	6.5
59.04998	1.3
63.67577	0.9
65.03935	2.9
67.05502	25.1
68.74381	1.0
69.07063	17.7
69.35326	9.6
70.44338	0.9
77.03947	1.9
78.05959	1.0
79.05027	1.1
79.05489	22.6
81.07054	43.5
81.07530	2.1
83.08620	9.0
85.06551	2.9
85.37609	1.0
86.01723	1.0
91.05482	40.0
93.07041	49.6
95.04978	6.8
95.08603	43.2
97.10185	1.5
103.05470	3.6
104.06251	1.1
105.04517	2.3
105.07027	71.2
106.07288	1.2
107.08591	54.3
109.06531	3.2
109.10149	39.0
115.05449	4.2
116.06224	1.1
117.07005	16.2
119.08578	100.0
121.10141	46.3
121.11036	1.9
123.08054	3.3
123.11707	12.5
125.09678	1.3
128.06229	6.1
129.07002	11.0
130.07823	8.1
131.08562	32.8
133.10123	55.7
135.08061	1.3
135.11682	31.9
137.09578	2.4
137.13268	1.1
139.11241	1.3
141.07004	4.3
142.07771	13.8
143.08568	25.6
144.09343	6.5
145.10118	63.2
146.10550	2.9
147.11681	20.4
149.09630	3.4
149.13258	5.2
153.06958	2.7
154.07782	1.4
155.08519	9.7
156.09344	9.9
157.10123	34.1
158.10933	4.9
159.11696	31.6
160.12193	1.4
160.77776	1.0
161.13251	10.0
163.11128	1.9
163.14850	2.1
165.07039	3.3
166.07835	1.2
167.08575	6.1
168.09364	2.8
169.10136	17.4
170.10910	5.6
171.11684	19.5
172.12444	3.0
173.13263	20.2
174.13646	1.7
175.14833	29.3
176.70166	1.0
177.12784	1.0
179.08516	5.5
180.09308	4.1
181.10104	8.4
182.10916	6.0
183.11717	15.5
184.12393	2.2
185.13243	13.4
186.13824	1.3
187.14807	13.5
189.16418	2.9
192.09204	2.6
193.10139	6.3
194.10860	4.5
195.11690	12.1
196.12514	5.0
197.13261	17.8
198.14023	1.9
199.14822	7.5
201.16374	12.7
203.17822	1.1
205.10196	1.4
205.15771	1.5
206.10870	2.4
207.11644	6.7
208.12489	3.8
209.13240	14.0
210.13980	1.8
211.14827	10.3
213.16399	5.6
215.14392	1.3
215.18147	1.7
217.10201	1.2
218.10934	1.5
219.11659	2.5
219.17401	2.3
220.12476	1.8
221.13216	7.8
222.13965	1.9
223.14792	8.9
224.15492	1.1
225.16428	4.3
227.17867	2.2
231.11699	2.1
232.12482	1.6
233.13327	3.3
234.14001	2.2
235.14806	4.5
236.15453	1.5
237.16368	4.6
239.17908	3.9
241.19539	3.5
245.13283	2.5
247.14851	5.2
248.15495	1.3
249.16376	3.8
251.17876	2.2
253.19585	2.8
257.19046	1.7
258.14023	1.9
259.14786	1.8
259.20529	2.1
261.16479	2.3
263.17929	2.3
265.19595	4.5
267.21085	4.5
271.14807	1.2
273.16394	2.1
275.17944	2.6
277.19571	2.8
279.20834	2.2
283.20618	2.7
285.16321	1.1
285.22095	2.8
287.18011	1.9
289.19458	1.5
291.21106	1.8
297.22031	1.3
303.21207	2.8
305.22672	1.4
309.22110	1.6
315.20938	1.3
319.24109	1.2
337.25284	1.6
345.25763	3.1
349.25415	1.6
355.24396	1.1
359.27582	1.3
391.21951	1.1
399.30328	1.4
411.30292	1.4
429.31506	1.9
459.36029	2.4
495.36169	1.6
529.62866	1.3
533.41302	4.1
540.53149	1.1
551.34424	2.1
551.42493	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
64.61855	1.2
69.03409	1.6
69.42308	9.0
79.05496	1.3
81.03423	2.0
85.02898	2.2
93.07047	1.3
97.06540	1.1
99.04480	1.2
105.52801	1.0
153.05489	1.4
163.03923	3.8
167.07060	1.3
181.05020	1.4
188.58391	1.1
197.10825	1.4
198.07840	1.4
198.11507	1.4
199.08727	5.6
209.10812	1.1
211.08621	9.1
211.12411	1.0
212.09439	3.6
213.10185	11.3
214.07269	1.9
214.10901	1.9
225.10201	13.0
226.07397	11.7
226.11043	4.4
227.08112	9.7
227.11761	5.8
237.10194	1.2
239.08170	1.5
239.11858	4.5
240.08986	1.5
240.12567	4.8
241.09712	12.9
241.13431	2.4
242.10439	7.4
251.11783	1.6
253.09703	8.8
254.10509	3.6
255.11362	8.0
257.12857	10.4
265.09851	1.5
267.08148	1.8
267.11334	9.8
268.09192	2.0
268.12036	14.0
269.09201	1.5
269.12912	3.5
271.10709	1.6
272.67441	1.1
273.12268	1.2
280.12057	1.2
283.10745	2.2
285.08847	1.0
285.12344	3.2
286.09439	1.3
295.10812	4.6
296.11600	7.5
297.12344	3.9
299.10544	1.9
301.11728	1.2
313.11758	15.2
314.12506	11.2
327.13367	1.6
341.11365	1.8
342.12003	12.1
355.13049	2.0
373.14008	4.5
374.14343	3.0
379.13058	1.5
389.13525	3.4
401.13556	2.7
403.11188	5.8
409.14322	1.3
417.16943	1.8
419.14441	1.7
427.14969	1.8
431.14758	1.8
445.16251	13.5
463.17572	1.6
473.15558	12.8
475.16818	5.2
477.15213	1.7
491.16599	49.9
501.14767	2.5
519.16071	100.0
520.16577	1.9
533.17468	3.5
551.18683	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34817	0.5
51.41404	0.5
55.01745	0.6
60.17835	0.6
69.03312	0.7
71.04910	1.0
71.05251	0.6
71.47232	1.0
76.48169	0.5
81.41839	0.5
85.02794	1.2
94.06405	1.6
94.06973	0.6
97.02756	1.1
99.04283	3.1
109.09999	0.8
123.07998	0.7
133.14214	0.6
145.04848	0.6
146.05817	0.6
153.01627	0.6
169.12135	0.9
172.13408	0.7
183.13663	1.1
197.06889	0.8
197.10791	2.7
198.07742	1.8
198.11351	1.6
199.08643	5.5
211.08627	8.8
211.12077	0.6
212.09357	4.7
213.10188	11.9
214.07384	2.9
214.10718	2.2
224.08949	0.8
225.10197	12.5
226.07378	12.4
226.10864	5.3
227.08173	12.2
227.11678	7.2
227.16443	3.7
237.10043	0.8
239.08043	1.3
239.11787	4.4
240.08958	3.5
240.12560	5.8
241.07430	0.9
241.09682	12.3
241.13243	1.2
242.10475	7.6
243.10815	0.7
249.42130	0.6
251.08136	0.7
251.11621	1.3
252.08737	0.6
253.09711	8.3
254.10382	3.2
255.11293	8.4
257.09091	1.0
257.12845	9.8
265.09622	1.0
267.08270	0.7
267.11261	9.2
268.08362	1.9
268.11874	10.9
269.09048	1.2
269.12598	3.1
270.13391	0.8
271.10562	2.0
272.11285	1.0
280.11856	1.5
281.09030	2.0
282.09756	0.8
283.10629	1.1
285.09125	0.7
285.12360	3.6
286.09259	1.6
286.12827	1.6
287.13504	0.8
295.10754	6.6
296.11533	7.4
297.12231	3.4
298.09305	0.9
298.12744	0.9
299.10022	1.3
300.10934	1.0
301.11624	1.0
309.12088	0.9
313.08374	0.9
313.11810	14.7
314.12500	10.6
315.12848	1.8
321.12036	0.7
324.11108	0.8
325.11694	0.9
327.13348	1.7
341.11179	2.2
342.12091	13.1
343.12518	1.5
345.14417	0.7
350.08618	0.7
355.13013	1.2
373.14291	3.0
374.14307	1.6
389.13309	2.4
390.14069	0.7
391.12073	1.2
401.13361	1.7
403.11023	7.5
409.13852	1.4
410.84622	0.5
417.16946	1.2
419.14371	2.1
427.15039	1.1
431.14786	1.1
435.17529	0.9
445.11105	0.7
445.16193	10.1
455.14395	1.0
457.15878	1.5
463.16891	1.7
473.15512	10.8
475.16977	5.3
477.14935	1.0
491.16592	39.4
501.15015	3.4
519.16089	100.0
520.16083	2.0
533.17651	2.4
546.07764	0.7
551.18726	50.1
552.19446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79204	0.8
55.01862	0.8
58.43824	0.7
61.53769	0.8
71.46899	1.4
85.02908	1.0
94.06574	3.4
95.99521	0.7
98.21133	1.2
99.04466	2.6
106.86300	1.0
116.32961	0.7
138.05492	0.9
150.05463	1.2
157.06894	0.7
183.06871	1.0
183.09071	0.7
197.10716	2.3
198.07942	1.8
198.11568	1.6
199.08678	5.8
199.12370	0.8
207.06581	1.7
211.08649	7.5
212.09404	4.9
213.06676	0.8
213.10214	9.2
214.07426	2.2
214.10928	1.8
220.06212	1.2
220.89323	0.7
222.41788	0.7
225.06804	0.8
225.10191	16.6
226.07370	7.8
226.10870	5.9
227.08102	8.4
227.11719	8.9
227.16411	2.3
229.13979	0.7
233.26134	0.8
239.08153	1.7
239.11777	5.8
240.08975	3.0
240.12596	7.2
241.09726	11.6
241.13438	2.2
241.37151	0.9
242.10400	7.2
242.14117	1.1
243.11305	1.2
251.11769	2.0
252.12503	1.1
253.09705	10.6
254.10515	3.5
255.11285	15.0
257.12851	17.4
259.17752	0.9
265.09683	1.8
267.08643	1.2
267.11285	8.6
268.08896	1.3
268.12048	12.6
269.09366	1.3
269.12781	3.5
271.10886	2.3
273.12354	2.0
279.11493	1.6
280.12180	1.6
281.09464	1.2
283.10834	1.8
284.11713	1.0
285.09238	1.1
285.12210	4.4
286.13162	1.5
295.10751	8.4
296.11594	7.3
297.12271	4.9
298.09265	1.5
299.10287	2.3
300.11072	1.2
301.11929	1.2
313.11819	22.8
313.15491	1.2
314.12570	13.5
315.13443	1.4
321.12354	1.1
323.10150	1.1
325.11862	1.6
327.13562	1.3
341.11276	2.6
342.12109	10.2
343.12781	0.9
344.01553	1.1
350.08575	1.4
355.12897	2.2
373.13895	2.9
374.14398	1.1
379.12784	1.1
389.13501	2.4
403.10815	5.3
403.15753	1.7
409.14059	2.5
417.16727	2.1
419.14484	3.0
427.14853	1.7
431.14691	2.4
435.17993	1.5
445.16217	16.4
457.15976	2.2
459.13553	0.9
463.17114	2.4
473.15616	13.6
475.17157	5.6
477.14865	2.0
491.16614	65.5
492.16968	1.6
501.14963	4.3
519.16113	70.9
520.16699	1.8
533.17676	3.8
551.18701	100.0
552.19513	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	551.1029
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.93724	0.2
52.96914	0.2
53.03945	0.9
55.01854	0.8
55.05495	0.8
56.79943	0.2
57.03434	1.3
59.04990	0.2
60.00559	0.2
61.02929	0.9
62.28003	0.2
63.24046	0.2
65.03906	0.3
67.05479	0.3
68.99774	1.0
69.03426	7.4
69.38571	1.4
71.01350	0.3
71.04972	0.8
73.02921	1.1
79.05463	0.5
81.03413	6.1
81.07037	0.8
83.04984	1.9
85.02380	0.3
85.02899	6.8
85.06506	0.3
87.00826	4.7
91.03928	0.6
91.05449	0.3
93.03368	0.3
93.07021	0.8
95.04958	0.7
95.08595	0.3
97.02880	4.0
97.06518	0.3
99.04452	2.3
101.06017	1.1
105.01858	2.5
105.07014	0.7
107.04977	0.2
107.08576	0.7
109.02872	4.0
109.06480	0.2
111.00838	0.9
111.08095	0.2
117.01817	1.3
119.07036	0.3
119.08494	0.2
121.02850	0.9
121.06498	0.7
121.10130	0.3
123.04417	0.4
125.05963	0.3
127.03912	6.5
129.05502	0.5
133.06573	0.2
135.04405	0.2
137.02327	3.2
143.06973	0.3
145.04961	2.3
145.06111	0.2
147.04422	0.3
147.06573	0.4
147.11665	0.9
149.02296	0.4
149.05963	0.2
153.01808	4.2
155.04826	0.2
157.10094	0.2
159.02876	3.6
161.05988	0.5
163.03897	0.8
165.01834	1.9
165.12744	0.3
166.02615	0.2
166.23061	0.2
167.06964	0.2
169.12257	0.3
173.05948	0.6
175.07581	0.2
175.11223	0.4
183.02837	0.6
183.04398	0.3
187.04021	0.3
187.06009	0.6
187.11221	0.2
189.12697	0.3
193.12241	0.3
199.11183	0.3
201.05475	2.0
205.05002	0.3
207.13803	0.2
211.13367	0.5
213.03900	0.3
217.12238	0.7
219.02789	0.2
229.04967	4.1
231.04965	1.8
235.13283	0.8
239.03391	0.2
247.06030	0.8
253.14371	0.6
257.04422	2.8
274.04715	0.7
275.05280	0.2
283.24976	0.2
285.03891	1.4
303.04959	100.0
304.05319	1.3
305.12219	0.6
345.06091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05500	2.3
56.04785	0.7
57.03428	3.4
57.07077	1.0
62.91738	0.7
67.05485	2.8
69.03087	1.2
69.03429	13.0
69.07059	6.1
69.50212	2.3
69.50632	3.8
71.04984	10.2
79.05490	5.4
81.03407	1.3
81.07052	39.1
81.07536	1.8
85.02898	9.2
86.09699	2.1
87.04468	9.1
91.05460	5.0
93.07035	13.3
95.04955	1.1
95.08601	10.5
97.02876	13.1
97.06512	1.4
98.20798	1.5
99.08089	2.2
104.10728	2.8
105.07027	28.7
107.08589	16.5
109.06448	0.8
109.10162	18.0
111.11718	1.3
113.09641	1.2
115.03928	18.4
117.06981	1.0
119.08578	63.7
121.10149	3.2
123.04414	1.1
123.11704	6.5
127.03918	1.7
127.11186	18.5
131.08606	0.9
133.04964	18.3
133.10129	10.4
135.04434	0.8
135.11688	30.3
143.08589	0.8
145.04932	2.0
145.10100	1.3
147.11673	13.8
149.13252	4.1
161.13249	4.5
163.14790	1.9
175.14809	1.5
177.16348	0.9
181.04967	1.7
184.07370	4.0
191.03445	0.8
203.17950	46.1
204.60342	0.9
221.19000	100.0
222.19319	1.4
239.20100	7.7
259.07990	1.3
285.08630	0.9
295.10349	1.6
299.19894	1.2
317.21304	1.1
365.45468	0.8
391.16922	0.7
414.64841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
57.03426	3.1
59.13883	1.0
60.08173	1.8
66.50176	0.9
67.05502	3.7
69.03426	14.8
69.07066	6.1
70.42992	2.4
71.04995	10.3
73.10957	1.0
75.43703	1.1
79.05487	6.2
81.03401	1.8
81.07055	39.5
81.07538	2.1
85.02892	9.9
86.09711	2.7
87.04456	10.9
91.05470	4.4
93.07047	17.7
95.04949	2.2
95.08603	12.6
97.02893	11.1
97.10161	1.7
99.08083	1.5
104.10738	4.9
105.07029	31.9
107.04958	1.4
107.08585	19.6
109.10149	17.3
115.03919	17.1
117.05601	1.1
119.08576	62.3
121.10142	4.2
123.11689	6.7
127.11176	15.7
131.04930	1.5
133.04971	18.4
133.10118	13.0
135.11687	34.3
137.05928	1.5
139.76642	1.1
145.04968	1.4
145.10133	1.8
147.11691	14.6
149.13278	4.2
159.11699	1.4
161.05995	1.0
161.09633	1.5
161.13252	4.4
163.07452	1.3
163.14853	1.3
169.04997	1.1
175.14803	1.5
177.16388	1.6
181.04877	2.1
184.07379	6.2
203.16405	0.6
203.17947	49.8
221.18999	100.0
222.19479	1.5
225.07529	1.7
239.20033	8.5
259.08002	1.6
263.83182	1.0
295.10199	1.3
335.21957	1.2
380.36234	1.1
384.16306	0.9
391.87198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84262	0.2
52.60202	0.2
54.63168	0.2
55.05527	0.3
56.05043	0.4
58.06631	0.5
60.08163	6.8
60.60185	0.2
63.93453	0.2
67.05492	0.5
69.07045	0.3
70.06592	0.2
70.71183	0.4
70.71530	0.5
71.07369	3.0
79.05491	0.5
81.03412	0.2
81.07042	0.4
86.09705	31.1
87.09997	0.2
91.05494	0.3
93.07040	0.4
95.04966	0.3
95.08603	0.4
97.02882	0.2
98.98469	2.6
104.10741	3.2
105.07038	0.6
113.64395	0.2
119.08588	0.5
121.10170	0.3
125.00001	19.5
125.58884	0.2
127.03885	0.2
143.01009	0.5
147.08035	0.4
147.11626	0.2
165.32297	0.2
181.04967	0.2
184.07336	100.0
185.07704	0.8
210.19397	0.2
255.95070	0.2
309.12863	0.2
335.26865	0.2
354.23642	0.2
446.22467	0.3
464.24045	3.0
516.30542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
62.06065	4.6
67.05489	6.2
67.58717	3.5
69.03420	11.4
69.07042	4.4
71.04936	3.2
71.51170	4.5
71.51518	5.3
73.02901	6.7
79.05460	7.0
81.03382	3.6
81.07020	12.7
81.29032	4.4
85.02899	15.0
86.09715	5.3
91.05460	11.6
93.07037	9.3
95.04934	4.4
95.08598	13.3
97.02868	7.3
97.06532	5.1
97.10142	5.2
99.08052	3.5
100.08891	3.4
103.05467	17.9
104.10813	5.2
105.07040	9.7
107.04881	3.7
107.08570	11.2
109.02863	3.8
109.10152	10.5
117.03222	3.3
119.04953	39.7
119.08540	9.2
121.06496	98.5
121.10109	12.6
123.04396	4.5
123.08033	5.1
123.11678	4.2
124.99864	3.8
127.03891	6.6
131.04871	18.7
133.10123	4.0
135.08061	5.7
137.05984	54.4
137.09561	5.6
139.03931	5.5
145.04918	6.2
147.04405	62.5
147.11693	7.1
153.05478	13.1
161.06041	4.6
163.07509	22.1
163.11188	3.9
167.07034	16.4
175.41904	4.0
177.05511	6.1
178.05763	4.2
179.07037	78.5
184.07295	19.1
187.33838	4.1
189.09120	4.6
194.10216	5.4
203.17957	10.4
207.10143	15.0
223.09651	91.1
230.11147	4.2
239.20027	7.0
259.09619	20.6
335.21851	6.2
338.18314	3.7
339.15759	15.7
357.16949	100.0
394.60141	4.6
498.43607	3.9
550.26373	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	549.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
53.19510	1.6
55.01865	2.1
55.05510	37.4
55.70328	1.3
55.98507	1.3
56.43657	1.4
57.03434	7.8
57.07075	9.5
65.03926	2.2
67.05502	42.7
69.03432	3.3
69.07063	41.0
69.31764	14.7
71.04986	4.0
71.08622	2.6
79.05486	27.3
81.03413	39.5
81.07054	45.9
83.04552	1.7
83.04962	8.3
83.08616	36.8
85.02905	17.9
85.06538	3.2
85.10193	1.7
87.52494	1.5
91.05470	22.1
93.07040	24.2
95.04957	18.5
95.08600	42.4
97.02909	2.2
97.06513	3.8
97.10163	14.4
105.07013	18.8
107.04963	4.2
107.08578	14.9
109.06519	2.4
109.10149	13.5
111.08070	7.3
111.11689	3.1
115.14464	1.6
117.07062	2.0
119.08590	16.3
121.10127	15.4
123.08047	2.1
123.11721	5.5
129.06970	8.0
131.08569	10.2
133.06520	2.1
133.10178	7.4
135.11690	7.9
137.13222	3.3
142.07809	3.1
145.10115	3.0
147.11668	12.1
149.09605	2.6
149.13245	3.2
157.10112	8.4
163.11200	1.8
165.12822	2.6
175.11150	10.0
193.12230	41.5
207.13763	1.7
211.08195	1.6
211.13289	45.4
247.24236	2.5
265.25235	7.1
267.15924	6.5
281.17413	3.1
325.27313	4.3
339.28906	3.8
341.10327	2.8
409.57739	1.8
457.36746	2.8
531.40295	8.6
549.41455	100.0
550.41663	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	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01863	2.9
55.05510	36.7
57.03435	8.4
57.07073	9.1
57.71761	1.3
59.05008	1.9
65.03921	1.8
67.05502	45.8
67.88738	1.3
69.03411	2.4
69.07067	38.0
70.76799	3.1
71.04990	5.2
71.08615	3.4
79.05490	32.9
81.03417	44.2
81.07054	49.9
83.04976	10.3
83.08617	33.7
85.02901	28.7
85.06551	2.4
91.05481	22.4
93.07035	27.1
95.04969	20.7
95.08604	41.6
97.02899	3.1
97.06532	5.1
97.10159	16.7
99.08131	2.3
103.74853	1.4
105.07027	16.7
107.04957	2.6
107.08582	15.7
109.06531	4.1
109.10155	13.8
111.04458	1.7
111.08067	10.7
111.11742	4.0
113.06004	3.8
117.07034	1.8
119.08580	15.2
121.06502	1.7
121.10136	20.5
123.11702	3.7
125.09645	2.6
129.06992	8.2
131.08575	6.0
133.06499	2.3
133.10130	8.2
135.11673	11.9
142.07822	2.6
147.11655	10.6
149.09616	3.9
149.13248	4.3
151.11131	1.9
157.10135	7.2
165.12721	2.7
175.11162	9.8
193.12234	48.6
207.84358	1.4
211.13280	52.5
247.24223	2.1
265.25284	10.4
267.15964	4.8
339.29013	5.2
440.43555	1.5
457.36536	3.1
531.40472	5.0
549.41479	100.0
550.41772	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01862	2.0
55.05510	34.5
57.03446	6.6
57.07071	9.0
58.73624	0.7
59.05023	1.4
65.03945	1.8
67.05505	41.5
69.03423	2.3
69.07069	37.6
71.04994	4.3
71.08617	4.5
71.10586	1.5
73.02917	0.8
79.05490	25.0
81.03418	44.5
81.07054	43.1
81.07536	1.9
83.04975	9.2
83.08618	33.6
85.02902	21.6
85.06551	1.5
85.10184	3.6
91.05483	22.9
93.07044	22.4
95.04967	18.2
95.08604	37.8
97.02913	2.0
97.06529	2.9
97.10160	14.4
99.08098	2.3
105.07027	17.8
107.04992	4.0
107.08595	10.5
109.06532	2.3
109.10162	13.7
111.04449	2.0
111.08095	8.2
111.11736	3.5
113.06006	2.1
113.09660	1.4
115.05476	0.9
117.07027	2.2
119.08585	14.3
121.06495	1.0
121.10148	15.0
123.08080	2.5
123.11710	5.0
125.09577	1.5
125.13263	1.0
128.11304	0.8
129.07031	5.2
131.08551	6.7
133.06526	1.3
133.10136	6.8
135.11717	7.2
137.09590	1.6
137.13255	1.3
142.07814	1.5
145.10147	2.1
147.08099	1.7
147.11671	9.6
149.09648	3.8
149.13303	3.9
157.10115	8.9
163.14864	2.5
165.12741	2.3
165.16380	1.3
175.11180	9.9
189.11243	1.1
189.58755	0.8
192.28723	0.8
193.12239	39.4
196.94614	0.8
211.13298	42.9
212.13686	1.0
229.14105	0.8
247.24310	2.8
265.25351	6.3
267.15875	4.5
307.20322	0.8
339.29117	3.3
457.37006	2.4
531.41003	4.9
531.47699	0.9
549.41534	100.0
550.41913	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	549.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01859	1.6
55.05500	3.5
57.03162	1.0
57.03432	15.2
57.07054	0.8
65.03938	1.1
67.05498	9.4
69.03410	2.8
69.07058	7.6
71.01355	1.2
71.04989	11.8
71.52039	1.1
73.02912	33.3
79.05485	6.9
81.07056	14.9
83.04957	1.8
83.08604	2.7
85.02905	1.7
85.06537	22.5
88.21836	0.7
88.91627	0.8
90.94439	0.7
91.05468	10.2
93.07037	17.5
95.04971	2.4
95.08600	18.3
97.02837	2.0
97.06522	2.4
97.10191	1.7
105.03416	1.0
105.07018	14.8
107.04942	1.5
107.08587	22.0
109.06499	2.4
109.10153	10.1
111.08080	3.5
115.03917	3.2
115.05473	1.1
117.07027	3.3
119.08566	20.8
119.09370	1.4
121.06514	1.8
121.10143	13.4
123.08111	2.0
123.11683	4.9
125.05985	1.7
125.09612	1.3
129.07025	2.5
131.08551	6.4
133.10110	18.0
135.08083	4.3
135.11687	18.2
137.09642	1.6
137.13237	2.4
139.11160	0.8
141.07062	1.5
143.08580	2.6
145.10124	10.0
147.08035	1.2
147.11687	13.5
149.09567	1.5
149.13248	14.9
155.08536	2.0
157.10129	3.6
159.11676	10.4
161.13269	5.1
163.11272	1.0
163.14856	2.5
165.07100	1.1
165.12730	1.9
167.08556	2.8
169.10173	1.1
171.08011	1.4
171.11725	3.2
173.13271	6.7
175.11177	1.0
175.14821	3.8
177.12726	11.3
177.16307	1.2
179.14240	1.5
181.04967	1.1
183.11690	1.4
185.13287	2.3
187.13258	1.0
187.14792	6.0
189.12733	1.1
189.16368	28.9
191.14337	3.4
191.17973	6.0
193.10265	0.8
193.12184	1.9
193.15901	1.0
195.12068	1.3
195.13823	6.8
197.13344	1.0
199.14851	2.2
201.16418	2.8
203.14314	1.4
203.18030	2.2
205.15858	1.2
207.17403	9.2
209.13200	1.3
213.16495	2.3
215.18019	2.1
219.17485	0.9
223.14774	1.0
225.16400	0.8
227.17957	1.7
229.19444	1.1
233.13309	1.0
241.19528	1.1
245.19058	2.9
247.20523	1.1
251.14482	1.6
253.19759	1.1
259.20572	1.4
285.22333	1.6
315.08615	1.2
329.10211	2.1
363.30399	1.3
381.31540	9.6
399.32550	17.3
400.32666	0.9
417.33609	93.1
418.34171	1.7
475.28220	1.0
508.28293	0.9
531.36768	4.9
549.37933	100.0
550.38312	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	549.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12980	0.4
55.05508	3.3
57.03417	1.1
57.07047	1.1
60.59667	0.4
65.03936	0.7
67.05501	7.5
68.05819	0.6
69.03421	1.1
69.06800	0.4
69.07056	4.1
70.19931	1.4
70.20341	1.1
71.04984	1.0
71.08633	0.4
73.02909	2.3
79.05491	3.9
81.03409	2.7
81.07050	8.7
82.03742	0.7
82.07376	1.2
83.04993	0.9
83.08612	2.5
85.02901	1.3
85.06532	1.8
91.05480	6.0
93.07049	6.1
95.04958	1.6
95.08607	9.1
96.05312	0.5
96.08934	1.2
97.06512	2.3
97.10146	0.9
98.21426	0.6
105.07024	8.9
107.08592	6.0
108.08895	0.6
109.10152	7.0
111.08087	0.6
115.77140	0.5
117.06993	0.6
119.08577	6.6
121.06527	0.5
121.10127	3.8
123.11698	1.7
131.08551	1.2
133.10118	3.8
135.04417	1.5
135.08069	0.6
135.11684	1.9
140.35193	0.5
143.08543	0.8
145.10085	1.4
147.11691	9.1
149.13260	1.6
151.11201	0.8
157.10040	0.6
159.11743	1.1
161.13261	1.9
171.11685	0.6
175.11212	0.7
175.14798	0.9
177.12744	0.5
181.04930	0.6
189.16386	2.0
193.12227	1.7
194.12538	1.0
196.13902	0.5
203.17940	5.0
211.13255	1.3
212.13655	1.0
213.13925	0.8
213.62111	0.5
221.19005	0.5
243.06549	2.8
271.06003	8.8
280.83780	0.4
285.07510	2.6
286.08279	2.0
294.76627	0.6
299.05508	9.1
313.07056	7.6
314.07822	48.2
315.08176	0.5
329.10175	100.0
330.10474	1.7
381.31461	0.7
399.32587	0.9
417.33612	5.2
457.36728	0.7
531.38556	1.7
549.39032	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	549.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15030	0.9
55.01848	0.8
69.03431	1.3
69.91748	1.6
69.92164	3.3
71.05006	1.0
85.02917	1.9
91.05447	1.3
96.81482	0.8
97.02883	1.0
98.20782	1.1
118.50475	0.9
120.08098	1.1
121.06448	1.0
133.10188	1.1
137.06007	2.4
147.04407	1.2
148.07544	1.0
152.74203	0.8
154.37476	1.1
160.07564	1.8
161.13701	0.8
167.92001	0.9
169.72011	1.0
175.03960	1.3
181.05089	1.1
197.10739	2.5
199.08685	10.4
207.06543	3.2
207.13795	1.9
210.09369	1.3
211.08650	12.0
211.12277	2.0
212.09421	4.8
213.10219	12.1
213.13809	1.4
214.10986	2.6
215.15570	0.8
222.09125	1.1
224.09120	0.9
225.10208	22.7
226.07408	11.3
226.10927	9.0
227.08183	10.8
227.11743	8.0
237.64433	1.1
239.08098	2.0
239.11754	10.3
240.08937	3.9
240.12508	6.1
241.09715	16.5
241.13322	2.7
242.10487	10.8
243.11186	0.9
249.10309	1.1
250.08774	1.2
251.08171	1.3
251.11787	1.9
253.09731	12.4
254.10510	3.4
255.11298	15.9
257.12851	33.6
265.09723	1.3
267.11292	15.1
268.08759	1.4
268.12030	15.5
269.09299	1.9
269.12891	5.2
271.10822	1.4
273.12103	1.3
280.12137	4.4
281.09253	3.4
283.10831	1.8
284.11646	3.5
285.12360	6.2
286.09683	1.1
286.12991	3.0
295.10739	10.5
296.11563	15.4
297.12411	5.2
298.13199	1.5
299.10269	2.4
300.10953	1.5
313.11832	52.2
314.03763	1.1
314.12601	22.8
315.13248	2.2
323.10513	1.7
324.11105	1.4
341.11426	5.1
342.12094	36.4
343.12582	1.1
348.07181	1.3
355.12924	2.2
373.14008	12.3
374.14630	7.2
383.12775	1.3
401.09637	2.1
429.12909	2.3
433.16113	2.0
443.14749	9.6
455.14478	2.9
457.12659	4.6
461.15393	1.5
471.13867	6.7
473.15567	7.8
475.13324	1.4
475.92612	1.0
489.15082	50.7
490.15512	1.4
499.13275	3.6
517.14563	65.9
518.15039	1.4
531.16223	1.4
549.17151	100.0
550.18005	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00430	0.6
55.01852	1.5
57.03416	1.0
59.05000	0.7
63.81353	0.7
69.03403	2.0
70.95725	1.4
71.04980	1.0
79.05460	1.1
81.03370	2.1
81.07024	1.0
85.02898	7.9
87.04474	0.8
91.05448	0.7
93.07013	1.0
95.04938	1.8
95.08560	0.9
97.02852	2.2
99.04404	0.9
107.08514	1.0
109.02831	0.9
121.06477	0.9
123.08033	3.2
127.03898	3.5
133.06454	0.8
133.10020	0.8
137.05928	3.4
138.41298	0.7
145.04921	3.2
151.07544	6.3
163.11124	1.3
164.49193	0.7
167.07050	0.8
175.03857	0.9
175.07545	0.7
177.05382	1.2
181.05176	1.0
189.12749	1.6
197.10736	2.5
198.07826	1.8
198.11450	1.5
199.08655	10.0
199.12280	1.1
201.10205	1.0
207.06432	1.8
207.13817	4.2
209.15355	1.8
211.06679	1.2
211.08661	10.2
211.12151	0.9
212.09364	4.8
213.10208	12.6
214.07414	1.4
214.10995	4.0
225.10214	16.6
226.07362	12.3
226.10834	4.5
227.08147	18.0
227.11638	6.2
237.10284	1.2
239.08292	0.8
239.11763	5.4
240.08859	4.0
240.12535	4.6
241.09702	16.1
241.13361	1.5
242.10489	14.5
242.14160	1.1
251.07974	1.2
251.11829	2.1
252.08942	1.0
252.12584	0.7
253.09767	8.4
254.10457	2.1
255.11255	11.6
257.12842	16.3
257.15393	1.4
258.13458	0.7
267.07944	1.1
267.11264	13.2
268.08475	2.5
268.12039	12.0
269.09302	2.9
269.12628	3.6
270.13663	1.1
271.10809	1.5
273.12320	0.9
280.12167	1.7
281.09146	2.5
283.10663	1.1
284.11377	1.1
285.12274	3.6
286.09442	1.8
286.12881	1.4
295.10690	6.2
296.11554	11.6
297.12167	2.4
298.13068	1.4
299.10187	1.6
313.11819	33.0
314.12564	14.3
315.13147	0.8
323.10138	1.5
324.10992	1.7
341.11234	4.5
342.12094	51.5
343.12445	1.6
355.12726	1.9
369.13409	2.4
373.13913	6.5
374.14603	3.4
387.20142	1.0
401.09729	2.4
401.14368	0.9
411.12064	1.3
429.12961	2.0
433.16278	1.5
443.14661	4.1
455.14694	1.6
457.12469	3.6
471.14029	5.2
473.15582	3.6
489.15033	32.4
490.15292	1.0
499.13229	2.5
517.14539	100.0
518.14911	3.0
531.16095	1.8
549.17169	61.2
549.24609	2.5
550.17657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79137	5.7
73.42767	1.0
85.02880	0.9
91.04253	1.0
94.06601	1.2
94.25768	1.0
96.65428	0.9
120.08102	1.0
137.06007	1.3
138.05473	1.1
139.17390	0.9
146.06027	1.1
181.04945	1.0
197.10756	2.4
198.07849	1.2
198.11600	1.3
199.08661	6.4
207.06509	1.5
207.13832	1.4
211.08643	12.8
211.12268	1.4
212.09457	3.1
213.10190	10.5
214.07410	1.4
214.10954	2.4
225.10184	20.7
226.07378	9.8
226.10938	7.9
227.08163	12.9
227.11655	7.1
229.09723	1.1
229.59923	1.1
237.10420	1.1
239.08189	1.9
239.11795	9.9
240.08936	2.2
240.12570	5.6
241.09737	15.0
241.13347	2.6
242.10481	12.0
242.14191	1.5
251.11742	2.1
253.09731	13.8
254.10550	2.8
255.11255	14.2
257.12851	37.2
267.11295	15.4
268.12045	15.5
269.09357	2.1
269.12827	3.5
271.10736	2.3
279.11362	1.5
280.12085	3.1
281.09222	2.7
282.10043	1.0
283.10669	1.5
284.11526	3.3
285.12344	8.5
286.09738	1.0
286.13135	2.5
295.10760	10.4
296.11575	14.0
297.12411	4.3
298.13089	2.2
299.10275	2.6
300.10986	1.8
313.11804	55.6
314.12549	23.6
315.13229	1.9
341.11264	5.3
342.12094	40.6
343.12595	1.1
355.12973	2.0
373.13885	10.6
374.14749	6.1
383.12393	1.1
401.09290	1.7
411.12051	1.1
415.15161	1.2
417.13028	2.2
429.13013	3.4
433.16248	1.3
443.14526	7.5
457.12311	2.9
471.13931	7.8
473.15720	5.3
475.13605	1.7
489.15015	51.4
490.15384	3.0
499.13458	2.6
517.14539	57.9
531.15955	2.7
549.17126	100.0
550.17371	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	548.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.3
55.01875	12.2
55.05493	30.0
57.03438	22.7
59.04988	9.7
67.05514	48.6
69.03427	45.6
69.07067	27.5
71.51579	12.5
73.02905	23.8
78.02438	7.8
79.05489	51.8
81.03419	84.2
81.07065	77.9
81.64248	9.4
83.04961	14.8
83.08636	15.6
85.02902	82.8
86.09689	21.4
90.05524	8.2
91.05482	58.5
93.07037	59.2
95.04977	50.5
95.08607	70.3
95.33967	8.5
97.02890	36.7
97.06517	14.5
99.04487	12.5
105.07042	100.0
107.08564	57.4
109.02868	9.8
109.06554	23.2
109.10172	35.2
115.03941	19.1
117.07045	24.7
119.08585	64.4
121.06487	28.4
121.10143	40.5
123.08102	16.2
123.11737	9.3
124.62995	8.6
125.00051	10.8
125.09653	11.0
127.03929	27.1
131.04941	11.0
131.08560	29.5
133.04935	31.2
133.10156	35.3
135.08054	28.9
135.11671	22.3
137.06055	14.9
137.09593	9.7
145.04936	24.4
145.10121	48.2
145.11696	8.7
147.11684	26.2
149.09627	12.9
153.01837	55.4
157.10117	16.6
159.11705	26.6
161.09621	9.1
161.13272	17.1
163.03928	9.2
163.05992	13.0
163.11172	12.0
165.12814	8.8
173.13298	14.7
175.03806	12.2
175.14856	15.5
177.05501	24.6
184.07251	47.5
189.16481	12.1
191.18045	11.7
193.12321	32.8
201.16283	44.8
211.13301	20.2
217.15855	10.3
219.17456	60.8
237.18590	27.9
267.15878	75.2
276.06497	14.3
459.27374	28.3
477.28571	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.7
57.03434	24.1
59.04990	4.8
60.04515	5.3
64.86222	2.7
67.05508	14.3
69.03428	100.0
69.07054	11.5
69.72948	7.7
69.73362	9.5
75.04435	3.7
79.05458	5.8
81.03436	3.9
81.07052	51.8
81.52457	2.5
82.53892	2.8
83.08604	6.4
85.02902	57.9
87.04468	59.5
91.05482	5.7
93.07073	14.0
95.04957	5.7
95.08602	34.6
97.02882	78.1
97.06519	4.1
97.10175	2.8
99.80604	3.4
105.07014	9.1
107.08604	18.2
109.06507	3.3
109.10141	23.4
115.03925	87.3
119.08559	8.8
121.10130	19.6
123.08031	6.4
123.11664	4.3
127.03896	6.9
131.08533	3.1
133.04962	93.6
133.10135	4.1
135.11722	18.3
137.09714	2.9
137.13272	11.4
145.04958	4.6
145.10129	7.4
147.07999	3.1
147.11627	4.4
149.13174	3.0
150.07635	3.8
155.10657	5.9
159.11719	4.3
161.13304	3.2
163.11148	4.8
173.13260	4.2
177.16374	4.1
180.18225	3.2
191.17931	33.0
197.13150	3.4
201.16379	5.4
219.17378	15.0
236.51257	3.8
237.18524	4.1
261.18555	3.1
315.19537	4.8
333.20425	4.2
351.21719	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	548.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.9
55.05500	8.4
57.03436	40.2
57.07068	6.0
59.04996	5.6
61.02927	12.4
67.05244	2.2
67.05502	22.7
69.03102	3.0
69.03432	47.7
69.07070	13.5
70.64796	8.5
71.01347	10.9
73.02520	3.5
73.02914	56.6
79.05479	10.5
81.03399	8.8
81.06612	4.6
81.07057	75.5
81.84885	2.3
83.04955	4.4
83.08589	8.1
85.02905	96.6
87.04446	7.9
91.03952	3.5
91.05461	4.4
93.07043	17.5
95.04971	5.8
95.08610	68.0
97.02897	84.8
97.03525	5.5
97.10152	7.7
99.04424	6.0
103.03937	4.4
105.07020	9.0
107.08579	24.4
109.02842	7.8
109.10152	53.5
111.08095	4.7
115.03934	41.6
119.08555	9.4
121.09336	3.0
121.10144	31.8
123.08079	2.7
123.11677	11.7
127.03898	29.6
133.04958	54.7
133.10115	6.2
135.11691	36.4
137.09598	9.3
137.13245	31.0
138.85191	2.6
141.09076	4.6
141.74501	2.9
144.06543	5.9
145.04965	34.4
145.10144	7.9
149.09654	2.9
149.13252	4.5
150.07607	5.0
155.10635	14.5
159.11699	6.9
163.06044	11.9
163.11172	8.2
163.14761	2.8
167.10710	4.0
177.16388	9.3
181.12241	10.3
191.17943	100.0
192.18263	3.5
201.16408	12.8
206.54565	2.9
219.17458	42.4
223.05988	7.9
237.18500	15.6
241.07094	9.6
259.08051	6.8
291.42542	2.7
302.14828	3.0
351.21640	4.4
548.29303	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	548.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76495	0.7
63.61159	0.7
69.20311	7.9
70.08045	0.6
71.01302	0.8
104.96989	0.8
167.28362	0.7
219.45993	0.7
321.67459	0.8
357.35001	0.8
378.63205	0.8
387.16089	0.9
388.16568	2.0
389.17166	2.1
390.18179	1.5
402.18225	2.4
403.19040	4.7
404.19604	5.4
416.19684	2.8
417.20688	2.0
418.21237	6.5
419.21854	2.2
430.17130	0.8
431.17554	4.6
432.18396	7.2
433.24332	4.2
434.24313	12.9
445.19675	1.9
446.20062	11.8
447.21271	3.5
459.21289	0.9
460.21692	6.0
461.22833	13.9
462.23621	12.3
474.23743	3.1
475.24246	1.3
488.25259	1.0
489.26236	0.9
505.25223	1.3
520.27954	3.5
533.25244	1.2
548.27332	100.0
549.27240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.0
63.31295	1.7
65.73645	1.9
67.05526	2.1
69.03418	1.9
69.33767	8.6
69.34184	9.7
70.05235	2.0
70.06591	6.1
70.44309	2.2
81.07059	4.5
87.04527	2.1
91.05490	2.6
93.07076	4.3
95.04974	2.4
95.08609	2.4
97.06521	2.1
99.08102	4.2
103.05478	3.7
105.07037	2.5
106.68467	1.9
107.04980	4.4
109.10184	3.2
110.04426	1.7
113.84705	2.3
116.11778	2.2
121.06551	2.4
121.10112	3.5
121.34352	2.0
123.11703	2.5
123.81322	2.2
127.03918	1.9
127.95579	2.0
131.04941	4.1
137.05960	6.0
145.10094	2.4
147.04437	6.9
163.07573	5.3
167.84741	2.2
179.07066	6.5
184.47087	2.0
204.11456	2.7
207.10147	16.4
223.09642	3.0
229.04959	3.0
235.07571	2.3
245.08041	11.1
251.78380	2.1
285.00415	2.1
290.15384	2.2
295.05798	2.3
325.14493	6.5
328.25580	2.4
343.15381	100.0
367.99139	2.2
401.38776	2.0
548.19092	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	548.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89586	0.3
54.03466	0.8
55.01878	0.6
55.04248	0.4
57.03415	0.4
61.02920	0.5
68.99806	0.6
69.03428	1.5
69.07060	0.4
70.06592	100.0
71.06916	0.3
71.50587	0.2
73.02931	0.3
74.68676	0.2
79.05492	0.6
81.03424	0.7
81.07037	0.3
85.02900	2.2
87.04454	0.3
91.05488	0.9
95.04960	0.5
97.02897	0.8
97.06581	0.4
103.05470	0.4
107.04968	0.9
109.02895	0.4
116.38023	0.3
119.04951	1.8
121.06525	0.9
123.04426	11.9
127.03938	0.4
131.04971	0.3
135.04416	1.3
145.05017	0.3
147.04408	6.4
147.05547	0.4
149.05975	2.9
159.04408	0.5
161.05981	0.7
163.04063	0.3
165.05470	4.0
167.97112	0.3
175.03883	0.4
177.05469	37.9
178.05884	0.4
182.76672	0.3
189.05498	1.2
191.07051	0.4
201.05560	0.4
207.06558	1.0
234.11208	1.5
270.89374	0.3
311.09149	1.1
329.10202	8.0
386.15948	1.0
442.42966	0.3
491.15540	5.0
548.21240	33.7
549.21674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
54.03468	0.9
55.01870	0.6
55.04263	0.4
56.46514	0.4
58.06585	1.3
58.45137	0.3
68.99785	1.2
69.03431	1.4
70.06587	100.0
70.95199	1.1
72.62904	0.3
79.05511	0.8
81.03414	1.5
81.07063	0.6
84.04504	0.4
85.02909	3.5
91.05471	1.3
93.07053	1.1
95.04963	0.7
97.02890	1.6
103.05456	1.1
107.04932	1.1
109.02872	0.8
119.04945	2.0
121.06514	3.2
123.04429	11.0
127.03927	0.9
131.04935	1.3
135.04408	2.0
144.08109	2.6
145.08411	1.5
147.04396	7.7
148.04700	0.4
149.05971	6.2
159.04384	0.8
161.06004	1.1
163.03943	0.5
165.05453	5.7
167.68689	0.4
173.05988	0.9
175.07536	2.8
177.05455	72.1
178.05833	0.8
179.06995	0.5
188.07074	0.9
189.05399	0.6
190.05325	0.4
207.06392	2.2
216.10193	0.5
219.06427	0.6
221.12801	0.4
234.11237	14.1
236.33975	0.4
241.01054	0.5
248.50591	0.4
311.09222	0.6
329.10156	8.0
386.15753	1.1
491.15634	1.4
544.43860	0.5
548.21222	64.7
549.21454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01869	6.5
55.05508	33.8
57.03434	9.3
57.07069	7.0
61.07134	2.2
65.03933	6.7
67.05140	5.1
67.05502	100.0
69.03426	3.1
69.07069	26.8
69.87587	15.0
71.04982	14.4
71.08635	6.1
79.05486	52.9
80.85856	2.0
81.03410	36.8
81.07052	94.2
83.04980	9.0
83.08620	32.1
84.01546	2.3
85.02912	17.6
85.06560	4.3
87.51177	2.8
91.05482	48.5
93.07040	53.8
93.07628	3.1
95.04961	30.1
95.08607	64.1
97.06531	6.5
97.10145	14.2
99.08102	4.6
105.07030	39.3
107.04958	7.8
107.08592	31.1
109.06551	6.9
109.10147	32.5
111.04449	3.6
111.08079	8.5
117.07027	9.4
119.08579	32.3
121.06530	4.0
121.10135	20.0
123.08062	4.1
123.11736	11.0
125.09641	6.8
129.06978	4.9
131.08580	13.8
133.10141	17.4
135.11668	17.7
137.09637	4.9
137.13249	4.6
139.11160	3.0
142.07771	3.2
143.08571	4.7
145.10124	13.2
147.08055	4.4
147.11696	14.7
149.09639	4.9
149.13264	6.2
150.94275	2.2
151.11220	5.5
157.10135	7.1
159.11670	5.2
161.09706	2.9
161.13289	8.0
163.11215	11.1
165.12759	3.2
169.10173	2.7
171.11679	3.2
175.11249	6.5
175.14876	3.9
189.11171	3.2
193.12225	33.1
211.13293	34.7
227.12747	16.6
263.23773	8.5
267.16000	12.3
272.64920	2.7
285.21832	2.7
303.26904	3.2
337.27524	10.4
397.31418	2.7
437.34177	2.8
443.31570	2.8
455.35297	9.6
473.36502	5.5
529.38940	25.4
545.25299	2.9
547.40076	96.2
548.40735	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	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01862	5.4
55.05505	28.9
56.05870	1.6
57.03434	12.8
57.07077	7.4
60.87351	1.3
65.03934	4.6
67.05503	93.2
69.03429	4.2
69.07070	24.0
69.29687	14.5
71.04984	4.9
71.08620	4.7
79.05493	49.0
81.03415	48.7
81.07052	93.5
83.04971	12.1
83.08613	29.9
83.53714	1.2
84.72382	1.4
85.02901	25.7
85.06518	3.1
85.10188	2.3
90.87693	1.3
91.05478	42.6
91.36202	1.5
92.05778	1.8
93.07039	44.9
95.04961	31.1
95.08605	63.8
96.08927	1.7
97.06512	5.5
97.10168	11.0
99.08123	1.6
105.07030	33.6
107.04938	7.2
107.08597	20.4
109.06527	5.8
109.10152	26.4
111.08085	11.0
113.06001	2.5
115.05464	1.8
117.07014	5.3
119.08582	29.1
121.06518	3.2
121.10139	18.1
123.04431	3.5
123.08053	3.8
123.11697	12.9
125.09637	4.4
129.06978	11.1
131.08560	12.8
133.06520	2.5
133.10127	17.4
135.08064	2.6
135.11681	10.5
137.09595	2.3
137.13245	5.2
139.11188	1.4
142.07756	2.6
143.08566	2.7
145.10136	7.2
147.08044	4.1
147.11681	14.2
149.09621	5.2
149.13284	4.1
151.11192	2.6
151.14862	3.0
151.91071	1.6
157.10123	12.7
157.50858	1.5
159.11786	1.4
161.13264	4.8
162.11845	1.6
163.11189	3.4
163.14787	3.0
165.12785	2.3
173.09767	1.4
173.13234	2.4
175.11215	9.9
175.14816	3.0
185.13234	1.7
189.11258	1.8
189.16443	2.2
193.10451	3.2
193.12239	43.3
211.13277	39.4
217.12257	2.1
235.13249	5.3
235.15329	1.5
245.22614	3.0
263.23798	5.3
267.15891	8.4
337.27365	8.1
350.69220	1.5
357.09784	2.0
455.35162	4.4
473.36432	3.1
529.38800	16.3
547.27869	8.2
547.39941	100.0
548.79285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01854	3.8
55.05238	1.5
55.05507	23.7
57.03440	8.4
57.07074	8.2
59.04996	1.3
65.03936	2.9
67.05500	77.4
67.45276	1.0
69.03415	3.0
69.07063	21.7
71.05000	5.3
71.08636	6.6
71.53167	1.3
79.05022	1.5
79.05486	37.3
81.03410	35.4
81.07051	72.9
83.04980	8.9
83.08615	22.6
85.02898	18.8
85.06548	2.1
85.10173	2.6
91.05473	38.5
93.07034	35.2
95.04958	20.2
95.07985	2.4
95.08598	47.6
97.06505	5.4
97.10147	9.6
99.08073	2.5
103.05489	1.5
105.04543	1.7
105.07021	24.6
106.34298	1.0
107.04957	5.9
107.08587	20.9
109.06514	3.6
109.10149	18.8
111.04436	1.4
111.08086	8.2
112.43822	1.0
113.06017	1.7
113.09676	1.0
115.05412	1.5
117.06984	5.8
119.08572	21.4
121.06519	1.6
121.10122	13.7
123.04442	3.6
123.08068	2.5
123.11698	9.7
125.09641	3.6
127.23067	1.1
128.06227	1.2
129.07011	8.4
131.08556	12.4
133.06490	1.1
133.10106	14.6
135.08028	1.1
135.11690	8.0
137.09653	1.7
137.13266	2.6
139.11086	1.4
139.74861	0.9
142.07784	1.8
143.08569	2.4
145.10127	6.5
147.08031	2.1
147.11674	13.1
149.09662	4.2
149.13289	3.8
155.08540	1.1
157.10132	8.5
159.11703	2.5
161.13289	4.1
163.11296	2.1
163.14847	2.0
165.12798	2.7
169.10075	1.9
171.11722	2.1
173.13353	1.2
175.11172	9.6
175.14825	3.5
185.13335	1.2
187.14885	2.0
189.11223	1.7
189.16394	2.8
190.95288	1.2
191.10600	1.4
193.10493	1.9
193.12224	33.8
195.11861	1.2
197.98012	1.2
199.14937	2.8
211.13290	37.7
217.15906	5.0
227.12781	1.6
235.13272	5.4
245.22690	1.9
263.23660	5.3
267.15948	6.9
267.87961	1.3
285.17023	1.4
291.19617	2.9
303.26877	1.7
313.27423	5.1
337.27454	4.5
437.34286	2.7
455.35446	4.3
473.36423	3.0
529.38818	17.5
547.39972	100.0
548.39978	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	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85559	1.3
53.03945	4.9
55.01870	4.0
55.05268	2.3
55.05511	24.1
57.03439	7.9
57.07071	18.9
65.03943	2.1
67.05505	67.8
69.03416	3.0
69.07068	21.5
70.16499	1.3
71.04998	3.9
71.08637	12.1
71.51517	1.8
79.05029	1.4
79.05493	30.8
81.03424	31.0
81.07056	65.2
83.04991	8.5
83.08614	19.8
85.02914	13.4
85.06541	5.0
85.10181	5.3
91.05483	32.9
93.07043	30.6
95.04971	30.1
95.08610	43.6
97.06513	4.1
97.10177	9.3
99.08117	2.1
103.05457	1.8
105.07034	26.7
107.04964	6.7
107.08588	17.4
109.02884	2.0
109.06532	3.3
109.10165	18.0
111.08092	6.5
117.07025	7.5
119.08584	18.5
121.06481	3.1
121.10152	13.2
123.04438	13.1
123.08086	2.4
123.11707	9.8
125.09623	2.5
128.06207	2.1
129.07030	8.0
129.51909	1.3
131.04950	1.7
131.08553	10.3
133.06538	1.7
133.10106	11.3
135.08051	2.1
135.11723	6.2
137.13290	3.3
142.07825	2.7
143.08617	4.9
145.10133	10.4
147.08073	3.1
147.11667	10.1
149.09642	3.6
149.13342	1.8
153.09128	1.9
157.10173	8.4
159.11723	4.0
161.09663	1.6
161.13280	3.8
163.11212	9.6
163.14835	2.5
165.09341	1.6
165.12775	1.8
169.10161	1.7
171.11691	4.4
173.09612	2.3
173.13335	1.5
175.11246	5.7
175.14824	3.1
189.12770	2.2
191.10716	2.0
193.12234	24.3
201.16353	1.7
207.13930	3.4
211.13280	27.3
217.12411	2.9
235.13301	17.1
239.23734	1.9
263.23764	3.9
267.15952	6.3
278.87057	1.5
337.27454	3.5
437.34216	2.7
455.35168	5.1
473.36411	2.4
515.37195	8.1
529.38721	12.9
547.40015	100.0
548.40607	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01866	5.2
55.05510	29.0
57.03432	11.2
57.07065	5.0
58.18279	1.4
65.03942	4.5
67.05502	78.7
69.03416	3.0
69.07064	23.1
71.04995	6.9
71.08624	4.2
79.05490	37.7
81.02934	2.5
81.03414	42.9
81.07052	81.2
83.04990	11.1
83.08612	22.5
83.90337	1.4
85.02908	19.4
85.06535	2.9
85.10159	1.6
91.05476	40.0
93.07039	38.0
95.04961	23.1
95.08601	49.0
97.02887	1.6
97.06541	7.7
97.10170	9.9
99.08110	1.9
103.05511	1.7
105.07030	28.4
107.04978	6.2
107.08589	22.0
109.06532	5.8
109.10155	24.3
110.24370	1.3
110.26984	1.2
111.04450	1.4
111.08077	8.9
113.05978	2.7
115.05473	1.4
117.07040	5.5
119.08575	22.7
121.06520	3.0
121.10132	17.4
123.04429	2.8
123.08073	1.9
123.11693	11.0
125.09639	4.2
129.07007	9.5
131.08571	14.0
133.06529	2.8
133.10120	23.5
135.11671	9.7
137.09613	1.6
137.13258	3.9
143.08548	2.2
145.10136	6.6
147.08054	2.6
147.11688	14.5
149.09660	2.9
149.13322	4.3
151.11136	3.1
157.10130	8.4
159.11678	4.1
161.13272	6.4
163.11247	3.3
163.14799	1.7
165.12769	3.2
169.12308	1.3
171.11752	2.8
173.13258	1.9
175.11171	8.9
175.14888	3.8
185.13254	2.0
189.11240	2.2
189.16412	1.5
193.12233	37.3
193.13907	2.5
197.13257	1.4
197.15334	1.3
206.17282	1.5
211.13266	41.4
227.12883	1.5
235.13356	2.6
241.19472	2.6
245.22603	2.1
253.14481	5.5
255.15883	1.5
259.20575	3.1
263.23727	5.6
267.15964	7.3
271.15488	5.3
275.20316	1.8
303.26669	1.6
333.24313	1.6
337.27258	6.8
338.74478	1.4
437.34216	4.6
455.35138	5.7
473.36240	5.5
475.45230	1.7
502.10239	1.5
529.39032	16.4
547.39929	100.0
548.40173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3625
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
53.03924	3.4
55.01865	7.7
55.05508	19.3
57.03431	11.0
57.07080	2.3
57.15337	1.7
57.60603	1.8
65.03928	4.2
67.05500	74.7
68.87177	1.8
69.03417	2.6
69.07061	20.6
69.39379	11.3
69.39800	5.5
71.04991	9.2
71.08640	2.1
79.05489	47.4
81.03403	5.6
81.07053	64.2
82.07376	2.0
83.04985	10.7
83.08605	8.4
85.06522	8.0
87.75339	1.9
91.05476	76.5
93.07039	51.9
94.07389	2.5
95.04961	10.5
95.08600	20.4
96.44614	2.1
97.06532	5.5
97.10155	3.8
99.04420	3.5
99.08071	4.9
103.05473	2.1
105.07026	79.2
107.04940	3.7
107.08591	58.8
109.06515	7.8
109.10152	74.5
111.08050	3.6
113.06013	4.0
117.07013	15.1
119.07731	2.3
119.08569	42.3
121.06576	3.8
121.10158	15.6
123.08044	2.7
123.11689	9.0
124.87020	1.8
125.09623	4.8
127.07545	5.3
128.06245	2.9
129.06984	6.8
131.08568	22.3
133.10126	100.0
134.10472	2.1
135.07994	4.1
135.11708	15.6
137.09619	2.1
137.68701	1.8
143.08560	10.8
145.10127	20.4
147.11670	30.3
149.09604	2.4
149.13245	8.4
151.11168	48.5
157.10101	4.6
159.11652	13.5
161.09639	4.0
161.13274	24.9
163.11113	3.3
163.14896	3.3
167.24803	2.2
169.12215	14.0
171.11690	8.8
173.13281	7.5
175.14825	13.3
183.11682	3.2
185.13295	9.2
187.11229	1.9
187.14769	4.0
189.12822	2.1
189.16289	2.9
199.14795	5.3
201.16518	2.3
213.16481	2.2
215.12761	3.7
217.19435	2.4
231.21053	4.6
241.19489	28.6
253.14320	70.0
257.18890	2.3
259.20581	52.1
271.15381	56.3
275.20068	6.1
277.21506	7.1
313.21268	3.3
315.23022	5.2
333.24207	33.8
351.25220	5.5
437.30386	3.1
455.31787	3.5
462.29562	2.1
503.32358	2.2
511.33984	7.8
529.35236	23.5
547.36957	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	547.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	5.9
55.05507	13.4
57.03437	11.2
57.07078	3.6
60.41085	1.3
65.03929	4.4
67.05135	3.5
67.05501	68.5
69.03429	2.4
69.07063	21.9
70.69064	1.7
70.69399	3.8
71.04994	8.9
79.05491	41.8
81.03418	2.4
81.07053	64.8
83.04992	7.8
83.08607	5.5
85.02828	1.6
85.06534	6.5
91.04906	3.4
91.05477	68.6
93.06491	2.6
93.07043	46.4
94.07368	1.9
95.04948	7.9
95.08604	22.9
97.06519	6.6
97.10145	3.3
99.04448	2.6
99.08116	2.4
103.05424	1.5
105.07027	80.1
107.08590	50.3
109.06546	6.9
109.10152	67.5
111.08050	2.2
113.06042	2.3
115.05443	2.4
115.07520	2.5
117.07003	11.3
119.08576	37.5
121.06495	1.6
121.10132	15.6
123.08017	2.9
123.11732	9.3
125.09631	2.7
127.07548	3.8
128.06213	2.6
129.05562	2.0
129.07007	6.5
131.08543	17.4
132.08893	1.5
133.10126	100.0
135.11684	13.2
137.13219	1.7
143.08534	8.1
145.10115	15.6
146.81271	1.8
147.11682	29.7
149.09642	2.5
149.13240	7.9
151.11166	44.8
153.51277	1.4
155.08495	1.4
157.10097	7.1
159.11694	14.3
160.01012	1.4
161.09682	3.4
161.13240	22.2
163.14809	3.0
163.64124	1.4
169.12241	10.3
171.11722	8.8
173.13293	8.7
175.14803	12.7
179.10674	2.4
179.14331	1.8
185.13216	8.3
187.14819	3.7
199.14851	3.9
203.14285	2.0
213.16306	2.1
215.12799	4.2
215.17912	2.5
217.19513	2.1
231.21111	3.7
241.19495	25.7
253.14337	72.4
259.20575	55.0
271.12415	2.2
271.15393	47.1
275.19894	2.2
277.21552	6.2
315.23196	4.4
333.24197	33.4
349.23486	2.1
351.25034	2.7
367.57010	1.5
437.30545	2.6
455.31442	2.2
511.34195	5.7
529.35132	14.3
547.37817	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	547.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05498	1.3
63.02345	0.6
67.05495	1.7
69.03429	2.3
69.07050	1.3
69.10043	0.4
69.42001	3.5
71.04980	0.6
79.05476	1.7
79.65806	0.4
81.03413	2.5
81.07063	2.4
83.04969	0.7
85.02900	1.8
89.03913	5.4
91.05480	2.8
93.07035	2.5
95.04974	1.0
95.08591	1.5
97.02885	0.8
97.06511	0.7
99.04420	0.8
99.59206	0.4
103.05431	0.5
105.07026	3.1
107.04958	0.6
107.08577	4.4
109.02866	1.5
109.06479	0.8
109.10147	2.2
111.64851	0.4
115.05466	0.8
117.03380	16.2
117.07005	0.7
119.04893	0.5
119.08557	2.4
121.06436	1.0
121.10167	3.7
122.07269	1.3
123.08067	0.6
123.11631	0.7
125.09610	0.6
126.22025	0.4
127.03895	0.8
129.07007	0.5
131.08557	1.2
132.34244	0.5
133.10127	16.6
134.03596	1.1
135.04401	1.4
135.08051	2.1
135.11629	0.7
137.05972	0.6
137.09612	8.8
145.02840	45.2
145.10080	0.9
147.04344	1.0
147.08070	0.5
147.11674	1.1
149.05983	5.2
149.09583	0.5
149.13251	1.8
149.88971	0.4
157.10103	0.7
161.05971	0.6
161.09581	0.7
161.13309	0.6
163.03940	0.7
167.07085	0.6
171.11679	0.6
173.13193	0.8
175.14819	0.8
177.05466	100.0
178.05830	0.9
186.05521	1.2
191.14305	6.6
195.06548	1.5
207.06532	0.8
277.29260	0.4
301.14206	0.7
321.09702	3.6
339.10797	5.1
547.20276	0.5
547.29517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1445
Annotation	Quercetin 7-(6''-tiglylglucoside)
Peak:m/z	Relative Intensity
53.03947	0.6
54.51042	0.4
55.05510	11.6
57.03415	0.5
61.02928	0.5
65.03958	0.5
67.05499	1.1
67.53792	0.3
68.99830	0.4
69.03425	1.0
69.07036	0.3
70.73379	1.0
71.05002	0.4
79.05493	0.8
81.03414	1.3
81.07043	1.4
83.04976	100.0
84.05310	0.4
85.02898	2.4
85.06536	0.4
91.05464	1.2
93.07048	1.3
95.04942	0.7
95.08595	1.4
97.02884	1.0
97.06519	0.5
101.06019	1.3
105.07028	1.0
105.29314	0.3
107.08589	0.9
109.02881	1.0
109.06489	0.4
109.10117	0.8
111.00835	0.8
113.57846	0.3
117.03418	0.4
119.04948	0.5
119.08559	0.8
121.02880	0.9
121.06529	0.6
121.10121	1.1
123.08054	0.6
127.03906	1.1
131.08583	0.7
133.02872	0.5
133.10127	1.1
135.04445	0.8
135.08029	0.4
137.02338	2.8
137.05965	0.6
139.04002	0.3
145.02817	0.9
145.04964	0.8
145.06473	0.6
145.10123	0.4
147.04430	1.2
147.11668	0.5
149.02339	0.6
149.09616	0.6
151.03864	0.6
153.01787	3.4
159.11694	0.4
161.02344	0.8
161.05933	0.5
163.03905	0.8
165.01875	1.7
165.09117	0.4
167.07135	0.4
175.03816	0.4
177.05437	2.7
179.03398	3.3
181.04895	0.6
183.02885	0.7
183.04413	0.4
185.06087	0.3
185.08070	0.6
189.12822	0.4
193.04945	1.3
201.05470	1.4
205.04922	0.4
207.06546	1.2
209.08055	0.4
227.09229	1.0
229.04948	3.6
234.51489	0.4
235.13234	0.8
245.10191	5.2
247.06029	0.4
257.04352	2.1
274.04733	0.5
285.03992	0.9
303.04971	75.3
304.05316	0.7
345.06015	1.4
369.05814	0.4
385.12701	0.8
411.07129	0.6
460.17331	0.3
547.22009	2.4
547.28638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03086	1.9
53.03942	8.2
55.01865	16.0
55.05510	35.1
57.03436	32.3
57.07067	2.8
59.04997	3.2
67.05502	55.3
69.03434	14.4
69.07070	16.1
69.26381	2.3
69.52352	17.1
71.01330	3.3
71.04980	8.4
73.02895	4.6
79.05492	56.4
80.05793	2.4
81.02931	4.0
81.03416	76.9
81.07056	50.6
82.04189	4.7
83.04977	29.4
83.08612	30.8
84.05748	2.4
85.02899	31.7
85.06534	5.3
87.04442	3.8
91.05475	50.4
93.07043	31.4
93.07583	3.8
95.04968	41.3
95.08614	20.5
97.02896	9.7
97.06517	10.7
97.10168	17.8
98.07299	5.6
98.20808	4.0
99.08064	4.6
105.07021	30.7
107.04948	12.6
107.08581	16.8
109.06522	9.5
109.10165	11.7
111.04466	5.2
111.08070	15.0
113.05183	2.5
113.05987	3.4
115.03899	6.9
116.04715	13.8
117.07012	5.5
119.08567	29.0
121.06487	6.2
121.10143	14.9
123.08065	8.5
125.09634	20.9
127.11224	2.5
129.05476	36.8
129.06964	19.5
129.46028	2.4
131.08588	20.4
133.04927	3.0
133.06480	5.4
133.10138	22.6
135.04434	2.2
135.08051	5.2
135.11671	5.4
137.09579	3.0
139.07491	2.7
142.07797	5.4
143.07016	7.1
145.10115	10.1
147.08002	7.1
147.11691	22.5
149.09593	9.1
157.08597	12.0
157.10109	21.7
163.11150	8.5
165.12741	7.0
171.10175	5.1
175.11159	20.8
189.11211	10.1
189.16428	3.5
193.12241	79.4
199.13283	6.9
209.11736	5.0
210.12363	3.1
211.13278	100.0
211.15282	4.8
227.12790	12.9
267.15897	27.0
283.15335	4.6
285.16977	70.9
301.16449	78.3
493.28149	13.6
494.28400	3.4
511.28992	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.29864	2.0
55.01871	19.5
55.05496	6.7
55.32010	2.1
57.03438	40.3
57.07074	1.9
59.04986	4.0
60.35670	2.0
61.02928	17.0
67.05498	13.4
69.03430	58.9
69.07059	11.2
69.99467	8.8
69.99832	3.4
71.01350	10.7
71.04973	4.1
73.02915	57.4
73.15486	2.0
79.05489	11.4
81.03419	14.2
81.07047	20.7
83.04976	4.1
83.08619	4.6
85.02902	100.0
87.04467	8.8
87.30157	2.0
91.03979	2.8
91.05481	17.9
93.07043	21.6
95.04969	5.2
95.08602	20.6
97.02887	84.3
97.06490	4.0
97.10147	5.0
99.00584	2.1
99.04439	4.2
103.03928	3.0
105.07031	25.4
107.04957	2.9
107.08584	18.4
109.02852	8.9
109.10143	14.8
111.04436	10.4
111.08102	2.8
111.11737	2.7
115.03921	43.8
119.08581	17.7
121.06516	2.4
121.10126	8.0
123.04402	5.1
123.11702	6.4
125.05966	7.8
127.03922	27.8
129.07001	3.3
131.08562	6.4
132.06569	2.6
133.04974	47.5
133.06491	3.3
133.10124	45.7
135.08047	3.1
135.11678	4.1
135.15637	2.3
137.05954	5.0
139.07544	9.0
143.08537	4.6
144.06544	3.9
145.04970	38.5
145.09998	2.6
147.08022	3.4
147.11694	18.5
149.09572	6.5
149.13217	5.6
150.07611	4.0
151.07523	16.3
151.11192	3.2
157.10117	9.3
161.09619	11.9
161.13272	4.1
162.07562	2.9
163.06032	8.1
165.09106	5.9
173.13145	3.2
175.11200	3.6
175.14859	2.2
179.10661	37.2
181.04994	2.8
189.12662	3.0
189.16371	56.2
193.12257	4.0
199.14812	6.3
217.15862	42.7
223.05972	5.2
235.16913	98.8
241.07062	5.2
259.08075	4.9
283.15613	3.1
349.20081	7.3
379.06192	2.7
546.29181	2.7
570.84882	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85188	1.5
51.30745	1.4
52.83245	1.6
53.03945	5.4
53.62844	1.7
55.01866	6.3
55.05507	31.6
57.03433	10.2
57.07067	5.9
59.05004	2.2
65.03934	4.2
67.05135	3.3
67.05502	68.2
68.05832	2.1
69.03427	4.5
69.07063	25.6
70.65156	5.2
71.04984	5.7
71.08607	2.0
79.05489	48.7
81.03409	15.8
81.07051	67.9
83.04981	7.5
83.08617	21.9
85.02894	4.1
85.06528	5.4
91.05472	50.6
93.07037	55.7
95.04965	16.4
95.08601	44.6
97.06536	7.5
97.10169	15.8
105.07024	42.9
107.04974	8.2
107.08590	36.0
109.06526	7.0
109.10152	24.1
111.08075	4.9
113.09694	1.8
113.95222	1.8
115.05446	2.3
116.06199	1.8
117.07004	26.8
118.30516	1.6
119.08575	32.2
121.06506	7.1
121.10134	21.8
123.08073	3.3
123.11716	6.0
125.09652	11.2
126.32409	1.6
128.06224	2.5
129.05534	2.1
129.07005	16.2
131.08563	40.6
133.06503	3.2
133.10130	27.8
135.08072	6.4
135.11693	14.0
137.09633	3.2
137.13268	2.0
139.11166	2.9
141.06979	3.0
142.07790	2.9
143.08548	21.0
145.10112	32.3
147.08093	3.1
147.11678	17.9
149.09618	5.6
149.13258	10.8
151.11145	4.1
153.09221	1.9
154.07680	1.8
155.08510	8.7
157.10132	15.8
159.08095	2.6
159.11688	21.6
161.09622	3.9
161.13252	13.6
163.11182	4.6
163.14833	5.7
165.12798	2.2
169.10126	10.4
171.11685	15.1
173.09660	2.3
173.11890	3.3
173.13225	15.9
175.11205	4.0
175.14796	8.0
177.12823	3.6
177.16393	2.9
181.10165	3.9
183.11690	11.1
185.13283	11.2
187.11337	1.9
187.13260	2.6
187.14691	8.4
189.11253	6.7
189.16383	3.3
193.10280	2.3
193.12231	7.5
195.11737	6.3
195.13907	2.2
197.13284	5.4
199.14874	6.8
201.16371	4.6
203.14397	1.9
207.11885	1.8
209.13335	3.8
211.14935	3.8
213.16368	3.2
215.14407	2.0
223.14865	1.9
225.16476	3.4
227.12785	6.3
235.14838	2.1
241.19565	6.6
243.21190	5.8
244.23087	1.7
249.16306	2.0
259.20724	5.9
261.22107	11.7
261.57388	1.7
267.15863	18.3
267.21149	2.9
269.17395	4.1
272.28735	1.6
273.22260	2.5
275.19958	3.2
277.21909	2.5
279.23267	2.7
283.20798	2.0
285.22134	4.6
299.23798	5.7
301.25122	12.1
303.23383	2.3
310.27979	2.0
315.23117	4.4
317.25018	2.9
323.23697	2.0
327.23227	2.8
333.24329	5.0
335.25873	7.6
407.33023	3.5
417.31528	3.8
425.34082	3.7
435.32431	17.7
453.33609	19.8
471.34698	15.2
489.35861	2.6
499.38123	3.3
509.36453	8.5
515.37311	2.9
517.38751	8.8
527.37360	77.2
528.37799	4.6
545.38373	100.0
546.38867	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01865	7.9
55.05510	35.4
56.16711	2.4
57.03422	9.5
57.07065	9.0
65.03933	4.5
67.05502	77.0
69.03429	4.2
69.07067	24.7
71.04992	4.6
71.08632	3.3
79.05492	54.6
80.39790	1.8
81.03422	25.6
81.07056	77.6
81.07541	4.1
83.04993	10.7
83.08613	19.6
85.06582	4.8
91.05472	45.5
93.07042	51.4
95.04968	22.3
95.08602	48.2
95.09183	3.4
97.06538	6.5
97.10173	19.9
103.05473	2.4
105.07033	43.7
105.07708	3.5
107.04972	9.6
107.08582	28.8
109.06511	5.8
109.10143	27.0
111.08085	5.8
113.09671	2.0
115.05489	3.0
117.07006	19.1
119.08562	28.3
119.09216	2.7
121.06493	6.0
121.10133	15.8
123.08075	3.2
123.11719	10.8
125.09599	10.9
129.06989	12.8
130.07733	2.1
131.08562	34.9
131.09419	3.6
133.06511	4.3
133.10133	20.3
133.43152	2.3
135.08092	7.3
135.11688	11.5
137.09641	3.8
141.07008	5.3
142.07800	3.2
143.08531	13.7
145.06586	4.9
145.10115	23.3
147.08073	4.5
147.11661	17.9
149.09633	5.4
149.13268	11.6
151.11195	2.5
153.06979	2.2
153.12585	2.0
155.08522	9.9
157.10173	12.2
159.08095	6.4
159.11664	11.8
161.13290	8.2
163.11185	4.3
163.14867	6.3
165.12784	2.3
167.08565	3.5
169.10179	6.7
171.11731	7.5
173.09706	2.6
173.11974	2.6
173.13173	11.0
175.11255	4.4
175.14891	7.4
177.12782	2.6
179.14360	2.6
181.10176	2.5
183.11754	7.6
185.13322	9.0
187.11180	2.8
187.14830	5.8
189.11256	7.5
189.12764	2.2
189.16428	2.3
191.14374	2.2
193.12263	9.7
195.11772	4.4
197.13341	4.2
199.14891	7.2
201.12801	2.4
201.16542	2.6
209.13252	2.4
211.14987	2.7
213.16466	2.7
221.13359	2.1
225.16507	3.8
227.12807	8.9
229.14305	2.3
239.18190	2.9
243.21097	9.0
251.24670	2.4
259.20624	4.5
261.19254	2.8
261.22122	22.1
267.15860	34.1
273.18744	2.4
273.22131	2.4
275.20102	3.5
277.21707	2.8
279.23175	3.5
285.22241	4.4
289.21588	2.8
299.23972	5.7
301.25183	13.6
303.23288	2.7
317.24820	5.3
335.25775	21.7
341.24860	3.9
343.26587	2.7
357.24200	2.4
407.33337	3.0
417.31488	5.2
425.34055	2.8
435.32526	21.6
453.33633	20.1
471.34851	13.7
509.36322	4.4
517.39337	3.5
527.37317	78.7
528.37573	4.1
545.38379	100.0
546.38434	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15317	2.4
53.03947	9.0
55.01866	6.2
55.05513	34.1
57.03443	13.3
57.07076	4.1
65.03944	3.9
67.05504	74.8
69.03427	5.9
69.07066	26.0
69.44967	15.8
71.04993	6.0
71.08633	3.9
71.51001	2.2
79.05490	75.8
81.03419	32.4
81.07056	89.7
81.13378	2.2
83.04987	10.2
83.08612	21.1
85.02912	16.0
85.06563	3.9
91.05473	63.8
91.77335	2.6
93.07044	73.5
95.04977	23.2
95.08607	48.9
97.06541	7.4
97.10147	12.5
98.20683	4.7
98.21332	7.5
99.08138	5.8
105.04545	2.7
105.07029	50.1
105.07700	4.0
107.04961	8.4
107.08596	35.7
109.06522	6.4
109.10143	22.3
111.08091	8.2
113.05986	3.8
117.07030	21.2
119.08584	33.1
121.06497	2.7
121.10137	32.2
123.11744	6.9
124.77219	2.3
125.09624	7.7
129.07028	12.8
131.08553	32.8
133.10138	28.9
135.08060	4.6
135.11679	16.4
137.09590	3.0
142.07855	3.4
143.08546	13.4
145.10138	16.2
147.08122	4.4
147.11685	23.9
149.09630	5.4
149.13246	8.8
151.11205	5.4
155.08565	7.1
157.10130	15.7
159.11671	12.9
161.13303	10.5
163.11195	4.3
165.12848	2.6
169.10175	4.6
171.11737	9.1
173.13231	11.9
175.11230	8.7
175.14790	4.3
177.12836	4.9
179.14386	7.8
183.11760	5.6
185.13190	3.9
187.14803	2.7
189.11293	3.2
193.12257	29.2
195.11740	2.9
197.13364	4.2
199.14882	4.8
211.13248	33.0
227.12714	3.0
237.16617	3.3
243.20981	2.3
257.33850	2.6
259.20676	10.7
261.22287	8.2
267.15955	5.6
269.17560	4.5
275.20224	2.7
277.21701	10.1
288.02060	2.5
301.25470	4.6
333.24182	3.4
406.93713	3.1
435.32666	8.7
453.33719	11.1
471.34723	8.2
491.85385	2.4
501.35724	3.1
509.36197	3.2
517.39178	4.9
527.37292	37.4
545.38385	100.0
546.39124	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.01863	4.1
55.05508	23.1
57.03438	9.2
57.07069	3.3
59.05013	1.5
65.03941	4.4
67.05502	58.3
69.03427	3.5
69.07068	16.1
69.53130	2.9
69.53558	3.8
71.04984	4.9
79.05489	48.7
81.02930	1.5
81.03414	33.2
81.07052	52.9
83.04987	7.4
83.08614	19.5
83.27564	0.7
85.02904	15.3
85.06535	2.4
87.35577	0.7
90.50032	0.8
91.05477	39.4
92.05828	0.8
93.07039	46.7
95.04966	21.3
95.05566	1.3
95.08605	32.8
97.02897	1.1
97.06502	4.8
97.10176	8.1
98.21503	1.3
99.04513	1.0
99.08097	1.1
105.04465	1.5
105.07024	31.0
107.04964	3.8
107.08594	26.1
109.06509	4.6
109.10149	15.2
111.04417	1.4
111.08065	7.7
113.05987	1.6
115.05456	1.7
117.07015	9.7
119.07720	1.2
119.08583	24.5
121.06531	2.6
121.10143	21.4
121.11033	1.0
123.08081	2.9
123.11695	5.7
125.09637	6.1
128.06184	1.9
128.98395	0.9
129.07005	10.1
131.08563	20.2
133.06505	1.3
133.10118	17.4
133.30960	0.9
135.08069	2.2
135.11679	10.4
137.09612	2.2
137.13275	1.3
141.07024	1.6
142.07825	1.8
143.08568	4.3
143.09607	0.8
145.10120	9.9
147.08040	1.4
147.10542	1.4
147.11693	16.1
149.09575	4.3
149.13266	6.0
151.11122	1.0
155.08559	2.3
157.10138	9.9
159.11676	8.5
161.13254	4.8
163.11189	1.6
163.14856	2.3
165.12773	2.0
169.10129	2.1
171.11699	3.2
172.91324	0.9
173.13211	6.3
175.11186	8.7
175.14842	2.5
181.10127	1.5
183.11726	2.7
185.13258	3.1
187.14888	3.0
189.11221	2.8
193.12230	32.6
195.11818	1.0
195.13705	0.9
197.13264	1.7
199.14865	2.2
201.16425	1.2
211.13280	38.3
213.16507	1.1
227.12764	4.8
243.16020	1.0
243.21228	1.4
259.20667	1.2
261.22043	5.8
267.15857	6.1
269.17542	1.2
275.20139	1.3
285.22293	2.3
299.23819	1.2
301.25174	6.1
317.24591	1.0
335.25974	4.8
417.31476	1.1
421.25876	1.3
435.32706	5.0
453.33545	6.1
471.34805	4.5
509.36145	2.0
517.39355	0.9
527.37366	25.6
545.38373	100.0
546.38666	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01872	6.0
55.05507	42.2
57.03430	10.6
57.07064	8.8
61.49393	2.2
62.98544	2.9
65.03950	2.9
67.05499	67.6
69.07059	25.5
71.04983	5.4
71.08641	2.9
79.05489	47.6
81.03410	19.8
81.06595	4.3
81.07056	69.2
83.04974	9.7
83.08621	25.7
85.02872	3.1
85.06510	3.0
87.04448	2.6
91.05476	50.0
93.07043	53.4
95.04963	19.2
95.08601	42.2
97.06533	6.3
97.10157	18.6
99.08093	3.7
105.07026	42.1
105.71718	2.4
107.04939	5.8
107.08588	34.7
109.06541	5.0
109.10149	26.2
111.08094	5.9
117.07006	21.4
119.08567	37.9
121.06506	5.7
121.10132	21.8
123.08051	3.6
123.11708	5.9
125.09637	17.1
128.06192	4.9
129.06960	13.0
131.08571	33.1
133.06473	5.2
133.10141	21.8
135.08061	5.3
135.11667	10.5
137.13254	2.5
141.06985	6.7
142.07776	2.6
143.08546	16.8
145.06537	3.0
145.10121	30.2
147.10692	2.6
147.11649	15.0
149.09650	4.8
149.13263	7.5
151.11145	3.5
155.08578	5.4
157.10162	16.3
159.08055	4.4
159.11671	18.9
161.09595	2.6
161.13264	7.6
163.11189	4.5
163.14857	4.4
169.10164	5.3
171.11713	8.4
173.13275	12.3
175.11156	3.6
175.14796	8.6
177.12793	3.7
181.10104	2.4
183.11676	7.6
185.13275	6.6
187.14796	7.3
189.11226	8.6
189.16420	3.4
193.12257	10.5
195.11711	5.4
197.13318	7.4
199.14946	6.0
201.12729	2.8
201.16426	5.0
209.13196	4.6
211.13210	3.6
211.14981	3.6
213.16362	2.9
215.18027	5.0
227.12817	8.7
229.62506	2.5
237.16495	3.9
241.19424	3.0
243.21164	9.9
247.16978	2.4
259.20709	3.6
261.18765	2.7
261.22073	18.3
267.15881	22.8
275.20084	5.4
279.23480	2.9
285.22174	4.8
289.21545	2.8
299.23709	4.7
301.25137	11.7
317.24887	4.3
321.93250	2.4
323.23141	2.7
335.25769	20.7
341.24890	3.0
417.31470	5.7
435.32584	16.8
453.33594	21.7
471.34781	15.6
509.36267	7.9
527.29254	3.3
527.37311	74.8
545.38306	100.0
546.38489	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01866	5.9
55.05509	29.3
57.03425	9.1
57.07078	2.2
62.49060	1.8
65.03930	3.3
67.05500	65.9
68.05842	2.5
69.03428	4.0
69.07068	19.4
69.24586	15.2
69.24990	2.6
71.04985	5.9
71.08611	2.0
79.05486	65.2
81.03413	35.2
81.07050	65.8
82.07384	1.7
83.04972	10.9
83.08612	25.0
85.02888	19.6
85.06568	3.1
91.05477	48.4
91.06034	3.5
93.07037	55.8
94.07377	2.3
94.72878	1.9
95.04960	22.8
95.08593	39.4
97.06525	6.5
97.10160	8.3
99.08090	3.6
105.07027	35.4
107.04938	6.4
107.08578	28.4
108.08897	1.8
109.06512	6.6
109.10143	12.4
111.04436	2.9
111.08069	13.5
113.09660	1.8
117.06965	8.7
119.08566	27.5
121.06445	3.8
121.10136	27.3
123.08070	4.2
123.11713	7.2
125.09645	6.2
129.07024	11.2
131.08557	20.5
133.06496	2.9
133.10127	19.1
135.11684	13.9
137.09737	1.8
142.07809	3.9
143.08490	4.1
145.10112	12.1
147.08104	2.1
147.11691	18.8
149.09634	4.1
149.13269	7.1
157.10130	11.8
159.11725	6.2
161.13251	4.9
163.14859	2.8
165.12695	3.4
169.10146	2.1
171.11655	3.5
173.13237	5.2
175.11145	8.7
179.14339	4.9
183.11562	2.2
187.14796	2.6
189.11174	4.4
193.12233	42.0
199.14819	2.9
211.13269	43.4
227.12740	3.9
261.22183	6.6
267.15927	7.1
275.19946	2.1
276.20486	2.4
277.21381	2.8
285.22000	2.6
301.25250	7.7
302.35526	2.1
303.65784	2.4
329.33820	1.7
335.25864	4.5
435.32748	4.4
453.33588	4.8
471.34357	2.0
509.36133	2.0
527.37207	24.7
545.38312	100.0
546.38947	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.2
53.03933	2.4
55.01865	5.5
55.05511	35.1
57.03442	9.6
57.07066	5.2
65.03929	2.4
67.05502	59.1
67.29703	1.7
69.03423	3.2
69.07063	17.6
70.17225	7.4
71.04984	3.9
71.08623	3.3
74.24786	1.5
79.05490	39.7
81.03426	19.0
81.07052	57.7
83.04955	5.1
83.08620	19.6
85.02873	1.6
85.06526	4.3
91.05479	42.1
93.07043	42.5
95.04971	22.4
95.08603	36.3
97.06516	6.8
97.10169	16.8
98.10472	1.6
105.07027	40.8
107.04939	8.8
107.08597	28.9
109.06516	6.1
109.10157	21.9
111.08096	5.2
117.07014	18.9
119.08577	28.2
121.06520	7.9
121.10133	17.9
123.08100	4.1
123.11699	6.8
125.09624	11.1
128.06213	4.0
129.06999	15.2
131.08553	30.3
133.06490	3.5
133.10123	21.4
135.08078	6.6
135.11699	14.1
137.09653	2.9
137.13222	2.1
137.57584	1.9
141.06978	4.5
142.07785	2.4
143.08583	16.1
145.06488	5.4
145.10129	24.6
147.08090	4.7
147.11647	13.6
149.09621	6.8
149.13263	5.8
151.11145	2.7
153.12730	2.7
155.08548	6.1
156.09325	1.9
157.10115	14.0
159.08092	4.0
159.11714	13.6
161.09621	2.4
161.13277	7.7
163.14851	5.6
165.12833	3.6
169.10156	7.9
171.11649	8.8
173.09653	2.5
173.11966	2.3
173.13202	10.0
175.11162	4.7
175.14859	3.3
181.10147	5.0
183.11740	6.4
185.13258	8.2
187.14861	6.9
189.11244	9.4
189.12726	2.7
189.16405	5.2
193.10530	3.0
193.12164	10.0
197.13249	4.2
199.14893	4.9
201.16422	4.2
207.11691	2.0
209.13242	3.3
211.14865	4.9
213.16537	2.6
215.17932	2.1
221.13298	2.1
225.16386	2.2
227.12665	12.1
233.22603	1.9
239.14297	2.1
242.77930	1.8
243.21109	6.6
249.14842	2.4
259.20816	2.1
261.18637	3.7
261.22147	14.3
265.19608	2.2
267.15884	27.2
273.56491	1.9
275.20151	4.0
279.23221	4.4
285.22101	4.8
299.23697	3.2
301.25177	16.9
303.23306	3.4
309.21942	2.1
313.08600	2.1
315.23325	2.1
317.24823	4.2
323.23849	2.5
335.25790	16.3
340.07364	4.7
355.26505	3.8
359.25842	3.1
383.12759	15.5
384.13339	2.4
403.24506	2.9
417.31436	3.4
421.25842	2.7
435.27448	2.7
435.32651	18.2
453.33609	21.8
471.34827	10.3
509.36179	2.9
517.39014	2.4
527.37335	68.1
528.37610	3.8
545.38385	100.0
546.38678	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01859	4.3
55.05510	29.3
57.03431	8.0
57.07065	3.5
59.85518	1.3
65.03926	3.0
67.05132	3.2
67.05500	64.4
69.03426	2.6
69.07065	19.0
69.42169	12.3
71.04976	4.9
71.08611	2.0
79.05487	42.6
81.03416	19.2
81.07050	65.5
83.04961	6.8
83.08607	18.3
85.02894	5.1
85.06525	4.5
85.22616	1.3
91.05476	37.9
93.07038	45.3
95.04963	16.7
95.08601	38.9
97.06522	6.6
97.10177	11.5
103.05464	1.8
105.07026	36.6
107.04944	4.8
107.08586	27.0
107.09312	2.0
109.06522	4.3
109.10155	18.5
111.08061	4.6
115.05412	2.1
117.06999	15.4
119.08571	31.2
119.29450	1.6
121.06480	1.9
121.10130	22.0
121.10940	2.2
123.08059	3.0
123.11704	5.2
125.09631	10.1
128.06230	3.2
129.07005	13.0
131.08549	26.3
133.06477	4.8
133.10114	19.4
135.08054	3.4
135.11668	13.9
137.09637	2.6
139.11115	1.8
142.07825	1.7
143.08553	11.3
145.06465	1.8
145.10106	18.9
147.07977	2.0
147.11688	13.6
149.09615	4.4
149.13234	9.5
151.11212	1.9
155.08527	4.9
157.10100	14.5
159.11668	16.6
161.13232	9.8
163.14854	2.2
169.10143	6.0
171.11671	10.7
173.09659	1.6
173.13277	8.8
175.11185	5.8
175.14850	4.7
177.12793	2.5
179.08617	1.7
179.14246	2.1
181.10130	2.4
183.11743	6.8
185.13292	8.8
185.14661	1.5
187.14830	4.2
189.11249	5.1
189.12738	3.1
191.14284	1.8
193.12234	14.8
195.13867	2.1
197.13289	3.7
199.14815	5.2
201.16472	1.6
209.13292	2.6
211.13150	10.8
211.14880	3.3
213.16493	1.6
221.13341	1.7
227.12779	6.9
233.15540	2.1
241.19565	2.7
243.21202	2.2
247.16910	1.7
249.14679	2.7
259.20554	7.3
261.22165	5.4
267.15799	10.5
269.17340	7.1
273.18484	1.5
275.19980	2.5
277.21716	2.8
283.24213	2.0
285.22141	3.7
297.22137	2.0
299.23541	3.4
301.22333	1.6
301.25226	9.9
303.23041	2.2
315.23172	2.0
317.24799	1.8
333.24301	4.1
335.25830	10.6
358.49597	1.7
417.31354	2.7
421.25537	2.6
425.34061	2.2
435.32367	9.1
453.33698	13.6
463.35413	1.8
471.34601	11.2
491.34903	2.0
499.37955	3.0
501.35263	1.6
509.36304	2.9
517.38623	9.5
527.29138	2.5
527.37244	59.6
545.38324	100.0
546.38660	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05511	1.8
65.03945	2.2
66.91098	1.2
67.05513	3.6
69.03437	3.7
69.07071	4.0
71.05008	2.1
71.52783	1.8
76.84480	1.3
79.05479	2.8
81.03408	3.6
81.07041	5.8
83.04974	1.9
84.04486	2.0
85.02911	3.8
85.06538	1.4
91.05479	28.8
93.07047	4.9
95.04957	3.2
95.08605	5.1
97.06501	2.1
99.04457	1.8
103.05490	1.4
105.07041	5.1
107.04987	2.3
107.08610	5.6
109.02935	1.9
109.06467	2.1
109.10162	3.4
111.04459	1.3
115.05473	1.5
119.04938	35.7
119.08576	4.3
121.02917	2.0
121.06525	2.3
121.10162	4.7
123.08036	1.5
125.06003	1.6
125.09573	1.8
131.08505	1.7
132.02083	2.0
133.10153	2.9
135.04460	1.3
135.08023	1.5
135.11644	1.4
137.06024	1.5
137.09583	2.1
145.02884	2.0
145.10129	3.0
147.04405	32.7
147.08064	1.9
147.11708	2.4
148.04779	1.9
149.02328	2.1
149.04588	1.1
149.09595	1.2
153.07053	1.2
155.08511	1.6
157.04018	3.4
159.08018	1.6
159.11772	2.2
165.09158	1.5
167.07100	1.3
169.72523	1.2
173.06044	2.4
175.03909	47.1
176.04579	4.7
177.05408	5.6
179.07071	3.2
187.03941	1.3
189.05417	2.1
189.09120	1.3
189.12782	1.3
197.05998	2.5
201.05470	4.0
207.06523	100.0
208.06886	4.8
213.05435	3.3
243.06488	2.0
247.16821	2.0
267.06470	2.3
527.15051	1.4
527.28729	1.4
545.31897	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	544.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.8
58.06596	3.4
59.04981	8.3
67.05501	9.7
69.03414	8.2
69.07047	10.5
70.06610	5.4
71.04977	12.3
71.51308	4.1
79.05488	15.9
81.03409	10.8
81.07061	40.9
83.04964	4.2
85.02882	11.1
87.26962	3.7
91.05463	13.9
93.07021	18.6
95.04963	16.9
95.08604	19.3
97.02932	5.4
97.06525	13.0
104.11449	3.6
105.07021	8.9
107.04942	14.2
107.08627	6.6
109.02846	6.6
109.06541	4.3
109.10138	7.0
116.98706	4.8
117.07011	6.9
119.08581	6.3
121.06474	7.9
121.10141	100.0
123.04418	9.6
123.08059	4.5
123.11724	33.3
125.06004	14.6
127.03942	7.0
131.08549	4.4
135.04414	10.5
137.05959	19.9
138.06317	5.7
139.11197	19.8
145.06445	10.7
147.04396	8.7
147.08038	5.9
149.05911	9.1
149.09642	20.6
151.03839	5.9
151.07620	4.7
153.01852	11.0
153.05434	4.2
161.05977	27.4
163.03877	7.3
163.07469	5.8
165.09076	5.7
167.07050	22.7
167.10684	67.4
175.03944	4.3
175.07497	4.2
177.05408	8.9
183.10161	5.7
185.11713	49.7
189.09116	4.4
191.07047	6.5
203.06999	24.1
207.06546	10.8
208.09744	11.0
221.08081	11.2
233.08012	7.0
283.09598	3.9
297.86011	3.9
342.13275	5.1
352.05759	5.8
357.13239	6.9
374.97968	15.3
388.95660	8.6
392.98914	11.0
440.98785	6.5
544.24231	20.5
545.19910	77.6
558.41754	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	544.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.8
58.06596	3.4
59.04981	8.3
67.05501	9.7
69.03414	8.2
69.07047	10.5
70.06610	5.4
71.04977	12.3
71.51308	4.1
79.05488	15.9
81.03409	10.8
81.07061	40.9
83.04964	4.2
85.02882	11.1
87.26962	3.7
91.05463	13.9
93.07021	18.6
95.04963	16.9
95.08604	19.3
97.02932	5.4
97.06525	13.0
104.11449	3.6
105.07021	8.9
107.04942	14.2
107.08627	6.6
109.02846	6.6
109.06541	4.3
109.10138	7.0
116.98706	4.8
117.07011	6.9
119.08581	6.3
121.06474	7.9
121.10141	100.0
123.04418	9.6
123.08059	4.5
123.11724	33.3
125.06004	14.6
127.03942	7.0
131.08549	4.4
135.04414	10.5
137.05959	19.9
138.06317	5.7
139.11197	19.8
145.06445	10.7
147.04396	8.7
147.08038	5.9
149.05911	9.1
149.09642	20.6
151.03839	5.9
151.07620	4.7
153.01852	11.0
153.05434	4.2
161.05977	27.4
163.03877	7.3
163.07469	5.8
165.09076	5.7
167.07050	22.7
167.10684	67.4
175.03944	4.3
175.07497	4.2
177.05408	8.9
183.10161	5.7
185.11713	49.7
189.09116	4.4
191.07047	6.5
203.06999	24.1
207.06546	10.8
208.09744	11.0
221.08081	11.2
233.08012	7.0
283.09598	3.9
297.86011	3.9
342.13275	5.1
352.05759	5.8
357.13239	6.9
374.97968	15.3
388.95660	8.6
392.98914	11.0
440.98785	6.5
544.24231	20.5
545.19910	77.6
558.41754	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01870	3.9
55.05507	21.9
57.03437	5.2
57.07067	1.1
59.04996	1.2
65.03933	1.4
67.05500	33.2
69.03413	2.3
69.07062	11.0
69.62906	0.8
69.81200	4.4
71.04977	2.7
79.05489	24.5
81.03414	3.7
81.07051	26.8
83.04985	3.2
83.08617	10.8
85.06535	1.7
91.05473	20.7
93.07043	21.0
95.04975	5.4
95.08598	18.3
97.06543	2.1
97.10157	14.0
103.05456	1.3
105.07030	20.1
107.04959	2.4
107.08587	15.6
109.06525	3.2
109.10156	11.5
111.08076	1.9
115.05466	2.4
117.07012	16.2
117.07771	1.6
119.08572	17.6
120.15604	0.8
121.06497	5.0
121.10135	7.6
123.08065	2.4
123.11712	2.4
125.09614	11.3
128.06233	3.6
129.07010	11.4
130.07809	1.8
131.08557	18.4
133.06502	1.9
133.10127	10.4
135.08086	4.8
135.11665	4.7
137.09671	1.1
141.06998	3.0
142.07791	2.7
143.08560	12.8
145.06493	3.4
145.10118	16.3
147.08064	1.7
147.11697	7.4
149.09671	2.5
149.13271	2.1
151.11278	1.2
153.07025	1.0
153.09120	1.7
155.08554	7.2
157.06569	1.3
157.10112	11.5
159.08064	3.7
159.11690	12.8
161.09593	1.9
161.13231	5.1
163.11169	2.5
165.06953	0.8
167.08604	3.3
168.09415	1.2
169.10107	8.8
171.08057	2.0
171.11664	9.7
173.09625	4.0
173.11833	1.8
173.13272	7.6
175.11217	1.3
175.14859	1.5
179.08629	1.4
181.10132	6.0
183.11678	7.9
185.09509	1.7
185.13240	5.8
187.11157	2.4
187.14813	2.7
189.11263	5.2
189.12724	1.1
193.10075	0.9
193.12215	1.6
195.11678	5.4
197.13177	4.8
199.11169	2.3
199.14819	4.5
201.12666	1.0
201.16376	1.2
207.11760	1.7
209.09904	1.0
209.13216	4.3
211.11357	1.0
211.14769	3.4
213.12724	1.6
213.16345	1.6
215.14368	1.4
221.13322	1.4
223.14886	3.2
225.16420	1.8
227.12680	7.6
233.13123	1.0
235.14825	1.6
241.15991	1.3
247.17093	1.3
259.20624	1.8
265.19620	1.2
267.15860	2.1
275.20157	2.3
281.22534	1.8
283.20569	3.3
297.22147	1.9
299.20392	1.1
299.23584	10.9
301.21655	2.6
313.21533	2.2
315.23172	0.9
321.22321	1.4
323.23526	1.0
333.24417	1.9
339.23303	2.0
343.22699	1.5
353.24731	0.9
354.74417	0.9
355.26651	1.3
357.24234	1.1
415.29907	2.7
421.26172	1.4
423.32401	1.7
433.30972	10.2
435.27496	1.6
451.32135	13.2
452.31921	1.0
469.33063	9.2
487.33981	1.3
489.33917	0.9
499.34000	1.4
507.34586	2.8
515.37506	1.3
525.35760	29.9
543.36786	100.0
544.37195	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
53.23105	0.5
55.01871	2.1
55.05510	14.8
57.03438	4.1
57.07074	1.2
67.05504	21.5
69.03413	1.4
69.07069	7.5
71.04980	2.2
71.08633	0.6
72.81222	0.6
75.97044	0.7
79.01761	0.6
79.05491	15.0
81.03419	5.1
81.07054	18.1
83.04974	2.8
83.08617	7.0
83.85633	0.6
85.06532	1.3
90.38448	0.5
90.50100	0.6
91.05476	17.3
93.07036	14.6
95.04961	5.1
95.08602	10.9
97.06510	1.6
97.10169	7.6
98.20790	1.3
99.08145	1.1
101.57710	0.6
103.05463	1.0
105.07025	14.0
105.07705	1.1
107.04957	2.3
107.08589	9.5
109.06525	2.0
109.10154	8.5
111.08102	1.3
115.05465	1.4
117.07017	9.8
119.08575	10.5
121.06493	2.3
121.10143	4.3
123.08061	0.8
123.11720	1.4
125.09624	5.2
128.06238	2.2
129.06996	8.9
130.07762	1.3
131.08563	16.2
133.06494	0.9
133.10132	8.2
135.08055	2.3
135.11682	2.7
136.21228	0.6
137.09639	1.1
141.06960	3.1
142.07773	1.4
143.08551	11.5
145.06503	2.4
145.10117	12.5
147.08014	1.1
147.11682	4.3
149.09634	1.2
149.13251	1.3
153.06941	0.7
153.09077	0.7
154.07668	1.0
155.08554	5.3
156.09326	1.1
157.06502	0.9
157.10123	9.7
159.08081	2.8
159.11691	9.0
161.09679	1.1
161.13246	2.7
163.11235	1.6
166.95140	0.6
167.08640	2.1
168.09306	1.3
169.10120	4.8
171.08102	1.4
171.11682	7.6
173.09665	2.6
173.11810	1.1
173.13251	5.7
175.11198	2.1
175.14792	1.1
179.08542	1.1
181.10126	3.8
183.08180	0.6
183.11668	5.1
185.09633	2.4
185.13211	5.5
187.11235	1.7
187.14871	2.6
189.11221	2.2
189.12720	0.8
193.10445	1.4
193.12321	2.4
195.11684	4.0
197.09631	0.6
197.13295	3.5
199.11165	1.2
199.14798	3.0
201.12868	1.0
201.16423	1.3
203.14365	0.7
207.11751	1.1
209.13321	2.8
211.14899	2.4
213.12811	1.3
213.16376	1.5
221.13280	0.9
223.14856	1.9
225.16466	1.2
227.12738	1.9
235.14767	1.1
237.16516	1.1
241.19514	1.9
243.15923	1.4
255.17354	0.8
259.20584	3.4
267.15955	2.1
271.20694	0.6
277.21808	1.0
283.20444	2.9
295.20490	0.8
297.19022	0.9
297.22250	2.4
299.23666	4.0
301.21518	1.0
311.20013	0.8
315.23322	1.0
321.22043	0.7
325.21576	1.0
327.23138	0.8
333.24261	2.2
339.23193	2.1
353.24884	1.3
357.24304	1.3
371.25769	1.0
405.31671	0.8
415.29971	2.1
423.32733	2.5
433.31116	6.1
441.34308	0.7
451.32040	11.4
469.33102	4.2
487.34082	0.7
507.34604	0.9
515.37213	2.3
525.35718	18.2
543.36810	100.0
544.37079	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	543.3676
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03918	1.5
55.01850	2.2
55.05507	16.7
55.72509	0.8
57.03427	3.7
57.07069	1.1
59.04984	1.3
65.03921	1.6
67.05503	22.9
69.02325	0.7
69.03439	1.7
69.07063	8.3
70.62876	0.8
71.04980	1.6
79.05486	14.5
81.03421	4.7
81.07050	18.5
83.04967	2.9
83.08611	9.5
85.06533	1.0
91.05474	15.0
93.07037	13.9
95.04991	6.0
95.08610	9.5
97.06509	2.2
97.10160	7.7
105.07027	15.1
105.83054	0.8
107.04953	2.3
107.08590	8.4
109.06515	2.4
109.10160	8.2
111.08070	1.8
115.05434	1.4
117.07004	8.9
119.04936	0.9
119.08578	9.9
121.06507	2.2
121.10129	3.6
123.08051	1.9
123.11727	1.2
125.09621	5.4
128.06236	2.9
129.06996	8.1
130.07774	1.7
131.08566	12.9
133.06497	1.3
133.10118	6.4
135.08026	2.2
135.11739	2.5
137.09610	1.8
141.07007	1.7
142.07774	2.8
143.08571	8.5
145.06500	2.1
145.10117	10.0
147.08072	2.6
147.11665	4.7
149.09625	1.6
149.13213	0.9
155.08551	6.1
157.06544	1.2
157.10139	7.9
158.07312	0.9
159.08113	4.3
159.11674	7.5
161.09627	1.7
161.13281	3.3
163.11089	1.3
167.08554	1.5
168.09372	1.0
169.10141	6.4
171.08034	2.0
171.11702	7.2
173.09666	2.2
173.13245	5.8
175.11195	1.5
175.14977	1.1
177.12790	0.8
179.08449	0.8
181.10132	2.5
183.11667	4.7
185.09615	1.4
185.13292	5.3
187.11156	2.1
187.14856	2.0
189.11189	2.2
189.12723	1.2
193.10287	1.4
193.12126	2.0
193.43010	0.8
195.11705	2.8
197.09616	1.2
197.13307	3.9
199.11183	2.3
199.14867	3.4
201.12683	1.5
201.16428	1.0
209.13321	2.0
211.14848	1.9
213.12846	1.8
213.16466	1.0
223.14803	1.3
225.12758	1.0
225.16441	1.8
227.12755	2.0
229.66785	0.8
235.14832	1.2
241.19586	1.4
247.17104	0.9
257.19003	0.9
259.20596	2.7
265.19562	1.2
267.16010	2.6
275.20386	0.8
277.21713	1.0
283.20523	2.0
297.22198	2.8
299.23569	5.1
333.24261	1.8
339.23221	1.7
357.24280	0.9
368.02551	0.8
371.25598	1.1
415.29816	1.8
423.32571	2.4
433.30972	6.7
451.32108	9.5
469.33151	4.3
487.34247	0.9
507.34662	1.6
515.37048	2.2
525.35754	15.3
543.36774	100.0
544.37329	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	543.3676
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03938	1.7
55.01865	1.9
55.05509	15.2
57.03438	3.6
57.07064	1.2
59.05002	1.1
65.03945	1.0
67.05502	19.5
69.03426	1.6
69.07061	6.9
69.24923	6.6
71.04976	1.8
79.05490	14.2
81.03423	3.9
81.06593	1.0
81.07055	15.8
83.04982	1.9
83.08620	7.3
85.06550	1.6
91.05477	11.3
92.95008	0.6
93.07041	14.3
95.04969	6.5
95.08597	9.6
97.06519	1.6
97.10176	6.4
103.05442	0.7
104.54570	0.7
105.07034	13.6
107.04961	2.5
107.08592	7.7
109.06490	1.7
109.10164	8.2
111.08096	1.6
115.05439	1.2
116.06271	0.8
117.07026	9.0
119.08572	8.5
121.06496	2.5
121.10122	4.2
123.08064	2.2
123.11716	1.5
125.09615	4.4
128.06226	2.8
129.06992	7.4
130.07787	0.7
131.08559	13.1
133.06453	1.1
133.10129	7.0
135.08043	2.6
135.11691	2.4
141.06982	2.3
142.07788	2.8
143.08554	8.3
145.06497	2.4
145.10117	9.8
147.08102	1.6
147.11674	4.8
149.09625	1.2
149.13284	1.0
155.08543	5.4
156.09361	0.9
157.06517	0.8
157.10110	9.2
159.08051	2.9
159.11665	6.5
161.09668	1.2
161.13281	2.7
167.08569	1.8
168.09248	1.0
169.10103	6.2
171.08083	1.4
171.11671	6.1
173.09685	1.4
173.11896	1.0
173.13220	4.5
175.11104	1.5
175.14795	0.6
177.12857	0.8
179.08595	0.6
179.14282	0.6
181.10153	2.7
183.08012	0.8
183.11681	5.0
185.09679	1.6
185.13257	5.1
187.11160	1.1
187.14853	2.0
189.11273	1.9
193.10225	1.0
193.12218	1.8
195.11658	4.0
197.13264	3.8
199.11070	1.1
199.14761	3.3
201.12764	1.6
201.16264	0.9
203.14322	0.6
209.13264	2.3
211.14915	1.3
213.12756	1.1
213.16386	0.7
221.13266	0.8
223.14848	1.8
225.16396	1.1
227.12709	1.8
229.14290	1.7
237.16388	0.8
239.14319	0.8
239.17928	1.3
241.15941	0.9
241.19363	1.0
259.20547	3.5
267.15948	2.0
271.16882	0.7
277.21814	0.7
281.22601	0.9
283.20432	1.6
297.22238	2.3
299.20627	1.0
299.23679	4.3
301.21707	1.0
309.22183	1.1
313.21686	1.1
315.23218	0.8
321.21957	0.9
327.23398	0.9
333.24133	1.8
339.23068	1.3
371.25897	1.0
415.30008	1.3
423.32501	2.6
433.30939	6.0
451.32120	8.7
469.33136	4.2
487.34052	1.0
507.34540	1.3
515.37579	2.0
525.35809	15.5
526.36102	1.0
543.36786	100.0
544.37024	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01852	3.1
55.05245	0.9
55.05508	18.2
57.03422	4.0
57.07061	2.0
59.04958	0.9
65.03948	1.2
65.59115	0.8
67.05502	26.9
69.03425	2.2
69.07062	8.1
70.14603	1.7
70.14993	2.1
71.04993	1.9
79.05487	21.7
81.03413	5.0
81.07047	24.5
83.04962	3.1
83.08617	9.9
85.02890	1.0
85.06536	2.6
91.05471	22.2
93.07033	15.5
95.04955	6.0
95.08598	12.8
97.06535	3.4
97.10166	10.9
105.07021	18.3
107.04903	1.5
107.08584	12.0
109.06509	1.7
109.10166	8.4
111.08058	2.7
115.05452	1.1
117.07011	11.1
119.08571	14.2
121.06494	2.8
121.10156	5.9
123.08025	1.4
123.11697	2.7
125.09641	6.2
128.06239	2.9
129.07001	10.6
130.07777	2.3
131.08559	17.9
133.06512	1.6
133.10103	10.0
135.08054	2.6
135.11685	3.4
141.06967	3.5
142.07787	2.5
143.08563	10.4
145.06519	2.5
145.10112	13.5
147.08009	1.9
147.11732	5.8
149.09657	2.4
149.13220	1.1
155.08543	8.0
157.10132	10.7
159.08037	3.5
159.11676	10.6
161.09595	1.0
161.13255	2.6
165.06827	1.1
167.08601	3.4
168.09370	1.2
169.10129	7.4
171.08092	2.1
171.11681	8.6
173.09622	2.1
173.11868	1.5
173.13187	5.4
175.11205	1.2
175.14836	2.0
179.08490	1.2
181.10133	3.9
183.11696	6.2
185.09723	1.5
185.13214	6.8
187.11131	2.6
187.14769	2.1
189.11198	2.6
189.12746	1.0
193.10234	1.5
193.12291	2.4
195.11684	3.4
197.13321	4.3
199.14828	4.1
201.12724	1.4
201.16347	1.1
207.11673	1.1
209.13150	1.9
211.14864	1.3
213.16463	1.5
221.13341	1.0
223.14822	3.1
225.16385	1.1
227.12698	1.2
227.17905	1.0
241.15880	1.3
241.19601	2.0
259.17447	0.9
259.20560	3.5
267.15961	2.5
281.22629	1.4
283.17218	1.0
283.20584	2.6
297.22208	2.3
299.23758	5.3
301.21799	1.3
315.23346	1.3
325.21802	1.2
333.24350	2.3
339.23248	2.1
355.26382	1.1
357.24326	1.3
405.31622	1.5
415.30069	2.1
423.32510	1.5
433.30997	7.0
451.32007	10.0
469.32904	5.5
487.35007	1.2
489.32779	1.2
507.34296	1.7
515.37787	2.0
525.35687	17.9
543.36780	100.0
544.37134	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03946	7.3
55.01640	1.1
55.01875	15.1
55.05512	26.3
57.03441	4.9
57.07077	1.7
65.03930	4.6
67.05505	75.5
69.03451	2.3
69.07068	43.5
70.71232	2.7
71.04981	4.0
75.94740	0.9
79.05495	53.4
81.03422	10.4
81.07056	90.5
83.04980	8.1
83.08614	15.1
85.06538	5.1
91.05482	61.2
93.07047	63.2
95.01326	11.0
95.04972	12.1
95.08607	40.8
97.06535	36.0
97.10165	4.4
99.08053	2.1
101.98371	1.1
103.05449	2.1
105.04537	2.8
105.07034	74.5
107.04233	1.2
107.04951	18.4
107.08597	29.5
109.06528	4.8
109.10153	10.9
111.04482	0.9
111.08084	3.8
115.05437	2.3
117.07032	19.8
119.08583	37.1
121.06499	3.7
121.10155	17.2
123.04425	2.8
123.08075	4.4
123.11708	3.2
125.09618	3.2
126.43212	1.2
127.07594	1.0
129.06998	3.2
131.08563	31.9
131.67543	1.1
133.06541	1.3
133.10133	46.6
135.08034	3.9
135.11676	11.0
135.33936	0.9
137.09650	3.1
139.07487	1.8
141.06979	2.0
143.08539	5.0
145.06467	2.3
145.10136	18.1
147.08076	1.9
147.11693	19.5
149.09598	8.1
149.13258	14.5
151.11147	1.8
155.08542	2.6
157.10118	4.8
159.11690	15.9
161.09586	2.3
161.13271	6.2
163.11186	5.2
163.14842	1.1
165.09091	4.0
169.10109	3.5
171.11674	3.3
173.13271	4.4
175.11154	1.2
177.12718	5.9
179.14322	21.6
183.11662	2.5
185.13193	1.2
187.11201	3.9
187.14813	2.3
193.12297	1.4
195.13760	4.8
197.13248	2.1
201.12732	1.1
207.13809	1.1
229.19481	1.4
239.17960	3.4
241.14200	2.0
247.17113	1.0
247.20602	3.9
251.16463	2.3
257.18982	8.3
269.17444	2.0
275.20071	100.0
276.20395	2.6
279.15958	2.4
293.21167	8.8
331.22809	1.9
336.90186	1.1
349.23770	3.8
415.30316	1.1
451.32126	1.3
452.64114	1.2
515.37146	1.2
525.35571	1.8
543.36774	62.6
544.37396	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	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64141	2.8
71.80961	0.4
86.11934	0.4
91.43391	0.5
96.38847	0.4
97.02898	0.4
116.98647	0.5
139.00787	0.6
160.01443	0.6
176.04860	0.4
181.01796	0.7
205.52478	0.5
211.02838	0.6
232.03490	0.6
245.05183	1.3
262.04486	0.5
292.05426	0.7
299.92816	0.5
303.80765	0.6
319.21808	0.5
335.71399	0.6
344.05716	0.5
351.11237	0.5
363.06647	2.7
381.07855	12.2
543.13257	100.0
544.13678	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	543.3677
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03941	2.2
55.01863	2.0
55.05508	13.7
55.59226	0.8
57.03420	3.0
57.07083	1.5
60.79344	0.8
65.03940	1.0
67.05500	25.5
69.03418	2.0
69.07064	7.5
69.37323	8.2
71.04977	2.1
72.38611	0.9
79.05492	17.9
81.03390	5.4
81.07049	21.8
83.04973	4.1
83.08616	7.7
85.06539	1.2
91.05482	18.2
93.06487	1.4
93.07041	16.5
95.04950	6.0
95.08600	10.8
97.06541	3.0
97.10154	7.3
98.20904	2.2
99.08025	1.3
105.07030	14.6
107.04946	3.6
107.08585	11.7
109.06493	2.1
109.10158	8.6
111.08058	1.4
115.05440	1.6
117.07011	8.9
119.08562	11.2
121.06490	1.5
121.10134	5.1
123.07997	1.1
123.11698	2.5
125.09599	5.8
128.06192	1.2
129.06992	5.7
131.08565	13.5
133.06476	1.5
133.10124	8.6
134.26823	0.9
135.08025	2.8
135.11679	3.2
141.07001	2.2
142.07803	1.5
143.08545	7.4
145.06496	1.8
145.10112	10.6
145.72049	1.0
147.08009	2.3
147.11717	6.4
149.09581	2.1
149.13223	1.9
151.11092	1.2
155.08543	4.9
157.10115	6.9
159.08075	1.8
159.11673	6.7
161.09644	1.8
161.13300	4.0
163.11162	1.7
167.08601	2.4
169.10051	5.1
171.11685	6.7
173.09668	1.8
173.13231	4.7
175.11232	1.2
179.14305	2.2
181.10175	1.5
183.11713	4.6
185.09561	1.8
185.13306	3.2
187.11194	1.1
187.14799	1.9
189.11186	2.4
189.12741	1.2
193.12346	1.5
195.11710	2.7
197.13261	3.2
199.11015	1.5
199.14848	2.0
201.12721	2.0
209.13251	2.3
211.14830	1.8
213.12674	1.2
213.16582	1.2
223.15129	1.1
227.12692	2.1
241.19472	1.4
247.17015	1.0
255.17461	1.3
255.21121	1.2
257.19028	1.2
257.35266	1.0
259.20654	3.0
267.15836	2.0
275.20056	5.9
277.21729	2.3
283.20483	1.8
297.22125	1.9
299.23715	4.1
333.24399	1.6
357.24380	1.8
415.30338	1.6
423.32526	2.1
433.30917	5.0
451.32150	7.9
456.58340	1.1
469.33304	4.1
507.34622	1.2
515.37408	1.9
525.35773	14.8
527.70325	1.1
543.36798	100.0
544.36700	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	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.1
71.50495	1.4
80.53407	0.8
85.02895	3.6
87.09943	0.8
97.02848	1.5
127.03919	2.0
145.04922	1.1
155.01964	0.9
163.03899	1.3
219.01360	0.9
245.05061	2.0
251.20282	0.8
280.99783	0.8
351.11252	1.0
360.32794	0.8
363.06995	3.0
381.07877	13.8
419.75952	0.9
426.87143	1.0
543.13214	100.0
544.13721	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	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
59.05001	44.2
59.07579	2.6
59.58123	2.0
59.88625	2.0
67.05497	13.6
69.03429	10.7
69.07069	7.6
69.96166	9.8
71.04981	2.4
79.05491	9.8
81.07053	7.6
91.05475	5.0
93.07035	7.6
95.04965	5.7
95.08604	35.1
97.02882	2.4
97.06536	12.4
98.21420	2.9
105.07024	7.4
106.18552	2.1
107.04963	4.0
109.02871	33.2
109.10158	34.2
115.30704	2.0
117.07045	4.7
119.08579	15.8
121.10147	24.4
123.07214	4.5
123.08070	50.7
125.05953	2.8
130.46582	2.0
137.09618	35.8
139.11160	5.0
141.09096	17.6
145.06523	10.1
147.08049	9.3
165.09096	39.6
177.05438	2.9
183.10168	100.0
188.32620	2.2
201.11206	5.9
207.06479	3.8
285.13239	4.4
327.14307	2.7
345.15439	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	542.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.6
55.01829	1.6
55.05497	1.8
59.04998	38.9
60.04550	2.5
64.61935	1.5
67.05509	8.8
69.03422	7.3
69.07070	7.0
71.04982	4.7
71.50410	1.9
79.05479	8.0
81.03409	2.5
81.07053	7.9
85.02914	8.5
86.60523	1.6
87.04451	2.1
91.05459	4.0
92.69229	1.5
93.07050	3.7
95.04971	6.6
95.08604	32.0
97.02896	4.5
97.06527	12.2
105.07011	6.0
107.04948	4.9
109.02872	31.2
109.10152	31.1
119.08587	16.4
121.10143	17.7
123.04391	2.4
123.08064	49.2
125.06000	3.7
127.03958	3.1
137.09608	31.3
139.11209	5.1
141.09103	13.0
147.08018	5.3
153.01855	2.9
165.01883	2.5
165.09111	40.1
168.11644	2.1
177.05403	1.8
183.10170	100.0
197.46199	1.8
201.11218	12.3
221.43698	1.8
272.06522	3.0
327.14343	4.5
345.15500	12.4
370.67706	1.8
390.15884	1.7
436.74442	2.0
537.57745	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	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
51.70092	1.1
53.03946	9.1
55.01862	3.0
55.05507	28.4
57.03432	4.0
57.07064	3.1
58.70353	1.1
65.03931	5.7
67.05502	89.7
69.03423	1.3
69.07067	18.7
69.26736	12.8
71.04986	3.2
75.28166	1.2
77.03919	2.0
78.49957	1.2
79.05492	100.0
81.03426	9.2
81.07053	70.4
83.04987	12.2
83.08618	10.3
85.06552	2.7
91.05477	70.5
93.07040	95.7
95.04962	23.5
95.08604	50.9
97.06537	5.6
97.10159	5.2
105.04510	4.3
105.06313	2.8
105.07029	53.4
107.04980	6.6
107.08589	36.5
109.06512	6.3
109.10149	14.3
111.08073	2.0
115.05459	2.0
117.07005	12.2
119.08588	30.8
121.06528	3.0
121.10143	23.3
121.10954	2.2
123.08067	4.8
123.11700	2.2
127.07597	1.3
128.06210	2.7
129.06999	18.2
131.08549	12.3
133.06496	1.7
133.10133	16.2
135.08105	1.8
135.11696	13.4
136.02768	1.3
137.09660	1.5
141.07024	1.5
142.07840	1.7
143.08517	11.4
145.10110	15.0
147.08115	2.2
147.11682	37.1
147.12822	2.4
149.13289	5.2
155.08601	2.3
157.10156	3.2
159.11719	3.6
161.09668	3.1
161.13240	14.5
169.10172	1.4
170.31970	1.2
171.11681	26.3
173.13240	3.7
175.14891	1.6
181.10144	2.3
183.11768	1.8
185.13306	1.9
187.14868	1.9
189.12730	11.2
191.14227	1.5
195.11732	1.4
197.13216	1.8
207.13797	29.6
211.15068	1.3
213.16441	1.5
225.14771	2.6
243.21248	1.7
259.10873	1.4
261.22174	4.3
281.17337	1.7
398.83817	1.2
399.88223	1.5
449.34332	2.5
467.35376	1.6
472.13992	1.4
485.36090	1.8
523.37988	2.8
541.38904	95.5
542.39075	3.5
569.68573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82745	0.5
53.03940	1.9
55.01874	4.6
55.05512	23.6
57.03440	3.3
57.07078	1.6
59.04984	0.8
65.03928	1.9
67.05505	26.9
69.03426	2.1
69.07071	9.2
69.31422	4.4
69.31834	1.4
71.04977	2.0
79.05490	21.9
79.05872	0.6
81.03419	6.0
81.07055	21.2
83.04987	3.5
83.08622	10.5
85.06545	1.2
91.04906	1.0
91.05480	18.0
93.07047	14.1
95.04977	7.7
95.08606	10.7
97.06535	2.3
97.10171	13.1
103.05441	1.3
105.07034	15.4
107.04969	3.3
107.08587	10.6
107.92944	0.5
109.06499	2.5
109.09031	0.5
109.10153	6.5
111.08079	1.8
115.05462	2.6
116.06193	0.7
117.07016	10.9
119.08573	11.4
121.06510	1.6
121.10110	4.0
123.08060	1.4
123.11696	1.5
125.09628	12.8
125.10467	1.2
128.06198	4.1
129.07004	12.2
130.07784	1.1
131.08566	11.5
133.06488	1.4
133.10124	6.5
135.08066	2.2
135.11722	2.8
137.09549	0.7
141.06999	5.6
142.07773	3.3
143.08562	12.6
145.06506	3.1
145.10120	11.8
147.08061	2.7
147.11670	3.2
149.09627	1.4
153.07014	1.1
153.09099	1.0
153.12714	1.1
154.07727	1.8
155.08554	9.2
156.09357	1.3
157.06529	2.3
157.10126	12.9
159.08070	2.8
159.11684	6.4
161.09613	1.6
161.13280	1.5
163.11215	1.9
165.07016	1.0
166.07809	0.7
167.08582	3.7
168.09312	1.4
169.06439	0.7
169.10114	9.5
170.07224	0.7
170.10973	0.9
171.08037	2.8
171.11693	9.6
173.09668	2.4
173.13287	2.8
175.11192	1.5
177.12715	0.7
178.07690	0.6
178.60332	0.6
179.08559	2.3
180.09357	1.0
181.10114	5.0
181.12289	0.9
182.10886	1.0
183.08116	1.3
183.11649	9.0
185.09673	2.7
185.13231	6.5
187.11166	1.3
187.14862	1.3
189.11227	6.2
192.09265	1.1
193.10159	2.8
193.12019	0.8
195.11722	5.3
197.09641	1.9
197.13278	5.4
199.11182	2.4
199.14841	3.8
201.12694	0.6
201.16441	0.8
205.10271	1.0
207.11687	2.3
209.13307	4.3
211.11172	1.2
211.14847	2.3
213.12758	1.8
213.16348	1.0
219.11703	1.0
221.13336	2.8
223.11133	0.8
223.14804	3.0
225.12770	2.2
227.12729	6.6
233.13298	1.2
235.14799	1.7
237.16484	1.6
239.14366	1.3
239.18036	0.8
241.16113	0.7
241.19144	0.7
247.14877	1.1
253.15858	1.0
255.17644	1.0
257.19061	2.2
259.14737	0.6
259.20413	0.9
263.14261	0.6
263.18002	1.1
269.19135	0.6
271.16806	0.7
275.20273	2.9
277.19336	0.8
279.20963	1.0
281.19022	1.4
283.17050	0.8
285.18448	1.0
295.17371	0.6
295.20547	1.8
297.18826	1.3
297.22134	8.1
299.20172	1.3
305.19159	1.1
307.20407	0.7
309.21964	1.0
313.17880	0.8
313.21643	0.7
315.23376	1.1
319.20853	0.7
323.20267	1.0
325.21786	1.5
333.22171	0.7
337.21719	1.6
338.26663	0.6
339.23169	0.7
347.22961	0.6
349.21774	0.9
351.23209	1.1
355.22601	1.3
365.24963	0.6
389.23987	0.8
403.30411	0.7
413.28543	1.7
415.24564	0.7
421.31027	2.2
431.29349	6.6
443.27997	1.6
449.30408	10.8
450.30920	1.1
459.27026	1.0
467.31485	6.1
467.36993	0.8
485.32550	3.8
497.32828	0.9
505.33118	1.1
513.35980	1.7
523.34180	13.4
524.34088	0.9
541.35248	100.0
542.35974	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	541.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12990	0.2
61.71858	0.2
69.03424	0.6
70.80569	0.7
81.07056	0.4
89.88699	0.3
91.05473	0.4
93.07036	0.7
95.08620	0.3
97.06562	0.3
105.07030	0.6
107.08592	0.4
117.06998	0.3
119.08564	0.3
121.06441	0.3
131.67511	0.3
145.10156	0.3
147.11685	0.4
197.13289	0.3
207.06593	0.4
250.57059	0.3
314.74524	0.3
363.12012	0.9
364.12790	1.2
378.14389	0.7
379.15146	33.1
380.15451	0.9
455.36371	0.3
541.20428	100.0
542.20880	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
55.01876	13.0
55.05507	24.9
57.03448	6.4
57.07051	1.6
65.03928	3.2
67.05501	52.3
69.03411	2.9
69.07063	34.4
70.18383	3.4
70.18789	2.1
71.05001	3.3
77.03893	1.4
79.05491	44.9
80.45679	1.2
81.03414	73.8
81.07052	56.0
83.04974	10.6
83.08617	20.4
85.06547	3.6
91.05476	62.1
93.07036	40.5
95.01320	10.4
95.04961	29.1
95.08602	36.0
97.02856	2.1
97.06531	16.2
97.10159	8.7
98.20839	1.3
99.08110	1.3
99.72115	1.1
103.05448	2.0
105.04488	1.4
105.07025	67.8
107.04954	22.4
107.08591	18.1
109.06495	6.1
109.10150	11.1
111.04453	2.5
111.08095	6.9
112.56501	1.0
113.09625	1.1
115.05453	4.0
116.06209	2.1
117.07011	19.1
119.04913	1.6
119.08575	42.7
121.06490	6.0
121.10144	12.8
123.04438	1.7
123.08062	5.0
123.11689	1.7
125.09635	6.5
128.06197	3.8
129.07014	17.0
130.07774	1.4
131.04886	1.4
131.08556	28.9
133.06483	5.0
133.10118	37.9
135.08043	4.7
135.11682	8.6
137.05951	1.3
137.09656	3.0
139.07594	1.3
139.11101	1.6
141.06966	6.1
142.07733	5.7
143.08543	9.8
145.06468	4.0
145.10104	22.3
147.08041	4.3
147.11667	20.1
149.05989	1.2
149.09599	12.1
149.13234	4.0
151.11174	1.8
153.07079	1.3
154.07790	1.5
155.08511	8.2
156.09464	1.2
157.10121	13.5
159.08031	2.9
159.11676	13.3
161.09589	2.2
161.13275	5.5
163.11182	4.8
165.09091	1.9
165.12653	1.5
167.03355	1.2
167.08553	3.7
169.10091	9.9
171.08018	1.9
171.11687	8.3
171.56757	1.2
173.09607	1.8
173.11897	1.5
173.13162	5.4
175.11191	6.9
177.12747	5.1
179.08565	2.5
179.14285	17.6
181.10123	3.9
181.12244	1.2
183.11787	5.6
185.09608	2.8
185.13257	5.5
187.11234	4.7
187.14752	1.4
189.11143	2.5
193.10335	2.2
193.12263	14.7
194.10921	1.3
195.11749	2.9
195.13782	1.7
197.09674	1.4
197.13243	5.6
199.11176	1.7
199.14786	1.2
201.12758	1.5
205.12270	2.2
207.11710	1.9
209.13286	3.0
211.14929	1.6
215.17955	1.4
221.13274	1.4
225.16243	1.3
227.12823	2.1
229.19534	2.4
233.13322	1.6
233.15527	1.2
234.52434	1.3
235.14771	1.3
239.17982	3.3
247.20619	3.9
249.14841	2.4
257.18964	10.6
267.15927	2.8
275.20056	80.5
276.20398	2.1
281.18927	1.4
293.20984	5.8
297.22159	3.1
299.20010	1.1
313.21884	2.8
323.20129	1.5
325.21588	1.4
349.23907	2.4
368.02600	1.2
413.28354	1.4
421.30951	1.7
431.29532	5.3
439.32324	1.3
449.30377	8.6
467.31729	5.5
513.35352	1.5
523.34076	10.3
541.35223	100.0
542.35474	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
61.02909	1.4
62.30576	0.7
67.32838	0.7
69.03419	1.5
69.54660	1.2
69.55064	3.6
70.06567	0.9
79.05472	0.9
81.03439	1.1
81.07051	1.1
83.04987	0.8
85.02903	6.0
91.05477	9.8
93.07013	1.1
94.04176	1.1
95.04967	3.0
97.02886	1.8
103.05406	1.5
105.06979	1.5
107.04952	2.2
109.02850	0.7
109.06493	1.8
110.07139	0.7
111.04447	0.8
113.02509	0.8
115.05508	0.6
117.06980	0.9
119.04939	8.8
121.06498	2.3
122.03643	2.7
123.04398	1.3
127.03870	0.8
128.06209	1.2
129.07007	5.6
131.04898	3.0
131.08569	2.2
135.08058	2.3
136.05186	1.5
137.05975	39.4
141.06982	1.7
145.04977	1.9
145.06462	1.6
147.04417	2.1
147.08067	1.1
149.06023	6.6
151.07542	64.7
152.07915	0.8
157.06482	6.7
159.08084	1.3
160.05214	0.8
161.05995	6.1
161.09630	1.2
163.06297	1.3
163.07552	13.1
165.06943	1.7
165.09131	2.1
167.07204	1.2
167.08562	5.5
174.06804	4.5
175.03885	1.4
175.07520	5.2
176.86626	0.7
177.09109	4.2
178.07800	1.5
181.10089	0.9
189.09126	20.7
193.06490	2.9
193.08455	0.9
193.10118	3.4
195.08026	11.0
196.08679	0.9
197.05971	1.4
201.09067	2.0
203.08546	0.7
207.06459	1.0
207.08295	1.2
207.10112	3.3
209.09624	2.6
210.06795	1.4
211.07607	1.2
212.08340	2.5
219.10152	19.8
221.05968	3.2
221.09636	4.6
223.07541	5.7
224.08287	1.0
225.09077	4.3
227.10648	16.0
235.07642	0.9
237.09151	1.7
238.06337	1.6
239.06958	0.8
240.07771	1.9
241.08681	0.9
241.12196	0.9
249.09099	3.7
253.08614	7.2
253.12241	9.0
255.10159	18.9
267.10132	3.8
269.08182	1.6
269.11783	1.1
272.10406	1.7
281.11777	4.1
284.10397	1.7
285.11227	13.8
287.12772	32.6
288.07916	0.9
288.13309	0.9
299.12558	1.7
301.09750	0.9
301.14462	1.5
313.14334	36.3
313.60413	0.7
314.14447	0.9
329.09573	0.9
331.15399	100.0
332.15683	2.9
361.11810	1.2
380.06906	0.7
383.83612	0.7
407.45868	0.9
540.19128	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56426	0.9
59.76381	0.9
63.16375	1.2
65.03943	1.7
69.03416	2.3
70.06577	1.6
79.05477	1.0
79.74045	1.0
81.03408	1.5
85.02900	8.6
85.03712	1.1
91.05483	9.1
95.04977	2.9
97.02908	1.0
99.08105	1.0
103.05508	1.1
105.07031	1.5
107.04951	2.5
109.06499	2.3
119.04939	6.8
121.06506	2.0
122.03646	2.4
123.08073	1.1
129.06996	6.2
129.07805	1.0
131.04938	3.5
133.06525	1.4
135.08034	2.7
136.05173	1.3
136.98595	0.9
137.05971	32.6
145.04971	1.7
145.06505	2.0
147.04395	1.4
149.05972	5.9
150.15254	1.0
151.03989	1.0
151.07536	44.1
157.06529	5.2
161.05986	5.7
161.09641	1.2
163.07527	9.6
165.06987	2.1
165.09137	2.0
167.08499	4.6
174.06787	2.3
175.07578	3.6
177.09149	4.7
181.06453	1.3
189.09093	17.2
191.10802	1.1
193.06473	2.0
193.10167	3.2
195.08032	9.5
196.08826	1.1
203.08632	1.5
207.10170	2.9
209.05966	1.2
210.06784	2.9
221.05983	4.5
221.09514	4.8
223.07545	4.8
224.08420	1.7
225.09189	3.2
227.10661	15.2
241.12236	1.1
249.09164	1.9
251.07324	1.0
253.08502	5.1
253.12250	7.8
255.10162	13.8
256.10910	1.3
267.10178	2.2
269.08066	1.2
272.10516	2.0
281.11798	4.2
285.11197	9.6
287.12753	25.4
299.12601	1.8
313.14310	26.5
325.14124	1.2
331.15381	100.0
332.15735	2.4
337.67175	1.1
343.15277	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
53.72466	2.9
55.01851	3.0
55.05502	4.6
56.35946	2.6
57.03416	4.9
57.50320	2.6
59.05000	4.1
62.50856	2.7
67.05494	8.4
69.03419	10.9
69.07081	5.4
71.04992	16.5
71.51460	5.3
79.05480	14.0
79.08012	2.5
81.03427	17.5
81.07053	35.4
83.04977	4.2
85.02898	16.7
85.06538	3.9
91.05477	11.0
93.07051	23.3
95.04955	4.8
95.08614	18.6
97.02889	11.6
97.06512	10.5
99.04498	3.6
103.05490	2.8
105.07036	13.5
107.08575	14.5
109.02908	13.5
109.06506	3.5
119.04915	3.4
119.08575	5.2
121.06491	3.4
121.10139	72.8
123.11708	17.2
125.06008	9.7
125.09624	10.6
127.03909	11.8
131.04893	5.8
131.08594	5.7
133.10121	26.8
135.08029	6.1
137.05969	100.0
139.11162	12.4
143.03360	4.2
145.05086	2.8
145.10043	2.9
147.04454	5.4
147.11655	4.4
149.09578	13.4
149.13243	4.7
153.01831	78.8
163.07539	4.5
163.11230	2.5
167.07007	2.8
167.10660	31.2
171.02872	11.5
173.13234	6.2
175.07520	2.8
177.05493	11.2
177.09068	4.5
181.04996	4.5
185.11668	18.8
187.11205	11.2
191.14316	8.2
207.06557	4.8
219.13855	5.4
227.12830	5.8
243.06497	4.3
293.13785	6.4
297.05981	6.8
311.14996	11.3
315.07095	32.1
329.15967	30.9
343.19049	24.2
347.16983	23.9
389.45880	3.0
505.20337	4.9
540.28491	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	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88824	1.4
55.05510	2.7
57.03414	1.7
57.07061	2.7
59.05002	4.0
67.05500	10.8
69.03417	3.7
69.07059	7.3
70.57150	4.3
71.04984	13.5
79.05495	12.2
81.03429	2.0
81.07050	44.1
83.04968	2.6
85.02886	3.4
85.06541	3.3
91.05478	5.3
92.05791	1.6
93.07054	14.0
95.04958	15.8
95.08601	14.8
97.02892	1.7
97.06527	9.0
101.93896	1.4
104.76931	1.4
105.06993	7.3
107.04966	2.4
107.08585	7.8
109.02917	2.1
109.13245	1.3
111.04426	3.2
111.11724	2.2
119.04951	2.1
119.08582	3.4
120.20554	1.5
121.06491	3.5
121.10136	100.0
122.10484	1.7
123.04466	3.9
123.08138	2.4
123.11695	36.7
125.05974	14.8
125.09592	1.7
127.03934	2.5
137.13187	1.8
139.11165	27.2
147.04416	2.7
149.09612	13.8
167.06950	2.2
167.10670	74.0
175.03967	2.3
177.05476	9.5
185.11720	47.4
189.05562	1.6
197.05782	1.9
201.05394	3.6
207.06506	2.2
208.06778	2.7
215.95659	1.4
219.06471	1.7
220.82227	1.6
225.05457	3.6
243.06583	5.2
267.06494	4.9
303.08563	3.2
329.15967	3.4
540.28729	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	540.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01862	10.2
55.05511	2.0
57.03419	2.7
57.07083	7.9
57.18539	1.6
59.04991	2.3
66.00368	1.5
67.05511	7.7
69.03413	7.1
69.07063	11.0
69.82271	9.6
70.02940	5.7
70.06590	1.8
71.04980	2.8
72.04511	25.4
73.02916	10.5
74.02454	2.7
81.03413	21.6
81.07068	4.0
83.04964	8.5
85.02888	6.6
85.06541	11.6
86.09693	4.0
87.08081	3.9
90.05553	39.8
91.05463	5.7
93.07014	2.1
95.04965	14.4
95.08625	2.9
96.08124	4.4
97.02887	8.8
98.02419	20.2
98.21438	1.9
99.04443	4.1
99.08104	1.6
100.04005	7.8
103.03915	3.4
103.05455	2.4
103.07584	4.2
105.07034	4.4
107.04964	4.2
107.08575	2.6
109.02869	26.6
113.06059	7.8
116.03452	21.7
119.04955	3.3
119.08572	2.7
120.08100	1.8
121.10136	4.0
123.04419	2.7
124.07580	28.4
127.03895	13.0
130.08601	1.8
131.04918	5.4
132.06546	13.3
137.02321	4.6
137.05968	10.0
142.08623	19.1
145.04951	8.5
145.06248	1.4
147.04411	4.5
147.11682	2.0
151.03879	2.1
151.07515	1.7
156.10185	2.1
157.05029	2.5
157.06505	4.6
158.04535	1.9
160.09752	8.1
161.05978	2.5
162.06659	3.9
163.03836	1.9
163.07501	4.7
165.06978	2.5
166.08638	6.2
172.09705	3.9
174.11259	4.0
175.03918	3.2
177.05460	5.2
177.09071	6.4
181.05011	1.8
183.08170	1.6
184.09679	37.5
189.05467	2.6
198.07631	3.9
199.05957	2.4
202.10730	100.0
207.06459	2.9
207.10214	1.7
208.06744	2.3
211.09607	8.9
213.05443	2.8
216.08691	4.5
217.07039	2.4
220.11806	28.7
226.10687	2.6
230.10196	11.6
234.09731	8.8
239.07079	2.8
244.11789	5.6
245.08104	2.4
262.12830	31.8
267.06519	18.0
284.10114	1.9
285.07529	3.1
310.12836	9.2
322.15036	3.1
325.10709	1.7
325.14304	5.8
328.13895	54.8
339.08551	2.0
341.13766	4.9
342.14133	5.8
343.14545	10.1
346.14810	11.0
364.16025	17.2
374.12192	2.7
432.13223	1.7
486.17490	3.3
508.20474	2.5
522.90466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.0
55.05502	1.1
55.31535	0.8
57.19192	0.8
69.03418	4.1
69.25054	8.2
69.55365	0.8
70.06565	1.8
70.60740	0.8
74.78450	1.2
76.82407	0.8
79.05459	1.5
80.38345	0.8
81.03415	2.0
81.07053	1.7
83.04944	1.0
85.02904	8.8
91.05480	1.7
93.07025	1.5
95.08640	1.2
96.36822	0.9
97.02888	3.2
98.21595	1.5
99.04392	1.1
103.05455	1.0
107.04968	5.4
107.08562	2.3
109.02886	1.1
109.10157	1.5
115.05460	1.0
119.04929	2.0
121.06499	1.5
121.10102	1.4
123.04407	7.7
127.03902	1.9
128.51436	1.0
131.04909	2.8
133.06554	1.2
135.04408	3.3
137.05978	22.6
139.01567	1.0
145.04889	1.0
145.06541	1.2
147.04387	14.4
149.05998	3.1
150.06773	3.1
151.03920	1.6
152.04749	0.9
153.01794	2.2
153.05455	2.9
154.41460	1.1
161.05960	6.7
163.03978	1.4
163.07513	7.8
165.05605	1.6
165.07031	2.4
167.10770	1.1
175.07578	1.5
177.05469	2.3
177.09097	6.7
179.07039	2.0
183.08116	2.3
189.05464	14.3
191.07039	1.5
193.06450	2.6
207.06456	1.5
207.08199	1.7
207.10080	1.5
210.06824	1.9
211.07570	5.9
218.11758	2.3
221.06006	8.9
221.07999	2.1
225.08992	5.2
235.07564	3.6
236.12759	4.4
238.06313	2.3
239.07019	13.6
246.95978	1.0
248.12808	1.8
251.06932	1.4
252.08011	1.1
253.08615	14.4
263.07056	5.1
267.10101	1.0
271.09644	47.6
277.08548	1.4
281.08081	5.2
283.09659	4.0
285.11371	1.2
295.09567	8.1
313.10681	100.0
325.10745	1.7
331.11725	66.8
343.11700	14.3
370.16415	3.2
540.18713	10.7
541.18561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01870	40.5
55.05511	28.6
57.03189	1.1
57.03412	7.2
57.07073	72.7
65.03950	1.9
67.05502	41.0
68.54006	1.2
69.03424	15.3
69.07065	19.4
70.04185	1.3
70.67700	2.3
70.68077	2.5
71.01366	2.1
71.04982	2.9
71.08630	46.4
73.02905	5.6
79.05493	24.5
81.03421	7.6
81.07053	45.4
81.07536	2.3
82.04195	9.7
83.04968	14.4
83.08615	24.1
84.05726	1.8
85.02903	2.2
85.06537	2.0
85.10175	28.8
89.06052	1.5
91.05471	18.3
93.07042	16.8
95.04970	15.1
95.07994	2.5
95.08601	44.8
95.10769	1.3
97.02880	3.8
97.06531	11.6
97.10171	15.9
98.07310	10.4
99.08031	1.8
105.07034	10.9
107.04957	3.5
107.08566	9.3
109.06533	3.3
109.10156	26.4
111.04421	1.7
111.08053	8.3
111.11683	2.7
117.07005	3.4
119.08590	7.0
120.09335	1.7
121.06496	3.5
121.10123	4.7
123.08030	6.4
123.11691	6.6
125.09637	5.6
125.13197	2.5
127.07629	1.5
127.11196	5.4
129.07034	3.3
131.08553	4.3
133.10104	5.6
135.08044	1.6
135.11667	1.7
136.08841	2.7
137.09567	1.7
137.13220	3.2
145.10115	3.0
147.10664	1.4
147.11702	5.8
149.09593	2.4
151.14778	1.8
153.12666	1.6
156.36584	1.3
157.10191	2.8
158.05809	6.2
163.11159	3.0
164.11974	1.8
165.12805	2.8
171.06499	16.0
175.11145	1.9
183.62309	1.3
185.08073	5.1
185.09657	1.4
185.40337	1.4
190.04788	1.8
192.11435	1.4
193.12271	3.1
199.09628	3.6
209.11639	3.1
213.11218	3.9
227.12779	10.7
239.23695	14.4
241.14308	2.2
242.15106	2.4
255.15884	14.1
266.30017	1.5
269.17514	4.0
283.15527	2.1
283.19122	2.8
293.46722	1.3
297.20526	1.9
306.05029	1.5
311.22168	10.3
313.27362	5.7
325.23599	2.5
339.25516	2.8
353.27179	1.7
354.27722	5.2
367.28467	25.9
381.30063	7.0
389.70334	1.6
395.31485	17.1
409.33228	4.6
423.34610	4.0
437.36282	2.4
438.37027	9.3
465.35718	1.7
493.38919	3.0
521.38507	2.6
539.39423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01872	37.1
55.05241	2.2
55.05508	30.4
57.03444	9.7
57.07074	78.7
63.17135	1.3
65.03931	3.0
67.05145	3.1
67.05503	62.4
69.03430	12.8
69.07066	28.2
70.75224	2.0
70.75568	3.1
71.04977	3.7
71.08628	46.3
73.02902	5.2
79.05013	1.7
79.05489	32.8
79.05924	2.8
80.06292	1.5
81.03403	9.9
81.07052	57.5
81.07536	2.8
82.04212	8.0
83.04974	21.8
83.08611	32.3
85.02901	3.8
85.06541	4.1
85.10176	25.4
89.06043	3.5
91.05476	27.3
93.07036	25.7
95.04958	18.2
95.08601	51.2
97.02864	7.1
97.06522	15.0
97.10166	13.9
98.07314	10.0
99.08084	2.8
99.11721	3.2
102.63279	1.2
105.07024	14.6
107.04961	6.5
107.08598	13.3
109.02847	1.7
109.06522	4.3
109.10151	23.4
111.04440	15.3
111.08090	6.6
111.11735	4.4
113.05988	3.1
115.03964	2.2
115.05424	2.0
117.07019	7.9
119.08575	9.5
121.06522	3.4
121.10146	8.5
123.08072	6.3
123.11683	8.4
125.09612	10.4
127.11214	4.8
129.05469	2.3
129.07028	4.0
131.08548	7.7
133.08594	2.1
133.10083	7.8
135.08063	3.3
135.11705	6.8
136.08769	2.0
137.09590	1.9
137.13260	4.1
145.10112	6.5
147.08025	2.3
147.11699	4.7
149.09613	3.2
151.14792	1.9
151.24222	1.3
157.10161	3.7
158.04642	1.4
158.05719	7.5
163.11197	6.9
164.11975	2.1
165.12807	2.2
171.06506	12.2
172.80687	1.3
173.09616	3.3
175.11226	2.1
181.04846	1.6
181.12248	4.2
183.11642	1.4
185.08157	4.4
190.04752	3.1
191.10713	5.5
193.12138	2.2
199.09677	2.5
207.13626	1.7
209.11716	50.1
210.12463	1.8
221.22823	2.3
227.12762	19.5
228.13321	1.7
239.23685	15.4
241.14349	1.9
242.15282	1.5
245.13847	3.0
255.15886	12.4
269.17532	3.9
283.15396	18.3
283.18726	1.8
297.20654	2.1
311.18832	2.9
311.22217	10.1
313.27365	15.5
316.34802	1.8
339.25320	2.2
341.26926	2.7
353.26920	3.0
354.27722	3.9
367.24637	1.0
367.28476	25.7
381.30017	5.4
395.31534	13.6
409.33069	4.7
423.34805	3.1
437.36142	1.9
438.37155	10.6
465.35693	3.0
498.27701	1.4
521.38348	12.8
539.39459	100.0
540.39362	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	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01866	8.5
55.05509	20.1
57.03431	8.0
57.07077	31.2
67.05504	40.1
67.36303	3.4
69.03421	4.8
69.07076	21.8
69.25225	32.6
71.08628	18.7
71.65794	3.4
77.15022	3.0
79.05126	3.7
79.05499	35.8
81.03416	7.4
81.07058	43.9
81.87105	3.3
83.04981	8.1
83.08608	16.2
85.02905	4.6
85.10170	10.2
91.05481	36.9
93.07037	26.8
93.37395	3.2
95.04939	5.8
95.08610	35.4
97.06541	6.3
97.10184	8.9
105.07038	24.5
107.08589	20.3
109.10136	14.3
111.04441	9.1
117.06993	14.1
119.08582	20.1
121.10121	9.9
123.08115	3.4
125.09587	3.7
129.06992	11.9
131.08580	12.7
133.10117	10.8
135.11671	15.6
141.06989	7.1
143.08600	17.0
145.10127	18.2
147.11656	9.4
155.08557	14.6
157.10115	12.0
159.11684	8.8
161.13197	6.2
163.11205	13.6
167.08559	3.7
169.10112	17.0
171.11661	13.2
173.13284	4.8
181.10139	7.8
183.11684	11.6
185.13191	5.9
193.10103	3.5
195.11700	12.3
197.13292	8.0
209.11615	8.4
209.13350	4.8
213.16075	3.7
221.13344	4.6
223.14697	4.9
227.12720	21.1
237.16371	4.1
239.23640	8.3
283.15393	13.1
309.22241	3.7
313.27411	31.1
315.23303	3.8
324.09293	3.5
447.32727	17.7
465.33511	8.6
483.34366	4.5
515.76929	3.6
521.38000	19.2
525.87823	3.8
539.37738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01860	3.1
55.05270	1.5
55.05507	13.4
56.88553	1.1
57.03430	3.2
57.07066	1.2
63.07428	0.9
65.03913	1.6
67.05502	24.2
69.07063	7.7
69.49487	6.6
69.49900	2.2
71.05016	1.2
71.20670	1.0
79.05492	22.8
81.03390	2.2
81.07047	20.8
83.04962	2.0
83.08607	4.4
85.06533	1.0
91.05473	22.3
91.06026	1.5
93.07040	20.9
95.04977	4.6
95.08596	15.7
97.06525	2.2
97.10161	2.7
98.20750	1.0
98.72216	0.9
105.07019	18.9
107.08588	8.9
109.06551	1.2
109.10143	5.8
111.08060	1.7
115.05457	1.4
117.07014	9.7
119.08577	14.2
121.10133	5.4
123.08075	1.7
125.09620	1.2
128.06198	3.5
129.07004	11.2
130.07887	1.5
131.08557	11.3
133.10146	7.7
135.11668	2.4
137.09598	1.1
141.06973	5.4
142.07797	2.9
143.08556	13.9
145.10107	11.4
147.07953	1.3
147.11688	6.9
153.07030	1.6
154.07776	2.7
155.08525	13.9
156.09317	2.0
157.10107	11.5
159.11662	6.5
161.13266	3.0
165.06990	1.7
166.07768	1.1
167.08560	6.5
168.09387	2.1
169.10106	15.6
171.11682	12.0
173.13272	4.6
179.08548	3.9
181.10129	11.6
183.11684	12.8
185.13252	6.5
189.12730	1.8
193.10155	3.1
195.11676	9.9
197.13246	9.0
199.13194	1.3
199.14842	3.8
207.11635	2.9
207.13844	2.8
209.13162	6.7
211.14850	5.7
213.16425	2.6
219.11632	1.6
221.13261	4.4
223.14830	3.5
225.16353	2.5
233.13194	2.2
235.14935	2.3
237.16397	3.0
239.18117	1.3
241.19516	1.4
247.14769	1.1
249.16302	1.3
251.14140	1.2
251.17949	1.4
259.20428	2.0
265.19678	1.2
271.20908	1.1
307.20612	1.6
309.22119	2.9
315.23215	2.5
321.22046	2.4
323.23785	2.5
335.23764	2.4
349.25327	2.3
351.23178	1.7
427.28775	1.2
429.31833	6.3
437.33881	1.1
447.32516	22.0
465.33765	10.6
467.87216	1.0
483.34772	5.8
485.33911	1.1
503.35318	2.0
521.36188	11.3
539.37262	100.0
540.37970	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	539.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.7
55.01872	5.7
55.05516	18.6
57.03440	4.5
57.07069	8.6
65.03944	5.3
67.05516	29.1
69.03429	23.8
69.07075	30.0
70.62428	3.8
71.04985	8.3
79.05492	28.6
81.03426	23.0
81.07055	91.6
83.04983	10.3
83.08626	13.1
85.02898	18.1
85.03401	3.6
85.06544	41.3
85.71487	4.2
91.05481	42.8
93.07043	48.7
95.04977	19.7
95.08607	57.7
97.02901	11.5
97.06534	20.4
97.10174	13.3
99.08089	7.9
103.05470	9.5
105.07037	28.1
106.65623	5.2
107.04990	12.1
107.08585	49.7
109.02879	16.6
109.06516	6.7
109.10161	45.3
111.04443	7.5
111.08101	13.1
117.07070	4.2
119.04962	28.1
119.08549	21.5
121.06532	9.6
121.10127	52.2
123.04462	9.9
123.08101	8.4
123.11729	28.3
125.06012	5.9
125.09634	11.5
127.03933	12.7
128.06277	4.7
129.07043	8.5
131.04945	7.7
131.08586	8.3
133.06519	6.2
133.10143	16.4
135.08044	11.7
135.11644	18.9
137.05975	29.6
137.09610	7.6
137.13246	7.1
139.03908	5.5
139.11165	7.0
141.17885	3.6
143.08586	5.9
143.10580	4.4
145.06485	8.2
145.10110	15.7
147.04411	37.3
147.08041	7.4
147.11697	8.8
149.06093	5.6
149.09631	11.8
149.13272	7.2
151.03891	9.0
151.07555	9.9
153.01813	6.2
153.12701	5.3
157.10167	6.0
158.97502	4.2
159.08075	5.5
159.11719	13.9
161.05988	14.1
161.09631	8.3
161.13213	8.0
163.03940	9.3
163.07532	7.9
163.11165	7.9
163.14751	7.6
165.09164	12.3
167.07042	65.2
167.10724	8.7
171.13814	5.8
173.09706	4.9
173.13287	6.3
175.03899	45.4
175.07567	9.8
175.15050	3.8
177.05406	9.6
177.09151	8.0
177.12823	4.5
179.07066	4.8
179.10696	6.1
181.04953	6.0
181.08665	8.9
181.12267	7.7
187.11285	4.7
187.14790	4.7
189.09164	6.0
191.07045	10.4
191.17967	8.5
193.08638	4.5
201.16382	7.4
207.06520	100.0
211.11327	4.0
219.06519	9.6
219.10287	5.6
219.17474	11.9
235.16908	5.9
237.18549	14.3
249.18611	4.6
283.09753	4.3
305.24744	16.9
323.25766	21.5
325.10611	8.7
341.17444	7.2
341.26862	12.4
345.20505	7.9
359.18341	6.8
359.28165	5.3
363.21640	19.2
369.11789	4.7
381.22781	48.3
399.23788	14.7
413.26660	4.6
431.27924	6.6
449.28937	5.0
539.28430	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	539.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
56.66608	3.5
57.03440	3.3
57.07069	3.6
67.05492	16.1
69.03421	12.2
69.07048	8.6
79.05494	18.9
80.08067	3.7
81.03427	5.3
81.07059	24.6
82.28998	3.9
85.02894	9.9
85.06535	23.1
91.05461	22.1
93.07050	23.1
95.04967	9.1
95.08611	20.5
97.02882	5.1
97.06512	8.4
103.05432	11.5
105.07035	19.1
106.70688	3.9
107.04924	16.7
107.08582	18.7
109.06516	5.1
109.10127	12.0
115.05450	4.6
117.07014	8.6
119.04906	11.2
119.08563	10.4
120.77432	3.5
121.06487	11.4
121.10114	13.9
122.03698	10.2
123.04423	7.7
123.11682	12.1
125.09664	4.8
127.03897	8.0
129.06990	11.3
131.04906	12.7
131.08577	7.8
133.06447	4.4
133.10100	8.4
135.08003	11.8
135.11690	8.3
137.05974	100.0
145.06425	7.6
146.03542	4.4
147.04349	13.4
147.08049	5.3
149.05884	7.0
149.09605	9.7
149.13249	7.5
151.03920	6.8
151.07533	45.8
153.01866	5.4
153.05446	8.8
153.09102	4.4
153.12738	5.9
157.06418	4.8
159.07976	5.0
159.11650	7.2
161.05983	46.1
161.09634	10.0
163.07524	15.9
165.07028	6.7
165.09116	12.6
167.07008	19.9
174.06798	4.6
175.03902	8.4
175.07541	27.7
177.05441	10.2
177.09111	7.1
181.04927	4.1
189.09044	25.1
191.07071	6.3
191.10577	4.8
194.07236	3.8
195.10097	22.2
207.06465	8.8
207.10202	21.4
218.07291	3.8
219.08043	7.4
219.10069	6.4
221.05949	5.5
225.09082	6.4
229.68459	4.3
234.06799	5.1
235.07466	6.9
237.09030	8.0
239.07010	3.9
249.08905	7.2
250.06140	4.1
253.08600	6.2
265.08551	14.6
270.08994	4.0
277.08539	6.7
279.10190	6.3
283.09799	5.1
285.11264	6.4
295.09695	4.3
297.11154	24.8
299.12695	4.4
305.24814	6.7
309.11044	8.3
311.12698	24.0
313.10550	5.1
315.12225	7.7
317.13907	4.3
323.12741	10.8
323.25885	8.2
327.12128	7.3
337.14481	23.6
341.13708	5.1
342.17834	6.3
349.14252	5.2
355.15424	32.1
367.15375	14.7
377.09601	5.3
449.28656	7.4
466.66180	4.0
539.15088	43.1
539.28668	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	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56071	4.1
55.01880	5.8
55.05510	7.5
57.07064	7.6
67.05494	18.3
69.03416	13.9
69.07069	12.9
70.85834	6.6
70.86164	8.4
71.04998	8.4
71.20318	4.3
79.05517	11.9
81.03415	5.7
81.07040	32.2
83.04966	5.8
85.02914	17.0
85.06538	23.0
91.05473	31.4
93.07066	25.1
93.70184	5.0
94.04190	5.3
95.04977	6.8
95.08595	20.8
96.11582	4.1
96.89616	4.2
97.02885	8.4
97.06559	4.1
99.04472	7.6
103.05429	7.9
104.42468	4.0
105.07050	21.6
107.04947	13.8
107.08584	18.7
109.02898	6.8
109.06505	7.7
109.10160	18.6
117.06995	12.1
119.04932	10.5
119.08578	12.5
121.06492	11.8
121.10151	25.4
122.03688	7.3
123.04431	9.4
123.08068	8.9
123.11727	9.7
125.09605	5.2
127.03902	10.8
129.07001	15.5
131.04858	7.3
131.08589	6.4
133.06505	6.8
133.10118	7.2
135.08076	6.6
135.11696	9.3
137.05974	100.0
139.11205	6.5
143.04942	5.0
145.02873	5.3
145.06485	10.8
145.10106	7.0
147.04396	9.4
147.08072	9.6
147.11688	6.6
149.05975	11.0
149.09555	6.2
149.13196	4.7
151.03860	7.7
151.07539	47.7
153.05510	8.1
157.06441	6.9
161.06020	55.4
161.09636	16.3
163.03984	5.7
163.07533	16.3
165.05585	4.7
165.06996	6.4
165.09117	9.0
167.07054	18.5
174.06812	6.5
175.03944	9.2
175.07544	33.4
175.11060	4.4
177.05473	10.6
177.09109	11.3
179.07085	5.9
181.12180	4.6
187.07501	6.7
187.27199	4.3
189.09056	30.5
193.08571	6.6
194.07309	6.0
195.08481	4.4
195.10086	21.9
197.09677	4.9
207.06467	11.1
207.08386	6.0
207.10191	17.9
211.07520	5.0
219.10205	6.4
221.05959	6.9
235.07481	6.4
235.13348	4.3
237.09088	7.6
249.09219	7.1
253.08565	8.9
255.06378	7.3
265.08627	15.9
266.88211	4.4
269.08267	5.1
270.08914	4.4
279.10266	5.6
283.09683	4.7
285.11246	10.7
291.10382	5.7
297.11325	23.7
299.12735	5.9
305.24646	8.8
309.11218	9.6
311.12790	16.4
313.10559	6.5
315.12302	6.6
323.12723	12.1
337.14243	19.8
342.17816	9.0
355.15262	22.0
367.15146	8.9
377.09900	11.2
435.17731	5.0
509.21320	4.5
539.15497	38.3
539.28558	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40245	0.5
67.05508	0.8
69.03418	1.1
69.07061	0.8
71.52664	0.7
79.05499	1.2
81.03418	0.5
81.07059	1.6
82.56956	0.4
83.04960	0.5
83.08649	0.6
85.06528	0.5
89.27221	0.5
91.05480	0.9
93.07057	1.3
95.04964	0.5
95.08604	1.4
97.02880	0.6
97.06535	0.5
97.38661	0.5
105.07001	1.2
107.04967	0.8
107.08584	1.4
109.10117	1.2
119.08561	0.7
120.79285	0.5
121.06487	0.8
121.10191	1.2
123.04487	0.6
123.11644	0.6
127.07444	0.4
131.04942	0.5
131.08542	0.6
133.10164	0.9
135.11653	0.5
137.05977	2.7
147.04457	0.7
147.11682	0.4
149.09608	1.5
151.03944	0.5
159.11746	0.6
167.07111	0.5
169.10077	0.5
175.03960	1.6
204.62296	0.4
207.06607	2.4
213.89207	0.4
305.07962	0.8
319.09448	0.9
326.43576	0.5
377.13593	38.7
378.14182	0.8
476.98566	0.5
539.18915	100.0
539.27667	7.4
540.19141	3.4
558.65619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.2
56.58046	1.7
57.03427	3.5
58.24426	1.6
59.04991	3.0
66.57234	1.6
67.05494	3.1
67.65770	1.5
69.03427	10.2
69.07073	3.2
69.22142	16.2
70.06575	8.7
73.02914	1.7
79.05490	17.8
81.03414	3.3
81.07048	20.0
83.04967	1.8
83.08605	2.1
85.02914	8.2
85.06535	1.7
87.04471	3.8
91.05476	5.1
93.07035	11.2
95.04952	2.1
95.08604	12.6
97.02907	6.1
97.06528	6.7
105.07032	6.5
107.04946	3.1
107.08591	55.1
109.06500	5.0
109.10172	3.0
115.03934	4.8
119.08543	5.0
121.06438	2.3
121.10137	20.0
123.04453	2.8
123.08074	2.8
125.09611	4.4
127.03932	2.5
127.07561	1.7
131.08588	2.5
133.04958	4.9
133.10103	3.6
135.11714	5.8
137.06017	2.0
138.09050	1.9
139.11142	1.6
145.10133	2.4
147.11702	1.8
149.13239	1.8
161.06053	4.5
161.13278	13.3
163.14818	7.3
166.08617	3.9
167.07011	2.5
172.03906	2.7
175.07516	1.8
175.14836	2.8
177.05525	4.4
179.14297	100.0
185.11989	2.0
189.09074	1.8
191.14326	11.3
193.15894	6.9
209.15388	25.8
341.14117	2.0
353.19598	1.9
438.34531	1.9
506.18997	3.3
538.17059	3.7
538.29388	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	538.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01867	1.5
57.03447	2.8
60.88923	1.2
61.02927	2.1
67.05515	1.9
69.03425	5.5
69.07054	1.3
69.42094	5.7
69.42522	5.8
70.06209	2.5
70.06588	47.4
71.04977	1.3
71.86163	1.2
74.06060	2.1
79.05477	4.9
81.03414	3.6
81.07041	1.7
85.02901	15.6
91.03922	1.2
91.05467	2.5
93.07040	5.2
94.06563	2.3
95.04925	2.8
95.07333	2.8
96.08129	6.6
97.02886	5.1
97.06524	1.9
100.11291	1.7
103.05482	1.3
103.31672	1.2
105.07011	4.8
107.04954	10.1
108.08098	5.8
109.02853	3.3
110.09665	10.7
115.05470	3.0
116.04967	2.4
117.06965	1.6
119.04919	2.4
120.04491	3.3
120.08112	7.9
121.06544	1.9
121.10169	3.8
122.03600	1.6
122.06033	2.4
123.04420	9.4
129.06995	2.5
130.04153	3.8
131.04916	3.8
133.06442	3.1
135.04457	2.7
136.05219	2.5
136.07568	4.0
137.05969	36.5
138.05418	2.4
138.09137	15.8
143.04919	3.9
144.04436	6.2
144.32635	1.3
145.04933	2.9
145.06488	1.7
146.03629	2.2
146.06000	1.8
147.04416	11.1
148.07587	3.1
149.05991	4.3
149.09525	1.5
152.07103	1.9
153.01817	5.8
157.06477	2.2
160.05165	4.3
161.04832	1.3
161.05968	8.6
162.03070	1.3
162.05516	1.7
162.06743	23.0
163.06216	1.4
163.07535	5.8
166.08635	29.5
167.07111	1.6
167.10645	2.0
170.97505	1.1
172.02496	1.1
172.03912	25.3
172.05281	2.4
175.07530	30.2
177.05490	17.7
178.09886	2.4
183.33910	1.5
185.11737	2.0
187.07483	9.0
189.05396	2.2
189.09048	3.4
190.04990	5.0
195.06499	1.5
195.08012	1.5
204.06544	35.8
205.06816	1.2
205.08548	7.6
207.95744	1.3
212.09474	2.1
217.08542	1.6
223.07457	3.0
225.10352	1.6
235.09740	6.4
236.09279	2.0
237.10393	6.0
239.11679	2.1
241.09802	1.5
245.08098	6.7
251.07030	3.8
251.11908	2.2
253.09837	2.0
257.08090	8.5
265.09711	6.8
267.11252	1.7
268.07343	3.0
271.09686	2.5
273.12399	1.8
278.06525	1.5
279.11069	4.0
283.09579	24.6
287.09216	2.9
291.10110	2.6
293.09213	5.1
294.09656	1.5
299.09152	13.8
299.12610	2.7
307.10965	1.9
311.09512	1.9
313.11807	4.7
323.12711	2.4
325.11795	5.8
341.13965	100.0
353.11313	6.4
357.14410	5.3
385.14090	3.9
460.18573	3.7
465.18417	1.6
478.19803	2.9
481.11172	2.9
488.17795	7.4
506.19205	14.5
520.20972	2.0
538.16193	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	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48423	0.5
51.60623	0.6
55.01860	0.8
61.31171	0.6
63.33546	0.6
67.05500	0.8
69.03432	1.4
70.06583	2.0
71.50994	0.8
77.97817	0.7
78.53921	0.6
79.05491	1.8
81.03400	1.9
81.60892	0.6
85.02903	3.7
91.05449	1.6
93.07026	1.7
94.99346	0.6
95.04957	2.0
95.08591	1.5
96.08150	0.6
97.02885	1.9
97.06516	1.3
102.04691	1.8
103.05463	1.8
105.07037	4.8
107.04955	10.3
107.08566	0.8
109.06579	0.7
110.09685	1.2
115.05487	1.0
117.07025	1.1
119.04963	1.7
119.08620	0.9
121.02859	1.0
121.06519	2.2
121.10126	0.9
123.04405	3.7
124.05190	0.9
127.03933	1.5
129.03358	1.3
130.04102	3.9
131.04922	1.9
133.06516	4.6
135.04405	2.3
136.05203	5.2
137.05968	12.6
138.09163	1.4
145.04939	0.7
146.03606	1.2
146.07321	0.7
147.04399	14.1
149.06009	0.7
151.07542	0.9
161.05981	12.9
162.03137	0.9
162.06754	34.8
163.03893	1.5
163.07536	4.1
165.05498	0.7
165.07018	0.8
166.08644	1.5
167.07111	1.1
167.08521	1.1
169.06491	1.1
172.04051	0.7
175.03918	0.7
175.07521	3.4
177.05479	10.5
177.06940	1.2
177.08983	1.5
178.09860	2.5
179.07047	1.9
185.05968	0.8
187.07516	1.5
195.08080	2.9
197.05975	0.9
202.09926	0.9
205.08626	0.8
211.07686	0.8
213.05580	0.9
223.07570	5.1
230.05659	1.3
239.07034	1.9
245.08081	8.0
250.06339	1.4
250.09013	0.7
251.06984	6.9
255.10117	0.7
257.08081	15.8
267.06494	1.0
268.07288	3.6
271.09610	1.6
281.08136	2.0
283.09628	35.3
287.09100	2.2
294.86487	0.6
299.05853	1.3
299.09198	19.4
299.12698	2.2
323.12839	1.1
341.13831	100.0
342.14349	1.2
353.11337	0.7
363.61862	0.8
369.74692	0.7
506.19107	1.8
520.20966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03413	2.5
61.02903	1.8
61.86287	1.5
65.03929	1.6
67.05489	2.6
67.80831	1.5
69.03416	6.4
69.22514	14.8
70.06577	6.5
71.04988	8.7
79.05483	2.7
81.03415	3.7
81.07045	3.4
83.04970	2.8
85.02909	10.5
91.05488	3.1
93.07024	5.1
95.04957	12.7
95.08594	2.3
97.02882	4.3
99.04449	34.6
99.47186	1.4
100.62540	1.5
105.07043	3.0
107.04949	54.5
107.08573	3.4
109.02861	3.3
109.06533	1.8
109.10129	3.3
115.03911	2.4
119.08588	1.7
121.06492	8.5
121.10147	3.0
123.11658	3.0
124.03961	1.5
127.03920	2.9
129.06987	2.2
133.06488	3.0
133.10101	3.2
135.04404	2.9
137.05981	25.7
140.07025	1.5
144.05666	1.8
147.04440	2.6
149.05966	2.1
149.09543	1.8
150.28186	1.5
151.11179	2.9
153.01756	2.0
153.09097	2.6
159.08037	5.0
160.08839	4.3
161.05992	16.7
161.09654	2.0
162.06743	3.4
163.07446	2.3
167.14270	3.2
172.03984	1.6
173.09589	1.5
177.05501	13.4
177.09084	2.6
179.14343	3.9
181.08632	1.5
189.12892	1.4
190.37662	1.5
193.08517	1.7
209.15349	12.5
215.10616	2.5
217.08565	1.9
221.08115	2.9
227.16360	1.5
229.08615	2.4
233.11638	3.1
240.23003	1.4
241.08589	10.1
245.08066	3.5
265.08630	1.9
281.11584	1.8
295.13324	1.5
323.12750	6.4
341.13821	100.0
342.14258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
54.64570	2.5
55.05510	3.5
59.04995	76.9
67.05505	21.8
69.03411	15.9
69.07047	11.7
70.55470	4.7
70.55810	6.0
71.05013	2.9
73.01123	2.9
73.99757	2.8
74.28746	2.6
79.05480	10.9
81.03410	2.7
81.07041	12.0
85.02882	3.1
87.04468	3.6
91.05482	5.6
93.07039	12.4
95.04969	10.7
95.08601	62.5
97.06526	21.8
97.38454	2.9
105.07031	11.2
107.04961	8.5
107.08578	7.1
109.02874	57.3
109.10152	65.9
119.04925	3.4
119.08580	28.0
121.10148	31.9
123.08060	92.3
125.06017	7.6
127.03951	3.0
130.54791	2.5
131.04918	2.7
135.08054	3.1
137.09605	52.6
139.11200	7.3
141.09105	21.4
147.08020	12.7
165.09102	44.4
167.07069	2.8
173.06078	2.8
175.03809	3.1
177.05450	12.2
183.10144	100.0
201.05489	8.4
201.11234	9.1
225.05556	4.5
243.06482	5.5
267.06473	11.9
285.13513	3.7
297.79199	2.6
327.14603	4.3
338.95206	3.0
345.15439	4.4
363.70456	2.4
538.27484	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
59.98575	0.8
63.32058	0.7
65.03922	1.5
67.05489	0.8
69.07042	0.8
70.06578	1.2
79.05474	2.9
80.05002	1.2
81.03366	1.1
81.05782	0.9
81.07035	0.9
82.06551	2.3
85.02354	0.7
85.02892	1.6
88.12776	0.8
91.05466	3.1
92.04997	1.3
93.07040	8.4
94.06565	10.4
95.04946	1.3
95.07340	9.1
95.08602	0.8
96.08125	18.8
97.06538	1.6
98.20695	1.1
103.05458	2.5
106.06511	1.0
107.04948	1.1
108.08120	15.3
110.09676	36.2
116.04993	3.7
117.36714	0.8
118.06528	1.1
120.04455	6.9
120.08102	22.7
121.06515	1.4
122.06003	4.4
123.04423	0.8
123.06801	1.3
124.07581	7.3
124.08392	1.1
134.06017	2.2
136.07570	8.4
137.05966	5.1
138.05510	5.3
138.09131	47.3
144.04428	8.3
146.06000	7.0
147.04428	1.8
148.03909	0.9
148.07549	6.1
150.05475	2.0
152.07065	2.4
154.08607	0.9
160.03963	1.7
160.05202	0.9
161.05916	1.1
162.05482	4.3
162.06766	2.7
164.07053	1.9
166.05003	6.5
166.08632	100.0
172.03925	35.5
172.05414	1.0
174.05476	1.2
175.07521	4.3
177.05386	1.0
178.04951	1.1
187.07556	1.9
190.04979	17.0
194.08331	1.0
196.09920	1.5
197.10773	1.5
198.11560	1.2
204.06543	14.7
205.08661	2.2
209.10741	2.2
210.11435	1.2
211.08638	1.4
212.09464	2.3
213.10216	1.1
216.06560	1.1
218.04297	1.3
222.07658	1.3
222.11394	1.8
223.08679	2.1
223.12288	1.1
224.09378	4.0
225.10199	6.2
226.10814	0.8
227.11751	2.7
235.08875	1.7
235.12158	1.0
236.09364	4.0
237.10204	16.0
237.12474	1.2
238.10934	3.3
239.08125	2.5
239.11761	4.1
241.09770	3.1
245.12839	1.4
249.10265	1.9
250.07336	1.9
250.11031	1.7
251.08136	2.4
251.11786	10.6
252.08943	2.6
252.12491	1.1
253.09746	7.7
253.13440	1.3
255.11250	2.6
257.08047	0.9
263.11761	1.9
264.08939	2.9
265.09714	22.7
266.10321	4.2
267.11273	4.9
268.08203	0.9
269.12973	1.4
271.10745	3.8
273.12296	7.0
278.06528	8.9
279.11276	10.7
280.08466	2.0
280.11963	1.5
281.09177	2.6
281.12906	2.8
283.10745	7.1
285.12375	2.6
289.09775	1.5
292.08093	1.7
293.09174	23.9
294.10043	4.3
295.10989	1.9
296.11630	1.3
297.12344	6.5
299.10187	3.9
300.11142	1.6
307.10812	6.3
309.12308	5.2
311.10205	3.5
312.11050	4.4
313.11789	6.1
323.10001	1.6
325.11832	23.4
335.10168	8.8
340.10352	3.9
341.10876	27.1
343.12909	2.1
353.11316	28.9
357.14395	2.5
373.13904	5.0
385.13965	5.4
400.16672	1.3
418.17389	1.9
436.18637	1.2
460.18750	6.1
462.19562	1.1
464.18216	1.6
465.18918	10.7
478.19778	8.8
488.18188	13.7
506.19205	63.4
507.19263	1.8
520.20734	1.6
538.21606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84418	4.8
55.05493	12.5
57.03416	9.5
57.07071	36.6
62.47311	5.1
67.05501	49.6
69.07049	8.9
69.25931	5.8
71.08619	21.1
71.09747	5.8
71.51660	10.2
79.05489	69.0
81.07046	44.0
82.48335	6.6
82.65794	5.0
83.04971	10.9
83.08645	13.6
85.10168	16.9
91.05482	51.3
93.07051	52.1
95.04971	13.0
95.08604	27.8
104.37592	5.0
105.07035	33.6
107.08616	7.8
108.88229	5.6
109.10136	6.1
117.07011	12.3
119.08569	15.5
123.08018	9.4
129.07011	14.0
133.10182	7.3
145.10146	7.9
147.11682	38.7
161.13258	14.1
171.11688	24.3
189.12816	6.6
207.13792	35.2
222.89919	6.0
240.90900	19.1
280.64267	6.2
281.17548	58.0
281.29590	7.5
281.91110	15.7
282.27838	38.0
299.30563	7.5
313.27338	73.2
322.91409	8.7
360.83920	15.7
378.84576	8.3
478.86307	12.7
519.40479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.2
53.03936	0.4
54.03461	0.9
55.01872	0.6
55.04262	0.4
58.06601	0.7
63.95700	0.2
68.99784	2.1
69.03424	0.4
69.58568	1.4
70.06590	100.0
71.01350	0.3
71.06927	0.9
71.34222	0.2
77.03925	0.5
79.01820	0.4
79.05491	0.9
80.84349	0.2
81.03416	0.6
81.07058	0.9
85.02895	0.3
91.05468	1.1
93.07030	1.4
95.04959	0.5
97.02882	0.3
98.20788	0.2
98.21336	0.6
103.05452	1.5
105.04528	0.3
105.07030	1.0
107.01363	0.2
107.04939	1.8
109.02944	0.3
119.04970	0.9
121.06504	2.9
123.04422	7.7
131.04932	0.9
132.76872	0.2
133.06508	0.8
135.04419	2.8
137.02339	0.8
137.05965	0.7
138.09164	0.5
143.03401	0.7
147.04395	4.1
149.05977	6.6
149.07133	0.4
151.04021	0.3
153.00575	0.5
153.01826	10.2
153.02838	0.5
159.04410	1.4
161.05986	2.7
163.03938	0.5
165.05495	2.5
166.08673	0.7
173.06030	0.3
175.07558	1.3
177.05463	69.0
178.05861	1.1
188.07129	0.3
189.05458	4.5
192.88478	0.2
207.06575	0.8
216.10263	0.3
234.11238	3.2
239.84195	0.2
247.95311	0.2
293.08075	0.4
303.05069	0.5
311.09140	4.0
319.04514	0.3
325.11710	0.2
327.05304	0.4
329.10193	3.0
344.07516	0.9
353.11069	0.3
362.08670	0.4
368.14941	0.6
382.23163	0.3
481.11285	7.1
538.17072	38.6
539.17297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01861	3.4
55.05508	17.7
57.03435	5.6
57.07073	38.0
65.03945	1.4
67.05501	26.0
69.03426	2.6
69.07069	9.8
69.38384	6.6
71.04987	4.0
71.08628	27.2
79.05489	15.8
79.64220	0.8
79.81453	0.8
81.03416	35.8
81.07053	35.4
83.04985	6.9
83.08615	23.9
85.02902	20.1
85.06525	1.0
85.10175	14.6
88.35027	0.8
89.01588	0.7
91.05470	19.9
93.07043	11.9
95.04964	14.4
95.08604	29.4
96.08987	0.7
97.02869	1.9
97.06537	2.9
97.10163	10.1
98.21524	1.8
99.08061	1.6
99.11772	1.2
105.07014	12.8
107.04942	3.4
107.08575	5.4
108.86485	0.6
109.06519	3.2
109.10147	14.0
109.10851	1.3
110.28475	0.8
111.04440	2.7
111.08076	7.6
111.11720	2.5
113.06024	1.8
115.05463	1.7
117.07001	1.9
119.08573	11.5
119.27059	0.8
121.06522	1.1
121.10151	7.5
123.08065	2.0
123.11701	6.7
125.05939	0.8
125.09622	1.3
125.13228	1.3
128.06245	0.9
129.06982	7.6
129.36116	0.7
131.04935	1.5
131.08575	6.9
133.06488	1.6
133.10112	6.9
135.11650	1.2
137.09639	1.1
137.13190	1.5
142.07803	2.9
143.08585	1.4
145.10159	2.5
147.08026	2.3
147.11691	9.6
149.09619	3.4
151.14832	0.9
157.10118	8.1
159.11620	0.9
165.12762	1.9
165.16351	1.0
175.11176	10.8
179.03369	1.1
181.04918	8.2
193.05016	2.7
193.12231	48.8
194.12653	1.0
197.04491	0.9
211.13280	53.6
229.14426	1.0
249.15010	0.9
253.25224	6.0
267.15933	5.4
285.17004	1.4
300.06503	1.3
301.06729	1.2
302.07065	0.8
316.09164	1.7
317.09238	1.2
327.28922	5.3
352.80167	0.8
463.66635	0.8
466.52478	1.0
519.40186	2.2
537.06427	1.1
537.41541	100.0
538.41687	3.0
550.65759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.1
55.05510	38.1
57.03423	22.2
57.07076	68.1
67.05180	9.2
67.05503	90.2
69.07050	26.5
69.31362	47.3
71.08616	38.5
79.05494	87.7
81.03413	7.2
81.07053	67.2
83.04987	15.4
83.08611	18.4
85.06540	6.1
85.10177	18.9
91.05472	86.6
93.07045	92.2
93.07584	10.2
95.04972	34.2
95.08609	58.7
97.06494	9.3
97.10134	12.9
105.04498	6.1
105.07020	58.8
107.04958	6.5
107.08578	29.0
109.06533	6.2
109.10133	20.9
117.07014	15.2
119.08607	31.5
121.10147	9.1
123.11687	6.3
129.06987	16.7
131.08548	6.6
133.10139	10.3
135.08163	5.1
135.11659	7.4
143.08563	15.3
145.10059	13.7
147.11674	45.0
161.13187	9.3
171.11676	42.8
189.12784	8.0
207.13785	35.7
250.62338	5.8
281.17529	50.1
313.27353	59.0
393.21411	6.4
425.72195	6.1
519.40485	100.0
547.86865	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	537.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.9
53.03930	8.4
55.05509	29.2
57.03420	16.4
57.07073	63.0
59.30127	3.7
65.03922	5.8
67.05503	75.6
69.07050	22.4
69.33305	38.6
71.08626	33.8
79.05487	100.0
81.03398	10.3
81.07043	57.1
83.04972	21.9
83.08600	17.7
85.10169	21.6
90.68525	3.6
91.05478	74.7
93.07039	87.7
94.07397	4.2
95.04974	20.3
95.08610	57.3
97.06495	4.7
97.10190	8.9
105.07030	60.0
107.04951	10.5
107.08618	22.3
109.06506	8.2
109.10136	14.4
117.06982	10.1
119.08575	28.7
121.10058	4.4
123.08026	7.7
129.07005	19.1
131.08546	4.2
133.10120	16.2
143.08548	15.6
145.10133	11.3
147.11658	39.6
161.13246	14.9
163.33743	4.5
171.11676	37.7
189.12720	14.9
207.13797	43.7
239.23656	7.4
281.17511	68.0
313.27341	77.2
405.41580	4.8
519.33282	6.9
519.40448	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93901	2.6
53.03939	2.6
55.05272	2.4
55.05512	22.9
57.03433	14.9
57.06804	2.5
57.07076	41.1
60.25675	2.1
65.03911	4.1
67.05505	51.0
68.83620	2.6
69.07084	17.0
69.71817	17.2
71.08623	26.8
79.05492	58.4
80.23338	2.3
81.03429	7.7
81.07056	47.7
83.04973	11.6
83.08613	14.3
85.10175	10.0
88.46979	2.8
91.05470	43.3
93.07043	55.7
95.04951	21.8
95.08607	38.7
97.06497	2.7
97.10171	8.7
98.21477	4.5
102.34480	2.8
105.07034	34.5
107.04960	4.4
107.08581	13.2
109.06524	3.3
109.10159	14.2
111.08051	4.1
116.28909	2.3
117.07043	7.3
119.08585	20.4
121.06553	2.6
123.08089	4.7
123.11664	3.1
128.06235	3.1
129.07025	12.6
133.10118	10.1
141.09177	2.5
143.08571	5.7
145.10130	6.1
147.08054	3.9
147.11664	32.0
161.09601	4.8
161.13307	8.1
169.10034	2.4
171.11664	19.5
189.12750	8.1
207.13773	22.3
225.14799	2.8
239.23869	3.8
281.17480	67.6
313.27350	67.4
330.05298	2.6
364.87418	2.6
389.18002	2.6
519.40442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	6.2
53.00507	1.1
53.03931	4.2
55.01860	3.5
55.05511	24.6
57.03445	2.2
57.07075	45.0
59.04980	2.4
65.03945	1.6
67.05505	33.1
69.03419	3.1
69.07069	13.6
69.18272	7.6
69.18694	3.0
71.01353	2.7
71.05000	1.6
71.08629	34.9
73.02894	2.0
75.91792	0.9
79.05498	14.9
81.03417	6.2
81.07053	39.4
83.04971	4.2
83.08617	26.8
83.09115	1.0
85.06521	2.5
85.10178	17.6
91.05466	25.2
93.07042	18.0
95.04965	6.2
95.08605	37.9
97.02906	5.6
97.06519	4.7
97.10168	7.7
98.60323	1.0
99.00815	17.6
99.04407	1.5
103.05441	2.5
105.03406	1.3
105.07027	20.9
107.04955	7.7
107.08611	8.7
109.02878	11.3
109.06519	3.3
109.10153	20.7
111.04434	1.5
111.08083	5.4
111.11682	3.0
115.03916	1.5
117.07006	3.8
119.04942	1.1
119.08588	9.9
121.06499	7.7
123.04414	2.7
123.08038	1.5
123.11713	8.1
125.09612	1.4
125.13241	1.8
127.03899	4.4
128.06216	3.3
129.07037	1.8
131.04897	2.7
131.08545	1.6
133.06482	2.1
133.10129	37.3
135.08032	2.4
135.11703	2.0
137.05983	1.8
137.13266	2.3
139.07529	2.2
141.05531	1.4
143.08539	6.1
145.10146	1.2
147.08025	2.0
151.11163	11.1
151.14807	2.1
161.09601	19.1
163.03922	1.1
171.08076	4.3
171.34459	1.0
179.03363	1.5
179.10658	11.0
181.04958	8.4
189.09105	12.5
193.04991	4.6
193.12238	1.2
197.11720	4.1
207.10156	7.4
209.08119	1.6
211.06003	1.2
225.11177	20.5
239.23674	12.0
243.12349	3.8
281.13751	5.0
297.11087	2.6
363.07559	1.1
448.60406	1.6
537.06195	1.7
537.37817	100.0
538.38007	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	536.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.9
57.03421	6.7
57.07062	6.1
59.05001	3.8
65.03915	4.6
66.78183	3.4
67.05499	33.7
69.03426	18.8
69.07065	31.9
69.94473	13.8
69.94891	4.4
71.04982	15.6
73.02856	3.1
77.36835	3.1
79.05493	19.8
81.03399	14.6
81.07050	63.0
83.08618	9.4
85.02916	18.2
85.06546	9.3
91.05407	17.5
93.07038	48.5
94.07388	4.0
95.04961	29.1
95.08603	56.6
97.02892	9.2
97.06498	10.1
97.10150	15.5
99.04446	9.3
99.08089	5.4
103.05463	7.4
105.07020	30.2
107.04949	5.1
107.08600	33.7
109.02889	8.4
109.06525	9.3
109.10152	80.1
109.10853	6.3
111.08087	7.3
111.11729	8.1
113.06010	3.8
116.10706	5.8
117.07034	4.5
119.04939	12.0
119.08565	31.7
121.06506	20.7
121.10133	50.2
122.06008	3.9
123.08061	10.1
123.11707	29.8
125.09615	7.8
127.03918	11.4
129.06912	4.1
131.04900	6.2
131.08574	10.6
133.06528	3.5
133.10124	17.3
135.04482	4.0
135.08043	10.4
135.11726	19.3
137.05963	20.9
137.09628	10.9
137.13274	6.9
139.03839	4.5
139.11163	11.0
140.07082	6.9
143.08556	5.7
145.10129	15.3
147.04410	15.9
147.07990	4.8
147.11678	17.9
149.05936	5.3
149.09587	7.8
149.13228	8.3
151.11258	6.7
153.12775	7.2
157.10127	6.8
159.11688	13.9
161.09641	4.8
161.13252	12.0
163.07570	7.3
163.11185	10.5
165.12709	8.0
167.05550	10.1
167.07010	6.1
169.10197	4.0
171.11670	5.4
173.13237	9.2
175.03891	5.3
175.11118	4.5
175.14790	16.4
179.07071	11.4
179.10719	5.1
181.12253	6.7
183.11673	3.8
185.13052	3.5
187.14798	8.1
188.54926	4.1
189.16339	4.3
193.15895	8.0
199.07593	4.1
199.14847	3.3
201.16391	8.6
207.06506	8.2
220.17854	4.7
227.77223	4.2
257.22617	7.5
259.09555	4.2
275.23712	21.5
285.22113	10.8
293.24722	19.8
299.06165	18.3
300.06375	3.9
303.23163	97.2
321.24216	100.0
322.24539	3.7
325.11237	3.3
339.25272	15.1
357.16934	10.7
375.21469	4.8
447.27115	8.0
465.28534	14.0
537.26251	7.8
559.90173	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	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.4
57.03435	0.4
58.06623	0.4
60.08162	5.8
65.03933	0.4
67.05479	1.1
71.07372	3.1
71.51648	0.6
73.04742	0.3
76.11838	0.3
79.05462	0.7
81.07043	1.3
85.02930	0.4
86.09705	29.5
91.05442	0.3
91.05824	0.4
93.07041	0.7
95.08586	0.5
95.73758	0.3
98.98460	2.6
104.10757	3.4
105.07029	0.6
107.08586	0.7
109.10147	0.4
117.10220	0.3
119.08570	0.7
120.08895	0.5
121.10140	0.4
125.00001	20.0
129.06836	0.3
131.08521	0.5
145.83847	0.3
149.09557	0.3
149.13275	0.3
153.37965	0.4
164.44797	0.3
164.94267	0.4
167.05553	0.6
184.07336	100.0
185.07721	0.6
211.08765	0.3
224.83310	0.4
299.06024	1.1
337.73065	0.3
344.97736	0.3
423.47989	0.3
424.41824	0.3
500.31149	0.6
518.25629	0.5
518.32556	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	536.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03940	0.8
53.81800	0.3
54.85302	0.3
55.01863	0.9
55.05496	0.3
57.03420	1.6
61.02919	2.2
65.03932	0.6
67.02764	0.3
69.03426	4.1
69.80991	1.6
70.94586	0.3
71.04993	0.4
73.02913	0.6
78.04690	0.4
78.76410	0.3
79.05479	0.8
81.03416	2.3
81.07041	0.8
85.02899	14.6
87.04451	0.3
91.03959	0.5
91.05474	6.7
93.07050	0.4
94.04178	0.7
95.04972	0.8
97.02882	4.3
97.06516	0.4
99.04450	0.7
99.08086	0.8
101.13606	0.4
103.05462	16.5
105.03395	0.4
105.07009	0.7
107.04943	0.7
109.02882	1.2
109.06526	0.6
117.07001	0.7
119.04935	45.5
120.05264	0.4
121.06496	100.0
122.03655	1.7
122.06831	1.1
123.04410	0.4
127.03896	2.0
128.06242	0.4
129.07022	0.7
131.04924	23.9
133.06462	0.4
135.04425	0.8
135.08049	3.9
137.05971	54.0
138.03101	1.1
138.06329	0.4
145.04955	2.3
145.06456	0.7
147.04401	59.9
147.08046	1.3
148.04773	0.5
150.06766	0.4
151.07494	2.1
153.05461	8.0
154.23788	0.3
157.06470	0.9
158.34946	0.3
161.06084	0.7
161.09647	0.9
163.07535	22.0
164.04614	0.7
167.07036	6.4
171.08061	0.5
173.05942	0.8
173.09645	0.4
175.07515	0.5
177.05461	1.2
177.09160	0.9
179.07021	75.5
180.07347	0.7
180.08682	0.5
183.08051	0.9
189.09084	5.4
191.06993	0.7
191.10654	2.5
195.10165	0.9
196.05238	2.3
197.05902	0.6
199.07567	0.4
199.11177	1.4
205.08636	1.8
207.10138	7.0
212.04727	1.2
213.05424	1.6
215.10603	1.8
217.12161	0.7
223.09642	54.8
224.10019	0.8
227.07018	4.6
235.07434	0.6
241.08585	0.4
244.07327	1.0
259.09653	21.2
260.10074	0.4
265.08615	0.5
267.10165	0.5
271.09573	0.5
275.10666	0.5
283.09531	0.4
297.10980	0.3
307.13177	1.4
325.14331	1.2
339.15906	7.9
357.16931	54.5
358.17331	1.6
395.20624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.3
55.05497	39.7
57.03415	20.2
57.07063	41.4
60.48983	10.3
67.05504	71.3
67.84030	10.4
69.07050	52.4
70.83904	30.5
71.08627	18.0
79.05491	59.5
81.03420	14.7
81.07032	100.0
83.04971	12.5
83.08606	23.5
84.61680	10.9
85.10144	12.0
91.05466	46.0
93.07042	64.3
95.04923	13.4
95.08591	49.6
97.06522	12.3
97.10147	17.8
105.07021	37.5
107.08578	18.7
109.10146	38.7
111.08041	11.1
111.13215	14.4
119.08617	16.7
121.10139	23.0
129.07008	14.1
133.10139	18.3
135.11665	17.6
145.10098	14.0
147.11694	19.4
149.13277	13.5
171.11604	21.1
187.14915	13.9
193.15471	11.4
207.13814	35.7
281.17438	46.8
299.06033	18.3
300.06396	20.4
311.25693	70.1
517.38898	89.5
535.40643	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	535.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01866	4.1
55.05510	26.7
56.25061	1.5
57.03427	4.7
57.07071	46.7
60.19682	1.1
65.03925	3.6
67.05502	46.7
69.03428	2.2
69.07066	16.9
69.48814	5.0
69.49242	5.6
71.04978	2.5
71.08631	37.1
79.05491	30.8
81.03419	10.2
81.07053	50.3
83.04976	4.4
83.08616	17.0
85.06551	1.4
85.10175	19.8
85.88875	1.2
91.05475	17.8
91.16339	1.1
93.07036	20.5
95.04964	27.6
95.08607	40.3
97.06508	2.0
97.10158	12.5
99.08107	1.4
99.11732	1.4
103.05491	1.8
105.04534	1.3
105.07044	9.7
107.04958	17.5
107.08580	9.8
109.06486	3.5
109.10151	20.7
111.11694	1.4
117.07008	10.5
117.17907	1.2
119.08545	3.8
121.06514	6.9
121.10139	3.8
123.04384	1.5
123.08054	1.3
123.11708	5.2
125.09638	3.1
129.07016	1.8
131.08604	8.0
133.10109	5.1
135.08049	1.6
135.11696	3.9
137.13297	2.0
141.06975	1.8
144.09433	1.6
144.53409	1.3
145.06517	2.0
145.10121	2.9
147.11769	2.3
149.09683	1.7
149.13312	1.7
151.14781	1.8
159.11678	8.7
161.09599	2.4
169.10167	2.1
176.31659	1.3
177.12747	4.4
181.05006	1.5
187.11192	4.7
193.12285	1.9
195.59325	1.2
203.10451	1.1
205.12244	9.0
207.13826	1.2
217.95467	1.4
223.13284	72.2
239.23695	9.0
279.15939	7.1
299.05743	2.5
300.06329	6.9
313.27319	6.3
315.08612	13.8
316.08981	1.7
380.36551	1.3
442.45645	1.2
443.35504	1.8
517.39185	2.8
535.39886	100.0
536.40582	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	535.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.8
53.03930	4.8
54.18838	1.4
55.01867	2.5
55.05506	32.9
57.03440	7.5
57.03670	1.7
57.07072	7.3
62.33234	1.4
65.03938	3.3
67.05500	52.9
68.05849	1.3
69.03415	2.9
69.07063	38.6
70.97350	2.7
71.04973	6.0
71.08627	3.6
72.85662	1.4
77.74782	1.4
79.05486	30.2
81.02931	2.5
81.03410	42.8
81.07049	51.6
81.07535	2.4
83.04975	9.4
83.08615	37.0
85.02899	22.9
85.06530	1.8
85.10189	2.1
91.05472	26.3
93.06491	2.3
93.07038	31.1
95.04965	21.7
95.08602	39.0
97.06499	3.1
97.10158	12.9
103.05489	1.9
105.03429	2.3
105.07019	20.1
107.04942	5.3
107.08590	17.2
109.06503	2.6
109.10151	15.1
111.04478	2.1
111.08081	9.4
111.11726	3.9
112.43131	1.3
113.06001	1.5
117.06995	2.8
119.08569	14.7
121.10126	23.6
123.08022	2.1
123.11697	6.7
126.22566	1.4
129.06960	7.5
131.08565	5.3
133.06442	2.4
133.10117	8.6
135.11679	9.4
137.13263	4.0
143.08493	1.6
145.10092	2.0
147.08018	2.2
147.11687	12.4
149.09636	3.6
149.13268	4.6
153.12717	1.5
157.10095	10.8
158.05157	1.3
161.13194	2.3
165.12772	3.2
171.11652	2.7
171.99481	1.4
175.11198	8.6
177.16370	1.8
181.04907	7.5
193.04974	2.9
193.10466	2.2
193.12231	47.1
211.13275	49.4
211.15306	2.6
230.31461	1.5
233.22589	2.6
251.23744	9.2
267.15936	5.0
281.17557	3.1
299.05835	3.0
300.06305	6.7
311.25790	4.6
315.08575	14.0
317.70285	1.3
325.27390	4.3
443.34998	1.6
517.25787	1.7
517.38867	10.3
535.39911	100.0
536.40015	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	535.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01845	3.7
55.05508	34.5
57.03434	9.2
57.07069	9.3
60.73544	1.1
65.03934	2.5
67.05502	55.9
69.03410	3.6
69.07068	38.3
69.87280	3.2
69.87669	2.9
70.65792	1.1
71.01297	1.1
71.04995	5.7
71.08612	3.4
79.05490	34.0
81.02938	2.5
81.03414	49.7
81.07053	53.3
83.04977	10.6
83.08620	36.2
85.02908	23.5
85.06525	2.7
85.10145	2.3
88.07596	1.7
88.86520	1.4
91.05468	26.1
93.06493	2.0
93.07038	33.4
95.04965	24.6
95.08604	37.3
97.02901	2.1
97.06498	4.5
97.10165	15.9
97.44859	1.3
98.20833	2.2
99.08074	1.8
103.05462	3.3
105.03374	1.6
105.06393	1.9
105.07030	20.8
107.04923	6.9
107.08578	13.2
109.06503	3.5
109.10149	16.7
111.04401	2.8
111.08090	12.7
111.11698	5.9
113.05975	3.3
115.05434	2.4
117.06985	2.9
119.08575	13.5
121.09349	1.6
121.10142	23.8
123.08038	3.0
123.11687	6.6
125.06129	1.3
125.09557	3.3
129.07005	7.2
131.04942	9.0
131.08557	9.9
133.10097	7.8
135.04411	2.0
135.11687	11.9
137.13242	2.3
142.07707	1.9
143.08470	1.3
145.10144	1.8
147.08035	2.6
147.11681	8.9
149.09587	4.4
149.13249	6.3
151.14806	1.6
153.12694	1.8
157.10132	11.7
159.11710	1.7
163.14748	1.8
164.70837	1.1
165.12729	2.1
175.11192	12.0
181.04967	8.9
187.36018	1.2
193.04984	11.1
193.10457	2.5
193.12231	49.8
194.12648	2.1
203.14362	1.3
204.14677	1.4
211.13280	54.2
219.17439	5.9
220.17738	3.7
233.22678	2.2
249.14827	2.1
251.23630	7.9
252.63930	1.2
256.06967	1.3
256.26367	2.8
257.26624	2.7
267.15866	4.8
269.04468	2.4
284.06757	3.2
297.10986	2.4
299.06140	1.9
312.06210	3.4
313.07089	2.6
314.43005	1.4
315.08380	2.9
325.27322	4.8
327.08612	29.8
328.08957	2.7
347.31754	1.3
367.78146	1.4
443.34915	1.4
458.88708	1.3
517.26068	7.2
517.38617	4.3
535.26563	10.3
535.39697	100.0
536.39862	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	535.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05501	8.9
57.03427	7.0
59.04993	3.9
67.05486	9.8
69.03425	21.5
69.07062	9.6
71.05011	4.8
71.51167	5.9
73.02922	2.6
74.45159	2.5
75.56664	2.5
79.05497	28.8
81.03405	17.5
81.07066	17.9
83.04984	6.0
85.02915	25.8
91.05477	25.7
93.07043	77.4
95.04974	14.6
95.08615	18.1
97.02874	7.2
97.06516	4.8
97.10143	4.2
97.81602	2.7
98.98804	3.1
103.05456	8.6
105.07025	36.3
107.04951	7.1
107.08596	32.3
109.02862	6.0
109.06519	13.9
109.10160	11.3
111.08086	7.9
112.48465	2.5
113.14116	3.5
115.05505	3.3
118.84563	3.0
119.04908	6.6
119.08562	19.6
121.06559	14.9
121.10146	100.0
123.04403	4.8
123.08070	15.0
123.11693	12.9
125.06007	4.3
125.09654	4.4
127.03912	12.7
129.06970	3.2
131.04938	6.4
131.08572	12.8
133.06480	32.4
133.10126	10.5
135.04398	4.5
135.08104	3.8
135.11671	5.7
137.05963	11.1
137.09613	33.5
139.11192	7.7
143.08646	3.8
145.02786	3.7
145.06448	3.9
145.10129	8.1
147.04399	5.5
147.07983	4.3
147.11670	6.6
149.09628	94.2
151.07532	3.0
151.11197	4.6
159.11667	4.3
161.13287	5.6
163.03920	11.9
163.11166	5.6
165.12708	5.8
167.07057	6.4
167.10701	24.8
171.11739	3.3
175.03888	5.4
177.05466	5.4
179.06993	3.9
187.07712	3.2
189.12743	15.9
191.03377	3.1
191.14281	9.7
202.23532	3.0
207.06544	12.8
207.13828	17.4
219.10178	3.1
291.12155	9.0
293.13889	6.2
301.21460	3.7
311.14957	17.6
405.71469	2.8
442.52985	3.0
535.32471	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	535.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56086	1.9
50.91737	2.1
53.03941	4.8
55.01888	2.5
55.05507	5.9
57.03426	2.8
59.04996	2.7
65.03938	3.1
66.60721	2.0
67.05508	14.0
69.03436	14.6
69.07046	5.7
71.04991	5.1
71.19600	3.9
76.10442	2.2
79.05489	28.8
81.03425	15.6
81.07053	21.4
83.04967	5.1
83.08623	2.6
85.02446	3.0
85.02912	31.9
87.04427	2.9
90.39997	2.1
91.05482	38.0
93.07040	87.7
95.04963	7.3
95.08624	12.2
95.09122	2.0
97.02886	8.2
97.06527	4.6
99.04453	3.8
99.08078	2.4
103.05427	3.8
105.07032	24.7
107.04913	2.5
107.08586	24.4
109.02887	12.9
109.06501	7.6
109.10165	13.6
111.04430	4.9
111.08086	3.6
117.03386	2.7
117.07021	3.0
119.04938	11.8
119.08566	22.5
121.06522	7.1
121.10134	100.0
123.08067	8.2
123.11713	32.5
125.05968	4.5
125.09660	3.7
127.03911	8.9
129.07033	2.8
131.04924	3.4
131.08566	17.1
133.06543	3.6
133.07579	2.9
133.10107	6.6
135.04396	3.7
135.08072	5.4
135.11670	8.3
137.05991	19.5
137.09605	28.3
139.11172	5.9
143.04929	7.7
145.02808	6.6
145.10123	8.5
147.04391	13.8
147.08028	5.9
147.11694	8.9
149.09607	69.6
151.03903	9.9
151.07510	3.2
157.06406	3.1
159.08043	2.7
161.05957	2.6
161.09612	3.5
161.13206	5.2
163.03883	16.7
163.11203	2.7
165.06924	2.5
167.07091	3.1
167.10698	21.5
175.03882	14.2
175.07504	3.5
175.14847	4.1
177.05540	12.1
179.14258	2.6
189.12703	12.1
203.07137	3.4
207.06514	42.9
207.13794	21.7
225.14864	7.2
235.91115	2.4
237.09343	2.4
247.19566	2.8
265.08646	7.4
284.20764	2.6
293.13834	12.8
297.11240	6.8
301.21558	3.5
302.21948	10.3
311.14859	13.2
319.22626	4.3
320.23083	6.9
499.26724	3.2
505.18289	7.0
517.18579	4.4
535.19336	7.1
535.30261	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	535.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01860	2.5
55.05511	5.6
57.03428	6.2
59.04990	3.2
67.05496	15.5
69.03430	17.5
69.07057	8.2
71.04989	5.0
71.51375	3.2
73.02905	2.5
75.04488	5.3
79.05484	21.2
79.53064	1.9
81.03426	13.6
81.07055	27.2
83.04973	7.7
83.08622	2.4
85.02905	58.8
85.06546	6.0
89.03902	7.8
91.05477	26.4
93.07043	81.1
95.04966	10.2
95.08600	25.3
97.02899	10.2
97.06519	3.2
97.10163	2.9
99.04441	4.1
101.05971	2.1
103.05476	3.3
105.07036	21.5
107.04960	4.5
107.08598	16.8
109.02892	7.6
109.06516	7.5
109.10155	9.7
111.04445	3.8
111.08068	4.8
113.09624	3.3
115.03904	3.9
115.05481	1.9
117.03375	17.5
117.07003	5.7
119.04927	3.0
119.08583	29.4
121.06511	8.8
121.10136	85.4
122.10515	2.6
123.04401	2.5
123.08041	10.8
123.11694	55.4
124.07574	3.6
125.05988	6.2
125.09657	3.0
127.03912	8.8
129.07027	3.3
131.04951	3.7
131.08592	12.1
132.32237	2.1
133.06531	3.4
133.10123	7.2
135.04395	2.9
135.08032	3.1
135.11690	6.6
137.05992	18.5
137.09619	5.5
139.07512	2.7
139.11209	4.9
145.02838	47.3
145.10121	8.0
147.04385	7.3
147.08041	5.3
147.11681	7.6
149.05954	8.0
149.09618	43.1
151.03897	6.0
151.07527	2.9
151.11206	2.8
153.09050	2.6
156.09280	2.9
159.08244	2.3
159.11710	3.8
161.06003	3.3
161.09610	2.8
161.13287	4.5
163.03874	7.0
163.07539	4.7
163.11238	3.5
165.09056	3.4
165.12828	2.1
167.03433	2.4
167.07027	2.5
167.10696	22.7
171.11613	4.1
173.13191	2.2
175.03944	2.3
175.07620	3.5
177.05461	100.0
177.16289	2.6
178.05934	2.6
179.10643	2.1
189.12724	12.7
197.11716	2.7
207.06558	6.9
207.09998	2.2
207.13789	38.9
215.14287	2.7
225.09666	2.0
225.14844	6.8
293.13898	6.3
311.14850	6.8
317.06403	18.0
318.06747	2.7
351.17972	3.7
373.19958	3.7
450.96368	2.1
499.26630	2.5
517.27887	3.5
535.25214	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	535.2879
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
52.39938	0.3
55.01852	0.4
55.05497	0.8
57.03429	1.3
67.05509	1.6
67.05812	0.3
69.03443	0.5
69.07081	0.8
69.48070	2.7
79.05494	1.5
81.03417	1.6
81.07063	2.1
83.05007	0.7
83.08614	0.9
85.02924	1.9
86.09704	1.5
91.05464	2.8
93.07049	1.7
95.04985	1.2
95.08600	1.2
97.06512	0.5
105.07041	1.9
107.05001	0.5
107.08598	1.5
109.06539	0.6
109.10162	0.9
111.08121	0.4
119.08597	1.3
121.06521	0.5
121.10148	1.1
123.08062	0.5
125.00002	1.1
125.09663	0.4
129.07018	0.6
131.08556	1.2
133.06587	0.4
133.10110	0.9
137.05988	0.7
143.08548	0.6
145.10146	0.9
147.11679	1.2
149.09627	0.8
155.08392	0.4
157.10132	0.9
159.11681	0.5
161.13168	0.4
167.07048	0.4
173.11763	0.3
175.11221	0.5
184.07332	4.7
185.07753	1.0
193.12265	0.8
211.13351	0.5
218.07899	0.3
221.75861	0.3
251.12541	8.5
285.17017	1.0
307.15158	7.8
345.13184	0.3
517.31793	0.3
535.28760	100.0
536.29071	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	535.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51534	1.8
53.03940	2.9
65.03926	2.4
67.05494	2.4
69.03421	5.1
70.06577	2.3
70.70521	5.1
71.04967	2.5
79.05492	2.3
81.03413	3.8
81.07021	1.8
83.04984	2.4
85.02880	6.8
91.05483	18.7
95.04961	2.6
95.08614	2.4
97.02872	4.6
98.21362	2.5
105.07005	3.2
107.04941	2.7
107.08583	3.0
109.02847	3.0
109.06458	1.9
117.03337	2.2
119.04940	32.0
119.08549	2.2
121.10091	2.7
123.04442	2.2
123.08058	2.2
137.05956	6.8
139.03856	3.2
145.02820	6.4
145.04979	2.2
147.04395	28.0
147.25844	2.0
153.01852	2.7
157.03986	2.8
161.05956	2.3
163.03923	2.4
167.07019	3.2
175.03905	51.5
176.04422	1.9
177.05463	11.2
179.06984	3.7
181.88611	1.9
197.04781	4.5
207.06520	100.0
208.06812	4.1
213.05496	2.0
247.06114	2.5
251.02115	2.3
321.09726	2.4
339.10574	2.1
351.10953	2.5
353.05109	8.4
369.11740	5.2
388.80090	2.0
535.13940	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.8
57.07076	4.0
67.05504	19.2
69.03417	13.6
69.07063	11.6
69.53065	3.8
71.04993	17.8
71.52657	8.4
79.05511	22.9
81.03413	10.8
81.07057	37.7
83.04958	5.7
85.02912	14.1
91.05466	23.0
93.07047	47.9
95.04947	9.6
95.08612	31.3
97.02877	10.8
97.06557	5.6
105.07047	24.1
107.04958	6.1
107.08604	27.8
109.02898	6.6
109.06552	7.3
109.10154	49.8
111.08054	5.2
117.07004	5.9
119.04952	4.9
119.08607	22.9
121.06522	8.0
121.10145	62.6
123.04447	5.7
123.08086	6.8
123.11720	8.4
125.09638	13.3
127.03944	6.7
131.04912	5.6
131.08578	15.5
133.10152	22.6
135.08080	5.8
135.11671	18.8
137.05988	20.6
137.09622	34.2
137.13234	8.4
139.11212	20.3
143.08585	6.8
145.02849	7.1
145.06429	4.9
145.10138	17.5
147.04448	7.7
147.08015	8.9
147.11723	9.8
149.05931	5.1
149.09596	21.0
151.03938	4.5
151.11191	6.7
153.01776	4.3
153.09172	4.1
157.06532	4.0
157.10095	9.6
159.11690	7.4
161.09636	15.1
163.03871	10.1
163.11220	11.7
165.09146	14.5
165.12778	5.3
167.07033	6.2
167.10641	8.2
169.10181	7.2
171.11696	11.7
173.09586	5.8
173.13280	12.4
175.03856	9.9
175.07578	6.0
175.11115	19.8
177.05481	17.3
179.07100	7.0
179.10692	5.1
183.10178	5.5
183.11665	4.3
185.13217	4.8
187.14851	10.9
193.15852	5.6
197.13339	11.3
201.12933	4.7
203.14325	6.3
207.06474	23.2
211.14726	4.8
213.12767	8.2
213.16408	10.8
215.14320	19.1
231.17450	12.8
273.22366	5.0
281.28543	4.0
283.20419	22.3
297.11276	5.3
298.43640	4.3
301.21609	90.7
319.22653	100.0
337.12692	6.3
337.23706	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	534.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02498	2.0
53.03933	2.9
54.35071	1.7
55.05503	8.0
57.03434	3.6
57.07076	3.5
59.04982	8.6
65.03928	2.7
67.05503	14.3
69.03416	6.9
69.07057	14.9
70.18682	5.2
70.19102	4.8
71.04988	27.0
73.06549	2.9
77.65056	1.6
78.43162	1.8
79.05493	19.0
80.05800	1.8
81.03432	3.2
81.07051	67.1
81.07535	3.2
83.04973	5.3
85.02908	6.6
86.06059	4.2
91.05464	15.4
93.06489	3.2
93.07043	41.8
95.04976	17.1
95.08598	24.3
97.02906	5.6
97.06506	13.9
97.10146	2.7
103.05458	3.9
105.07023	11.8
107.04952	4.5
107.08590	21.2
109.02858	3.4
109.06506	4.3
109.10129	11.6
111.04459	2.5
111.11730	3.7
119.08565	9.1
121.06484	6.8
121.10138	92.4
122.10502	1.9
123.04431	2.7
123.08089	4.9
123.11707	34.6
125.05983	14.9
125.09634	4.6
125.54811	2.2
127.03897	5.2
127.11233	1.8
128.06183	2.5
131.08580	6.0
133.10127	9.2
135.11671	21.4
135.79637	1.9
137.05980	5.2
137.09607	3.3
139.11179	22.3
143.08543	2.8
143.10706	5.1
145.10146	4.4
147.04370	3.0
147.11661	3.5
148.07556	6.0
149.09622	13.8
150.10226	1.8
151.11172	3.5
153.12737	100.0
157.10123	2.9
159.11674	3.6
161.13354	1.9
163.03979	2.9
165.09099	2.5
167.10672	82.1
168.20660	1.8
171.10117	2.5
171.13786	2.6
174.41678	2.0
175.14857	2.3
177.05487	2.8
185.11719	68.7
187.14813	3.1
197.07825	2.0
205.15813	2.8
207.06563	3.3
285.07571	1.9
301.21594	5.6
311.14670	2.4
317.06671	5.2
319.22699	8.2
329.15857	11.2
337.23611	6.8
355.24484	2.0
373.07001	3.6
390.09036	2.2
421.16995	2.1
457.10623	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	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.6
57.03440	0.4
58.06609	0.4
60.08161	7.3
66.41837	0.2
67.05499	0.9
71.07371	3.0
71.08570	0.2
71.51518	0.2
79.05500	0.8
81.03422	0.3
81.07043	0.9
85.02903	0.4
86.09703	31.7
91.05491	0.4
92.71782	0.3
93.07035	0.7
95.04964	0.3
95.08607	0.3
97.02908	0.4
98.98467	2.9
104.10736	11.5
105.07034	0.3
107.04989	0.3
107.08575	0.4
108.08924	0.2
109.10129	0.4
115.03946	0.2
115.10503	0.3
116.99501	0.2
119.08576	0.4
121.10135	0.7
124.99996	21.8
133.04974	0.3
135.11661	0.5
143.01062	0.5
149.13298	0.3
151.09976	0.2
152.71912	0.2
180.80565	0.2
184.07332	100.0
185.07761	0.4
209.66986	0.2
258.11008	0.3
516.30737	1.7
534.31952	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
58.06630	0.5
60.08164	7.1
67.05503	0.4
69.03415	0.2
69.85617	1.1
70.06572	0.2
71.07370	2.9
79.05492	0.3
81.07042	0.5
86.09702	31.2
91.05477	0.4
93.07041	0.6
98.98461	3.1
104.10744	2.9
105.07073	0.3
107.04998	0.2
107.08581	0.2
109.10153	0.3
117.07068	0.2
119.08574	0.3
121.10148	0.3
121.91128	0.2
124.99999	21.7
137.05939	0.2
143.01047	0.4
145.10161	0.2
149.09570	0.2
149.13248	0.3
153.57796	0.2
159.03549	0.2
170.19348	0.2
184.07333	100.0
185.07689	0.3
190.13290	0.2
256.21674	0.2
258.11020	0.4
498.29895	0.7
516.30798	3.2
546.89142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01864	0.9
55.05502	1.8
56.05030	1.8
56.69720	0.5
57.03440	2.2
58.06595	1.5
59.07380	0.6
60.08163	17.6
61.02916	0.7
63.42300	0.4
67.05506	2.7
69.03430	2.4
69.07066	2.4
69.99423	1.1
69.99816	1.1
70.06578	0.5
71.07371	6.5
73.02921	3.2
79.05492	3.1
81.03396	0.9
81.07061	4.5
83.08617	0.6
85.02903	6.2
86.09702	53.0
87.04413	0.5
91.05474	2.9
93.07042	4.3
93.84943	0.4
95.04992	1.2
95.08598	5.7
96.08897	0.5
97.02886	3.2
97.06540	0.6
98.45574	0.4
98.98471	4.3
104.10738	96.7
105.07040	2.4
107.04951	0.5
107.08591	3.5
109.10168	3.3
110.10491	0.5
115.03927	1.8
117.07029	0.6
119.08567	2.0
121.10146	4.4
122.10460	0.5
123.11748	1.0
124.99998	29.0
127.03905	2.1
131.08557	0.8
133.04944	2.0
133.10120	1.3
135.11665	1.4
137.05975	0.6
143.01022	0.6
144.60129	0.4
145.04956	2.2
147.11682	1.6
149.13297	4.8
161.13219	0.7
163.06033	0.8
172.80884	0.4
178.87292	0.5
184.07333	100.0
185.07724	0.8
203.17876	1.0
205.19505	6.6
223.20418	0.6
241.07150	0.6
245.23515	0.6
258.10962	1.2
259.20789	0.4
395.36200	0.4
498.29858	7.1
516.30835	33.9
517.30896	0.6
534.32416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05509	2.7
59.04990	8.7
67.05500	13.0
69.03413	6.1
69.07050	3.8
69.37440	21.5
70.06580	6.8
71.04982	15.0
71.18302	2.3
79.05482	11.7
81.03406	4.9
81.07057	44.3
83.04974	3.7
84.04478	2.6
85.02905	5.1
91.05476	9.7
93.07039	17.4
93.07615	3.3
95.04956	16.8
95.08599	17.9
97.02893	3.5
97.06519	10.6
97.10149	4.4
99.04448	3.1
105.07037	10.3
107.04955	5.3
107.08598	6.3
109.02899	3.8
111.04491	3.1
119.04946	4.7
119.08573	4.8
121.06464	3.3
121.10139	100.0
123.11703	33.5
125.05972	15.7
134.57213	2.6
137.05977	21.0
139.11153	27.2
143.10661	3.0
147.04417	5.9
149.09599	14.7
151.07527	7.9
152.95354	3.0
153.01823	3.8
161.05911	3.2
163.07466	3.1
167.07031	4.0
167.10680	70.3
171.06482	2.8
175.03934	3.1
175.07564	4.3
179.07010	6.9
181.49463	2.4
185.11707	52.3
207.06488	9.8
261.07590	3.6
278.09583	2.6
303.04892	3.1
314.12433	2.5
364.01630	3.0
492.68527	3.0
534.18951	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	534.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05518	3.0
59.05006	5.4
67.05501	11.3
69.03425	7.0
69.07057	6.1
70.06586	2.9
71.04999	14.7
71.51994	2.5
79.05486	9.2
79.31313	2.0
81.07053	41.9
83.04981	2.6
85.02903	4.2
89.10749	1.8
91.05461	6.0
93.07058	12.5
95.04977	17.3
95.08617	15.6
97.02885	2.4
97.06516	7.5
98.21473	2.1
105.07028	7.6
107.04922	2.9
107.08573	5.7
109.02829	3.1
109.06513	3.3
111.04428	2.8
117.60950	2.1
119.08645	2.6
121.06515	4.1
121.10146	100.0
122.10453	3.2
123.04449	2.5
123.11709	31.7
124.82796	2.1
125.05959	11.8
125.09693	2.9
127.03905	3.0
137.05981	8.5
139.03882	3.5
139.11182	23.6
143.10669	5.9
147.04456	4.6
149.09631	13.3
151.07433	3.5
164.11230	2.2
167.07001	3.2
167.10681	78.8
167.12117	4.1
171.06395	2.7
175.07503	3.4
179.07074	2.6
185.11737	49.3
207.06525	12.9
237.07416	2.9
261.07538	3.1
279.08762	2.0
301.28098	2.3
329.16010	2.8
469.00943	2.9
505.31339	2.4
534.19385	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	534.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03178	0.3
53.03937	0.9
55.01860	1.3
56.12717	0.3
57.03428	0.9
59.04978	0.3
61.02923	1.5
62.89182	0.3
65.03941	1.0
69.03419	3.0
69.81142	1.7
73.02918	0.6
78.04707	1.0
78.96279	0.3
79.05476	1.3
81.03402	1.6
81.07059	0.7
83.99147	0.3
85.02901	10.1
87.04459	0.5
91.03943	0.5
91.05481	3.1
93.07026	0.9
94.04157	0.4
95.04943	1.9
97.02888	3.8
98.21471	0.4
99.04435	0.6
102.39455	0.3
103.05458	1.9
105.07033	3.9
107.04951	9.1
107.08577	1.0
108.05700	0.5
109.02858	1.4
109.06493	0.6
111.04474	0.6
115.05464	1.4
117.07016	2.1
118.04140	0.4
119.04932	2.6
120.02116	0.4
121.06497	100.0
122.03644	1.1
122.06812	0.8
123.04424	2.1
123.08057	1.2
123.11700	0.4
127.03895	1.1
131.04935	1.9
133.06491	2.2
133.07503	0.7
135.04424	0.7
135.08057	5.1
136.05179	1.1
137.05972	22.9
138.03111	0.4
139.03886	0.9
141.24594	0.3
143.05078	0.3
145.04958	1.8
145.06494	1.7
146.03598	0.4
146.07240	0.5
147.04388	3.4
149.05978	3.2
149.09616	0.9
151.07503	1.0
153.05461	3.2
158.07277	0.4
159.04439	0.4
161.05971	9.2
162.03117	4.2
162.06699	0.5
163.07532	3.8
177.05463	46.9
177.08977	4.1
178.05913	0.7
178.09914	1.5
179.07024	8.7
180.08681	1.0
181.06465	0.5
191.10579	0.3
193.08614	2.5
196.05116	0.9
197.05962	0.6
198.06729	0.4
211.07533	0.8
213.05406	0.6
215.10664	0.5
215.62616	0.3
221.06136	0.5
221.08018	2.3
221.09674	0.2
222.06715	0.5
223.07568	0.4
225.05507	0.8
225.09030	0.4
227.06982	1.9
228.07860	0.3
234.06543	0.3
239.07014	1.3
240.07816	1.0
241.08502	0.4
250.06387	0.5
251.07005	1.0
253.08656	0.7
256.07285	0.8
257.08038	1.1
259.09613	6.3
265.08566	2.5
271.09653	4.1
272.16711	0.3
281.08063	0.7
281.11487	0.7
282.08786	0.4
283.09485	1.5
285.11169	0.6
297.11188	3.7
301.10730	4.7
313.10727	29.3
313.14258	3.5
314.11142	0.6
318.86176	0.3
323.12772	0.9
337.14380	3.5
355.15378	70.5
356.15698	1.6
444.99210	0.3
446.20981	0.5
534.25958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01857	3.1
57.03424	3.2
61.02927	5.2
69.03423	8.2
70.06585	16.2
71.04982	2.1
71.50828	0.9
72.26422	0.8
73.02903	1.7
81.03413	4.1
83.04990	0.8
85.02901	32.5
87.04466	1.5
91.05472	1.5
95.01301	0.8
95.04925	1.1
97.02887	9.1
98.14994	0.8
99.04409	1.4
103.05499	1.1
109.02866	3.1
111.04411	1.5
117.07048	1.0
119.04922	1.2
123.04403	3.5
125.05988	1.8
127.03918	6.2
131.04919	3.2
137.05959	3.8
141.06921	1.2
143.04958	1.6
145.02873	1.7
145.04944	5.8
145.06430	1.0
147.04404	6.4
149.05994	3.0
151.03867	5.7
153.01794	0.9
153.05424	2.9
155.04906	1.1
159.04414	1.4
161.02312	0.9
161.05934	2.6
163.03879	2.5
163.07562	1.6
165.05473	1.6
169.06470	2.4
171.04425	2.7
175.04007	1.4
175.07530	2.4
176.04666	2.6
177.05443	16.6
179.06970	1.1
180.08687	1.3
183.04414	1.2
185.05930	2.3
187.05949	1.1
187.07472	1.3
188.04596	1.6
188.51842	0.9
189.05470	3.6
190.06218	1.4
191.06987	13.0
197.05911	4.0
199.03877	1.8
200.04636	2.1
201.05373	1.9
201.09210	0.9
203.03265	1.0
203.07080	4.3
204.04132	1.0
205.04984	1.8
207.06468	3.4
213.05522	2.2
214.06206	3.5
215.07011	5.0
217.05020	5.6
217.08611	1.9
219.06491	14.3
221.04437	4.1
227.06989	2.7
229.04997	2.1
229.08601	5.1
231.06631	7.0
233.08055	1.4
242.05844	1.5
243.06395	5.1
245.08125	2.6
247.06004	1.2
255.06630	1.4
257.08066	2.1
259.05936	2.8
273.07581	3.2
291.08682	3.0
309.09683	1.3
319.08090	1.1
323.07654	2.1
337.09149	100.0
338.09668	1.1
355.10156	2.2
372.13037	1.5
534.19678	10.1
555.45337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01863	3.8
55.05500	2.9
56.34111	0.7
57.03428	7.3
61.02927	11.1
67.05492	4.0
69.03425	33.9
69.07063	8.6
70.61588	0.7
70.86371	1.7
71.04990	4.6
73.02921	4.5
79.05461	4.0
81.03413	15.4
81.07066	5.8
83.01324	1.3
83.04986	2.1
83.08624	2.6
85.02899	100.0
85.06531	2.2
86.22638	0.8
87.04475	4.5
91.03942	6.4
91.05473	5.9
93.07025	5.6
95.04970	9.2
95.08598	6.9
97.02890	34.9
97.06522	4.2
99.04448	5.0
99.08059	1.0
103.03974	1.1
105.07016	6.7
107.04965	2.0
107.08595	8.4
109.02866	10.4
109.06517	5.5
109.10132	4.0
111.08086	2.0
115.03949	1.5
119.04923	4.0
119.08595	6.1
121.06486	4.0
121.10136	5.2
122.07290	4.0
123.04422	1.4
123.08060	20.8
123.11702	2.1
125.06020	1.3
127.03902	28.6
131.08582	2.0
133.10144	7.3
135.04417	1.1
135.08046	32.7
135.11679	3.9
137.05975	1.5
137.09601	2.9
139.07561	0.9
139.11194	1.4
145.04945	36.7
145.10144	1.4
147.04393	10.1
147.11679	3.9
148.08829	1.6
149.09619	3.4
149.13255	1.0
151.03859	1.1
159.11682	1.1
161.09581	1.4
163.03909	4.4
163.06023	6.9
163.07364	1.6
163.14839	1.7
165.12741	20.9
167.07080	1.0
171.06569	2.2
173.13275	2.0
175.07530	0.9
175.14851	3.8
176.11993	3.9
177.05502	1.7
177.12761	1.0
189.07623	2.8
189.12762	0.9
191.14291	94.4
192.14604	1.2
193.15883	11.2
207.06639	1.3
207.08476	0.9
207.13739	4.1
209.15341	15.3
233.15570	0.8
335.18500	1.1
353.19626	3.1
371.20596	9.1
533.25940	28.6
534.25311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.8
57.03424	1.7
57.13700	1.1
59.05010	1.0
65.03945	1.0
67.05491	3.0
69.03433	5.6
69.07056	1.8
71.04984	2.3
71.51435	1.5
79.05475	2.4
81.03415	6.8
81.07051	6.1
83.04996	1.1
85.02905	8.2
85.06519	2.0
89.03914	5.5
91.05480	6.1
93.07030	4.6
95.04934	3.3
95.08601	4.0
97.02888	3.9
99.04456	1.8
101.06000	1.3
105.07014	3.4
107.04942	1.2
107.08591	5.8
109.02852	2.1
109.06551	1.8
109.10145	4.3
117.03376	18.2
119.04950	6.0
119.08560	3.4
121.06484	1.8
121.10137	4.9
123.04476	1.1
123.08033	2.4
123.11687	1.6
127.03911	3.9
131.04910	1.0
131.08582	1.3
133.10141	2.2
134.03670	1.3
135.04355	1.8
135.08049	3.3
135.11638	1.6
137.06003	6.6
137.09579	2.4
139.11060	1.2
145.02837	49.2
145.04782	2.1
146.03065	1.2
147.04399	33.4
147.11685	2.4
149.05974	7.6
149.09637	1.6
151.07526	1.3
161.05956	1.0
161.13232	1.3
163.03908	2.5
165.05511	1.3
165.09050	1.2
165.12712	1.3
167.07057	2.0
167.10651	2.0
175.07486	1.4
177.05466	100.0
179.03363	1.1
179.07069	1.7
179.10704	1.8
186.05536	2.1
191.14297	9.5
195.06483	1.2
207.06569	2.4
207.13762	1.6
235.16818	1.9
266.86826	1.1
291.08640	1.2
307.39896	1.2
309.09598	1.4
321.09631	6.3
339.10770	3.6
355.11557	1.6
388.99396	2.0
402.97446	1.6
467.00003	1.1
473.66321	1.2
533.03900	1.7
533.19836	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01872	6.5
55.05511	40.2
56.05850	5.6
57.03424	10.8
57.07067	8.3
67.05505	89.4
68.05834	7.4
69.07064	20.8
71.04999	5.5
73.02943	5.3
79.05496	57.3
81.07053	100.0
82.07379	6.2
83.08605	11.6
85.02892	5.1
85.06531	7.7
91.05479	43.8
92.05815	8.0
93.06477	9.0
93.07033	82.1
94.07388	9.5
95.04971	11.2
95.08610	70.0
97.06519	8.1
97.10147	6.2
98.20740	10.3
105.07019	47.9
106.07354	11.6
107.08590	60.6
108.08955	9.2
109.10144	43.8
109.94423	4.5
110.10486	7.8
117.07014	19.8
119.08556	37.9
120.08927	12.5
120.64698	4.9
121.10141	42.5
122.10443	5.2
123.11699	18.2
125.80693	4.2
129.07005	10.8
130.07314	5.6
131.08574	40.0
132.08911	14.1
133.10129	35.2
134.10419	10.1
135.11661	36.9
136.11998	7.9
137.09659	5.5
137.13249	7.6
143.08533	17.9
145.10104	35.2
146.10455	14.6
147.08081	5.0
147.11649	24.6
148.12004	9.9
149.13272	27.6
155.08507	4.6
157.10109	18.5
158.10466	8.0
159.11671	31.0
161.13223	16.5
162.13603	10.8
163.14827	12.7
169.10129	7.8
171.11710	10.7
172.12048	6.9
173.13268	24.6
174.13654	5.0
175.14809	7.2
183.11597	6.3
185.13257	15.1
186.13747	5.6
187.14754	11.1
199.14752	7.7
201.16403	5.4
241.19495	5.9
242.19815	5.0
243.21088	31.8
255.15871	6.4
256.16293	7.0
259.20502	10.5
260.20926	16.6
261.22095	70.8
316.23468	6.6
329.83209	5.0
334.24808	6.1
335.25723	13.2
353.26926	19.8
404.30304	10.4
412.32928	7.5
422.31247	20.6
430.33679	5.9
440.32172	13.4
458.33405	14.4
464.22446	4.9
486.36697	6.2
496.34915	10.2
504.37787	28.6
514.36011	83.6
532.37006	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.2
55.05509	17.9
57.03428	5.1
57.07075	5.4
67.05141	5.6
67.05506	85.6
68.05836	5.5
69.07060	20.8
69.93423	4.2
70.50107	3.9
76.09309	5.0
79.05492	56.2
81.07057	88.2
83.08613	6.9
85.02901	6.9
91.05454	28.3
93.07038	76.5
95.04942	6.3
95.08604	80.7
97.02879	5.4
97.06517	5.7
97.10158	6.4
98.20715	8.4
101.79861	4.2
103.56792	4.4
105.07043	22.8
107.08590	35.3
109.10158	47.1
111.08075	5.4
117.07003	10.6
119.08591	22.9
121.02840	5.9
121.10162	27.0
123.11699	20.1
125.45432	4.8
131.08574	15.1
133.00098	4.3
133.10130	16.3
135.11693	25.3
137.13313	10.4
145.10095	17.3
147.11670	14.7
149.13252	21.7
153.12582	4.0
159.11671	13.8
161.13225	15.5
163.14832	15.9
173.13246	17.9
175.14983	4.1
177.16441	5.5
179.14267	7.0
187.14810	12.6
229.39250	5.9
243.21095	34.1
261.22125	100.0
335.25711	27.7
353.26831	27.0
473.06464	12.9
501.05923	27.9
532.37408	5.9
533.08728	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	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88475	1.8
53.03923	6.0
55.01860	6.6
55.05272	2.4
55.05510	29.7
57.07078	4.9
65.03926	1.9
66.57069	1.6
67.05501	59.3
68.09830	1.6
69.07057	20.6
69.52743	13.5
71.04972	4.4
71.08619	3.4
76.07038	1.9
77.03915	1.8
77.22469	1.7
79.05019	2.3
79.05484	46.3
81.03387	4.9
81.06597	3.8
81.07052	56.3
83.04985	8.9
83.08620	12.0
85.06512	5.1
90.92850	1.7
91.05472	41.5
93.06488	3.8
93.07034	46.3
93.62050	1.7
95.04941	5.5
95.08597	29.2
97.06524	6.9
97.10156	9.3
98.21490	4.2
99.08086	2.8
105.07021	50.8
107.04952	2.2
107.08578	36.4
109.06507	5.9
109.10149	31.7
111.08062	5.2
115.05434	2.5
117.07020	18.4
119.08582	33.1
121.06495	2.7
121.10154	18.6
123.08068	4.0
123.11687	5.3
125.09603	3.8
128.06204	3.8
129.06996	15.7
131.08563	33.9
133.10112	39.4
135.08084	3.1
135.11673	23.2
137.09630	3.0
141.07010	3.0
142.07687	2.0
143.08539	19.4
145.10118	40.5
147.08020	2.8
147.11708	22.1
149.09624	3.7
149.13261	8.8
151.11177	6.5
155.08551	6.5
157.10114	20.1
158.10808	1.8
159.11690	26.5
161.09662	2.1
161.13275	14.9
163.11156	4.2
163.14841	4.5
167.08551	3.0
169.10069	10.5
171.11676	22.1
173.13208	19.8
175.14828	6.0
177.12863	2.4
181.10118	4.6
181.12244	3.4
183.11665	11.8
185.13211	18.9
187.14864	10.2
195.11678	7.0
197.13222	11.6
199.14816	8.8
201.16306	2.6
207.11646	1.9
209.13167	7.2
211.14828	7.3
213.16376	5.7
221.13295	3.1
223.14725	4.9
225.16350	1.9
226.03430	1.9
231.17552	2.4
231.21213	3.2
237.16476	3.0
241.19641	9.4
251.17889	2.6
253.14310	12.7
255.15839	15.7
257.19189	2.3
259.20502	26.8
261.22150	4.4
269.58585	2.4
271.15536	3.8
273.18378	1.7
277.21701	2.1
283.20547	2.3
285.22083	2.8
311.23642	1.9
315.23279	2.4
317.24960	2.8
323.23706	2.4
327.23068	2.4
333.24191	7.6
353.24957	2.4
391.29300	2.0
393.31683	3.2
403.29672	6.1
409.30853	7.8
411.32806	9.6
421.30984	24.8
429.33759	4.3
439.32043	18.2
447.34500	2.6
457.33133	17.7
485.35922	6.6
489.36090	2.0
495.34805	3.6
501.35468	4.5
503.37250	32.2
513.35718	100.0
514.36005	4.5
528.71155	2.2
531.36774	49.7
538.30096	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	531.3678
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
51.02391	1.6
53.03937	4.2
55.01857	5.0
55.05507	36.1
57.03437	15.3
57.07068	3.5
62.83686	1.4
63.83583	1.3
65.03941	3.9
67.05502	73.6
69.07058	25.2
69.32943	3.8
69.33369	9.6
71.01293	1.4
71.04975	5.6
79.05489	55.4
81.03420	3.0
81.07052	62.2
83.04971	5.4
83.08618	15.2
85.06545	7.0
91.05475	53.4
93.07043	59.2
95.04963	8.5
95.08601	42.5
97.06522	10.1
97.10146	11.5
98.00523	1.5
99.08080	3.1
103.05464	2.1
105.07029	52.8
107.08587	43.5
109.06516	3.5
109.10159	24.5
111.08086	3.2
111.11605	1.5
115.05419	1.8
117.07005	22.2
119.08577	50.0
121.06491	2.5
121.10145	18.3
123.08081	5.7
123.11710	5.0
125.09625	3.9
128.06190	5.2
129.07011	16.5
131.07610	2.5
131.08557	43.9
131.68150	1.4
133.06464	1.6
133.10133	42.7
133.84435	1.5
135.08057	3.4
135.11693	28.2
137.09595	1.5
141.06976	6.3
142.07779	4.4
143.08560	24.6
144.09268	3.0
145.06442	2.0
145.10120	45.6
147.08046	3.2
147.11678	29.7
149.09612	2.1
149.13260	11.5
151.11180	4.9
155.08583	11.8
155.09671	1.8
156.09326	3.6
157.10117	28.7
158.10880	2.1
159.11697	35.9
161.09680	3.9
161.13261	21.0
163.11174	3.6
163.14804	2.8
167.08524	3.6
169.10144	14.2
171.11682	31.4
173.13249	26.0
175.11143	2.7
175.14809	9.7
181.10118	8.2
181.12206	4.8
182.10971	1.7
183.11685	16.7
185.13240	22.3
187.14813	14.4
189.11073	1.5
189.12593	1.7
189.16321	2.3
195.11674	5.7
197.13258	12.7
199.13208	1.9
199.14809	13.7
201.12656	1.6
201.16403	4.2
203.14287	2.1
207.11917	1.9
209.13239	6.9
211.14755	7.2
213.16370	7.1
215.17970	2.2
223.14819	4.7
225.16551	2.6
227.17946	2.8
227.72241	1.5
231.17441	2.0
231.21077	4.0
235.14783	2.6
237.16367	3.1
239.18137	1.8
241.19518	19.0
243.20967	2.5
251.18008	2.0
253.14285	7.6
255.15842	18.4
257.18979	1.7
259.20563	35.8
261.22098	3.4
263.18149	1.9
265.19571	1.8
267.21060	1.7
269.18823	2.3
269.22702	1.6
271.20639	2.1
277.21683	2.0
279.21252	1.8
283.20520	1.5
285.18707	2.2
285.22168	4.1
295.20535	2.6
297.22119	4.5
299.23660	3.6
301.21814	2.3
309.22141	3.7
311.23657	3.7
313.21631	2.6
315.23145	4.9
327.23282	4.0
329.24686	2.2
333.24335	12.1
339.22964	1.8
339.86047	2.0
341.24588	3.0
393.31628	2.0
403.29794	5.6
409.30902	6.0
411.32532	9.2
421.31042	23.0
427.32053	3.2
429.33630	3.7
439.32080	19.5
447.34900	2.4
457.33109	17.8
477.33627	2.3
483.34732	3.5
485.36282	7.8
495.34494	8.4
501.35355	7.3
503.37344	29.5
510.73907	1.6
513.35773	100.0
514.36084	4.1
531.36761	46.4
532.37170	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3679
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
53.04880	1.7
55.01870	5.1
55.05510	26.3
55.18587	1.7
56.43207	2.2
57.03445	11.8
57.07076	4.0
58.59198	1.8
64.44479	1.8
65.03939	2.5
67.05504	56.0
69.07064	21.4
69.53973	16.0
71.04990	5.0
75.45455	1.8
79.05496	48.1
81.03410	4.7
81.06592	4.2
81.07056	57.9
83.04998	5.1
83.08619	12.0
85.06547	4.8
91.05479	44.3
93.07040	51.8
95.04961	8.7
95.08601	40.6
95.77702	1.8
97.06519	6.2
97.10159	10.3
99.08123	2.8
105.06322	2.7
105.07031	46.0
107.04952	2.9
107.08591	29.9
109.06509	4.7
109.10149	21.0
117.07033	19.8
119.08578	36.5
121.10145	16.3
123.08095	4.3
123.11698	4.9
125.09613	4.6
128.06232	4.5
129.07021	13.2
131.08569	29.8
133.10127	34.4
135.07970	2.8
135.11694	24.8
141.07010	4.1
142.07730	2.3
143.08560	20.1
144.09196	3.4
145.10129	36.2
147.11702	20.1
149.09563	2.6
149.13231	7.3
151.11188	5.9
155.08548	8.9
156.09358	2.5
157.10144	25.2
159.11676	29.5
161.13272	12.8
163.11252	3.1
163.14833	2.3
167.08606	3.5
169.10136	12.4
171.11685	23.7
172.12280	2.1
173.13274	18.5
175.14737	11.0
181.10066	5.6
181.12271	2.5
183.11691	11.5
185.13257	17.6
187.14835	11.8
189.16397	2.6
195.11749	5.6
197.13239	11.9
199.14832	10.8
201.16437	3.6
207.11723	3.0
209.13260	5.4
211.14854	5.3
213.16342	3.4
221.13200	3.5
223.14806	3.2
225.16394	3.1
231.20990	2.9
235.14810	3.9
237.16418	2.2
241.19524	12.7
243.17365	2.6
252.73062	2.1
253.14410	8.1
253.19542	2.4
255.15840	22.3
259.20621	28.0
261.22311	3.0
279.21320	2.9
285.22186	3.4
287.23798	2.7
297.22165	3.8
309.22025	3.2
313.21545	2.2
313.24982	3.2
315.23239	3.5
317.24567	2.7
333.24203	13.7
359.01456	2.1
385.04282	2.8
393.31665	4.8
403.29962	6.8
409.31003	6.7
411.32526	8.5
421.30991	23.9
429.33957	4.1
439.32101	23.5
447.34610	2.5
457.33041	21.7
483.34695	4.3
485.36130	7.6
495.34546	7.7
501.35727	5.7
503.37399	37.1
513.35779	100.0
514.35913	4.2
531.36877	52.4
532.36633	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	531.3682
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.03922	7.5
54.61497	2.2
55.01859	9.7
55.05508	20.2
57.03419	4.7
57.07060	6.1
65.03931	4.0
67.05504	100.0
69.03427	5.5
69.07072	22.1
70.55299	3.3
70.55653	8.5
71.04976	9.9
71.08611	8.7
79.05080	4.3
79.05499	57.2
81.03419	6.7
81.07056	77.4
82.07381	2.9
83.04967	11.9
83.08600	8.7
85.06523	9.0
87.04444	10.4
88.48459	2.4
91.05484	67.6
92.05806	2.8
93.07041	72.9
95.04949	10.4
95.08603	41.6
97.06498	10.7
97.10166	4.6
99.04436	3.9
99.08067	9.1
105.07036	53.4
107.08590	58.1
109.06483	7.8
109.10160	81.1
111.08060	4.5
113.05996	2.9
113.89618	2.5
117.07018	13.1
119.08582	18.9
121.10136	21.4
123.11719	13.3
129.06981	4.0
131.08575	18.8
133.10129	84.1
135.11687	21.1
143.08551	3.9
145.02797	5.5
145.10063	9.2
147.11681	10.3
149.13278	13.0
151.11179	44.5
157.10103	4.3
159.11649	9.3
161.13228	3.7
163.11256	4.1
163.14888	3.0
169.12219	9.6
173.13202	9.2
175.14752	3.7
175.83852	2.4
177.05470	16.1
179.14244	13.5
181.05013	2.5
187.14801	3.3
199.14864	2.9
215.12834	4.1
217.45267	3.4
226.76880	2.6
243.20979	3.1
253.14360	75.1
259.20596	4.0
261.22202	21.2
271.15128	2.8
277.21628	11.5
317.24640	5.2
439.32230	5.6
457.33157	6.0
513.35754	11.6
531.37201	94.3
532.36957	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	531.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65252	1.1
54.12103	1.2
58.44078	1.1
71.21561	1.2
71.51375	2.0
83.04978	4.4
85.02918	2.2
91.05502	1.9
94.18580	1.2
95.04987	1.7
98.95879	1.2
105.03418	1.1
111.04447	4.6
115.05442	1.7
117.03439	1.4
119.04948	1.7
123.04420	17.3
132.08199	1.7
135.04401	4.2
137.02348	1.6
137.06010	1.5
139.03883	10.1
145.02859	1.7
146.05997	2.4
147.04391	3.0
153.01825	1.2
160.07574	49.9
161.05873	1.5
163.03902	14.8
170.06012	3.2
172.07568	8.0
175.04013	2.4
176.08952	1.2
177.10226	9.1
181.04921	1.9
184.07594	3.4
200.07074	14.6
204.06459	1.5
207.06575	5.0
212.07034	11.9
218.08243	2.2
234.09161	11.5
238.98210	1.2
262.08603	11.0
265.07336	33.5
265.69730	1.4
268.09689	1.2
280.09680	52.0
294.11115	2.0
322.10678	12.8
332.69208	1.2
340.11768	10.4
360.17670	1.4
453.00546	1.8
496.15924	3.8
514.17053	100.0
515.17468	2.1
531.19867	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01862	2.7
55.05272	1.6
55.05512	18.6
57.03437	15.5
57.60588	1.3
59.60909	1.3
65.03931	1.7
67.05506	24.9
69.03434	4.3
69.07063	5.4
69.36233	10.9
71.04980	5.8
79.05494	27.5
81.03418	69.3
81.07052	26.0
83.04977	19.4
83.08622	20.3
85.02900	23.5
85.06537	1.8
91.05483	36.6
93.07038	18.0
95.04968	25.7
95.08599	11.1
97.02918	3.2
97.06516	4.4
97.10158	3.5
99.08040	1.6
99.53544	1.3
105.07027	24.4
105.47900	1.4
107.04949	8.2
107.08581	9.1
109.06510	5.2
109.10155	4.1
111.04452	2.9
111.08073	11.2
113.05993	2.2
115.05447	2.4
117.07008	1.8
119.08578	18.3
121.10147	10.2
123.08077	2.2
125.09674	1.3
129.07013	11.2
131.08546	10.0
133.06474	2.7
133.10133	12.8
137.09613	2.0
142.07774	2.4
145.10139	2.5
147.08034	3.6
147.11700	16.5
147.38084	1.1
149.09586	6.6
152.78868	1.3
157.10135	14.2
165.12730	3.5
175.11180	17.5
193.10435	2.2
193.12244	63.7
211.13287	100.0
212.13615	2.3
213.44102	1.3
217.79506	1.2
249.14915	1.6
267.15891	24.4
285.16959	83.3
286.17270	1.8
295.00363	1.3
308.77219	1.3
384.03571	1.4
385.23846	1.8
433.24976	1.3
459.27283	6.6
477.28485	10.6
495.29562	25.6
513.02118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01877	1.0
55.05489	1.5
57.03434	9.0
57.07052	2.6
60.04505	1.3
61.02900	1.6
65.15955	0.7
67.05494	4.2
69.03428	28.6
69.07047	2.4
69.95975	1.7
69.96362	1.8
71.05000	1.2
71.08642	3.9
71.08955	0.8
73.02900	1.3
75.04465	1.9
79.05480	3.8
81.03397	3.0
81.07072	5.8
82.07401	0.9
83.04974	1.3
83.08602	1.5
85.02905	28.4
87.04467	19.8
91.05481	5.7
93.07051	3.8
95.04949	1.9
95.08595	3.2
97.02890	26.9
98.21452	0.9
99.04440	2.1
103.05461	0.9
105.07029	10.5
107.04904	0.9
107.08549	4.2
109.02840	1.5
109.06472	1.6
109.10150	1.6
111.04436	0.9
113.05972	1.4
115.03928	37.5
116.56074	0.7
117.07024	4.4
119.08575	15.5
120.34536	0.8
121.06508	0.7
121.10122	2.2
123.04436	1.8
127.03902	5.6
128.31641	0.9
129.06970	1.9
130.07741	3.5
131.08583	10.7
133.04962	40.4
133.10097	1.9
135.11646	1.7
137.05907	1.4
139.03888	0.9
143.08554	3.4
144.09303	1.0
145.04976	8.1
145.10117	100.0
145.82384	0.9
146.10443	1.1
147.11642	1.3
150.07596	8.1
157.10138	3.8
159.10483	1.3
159.11699	17.2
163.03902	1.3
163.05992	3.0
163.11215	1.0
169.10089	2.9
171.11775	1.1
173.13231	1.0
175.11154	1.3
183.11748	1.2
187.11246	1.0
187.14760	0.9
191.03416	1.3
193.12173	1.1
201.16385	48.6
211.13199	1.7
212.93591	0.8
213.16341	1.4
223.37108	0.7
225.16539	0.9
227.42760	0.9
241.07051	1.5
243.17458	2.2
258.98950	1.7
259.08060	2.0
263.74274	0.8
284.76190	0.8
285.17020	2.1
327.03046	1.0
333.20615	1.2
345.04147	2.3
368.08594	1.1
386.74765	1.0
530.35870	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	530.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81541	0.6
53.03929	0.7
55.01875	4.1
55.05504	1.1
57.03440	7.7
57.07070	1.7
58.86411	0.5
59.05005	0.9
61.02924	4.0
67.05500	3.4
69.03063	0.5
69.03423	9.8
69.07072	1.0
71.01353	2.0
71.05013	1.2
71.08628	3.9
71.51633	1.1
73.02915	11.4
79.05497	2.8
81.03419	3.2
81.07057	4.1
83.04963	1.0
83.08598	0.9
84.04529	0.6
85.02905	28.5
87.04454	1.6
91.03922	0.7
91.05472	5.1
91.96257	0.6
93.07043	2.5
95.04977	1.4
95.08607	2.5
97.02887	14.1
97.06530	1.3
99.04440	1.7
103.03926	1.4
105.07030	11.6
107.04964	1.1
107.08611	3.2
109.02884	2.8
109.06490	1.0
109.10138	2.0
111.08058	0.8
115.03944	8.5
116.06223	0.6
117.07005	4.5
119.08570	15.4
121.06544	0.6
121.10107	1.0
127.03907	7.9
128.06218	0.8
129.06989	1.7
130.07793	3.9
131.08568	9.7
132.06537	1.4
133.04956	9.5
133.10114	1.4
135.11630	0.8
137.05942	0.8
143.08527	2.4
144.09286	0.8
145.04976	9.2
145.10118	100.0
146.10452	2.1
147.11726	1.4
149.09583	0.8
150.07629	2.0
155.08539	0.6
157.10164	1.8
159.11687	16.0
161.09612	0.8
161.13332	0.7
163.06015	4.2
173.13271	0.9
191.03395	1.0
196.06906	0.5
199.05998	0.6
199.14806	0.6
201.16376	44.3
202.16745	1.5
207.06514	0.8
211.14951	1.4
223.06047	1.6
241.07013	1.4
259.08136	1.3
261.16678	0.6
276.20313	1.1
278.16757	0.6
285.16849	0.7
299.05188	0.6
309.07498	0.7
350.24210	0.7
530.28333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01868	1.7
55.05510	13.6
57.03424	3.2
57.07068	3.6
57.94387	0.6
59.04979	0.8
62.36540	0.7
65.03923	1.9
67.05501	36.8
69.07067	12.0
70.64198	2.3
70.64566	0.6
70.71717	0.6
71.04977	1.4
71.08614	1.1
79.05489	27.3
81.03391	1.3
81.07053	36.8
82.07381	0.7
83.04963	3.8
83.08613	8.0
85.06531	2.6
90.06675	0.6
91.05473	22.3
92.05818	0.7
93.07037	30.8
95.04978	4.3
95.08604	21.7
97.06517	5.1
97.10136	3.5
99.08094	0.9
105.07026	20.8
107.08588	17.8
109.06522	1.4
109.10147	8.7
111.08077	1.5
115.05473	0.8
117.07014	11.3
119.08574	17.3
121.06483	1.1
121.10142	12.3
123.08065	1.3
123.11692	2.7
125.09616	1.7
127.11176	0.9
128.06238	1.4
129.07021	5.6
130.07794	0.9
131.08554	19.6
132.08946	1.0
133.10121	12.6
135.11679	6.1
137.13254	0.7
139.11189	0.7
141.07001	2.3
142.07797	0.9
143.08553	9.2
144.09332	0.8
145.06503	0.9
145.10121	16.6
147.11697	6.5
147.53035	0.7
149.09599	1.7
149.13257	6.1
155.08562	6.4
157.06528	0.6
157.10118	8.4
159.11696	9.9
161.13229	4.1
163.14746	1.1
167.08514	1.7
169.10112	4.3
171.11665	5.4
173.09634	1.1
173.13269	6.1
174.91887	0.8
175.14861	1.8
177.12788	1.4
179.14322	0.7
181.10138	2.7
182.10954	1.0
183.11674	3.6
184.12445	0.8
185.13245	4.9
187.14867	4.2
189.16411	1.1
195.11711	3.4
195.13853	2.2
197.13306	3.2
199.14769	3.6
201.16391	3.7
207.11440	0.9
209.13277	1.4
211.14835	3.0
213.16452	1.6
215.18004	2.1
223.14809	2.0
225.16409	1.8
227.18042	1.6
229.19559	0.8
235.14703	0.8
237.16464	1.2
239.18062	0.7
243.20992	1.7
248.23436	0.7
251.18156	0.9
261.22168	3.0
271.20557	1.1
311.23752	1.3
313.25403	0.9
317.24869	1.5
325.25412	1.2
339.26917	1.5
367.26227	1.1
419.32971	2.9
437.34174	12.2
455.35135	5.6
473.36597	3.4
475.35410	0.8
493.36765	1.2
511.38019	6.4
529.38824	100.0
530.39001	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01869	3.2
55.05513	21.3
56.38033	1.5
57.03431	2.5
57.07068	5.0
65.03940	1.7
67.05503	60.3
69.07068	22.1
71.05003	2.7
71.08628	1.7
76.84704	1.5
79.05492	44.6
81.03423	6.5
81.07053	65.4
81.07538	3.2
83.04990	4.3
83.08615	10.9
85.06545	4.8
91.05474	32.7
93.07039	53.7
95.04956	8.0
95.08598	34.0
97.06524	9.4
97.10151	2.9
99.08099	2.3
105.07024	23.9
107.04959	2.0
107.08595	28.4
109.06515	3.6
109.10150	11.6
111.08101	6.1
117.07021	11.4
119.08571	17.5
121.10144	22.0
123.08109	2.0
123.11712	2.4
129.06981	1.8
131.08572	17.4
133.10121	15.1
135.08014	1.9
135.11693	14.8
141.07036	1.9
143.08600	5.0
145.10129	14.4
147.11673	9.0
149.09738	1.9
149.13266	21.4
157.10109	5.4
159.11694	15.4
161.13319	4.6
163.11212	2.6
163.14827	2.1
169.10155	2.9
171.11757	4.2
173.13272	4.8
175.14871	1.9
177.12828	3.7
181.10117	1.8
183.11729	2.6
185.13271	3.3
187.14879	2.6
195.13841	6.1
196.54141	1.6
197.13330	1.6
197.64830	1.5
199.14857	2.0
261.22247	4.8
265.23016	1.9
275.20148	5.4
311.24210	1.5
419.33224	2.9
437.34256	5.2
455.35455	3.7
473.36203	2.0
511.37836	2.8
529.38947	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01862	3.0
55.05507	21.1
57.03440	5.1
57.07070	4.0
64.87751	0.8
65.03940	3.2
67.05500	46.3
69.07063	19.1
71.04987	3.1
71.08625	1.6
74.50098	0.9
79.05489	38.0
81.03416	4.3
81.07053	52.8
83.04978	3.3
83.08616	9.5
84.43047	0.9
85.06553	2.7
87.04462	23.2
88.89540	1.0
91.05473	29.4
93.07040	43.7
95.04957	7.0
95.08605	26.9
97.06531	7.6
97.10172	5.3
99.08077	1.2
103.48063	1.1
105.04529	1.6
105.06315	1.8
105.07025	27.4
107.04963	1.6
107.08587	24.3
109.06500	2.9
109.10163	11.2
111.08086	1.9
115.05480	1.6
117.07008	14.6
119.08564	19.9
120.08877	1.1
121.06506	1.5
121.10147	16.0
123.08117	2.0
123.11720	3.7
125.09656	2.8
128.06281	1.9
129.07001	7.4
131.08568	21.5
133.10104	12.8
133.10938	1.0
135.08092	1.6
135.11703	10.9
137.13240	1.3
141.06955	1.8
142.07816	2.2
143.08545	7.8
145.10120	20.1
147.11699	7.5
149.09641	2.4
149.13257	9.3
151.11292	1.1
155.08571	3.4
157.10117	6.1
159.11693	14.0
159.12901	1.3
161.13229	4.7
163.11290	1.4
163.14851	1.1
167.08546	2.4
169.10168	4.9
171.11647	7.9
173.13260	8.0
175.14890	1.2
177.12779	2.2
179.14435	1.3
181.10091	1.9
183.11632	4.8
185.13240	5.0
187.14888	4.3
189.11238	1.3
189.16412	1.8
195.11922	2.2
195.13858	3.8
197.13380	2.9
199.14896	3.7
201.16460	3.0
211.14890	1.6
213.12961	1.1
213.16476	2.7
223.14992	1.8
225.16515	2.0
227.12840	1.6
239.18065	1.4
243.21164	1.4
257.19153	1.5
261.22208	2.4
275.19965	5.4
285.22134	2.5
289.22003	1.2
297.22366	1.4
311.23636	1.8
313.25165	1.2
317.24878	1.8
419.33310	1.8
437.34256	12.7
455.35428	4.3
473.36160	3.0
473.42453	1.2
493.36429	1.1
511.37869	3.3
529.39008	100.0
530.38678	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	529.1342
Annotation	Justalakonin
Peak:m/z	Relative Intensity
53.03917	0.3
55.01825	0.3
55.05485	0.2
59.04974	0.2
61.02919	0.2
67.05459	0.5
69.03383	0.6
69.07032	0.4
70.06567	0.5
71.04949	0.3
71.35812	0.3
73.02893	0.4
79.05459	0.5
81.03372	0.5
81.07020	0.9
83.04948	0.4
85.02861	0.4
87.04386	0.2
91.05448	0.9
91.69491	0.2
92.33420	0.2
93.06993	0.9
95.04929	0.7
95.08569	0.7
97.02853	0.4
97.06493	0.3
103.05444	0.3
105.06998	0.9
107.04900	0.6
107.08540	0.7
109.02854	0.6
109.06519	0.4
109.10069	0.7
111.08044	0.2
113.80635	0.2
114.31995	0.2
115.79584	0.2
119.04948	0.3
119.08523	0.7
120.08941	0.2
121.02885	0.3
121.06434	0.3
121.10146	1.1
123.04414	2.0
123.08037	0.4
123.11690	0.2
125.05971	0.2
127.03828	0.6
131.08513	0.5
132.84485	0.2
133.06442	0.3
133.10078	0.8
135.04396	0.3
135.08037	0.3
137.05968	0.5
137.09601	0.3
139.03900	1.9
139.11142	0.3
145.10063	0.5
147.04378	0.7
147.07997	0.4
147.11674	0.3
149.09572	0.4
157.10033	0.3
159.11652	0.6
161.05988	0.4
163.03911	0.2
165.05440	0.7
167.06979	0.3
167.10558	0.3
177.05473	0.6
181.04831	0.5
182.05756	1.0
185.13261	0.2
191.03365	1.9
197.06252	0.5
197.08087	8.1
197.12952	0.2
203.03320	0.4
207.06448	0.7
215.14243	0.3
234.06699	0.4
235.16820	0.3
237.05594	0.4
239.06987	0.4
239.09167	4.3
251.06999	0.3
252.07918	0.2
261.05539	0.3
262.06409	0.3
263.07019	0.2
277.08594	0.2
279.06580	1.4
280.07263	2.3
289.05185	0.5
290.05728	0.2
291.08612	0.9
307.05984	2.2
308.06757	30.6
309.07153	0.7
310.04736	3.3
325.07004	3.3
325.10483	0.3
335.05484	5.3
367.08093	100.0
368.08548	2.2
368.84991	0.3
377.19342	0.3
453.18503	0.3
497.17169	0.7
529.13306	1.2
529.21667	0.8
529.26630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01870	8.5
55.05508	27.0
57.03432	15.4
57.07061	2.8
59.04991	2.4
59.62734	2.3
60.19591	2.2
63.92310	2.0
64.76574	2.4
67.05504	40.0
69.03425	4.2
69.07056	7.0
70.93820	2.0
71.04986	7.9
71.51792	2.9
71.52155	2.9
79.05070	3.7
79.05495	39.2
79.05930	4.2
81.03417	64.5
81.07053	40.4
83.01334	6.4
83.04982	29.1
83.08615	27.5
85.02911	26.3
85.06540	2.8
91.05483	39.1
93.07043	36.1
95.04961	27.5
95.08601	14.7
97.02855	3.9
97.06536	7.2
97.10155	5.3
99.04446	4.0
105.07025	27.0
107.04958	13.7
107.08578	16.8
109.06515	10.0
109.10205	5.3
111.04426	5.6
111.08076	12.1
117.07020	10.7
119.08587	30.2
121.06490	6.4
121.10134	18.8
123.08057	10.1
123.11635	2.5
125.09655	3.9
129.07074	11.9
131.08556	12.2
133.06448	2.7
133.10107	13.3
135.08040	3.9
135.11699	11.5
137.09663	2.8
145.10107	19.9
147.08052	4.9
147.11671	12.0
149.09613	7.9
153.12766	2.2
155.08537	3.6
157.10120	11.5
159.43999	2.1
163.11179	22.0
165.12732	5.2
173.09604	3.5
175.11255	13.1
181.12244	2.6
191.10562	5.0
193.12216	48.6
208.87056	2.3
209.11765	8.6
211.13278	87.5
227.12791	6.8
267.15875	17.7
283.15390	100.0
285.16959	60.4
367.07990	4.0
404.80124	2.5
475.27002	12.5
493.27914	73.2
494.28113	2.5
528.33832	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	528.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.4
55.05512	11.2
57.03423	6.0
57.07076	14.9
59.04984	6.8
64.39375	2.1
65.23155	2.1
67.05485	4.3
69.03427	25.4
69.07066	62.4
70.04785	8.2
71.04986	6.9
71.08634	11.4
73.06551	14.4
81.07054	5.5
83.04965	2.7
83.08618	4.5
85.02895	18.8
85.06504	2.2
85.10183	5.4
87.04456	9.9
89.06023	36.2
91.05495	6.1
93.07049	7.2
95.04975	2.8
95.08603	6.3
97.02883	18.0
105.07036	5.2
107.08572	5.9
109.02870	3.3
109.10183	3.1
111.08176	2.4
111.11715	90.1
115.03941	14.6
119.04959	2.8
119.08553	2.7
121.10157	5.8
125.68712	2.2
127.03882	2.6
129.12753	100.0
131.08508	3.1
133.04965	17.0
133.10135	3.4
142.07773	4.1
143.08521	3.2
145.10112	3.7
147.11641	6.1
148.12021	2.8
149.09663	2.8
157.10138	14.0
166.51732	2.2
172.29318	2.1
177.05476	3.1
197.54373	2.4
199.14996	3.5
199.16951	23.2
217.17963	29.0
308.06827	4.1
367.08173	6.7
496.17709	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	528.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51867	0.8
53.03939	1.1
55.01863	3.0
55.05516	10.7
57.03444	5.6
57.06838	1.1
57.07080	14.5
59.05002	3.6
61.02941	2.0
67.05518	1.1
68.36094	0.9
69.03434	7.5
69.07067	58.3
69.75438	1.8
69.75851	4.5
71.01352	1.0
71.04986	6.1
71.08629	11.1
73.02921	10.2
73.06562	10.6
81.03419	2.4
81.07039	2.2
83.08607	1.6
85.02905	15.2
85.10181	3.6
87.04472	1.6
89.06031	32.6
91.05484	2.2
95.08569	1.0
97.02895	12.5
105.07021	1.0
107.08577	1.6
109.02850	1.3
109.10195	1.0
111.11723	84.7
115.03932	5.3
119.08617	1.1
122.86443	1.0
127.03912	3.5
127.72242	0.9
129.12756	100.0
130.13042	1.0
133.04977	4.6
145.04947	3.2
170.15376	1.6
199.16934	21.1
199.18784	1.7
217.17975	25.8
233.15305	1.8
234.15710	2.8
267.85858	1.0
279.35037	0.9
367.08167	1.6
391.27701	1.2
528.29413	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	528.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60128	1.4
57.07080	1.7
59.04992	7.6
65.03944	1.6
67.05491	8.5
69.03423	2.6
69.07058	6.4
69.32777	4.2
69.33195	9.0
71.04983	11.5
76.43429	1.2
78.70757	1.2
79.05499	10.2
81.03414	2.9
81.07055	35.2
81.38694	1.5
83.01273	1.3
85.02888	2.3
89.67801	1.1
91.05479	1.3
93.07052	12.6
95.04961	13.0
95.08599	14.3
97.02872	1.8
97.06560	6.7
105.07027	7.7
107.08596	4.4
109.02867	2.3
109.06497	2.3
111.04407	1.7
111.11694	1.8
117.78527	1.4
119.08556	1.7
120.46745	1.4
121.06475	3.3
121.10136	100.0
123.08096	2.5
123.11700	32.7
125.05983	9.9
125.09657	1.3
127.03865	1.4
139.11171	28.0
147.04388	9.4
147.11713	1.6
149.09607	11.3
151.07529	1.8
153.01865	2.0
167.10666	74.0
175.01646	1.4
185.11714	52.1
186.12248	2.2
199.38828	1.4
207.06485	1.4
236.21030	1.3
262.06073	1.2
264.07858	1.3
278.94226	1.3
292.07248	2.4
293.69180	1.3
308.06558	2.5
317.41959	1.4
329.15823	4.2
336.05820	2.6
433.22430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04759	0.9
53.03939	1.9
55.01863	1.0
55.05507	16.0
57.03424	3.4
57.07078	0.9
58.90142	0.9
65.03934	1.6
67.05504	23.5
69.03441	1.1
69.07065	9.9
70.12576	3.3
71.04978	1.4
79.05490	18.2
79.92918	0.8
81.03426	4.5
81.07056	20.7
83.04990	2.1
83.08611	5.8
85.06496	0.9
91.05476	17.0
93.07043	16.1
95.04967	3.4
95.08605	12.7
97.06528	1.7
97.10185	4.5
98.21336	1.6
98.79285	0.8
105.07036	13.8
107.04951	0.8
107.08592	9.4
109.06488	1.3
109.10160	6.5
111.08096	1.9
113.09552	0.7
115.05482	1.2
117.07011	10.0
119.08579	10.6
121.06509	1.1
121.10154	7.0
123.08067	1.5
123.11704	1.2
125.09616	2.1
128.06215	4.3
129.06985	13.6
130.07829	0.9
131.08563	18.1
133.06435	0.9
133.10120	5.3
135.11667	4.8
139.39684	0.8
141.07014	5.7
142.07793	2.7
143.08566	13.9
144.09348	1.2
145.10114	15.7
147.11714	5.2
149.09608	0.9
149.13260	1.4
153.06969	1.0
155.08545	11.8
156.09375	2.2
157.10127	16.4
158.10867	1.0
159.11702	10.4
161.13272	1.9
163.04739	0.9
163.11266	0.9
167.08577	5.2
168.09328	1.2
169.10123	13.2
171.11681	13.8
173.13245	6.3
177.05510	1.4
179.08635	1.3
181.10123	6.8
182.10887	1.3
183.11702	11.6
184.07349	0.9
185.13245	11.9
187.14810	4.2
189.11205	1.0
193.10181	2.4
193.12219	0.9
195.11708	6.2
197.13264	8.0
199.14793	5.9
201.16385	1.4
207.11670	2.6
209.13274	3.8
210.13599	0.8
211.14825	5.6
213.16441	3.2
221.13240	2.0
223.14728	3.9
225.16464	2.5
227.17978	1.1
235.14775	2.6
237.16400	2.4
239.17992	1.7
249.16426	1.5
251.18068	1.5
252.81082	0.8
255.17435	0.9
257.19446	0.8
259.16968	0.9
259.20474	1.1
265.19467	1.7
274.45944	0.9
277.19739	0.9
281.19089	0.8
283.20517	1.3
295.20630	1.3
297.22055	1.3
299.20221	1.1
299.23657	1.2
309.22290	1.8
311.20462	1.1
311.23645	1.9
313.21115	0.9
315.23355	2.4
321.22168	1.8
323.23672	3.0
327.23218	1.2
333.22153	1.1
335.23694	1.0
337.25467	1.4
341.24820	2.3
349.25177	1.3
353.24991	1.5
355.26395	1.1
361.25064	1.1
379.26648	1.4
399.29660	0.9
407.33279	1.9
417.31491	7.3
435.32565	24.2
453.33661	9.3
471.34680	2.2
473.34177	2.5
491.35114	3.1
509.36176	12.3
527.37323	100.0
528.37653	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03939	1.8
55.01876	3.4
55.05511	15.9
57.03441	3.5
57.07063	2.9
58.18411	0.6
59.04996	0.7
65.03928	0.8
67.05500	29.8
69.03429	1.4
69.07069	10.4
69.27878	6.8
71.04980	2.8
71.08619	1.0
78.52335	0.6
79.05489	18.4
80.25309	0.7
81.03423	5.5
81.06595	1.4
81.07051	20.8
83.04986	2.6
83.08608	6.9
85.06526	1.7
91.05473	18.9
93.07037	18.7
93.76508	0.6
95.04953	4.4
95.08598	14.1
97.06505	3.2
97.10165	3.5
99.08063	1.0
103.05475	0.7
105.07027	18.0
107.04934	1.6
107.08586	9.5
109.06543	1.4
109.10152	9.4
110.17874	0.8
111.08080	1.6
115.05453	2.0
117.07006	9.2
119.08578	12.6
121.06519	1.0
121.10138	5.9
123.08031	1.1
123.11718	1.2
125.09618	2.8
128.06223	2.5
129.06998	12.8
130.07790	0.7
131.08563	20.5
133.10129	7.5
135.08072	1.3
135.11693	2.9
137.09647	1.4
139.11116	0.8
141.06995	4.1
142.07758	2.6
143.08548	18.7
145.10118	14.6
147.08043	1.4
147.11687	5.5
149.09628	1.1
149.13277	1.2
153.06961	0.8
154.07771	1.9
155.08548	13.1
156.09265	1.3
157.10126	14.2
159.08047	1.3
159.11681	5.4
161.09682	0.7
161.13264	1.9
165.07031	1.1
165.09126	0.9
167.08565	4.3
168.09372	1.1
169.10132	12.8
171.08095	1.0
171.11685	9.7
173.11760	1.5
173.13274	5.2
175.14821	1.6
179.08540	2.0
180.09319	1.0
181.10106	8.1
181.44333	0.7
183.11702	7.7
185.13252	7.4
187.14847	4.0
193.10188	2.4
193.12276	1.0
194.10997	0.7
195.11618	4.0
197.13277	6.8
199.14798	5.4
201.12759	0.9
201.16409	2.5
205.10211	1.0
207.11708	2.2
209.13239	4.1
211.14790	5.1
213.12958	0.8
213.16431	3.0
215.17924	1.6
219.11792	0.8
221.13307	3.0
223.14711	3.9
225.16403	3.4
227.17935	1.6
235.14853	2.6
237.16342	2.2
239.17995	2.8
241.19524	1.2
247.14827	0.9
249.16583	1.5
251.18010	1.2
253.15921	1.2
253.19563	1.2
261.22089	0.8
265.19495	1.1
267.21289	0.8
269.19086	0.8
271.17050	0.7
279.20862	1.1
282.11383	0.7
283.20578	1.3
285.21765	0.7
287.19916	0.9
291.20990	1.2
293.22736	0.9
297.22107	0.9
299.23502	0.7
309.22110	2.2
311.23563	1.0
315.23041	0.9
317.24615	1.4
323.23767	1.9
325.25250	1.1
327.23099	1.1
337.25311	2.5
339.23068	0.7
341.24814	1.9
347.23920	0.8
351.23135	0.9
351.26843	1.0
353.24872	0.8
355.26242	1.8
361.25269	1.2
379.26462	1.3
393.28201	0.8
407.33368	1.0
417.31635	6.6
418.97440	0.8
435.32559	21.5
453.33698	7.9
471.34839	3.4
473.34143	1.3
491.35455	2.4
509.36316	9.1
527.37317	100.0
528.37128	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01863	1.6
55.05269	1.0
55.05510	12.7
57.03438	3.5
57.07065	0.9
63.21694	0.6
65.03925	0.9
67.05502	23.2
69.07067	10.2
71.04988	1.9
75.08540	0.6
77.03938	0.8
79.05494	14.8
81.03402	1.1
81.06595	1.4
81.07052	24.1
83.04982	2.2
83.08612	5.2
85.06544	1.5
91.05477	15.2
93.07038	16.8
95.04967	3.1
95.08599	15.6
97.06519	2.7
97.10155	3.4
103.05473	1.2
105.07027	16.7
105.07703	1.4
107.08594	10.6
109.06507	1.2
109.10157	6.5
111.08068	1.2
115.05447	0.9
117.07021	11.3
119.08578	13.7
119.15731	0.7
121.10148	5.8
123.11683	1.0
125.09629	1.9
128.06207	3.6
129.06999	12.8
130.07802	1.6
131.08568	19.5
133.10121	10.2
135.08043	1.3
135.11679	3.3
139.11212	0.8
141.06992	4.7
142.07770	3.0
143.08559	18.3
144.09264	0.9
145.10117	16.8
147.11696	6.0
149.13268	1.9
151.11234	0.9
153.06975	1.3
154.07787	1.3
155.08537	11.1
156.09322	1.5
157.10117	14.7
157.11356	1.2
159.11687	10.3
161.09659	0.7
161.13268	1.7
163.36467	0.8
167.08588	3.2
168.09393	1.2
169.10112	12.4
170.10796	0.8
171.11682	13.0
173.13255	7.0
175.14861	1.3
179.08507	1.1
180.09377	0.9
181.10109	5.9
183.11667	10.9
185.13258	9.6
187.14864	2.4
193.10106	1.8
195.11649	5.7
197.13243	8.6
199.14812	5.7
201.16312	0.9
207.11757	1.9
209.13287	4.1
211.14818	3.9
213.16399	3.0
221.13310	2.5
223.14821	3.5
225.12860	0.7
225.16415	3.5
227.17880	1.3
235.14842	1.6
237.16422	2.4
239.18062	1.2
241.15762	1.1
241.19633	0.9
249.16411	1.8
249.28743	0.7
257.19022	0.9
259.20657	1.4
265.19617	1.1
269.18985	1.1
273.18597	0.9
275.20334	0.8
283.20859	1.1
285.18521	1.0
295.20581	1.0
297.21924	1.6
299.20193	0.8
309.22177	1.8
311.19925	0.9
311.23764	0.9
313.21649	1.2
315.23264	1.2
323.23499	1.9
327.22998	1.0
329.24536	1.0
335.23816	1.0
341.24762	0.9
353.24664	0.9
365.24609	1.1
367.26205	1.5
407.33255	1.2
417.31714	6.4
429.29843	0.9
435.32556	17.9
453.33667	9.5
471.34747	3.0
473.34286	2.1
491.35089	2.1
509.36349	11.9
510.36420	0.8
517.27124	0.8
527.37299	100.0
528.37744	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.8
52.94045	0.6
53.03935	2.6
53.07651	0.7
55.01868	1.8
55.05243	0.9
55.05508	13.4
57.03438	4.6
57.07050	2.2
65.03945	1.0
67.05500	26.4
69.03391	0.6
69.07062	11.6
69.26953	4.4
69.27380	3.2
71.04982	1.3
79.05489	20.0
81.03418	1.4
81.07054	28.5
83.04982	1.7
83.08609	7.2
85.06540	1.8
91.05473	18.4
93.07039	22.5
95.04970	3.1
95.08605	16.2
97.06530	1.9
97.10168	4.0
99.08091	0.9
99.81972	0.7
105.07021	19.4
107.08593	11.3
109.06476	1.3
109.10152	7.0
111.08102	2.1
115.05439	1.7
117.07014	12.5
118.13704	0.8
119.08576	16.4
121.06557	0.8
121.10139	6.5
123.08056	1.0
123.11709	1.3
125.09605	1.9
128.06212	2.0
129.07002	13.8
130.07767	1.0
131.08559	19.7
133.10114	10.9
135.08076	1.3
135.11714	4.0
141.06993	5.3
142.07782	3.4
143.08560	18.9
144.09299	1.9
145.10112	15.7
147.08011	1.1
147.11681	5.0
149.09639	1.3
149.13275	2.3
151.11159	0.8
153.07025	1.4
154.07800	1.1
155.08553	11.7
156.09325	1.5
157.10120	14.5
157.11330	1.2
159.11685	11.4
161.13248	1.6
165.07030	1.2
165.12788	0.8
167.08499	3.8
168.09335	1.6
169.10121	11.1
171.11664	11.3
173.13210	5.4
175.14824	1.3
179.08609	1.8
181.10101	6.2
182.11060	0.9
183.11690	12.0
185.13254	9.6
187.14841	1.7
193.10069	1.6
195.11722	4.8
195.13391	0.8
196.69621	0.9
197.13243	8.7
199.11209	1.0
199.14819	4.8
201.16345	1.4
207.11658	2.3
209.13245	4.3
211.14777	4.8
213.14610	1.0
213.16431	3.2
221.13251	1.9
223.14771	3.9
225.16476	2.0
227.18114	1.0
235.14867	2.0
237.16382	2.5
239.18076	1.0
249.16425	1.2
251.17940	1.1
259.20602	1.9
263.17899	1.1
269.18903	0.9
279.20871	0.9
283.20605	2.6
295.20432	0.9
297.22186	2.4
299.20032	0.8
301.21927	1.1
309.21960	1.9
311.23685	1.4
313.21561	1.6
315.23181	1.8
323.23639	1.7
325.21719	1.0
325.25278	1.2
327.23267	1.4
335.23593	0.9
337.25208	0.9
339.23193	1.4
341.24731	1.5
349.25174	1.0
353.24655	1.5
361.25247	1.1
379.26416	0.8
393.27573	0.8
407.33038	1.2
417.31427	7.1
435.32556	19.3
436.32721	1.0
453.33719	9.0
467.50598	0.8
471.34802	4.6
473.34271	1.2
491.35007	1.8
509.36212	10.4
527.37292	100.0
528.37823	5.8
549.79639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01867	2.1
55.05511	14.6
57.03440	3.5
57.07065	1.5
64.88998	0.5
65.03929	1.4
67.05504	29.1
69.07063	12.6
71.04991	1.8
77.03899	0.5
78.99619	0.4
79.05490	21.8
81.03418	1.9
81.07053	26.1
83.04966	2.8
83.08618	6.5
85.06533	1.7
91.05477	24.4
93.07039	21.8
95.04968	4.2
95.08606	19.0
95.09257	0.7
96.08976	0.5
97.06503	3.0
97.10162	3.8
99.08057	0.9
103.05476	0.7
105.04499	0.6
105.07024	25.0
107.04929	1.1
107.08593	12.7
107.51408	0.4
109.06522	1.4
109.10144	7.0
111.08076	1.7
115.05470	1.4
116.06200	0.6
116.26291	0.5
117.07013	14.0
119.08577	16.9
121.06549	0.9
121.10136	8.5
123.08042	1.8
123.11734	1.7
125.09633	1.9
128.06223	3.7
129.06999	14.3
129.15344	0.5
130.07758	1.1
131.08562	21.0
131.09546	1.1
132.09401	0.5
133.06517	0.5
133.08592	0.7
133.10126	12.9
135.08113	0.6
135.11697	3.9
137.09685	0.8
139.11186	1.0
141.06984	4.4
142.07765	3.7
143.08554	17.7
144.09361	1.2
145.10121	16.4
147.07990	1.0
147.11647	6.3
149.09621	0.9
149.13219	3.0
153.06960	1.1
154.07736	1.0
155.08549	10.1
156.09338	1.8
157.10126	15.7
158.10899	0.6
159.08121	0.5
159.11690	13.0
161.09586	1.1
161.13287	2.6
163.11160	0.9
165.06981	0.6
167.08551	3.0
168.09367	1.7
169.10112	11.7
170.10869	0.8
171.08076	0.7
171.11674	13.8
173.09705	0.6
173.13249	6.9
175.14761	0.7
177.12741	0.6
179.08568	1.3
181.10114	5.9
182.10910	0.8
183.11702	10.7
185.09662	0.6
185.13246	8.6
187.11102	0.7
187.14864	3.0
189.12816	0.7
189.16512	0.7
193.10159	1.7
194.10915	1.0
195.11690	6.1
197.13255	9.8
199.13219	0.8
199.14828	5.2
201.16379	1.1
205.10258	0.9
207.11746	2.1
209.13289	4.3
211.14839	4.3
213.12852	0.8
213.16431	3.0
219.11522	0.6
221.13268	2.5
223.14781	3.9
225.16417	1.9
227.18005	1.1
229.64371	0.7
231.17392	0.6
233.13332	0.6
235.14819	2.3
235.16978	0.5
237.08017	0.6
237.16382	1.7
239.18065	1.7
241.15900	0.8
241.19543	1.2
243.14127	0.5
243.17429	0.5
245.18954	0.6
249.16458	1.2
251.18158	0.9
255.17433	0.6
259.20615	3.1
263.17972	1.0
265.19540	1.7
269.19171	0.7
273.18448	0.9
277.19363	0.7
283.20605	1.4
287.20114	0.7
293.22708	0.8
295.20700	0.9
297.22083	1.3
299.20084	1.1
299.23489	0.5
301.21585	1.1
309.22134	2.0
311.23712	1.5
313.21799	1.0
315.23291	2.6
321.21976	0.9
323.23697	1.9
325.21786	0.7
325.25397	1.3
327.23358	1.0
329.24713	1.0
335.23648	1.0
337.25311	0.8
339.23135	1.1
341.24734	1.1
347.23520	1.0
349.25137	1.1
351.26740	0.9
353.24875	1.0
365.24869	0.6
367.26489	1.0
398.56055	0.6
407.33118	1.4
417.31488	7.1
425.34174	0.8
433.30222	0.6
435.32544	21.4
453.33661	9.8
463.64606	0.7
471.34741	3.5
473.34140	2.1
481.85114	0.5
491.35147	2.3
509.36237	9.9
527.37311	100.0
528.37695	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
52.52445	0.7
53.03931	2.3
55.01860	2.7
55.05508	14.5
57.03424	2.9
57.07090	1.5
63.52953	0.8
65.03925	1.7
67.05502	29.2
69.07069	10.9
69.37719	6.0
71.04981	2.4
79.05019	1.0
79.05485	19.5
79.05922	1.6
81.03397	1.2
81.07051	26.6
83.04971	2.3
83.08620	6.8
85.06524	2.8
91.05472	20.5
93.07045	18.6
95.04977	3.3
95.08597	18.0
97.06534	2.8
97.10175	3.3
105.07025	20.3
105.92883	0.9
107.08595	12.4
109.06519	1.4
109.10144	8.5
111.08093	1.8
115.05450	1.4
116.06261	1.1
117.07008	12.9
119.08579	14.1
121.06472	1.7
121.10136	7.6
123.08047	1.3
123.11696	2.5
125.09646	2.1
128.06244	3.6
129.06998	11.9
130.07817	1.4
131.08560	20.7
133.10121	10.9
135.08046	0.9
135.11707	4.3
137.09740	0.9
141.06970	4.3
142.07782	3.6
143.08533	16.7
145.10114	17.3
147.11670	5.6
149.13225	3.2
151.11237	1.2
153.06941	1.3
153.19748	0.8
154.07744	1.5
155.08546	10.8
156.09325	3.3
157.10115	15.1
159.11699	13.1
161.13297	2.9
163.14948	0.9
167.08527	4.5
169.10120	12.4
171.11658	11.4
173.13264	8.1
175.14859	1.1
180.09428	1.1
181.10124	6.0
183.11684	11.6
185.13249	9.7
187.14873	2.4
189.16292	1.0
193.10121	1.5
195.11731	4.7
197.13239	10.0
199.14772	5.1
201.16429	1.3
207.11783	1.5
209.13190	5.1
211.14862	4.9
213.16364	2.4
221.13283	2.1
223.14777	5.1
225.16444	2.5
227.17972	1.2
235.14806	2.5
237.16460	1.5
239.18042	0.9
245.18835	0.9
249.16360	1.6
251.18002	1.2
259.20636	2.1
265.19382	1.6
279.17303	1.1
282.65042	0.8
283.20688	1.5
295.20627	1.1
297.18768	1.1
297.22104	2.2
299.20175	1.2
309.22055	1.5
311.23633	2.1
313.21671	1.2
315.23206	1.7
323.23584	2.5
325.21524	1.1
327.23346	1.8
329.24707	1.0
335.23526	1.4
337.25305	1.7
339.23306	1.5
347.23706	1.3
353.24799	2.1
389.27707	0.9
417.31683	6.8
435.32507	20.0
436.32932	1.5
453.33655	9.6
471.34702	3.7
473.34106	1.7
491.35303	1.8
509.36234	11.0
527.37317	100.0
528.37646	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	0.9
53.03936	2.1
55.01867	2.8
55.05511	14.9
57.03423	3.5
57.07071	3.1
65.03931	2.0
67.05504	29.4
69.03423	1.2
69.07066	12.7
70.11398	2.6
71.04980	1.9
79.05490	25.0
81.03410	1.8
81.07055	29.0
83.04980	2.7
83.08619	5.9
85.06514	1.5
89.06020	5.1
91.05477	23.1
93.07041	21.1
94.63351	0.9
95.04960	3.2
95.08606	19.5
97.06513	2.8
97.10162	3.8
99.08063	0.9
105.06316	1.5
105.07024	25.6
107.08591	13.2
109.06517	2.2
109.10146	7.7
111.08071	1.9
115.05467	1.2
117.07005	14.5
119.08572	17.4
121.06506	1.0
121.10135	8.7
123.08105	2.2
123.11681	1.2
125.09637	2.1
128.06241	2.8
129.07002	15.8
131.08569	21.7
133.06488	1.1
133.08636	1.8
133.10117	11.4
135.08122	1.1
135.11681	5.6
141.06961	5.8
142.07774	4.0
143.08557	19.6
145.06537	1.0
145.10109	18.6
147.11674	6.8
149.09636	1.5
149.13271	2.6
153.07019	0.9
154.07767	1.9
155.08554	11.4
156.09305	1.5
157.06520	0.9
157.10110	16.4
157.11324	1.2
158.54645	0.8
159.11699	12.0
161.13272	3.4
163.14796	0.9
167.08568	4.7
168.09398	1.3
169.10133	12.6
170.10954	1.4
171.11682	12.8
173.13252	7.3
175.11160	1.2
175.14751	1.3
179.08661	1.3
181.10158	5.2
182.10927	1.2
183.11697	11.6
185.13251	9.8
187.14755	4.0
193.10081	1.2
195.11700	5.3
197.13199	10.7
199.11295	0.9
199.13258	1.1
199.14822	5.5
201.16380	1.9
207.11803	1.6
209.13216	5.4
211.14917	4.3
213.16438	3.0
215.14207	0.9
221.13326	2.4
223.14842	4.2
225.16609	1.8
235.14767	2.2
237.16386	2.2
239.14229	1.1
239.17929	1.5
249.16377	1.4
251.17938	1.0
255.17586	0.9
259.20599	2.8
263.17822	0.9
265.19431	0.9
267.17639	1.1
271.16895	1.0
283.20538	1.9
287.19949	1.4
297.22171	1.0
309.22278	1.5
311.23529	2.1
315.23242	2.1
323.23544	2.1
324.95047	0.9
325.21823	1.3
327.19839	1.3
327.23248	1.3
328.20557	2.0
335.23831	1.1
337.25189	1.2
339.23175	1.2
341.24756	2.0
417.31604	6.5
435.32553	17.4
453.33667	6.5
471.34940	4.7
491.35339	1.8
509.36301	9.4
527.37305	100.0
528.37695	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	527.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01864	0.5
55.05499	0.7
57.03423	0.5
57.07080	0.8
57.15228	0.3
67.05516	2.1
67.32799	0.3
69.03419	0.7
69.07051	0.7
69.81754	1.0
69.82166	1.0
73.02923	0.5
79.05483	0.6
81.03403	0.5
81.07071	0.8
83.01313	0.5
85.02895	1.3
91.05478	1.2
93.07027	0.8
95.08605	4.1
97.02853	0.5
98.21497	0.6
105.07019	1.1
107.08591	0.8
109.10168	0.8
111.04446	0.4
119.04919	0.4
119.08556	0.4
121.06460	0.5
121.10150	0.9
123.08065	3.6
124.69701	0.4
129.06950	0.4
131.08554	2.5
133.10046	0.4
135.08081	4.0
145.10120	0.9
147.04443	0.7
149.09601	3.7
151.07539	63.5
152.07872	0.9
159.08057	3.7
159.11682	0.5
161.09610	0.9
162.05463	0.3
162.06720	1.9
163.07521	4.4
163.11172	1.1
165.09029	0.9
173.09648	1.0
175.07594	0.7
176.08295	0.6
177.09102	50.2
178.09439	1.2
189.09125	0.6
190.09875	1.0
191.10654	5.3
205.12234	11.1
206.12610	0.4
207.06573	0.4
215.14265	0.8
233.15359	100.0
234.15732	1.6
527.24402	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	527.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05507	0.8
57.03430	0.6
57.07062	0.6
65.03958	0.2
67.05512	1.6
69.03416	0.7
69.07058	0.7
69.28420	1.4
69.28847	0.5
71.01334	0.2
73.02916	0.5
79.05484	0.7
81.03409	0.5
81.07060	1.3
83.01357	1.0
83.04970	0.5
85.02891	1.0
85.06501	0.4
91.05477	1.6
93.07041	1.6
95.04973	0.4
95.08600	4.4
97.02883	0.8
97.06528	0.3
97.10160	0.3
105.07015	1.5
107.04956	0.4
107.08585	0.7
109.02921	0.2
109.06482	0.3
109.10133	0.6
111.04432	0.9
111.08112	0.2
115.03891	0.3
116.06246	0.2
117.07009	0.4
119.04951	0.5
119.08579	0.7
121.06518	0.7
121.10136	1.0
121.73100	0.2
123.08067	3.2
123.11691	0.3
127.03889	0.3
129.06981	0.4
131.08569	2.5
133.04968	0.4
133.10143	0.6
135.08054	3.7
135.11671	0.4
137.05959	0.7
137.09631	0.4
139.11200	0.3
143.08609	0.2
145.06511	0.3
145.10124	0.8
147.04420	0.8
147.08038	0.4
147.11696	0.3
149.09608	3.2
151.07533	64.0
152.07881	0.8
155.49950	0.2
157.10167	0.3
159.08040	4.1
159.11717	0.3
161.05988	0.4
161.09587	1.1
162.06752	2.2
163.07536	4.2
163.11188	0.7
165.09116	0.8
167.07014	0.3
173.09642	0.9
173.71489	0.2
175.03923	0.6
175.07613	0.7
175.11224	0.4
176.08310	0.4
177.09094	52.2
178.09421	0.6
183.11595	0.2
187.11273	0.2
187.14891	0.3
189.09103	0.4
189.12828	0.3
190.09856	0.9
191.10640	5.0
203.10681	0.4
205.12228	10.8
206.12587	0.3
207.06532	1.4
209.08064	0.2
213.05429	0.2
215.14320	0.6
217.23155	0.2
233.15349	100.0
234.15706	2.7
267.06451	0.3
329.04504	0.3
365.06558	0.2
527.23944	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	527.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01863	6.6
56.07335	1.7
57.03435	17.3
61.02927	10.4
61.03189	1.8
67.20824	1.8
69.03087	3.6
69.03432	42.2
70.02592	10.0
70.03754	5.9
72.30445	1.9
73.02915	16.6
81.03419	7.7
85.02905	100.0
86.03239	13.7
87.03333	2.3
87.04471	2.3
91.03934	2.6
97.02885	30.9
98.03220	7.3
98.21512	2.4
99.04471	5.2
101.00893	3.0
101.02376	3.5
103.00651	3.1
109.02883	4.1
115.03918	3.0
119.01917	6.3
120.02094	2.5
121.01649	6.5
121.02447	2.4
125.52952	1.9
127.03906	41.1
128.04262	10.6
131.01900	2.5
133.01659	2.2
136.13863	1.8
143.01909	11.3
144.02057	6.8
145.01636	18.3
145.03677	4.0
145.04950	38.5
146.05328	7.7
155.01953	6.8
156.02089	3.8
157.01581	10.2
157.03503	3.3
158.02124	2.2
161.02948	12.1
162.03104	5.1
163.02693	16.2
163.05934	2.4
164.03156	2.3
169.01723	3.4
173.02983	8.6
174.03111	6.8
174.04477	2.4
174.54597	3.0
175.02751	16.9
175.04471	6.0
175.54745	3.1
183.05051	4.3
183.55112	5.6
184.04904	15.7
184.55136	8.9
185.02838	11.0
185.04187	10.7
186.03122	6.8
187.02705	16.8
188.03136	2.7
192.05589	4.2
192.55652	5.2
193.05484	11.0
193.55708	7.7
197.02940	5.2
198.03104	2.2
199.02826	4.4
202.56046	2.0
203.03708	4.2
203.04271	2.6
203.05385	16.5
204.04181	7.8
205.03743	16.3
206.04282	2.7
215.04135	2.5
216.04166	2.4
217.03877	4.9
229.03664	4.5
233.05157	2.3
245.05064	38.3
246.05280	18.5
247.04842	41.0
248.05183	9.9
249.05473	2.7
256.07205	5.1
256.57278	4.3
258.04758	2.1
259.05090	2.9
263.06070	6.3
264.06454	6.4
264.57828	5.6
265.05667	6.3
265.07773	11.6
265.57932	13.5
266.06366	2.8
273.08234	5.0
273.58286	10.6
274.08194	31.6
274.58328	29.8
275.08453	7.3
277.06104	7.0
293.07370	2.4
294.07385	3.7
295.06992	4.4
305.07349	3.0
307.06949	2.6
325.08096	3.1
337.07886	2.1
347.09570	18.9
365.10501	50.6
366.09595	6.4
367.09018	15.0
368.09525	7.9
425.11359	3.7
426.11923	4.2
427.11273	11.1
428.11523	5.1
440.96948	2.1
527.15771	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68456	5.2
53.03926	7.5
55.05507	34.7
57.03417	18.6
67.05179	9.0
67.05499	93.9
69.03413	8.0
69.07043	23.7
71.04964	6.3
71.53095	8.5
71.53753	7.8
79.05081	8.6
79.05490	100.0
81.03407	67.6
81.07042	69.7
83.04961	20.8
83.08595	23.9
85.02893	19.4
85.06535	8.4
91.05469	72.1
92.38254	5.6
93.07034	77.6
95.04977	42.2
95.08607	40.0
97.02912	7.6
97.10158	9.3
105.07013	62.0
106.83857	5.6
107.04942	14.2
107.08575	26.5
109.06493	13.3
109.10146	19.0
111.08048	12.2
113.67390	5.7
117.06999	19.2
119.08552	42.0
121.06529	7.0
121.10109	19.9
129.06990	31.8
130.80576	5.6
131.08533	18.1
133.10089	21.6
135.08073	6.3
141.06993	6.3
141.91942	5.8
143.08527	17.4
145.10100	19.5
147.11705	46.6
155.08543	6.9
156.08870	6.9
157.10117	19.3
159.11681	7.0
161.13168	6.6
165.12743	6.8
169.10106	7.8
171.11632	29.9
172.12117	6.6
175.11159	12.9
184.11998	6.2
189.12769	10.6
193.12234	41.7
207.13721	31.6
209.13138	6.8
210.13496	7.9
211.13249	55.0
223.04134	5.8
224.40323	6.0
235.54515	6.1
267.15927	30.4
281.17499	83.0
285.16879	40.5
322.34372	6.3
382.86755	6.0
434.31436	15.1
447.30551	6.2
452.32416	12.5
473.28973	51.2
491.29935	62.2
508.34763	9.8
515.90137	6.0
526.36261	67.8
527.28369	11.2
527.36926	11.6
535.33545	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	526.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
57.03446	1.9
59.05005	8.4
67.05510	6.3
69.03436	8.5
69.07072	3.2
70.06596	1.4
70.69699	2.1
70.70034	3.1
73.02892	3.0
77.81293	1.4
79.05484	9.2
81.03419	2.8
81.07059	25.3
83.04964	2.5
85.02898	11.3
87.17467	1.3
91.05479	15.0
93.07056	11.9
95.04974	3.5
95.08616	22.0
97.02896	5.3
97.06514	7.0
98.21406	1.6
99.04414	1.4
99.08068	1.3
100.93649	1.3
101.06031	1.6
101.59627	1.4
105.07025	8.0
107.04967	4.1
107.08603	6.9
109.02866	9.2
109.06515	1.6
109.10163	9.4
111.04443	2.0
111.08137	1.3
119.04912	4.3
119.08580	3.9
120.04536	1.8
121.06554	2.5
121.10145	100.0
122.10465	1.5
123.04363	3.1
123.08065	13.7
123.11705	21.0
125.05997	5.5
127.03944	3.2
132.08038	1.9
136.07550	8.5
137.05971	3.8
137.09605	4.3
139.11189	13.0
141.09097	3.1
145.04942	5.5
147.04422	2.5
147.08017	1.9
149.09610	13.3
153.01791	2.0
153.09103	1.4
160.07707	1.8
165.05518	6.5
165.09100	6.8
166.04976	3.1
167.10681	63.3
170.05991	2.4
176.06624	1.3
177.05466	2.2
182.08136	10.4
183.06828	2.2
183.10135	11.7
183.11438	1.3
185.07129	2.5
185.11769	5.3
186.07414	1.3
207.06442	1.5
224.09050	1.4
226.48997	1.3
231.07726	9.3
232.07944	6.9
233.08224	4.0
271.09793	1.4
279.51746	1.4
289.04892	2.4
297.11511	1.5
311.14804	4.7
329.15976	2.5
335.05374	2.5
344.66425	1.5
364.08585	2.4
406.32922	1.5
454.82138	1.6
508.18848	2.2
526.20776	2.7
527.17395	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51965	1.1
50.89392	1.4
53.03934	2.9
55.05503	2.4
55.90646	1.1
59.04716	2.0
59.05002	40.9
65.03951	1.6
67.05508	17.7
69.03435	8.5
69.07071	6.9
69.60263	8.3
71.04984	2.5
79.05502	8.5
81.03424	2.9
81.07053	10.2
83.04958	1.5
85.02914	3.4
91.05483	6.0
93.07040	7.9
95.04957	7.1
95.08613	39.1
97.06530	13.4
99.08069	1.9
101.02885	1.4
105.07046	6.4
106.07384	1.2
107.04947	4.5
107.08591	3.0
109.02885	33.4
109.10160	43.1
111.08062	1.5
119.04948	3.5
119.08587	18.4
121.06525	1.5
121.10143	28.3
123.08071	54.6
125.05988	3.6
127.03912	1.3
137.05923	1.6
137.09622	31.8
139.11214	7.3
141.09102	16.0
145.66008	1.2
146.05994	3.7
147.04417	13.8
147.06216	1.6
147.08058	5.3
153.01868	1.7
165.05492	1.4
165.09117	39.7
168.69351	1.2
172.98946	1.4
175.03917	1.4
177.05478	3.7
183.10175	100.0
188.07048	3.2
189.07410	2.6
197.15309	2.0
201.11218	9.6
220.17369	1.2
241.09430	1.3
256.00613	1.4
297.11221	1.5
327.14386	4.8
329.13828	1.7
345.15302	7.0
364.12238	1.9
395.56366	1.4
526.17596	14.1
552.96960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34307	1.0
67.05487	2.0
69.03429	1.6
69.73409	1.3
71.04974	1.2
71.20638	1.2
71.50771	1.7
72.00401	1.3
72.20950	1.5
77.38849	1.1
79.05478	2.4
81.03413	2.0
81.07058	3.3
82.06565	2.6
85.02897	1.7
85.06562	1.5
91.05489	2.3
92.25806	1.3
93.07042	4.6
94.06563	6.0
95.04949	1.3
95.07362	3.1
95.08572	2.2
95.31382	1.1
96.08123	14.6
97.06569	1.2
106.06577	3.4
108.04478	16.9
108.08118	12.5
109.02855	1.6
110.09695	10.0
116.04964	5.6
120.08097	9.4
121.10159	5.0
122.06030	12.3
123.04372	1.6
123.08091	1.4
124.07587	47.3
129.11003	1.2
131.04929	2.4
131.65877	1.5
136.07550	12.0
137.05972	2.9
138.09142	19.5
140.07022	2.5
144.04454	9.2
146.05997	17.5
147.04428	1.5
148.07562	5.1
150.05507	2.5
152.07094	7.4
153.01810	2.7
160.03967	3.6
162.05455	2.9
163.03928	1.2
163.07616	1.8
166.08643	19.8
167.07011	2.5
167.10690	1.3
168.06552	19.8
170.65761	1.1
172.03932	42.8
173.04672	1.5
174.05490	11.5
177.05544	1.5
181.04926	1.5
190.04985	58.1
193.08557	1.3
204.06549	36.8
206.08095	14.5
207.06445	1.3
223.12242	1.7
236.09392	2.6
237.92737	1.2
246.77686	1.2
251.11760	3.7
252.08867	2.0
253.09563	1.3
264.08841	2.5
279.11230	9.8
287.10068	1.8
295.10709	2.1
297.12357	15.8
299.10251	3.3
306.97455	1.2
307.10776	8.5
313.11774	4.0
323.10306	7.8
325.11813	100.0
326.12091	2.8
329.11356	7.5
341.11392	12.6
343.12863	16.2
357.14377	2.8
359.12265	2.2
361.13898	2.4
373.13849	8.1
444.20996	1.2
452.18051	4.8
464.15186	1.3
476.18082	7.6
494.19220	61.8
508.20636	5.7
512.20166	4.3
526.21796	1.8
527.14801	1.5
549.00031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22060	1.1
67.05521	1.5
69.03404	2.3
70.06593	2.2
79.05486	3.4
80.05023	1.7
81.07050	3.1
82.06565	3.9
85.02883	2.3
89.03909	1.4
91.05479	2.6
93.07043	4.4
94.06563	7.1
95.04968	2.0
95.07336	2.9
96.08130	14.2
97.02912	1.2
97.06519	1.6
105.07005	1.9
106.06550	2.6
107.08591	1.7
108.04469	17.1
108.08119	10.7
110.09677	10.9
116.04970	6.8
120.04449	1.6
120.08103	12.0
120.08879	2.0
121.10107	2.9
122.06030	12.8
124.07584	51.1
131.04985	1.1
136.07570	11.9
137.05942	1.7
138.09137	20.6
140.07014	3.4
144.04431	12.7
145.02959	1.1
146.05988	17.6
147.04337	1.6
148.07602	5.7
149.09648	1.1
150.05467	3.5
152.07021	7.5
153.01904	2.1
160.03944	4.9
161.05934	1.3
162.05478	4.2
163.07559	2.6
166.08627	17.3
167.07027	1.9
167.10695	1.1
168.06546	17.8
168.07843	1.8
172.03937	40.6
174.05481	12.9
177.05478	1.6
181.04987	2.0
190.04980	66.7
204.06537	41.3
206.08127	13.1
223.12212	2.4
236.09421	3.4
251.11754	3.8
252.08908	1.7
264.08975	1.7
267.11221	1.4
279.11224	10.4
295.10748	2.5
297.12329	19.5
299.10184	3.8
307.10812	8.6
313.11850	4.9
323.10159	7.0
325.11813	100.0
326.12189	2.5
329.11307	7.4
341.11261	13.2
343.12903	20.2
357.14417	2.2
358.90631	1.1
359.12555	2.7
361.14294	1.7
373.13840	8.3
412.75687	1.3
448.18433	1.5
452.18021	3.4
466.19449	1.2
470.97537	1.1
476.18250	6.4
494.19217	77.4
495.19440	2.8
508.20837	6.9
512.20160	4.1
526.22430	1.9
527.14502	1.5
527.24683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
62.64024	0.8
64.88406	0.7
67.05491	1.6
69.07036	1.1
70.02629	2.8
71.64140	0.7
79.05494	3.4
80.05010	2.1
81.02010	0.8
81.07029	1.9
82.06567	2.2
85.02918	0.9
91.05460	4.1
93.05779	0.9
93.07038	10.9
94.06561	10.7
95.04998	1.6
95.07340	10.4
95.08607	1.5
96.08125	25.1
97.06515	1.9
103.05438	1.5
104.21426	0.7
105.32344	0.9
108.04454	1.0
108.08122	8.2
109.08932	1.3
110.09671	41.3
111.10030	1.1
120.08096	25.0
121.06532	1.7
123.06806	2.4
124.07626	1.4
135.11578	1.0
136.07587	3.7
137.05986	2.0
138.09131	41.8
146.06065	1.0
148.07549	6.2
165.09064	1.1
166.08627	70.9
167.08937	1.0
168.13083	0.8
177.05469	1.0
194.52406	0.7
199.08676	1.9
200.09491	1.5
207.06543	0.9
211.08623	4.5
212.09349	2.2
213.06639	1.9
213.10222	3.5
224.09285	1.1
225.06602	2.4
225.10197	5.0
227.08284	1.1
227.11765	3.1
229.09734	1.9
239.11844	7.1
240.08876	1.2
241.09706	3.9
241.13385	1.2
245.12816	13.5
252.08963	1.0
253.09732	5.5
254.10370	1.7
255.11253	14.3
257.12695	1.0
267.11298	9.8
268.12067	0.9
269.09265	1.0
269.12704	1.0
273.12265	2.1
283.10785	9.0
285.12350	5.1
295.10739	4.1
297.12195	1.7
301.11819	21.0
302.12061	1.0
311.10043	0.8
313.11807	21.0
323.10251	2.9
325.11835	1.1
329.11313	15.6
341.11285	6.2
343.12793	1.4
347.12381	1.8
361.13901	100.0
362.14325	2.3
373.13858	8.6
385.75906	0.9
389.62674	0.8
448.18512	2.2
466.19931	6.2
476.18137	2.6
494.19211	14.0
508.20816	7.3
526.21869	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	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05503	3.6
62.51155	1.4
67.05491	4.7
69.03397	1.9
69.07061	2.7
71.52274	2.6
79.05486	5.6
80.05015	1.9
81.03402	2.8
81.07043	4.0
82.06586	3.5
83.04968	2.2
83.08619	4.8
85.02910	2.1
91.05479	6.7
93.07033	14.5
94.06559	15.1
95.04952	4.2
95.07343	16.9
95.08575	2.7
96.08124	30.5
97.06514	4.7
100.07606	2.1
100.11255	10.0
103.05446	2.4
105.07024	2.3
108.08103	14.9
109.08945	1.7
109.10141	1.8
110.08916	3.5
110.09674	56.3
111.04433	4.4
119.08578	3.3
120.08103	33.2
120.08948	2.4
120.29476	1.4
121.02884	5.0
121.10137	2.4
122.03191	2.1
122.06004	3.5
123.11695	1.9
124.07555	2.2
128.07089	1.8
136.07451	7.2
138.09123	70.9
140.07098	2.1
146.06029	3.2
147.04424	3.0
147.11618	1.8
148.07549	9.7
148.11975	2.1
149.09573	2.3
153.01749	1.7
164.07051	3.3
166.04961	3.4
166.08629	100.0
167.06938	2.0
167.09012	2.0
168.06625	2.1
172.03888	2.8
174.05585	1.9
175.04010	1.8
177.05499	3.5
179.07091	1.9
182.15390	6.3
190.05037	1.9
197.07040	1.6
199.08678	7.1
200.09441	2.9
204.06544	4.1
206.08165	4.5
209.16473	3.4
210.11681	1.8
210.14879	6.9
211.08641	15.8
212.09363	3.6
213.06670	2.5
213.10214	7.5
223.12318	2.2
224.09348	1.9
225.06631	4.8
225.10153	11.8
227.08192	4.7
227.11790	4.4
228.08839	1.7
229.09705	3.9
237.10286	3.3
239.08066	2.6
239.11807	13.8
240.08846	2.8
241.09724	7.8
242.10394	1.8
245.12799	10.0
249.10329	3.9
250.10944	2.2
251.11833	3.6
252.08994	2.4
252.12547	1.8
253.09645	14.4
254.10585	4.2
255.11249	20.5
263.11868	6.0
264.12585	2.6
265.10068	1.6
266.10657	1.9
267.08246	2.1
267.11267	20.9
268.11923	4.3
269.12817	1.7
273.12192	2.8
279.11310	4.8
281.12469	1.6
283.10748	13.4
285.12274	11.1
291.11249	3.0
295.10776	16.9
296.11563	8.3
297.12256	3.5
299.10254	3.3
299.13461	1.8
301.11777	25.4
309.12283	13.6
311.13992	4.1
313.11813	61.5
313.15503	3.0
323.10526	10.0
323.13861	3.0
325.11865	6.0
329.11292	45.7
337.11572	2.2
339.13406	5.4
341.11276	20.1
343.12836	3.0
347.12421	4.2
361.13916	89.7
362.14050	2.8
369.10043	2.0
369.14441	32.4
370.15091	2.6
371.15997	8.1
373.13925	12.4
423.88263	1.8
430.13589	1.6
448.18744	2.8
450.20313	1.8
452.18137	3.2
453.34293	2.2
466.20407	9.3
476.17886	6.8
480.21307	3.2
494.19269	80.0
495.19455	3.1
508.20831	17.5
517.22736	1.7
526.22363	13.2
526.30573	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	526.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48428	0.9
55.01862	1.2
67.05480	1.2
67.96531	0.9
69.07043	1.5
69.91013	4.2
79.05484	3.7
81.03423	1.0
81.05805	1.0
81.07033	1.7
82.06566	1.4
85.02925	1.2
91.05485	4.9
93.07047	11.1
94.06563	9.9
95.04932	1.5
95.07355	13.6
95.08595	1.9
96.08128	26.9
97.06516	3.0
99.11077	0.9
103.05481	1.7
107.04976	4.7
108.08120	14.6
109.08892	1.9
110.03553	0.8
110.09679	49.9
120.08099	28.3
121.06479	1.3
121.10170	1.5
122.06054	1.1
123.06767	1.4
124.07573	1.5
136.07596	4.4
137.05963	1.3
138.09134	51.8
148.07571	7.7
166.08638	82.0
167.07069	1.0
167.09076	1.1
172.03888	1.3
172.86731	0.9
190.04939	1.4
199.08673	3.5
200.09377	1.6
201.10185	1.0
204.06590	2.8
207.06465	1.0
211.08611	6.7
212.09500	1.9
213.06650	2.3
213.10217	5.8
224.09360	0.9
225.06561	2.1
225.10182	5.2
227.08220	1.3
227.11732	4.8
229.09709	2.7
235.08958	1.2
237.10358	1.0
239.08093	1.7
239.11775	5.6
240.08905	1.9
240.69627	0.9
241.09700	3.6
245.12859	14.0
251.11876	1.1
251.83575	1.1
252.08908	1.1
253.09738	5.8
254.10457	1.2
255.11313	13.9
259.29196	1.0
267.11273	10.3
268.11975	1.7
273.12347	2.2
283.10754	12.9
285.12302	5.5
287.10339	1.4
295.10822	5.6
297.12329	1.9
299.10242	1.6
301.11847	26.3
311.10196	1.7
313.11813	26.3
313.15466	1.5
323.10254	6.3
325.11679	3.2
329.11313	22.2
341.11292	9.7
343.12927	1.6
355.12756	1.1
361.13928	100.0
362.14490	1.3
373.13870	8.0
448.18689	2.0
452.18164	1.4
466.19879	4.7
476.18039	2.9
480.21072	1.0
494.19189	18.0
508.20944	10.8
512.36902	1.0
526.21954	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	525.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
58.26415	0.2
69.03429	1.6
69.70036	0.5
69.70452	1.2
70.06577	0.3
72.91815	0.3
81.03400	0.6
85.02892	1.1
91.05440	0.4
95.01279	0.3
98.20773	0.5
101.02404	0.3
101.26326	0.3
107.04954	0.4
109.02885	0.4
115.05473	0.9
117.07013	2.0
119.04989	0.3
121.10139	0.4
123.04501	0.3
124.07569	0.3
127.03890	0.3
137.09668	0.3
143.07317	0.9
144.08080	100.0
145.06483	0.3
145.08408	1.0
153.01813	0.8
161.10742	15.9
165.09015	0.4
167.10652	0.4
209.84966	0.3
225.14864	0.4
300.99841	0.4
367.04504	0.6
379.04666	0.3
387.11633	0.4
395.03931	1.5
423.03510	1.6
489.14667	0.4
507.16397	0.6
525.16412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01858	2.7
55.05240	1.0
55.05511	17.0
57.03444	3.8
57.07076	1.0
58.22002	0.7
62.43413	0.6
65.03933	1.8
67.05505	24.0
69.03447	0.8
69.07072	11.1
70.55909	2.0
71.04983	2.1
77.03894	0.7
79.05492	17.7
81.03413	1.4
81.07055	23.1
83.04961	2.0
83.08625	7.7
85.06541	1.6
85.83208	0.7
91.05480	20.0
93.07043	14.5
95.04960	3.0
95.08613	14.3
97.06533	2.3
97.10166	2.9
99.08067	0.9
103.05482	1.1
105.07027	18.7
107.04966	1.4
107.08598	6.7
109.06519	1.8
109.10156	8.0
111.08087	1.1
112.57436	0.7
115.05453	2.7
117.07014	10.3
119.07810	1.2
119.08586	11.7
119.66431	0.6
121.06484	1.1
121.10159	5.1
123.08103	1.0
123.11727	0.9
125.09608	2.6
128.06227	4.3
129.07007	15.1
131.08559	16.5
133.06433	0.6
133.10121	6.9
135.08070	1.6
135.11693	2.7
137.09636	1.4
141.07004	10.2
142.07767	5.0
143.08562	18.8
145.06503	0.8
145.10121	13.1
147.11703	4.0
149.09628	1.1
149.13162	1.1
151.11212	0.7
153.07016	2.9
154.07780	3.0
155.08553	20.9
156.09343	2.7
157.10127	19.3
159.08054	1.6
159.11659	6.6
161.09621	0.7
161.13246	1.3
165.07016	3.1
166.07758	2.5
167.08566	10.6
168.09352	3.6
169.10121	23.6
170.10863	1.3
171.08080	0.8
171.11690	13.9
173.09589	1.3
173.11987	0.7
173.13235	3.5
179.08485	4.9
180.09367	2.4
181.10127	15.2
181.11647	1.2
182.10890	1.7
183.11687	19.9
183.13246	1.1
185.09607	0.9
185.13275	9.0
187.11255	1.0
187.14795	1.8
189.11320	0.7
191.08543	1.4
192.09296	0.8
193.10158	6.8
193.11984	0.9
194.10867	1.1
195.11681	16.3
196.12454	1.5
197.13254	13.3
199.14772	4.9
201.12738	0.7
205.10156	2.6
206.10985	1.0
207.11691	7.1
208.12364	1.1
209.13258	12.2
209.15131	1.1
211.11299	0.8
211.14865	7.2
213.12791	1.0
213.16451	1.3
217.10173	1.0
219.11737	2.9
220.12405	0.9
221.13277	5.5
222.13948	0.9
223.14836	6.8
225.12749	1.1
225.16411	2.6
227.14354	0.8
231.17389	0.8
233.13307	3.2
234.61996	0.8
235.14793	3.4
237.12692	1.0
237.16406	2.9
239.14337	0.8
239.17986	1.6
247.14813	1.7
249.16437	2.2
251.17934	1.2
253.15833	0.9
258.43420	0.8
261.16452	1.9
263.17902	1.6
265.19617	1.8
269.18823	1.0
275.17960	1.2
277.19412	1.3
279.17462	1.1
279.21008	1.4
281.19019	2.1
281.22421	0.7
283.17169	0.9
283.20502	1.1
285.18558	1.0
291.20877	1.3
293.19003	1.5
293.22293	0.9
295.20621	1.9
297.22223	1.1
299.20313	1.3
303.20920	1.1
305.19223	1.2
305.22614	1.5
307.20587	2.6
309.22137	2.4
311.20050	1.1
313.21725	1.4
319.20715	1.4
321.22052	3.5
323.23694	1.2
325.21857	1.6
327.23166	1.1
331.20450	0.8
333.22153	2.4
335.23663	3.8
337.21820	1.5
337.25308	0.8
339.23160	2.9
349.21317	0.8
351.23087	2.3
353.24792	2.3
359.23837	0.9
361.25339	0.9
365.24866	1.6
369.24121	1.0
377.24789	1.5
379.26483	1.1
391.25946	1.3
405.31744	1.4
415.29874	10.6
423.32471	0.8
427.28516	0.9
427.99817	0.7
433.31033	25.7
444.78006	0.7
451.32101	14.0
469.33063	5.6
471.32315	2.0
489.33597	3.7
507.34656	15.7
525.35754	100.0
526.36163	3.5
528.29181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	1.3
55.50277	0.4
56.05030	1.1
57.03433	1.1
57.07073	4.7
58.06616	1.4
59.52971	0.4
60.08163	17.0
61.79598	0.4
66.67576	0.4
67.05511	2.5
69.07063	1.3
70.07697	1.9
71.07375	5.6
71.08622	3.5
79.05495	1.1
81.03419	1.9
81.07059	3.4
82.03761	0.5
83.08618	1.9
85.02898	0.6
85.10180	1.4
85.55540	0.3
86.09705	50.0
91.05479	1.1
93.07042	1.2
95.04974	1.0
95.08602	3.1
97.10143	0.4
98.98460	3.8
104.10740	98.0
105.06987	0.8
109.10153	1.4
122.95316	0.4
123.11685	0.5
123.91365	0.4
125.00001	25.8
129.06982	0.4
133.10049	0.5
143.84726	0.4
147.11607	0.6
157.10138	0.6
163.01497	0.5
175.11133	0.5
184.07336	100.0
185.07693	0.5
193.12207	1.3
194.12596	1.3
208.36008	0.4
211.13362	1.0
212.13640	0.9
258.10956	1.2
268.16122	0.4
314.27686	0.8
341.30453	1.5
506.36069	9.1
524.36951	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.07069	3.0
59.05013	3.0
60.04528	4.0
67.05502	13.2
68.05853	1.8
69.03431	4.1
69.07063	6.2
71.04987	12.8
71.52413	4.6
78.90560	1.8
79.05495	12.9
81.03415	8.0
81.07060	48.9
82.07369	2.1
83.04972	3.0
84.04474	2.1
85.02912	5.4
85.06566	4.2
86.06067	2.6
87.04483	2.1
91.05478	10.8
93.07043	20.0
95.04952	16.1
95.08611	19.1
97.02901	3.0
97.06541	11.0
97.10165	2.6
103.05475	4.4
105.07019	8.7
107.04945	7.3
107.08591	9.5
109.02861	4.1
109.06503	4.1
109.10150	4.8
111.04417	5.2
111.11682	2.3
119.04943	4.2
119.08569	3.5
121.02880	2.5
121.06535	5.2
121.10139	100.0
122.10489	2.4
123.08074	4.3
123.11701	33.3
125.06007	12.9
127.03876	2.1
131.04922	13.3
131.08543	2.5
133.10155	2.8
135.11702	4.7
137.06001	7.5
139.11168	27.0
143.10669	3.3
145.10008	2.1
146.10449	2.2
147.04414	4.1
147.11705	3.5
149.05994	2.1
149.09584	13.4
151.03894	3.7
151.07552	2.7
151.36938	1.9
153.85085	1.9
165.06975	5.4
165.09061	2.2
167.10678	71.5
175.03958	4.3
175.07619	2.1
177.05490	4.0
177.09161	2.1
183.13823	2.3
185.06052	3.4
185.11726	47.5
190.77661	1.8
197.05977	3.0
200.60402	2.1
207.06569	10.1
227.07013	4.0
230.11696	4.5
251.07083	3.8
329.15884	2.8
348.07776	5.5
361.08902	2.8
362.07465	7.3
388.19989	2.2
506.19421	2.1
524.10364	2.6
525.13074	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	524.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.5
56.82894	8.0
57.03413	8.8
67.05493	12.8
69.03425	23.1
69.07072	9.4
70.06582	27.6
71.04982	17.7
71.51099	10.8
77.89473	7.7
78.72585	6.8
79.05472	18.8
81.03370	14.7
81.07042	27.2
83.04960	17.0
84.99198	9.0
85.02903	32.7
87.73948	7.2
91.05472	18.9
93.07037	17.6
95.04961	14.0
95.08608	13.2
97.06512	10.8
103.05467	13.4
105.07042	20.5
107.04958	74.1
107.08598	26.0
109.02873	21.2
109.06515	9.6
109.10122	19.6
115.05365	8.1
119.04928	12.2
119.08543	17.7
121.06491	14.4
121.10146	24.8
123.08083	10.6
123.11703	11.6
127.03886	14.2
131.04918	34.7
132.65833	7.4
133.10110	33.3
134.10469	23.9
135.04453	9.4
135.08075	10.8
137.05974	100.0
137.09605	32.6
138.09151	30.9
147.04402	16.9
147.11684	15.4
149.06033	12.4
151.07574	20.8
153.01804	57.9
154.02155	14.5
156.10213	34.5
160.07593	14.2
161.05963	12.9
163.03864	9.8
163.07506	53.3
165.09088	47.0
165.12624	8.5
175.03947	9.7
175.11244	11.7
177.05472	19.3
177.09219	13.7
179.03474	13.4
180.03671	14.8
181.04984	11.2
184.03343	8.5
189.09108	8.1
189.12724	8.1
191.14325	14.0
192.14609	15.3
195.08112	9.7
207.06570	35.5
207.10201	16.4
217.12392	11.1
235.13249	9.8
253.14391	15.9
255.10587	7.7
297.11679	9.5
313.14185	8.9
327.15982	11.2
331.15268	26.1
362.12054	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	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10039	2.3
53.03934	3.3
55.05500	5.1
59.04985	2.5
59.96524	1.9
65.03922	2.5
66.43391	1.7
67.05490	4.4
68.14473	1.7
69.03420	4.5
69.07065	3.2
69.57968	5.2
69.58390	7.0
71.65626	1.7
79.05479	5.6
81.03423	9.5
81.07036	6.3
83.04974	3.0
85.02892	7.2
85.06538	3.7
91.05477	12.1
93.07043	6.0
94.07361	2.6
95.04964	7.8
95.08595	8.1
96.08128	3.0
97.02897	4.2
97.06540	1.9
98.21503	3.9
103.05453	2.5
105.07020	30.2
107.04917	5.1
107.08578	10.3
108.08101	4.1
109.02897	6.6
109.06533	9.7
109.10184	3.1
110.09657	7.7
111.10011	2.4
117.07017	3.1
119.08582	38.6
120.08084	5.3
121.02859	100.0
121.06482	2.1
121.10127	12.8
123.08052	7.2
123.11700	3.7
124.03857	2.0
125.05994	2.3
127.03914	5.6
129.06996	1.9
130.15942	1.9
131.04901	5.1
131.08560	4.4
133.06503	2.6
133.10150	2.2
135.04391	2.3
135.96985	1.8
136.07562	3.8
137.05975	6.9
138.09122	7.4
139.03915	25.9
139.09453	2.6
140.66983	1.7
145.04965	2.2
145.10123	11.6
147.11681	51.6
149.09573	4.9
151.07542	2.0
152.07065	5.2
153.01822	3.9
154.02158	3.2
156.09312	2.5
163.11174	4.2
165.12753	5.2
166.08635	9.4
167.09003	3.7
167.10550	2.9
171.11716	2.8
175.07530	2.3
177.05501	3.6
178.05014	5.9
181.05025	2.4
189.12724	27.1
204.06578	4.5
204.56735	1.7
205.06880	4.2
206.07031	2.6
207.06436	2.6
207.13797	26.0
210.15756	3.1
237.09836	1.7
247.06018	2.5
249.10010	5.3
250.10670	4.4
251.11168	3.7
252.12082	4.2
253.12347	1.8
263.11691	8.9
264.12177	7.3
265.07025	14.7
265.09506	2.1
265.12704	6.9
266.10080	2.1
266.13559	3.4
267.11169	3.7
279.10925	4.4
280.11536	5.5
281.11942	4.4
283.08118	54.1
284.07886	2.2
284.11163	2.5
285.12195	2.6
291.11359	2.3
292.11621	5.0
293.12195	5.9
294.13031	6.3
295.13522	5.2
297.12216	3.6
298.12476	4.0
309.12149	2.8
310.12729	5.3
311.12903	5.4
320.10995	3.9
321.10992	2.9
326.11960	3.2
327.12277	3.9
337.11826	9.1
338.12173	14.4
339.12424	21.3
370.14899	2.6
371.14984	5.6
448.20938	3.3
451.20459	3.0
464.20645	2.9
474.19336	2.7
492.20685	20.4
524.23090	9.4
524.30957	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	524.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	9.1
55.05512	9.1
57.03432	8.7
66.81087	6.8
67.05483	14.9
69.03416	18.6
71.04974	38.1
71.52241	17.8
78.21880	7.8
79.05485	19.7
81.03407	18.8
81.07051	25.0
83.04994	7.8
85.02904	67.0
91.05476	33.3
93.07033	24.2
95.04958	12.5
95.08584	15.5
97.06492	10.4
103.05507	8.7
105.07039	22.8
107.04954	42.7
107.08595	27.7
109.02891	20.4
109.10147	19.7
111.04535	10.8
119.04946	24.4
119.08617	12.4
119.23607	8.1
121.06481	23.0
121.10120	22.2
123.08068	11.0
125.05979	8.9
126.24876	9.6
127.03918	15.4
129.05522	13.6
131.04930	31.7
133.10126	59.4
134.10474	27.6
135.08076	14.2
137.05971	100.0
137.09622	50.4
138.09119	23.1
147.04448	10.5
147.11652	15.0
149.05936	9.5
149.13300	12.7
151.07539	56.5
152.02499	7.9
153.01814	69.7
154.02147	26.5
156.10201	35.3
161.05977	18.9
163.03897	13.6
163.07568	35.6
175.03923	14.9
175.07448	10.6
177.05505	12.4
177.09082	20.5
189.09163	21.8
191.14250	25.7
192.14604	18.9
207.06583	25.2
207.67387	9.2
211.13449	11.1
217.12239	13.9
227.10652	13.8
235.13327	18.3
253.14392	22.5
255.10249	15.5
287.12677	14.9
313.14340	18.2
315.07190	8.4
327.15961	15.3
331.15314	89.2
343.15454	12.0
370.74384	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
53.23624	4.9
55.05494	23.2
57.03429	21.2
57.07070	51.8
67.05486	44.7
69.07050	21.8
70.94430	4.3
71.08631	33.9
71.51591	7.0
71.91174	4.2
79.05480	21.7
80.04349	4.3
81.03413	100.0
81.07052	47.5
82.07365	6.0
83.04961	8.3
83.08596	27.8
85.02922	8.0
85.10177	20.1
86.09705	6.4
91.05481	38.7
93.07027	29.0
95.04953	29.8
95.08602	36.2
97.10154	7.7
103.05443	8.0
104.10734	7.7
105.07018	29.2
107.04941	8.0
107.08585	14.6
109.06459	5.6
109.10146	24.3
111.08080	7.8
117.06974	9.8
119.08568	20.2
121.06456	7.6
121.10131	11.8
123.11657	11.3
129.06990	8.0
131.04918	10.4
131.08566	18.8
133.10097	12.4
141.07008	5.7
143.08524	5.5
147.11691	17.5
149.09616	8.8
157.10098	20.1
161.13179	6.5
165.24339	4.9
167.03357	5.1
169.10132	7.4
173.13261	5.0
175.11209	12.2
175.79688	5.2
178.55586	5.5
179.03375	19.9
181.04967	89.6
181.08527	7.3
184.07352	6.5
193.12244	69.6
197.04478	6.5
203.17870	9.4
209.08087	47.3
211.13278	17.0
239.23653	6.6
267.15878	76.5
283.09625	5.1
283.24655	4.7
285.11295	13.8
313.27368	73.7
323.58594	6.1
413.75436	5.5
418.99524	5.8
505.38846	46.6
523.40332	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.2
57.03437	23.2
57.07071	64.7
67.05498	39.4
69.07062	15.2
70.69125	3.8
71.08626	43.3
79.05485	25.3
81.03418	100.0
81.07042	41.0
83.04971	8.3
83.08614	36.3
85.02896	22.1
85.10179	25.9
91.05473	29.8
93.07037	19.6
95.04955	32.7
95.08611	41.6
97.10183	4.6
105.07002	21.5
107.04939	5.8
107.08583	8.8
109.10148	21.8
111.08078	11.9
113.06057	5.6
115.48384	4.1
119.08564	15.9
121.10158	9.8
123.11652	8.1
125.13284	4.2
129.06990	10.0
131.08572	13.0
133.06453	5.2
133.10068	6.4
142.14169	3.8
147.11691	9.6
157.10147	10.8
175.11214	13.6
193.12257	46.3
211.13255	36.6
238.43292	4.8
239.23711	8.0
267.15945	47.9
280.62573	4.8
313.27356	55.7
327.29520	4.2
427.87787	4.3
505.38831	25.2
523.39880	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70327	0.9
53.03937	1.9
55.01867	1.6
55.05509	10.6
55.40212	0.8
57.03441	4.1
57.06793	1.8
57.07073	31.2
57.50559	0.9
59.05010	1.0
65.03945	1.8
67.05502	26.1
69.03427	1.8
69.07066	9.2
69.26160	6.6
69.26575	1.7
71.04987	3.1
71.08627	23.1
79.05479	13.3
81.02932	2.0
81.03413	33.2
81.07055	27.5
83.04980	7.4
83.08617	23.2
83.51192	0.9
85.02902	15.7
85.06531	1.7
85.10180	14.4
91.05479	17.7
93.07042	10.4
95.04962	14.1
95.08601	24.8
97.02914	1.3
97.06506	1.9
97.10161	6.2
105.07024	10.9
107.04955	3.3
107.08588	3.6
109.06505	1.9
109.10158	11.6
111.08044	7.1
111.11724	1.7
113.05962	1.3
115.05476	1.2
119.08565	8.4
121.06528	1.3
121.10126	4.8
123.08115	1.2
123.11706	5.0
125.09660	1.2
125.13249	1.0
129.06999	4.3
131.08560	6.5
133.06516	1.1
133.10121	5.7
137.13281	2.1
142.07791	1.1
147.08102	1.4
147.11694	9.7
149.09616	2.8
157.10124	6.4
165.12782	2.6
175.11171	9.3
192.54837	0.9
193.10452	1.6
193.12239	40.5
211.13286	43.7
225.62611	0.9
239.23647	7.3
249.15038	1.0
267.15927	3.7
293.12567	1.1
313.27448	3.5
384.24866	0.8
505.38907	2.5
523.39917	100.0
524.40149	2.3
535.53375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01868	1.6
55.05507	21.0
57.03426	8.1
57.07073	52.3
61.82065	1.0
65.03948	2.0
67.05501	33.9
69.03425	2.8
69.07063	13.3
70.10928	2.1
70.11317	2.5
71.04987	3.9
71.08628	31.5
76.94938	0.9
79.05486	20.1
81.03413	47.3
81.07051	41.9
81.07529	2.2
83.04977	9.2
83.08614	30.2
85.02902	26.8
85.06521	1.8
85.10182	16.3
91.05473	21.1
93.07040	13.1
95.04961	19.2
95.08602	35.5
97.02869	2.6
97.06499	2.9
97.10163	9.2
99.08057	1.3
99.11719	1.0
105.07030	16.9
107.04948	3.9
107.08601	6.1
109.06518	3.6
109.10145	13.1
111.04440	2.0
111.08081	8.2
113.06016	2.8
115.05450	1.5
117.07015	1.6
119.08585	12.6
121.06478	1.1
121.10123	6.8
123.08078	2.0
123.11697	6.4
125.13279	1.2
129.07007	8.9
131.08533	5.1
133.06491	2.0
133.10094	6.0
137.09599	1.2
137.13268	2.2
142.07768	2.9
147.08044	2.4
147.11700	8.2
149.09642	4.0
151.11220	1.1
157.10126	7.5
165.12712	1.5
175.11185	12.8
193.10455	2.2
193.12238	44.9
211.13283	47.1
221.22787	1.7
239.23695	7.5
249.15059	1.4
267.15845	5.0
313.27243	4.4
395.43585	0.9
505.38867	3.3
523.39911	100.0
524.40240	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01854	1.2
55.05507	11.7
57.03432	6.2
57.06798	1.9
57.07073	32.2
67.05505	21.3
69.03400	2.1
69.07064	7.0
69.93805	2.2
69.94196	2.7
71.04983	3.0
71.08629	21.3
79.05482	11.7
81.03413	30.2
81.06596	1.7
81.07054	24.4
81.07528	1.4
82.71004	0.9
83.04964	4.4
83.08616	20.3
85.02905	14.7
85.06533	2.0
85.10174	11.0
91.05478	13.4
93.07018	8.2
95.04963	12.1
95.08606	22.0
97.06518	1.4
97.10168	4.8
105.07029	9.6
107.04952	2.7
107.08574	2.3
109.06543	1.3
109.10159	9.8
111.04433	1.5
111.08080	7.4
111.11691	1.9
113.06046	0.9
119.08584	7.9
121.10144	4.2
123.08046	1.1
123.11713	3.6
125.13251	0.9
129.07010	3.5
131.08536	4.9
133.06540	1.3
133.10121	3.3
137.13184	2.6
142.07780	1.8
147.11696	7.1
149.09607	2.4
157.10094	6.4
165.12651	1.7
175.11171	9.1
181.40895	1.0
193.10442	1.6
193.12238	41.1
211.13281	51.4
239.23709	6.1
249.14857	1.1
267.15924	2.7
285.16974	1.2
313.27374	4.9
395.61502	1.0
505.38556	1.8
523.39923	100.0
524.40588	2.7
538.26733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.04846	0.5
55.01863	1.4
55.05508	18.0
57.03160	0.5
57.03432	8.1
57.07073	47.5
59.04992	0.9
65.03934	1.3
67.05132	1.1
67.05502	34.4
69.03421	2.2
69.07066	14.3
69.53153	3.7
71.04989	4.0
71.08628	33.7
79.05489	19.7
81.03415	43.2
81.07050	40.4
82.36079	0.5
83.04977	7.4
83.08615	27.1
85.02901	25.0
85.06538	2.3
85.10178	17.6
91.05475	24.1
93.06479	1.0
93.07036	12.2
95.04967	20.8
95.08600	36.2
95.69003	0.4
97.02898	2.5
97.06522	2.9
97.10162	7.3
99.08072	1.2
99.11732	1.3
103.05441	0.8
105.07026	16.7
107.04964	4.3
107.08576	5.2
109.06519	2.7
109.10143	13.9
111.04447	2.3
111.08071	8.4
111.11684	1.1
113.06027	2.6
115.05447	1.0
117.06974	1.1
119.08575	14.1
121.06498	1.3
121.10138	7.1
123.04342	0.6
123.08064	1.7
123.11702	6.8
125.09662	1.2
125.13252	0.6
127.07527	0.6
128.06201	0.9
129.06999	7.1
131.04921	0.9
131.08562	8.0
133.06516	2.6
133.10118	7.1
135.11671	0.8
137.09619	1.5
137.13269	1.8
142.07793	2.7
142.17523	0.5
143.08643	0.5
145.10146	1.4
147.08046	2.5
147.11687	11.9
149.09610	5.2
151.14726	1.2
153.01923	0.5
153.05435	0.8
157.10130	9.9
165.12735	2.5
165.16290	0.7
175.11168	11.2
179.03439	1.6
181.04970	2.0
182.05296	0.5
185.74739	0.5
188.11058	0.5
193.12236	53.1
194.12529	0.7
197.04341	0.9
197.26416	0.5
209.08208	0.6
211.13278	56.2
212.13730	0.7
221.22641	0.8
223.12946	0.5
229.14249	0.6
239.23685	8.4
249.14935	1.5
267.15842	6.9
299.09213	1.0
313.27322	7.7
505.38974	4.4
523.39923	100.0
524.40424	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	523.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01849	1.8
55.05495	3.4
57.03421	2.0
57.07075	5.8
65.03933	1.4
66.78281	0.8
67.05511	5.8
69.07049	2.3
69.19830	9.6
71.08620	3.5
79.05470	3.8
81.03424	8.7
81.07045	8.6
83.08611	3.1
85.02886	0.9
85.10180	2.1
86.09697	1.7
91.05477	6.1
93.07025	3.1
95.04971	4.5
95.08615	5.4
97.10119	1.5
99.77817	0.9
103.05445	1.8
104.10735	2.0
105.07006	3.5
107.04932	1.1
107.08569	3.0
109.10143	4.1
117.06990	1.8
119.08568	3.8
121.10137	3.4
123.11777	1.1
125.05957	1.0
127.85654	1.0
128.11427	0.9
129.07013	2.2
131.04916	2.4
131.08563	1.9
133.10124	2.8
138.03131	2.6
145.10141	1.7
147.11685	3.2
151.03827	1.1
153.05405	1.6
154.59621	0.9
155.07047	2.1
157.10121	2.3
159.11652	1.0
166.02516	1.5
167.03349	1.1
167.06999	2.5
173.13284	0.9
175.14864	1.0
177.16367	1.0
179.03394	3.2
181.04938	100.0
181.08476	2.9
182.05289	2.5
183.06540	4.3
183.07909	0.9
184.03650	2.3
184.07362	2.3
193.12250	6.2
197.04424	1.2
201.16531	1.0
209.08084	9.4
211.13293	1.2
215.82388	0.8
267.15863	7.0
283.09662	1.4
285.11127	2.3
305.22729	2.0
313.27304	6.6
333.22061	0.9
351.22894	0.9
505.29288	1.9
505.38708	2.7
523.15869	1.2
523.38940	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	523.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.02604	2.2
57.03419	2.2
61.87809	1.8
69.03424	4.9
70.66995	4.3
70.67346	3.5
71.04991	2.3
80.92150	1.8
81.03410	1.7
85.02880	3.9
97.02881	3.7
125.08731	2.4
146.05843	1.9
147.04361	2.4
160.07573	3.1
168.06516	2.3
170.06004	3.1
176.06848	1.7
197.10844	4.1
199.08620	10.6
199.12312	2.1
200.09285	3.3
211.08632	14.5
211.12320	3.4
212.09460	5.9
213.06546	2.5
213.10194	13.5
214.10957	3.9
225.06676	4.1
225.10213	16.5
226.07372	13.3
226.10971	7.7
227.08214	12.1
227.11751	10.4
229.09727	5.6
231.07747	11.4
237.10251	5.9
238.11073	3.2
239.08183	6.6
239.11794	11.9
240.09004	5.4
240.12488	9.1
241.09694	18.3
241.13356	3.4
242.10371	9.3
243.11165	2.3
245.12843	9.4
249.10242	2.5
251.11853	4.9
252.08775	2.4
252.12585	2.1
253.09743	16.9
253.13367	2.6
254.10391	11.9
255.07591	3.5
255.11232	21.5
257.12857	8.8
265.09741	6.6
267.08301	2.6
267.11243	25.9
268.12048	16.0
269.09286	6.1
269.12866	7.3
271.10803	4.6
277.09702	3.8
279.11310	5.3
280.12164	2.4
281.09332	6.9
281.12878	6.7
282.10019	5.5
283.10754	11.8
284.11374	3.3
285.08664	4.7
285.12375	11.3
289.09900	2.2
291.11279	2.3
293.09351	3.5
293.12869	3.7
295.10760	18.9
296.11600	8.3
297.08826	4.7
297.12415	14.8
299.10190	8.0
299.13651	3.1
300.11069	4.9
301.11862	21.0
307.10797	4.1
307.14346	2.9
309.12411	4.8
311.10275	3.7
313.08337	3.6
313.11737	47.2
314.12503	10.1
315.13397	2.6
321.08835	4.6
321.12344	4.7
321.97977	2.2
323.10306	9.1
323.13766	3.6
325.11859	8.5
327.10013	2.8
327.13208	8.9
329.11404	4.8
335.13974	4.1
337.11847	2.9
339.09845	6.7
339.13510	3.9
341.11310	20.6
342.12204	16.9
343.12726	5.7
345.14450	2.4
349.11871	2.3
351.13422	4.7
353.11166	2.8
353.15082	5.1
355.12946	14.1
357.10834	5.7
359.12366	2.9
361.13638	6.5
363.13434	6.9
367.12900	7.4
369.10760	3.2
371.12509	5.1
373.13992	20.7
379.12878	10.4
381.14651	10.4
383.12424	4.1
385.14267	3.5
391.12869	7.2
397.13730	3.7
399.15643	9.2
401.13315	21.9
409.13956	29.0
411.15628	2.8
413.13370	5.8
417.16547	3.4
425.13428	13.2
427.15073	18.0
429.12201	9.7
433.16260	2.8
437.13269	8.9
445.16037	42.3
455.14502	39.2
457.16101	9.1
463.17081	15.3
469.16003	12.8
473.15543	85.2
487.17209	19.9
489.76935	1.9
491.16574	40.9
505.18167	99.3
523.19214	100.0
524.19098	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	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84632	0.2
53.19246	0.2
55.05510	0.9
56.05033	0.7
56.35015	0.2
57.03429	0.3
57.07079	0.3
58.06177	0.2
58.06612	0.4
60.08162	5.7
62.25776	0.2
66.35796	0.2
67.05494	1.3
68.05835	0.2
69.07068	1.0
70.99357	0.4
71.07368	3.2
73.51126	0.3
73.72762	0.2
79.05489	0.5
81.03439	0.3
81.07046	1.1
83.08617	0.5
85.02902	0.2
86.09704	30.3
89.41770	0.2
89.92423	0.2
90.25520	0.2
91.05464	0.5
93.07039	0.6
94.07367	0.3
95.04965	0.4
95.08620	0.8
97.10144	0.4
98.98458	3.1
104.10738	3.0
105.07027	0.4
107.08625	0.6
108.08891	0.2
109.10149	0.4
119.08575	0.6
121.10116	0.5
124.99998	20.2
131.04944	0.5
135.11742	0.3
136.20541	0.2
149.09583	0.2
155.08504	0.2
157.10027	0.2
166.02713	0.2
179.03372	0.6
181.04945	0.9
184.07335	100.0
185.07674	0.7
193.05003	0.2
193.12213	0.3
194.12564	0.2
211.13240	0.2
287.05051	0.3
301.06985	0.7
302.07596	0.5
313.07059	0.7
314.07220	0.6
409.40756	0.2
499.82965	0.2
504.34680	1.0
505.63525	0.2
522.36066	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	522.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60401	0.9
53.03943	2.9
55.01868	2.1
55.05507	2.1
56.05021	0.9
57.03444	2.3
58.06583	2.9
61.02919	3.6
67.05498	3.1
69.03436	7.5
69.07041	1.6
70.06599	1.5
71.04980	3.8
71.50361	1.4
72.04514	10.1
73.02905	3.4
79.05492	2.9
81.03401	4.6
81.07034	6.3
83.04956	1.4
85.02901	23.1
88.76806	1.0
91.05477	3.6
93.07066	6.7
95.04944	2.2
95.08604	4.6
97.02894	8.0
97.06519	2.3
103.05453	2.5
105.07011	3.4
107.04948	34.1
107.08591	4.5
109.02880	5.1
109.06509	1.6
109.10155	6.9
115.03925	1.7
119.04922	1.1
119.08573	4.5
121.06487	6.2
121.10131	4.0
123.04430	2.1
123.08050	3.5
123.11707	1.8
123.49048	0.9
125.06010	1.5
127.03912	7.3
127.07569	1.0
129.06970	1.9
131.04916	9.0
133.04996	1.5
133.06493	2.1
133.10114	3.2
135.04419	2.1
135.08080	1.5
135.11705	5.7
137.02303	1.1
137.05981	10.7
137.09633	6.6
138.06323	1.6
139.03854	1.0
139.07458	1.1
139.11166	1.2
145.05046	5.2
145.06429	5.4
146.07263	56.3
147.04388	2.7
147.08060	5.9
147.11670	1.7
149.05975	3.4
149.09593	1.8
149.13283	1.5
153.01750	2.5
153.12717	1.3
159.08072	2.0
161.05980	6.3
161.09615	3.3
163.03906	1.7
163.06171	2.1
163.07503	10.5
167.07065	1.6
175.03885	1.5
175.07436	2.1
175.14842	3.6
177.05469	1.2
177.09142	3.0
179.08566	1.1
180.08627	2.3
181.04979	1.5
183.10133	1.8
187.45648	1.1
189.09262	2.0
193.04939	1.2
193.12192	1.6
193.15836	7.3
199.11058	1.1
201.09059	2.1
205.08652	2.1
207.06425	1.4
207.08183	1.8
207.10077	1.2
208.06805	1.4
211.11156	1.8
217.12263	2.6
219.06502	1.1
219.10184	3.6
221.09683	3.1
228.16048	1.2
229.08653	7.5
235.07530	1.5
235.13234	2.3
239.10674	3.1
241.08594	3.8
249.09108	4.1
253.14293	3.8
259.08060	1.8
267.10150	21.8
283.09680	1.1
307.13428	4.9
325.14331	100.0
326.14603	3.6
341.13751	2.2
342.13980	1.3
382.70224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01869	3.3
55.05492	2.6
57.03423	5.8
61.02922	5.0
67.05476	3.1
69.03429	18.7
69.91503	8.1
69.91917	5.9
71.04993	3.3
73.02895	2.6
79.05487	3.7
81.03412	10.2
81.07060	5.1
85.02901	51.4
85.06538	5.0
91.05479	14.6
93.07030	6.6
95.04967	4.9
97.02880	17.0
98.20817	2.7
99.04488	2.4
103.05466	9.1
105.07004	9.0
107.04949	72.3
107.08592	4.9
108.05737	11.3
109.02859	7.9
109.06524	3.8
115.05472	4.0
117.07024	7.7
119.04986	3.3
119.08558	3.1
121.06487	28.8
121.10139	5.1
122.03668	3.4
122.06811	2.4
123.04421	4.9
127.03921	9.2
129.06964	2.9
131.04938	23.1
133.06482	14.0
133.10167	3.0
135.04428	6.4
135.08052	5.8
136.07558	2.8
137.05988	29.4
143.04886	3.1
145.04964	6.9
145.06474	20.5
146.07265	100.0
147.04475	4.6
147.08057	58.1
149.05939	7.0
149.09612	3.0
151.03908	2.7
151.06386	4.3
151.07500	21.8
157.06494	10.5
159.08028	9.1
161.05937	4.5
161.09586	10.6
163.03949	4.7
163.07516	31.1
167.07030	4.4
171.08046	5.0
175.07552	88.2
177.09099	4.9
179.07054	2.7
183.08031	7.5
186.10399	6.0
189.09059	9.5
193.08604	55.9
201.09082	9.1
205.08615	18.6
207.08228	3.8
207.10153	8.2
219.10120	3.5
221.09669	4.8
229.08612	37.1
235.07527	6.9
239.10675	4.3
241.08517	11.7
249.08955	3.8
252.07910	3.1
260.07950	2.3
267.10138	36.3
275.10699	2.9
283.09708	5.5
283.13232	3.3
295.13208	13.7
307.13284	39.3
313.14304	24.3
325.14334	99.0
326.14716	3.2
343.15378	57.3
374.87851	2.7
390.92194	2.4
472.15964	2.3
504.19501	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	522.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19510	1.9
53.03944	4.9
53.28640	2.1
55.05513	5.0
56.65197	1.8
57.03433	4.2
60.34687	1.8
67.05503	7.6
69.03438	11.0
69.07069	3.9
70.91140	5.1
73.56046	2.1
75.04472	7.0
79.04605	1.9
79.05489	21.3
81.03419	9.0
81.07069	10.1
85.02892	6.8
91.05496	12.0
93.07043	84.4
95.04984	9.2
95.08613	8.5
97.02890	9.6
105.07045	12.8
107.04945	4.5
107.08594	19.1
109.02890	4.8
109.10159	9.2
111.04427	2.7
111.08079	6.0
113.32999	2.1
117.07005	3.3
119.08566	15.5
121.10143	100.0
122.10554	2.1
127.03923	4.3
129.05473	2.5
131.04901	2.2
131.08574	5.3
133.10150	3.2
137.05965	6.0
137.09627	3.4
139.11189	4.4
149.09619	23.5
161.05992	7.5
167.10695	24.6
175.03908	3.4
177.05449	5.5
189.05469	27.3
201.05415	3.7
205.41713	2.3
207.06548	2.9
213.05411	14.8
227.07095	2.9
229.08746	3.4
255.06540	4.9
266.93921	2.2
267.06558	6.6
276.93103	2.2
293.13934	3.6
297.15091	2.6
311.14847	7.0
325.14450	5.0
451.17886	2.4
491.47275	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	522.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.0
55.05495	3.0
57.03428	3.0
57.38314	2.4
58.06608	4.0
58.97620	2.7
61.02925	6.8
65.03934	5.2
69.03417	18.1
70.06358	11.2
71.04990	5.8
73.02906	3.6
79.05505	5.3
81.03412	13.6
81.07076	5.1
85.02387	4.0
85.02897	58.1
85.06586	2.7
91.05479	19.5
92.05827	4.7
93.07050	8.2
95.04972	8.7
95.08598	6.4
95.44198	2.6
97.02894	21.1
97.06542	3.9
98.21462	2.9
99.04443	6.1
103.05450	6.3
105.07026	7.3
106.07321	4.0
107.04951	63.7
107.08561	3.9
108.05728	13.0
109.02873	9.9
115.05512	5.2
117.07021	4.3
117.09162	3.1
119.04958	12.9
119.08571	6.2
120.05260	4.8
121.06512	29.0
121.10133	4.7
123.08108	3.8
127.03932	12.4
131.04922	24.4
133.06487	8.8
135.04475	4.2
135.08041	5.8
137.05986	24.6
137.09604	4.5
143.04942	4.6
145.04973	9.5
145.06488	20.4
146.07263	92.9
147.04425	14.0
147.08041	53.4
148.04691	3.2
149.05966	5.4
151.03819	3.8
151.07571	17.0
153.01805	25.9
154.02170	8.4
154.04799	3.1
155.08566	4.0
157.06487	9.2
159.08058	12.1
160.05338	3.3
160.40039	3.3
161.05969	8.5
161.09624	13.4
163.03868	4.3
163.07539	39.3
163.11032	3.0
166.08655	4.1
171.08073	3.6
171.34222	3.3
175.03928	10.4
175.07547	85.2
176.04292	5.3
177.09186	4.5
178.04892	4.0
180.08681	4.8
183.08026	8.8
183.09808	2.8
186.10414	5.0
189.09149	7.9
193.08612	57.9
201.09100	9.5
205.08586	26.1
207.06450	17.0
207.10158	7.6
208.06894	14.8
221.09616	3.8
228.15962	4.3
229.08603	32.1
235.07581	4.8
239.10707	5.9
241.08600	10.7
263.10602	2.8
267.10159	45.4
271.09406	2.9
283.09659	6.5
283.13174	4.3
295.13293	13.0
307.13260	34.8
313.14273	25.7
325.14359	100.0
326.14517	4.3
343.11514	5.7
343.15399	62.1
455.17023	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	522.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69027	3.4
53.03931	4.0
55.05510	4.3
57.03418	7.7
58.51708	3.2
67.05484	9.4
69.03429	27.7
69.07054	15.1
71.04986	5.7
71.51469	4.4
73.02924	3.9
79.05496	22.1
81.03414	14.7
81.07049	44.5
82.07413	4.4
83.08611	4.3
85.02902	23.5
87.04471	17.3
91.05471	16.5
93.03329	3.2
93.07030	49.0
94.49339	3.2
95.04953	9.0
95.08588	13.5
97.02877	25.0
97.06500	6.5
98.12690	3.3
102.05531	7.2
105.07024	11.7
107.08611	16.2
109.02867	11.7
109.06507	7.3
109.10133	13.1
115.03927	18.8
119.04958	6.3
119.08585	10.3
121.06514	3.8
121.10135	45.4
123.08021	7.2
123.11695	17.3
125.05963	4.0
131.08623	3.8
133.04974	18.8
133.10112	13.4
134.93767	3.9
135.11652	12.5
137.05995	4.7
137.09668	3.9
139.11206	7.5
145.04929	5.3
145.10110	4.5
146.08064	6.0
147.04425	11.0
147.11719	6.2
149.09612	100.0
149.13226	6.9
151.11145	13.3
153.01807	4.1
167.10661	37.6
175.03886	14.1
175.11121	3.9
175.14780	19.8
176.04224	3.6
177.05432	7.2
193.15863	30.5
207.06441	17.8
208.06824	13.1
210.14885	5.1
211.16927	58.6
228.15938	56.0
267.06543	9.0
293.13876	12.4
311.14856	20.5
329.15961	10.4
483.52097	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01853	1.1
57.03428	2.2
61.02927	2.6
67.05488	0.8
68.05427	0.4
69.03429	7.3
71.03241	0.5
71.03572	0.8
71.04983	0.9
73.02886	1.0
77.38388	0.4
79.05477	1.0
81.03397	2.3
81.07049	2.1
83.08631	0.5
85.02902	21.5
87.04462	1.0
91.03955	1.2
91.05461	1.8
93.07077	0.7
95.04978	1.1
95.08586	0.9
97.02882	7.1
97.06513	0.9
97.85493	0.5
99.04440	1.0
99.08086	7.0
103.05465	5.7
105.07050	1.0
107.04948	5.7
107.08575	1.4
109.02852	1.9
109.06509	0.9
115.03918	1.2
115.45841	0.5
117.61216	0.5
119.04935	5.6
119.08564	1.5
120.05608	0.4
121.06497	1.7
121.10140	0.5
122.70427	0.5
123.04411	2.3
123.08030	0.5
123.11693	1.3
124.05200	1.7
127.03921	3.8
128.06250	0.5
129.07047	1.1
129.81950	0.5
131.04913	9.5
132.05705	1.0
133.04958	0.8
133.06493	0.8
133.10141	1.1
135.04378	0.6
135.11700	0.9
136.05191	0.5
137.05971	10.6
137.58405	0.4
138.06589	0.5
143.04910	3.2
143.08437	0.5
145.04962	4.2
145.06421	0.7
147.04410	10.4
147.08049	3.7
148.05205	0.6
149.06038	0.8
150.09125	1.5
151.11145	1.1
153.05434	1.6
157.06448	1.6
161.05930	1.7
161.09612	1.3
162.06744	2.1
163.07539	12.8
167.06976	1.5
171.08005	1.1
172.08813	0.9
173.09627	0.5
175.07541	3.3
175.14832	1.4
176.08275	0.7
177.05481	0.7
177.09114	0.6
179.07037	9.4
179.08533	0.9
180.08672	1.8
185.05984	0.8
189.09114	4.9
193.15878	2.8
199.07440	0.6
203.10649	1.3
203.14285	0.5
204.06485	0.9
204.11452	4.7
207.08275	0.9
207.10135	22.9
208.10580	0.5
211.16901	5.6
213.05388	1.3
215.07022	0.5
223.07727	0.5
223.09589	2.6
225.09114	1.3
226.06104	0.5
227.06998	2.9
230.05754	1.2
234.06859	0.6
235.07491	3.0
245.08090	16.3
251.06989	1.0
252.08002	0.5
253.08603	5.9
257.08075	2.8
265.12332	0.9
275.10513	0.5
283.09930	0.9
293.11679	0.7
325.14304	11.5
326.14651	0.6
334.23825	0.5
343.15372	100.0
344.15674	2.9
360.18179	1.9
361.09125	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
55.05510	9.7
57.07070	27.3
59.84455	1.9
65.03896	1.7
67.05507	18.6
69.07066	12.2
71.04967	4.2
71.08630	18.9
71.51366	2.5
74.81428	2.1
79.05488	17.5
81.07052	27.0
83.04973	2.6
83.08616	13.3
85.10174	8.8
88.23938	1.9
88.84756	1.8
91.05458	6.8
93.07040	32.5
95.04962	7.1
95.08601	40.2
97.02871	3.5
97.06521	3.8
97.10165	3.3
99.04437	4.3
105.07021	5.6
107.04939	5.7
107.08595	20.1
109.06564	2.2
109.10134	8.7
111.30936	2.5
117.06987	7.1
119.08569	8.4
121.06524	3.8
121.10113	7.5
123.11646	2.3
125.05933	2.2
135.11690	34.3
137.13293	3.0
145.10106	21.6
145.11188	2.8
163.11179	47.7
181.12215	12.4
203.50932	2.1
225.79172	2.3
227.12764	100.0
368.39392	2.4
521.38202	70.4
522.38635	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01840	3.9
55.05513	12.7
57.03396	2.7
57.03650	0.6
57.07079	24.2
58.55875	0.6
64.40471	0.6
65.03916	1.0
67.05506	24.8
69.03401	1.8
69.07069	11.8
70.08833	3.1
71.01346	0.7
71.04984	1.7
71.08633	18.6
77.03884	0.7
79.05491	21.4
81.03423	5.9
81.07055	28.1
83.04973	4.7
83.08621	16.7
85.02888	1.7
85.06532	1.5
85.10193	10.5
91.05004	0.7
91.05481	10.4
93.07047	28.5
95.04487	0.7
95.04971	8.0
95.08610	42.0
97.02847	3.2
97.06517	3.5
97.10166	5.4
98.21358	0.7
99.04417	2.6
99.08097	1.0
99.11718	1.0
103.05448	1.3
105.03363	2.6
105.07027	7.9
107.04956	9.5
107.07897	1.4
107.08595	21.5
109.06499	1.7
109.10156	10.3
111.04401	1.8
111.08091	1.2
111.11669	1.9
113.06046	0.7
117.07001	7.5
119.08587	8.6
121.06499	4.6
121.10123	10.3
123.08057	0.8
123.11708	3.8
125.05962	2.7
125.09601	0.9
129.07024	1.8
130.07759	0.9
131.04900	1.4
131.08537	2.5
133.10100	2.4
135.08029	2.2
135.11696	32.7
137.13222	1.7
139.06512	0.7
139.07536	0.9
141.06975	0.9
143.08545	1.9
145.10123	20.1
147.04416	1.8
147.11642	2.0
153.12743	3.2
155.08546	2.7
157.10071	0.9
161.06003	0.8
163.11182	50.8
167.08519	1.0
169.10068	1.6
173.09586	1.1
179.03342	1.4
181.04950	24.1
181.10275	1.6
181.12224	13.1
182.05260	1.0
183.11676	1.7
191.10667	1.6
193.04956	1.9
193.10117	0.6
193.12233	2.2
195.11670	1.2
209.08070	0.9
209.11594	3.5
209.13419	1.2
211.13278	1.4
227.12782	100.0
228.13138	1.2
237.22130	1.1
239.23738	5.6
265.14459	1.9
267.15738	1.0
268.23828	0.7
277.07086	1.7
286.29074	0.7
301.10721	8.6
313.27475	2.7
373.05045	0.7
423.27264	1.1
429.33066	1.3
447.32892	2.0
503.29056	0.9
503.37042	3.3
508.49362	0.7
521.38361	73.0
522.38727	2.3
526.74896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
53.49914	1.2
55.01871	2.6
55.05509	34.1
56.13212	1.1
57.03438	7.7
57.07063	5.7
59.04998	1.1
65.03931	2.6
67.05502	47.8
69.03437	2.5
69.07069	38.2
69.37307	5.7
69.37733	3.1
70.77849	1.0
71.04987	4.0
71.08620	3.2
77.03931	1.3
79.05495	27.7
81.03417	40.9
81.07054	55.3
83.04983	8.4
83.08620	34.4
85.02905	20.1
85.06523	1.8
86.34811	1.0
89.89655	1.2
91.05476	20.2
93.07038	28.3
95.04965	20.6
95.07995	2.0
95.08604	32.3
97.02890	2.2
97.06519	5.3
97.10168	13.6
98.21513	1.3
99.08096	2.0
105.04486	1.2
105.07035	14.3
107.04967	3.5
107.08600	15.4
109.06516	2.8
109.09473	1.8
109.10155	14.5
111.04457	2.4
111.08068	10.0
111.11714	3.2
113.05999	1.8
117.07018	1.9
119.08580	13.0
121.06473	1.5
121.10146	22.1
123.08100	1.4
123.11728	7.0
125.09622	1.7
127.11211	1.2
129.07002	7.2
131.08588	7.1
133.06453	1.3
133.10126	7.6
135.11673	9.6
137.09584	1.4
137.13280	3.6
141.06958	1.0
145.10100	1.9
147.08084	2.4
147.11652	11.1
149.09634	2.5
149.13216	5.1
151.14864	1.3
153.12782	1.4
155.08598	2.1
157.10133	8.7
163.14764	1.3
165.12726	2.0
169.10074	1.7
175.11157	8.4
179.03435	1.2
181.04921	6.5
181.12430	1.0
182.05353	2.8
193.10431	2.4
193.12244	47.4
211.13280	49.4
219.21086	3.8
237.22125	7.7
267.15933	5.3
278.41229	1.1
280.59338	1.1
311.25833	2.9
429.33807	2.3
447.33932	1.2
503.37164	3.8
521.38373	100.0
522.38861	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01870	8.3
55.05510	27.1
55.76244	0.9
57.03430	4.0
57.07074	48.5
59.04995	3.7
65.03928	2.3
67.05504	29.6
69.03440	1.2
69.07064	16.3
70.10191	0.9
71.05002	4.5
71.08631	38.8
79.05492	21.9
81.03420	13.0
81.07055	37.0
83.01328	6.6
83.04981	11.2
83.08159	1.9
83.08617	27.0
85.02901	3.4
85.06539	1.1
85.10185	17.9
91.05480	18.4
93.03439	1.2
93.07037	26.3
95.04943	8.4
95.08603	39.2
97.02890	2.5
97.06529	3.1
97.10163	10.6
99.04492	1.4
99.08058	1.3
99.11715	1.9
103.05476	1.8
105.07022	12.0
107.04959	7.3
107.08588	12.4
109.06536	5.4
109.10150	18.3
111.04437	2.8
111.08076	3.6
111.11722	3.4
115.05423	1.1
117.07021	8.4
119.08573	10.4
121.06523	3.0
121.10144	8.9
123.08081	6.1
123.11685	5.7
125.05993	1.6
125.09612	1.6
125.13245	1.8
129.06996	2.3
130.07793	1.6
131.04958	1.1
131.08575	4.7
133.10146	3.5
135.08012	2.3
135.11682	13.9
137.09619	1.6
137.13258	3.5
142.07703	0.9
143.08636	0.9
145.10107	15.0
147.08078	3.3
147.11650	2.3
149.09622	1.0
151.14763	1.5
153.12726	1.7
155.08595	1.8
163.11171	28.6
165.12720	1.2
173.09602	4.5
175.11182	1.1
175.56921	0.9
179.03365	1.8
181.04922	9.3
181.12227	6.9
191.10704	3.7
193.04948	2.1
193.12297	2.2
209.11703	11.2
211.13394	3.5
221.22670	2.0
227.12761	11.9
239.23683	10.6
265.14352	1.1
285.07474	1.1
285.11356	1.0
423.27402	1.4
521.38379	100.0
522.38452	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01854	1.6
55.05509	29.9
57.03438	5.8
57.07077	5.4
59.04996	1.2
65.03938	1.6
67.05503	41.4
69.03415	1.7
69.07069	30.6
69.22849	4.8
69.23273	4.4
71.05001	5.1
71.08613	3.5
79.05491	23.3
81.02934	1.9
81.03416	39.3
81.07053	43.6
83.04975	8.1
83.08616	31.1
85.02441	1.6
85.02906	19.6
85.06545	2.5
85.10161	1.7
89.57256	0.9
91.05478	19.3
93.07040	25.4
95.04968	17.5
95.07990	1.4
95.08601	29.8
97.02871	1.8
97.06525	3.4
97.10165	13.0
99.08092	1.2
103.05501	0.9
105.07027	12.4
107.04944	3.8
107.08599	10.6
109.06528	2.1
109.10159	10.4
111.04447	2.3
111.08067	10.2
111.11713	2.8
113.06047	2.2
115.05378	1.3
117.07030	1.1
119.08578	11.0
121.06483	1.1
121.10144	18.6
123.08041	1.9
123.11713	5.6
125.09613	2.2
125.21482	0.9
128.06253	1.0
129.07034	4.4
131.08586	6.5
131.45148	1.1
133.06444	1.3
133.10094	4.5
135.11690	10.8
137.09622	1.5
137.13266	3.7
139.11133	1.3
142.07756	1.7
145.10118	1.4
147.08037	2.3
147.11678	9.1
149.09680	3.0
149.13243	3.8
153.12794	1.0
157.10121	8.2
163.14754	0.9
165.12793	2.0
175.11203	8.3
181.05049	2.7
188.77536	0.9
193.05043	1.8
193.10477	1.6
193.12245	42.6
211.13287	49.9
217.90047	1.0
219.21103	3.6
227.12842	1.1
237.22110	7.9
261.67892	0.8
267.15973	4.9
311.25864	2.5
429.33743	2.8
447.34268	1.1
475.05161	1.0
503.37421	2.6
521.38373	100.0
522.38818	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
54.85097	1.6
55.01860	2.0
55.05498	7.7
57.03440	1.4
57.07076	3.0
59.05000	1.6
65.03934	2.8
66.31184	1.4
67.05506	14.5
69.03432	11.5
69.07076	11.2
71.04985	2.8
79.05489	13.9
81.03435	5.3
81.07056	36.4
83.04964	7.4
83.08623	3.2
84.04527	2.2
85.02921	3.7
85.06548	3.8
89.05968	1.6
91.05470	20.7
93.07044	28.0
94.07389	2.3
95.04987	6.0
95.08611	33.6
95.54832	1.4
96.04507	5.6
97.02910	4.6
97.06530	7.6
97.10180	1.6
98.06072	1.7
99.04457	3.0
99.08055	2.7
103.05518	2.7
105.07025	30.2
105.07688	1.8
107.04956	5.6
107.08588	34.1
108.08901	1.9
109.02892	3.4
109.06548	6.0
109.10143	22.5
109.10838	1.7
111.04463	2.0
111.08074	3.4
115.05467	2.1
115.07578	1.7
116.91850	1.4
117.07038	8.6
119.04948	4.3
119.08583	36.9
121.04189	1.5
121.06496	4.4
121.10149	30.6
123.04427	3.3
123.08100	6.5
123.11736	5.8
125.09658	7.2
126.05561	3.2
127.03912	3.7
127.07547	1.7
127.11234	1.9
128.06242	3.1
129.07033	4.8
131.04968	3.6
131.08563	19.6
133.10126	26.2
134.10451	1.4
135.04520	2.4
135.08073	7.6
135.11687	10.0
136.49336	1.3
137.05997	6.4
137.09619	5.1
137.13324	1.8
138.05501	20.7
139.05846	7.4
139.07567	1.7
141.07042	3.5
141.09116	2.0
142.07809	5.7
143.08551	17.2
144.06540	4.7
144.09378	2.8
145.02986	2.4
145.06540	2.1
145.10115	29.9
147.04437	4.7
147.08054	4.4
147.11678	22.7
147.12645	1.6
148.12064	1.9
149.09624	7.5
149.13228	7.9
151.03946	5.2
151.07529	1.6
151.11208	4.5
153.01843	8.6
155.08578	8.0
156.09402	5.0
157.10129	21.8
159.08192	1.8
159.11691	22.8
161.09677	6.0
161.13239	10.0
163.07610	2.7
163.11224	4.2
163.14865	4.6
165.09071	1.8
165.12737	2.5
167.07132	2.6
168.06572	1.9
169.06915	2.1
169.10094	10.2
169.62190	1.6
170.10956	1.9
171.11667	21.1
173.09726	4.2
173.13249	17.4
174.02151	1.7
175.03954	3.9
175.11266	4.5
175.14835	7.0
177.05487	3.5
177.09174	2.1
177.12712	3.6
179.07117	2.2
179.08577	1.8
179.14229	1.8
181.10158	3.2
182.10950	3.0
183.11664	10.3
183.86133	1.3
185.09694	1.9
185.13255	14.0
186.07684	3.6
187.07977	1.9
187.11263	3.7
187.14777	13.8
189.12785	4.6
189.16460	6.6
191.14241	7.1
192.14758	2.3
193.10222	2.7
193.12286	1.9
195.11768	4.7
196.12430	2.0
197.13257	9.2
199.11255	1.7
199.14780	9.9
201.12827	3.2
201.16373	4.1
203.14339	5.3
204.08745	5.0
205.15910	3.3
207.06493	7.3
209.13336	6.3
211.14894	6.7
213.12836	3.5
213.16429	5.9
215.14348	7.4
217.12337	2.6
217.15755	7.9
221.13300	2.7
223.14810	3.8
225.12859	2.0
225.16483	4.3
227.14488	2.0
227.18108	1.9
229.15977	2.7
231.13829	2.3
231.17476	4.0
233.15479	6.6
235.14995	1.8
237.16397	2.5
239.17990	2.4
241.15941	2.6
243.17513	2.8
249.16568	1.8
251.18007	1.9
265.08609	1.9
265.19739	2.1
269.19098	1.7
277.19650	2.2
297.11270	2.9
305.24805	1.6
311.16562	1.6
318.07101	3.0
323.13193	1.7
323.23734	1.6
325.22021	1.9
343.15225	2.2
343.22702	2.1
357.24268	1.7
363.26932	2.8
391.30197	3.0
401.28214	2.3
403.30182	6.3
413.28397	2.5
419.29297	4.2
421.31287	5.4
427.28265	1.9
431.29596	7.6
437.30652	3.9
439.32227	4.8
449.30536	21.2
455.31412	3.9
467.31583	32.8
473.32980	4.8
485.32660	12.7
503.33960	7.4
521.34869	100.0
522.34991	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	521.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01876	2.6
55.05515	8.3
57.03431	3.3
60.65533	1.5
65.03938	2.6
67.05503	13.9
69.03437	9.2
69.07069	9.3
70.03756	1.6
71.03223	2.5
71.04986	5.2
75.04494	1.6
79.05482	13.2
81.03389	2.0
81.07050	31.5
83.04965	5.1
83.08633	4.2
85.02910	9.5
85.06545	2.4
91.05480	19.9
93.07047	25.5
95.04963	5.4
95.08601	30.7
97.02874	3.6
97.05981	1.4
97.06503	7.8
97.10182	3.2
97.23186	1.5
99.04459	9.8
99.08099	2.1
105.07027	40.6
107.04941	19.9
107.08593	31.2
108.05273	8.3
109.06533	7.4
109.10153	23.1
111.04491	1.7
111.08040	2.9
115.05459	1.8
117.07002	9.8
119.04918	1.9
119.08582	33.5
120.94073	1.7
121.06502	6.9
121.10141	25.6
121.70357	1.5
123.04369	1.9
123.08076	5.8
123.11701	6.1
125.05933	1.8
125.09625	6.8
127.03951	2.8
129.07034	7.0
131.04965	1.9
131.08568	18.7
133.06461	2.3
133.10121	26.4
134.07167	1.4
135.08066	5.7
135.11688	13.1
137.05986	9.5
137.09627	4.3
138.06332	1.8
139.07500	2.6
139.11148	2.0
141.06949	2.1
141.09113	1.6
142.07813	4.3
143.08543	12.7
144.09341	2.9
145.10129	27.5
147.04459	2.4
147.08031	2.8
147.11684	21.7
149.06007	2.4
149.09633	3.9
149.13290	7.2
151.11220	3.2
153.05455	2.1
155.08575	3.6
156.09311	2.7
157.06473	1.7
157.10104	20.4
158.10957	2.4
159.08086	3.5
159.11685	19.7
160.08647	2.4
161.05975	5.1
161.09468	2.8
161.13271	12.7
163.07443	1.5
163.11186	2.7
163.14833	4.9
167.07074	2.3
169.08800	1.9
169.10088	9.3
171.11682	14.8
173.09706	2.4
173.13248	18.9
175.03908	4.0
175.07603	1.7
175.11153	3.4
175.14848	9.3
177.05469	4.0
177.12740	4.2
177.16476	1.9
179.14258	1.6
181.10078	2.6
183.11679	7.4
185.13260	14.2
187.11130	2.1
187.14827	12.5
189.09129	2.3
189.12718	4.9
189.16391	4.6
191.14284	6.2
193.10059	1.9
195.11723	3.1
197.13234	8.2
199.11272	1.5
199.14772	12.3
201.12691	3.5
201.16376	6.6
203.14337	5.9
203.17969	1.4
205.08479	1.8
205.15900	2.6
207.06549	5.0
207.11783	2.0
209.13258	2.9
211.14857	5.0
213.16396	6.1
215.14305	5.0
215.17874	2.3
217.08577	1.7
217.15932	5.5
221.13403	1.8
221.15353	1.8
223.14882	1.7
225.16428	3.8
227.18071	3.0
229.15918	3.0
231.17395	2.9
233.15465	3.5
239.17909	2.9
241.15843	2.5
251.17885	2.6
253.19489	3.5
257.18909	1.5
279.21182	3.2
324.13086	1.9
325.21469	2.5
336.61667	1.5
337.25363	1.6
340.13727	1.7
341.13913	5.4
342.14227	14.5
368.13440	2.3
391.30142	2.5
403.29880	5.6
419.29407	2.1
421.30905	6.3
431.29434	4.9
437.30627	3.8
439.32159	3.6
449.30371	13.4
455.31451	5.6
467.31540	21.1
473.32587	5.0
485.32541	14.4
503.33435	5.3
521.20770	13.6
521.34705	100.0
522.34924	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
56.05025	1.6
57.03425	0.5
57.37122	0.3
58.06575	1.4
58.37650	0.3
60.08161	16.8
61.42075	0.3
67.05505	4.1
69.07047	1.7
69.23051	3.2
71.07366	7.3
79.05474	1.0
81.07061	3.0
83.08608	0.4
86.09702	54.2
91.05458	0.6
93.07043	1.3
95.04945	0.4
95.08601	2.2
97.06567	0.3
98.98460	3.9
104.10736	100.0
105.07027	0.5
105.11089	0.6
107.08646	0.7
109.10152	0.9
119.08569	0.5
121.10167	0.4
124.99996	31.0
163.01552	0.8
166.72926	0.3
181.04926	0.9
182.05173	0.3
184.07330	100.0
185.07669	0.7
258.11032	1.4
269.33002	0.4
337.27328	1.1
339.77774	0.3
502.32886	8.0
520.33954	23.6
521.34161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05033	0.5
57.03424	0.1
58.06627	0.6
58.88836	0.1
60.08161	6.0
61.56832	0.1
67.05496	0.9
69.07070	0.4
70.76608	0.1
70.76938	0.3
71.07368	2.9
79.05488	0.3
81.07061	0.9
83.04926	0.1
83.08596	0.2
86.09701	32.1
91.05441	0.1
93.07031	0.2
95.08582	0.4
95.15894	0.1
98.97887	0.1
98.98459	3.2
104.10728	2.9
105.07043	0.2
107.08559	0.1
109.10193	0.2
124.99995	22.1
133.10144	0.1
143.01051	0.2
181.04973	0.5
181.30440	0.1
182.05321	0.2
184.07329	100.0
185.07697	0.7
188.28497	0.1
193.04836	0.1
200.64621	0.1
215.15288	0.1
258.10849	0.2
307.49115	0.1
334.53152	0.1
337.27176	0.2
394.32129	0.1
415.33704	0.1
502.32843	0.9
520.33948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84091	0.7
53.03936	2.7
55.01856	2.9
55.05482	0.9
57.03424	3.4
59.04970	0.7
61.02925	5.9
67.05517	0.9
68.50404	0.8
69.03425	11.6
71.04988	7.9
73.02895	2.2
77.03919	0.8
79.05489	2.1
81.03410	5.9
83.01324	0.9
83.04970	1.8
85.02901	36.1
85.06524	0.9
86.36499	0.8
87.04469	2.0
91.03947	1.8
91.05447	4.8
93.07029	3.4
94.04173	1.0
95.04965	7.1
95.08594	1.0
96.08140	1.6
96.72223	1.0
97.02886	12.9
99.04449	35.1
103.05468	1.6
105.03389	2.0
105.06982	1.2
107.04947	100.0
107.08607	0.9
108.05206	0.8
108.08121	2.4
109.02866	2.3
110.09678	3.8
111.04411	2.2
115.05446	1.0
115.06351	0.8
117.07010	1.2
119.04920	1.3
119.08575	1.0
120.04437	1.9
120.08086	1.6
121.06496	16.0
121.10146	1.0
122.03656	1.4
122.07314	1.3
123.04417	1.8
125.06023	1.1
127.03891	5.7
128.06232	1.1
129.07051	3.8
131.04901	0.9
133.06503	3.3
134.07268	5.0
135.04430	5.4
135.08017	0.8
136.07568	1.6
137.05968	26.8
138.09103	4.1
143.04900	2.4
144.05704	2.4
145.04964	4.9
145.06456	4.5
146.07272	1.1
147.04375	2.4
147.08060	2.8
148.07648	0.9
149.05983	6.5
149.09592	0.8
150.06764	1.8
151.03903	1.1
152.07094	1.1
153.05453	2.2
157.06535	2.0
158.07283	1.1
159.08037	14.6
160.05168	0.9
160.08832	8.8
161.05966	15.3
161.09592	2.4
162.06702	4.2
163.03923	2.3
163.05966	1.0
163.07500	1.8
165.08942	0.9
166.08653	4.1
171.08070	2.5
172.08829	1.4
173.09590	1.8
174.10390	3.5
175.07541	5.4
177.05443	13.1
177.09109	1.4
179.07152	1.1
180.08676	3.0
181.04918	1.3
187.07529	1.4
187.11157	0.9
189.09102	1.9
193.08620	8.2
201.09062	2.2
202.09904	1.3
204.54781	0.9
205.08592	4.6
207.06537	2.0
207.10161	2.2
210.06828	1.2
215.10609	1.0
217.08592	8.2
221.08083	5.0
224.09448	1.1
225.10231	1.0
227.11893	0.9
229.08591	2.4
233.11630	2.5
235.09694	3.8
236.09375	1.2
237.10263	6.2
238.11072	2.0
239.11708	1.5
241.08528	8.3
249.10292	5.0
250.11008	2.1
251.08008	2.6
251.11795	3.5
253.09735	2.6
261.10150	2.3
262.10870	1.1
263.11786	2.6
265.09848	5.2
266.10403	1.2
267.11292	2.7
269.09286	0.9
271.09784	3.6
277.09659	1.7
278.10620	1.9
279.07672	2.3
279.11285	6.5
280.11990	1.2
281.09012	1.9
281.11813	6.3
283.10751	6.5
289.09790	4.7
291.11197	1.5
293.09518	1.5
293.12918	3.0
294.10062	3.3
295.10577	1.9
295.13525	4.4
296.11646	1.6
307.10886	1.6
308.11142	1.0
309.12225	1.9
311.10226	2.4
311.13324	1.4
312.11102	1.2
314.12717	1.1
323.12820	11.0
324.11203	1.0
325.12009	1.5
326.12680	2.7
327.13440	4.1
335.10260	5.0
339.13339	31.9
340.10364	1.3
341.13809	73.0
342.14130	1.4
354.12039	2.8
355.12915	9.0
367.12875	23.3
367.17508	1.3
368.13376	1.0
460.18787	1.7
465.82941	0.9
479.20499	1.1
488.17883	5.5
492.21085	3.9
520.20776	39.8
521.21094	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	520.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01878	3.3
57.03426	2.5
61.02927	4.3
65.03924	1.3
67.05494	1.2
69.03428	9.9
71.04987	9.3
71.24833	1.2
73.02900	1.2
79.05474	2.3
81.03421	6.0
81.07047	0.9
83.04987	1.3
85.02900	32.2
85.06535	1.4
87.04478	1.0
91.03957	2.4
91.05473	4.9
93.06519	1.0
93.07022	4.6
94.06557	0.8
95.04964	5.3
96.08104	1.5
97.02887	10.5
99.04452	33.6
103.05478	1.6
105.03395	1.5
105.07022	2.1
107.04952	100.0
108.08115	1.6
109.02858	3.7
110.09682	2.9
111.04446	2.3
115.05474	1.6
119.04961	1.6
120.04459	1.8
120.08099	1.9
121.06495	14.5
122.03674	1.2
122.06016	1.3
122.07334	0.8
123.04434	1.7
124.07640	0.9
125.06045	1.0
127.03913	5.5
128.06236	1.4
129.06998	4.0
131.04901	0.9
133.06525	3.5
134.07240	3.9
135.04417	5.2
136.07574	1.9
137.05977	22.6
138.09128	3.8
143.04916	1.4
144.05673	4.0
145.04953	7.9
145.06496	4.1
146.07275	0.9
147.04417	2.6
147.08037	2.1
149.05957	5.8
149.09593	0.8
150.06729	1.5
151.07552	1.6
153.05447	2.9
157.06476	1.7
159.08043	13.6
160.05215	1.5
160.07565	1.1
160.08817	8.4
161.05983	12.2
161.09615	1.9
162.03159	0.7
162.06735	1.5
163.03926	2.0
163.06137	1.0
163.07533	1.6
166.08661	3.2
171.08087	2.1
173.09630	1.9
174.10443	1.6
175.07533	5.7
177.05463	13.2
177.09097	1.9
180.08636	3.3
181.05005	1.3
181.06447	0.9
185.05896	0.8
187.07526	1.7
189.09148	1.5
193.08615	7.6
197.31708	0.6
201.09146	2.0
202.09993	0.9
203.06985	0.8
205.08614	4.4
207.06464	1.1
207.10190	2.4
210.06783	1.1
211.07553	1.0
215.10678	1.0
217.08562	8.2
219.10159	0.7
221.08086	7.5
223.08847	0.8
223.12273	0.9
224.09596	1.1
225.10329	1.1
229.08527	2.9
233.11685	2.3
235.09731	4.6
235.11775	0.9
237.10333	4.4
238.10957	0.9
239.11748	2.0
241.08560	9.7
242.34836	0.7
247.09630	0.9
248.09373	1.3
249.10291	3.5
250.10963	1.4
251.08034	2.4
251.11755	3.8
252.12469	0.9
253.09898	3.7
253.12061	0.7
261.10226	2.4
263.11703	1.1
265.09766	5.8
266.10437	1.5
267.11246	2.7
271.09695	3.4
277.09720	2.5
278.10550	1.9
279.07593	2.5
279.11276	5.6
280.12061	1.2
281.11713	6.1
283.10684	4.8
289.09708	4.1
291.11374	0.8
292.08133	0.8
293.09277	1.1
293.12698	1.7
294.09940	2.5
295.10693	1.4
295.13358	4.7
296.11685	1.2
298.12711	0.9
299.10077	1.0
305.11621	0.9
307.10815	1.3
309.12448	1.3
311.10187	2.5
311.13153	2.3
312.11005	1.3
323.12805	13.0
324.10846	1.3
326.12402	1.6
327.13348	2.4
335.10153	3.3
339.13382	26.5
340.10455	1.5
341.13815	83.6
342.13943	1.9
354.12073	3.0
355.12778	7.7
367.12839	19.5
488.18130	5.6
492.21469	3.4
520.20758	32.4
521.20697	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	520.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01869	1.2
55.05500	0.4
57.03431	1.3
59.41314	0.5
61.02933	2.4
69.03416	4.0
69.07078	0.7
71.05010	0.7
71.40461	1.0
73.02879	0.6
79.05476	1.2
80.23686	0.4
81.03418	2.5
81.07056	1.2
83.01319	0.5
84.45324	0.5
85.02898	13.9
87.04462	0.7
91.05473	1.6
93.07033	0.6
95.04956	0.9
97.02888	5.4
97.06517	0.8
99.04449	0.8
102.04675	2.1
103.05461	1.9
105.03404	0.5
105.07024	3.2
107.04950	13.6
108.05707	1.7
109.02868	1.8
109.06483	1.0
109.10136	0.5
115.05466	1.0
117.07000	1.3
118.04137	0.8
119.04942	1.7
119.08566	0.8
121.02803	0.7
121.06505	1.9
121.10156	0.5
122.03638	0.6
123.04456	2.5
124.05192	1.4
127.03896	2.3
129.03340	1.8
130.04141	4.3
131.04909	2.3
133.06496	3.7
133.10124	0.7
135.04414	3.2
136.05182	4.8
137.05978	12.0
141.06976	0.8
145.04961	1.3
145.06497	1.0
146.03662	1.3
147.04398	13.2
149.05917	0.5
153.05420	0.6
161.05971	13.9
161.08470	0.5
162.03143	1.5
162.06750	35.0
163.03879	1.8
163.07533	4.4
167.08585	1.2
169.06442	1.5
174.06894	0.7
177.05470	9.9
177.09100	1.5
178.09900	2.4
179.06989	1.0
180.08615	0.7
185.06024	1.0
187.07520	0.7
191.14348	0.8
195.08038	2.5
197.05948	1.4
201.09045	0.7
202.09822	0.7
205.06544	0.8
205.08449	0.7
213.05458	0.9
214.06297	0.9
222.06705	0.6
223.07553	4.6
230.05693	0.9
239.07031	1.5
245.08101	9.3
250.06253	1.7
251.07019	6.3
255.10153	0.7
257.08075	13.3
267.06558	0.8
268.07272	2.8
271.09668	2.2
281.08130	1.4
283.09625	29.6
287.09161	3.0
299.09158	20.0
299.12637	1.6
323.12726	1.3
341.13815	100.0
342.14063	2.6
358.16290	1.0
497.40173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05497	1.4
59.04998	12.5
61.84996	1.1
62.88007	0.9
63.39799	1.0
67.05506	5.1
69.03410	3.8
69.07050	3.1
69.28175	10.5
71.04978	1.7
79.05482	5.1
81.03416	2.4
81.07050	7.2
83.04973	1.6
85.02882	2.4
90.49545	0.8
91.05459	2.8
92.05759	1.0
93.07037	3.3
95.04971	4.2
95.08597	12.3
97.02939	1.0
97.06548	4.9
98.21492	2.0
102.04675	3.2
105.07027	4.8
107.04967	2.4
107.08588	2.1
109.02882	11.1
109.10152	14.5
112.17648	0.9
119.08564	5.9
121.02887	1.2
121.06467	1.7
121.10146	7.6
123.04432	1.2
123.08069	15.9
123.11705	1.1
125.06039	1.2
130.04153	2.7
137.02365	1.7
137.09608	9.7
139.11188	1.5
141.09099	5.0
145.10156	1.7
147.04411	9.1
147.08014	2.0
150.66116	1.1
165.09087	10.2
173.13246	1.3
176.04686	100.0
177.05148	1.5
183.10193	16.8
226.14426	2.1
300.06250	1.5
317.05637	1.9
332.07605	6.1
333.06058	1.8
356.07870	1.9
374.08652	4.3
520.29730	2.8
531.09534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01856	1.7
55.08714	0.6
57.03435	3.0
57.17908	0.6
59.23083	0.6
61.02922	4.7
61.61665	0.6
63.44125	0.6
66.39431	0.5
69.03430	8.3
71.41513	0.8
71.41889	0.7
73.02897	1.2
73.04743	0.7
74.28503	0.6
79.74765	0.5
81.03434	3.3
85.02901	27.4
86.27833	0.7
87.04468	1.0
91.03934	1.6
91.05811	0.9
97.02879	9.2
99.04466	1.9
103.04011	0.6
107.04984	0.9
109.02871	2.3
111.04399	0.6
112.54610	0.6
127.03909	6.2
131.04929	5.5
135.04433	3.4
137.02335	6.4
139.00293	0.7
139.03897	2.1
141.06960	1.6
145.04919	6.0
147.04373	2.3
149.05968	4.1
155.04994	0.7
159.04419	6.2
161.02263	3.0
161.05978	2.0
163.03908	19.5
165.01854	0.9
169.06470	2.9
171.04408	1.0
173.05988	1.1
175.03873	3.0
175.07602	1.0
177.05472	19.4
179.03391	0.6
180.08609	1.5
183.04398	1.3
185.05995	3.3
187.03915	3.1
187.07472	0.9
189.05455	6.3
191.03358	1.7
193.04997	2.7
197.04385	0.7
197.05933	3.5
199.03900	2.7
201.05434	6.1
203.03333	3.8
203.07021	1.6
205.04955	56.4
207.02907	7.8
213.03780	0.7
213.05580	3.8
215.03323	1.2
215.07071	3.4
217.04947	14.6
221.04295	0.7
229.04965	4.8
231.06593	3.3
233.04578	0.8
241.04932	2.4
243.06509	3.1
245.04427	4.0
247.06160	0.7
257.17136	0.7
259.06042	5.6
271.01248	0.7
277.07083	6.7
281.06488	1.2
287.05429	1.9
290.83841	0.7
295.08310	4.2
299.06042	0.9
305.06631	2.4
323.07596	100.0
324.07922	1.2
341.08719	6.7
358.11478	1.3
520.17120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01856	2.1
55.05501	10.1
57.03439	2.6
57.07058	4.4
59.55368	2.1
61.02924	3.6
65.03927	2.7
65.31748	1.9
67.05505	24.4
67.63280	2.2
69.03425	27.0
69.07069	26.2
71.04993	8.5
71.06863	4.1
71.07192	2.7
73.02911	2.8
73.04751	2.5
79.05491	11.5
81.03407	13.2
81.07052	50.0
83.04985	6.0
83.08600	7.1
85.02901	26.1
85.06544	9.5
91.05418	14.3
93.07045	43.2
93.07628	2.7
94.28741	2.0
95.04961	11.7
95.08609	27.0
97.02875	12.6
97.06528	4.6
97.10181	4.0
99.04385	2.8
99.08049	2.8
105.07032	25.9
107.04939	4.8
107.08589	33.9
109.02882	6.9
109.06525	7.5
109.10152	73.9
111.04444	3.8
111.08089	4.1
111.11746	3.9
115.05444	2.5
117.07014	4.5
119.04946	6.4
119.08567	18.0
121.06516	3.7
121.10128	21.3
123.04403	4.2
123.08049	5.4
123.11693	21.1
125.09625	21.0
127.03915	10.1
127.11198	36.5
131.08572	6.1
133.10117	24.7
135.08034	10.4
135.11690	15.7
136.79771	2.1
137.05984	11.9
137.09613	10.1
139.11180	8.4
143.08582	7.1
145.06462	2.6
145.10123	8.7
147.04401	6.2
147.11691	12.9
149.09581	5.3
149.13239	8.9
151.07605	2.8
151.11172	45.1
151.12375	3.1
153.12759	6.2
157.10110	3.4
159.11696	8.9
161.06001	3.2
161.09575	16.0
161.13264	4.4
163.11172	5.1
163.14821	4.0
165.12871	3.7
167.05563	2.4
167.10721	2.3
169.12204	5.3
173.13286	5.8
175.03918	2.9
175.14832	3.6
177.05470	4.3
177.12717	2.8
177.16441	4.7
179.10669	100.0
181.12273	4.8
187.11066	3.6
187.14873	5.2
197.11737	14.8
201.16434	2.2
207.06509	9.0
207.13689	3.5
215.14333	2.8
215.50870	2.4
216.54915	2.7
227.08261	3.7
241.09569	3.6
242.10585	2.6
257.22620	3.2
284.11417	2.5
285.12399	4.8
285.22073	4.1
297.12320	26.1
298.13031	13.6
299.06351	3.6
303.23166	28.0
321.24222	40.7
327.44214	2.9
339.25290	39.0
357.13440	2.7
357.26443	3.2
465.28439	6.6
475.17148	30.1
476.17191	3.3
501.29816	2.3
519.15637	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	519.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29933	0.3
52.79691	0.3
53.00270	0.5
55.01875	0.8
55.05505	2.8
57.07066	0.7
67.05508	8.5
68.90702	0.4
69.03423	0.5
69.07072	2.7
69.87099	0.4
70.86340	1.1
71.04973	0.6
71.08617	0.4
79.05492	4.1
81.03365	0.6
81.07051	7.0
82.70671	0.4
83.04964	1.4
83.08592	1.7
85.06548	0.5
86.09680	0.6
91.05450	5.7
93.07045	4.7
95.04993	2.0
95.08605	6.0
97.06534	2.0
97.10161	1.3
99.30225	0.4
103.05444	0.6
104.10772	0.9
105.03404	1.4
105.07031	9.7
107.04941	0.8
107.08593	5.0
109.06494	1.0
109.10149	6.0
111.08064	0.9
117.07018	1.5
119.08574	5.6
121.06492	0.7
121.10131	3.6
123.08002	0.5
123.11690	1.3
125.09610	0.8
129.07051	0.6
130.07864	0.4
131.04915	1.4
131.08560	1.3
133.10120	3.8
135.08072	0.9
135.11664	1.1
137.05988	0.5
137.13206	0.4
143.08554	0.6
145.10103	1.6
147.07976	0.5
147.11685	8.3
149.09616	0.6
149.13234	0.4
151.00296	1.1
151.11095	0.5
155.07161	0.5
155.08591	0.5
157.10052	0.8
159.11691	1.0
161.09576	0.5
161.13252	1.4
161.44067	0.4
163.03995	0.5
163.11203	0.5
167.03337	0.5
167.05583	0.5
171.11671	0.7
173.04590	0.4
173.09651	0.5
173.11693	0.4
175.14868	0.7
179.03339	1.2
179.72597	0.4
181.04947	6.6
182.02104	0.6
184.07350	0.6
185.13225	0.4
193.05052	2.2
198.01558	0.7
199.14771	0.5
203.17912	3.4
221.18761	0.4
227.12726	0.9
238.06200	1.0
241.05031	0.8
241.19669	0.4
254.05704	1.1
255.06519	18.0
266.05771	1.2
267.06467	3.2
269.04413	0.8
270.05194	3.1
273.18570	1.0
275.19937	0.6
281.04477	0.5
283.06009	16.6
284.06772	16.5
285.07401	0.7
291.19485	1.7
297.11194	0.9
299.09128	100.0
300.09317	2.3
501.05923	0.5
501.36047	0.4
502.06323	0.4
519.07031	0.5
519.33356	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39088	0.7
69.03422	1.4
71.49809	1.4
73.04750	2.3
85.02873	2.1
91.05798	6.3
93.67313	0.6
97.02876	1.1
98.97575	2.9
115.05430	2.6
116.98643	1.1
117.05765	2.0
127.03868	0.8
132.08102	3.7
133.06439	0.9
134.99626	1.1
142.06570	0.9
147.04445	0.8
149.04480	1.3
152.41484	0.7
153.01807	2.1
160.07573	100.0
161.07979	1.0
167.05518	5.4
171.70496	0.7
177.10223	16.5
219.01842	1.8
237.02748	1.8
266.99933	1.2
283.02896	1.0
291.07861	0.8
299.06189	8.9
339.05563	1.2
344.97641	2.6
359.02896	1.3
415.03870	0.9
419.18283	0.8
536.38208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.05021	1.3
57.03426	0.4
58.06573	1.4
58.46972	0.3
59.07376	0.3
60.08157	16.3
65.03943	0.4
67.05505	2.9
69.07056	0.5
71.06991	0.4
71.07369	6.1
79.05470	2.3
81.07043	2.3
83.05008	0.3
83.08592	0.4
85.17022	0.2
86.09698	49.8
91.05466	1.0
93.07004	1.8
95.08574	1.3
98.98449	4.6
104.10731	100.0
105.07015	0.5
105.11057	0.7
107.08570	0.9
109.10138	0.4
119.08572	0.4
121.10155	0.5
124.99989	28.4
131.08556	0.5
143.01071	0.6
163.01521	0.5
166.43163	0.3
184.07324	96.9
185.07620	0.4
208.74190	0.3
258.11020	0.9
335.25879	0.8
367.87674	0.3
441.23911	0.5
500.31314	8.3
518.32361	22.6
519.32593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76967	0.1
52.69270	0.1
55.05502	0.4
56.05029	0.5
57.03442	0.2
58.06628	0.5
59.07396	0.1
60.08159	6.7
67.05497	0.6
70.06599	0.2
70.83680	0.1
71.07365	3.5
79.05470	0.4
81.07048	0.5
83.08632	0.1
86.09698	32.6
86.74458	0.1
87.10036	0.3
91.05441	0.2
93.07028	0.3
95.08614	0.4
98.98462	3.3
104.10731	2.6
105.07032	0.2
107.08573	0.1
109.10144	0.1
119.08569	0.1
121.10157	0.1
124.99992	23.2
143.01022	0.4
184.07324	100.0
185.07706	1.0
203.71808	0.2
258.11017	0.2
326.92206	0.1
339.27283	0.1
500.31586	0.7
518.32275	1.3
519.32764	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	516.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01892	4.1
55.05507	6.6
59.62576	3.5
62.87720	4.1
67.05499	33.9
69.03425	9.1
69.07057	12.7
70.96407	8.7
70.96760	5.8
79.05489	6.7
81.03407	3.8
81.07053	27.2
83.08607	4.5
85.02895	8.0
91.05470	12.3
93.07048	29.3
93.27447	3.9
95.04972	11.8
95.08603	28.0
98.78258	4.2
105.07035	34.4
107.04962	4.9
107.08598	16.3
107.68510	4.5
109.10158	93.3
119.08565	24.8
121.10133	100.0
121.10950	8.4
123.04337	4.5
123.08015	5.5
123.11665	8.0
131.08551	8.1
133.10129	20.5
135.11671	15.8
137.09621	21.0
143.08588	6.5
145.10091	14.6
147.08066	5.5
147.11615	5.4
149.09621	5.4
155.10670	8.5
157.10139	8.5
159.08003	4.3
159.11717	9.7
161.09596	9.8
161.13283	4.8
163.11186	9.5
165.09116	29.0
173.13310	8.6
178.67780	4.1
201.16310	5.6
255.21001	6.3
283.20465	10.3
301.21594	46.7
319.22662	38.0
335.05502	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	516.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.2
67.05508	37.1
69.03410	7.8
69.07063	57.5
71.05032	4.9
79.05478	19.9
81.03380	6.1
81.07055	40.7
83.04980	7.6
83.08582	5.8
85.02896	14.0
86.09697	13.6
91.05469	21.1
93.07041	37.6
95.04960	9.1
95.08607	34.6
97.02888	10.2
97.06530	5.8
105.07024	54.1
107.08597	27.9
109.06528	6.7
109.10149	97.2
111.11748	8.6
117.07013	11.7
118.09029	4.6
119.08568	30.4
121.06522	11.1
121.10140	100.0
123.08067	6.2
123.11732	7.1
125.00010	10.9
131.08571	19.0
132.02577	4.8
133.10129	38.1
135.08044	7.2
135.11702	28.6
137.09570	26.5
143.08534	5.6
145.04893	5.4
145.10106	33.7
147.08028	17.4
147.11694	24.7
149.09558	9.1
157.10112	21.1
159.07988	7.8
159.11670	29.3
161.09593	18.9
161.13211	10.2
163.11186	17.3
165.09103	43.9
171.11658	12.4
173.09535	6.1
173.13226	20.1
175.11107	6.3
175.14832	14.3
177.09160	4.5
179.10681	11.7
180.08647	7.2
184.07317	33.0
185.13263	9.2
187.14775	10.3
191.10562	8.3
193.12210	7.1
199.11201	7.4
199.14775	28.0
201.16370	5.3
203.14348	7.0
213.12798	4.5
213.16325	7.4
215.14288	11.8
217.12198	10.5
217.15918	7.8
221.15346	11.8
227.14253	8.1
233.15251	5.9
241.19481	7.7
245.15318	8.4
255.21095	22.6
283.20422	24.2
286.32034	5.0
301.21594	70.2
319.22470	14.3
451.27258	5.5
452.94644	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	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.00303	2.5
55.05508	20.0
57.03426	7.8
57.07063	3.2
67.05502	62.3
68.30313	2.5
69.07064	17.7
70.55157	9.3
71.01353	2.4
71.05007	3.9
79.05490	53.2
81.07054	43.6
83.04968	9.3
83.08614	7.4
85.06571	3.6
91.05471	33.2
93.07040	60.2
95.04974	6.8
95.08605	28.4
97.06513	7.0
97.10168	8.9
105.07026	22.0
107.08591	40.9
109.10159	13.5
115.05505	2.6
117.06988	13.7
119.08593	12.7
121.10140	18.5
125.09700	3.2
129.06996	2.8
131.08594	13.0
133.10155	14.3
135.11687	44.6
141.76952	2.3
143.08533	7.1
145.10110	20.3
147.11716	5.3
149.13268	4.3
157.10138	6.5
159.11678	6.6
159.42532	2.6
161.13216	2.8
163.11217	3.6
163.14729	3.1
171.11794	3.0
173.13284	7.8
181.12202	4.7
185.13159	3.2
187.14903	3.7
213.16426	2.6
243.21066	3.2
261.22217	5.0
268.16422	2.6
304.21341	2.5
312.26575	2.5
423.32645	6.9
441.34018	3.0
479.34927	3.1
484.73285	2.7
497.36536	6.0
515.37311	100.0
516.37909	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	515.3734
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
52.46960	0.7
53.03933	2.0
55.01865	1.1
55.05512	7.7
57.03430	3.3
57.07064	2.7
63.41617	0.7
65.03927	1.1
66.30269	0.6
67.05503	16.9
69.07072	8.6
71.04970	1.5
71.08624	0.7
79.05495	15.0
79.44255	0.7
81.03454	1.5
81.07059	16.0
83.05028	1.0
83.08613	4.8
85.06541	1.0
89.06020	1.6
91.05476	14.2
93.07044	14.5
95.04969	2.9
95.08603	10.9
97.06536	2.5
97.10174	2.7
98.21555	1.1
99.08076	0.8
105.04526	0.8
105.07030	13.6
107.08598	8.0
109.06525	1.1
109.10178	4.3
111.08099	1.2
115.05453	1.3
117.07030	8.5
119.08590	9.6
121.06516	1.3
121.10154	6.3
125.09606	1.2
128.06245	1.7
129.07014	7.1
131.04939	0.9
131.08572	15.5
133.08591	1.0
133.10144	6.6
135.11729	4.8
141.07031	2.3
142.07779	1.2
143.08548	8.9
145.06517	1.0
145.10126	14.5
147.11716	4.3
149.09634	1.0
149.13335	1.2
155.08565	4.3
157.10132	6.4
159.11717	7.0
161.13257	2.2
163.11180	0.8
167.08583	1.3
168.09253	0.9
169.10101	5.3
171.11661	5.6
173.13243	5.2
175.14859	1.7
181.05009	1.3
181.10098	1.8
183.11732	3.2
185.13249	4.8
187.14839	3.3
189.16280	0.8
195.11720	2.7
197.13300	3.0
199.14873	3.4
199.84515	0.7
201.16429	2.7
207.11731	0.9
209.13301	2.2
211.14864	1.7
213.16414	2.4
223.14793	1.3
225.16417	1.5
227.17979	1.7
235.14900	1.0
237.16481	1.4
239.18117	1.3
243.21091	1.5
261.22202	1.1
283.20880	1.0
283.24234	1.1
285.22253	1.1
299.23715	1.3
311.23489	0.9
317.24771	1.3
325.25198	1.6
341.24969	1.0
343.26541	0.7
405.31580	4.9
423.32571	11.8
441.33771	2.4
459.35214	1.6
461.83093	0.8
479.35532	1.0
497.36337	5.2
515.37360	100.0
516.37225	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	515.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.6
55.05495	4.8
57.03418	1.7
59.04982	1.2
67.05495	6.9
69.03429	7.5
69.07068	8.3
70.18977	4.4
71.04975	3.1
79.05480	6.4
81.03396	5.2
81.07058	14.7
83.04967	4.1
85.02889	3.8
85.06519	2.6
87.04440	1.3
89.03906	9.0
91.05470	8.6
93.07040	11.2
95.04969	6.2
95.08602	13.7
97.02856	4.1
97.06540	2.7
97.10133	4.1
99.04428	2.8
101.06016	1.9
105.07015	10.6
107.04926	2.5
107.08588	10.9
109.02873	3.9
109.06494	3.8
109.10144	11.5
111.08062	3.5
116.98544	1.1
117.03371	22.7
118.03784	1.2
119.04919	2.1
119.08571	8.6
121.06519	4.0
121.10155	8.5
123.04393	1.7
123.08043	3.2
123.11679	4.9
125.06007	2.1
125.09616	3.0
127.03906	3.8
127.11217	1.4
129.07014	2.0
131.08565	4.4
133.06505	6.9
133.10123	6.7
134.03618	1.8
135.04405	2.8
135.08025	4.5
135.11664	3.9
137.05948	2.7
137.09592	4.9
139.03813	1.3
139.11176	2.9
141.06908	1.1
141.08983	1.4
143.08621	2.7
145.02844	49.2
145.06512	1.7
145.10094	6.5
147.04381	11.9
147.08031	2.3
147.11667	4.7
149.05971	8.3
149.09601	4.5
149.13263	2.7
151.11168	3.2
152.01051	1.1
157.10080	1.4
158.06076	1.2
159.07919	1.5
159.11678	3.4
161.05965	1.4
161.09593	3.5
161.13234	2.9
163.07539	3.1
163.11148	3.1
165.09108	2.7
165.12750	1.2
167.10664	2.2
169.10104	2.4
171.11694	2.0
173.05968	3.2
173.13266	2.4
175.03807	1.6
175.11237	1.2
175.14781	2.2
177.05463	100.0
178.05800	1.7
179.10661	3.3
183.11636	1.9
185.63271	1.2
187.14763	1.6
189.05504	1.7
189.09137	1.3
189.12682	2.7
191.14351	1.4
197.05995	1.7
201.05452	4.3
203.14330	1.5
213.05437	1.8
217.15982	1.2
246.47910	1.1
267.06467	2.4
271.20239	1.3
273.60864	1.1
299.20135	3.0
317.21060	3.5
335.22363	2.2
349.48032	1.2
471.22507	1.7
479.26108	2.6
497.28189	2.8
515.27881	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	514.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	22.6
57.03429	16.5
67.05508	49.8
68.05813	5.6
69.03436	6.8
69.07083	23.5
75.02706	3.9
79.05495	43.0
81.03410	43.2
81.07058	68.4
83.04980	19.5
83.08633	20.7
85.02900	17.7
91.05479	34.5
93.07048	56.6
95.04987	22.6
95.08607	18.6
97.02904	5.5
97.06541	11.0
97.10165	5.6
105.07030	24.9
107.04955	8.8
107.08593	24.6
111.08076	13.8
117.07019	6.6
119.08587	19.5
121.10149	25.6
129.06978	10.7
131.08586	20.3
133.10132	12.8
135.11687	11.9
145.10143	10.9
147.11673	14.1
149.13274	32.5
157.10126	11.9
159.11662	13.2
175.11217	7.6
177.12793	6.1
187.14809	4.8
193.12247	36.9
194.10826	4.2
195.13844	10.5
211.13322	59.6
267.15921	15.6
269.17453	100.0
271.51224	4.3
285.16959	43.7
346.13486	4.6
461.28851	22.8
479.30026	74.0
514.35956	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	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
54.05499	0.7
55.01870	2.2
55.05490	1.3
57.03429	3.9
58.58552	0.7
59.04983	1.4
61.02925	6.3
67.05496	1.1
69.03425	12.8
69.07066	5.6
69.69569	2.5
69.70000	3.5
70.06532	0.7
71.04983	0.8
71.08626	48.1
73.02905	2.5
73.09956	0.9
74.41501	0.8
81.03419	4.8
81.07044	2.0
83.01355	1.0
85.02903	59.0
86.09770	0.8
87.04456	1.4
91.03948	2.4
91.05437	1.3
93.07059	1.3
93.23576	0.9
95.08591	1.5
97.02302	1.5
97.02893	20.1
99.04430	3.0
99.08089	100.0
100.08335	1.0
109.02895	5.4
109.10075	0.9
115.64482	0.7
121.10125	2.2
121.82434	0.8
123.04430	1.2
127.03915	15.0
129.12747	12.6
133.06506	0.9
139.11186	0.8
145.04961	20.9
147.04414	1.0
151.03777	1.2
155.14320	2.6
163.03862	1.3
163.06018	8.2
167.10652	1.3
173.15366	77.1
174.15701	1.3
260.94391	0.8
384.50552	0.9
392.92670	0.9
478.25119	0.8
482.18652	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	514.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57505	3.3
55.05507	3.5
56.67941	3.3
66.75434	4.7
67.05494	10.1
69.03372	3.9
71.04980	4.6
71.51617	5.4
79.05458	3.9
81.03397	7.9
81.07063	3.6
85.02905	5.4
91.05492	17.4
93.07040	12.6
95.04958	6.2
95.08592	11.6
96.08153	3.7
97.02895	5.1
103.05462	5.8
105.07014	7.8
107.04951	9.4
107.08588	4.7
109.02869	5.5
109.06550	4.0
119.04906	11.3
121.06454	13.3
121.10128	8.4
122.03657	5.2
124.07641	4.1
131.04889	7.6
133.05031	3.4
133.06488	10.2
135.04395	4.0
137.05966	62.3
147.04398	16.7
148.07521	4.3
149.05992	23.4
149.09572	8.7
150.06750	3.6
151.07500	4.6
153.05501	4.5
161.05968	100.0
162.06754	9.3
163.03912	3.9
164.10719	5.9
165.07005	4.7
167.07011	7.8
175.07523	9.7
177.05432	7.6
179.07025	6.0
192.10245	17.3
193.06575	7.6
193.08582	4.3
193.12225	4.2
203.07005	55.8
207.06442	7.9
214.64096	3.6
221.05991	11.6
221.08095	28.4
225.09007	9.5
233.08063	12.6
237.09093	4.0
238.06247	4.0
252.07745	4.2
253.08595	24.1
259.22076	4.0
265.08536	4.9
267.10583	7.4
267.73547	3.7
270.09167	3.7
285.11188	71.4
285.16818	3.5
295.10242	4.8
297.11191	16.7
302.95956	3.6
309.11118	5.6
313.11942	21.5
323.12283	14.5
325.10678	10.1
327.12231	88.7
339.11993	5.2
345.13351	41.3
357.13300	5.9
373.13922	47.0
375.11731	8.8
376.12485	4.8
514.10175	9.8
514.17004	4.5
514.22229	6.2
537.94263	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	514.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57505	3.3
55.05507	3.5
56.67941	3.3
66.75434	4.7
67.05494	10.1
69.03372	3.9
71.04980	4.6
71.51617	5.4
79.05458	3.9
81.03397	7.9
81.07063	3.6
85.02905	5.4
91.05492	17.4
93.07040	12.6
95.04958	6.2
95.08592	11.6
96.08153	3.7
97.02895	5.1
103.05462	5.8
105.07014	7.8
107.04951	9.4
107.08588	4.7
109.02869	5.5
109.06550	4.0
119.04906	11.3
121.06454	13.3
121.10128	8.4
122.03657	5.2
124.07641	4.1
131.04889	7.6
133.05031	3.4
133.06488	10.2
135.04395	4.0
137.05966	62.3
147.04398	16.7
148.07521	4.3
149.05992	23.4
149.09572	8.7
150.06750	3.6
151.07500	4.6
153.05501	4.5
161.05968	100.0
162.06754	9.3
163.03912	3.9
164.10719	5.9
165.07005	4.7
167.07011	7.8
175.07523	9.7
177.05432	7.6
179.07025	6.0
192.10245	17.3
193.06575	7.6
193.08582	4.3
193.12225	4.2
203.07005	55.8
207.06442	7.9
214.64096	3.6
221.05991	11.6
221.08095	28.4
225.09007	9.5
233.08063	12.6
237.09093	4.0
238.06247	4.0
252.07745	4.2
253.08595	24.1
259.22076	4.0
265.08536	4.9
267.10583	7.4
267.73547	3.7
270.09167	3.7
285.11188	71.4
285.16818	3.5
295.10242	4.8
297.11191	16.7
302.95956	3.6
309.11118	5.6
313.11942	21.5
323.12283	14.5
325.10678	10.1
327.12231	88.7
339.11993	5.2
345.13351	41.3
357.13300	5.9
373.13922	47.0
375.11731	8.8
376.12485	4.8
514.10175	9.8
514.17004	4.5
514.22229	6.2
537.94263	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	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26587	0.8
53.03936	2.0
55.01859	1.8
55.05511	15.0
57.07067	3.8
59.36678	0.7
65.03919	1.4
67.05136	1.5
67.05499	23.4
69.07068	9.3
71.04991	1.2
71.08589	1.1
71.51359	1.1
75.42599	0.7
79.05491	17.7
81.06596	1.4
81.07055	22.5
83.04967	1.6
83.08618	7.1
85.06543	2.1
87.04446	0.9
88.07619	0.9
91.05482	17.2
93.07043	16.4
95.04960	2.5
95.08606	15.2
97.06525	2.2
97.10176	3.5
102.09137	0.9
105.04551	0.8
105.07028	19.0
107.08599	9.2
109.06538	0.9
109.10165	5.4
111.08122	1.1
115.05431	1.6
117.07004	10.3
119.08580	12.5
121.10154	4.3
123.08131	1.3
125.09630	2.3
128.06223	4.3
129.06999	13.5
130.07774	1.3
131.08568	17.4
132.23343	0.8
133.10117	9.5
135.11726	4.1
141.06985	5.8
142.07776	3.4
143.07509	1.5
143.08556	16.7
144.09326	1.2
145.10124	15.7
147.11705	4.7
149.09621	0.8
149.13257	1.3
153.07039	2.6
155.08571	11.2
156.09308	1.3
157.10123	17.2
159.11705	12.0
161.13252	1.4
165.06996	1.2
167.08551	3.5
169.10114	15.4
170.10664	0.8
171.11703	15.9
172.12154	0.8
173.13257	6.7
179.08569	2.2
180.09389	0.9
181.10153	6.8
182.10957	1.0
183.11685	14.2
185.13266	10.2
187.11067	1.0
187.14818	4.1
193.10098	2.0
195.11684	6.4
197.13254	10.1
199.14828	6.1
205.10281	0.9
207.11674	2.2
209.13289	5.3
211.14790	5.9
213.16373	3.4
215.17897	0.7
221.13257	2.3
222.13821	0.7
223.14751	5.5
225.16599	1.7
227.18030	1.6
235.14816	2.5
237.16458	2.4
249.16528	1.6
251.17848	1.4
255.17494	0.9
256.26349	1.3
257.26822	2.1
261.18655	1.4
263.17883	0.9
265.19644	1.1
269.19040	1.4
277.19434	1.5
283.26208	1.8
284.26712	2.2
285.18689	0.9
295.20575	0.9
297.22113	1.3
299.20303	1.4
301.21890	1.1
309.22162	2.8
311.23605	2.2
313.21710	1.5
315.23242	1.3
321.22101	1.4
323.23697	2.2
325.21567	0.9
326.73511	0.8
326.77094	1.0
327.23193	1.6
339.23056	1.5
341.24753	1.5
353.24603	1.2
371.25699	1.0
380.18280	0.9
393.31567	1.4
401.26190	1.0
403.29984	6.6
421.31003	18.3
422.31177	1.1
439.32202	7.9
457.33109	1.6
477.33643	1.9
495.34604	8.6
513.35754	100.0
513.50592	7.9
514.36139	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	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01865	1.8
55.05508	12.3
57.07067	1.0
58.43227	0.7
65.03932	1.0
67.05502	21.9
69.06689	0.9
69.07065	11.0
69.30598	6.0
69.31012	1.5
71.04980	1.5
79.05493	16.5
81.03429	0.8
81.06595	1.4
81.07053	19.8
83.04980	2.4
83.08608	5.1
85.06559	1.3
89.06041	0.8
91.05482	17.2
93.06487	1.4
93.07040	15.3
95.04957	3.0
95.08604	14.1
97.06509	2.0
97.10157	3.6
103.05448	0.9
105.04556	0.8
105.07028	18.7
107.08581	9.1
109.06499	1.6
109.10146	5.4
111.08098	1.0
115.05425	1.2
117.07015	9.2
119.08575	16.6
119.66671	0.6
121.06467	1.3
121.10134	4.2
123.08086	1.6
125.09612	0.9
128.06219	3.7
129.06987	10.6
131.08560	15.6
133.10123	10.5
135.11671	5.3
137.09578	0.9
141.06989	2.9
142.07790	2.9
143.08560	14.6
144.09326	0.8
145.10112	16.8
147.11697	5.6
147.61343	0.7
149.09570	1.3
149.13271	1.2
155.08543	9.7
156.09314	1.3
157.10115	13.4
158.10892	0.7
159.11684	12.8
159.12903	1.3
161.13283	2.5
163.11205	0.8
164.90253	0.8
167.08636	3.2
168.09253	0.7
169.10110	11.1
170.10960	0.8
171.11665	13.2
172.12077	0.8
173.13231	6.7
175.11182	0.8
175.14844	1.3
179.08493	1.4
181.10106	4.5
183.11708	9.1
185.13246	9.3
187.14854	3.3
189.12827	1.3
193.10123	1.3
194.10927	0.8
195.11652	4.7
197.13229	7.7
199.11276	1.2
199.13257	0.9
199.14801	4.3
201.16382	1.5
205.15883	0.8
207.11734	1.8
209.13269	5.4
211.14777	3.5
213.16463	1.2
221.13316	1.9
223.14862	3.5
225.16417	2.1
235.14798	1.8
237.16388	1.8
239.14299	0.8
239.17899	1.1
241.19733	0.7
247.17024	1.3
249.16423	1.0
251.18022	1.1
259.20511	1.7
261.18588	2.8
269.19028	0.9
275.20154	1.6
283.20575	1.5
291.21021	1.0
295.20712	1.1
297.22195	1.0
311.23718	1.2
313.21619	1.6
315.23218	1.7
321.21689	0.7
323.23825	2.0
327.23083	0.9
333.21716	0.9
335.23505	1.1
339.23285	1.1
341.24741	1.4
353.24576	0.9
362.50946	0.9
387.25186	1.0
389.77109	0.7
393.31699	1.5
403.29974	4.9
421.30975	14.7
439.32043	5.3
457.33264	3.2
459.32800	0.9
477.33829	1.6
495.34595	8.1
513.35748	100.0
514.36243	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	513.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01856	1.2
55.05508	14.4
57.07068	1.7
58.07410	0.9
59.05003	0.9
65.03938	1.5
67.05506	23.1
69.03439	0.9
69.07069	9.5
70.54920	1.0
70.55273	2.8
71.04978	2.2
79.05492	18.0
81.07053	23.3
83.04974	2.3
83.08618	6.3
85.06528	2.0
91.05482	17.0
93.07041	17.8
95.04958	3.0
95.08598	15.7
97.06519	2.3
97.10161	2.9
101.06111	0.9
103.24041	0.8
105.07024	19.5
107.08597	10.0
109.06510	1.7
109.10140	6.3
115.05425	1.0
117.07013	12.2
119.08572	16.7
121.10128	6.2
123.08065	2.0
123.11683	1.1
125.09667	2.2
128.06187	3.8
129.07005	11.3
130.07787	1.0
131.08559	15.9
133.06522	1.1
133.10120	10.6
135.11688	7.2
137.09572	1.3
141.07011	4.1
142.07747	2.6
143.07501	0.6
143.08543	16.2
144.09251	0.8
145.10120	17.5
147.11687	5.5
148.76973	0.9
149.09608	1.8
149.13263	1.5
153.06979	1.0
154.07768	1.1
155.08553	9.2
156.09319	2.7
157.10118	14.6
159.11684	12.4
161.13295	3.1
163.11194	1.3
167.08577	3.0
168.09325	1.4
169.10117	11.5
171.11679	12.5
173.09621	0.8
173.13268	7.8
175.14832	0.8
179.08609	1.3
181.10175	3.8
182.10951	0.9
183.11671	11.0
185.13246	9.0
187.14824	3.8
193.10110	2.1
195.11719	4.4
196.12306	0.8
197.09415	0.9
197.13210	8.5
199.14842	5.1
201.16463	1.4
205.16086	1.1
207.11594	1.9
209.13306	4.1
211.14836	4.3
213.12730	1.3
213.16417	1.9
221.13309	2.6
223.14815	3.4
225.16386	2.0
227.18076	1.5
235.14813	2.2
237.16478	1.5
241.19652	1.3
249.16367	1.3
253.19656	0.9
256.26535	1.3
259.20529	2.0
261.18521	3.2
263.17944	1.2
275.20023	1.1
277.19550	1.2
283.20490	1.9
291.54071	1.0
295.20706	1.5
297.22070	2.8
309.22147	2.1
311.20050	0.9
311.23578	1.1
313.21774	0.9
315.23260	1.9
323.23492	1.3
327.23157	1.5
335.23599	1.3
341.24652	1.1
403.29907	6.4
421.30994	15.7
439.31973	6.6
457.33069	2.6
459.32642	1.0
477.33728	1.6
495.34747	8.7
513.35767	100.0
513.50867	4.8
514.36292	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	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17547	0.7
50.29269	0.8
53.03938	1.7
55.01862	2.8
55.05511	11.6
56.96556	1.7
57.07064	2.9
61.02927	1.0
65.03924	1.7
67.05502	24.8
69.07059	10.6
71.04994	1.9
71.08602	0.9
71.51143	1.0
71.51493	1.0
79.05492	16.7
81.03407	2.0
81.06595	1.5
81.07053	21.5
83.04978	3.1
83.08604	5.9
85.02891	1.9
85.06511	0.9
87.04469	1.0
91.05473	17.8
93.07041	16.9
95.04959	2.6
95.08607	15.2
97.02853	0.9
97.06513	2.7
97.10175	4.4
99.04443	1.1
99.08055	1.0
103.05510	0.7
105.06317	1.1
105.07026	20.7
105.07707	1.6
106.58009	0.7
107.04955	0.8
107.08591	11.9
109.06543	1.8
109.10149	8.1
111.08083	2.3
115.05489	1.9
117.07014	12.0
119.08574	13.7
121.06503	0.9
121.10151	5.8
123.08040	1.2
123.11704	1.6
125.09605	1.7
128.06232	3.5
129.06990	11.5
131.08562	16.1
133.10118	11.7
135.08089	1.1
135.11684	6.2
137.13339	0.9
141.06934	4.2
142.07767	2.9
143.08551	16.1
143.09579	1.4
143.43063	0.8
145.10127	15.3
147.08095	1.0
147.11674	5.2
149.09627	1.6
149.13268	1.9
153.06941	1.2
154.07779	1.8
155.08531	9.3
156.09360	1.3
157.10115	14.2
159.11702	12.3
161.09651	0.8
161.13275	2.0
165.06920	1.1
167.08580	3.0
169.10117	10.9
170.10866	1.2
171.11694	13.5
173.09564	0.9
173.13237	4.9
175.14841	1.0
181.05042	0.9
181.10112	6.3
183.11658	10.2
185.09714	1.1
185.11606	1.2
185.13213	9.1
187.11285	1.1
187.14874	2.8
189.16525	1.0
193.10126	1.9
195.11642	5.4
197.13242	10.9
199.14790	5.7
201.16316	1.4
207.11710	2.4
209.13297	5.0
211.14832	4.7
213.16464	3.1
221.13275	2.5
223.14835	3.3
225.16359	3.0
235.14720	2.0
237.16374	2.3
239.18045	1.0
241.19475	1.8
247.16946	1.5
249.16347	1.6
251.18117	1.1
257.26617	1.3
259.20419	2.1
261.18680	1.7
263.17831	2.0
265.19501	1.1
269.10632	1.2
269.19003	1.8
279.21158	1.0
283.20456	1.8
295.20441	1.0
297.22116	1.6
301.21683	1.6
301.59006	0.8
309.22192	1.7
311.23807	1.5
313.21857	1.1
315.23315	2.5
321.22147	1.4
323.23834	1.9
339.23105	1.4
353.24808	1.2
368.18530	1.0
393.31537	1.5
403.30154	4.9
421.31006	18.1
422.31210	1.2
439.32172	5.6
457.33179	2.7
459.32632	1.3
470.84354	1.1
477.33609	1.6
495.34750	7.4
513.35767	100.0
513.50732	2.3
514.36298	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03928	2.0
55.05516	10.0
57.03423	5.0
61.02929	11.8
67.05500	24.3
69.03425	4.9
69.07065	9.8
69.36384	14.4
71.04980	1.8
72.38114	2.0
73.02906	5.7
79.05488	27.8
81.03411	3.6
81.07052	33.5
83.04964	2.8
83.08614	4.0
85.02898	9.8
85.06525	4.4
91.03973	8.4
91.05476	23.1
93.06488	3.3
93.07041	40.3
95.04945	4.1
95.08604	24.4
97.02882	8.0
97.06538	2.2
98.21487	2.7
99.04471	2.1
99.08125	2.6
99.58070	1.6
105.07030	26.8
107.04920	2.3
107.08588	28.7
109.06505	3.2
109.10165	8.5
117.06995	6.2
119.08576	24.2
121.10138	25.9
123.11679	2.9
127.03899	2.2
129.05493	2.4
129.06993	7.5
131.08572	14.2
133.10118	26.5
135.11671	25.1
137.09612	3.3
143.08543	7.3
145.10088	15.4
147.08093	3.3
147.11656	21.3
149.09648	2.6
149.13254	15.3
157.10094	7.2
159.04811	2.1
159.11697	9.7
161.13255	20.1
163.11217	2.1
163.14798	6.5
169.10176	3.0
171.11644	8.5
173.13268	7.5
175.14838	10.1
185.13220	9.0
187.14777	3.2
189.12766	2.7
199.14873	4.0
213.16379	3.4
217.15829	2.4
217.19496	3.9
231.21043	4.2
241.19484	23.2
259.20572	47.6
277.21530	6.1
304.08746	1.8
333.24182	10.0
349.23709	6.0
351.25275	100.0
352.25671	3.5
361.23785	1.8
363.25208	1.8
367.22742	3.5
375.25467	2.5
441.26367	5.4
459.27429	6.1
477.28052	2.3
495.29529	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.9
55.01855	5.7
55.05510	24.7
57.03419	13.3
61.02926	31.3
67.05504	51.0
69.03415	16.6
69.07061	16.1
71.04988	4.7
71.51167	10.1
73.02930	8.5
79.05492	46.0
80.73840	5.8
81.03399	11.4
81.07045	48.0
83.04973	6.7
83.08605	14.2
85.02905	29.5
90.99679	4.9
91.03938	15.6
91.05462	49.0
93.07046	56.1
95.04974	12.4
95.08599	34.2
97.02887	21.4
97.06537	9.0
100.92672	4.6
105.07024	57.6
107.08584	40.8
109.10137	16.6
111.08100	6.2
117.07007	13.6
119.08577	53.9
121.10133	26.1
121.10882	5.2
127.03899	8.5
129.06998	12.3
131.08582	26.0
133.10123	41.0
135.11668	32.9
143.08566	12.3
145.10141	32.4
147.11693	33.5
149.13249	18.6
155.08452	5.2
157.10109	17.2
159.11676	29.2
161.13217	24.9
167.08432	5.8
171.11687	21.5
173.09579	4.8
173.11847	6.1
173.13269	19.8
175.11165	7.1
175.14841	13.5
183.11798	9.9
185.13271	12.3
187.14880	7.6
199.14775	9.2
239.14268	6.0
241.19545	20.1
259.20517	62.5
275.20129	7.0
276.20557	6.3
277.20956	5.7
301.21732	5.5
349.23865	7.1
351.25284	100.0
367.22632	6.7
385.23560	6.5
403.24765	9.0
404.93390	5.1
421.25879	16.8
441.26065	7.8
477.28589	6.2
495.29428	12.5
513.36401	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05507	12.6
57.03430	9.0
57.07076	3.2
61.02922	22.0
67.05505	25.4
69.03426	6.3
69.07055	10.7
71.05006	3.7
71.08617	4.8
73.02912	8.5
73.06544	2.5
75.21147	2.1
79.05489	28.3
81.03408	6.1
81.07053	32.3
83.04978	4.6
83.08611	3.7
85.02885	14.5
85.06521	3.3
91.03938	9.5
91.05484	27.0
93.07042	50.1
95.04963	3.0
95.08604	23.3
97.02870	12.9
97.06538	2.8
99.04425	2.5
99.08087	7.0
105.07041	23.9
107.04985	3.2
107.08601	25.9
109.02863	3.9
109.10148	9.6
117.06995	6.0
119.08565	28.0
121.10155	22.1
127.03929	4.2
129.06993	6.5
131.08559	11.6
133.10107	26.4
135.11694	24.0
140.01093	2.1
143.08530	5.3
145.10123	19.0
147.11670	23.7
149.13229	13.8
151.11090	2.8
155.08470	2.3
157.10094	6.7
159.11745	10.2
161.09682	2.5
161.13264	19.6
163.11186	2.3
163.14787	3.9
171.11650	13.1
173.13278	4.0
175.14818	9.2
179.14331	23.9
183.11676	2.5
185.13240	6.8
189.12775	3.3
199.14807	4.4
208.80101	2.8
217.19443	3.2
229.67770	2.3
231.21101	4.6
241.19470	18.3
259.20578	38.4
277.21686	21.5
295.32117	2.5
333.24185	3.9
349.23700	3.4
351.25287	100.0
351.29645	5.2
363.25339	2.4
375.24997	3.6
376.16422	2.5
417.51352	2.5
441.26236	4.6
495.29337	4.9
513.30176	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	513.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32587	3.5
59.04994	7.8
62.68528	3.9
67.05488	12.4
69.03424	6.9
69.07074	6.6
69.48485	30.0
71.04977	16.0
72.99502	4.1
77.02314	4.1
79.05484	16.8
79.64443	4.9
81.03406	8.5
81.07063	42.6
83.04968	3.9
85.02876	9.3
85.06503	3.8
91.05503	4.8
93.07035	15.8
95.04949	16.5
95.08601	15.5
97.02899	7.6
97.06525	13.1
97.14008	3.8
98.06023	5.2
101.50456	4.4
105.07043	7.6
106.59726	4.2
108.19065	3.6
109.38874	4.2
121.10136	100.0
123.11696	32.6
125.05978	12.5
125.09628	6.8
127.03901	6.7
131.07027	4.1
139.11172	27.7
143.10657	9.0
146.05981	14.0
147.04372	4.9
149.09634	11.9
150.28467	4.8
153.01868	8.0
167.09296	4.8
167.10675	65.7
175.03967	4.9
185.11720	29.4
190.68860	3.7
279.06509	5.8
316.09692	4.9
329.15970	8.8
334.10727	10.0
513.16125	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	513.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05502	0.8
58.73247	0.4
67.05492	1.1
69.03406	1.0
69.07047	0.8
72.26833	0.4
73.78574	0.4
79.05493	1.2
81.03415	0.8
81.07050	2.1
83.04959	0.6
83.08607	0.6
85.02905	0.8
85.06512	0.8
91.05476	1.5
93.07048	2.2
95.04959	1.0
95.08591	2.0
96.35841	0.3
97.02864	0.7
97.06518	0.9
98.89518	0.5
99.04432	0.7
105.07020	1.8
107.04932	0.5
107.08573	1.5
109.02887	0.8
109.06511	0.8
109.10140	1.3
119.04986	0.5
119.08559	1.8
121.06490	0.6
121.10133	2.5
123.04498	0.5
123.08068	1.4
125.09650	0.4
127.03865	0.7
131.08604	0.9
133.10144	1.1
135.08044	0.8
137.05994	0.6
137.09618	0.8
145.06505	0.4
145.10127	0.9
147.04388	0.9
147.08037	0.6
147.11679	0.6
149.09673	0.9
157.10120	0.7
159.04192	0.5
159.11658	0.5
161.09573	0.8
165.09111	1.2
167.07071	0.3
167.10687	0.6
173.09666	0.5
175.03902	0.6
183.06467	0.4
185.04240	0.7
201.09109	0.4
207.06503	1.2
277.08365	0.9
291.09964	1.2
315.19724	0.6
333.20590	0.5
334.10541	0.5
350.14914	2.5
351.15646	5.7
364.95029	0.4
513.20923	100.0
514.21326	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	513.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11455	0.4
55.01867	0.6
57.03426	1.2
61.02908	1.5
69.03426	4.5
70.56547	0.9
70.56906	1.2
70.80451	0.5
71.05006	0.5
73.02911	0.7
81.03396	2.2
85.02904	8.3
97.02872	3.8
109.02821	0.8
117.05749	0.5
118.06567	1.0
121.02878	0.5
123.04419	0.6
127.03912	2.1
130.06522	0.8
134.05986	0.6
144.08061	6.1
145.04929	0.9
146.06000	100.0
147.04391	0.6
147.06326	1.3
149.02330	0.7
154.06564	0.9
158.06029	1.0
159.06749	1.7
160.07579	2.8
161.10779	0.7
175.03897	4.7
184.07503	1.1
188.07082	0.8
241.08861	0.8
242.09590	1.1
243.07944	0.6
245.08395	0.5
257.08344	2.5
260.10678	1.3
270.09137	6.7
271.07373	2.8
271.09933	0.6
272.10733	2.9
273.07953	3.0
286.08487	1.1
288.10120	6.1
289.08307	0.5
292.09457	0.7
297.07776	0.8
298.08603	11.3
299.06671	1.3
299.09830	2.5
300.06485	0.8
301.07315	23.6
302.07907	1.3
304.09677	1.5
306.10895	0.5
315.08829	1.1
316.09665	51.5
317.10098	1.1
318.07559	0.5
322.10773	1.3
328.09616	0.7
334.10718	72.0
335.10989	2.0
346.10727	0.7
351.13351	20.6
352.13953	0.6
358.10580	0.9
376.11795	1.4
393.14453	0.5
448.13904	2.1
478.14832	0.7
495.17844	1.1
496.15884	1.3
513.18793	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	513.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
57.03421	1.0
60.13528	0.6
61.02915	1.3
69.03428	4.4
70.55662	0.6
70.96609	1.6
73.02905	0.7
81.03416	2.5
82.17332	0.6
85.02894	7.6
87.04469	0.8
97.02873	2.9
109.02921	0.7
118.06494	1.2
121.02882	0.7
121.10131	0.9
126.83598	0.7
127.03906	1.5
130.06467	0.8
133.05154	0.6
137.82433	0.7
144.08099	2.1
146.06003	100.0
147.04420	1.1
147.06281	1.0
154.06552	0.6
158.06042	1.0
159.06757	1.4
160.07533	3.0
167.10689	0.9
175.03925	4.9
184.07622	0.7
188.07217	0.6
201.05406	0.8
242.09666	0.9
243.08102	0.9
245.08257	0.8
257.08344	2.6
258.08997	0.6
260.10730	1.4
270.09171	6.1
271.07324	3.2
272.07712	0.6
272.10623	3.5
273.07852	2.5
274.08798	0.6
286.08615	1.3
288.10172	7.1
297.07843	0.9
298.08612	10.6
299.06903	2.4
299.09738	1.5
301.07315	24.8
302.07904	1.6
304.09756	1.6
314.08200	0.6
315.08969	1.1
316.09668	48.3
317.10089	1.7
318.07803	0.7
322.10620	1.5
334.10721	60.6
335.11008	1.7
351.13348	24.0
351.96945	0.7
376.11511	1.1
448.14288	1.8
458.07288	0.7
496.16019	2.2
513.17969	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	513.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01875	1.7
56.67897	0.7
57.03426	3.6
57.74936	0.8
59.31007	0.7
61.02918	2.1
69.03434	13.0
69.08859	0.7
69.84138	4.5
71.04996	1.7
79.05479	1.1
81.03419	4.1
81.07039	1.5
85.02905	36.7
86.69827	0.7
87.04472	1.6
91.05496	1.0
93.07029	1.6
95.08588	1.8
97.02885	8.6
98.20847	1.4
99.04444	2.3
107.08599	1.6
109.02877	4.2
109.06512	0.8
109.10133	1.2
121.02838	4.8
127.03922	7.2
130.40096	0.8
131.08545	0.8
145.04955	2.6
145.10196	0.9
147.04427	2.1
159.04410	0.9
175.03914	9.5
176.04680	1.0
177.05489	6.2
199.03964	1.5
199.21432	0.8
203.08522	0.9
213.05438	0.8
215.08582	0.9
231.07964	4.8
249.08992	1.0
259.07593	6.5
260.08096	0.9
263.07040	2.1
271.07428	1.0
275.98938	0.9
277.08536	6.3
283.07541	1.5
287.06992	20.8
288.07715	2.1
291.06631	4.4
301.08533	1.3
303.06509	1.9
304.07230	0.9
305.08078	16.6
311.07074	1.9
315.06482	24.6
316.07303	6.1
317.07919	2.0
329.07996	3.4
331.06082	1.5
332.06848	3.2
333.07556	100.0
334.07840	2.2
339.06583	2.2
340.07123	1.0
341.07843	0.9
343.06021	0.9
345.07547	6.6
347.05539	1.4
347.09531	1.4
351.08603	58.0
357.07471	9.4
361.07028	2.5
363.08713	1.3
373.07367	1.1
375.08624	6.1
399.08594	3.7
423.08691	2.2
429.09802	1.9
441.09534	1.7
459.10742	1.6
513.13373	1.6
513.19623	2.2
513.26385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05506	1.8
57.03428	2.5
59.05003	1.9
59.06116	0.9
60.05667	0.7
61.02927	2.6
69.03430	7.1
69.07069	1.1
71.02837	1.1
71.03174	1.8
71.04987	15.8
73.02901	1.8
73.06545	2.7
75.53806	0.8
79.05486	3.4
81.03410	2.5
81.07054	16.4
85.02905	42.6
87.04473	0.9
91.03936	1.7
91.05482	1.8
93.07043	11.2
95.08611	1.4
97.02896	11.0
97.06515	1.0
99.04427	0.9
107.08588	8.4
108.22163	0.8
109.02871	3.2
109.10152	1.0
127.03899	15.0
135.11693	20.4
145.04950	20.7
153.12737	100.0
163.06012	10.7
170.05769	2.6
181.04932	1.6
187.91595	0.8
188.03778	1.7
218.32033	0.8
257.45084	0.9
325.11322	1.2
453.34113	1.5
454.34787	1.3
459.26212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01862	1.7
57.29585	1.2
59.04992	2.1
60.50777	1.3
61.02934	1.9
66.39329	1.3
67.05500	2.0
69.03417	6.3
69.07030	2.3
70.69418	4.6
70.98055	1.5
71.05019	1.4
73.02893	1.6
77.85136	1.3
79.05482	14.9
81.03406	3.4
81.07059	7.7
85.02904	29.6
87.04469	1.3
91.05470	5.6
93.07043	31.4
95.04946	3.0
95.08595	4.8
97.02886	6.8
97.06540	3.4
99.04387	1.4
106.02919	2.0
106.06583	1.4
107.08596	27.0
109.02837	3.6
109.10146	2.5
119.08583	2.7
121.10130	11.4
122.27400	1.4
123.04460	2.0
123.08058	1.9
123.11687	4.1
124.03961	3.3
125.05979	1.8
127.02595	1.4
127.03905	8.2
135.11688	100.0
137.09607	1.8
138.05490	1.7
139.11143	3.6
140.85522	1.3
143.08171	1.8
143.53026	1.5
145.04979	9.3
149.09666	3.0
149.92783	1.3
152.07094	2.2
153.01884	2.6
153.12726	6.1
155.43498	1.4
163.06046	6.4
167.10707	7.5
183.10173	4.0
268.08105	1.6
279.06506	1.5
297.16815	3.1
315.18121	2.2
320.06900	1.5
323.67297	1.5
325.11334	2.2
349.01999	1.5
512.15936	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43852	2.0
53.03941	11.2
54.17496	2.0
55.01871	56.9
55.05511	59.9
57.03434	30.3
57.07076	22.3
61.02926	2.3
65.03940	4.3
67.05504	95.3
69.03426	20.7
69.07067	33.5
70.04213	2.2
70.69616	5.0
70.69954	2.8
71.04995	14.3
73.02914	6.5
79.05492	80.5
81.03414	100.0
81.07054	86.1
82.04210	14.4
83.04978	51.0
83.08615	44.5
84.05751	5.1
85.02393	2.2
85.02901	45.8
85.03387	3.8
85.06544	10.1
91.04908	4.4
91.05479	89.6
93.07042	61.5
94.04220	2.9
94.07830	2.5
95.04968	64.1
95.07999	2.8
95.08602	36.1
97.02868	11.9
97.06532	25.8
97.10173	18.3
98.03678	2.5
98.07307	13.5
99.04462	2.9
99.08098	7.3
105.07034	58.1
107.04956	24.0
107.08597	29.0
108.05264	2.8
109.02869	4.4
109.06487	17.6
109.10153	27.3
111.04453	10.2
111.08080	27.4
113.06000	5.1
115.05434	4.2
116.04742	3.0
117.06986	11.0
119.08580	51.1
119.09380	3.8
120.09387	2.3
121.06495	8.4
121.10152	23.3
123.04459	4.1
123.08060	14.8
123.11674	2.8
125.06000	4.6
125.09622	22.5
127.03918	2.5
127.07546	5.6
127.11225	8.1
128.06160	3.0
129.05487	4.9
129.06987	26.9
131.08566	32.2
133.06500	6.3
133.10135	33.8
135.08040	6.1
135.11702	10.0
136.08826	3.4
137.06003	6.0
137.09601	8.7
139.07518	4.9
139.11185	2.3
142.07776	7.1
145.10104	11.6
147.08076	11.4
147.11673	30.1
149.06018	2.7
149.09631	14.2
151.11198	4.4
153.09149	5.9
153.12793	2.2
155.08626	2.3
157.08749	3.5
157.10118	29.4
158.05739	12.3
159.06482	2.1
159.11740	3.8
161.09579	3.9
163.03984	2.4
163.11179	8.8
164.11963	3.9
165.09131	5.9
165.12762	9.3
171.06526	21.8
171.10175	3.1
171.11566	2.5
173.09558	2.7
175.11182	27.2
175.69025	2.6
181.12225	4.4
185.08113	7.3
189.11195	3.5
189.12819	2.4
189.16507	2.7
190.04758	4.4
191.10684	3.8
192.11427	2.9
193.12242	83.3
199.09668	7.2
199.13377	9.2
201.14809	5.0
203.14323	2.4
209.11664	10.3
211.13284	95.6
213.11166	2.8
227.12805	15.5
229.70287	2.3
241.14372	2.8
242.15169	2.1
249.15019	2.1
255.15889	13.8
267.15878	12.5
269.17648	3.6
283.15488	5.8
283.18890	2.4
284.16589	2.5
285.17056	9.6
298.17657	2.9
301.16602	3.7
311.18570	6.3
311.22263	5.0
339.17990	14.2
339.21817	7.2
349.24219	2.7
353.19620	2.7
353.23441	2.4
367.21255	7.0
381.22693	3.6
382.27158	6.1
409.25821	7.1
437.25198	4.1
439.27078	10.3
469.09146	3.1
475.27048	3.3
493.28067	10.6
494.28635	7.6
511.20712	2.8
511.29016	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96699	2.6
51.02377	3.6
53.00309	2.9
53.03935	10.8
55.01865	8.7
55.05515	32.5
57.03429	29.7
57.07067	3.6
61.02920	16.7
65.03943	3.9
67.05507	80.0
69.03429	54.2
69.07069	38.5
71.04984	13.9
73.02902	11.5
79.05495	65.6
81.03419	68.4
81.07056	100.0
83.04983	30.3
83.08615	17.4
85.02905	41.0
85.06525	5.4
87.04451	5.6
91.03931	8.6
91.05480	69.0
93.06491	5.2
93.07040	66.3
95.04979	19.8
95.08608	43.6
97.02894	48.1
97.06532	21.0
97.10174	7.9
97.59352	3.2
98.20814	8.3
99.04449	12.8
99.08070	10.0
101.02380	7.1
103.03940	5.6
103.05471	4.7
105.07029	58.1
107.04958	10.5
107.08573	37.8
109.02863	13.3
109.06524	10.6
109.10166	26.5
111.04440	8.3
111.08065	12.1
115.03903	3.9
115.05486	3.2
117.07020	23.8
119.08566	42.5
121.06509	11.8
121.10123	23.7
123.04366	4.0
123.08064	10.4
123.11697	10.8
125.09632	5.2
126.91268	3.3
127.03923	25.7
128.06197	5.1
129.05470	12.2
129.06987	9.2
131.08582	30.3
132.64526	2.8
133.06471	4.5
133.10139	47.6
135.08037	10.3
135.11710	15.9
137.05951	3.3
137.09598	5.1
137.13211	3.3
138.31976	2.8
143.08571	13.7
145.04985	6.3
145.10120	24.2
147.07973	3.9
147.11682	19.8
149.09631	15.5
149.13269	15.1
155.08475	6.5
157.10117	15.9
159.08072	3.9
159.11699	28.3
160.19666	3.1
161.13240	8.6
163.07471	2.9
163.11176	8.5
165.09154	3.1
169.10051	5.7
171.11671	7.7
173.04495	13.5
173.13219	10.8
175.11209	3.6
177.12718	9.7
179.14273	4.3
183.06448	4.4
183.13712	3.1
185.13220	4.6
195.13820	9.4
197.13239	5.9
225.11217	3.3
229.19496	7.4
247.20602	5.4
257.19110	15.8
269.17462	14.6
275.20071	59.9
291.19525	7.5
297.17017	7.4
349.23752	66.0
413.21732	15.4
468.46466	3.8
493.27902	6.8
511.28760	29.5
511.34912	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01865	18.8
55.05515	20.0
57.03443	13.2
61.02930	27.3
64.82138	2.3
65.03936	4.0
65.24840	2.4
67.05502	51.9
67.52578	2.0
69.03431	19.2
69.07066	35.5
70.08330	10.0
71.01353	2.2
71.02419	2.3
71.04998	12.7
73.02923	12.5
77.86971	2.1
79.05494	40.1
79.17286	1.9
81.03417	35.8
81.07053	68.9
83.04975	12.5
83.08608	12.2
85.02901	30.9
85.06529	3.6
86.09698	2.6
91.03956	19.1
91.05480	56.3
93.07035	40.4
95.01340	7.1
95.04970	18.8
95.08608	32.8
97.02893	24.1
97.06529	30.1
97.10153	5.0
99.04437	4.8
101.02389	5.2
103.03941	4.6
103.05399	2.4
105.07028	81.1
107.04958	17.8
107.08579	22.4
108.95306	2.1
109.02861	6.1
109.06518	8.2
109.10159	13.6
111.04443	5.4
111.08065	8.2
115.05383	1.8
116.37847	2.1
117.06999	14.8
119.08575	44.6
121.06503	5.9
121.10137	12.9
123.04433	6.0
123.08054	7.1
123.11694	3.9
124.18589	2.2
125.09603	5.1
127.03905	10.9
127.07621	2.9
129.06981	6.8
131.08562	22.7
133.06471	2.4
133.10127	56.7
135.08041	5.1
135.11708	11.0
137.05972	3.0
137.09599	6.0
139.07550	3.9
141.06911	1.8
143.08540	5.6
145.05092	2.5
145.06433	2.9
145.10124	20.9
147.08072	2.7
147.11667	21.1
149.09651	10.4
149.13243	6.8
151.11218	4.4
157.10129	7.1
159.08066	4.2
159.11707	14.9
160.07625	12.1
160.08693	2.1
161.09636	2.5
161.13258	8.6
163.11195	8.4
163.14822	2.0
165.09167	4.9
165.12837	2.5
169.10112	2.9
171.11644	3.9
173.13388	3.9
175.11205	5.5
177.12729	6.2
179.14297	16.4
181.10210	2.5
181.12009	2.3
183.06593	3.6
183.11665	2.3
187.11205	5.5
187.92735	2.0
193.12254	11.2
195.13789	2.8
211.13318	6.9
239.17993	3.4
241.14381	2.2
247.20694	3.3
257.19003	11.8
264.47128	2.7
275.20050	100.0
278.59003	2.9
349.23700	38.3
354.34476	2.2
377.22849	2.9
391.24911	2.4
404.56281	2.3
467.30099	2.6
493.28262	4.6
511.28308	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	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.7
54.00439	2.0
55.01868	11.0
55.05503	15.7
57.03426	10.7
61.02927	32.6
67.05501	32.0
69.03419	18.3
69.07062	30.3
69.84462	11.8
71.01343	2.6
71.04981	7.1
73.02913	13.5
79.05063	3.5
79.05493	29.2
81.03415	18.2
81.07052	45.6
83.04967	9.5
83.08621	10.0
85.02896	27.8
85.64559	1.9
91.03949	14.8
91.05473	48.0
93.07047	28.8
95.01326	6.1
95.04950	13.2
95.08598	28.9
97.02893	18.7
97.06525	23.1
97.10186	4.2
99.04451	5.2
101.02392	6.6
103.03923	2.1
105.06319	3.4
105.07022	69.3
107.04943	15.5
107.08588	17.1
109.02871	7.3
109.06505	6.1
109.10131	8.7
111.08064	3.4
115.03934	2.4
117.07003	11.5
119.08581	34.2
121.06506	3.7
121.10085	9.6
123.04466	3.9
123.08067	5.3
123.11674	3.4
125.09608	3.5
127.03893	12.4
129.07013	3.4
131.08554	24.4
133.10121	40.5
135.08017	4.9
135.11676	8.5
139.07520	2.6
143.08546	7.0
145.04948	2.2
145.06483	3.1
145.10112	19.9
147.11674	18.1
149.09610	5.6
149.13242	5.8
151.11174	3.9
157.10066	5.6
159.11679	11.2
161.09575	2.4
161.13272	7.3
162.09151	2.8
163.11143	3.5
165.12793	2.2
169.10081	3.1
171.11568	4.4
173.13274	4.0
175.11081	2.0
177.12718	4.7
178.48865	2.2
179.14282	20.2
181.81445	2.0
183.11565	3.3
185.13264	2.1
187.11226	3.7
197.13266	4.8
229.19682	3.2
233.15421	2.8
239.17900	3.8
241.14276	3.4
247.20540	3.0
257.18924	6.9
259.18893	2.6
273.20447	3.0
274.21243	2.6
275.20041	100.0
293.20905	3.7
349.23721	43.1
377.23477	3.4
493.27847	2.8
511.28510	7.3
511.35742	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.9
55.01878	14.8
55.05510	31.7
57.03436	20.6
57.07074	2.9
61.02921	14.1
65.03926	4.1
67.05503	63.2
69.03423	40.3
69.07070	32.7
70.43188	10.0
70.43530	3.0
71.01327	4.4
71.04996	18.0
73.02888	6.0
79.05490	63.9
81.03416	59.8
81.07053	100.0
83.01338	2.9
83.04975	21.8
83.08617	16.7
85.02897	35.8
85.06499	3.6
91.03954	6.9
91.05478	61.3
93.06483	5.9
93.07039	71.0
95.04966	23.8
95.08607	40.9
97.02899	35.7
97.06535	20.5
97.10148	9.3
99.04456	11.2
99.08074	5.7
101.02367	5.0
103.03947	4.7
105.07030	59.5
107.04951	13.7
107.08595	43.0
109.02886	12.0
109.06497	10.5
109.10171	24.6
111.04416	8.1
111.08067	9.1
117.07012	21.4
119.05035	3.3
119.08584	41.9
121.06492	10.4
121.10131	18.9
123.08055	8.2
123.11675	9.2
125.09606	8.5
127.03908	21.0
129.05493	7.2
129.06995	14.1
130.01532	3.0
131.08575	26.1
133.06488	5.8
133.10135	35.4
135.08044	6.5
135.11671	17.5
137.06003	4.2
137.09593	5.0
141.06993	5.1
142.07721	3.1
143.08577	9.5
145.04968	5.3
145.10094	29.1
147.08041	4.2
147.11705	15.1
149.09595	16.2
149.13237	13.6
151.11182	7.3
155.08519	4.8
157.10115	10.5
159.08011	5.1
159.11670	22.7
161.09561	6.4
161.13292	8.5
163.11176	12.2
165.09132	3.5
165.12733	4.0
169.10129	8.4
171.11674	8.5
173.04474	8.1
173.09564	6.6
173.11877	4.0
173.13257	12.0
175.11171	6.3
175.14757	5.7
177.12727	5.9
179.14311	2.8
183.11685	5.5
185.13219	5.7
187.11179	3.3
187.14868	3.7
193.12234	13.2
195.13803	11.7
197.13297	4.0
200.81813	3.1
202.98764	3.0
211.13213	15.1
215.17931	3.6
217.08118	3.0
217.15845	4.4
225.11209	3.2
229.19441	7.6
239.18025	7.0
247.20418	5.6
257.19058	13.7
267.15860	3.0
268.04736	3.3
269.17456	10.9
275.20047	61.5
291.19516	5.7
293.21005	3.7
331.22382	4.3
349.23697	45.0
413.21738	12.4
467.29654	6.4
493.27670	3.9
511.29269	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	511.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
56.59261	2.7
57.03432	4.3
57.86389	2.7
59.05000	44.9
63.23524	2.7
66.35647	2.8
67.05502	15.2
69.03433	18.1
69.07050	12.5
70.06575	3.1
71.04997	5.1
71.49393	3.3
71.49740	4.3
79.05487	11.0
81.03413	7.2
81.04536	26.0
81.07044	10.2
83.04995	7.1
85.02896	9.0
90.10585	2.9
91.05466	8.6
91.34951	2.6
93.07026	11.7
95.04948	10.9
95.06089	16.5
95.08605	48.5
97.02859	4.8
97.06531	15.0
98.97557	3.0
99.04444	3.8
103.05460	3.1
105.07046	8.7
107.04909	5.0
109.02882	40.1
109.10162	36.6
111.04427	4.2
119.04936	11.5
119.08573	20.0
121.02720	3.0
121.10146	27.0
123.08066	59.3
124.08438	5.2
125.06049	3.9
125.07120	26.9
127.03913	4.8
131.07051	3.1
137.08662	4.2
137.09628	38.3
137.10635	5.3
139.03807	3.5
139.11140	5.2
141.09116	20.7
143.08153	100.0
147.04413	11.5
147.08044	6.4
149.08067	3.5
153.01816	6.6
165.09114	51.2
166.09486	4.4
167.06918	3.7
175.03922	22.5
177.05515	4.2
181.04980	2.7
183.10172	97.8
183.11797	5.9
184.10472	8.9
193.04968	8.7
201.11166	10.3
207.06552	23.4
208.09799	3.0
216.68018	2.8
223.06450	3.0
279.06235	3.0
295.06094	5.8
305.13553	3.6
319.05957	4.5
320.09171	5.1
331.06085	4.5
345.15433	9.6
349.11786	5.4
382.93985	3.2
451.07822	4.0
511.17517	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	511.1941
Annotation	Physalin B
Peak:m/z	Relative Intensity
52.11461	0.3
53.03937	0.7
55.01858	0.9
55.05513	2.1
57.03426	0.9
57.07066	0.4
67.05502	3.6
69.03416	1.0
69.07046	1.3
69.86988	1.3
70.24585	0.3
71.04948	0.4
79.05488	2.5
81.03419	3.0
81.07059	3.6
83.04992	1.9
83.08617	1.5
83.12881	0.3
85.02905	1.5
85.06549	0.8
91.05473	3.8
93.07037	3.2
95.04962	2.6
95.08588	2.0
97.02901	0.6
97.06523	1.3
97.10166	0.6
98.07311	0.5
99.04482	0.3
99.08037	0.3
105.07028	2.5
107.04952	1.0
107.08588	2.0
109.02911	0.4
109.06540	0.8
109.10126	1.7
111.04454	0.4
111.08070	0.7
111.11734	0.3
117.06985	0.5
119.08569	2.0
119.57152	0.3
121.06483	0.6
121.10139	1.8
123.08054	0.6
123.11699	0.6
125.05988	0.5
125.09624	1.1
128.06175	0.4
129.06996	0.7
131.08551	1.3
133.10115	1.6
135.08080	0.5
135.11729	0.9
137.05963	1.4
137.09593	0.5
142.07756	0.3
143.08580	0.4
145.10103	1.1
147.04427	0.3
147.08041	0.6
147.11678	1.2
149.06017	0.4
149.09615	1.0
153.09081	0.5
157.10117	1.2
158.05693	0.4
159.11694	0.5
161.13190	0.5
163.11171	0.8
165.09151	0.4
165.12747	0.8
167.10669	0.4
171.06490	0.6
171.07971	0.4
173.09564	0.5
175.11201	0.7
185.04263	0.3
189.12724	0.3
193.12210	2.7
209.11644	0.3
211.13234	2.5
226.42494	0.3
227.12799	0.5
255.15887	0.4
267.15848	0.5
277.08304	1.6
278.09070	0.4
283.15497	0.3
291.09857	1.0
316.05658	0.4
317.06573	0.7
334.11823	0.6
336.12894	0.3
339.17984	0.4
348.13367	1.1
349.14096	11.7
357.81619	0.4
438.94672	0.4
493.28259	0.5
511.19370	100.0
512.19836	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	511.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04045	0.4
51.32425	0.4
53.03896	0.7
53.51245	0.4
55.01831	0.9
55.07013	0.4
56.02709	0.5
57.03387	1.0
61.02869	1.1
62.12460	0.4
69.03423	3.7
69.26178	2.2
69.26601	2.4
71.04945	1.0
73.02857	0.6
79.05414	0.5
81.03345	1.7
83.04914	0.7
85.02902	9.1
87.04419	0.5
91.03878	0.5
93.07002	0.5
95.04858	0.5
97.02887	3.1
98.20875	1.5
99.04372	1.1
103.48891	0.4
108.85668	0.6
109.02794	1.5
118.80693	0.4
121.10057	0.4
127.03819	1.5
137.05893	0.6
145.04865	1.3
146.91405	0.4
149.09523	0.7
153.01718	0.6
167.07018	0.7
183.06914	2.5
183.10046	0.6
201.17305	0.5
219.08015	1.0
231.07970	1.2
233.05861	1.1
247.07536	4.2
249.05554	0.9
251.06992	0.7
257.05917	1.7
259.07544	0.6
261.05460	1.6
263.07162	0.9
266.05600	1.4
275.07050	7.5
279.06473	3.0
285.05417	2.2
286.06177	0.8
287.06952	1.0
289.04865	1.2
293.08032	0.7
295.05893	1.2
302.05588	0.9
303.06479	23.3
304.07053	1.6
313.04913	2.3
314.05716	0.7
321.07614	4.3
331.05988	83.7
332.06723	25.3
333.07178	0.6
346.04483	0.7
347.05530	0.8
348.06244	2.4
349.07050	100.0
350.07452	3.0
497.79489	0.5
511.13025	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	510.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31981	0.8
55.01860	0.8
55.05505	2.3
57.03426	2.2
57.38238	0.8
59.04994	1.0
61.02926	1.2
67.05490	2.4
69.03413	6.0
69.07060	2.2
71.04968	1.5
73.02911	2.0
79.05487	3.3
81.03397	3.6
81.07065	5.5
83.04975	1.7
85.02904	16.9
91.05489	5.3
93.07027	3.4
95.04932	2.0
95.08588	3.6
97.02880	5.6
97.06523	1.0
98.97587	1.0
105.07017	2.9
107.04956	54.0
107.08574	2.6
109.02872	1.5
109.06496	2.0
109.10140	1.8
109.64710	0.9
109.91846	0.9
115.05399	0.9
119.08557	2.9
121.06468	4.4
121.10126	2.7
122.03661	2.9
123.04411	2.0
123.08045	1.1
127.03917	3.7
131.04945	1.1
131.08577	1.3
133.06511	7.9
137.05974	100.0
138.06308	2.2
139.03821	1.0
145.04967	2.6
145.06494	2.3
147.04420	2.4
147.08044	6.6
147.11702	1.1
149.09625	1.4
151.07553	1.5
151.11174	1.1
152.07050	1.1
159.07954	0.9
161.05946	1.2
163.03900	1.0
163.07584	1.4
165.09068	1.2
167.07002	5.0
167.10681	1.0
168.07378	0.9
177.05516	1.3
177.09094	2.4
180.08690	1.6
187.11153	6.4
189.12730	16.7
192.07776	1.1
211.07138	1.0
211.13213	1.5
219.13795	5.0
281.15271	1.5
283.15436	1.0
285.07474	2.2
313.17960	46.5
314.18256	1.6
371.08868	1.3
461.08716	1.5
511.12280	6.7
511.18997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31981	0.8
55.01860	0.8
55.05505	2.3
57.03426	2.2
57.38238	0.8
59.04994	1.0
61.02926	1.2
67.05490	2.4
69.03413	6.0
69.07060	2.2
71.04968	1.5
73.02911	2.0
79.05487	3.3
81.03397	3.6
81.07065	5.5
83.04975	1.7
85.02904	16.9
91.05489	5.3
93.07027	3.4
95.04932	2.0
95.08588	3.6
97.02880	5.6
97.06523	1.0
98.97587	1.0
105.07017	2.9
107.04956	54.0
107.08574	2.6
109.02872	1.5
109.06496	2.0
109.10140	1.8
109.64710	0.9
109.91846	0.9
115.05399	0.9
119.08557	2.9
121.06468	4.4
121.10126	2.7
122.03661	2.9
123.04411	2.0
123.08045	1.1
127.03917	3.7
131.04945	1.1
131.08577	1.3
133.06511	7.9
137.05974	100.0
138.06308	2.2
139.03821	1.0
145.04967	2.6
145.06494	2.3
147.04420	2.4
147.08044	6.6
147.11702	1.1
149.09625	1.4
151.07553	1.5
151.11174	1.1
152.07050	1.1
159.07954	0.9
161.05946	1.2
163.03900	1.0
163.07584	1.4
165.09068	1.2
167.07002	5.0
167.10681	1.0
168.07378	0.9
177.05516	1.3
177.09094	2.4
180.08690	1.6
187.11153	6.4
189.12730	16.7
192.07776	1.1
211.07138	1.0
211.13213	1.5
219.13795	5.0
281.15271	1.5
283.15436	1.0
285.07474	2.2
313.17960	46.5
314.18256	1.6
371.08868	1.3
461.08716	1.5
511.12280	6.7
511.18997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01867	1.9
55.05500	2.1
57.03434	3.9
57.07057	1.1
58.64032	0.7
59.04976	1.1
61.02922	8.0
67.05499	3.5
69.03423	16.8
69.06680	1.6
69.07063	28.0
70.96435	1.7
71.04984	2.6
73.02927	3.5
79.05482	2.2
81.03411	8.4
81.07046	10.4
83.04989	2.3
83.08640	0.7
85.02901	100.0
87.04469	2.5
91.03954	5.0
91.05457	1.8
92.63964	0.7
93.07034	2.4
95.04971	1.5
95.08618	2.7
97.02884	27.5
97.10161	0.7
97.54874	0.7
99.04465	4.1
103.03955	0.9
105.07027	1.2
107.08619	1.5
109.02859	8.4
109.06501	1.6
109.10136	4.9
111.09150	0.7
113.05964	1.1
115.03931	1.4
121.10126	1.5
123.11697	35.7
126.05564	1.0
127.03905	26.0
133.10095	1.4
137.05992	1.8
144.06596	1.5
145.04950	44.0
151.07614	1.8
151.11171	40.5
162.07660	0.9
163.06007	16.9
165.09125	1.8
167.07092	0.9
169.12260	2.7
177.05479	1.4
190.05115	0.7
306.08405	0.8
313.16492	3.2
319.06064	0.7
325.11459	1.0
333.05753	0.9
348.07874	1.4
510.27841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11080	1.4
53.03939	3.0
55.01855	4.2
55.05510	7.9
57.03416	4.3
59.04991	12.1
60.04508	4.2
61.02927	8.0
67.05484	6.6
69.03421	17.8
69.07063	4.5
70.06583	5.7
71.04987	17.0
71.50899	3.1
73.02900	2.1
74.74825	1.6
79.05488	10.0
81.03418	12.0
81.06597	2.2
81.07051	30.7
82.06573	1.9
83.04962	2.1
83.08607	3.1
85.02902	70.4
86.06059	1.9
86.09655	2.4
87.40450	1.5
91.03935	5.5
91.05484	7.4
93.07038	22.1
95.04947	6.2
95.08590	5.5
97.02888	24.2
97.06527	3.1
98.09668	6.0
99.04456	4.4
100.11256	13.6
105.07037	8.8
106.02912	1.9
107.04936	1.9
107.08588	17.2
109.02869	7.0
109.06510	12.0
109.10153	22.8
111.08083	9.4
119.04951	2.4
119.08570	2.6
121.10139	10.1
122.06014	1.7
123.04442	3.2
123.11691	37.4
124.03930	4.3
125.05967	1.4
126.09111	1.5
127.03915	22.1
133.10120	15.7
136.76114	1.6
137.05954	6.3
139.11136	1.7
140.10689	3.7
145.04953	29.7
147.04387	4.0
149.09599	3.9
151.03976	1.9
151.11172	100.0
153.01807	6.8
153.12721	2.4
153.38774	1.7
163.03865	2.6
163.06013	10.1
163.07355	2.7
164.06998	2.6
169.12227	31.2
175.03851	3.5
177.05533	2.8
182.15392	3.6
193.12161	1.7
207.06551	3.8
210.14891	4.0
226.14244	1.9
232.99194	1.6
268.08185	2.4
295.15430	3.4
303.04993	8.2
311.14810	2.8
313.16354	5.2
325.11221	3.8
330.26382	2.9
331.07382	1.7
331.17468	9.6
333.69962	1.6
348.10593	4.2
348.27393	2.3
354.52200	1.7
451.32861	1.9
453.34290	1.7
492.35233	5.4
510.36502	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	509.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.0
55.05513	20.3
57.03433	2.8
57.07074	52.7
63.14501	2.1
65.03931	2.9
67.05137	3.6
67.05501	70.8
69.03427	5.3
69.07065	24.6
71.04974	8.0
71.08625	34.9
71.44498	3.0
71.44834	2.7
79.05489	19.6
79.09923	2.4
81.03426	4.1
81.07052	75.0
82.07392	2.5
83.04980	9.6
83.08614	13.9
85.02907	2.7
85.06516	8.1
85.10172	20.9
86.09731	2.6
89.06047	3.0
91.04920	3.2
91.05473	40.9
93.07057	20.1
95.04951	5.6
95.08605	40.1
97.06457	4.2
97.10152	7.1
99.04456	3.2
99.08125	2.6
105.07027	49.3
107.08595	40.6
109.06530	7.2
109.10151	97.5
113.05972	3.4
115.07581	3.9
117.07036	2.5
119.08559	2.3
121.10194	3.0
123.11687	16.6
127.07567	5.7
128.06192	2.2
131.08563	4.9
133.10120	94.8
145.10187	2.2
147.11629	2.7
151.11179	57.1
165.67656	2.1
169.12184	15.3
183.11713	2.6
185.13297	2.1
196.34290	2.3
215.12825	6.1
239.23769	6.1
253.14328	62.3
253.16876	4.0
257.19321	2.2
435.32660	2.4
505.38919	2.7
509.38321	100.0
510.38980	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	510.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01860	3.9
55.05506	3.7
57.03440	5.5
57.07071	1.8
59.05000	11.3
61.02927	8.0
66.10854	0.9
67.05493	5.4
69.03427	18.9
69.07066	2.4
70.77139	1.1
71.04990	21.2
71.07532	2.1
72.48528	1.0
73.02901	2.9
79.05495	8.7
81.03404	6.8
81.07052	30.1
83.04962	1.4
85.02902	81.9
86.03175	1.2
87.04462	2.3
91.03938	4.3
91.05466	6.1
91.14915	1.1
93.07034	15.5
95.04959	4.3
95.08611	3.7
97.02892	23.4
97.06557	1.5
99.04446	2.9
102.04830	1.0
105.07030	6.0
107.08588	15.1
109.02882	7.7
109.06513	9.6
109.10151	25.3
111.04394	1.0
111.06789	1.1
111.08073	10.0
115.04004	1.0
121.10150	2.5
123.08052	2.2
123.11702	34.2
127.03912	18.8
131.08708	1.0
133.10121	17.0
137.06009	1.4
145.04950	28.0
145.06021	1.1
147.08221	1.1
151.11176	100.0
153.12686	2.0
163.06026	13.4
165.51387	1.3
169.12236	31.4
177.05479	2.1
191.03407	1.4
207.06491	1.2
207.09833	1.4
224.42790	1.0
235.03755	1.0
267.05490	1.0
280.77261	0.9
295.15424	4.7
313.16397	6.4
319.05890	1.8
325.11313	6.1
331.17545	11.0
337.07242	1.2
348.05716	1.3
511.11993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2748
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.02366	1.3
53.00301	7.6
53.03938	5.0
55.01870	9.1
55.05505	33.9
57.03438	8.5
57.07069	1.9
59.04993	4.6
65.03925	4.2
67.05138	2.1
67.05499	43.2
69.03418	10.5
69.07070	11.3
71.01349	3.8
71.04993	9.8
73.02897	3.3
79.05489	40.8
81.03411	67.7
81.07051	57.9
81.07536	2.6
83.04977	18.3
83.08612	33.4
85.02902	33.3
85.06538	2.9
87.04494	2.5
91.05476	58.4
93.07038	39.5
95.04966	33.1
95.08599	17.9
97.02886	9.8
97.06536	9.2
97.10174	8.6
99.00809	19.2
99.04460	2.8
99.08081	3.0
103.05453	3.5
105.04582	1.5
105.07025	46.5
107.04951	15.0
107.08571	21.3
109.02853	13.8
109.06494	9.0
109.10166	14.8
111.04457	5.6
111.08074	17.6
113.06006	2.6
115.03952	4.3
115.05468	2.7
117.07011	6.3
119.04934	2.4
119.08569	33.6
121.06498	14.9
121.10132	15.8
123.04420	2.5
123.08086	3.9
123.11718	7.3
125.09650	3.7
127.03925	4.1
127.07587	1.4
128.06233	3.4
129.07001	9.8
131.08551	14.1
133.06525	6.7
133.10121	53.3
133.11102	2.9
135.08063	3.0
135.11731	5.7
137.06001	4.6
137.09610	5.1
139.07547	4.7
139.11172	1.2
142.07771	2.5
143.08589	5.7
145.06473	2.7
145.10167	4.1
147.04472	1.9
147.08078	4.0
147.11679	14.3
149.09596	9.5
151.11176	14.7
157.10106	12.9
159.11696	2.3
161.09615	27.2
163.11211	5.7
165.09120	3.4
165.12775	2.5
165.16365	1.5
171.08009	7.0
173.13329	1.5
175.11176	16.6
177.05574	1.7
179.10664	15.4
189.09094	14.1
189.10928	2.1
191.10509	1.5
191.14380	1.7
193.12230	71.4
197.09953	1.2
197.11610	6.5
207.10211	5.2
209.11761	1.5
211.13277	81.6
219.13882	2.3
225.11176	21.2
225.13124	1.8
227.12738	3.2
243.12239	3.5
267.16010	5.1
281.13889	5.6
285.17242	1.5
299.14914	4.2
301.04938	3.1
347.05426	10.9
348.05975	1.9
491.26651	4.3
509.27579	100.0
510.27966	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	509.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.4
53.39587	5.6
55.05515	11.5
57.03419	5.9
59.04980	5.3
59.95709	4.8
67.05489	20.1
69.03429	30.8
69.07056	18.6
69.39631	12.4
69.40044	43.0
71.04992	7.2
79.05491	32.9
80.51694	5.2
81.03410	22.3
81.07063	44.5
83.04974	13.3
85.02900	25.7
85.06536	10.8
88.57551	5.5
91.05467	38.6
93.07040	51.6
95.04949	18.0
95.08600	25.6
97.02880	24.9
97.06535	32.5
98.21500	9.8
99.04449	21.8
103.05473	6.2
105.07036	47.9
105.13634	6.0
107.04949	12.6
107.08576	32.6
109.02854	27.8
109.06503	28.5
109.10139	10.8
111.04436	5.8
111.08063	15.8
113.02367	5.6
115.05364	5.7
117.03368	7.2
117.07062	5.9
119.04939	16.5
119.08559	25.6
121.02873	6.8
121.06514	51.1
121.10154	36.1
123.04501	9.5
123.08089	10.5
123.11686	11.8
125.05991	19.8
125.09662	6.3
127.03912	40.7
127.07581	9.5
131.08589	6.7
133.02861	7.8
133.06477	11.9
133.10088	10.9
135.04402	8.2
135.08017	14.1
137.05995	38.2
139.07526	12.8
143.07034	15.9
145.02831	9.6
145.10056	9.3
146.49074	5.5
147.04387	21.1
147.07991	9.0
147.11684	55.6
149.05957	7.6
149.09607	7.3
149.13254	6.2
151.03935	8.8
151.07550	37.4
151.11234	6.4
157.08649	10.9
157.10117	19.3
159.07999	6.3
161.06000	13.3
161.09612	7.9
161.13278	11.2
163.03900	23.6
165.09114	9.5
165.12770	18.9
167.03435	13.0
167.07039	22.7
167.10602	8.8
171.11710	18.2
175.03922	8.6
175.07637	11.0
175.11182	26.1
177.05489	12.9
181.04942	10.3
181.08614	10.3
187.05940	7.9
188.03835	12.5
189.09155	9.5
189.12714	20.3
193.12230	25.8
195.10414	5.5
199.11165	14.5
207.06470	12.0
207.13820	17.6
211.13300	21.4
217.12227	66.2
222.68564	5.7
235.13289	100.0
253.14381	79.5
259.06064	9.3
271.15439	15.7
285.11346	8.6
287.05557	11.5
310.79352	5.7
315.05402	10.0
333.06003	67.5
335.05353	7.8
347.07956	12.0
352.33234	6.7
397.18427	12.4
509.10187	13.1
509.23090	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	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79507	1.0
55.01866	1.7
67.05492	3.6
68.57628	1.0
69.03429	1.7
69.07056	1.6
69.86600	6.9
71.61838	1.1
79.05481	5.5
81.07048	4.5
85.02889	1.5
91.05477	17.2
91.78487	1.0
93.07038	4.9
94.04182	3.2
95.04965	3.0
95.08595	2.3
103.05462	4.7
105.07021	8.1
107.04942	9.0
107.08602	2.7
108.05699	1.2
109.06519	3.7
110.74123	1.1
114.51297	1.2
115.05440	5.7
117.07004	3.5
118.04142	1.4
119.04926	11.3
119.08566	2.7
121.06550	6.7
121.10136	3.7
122.03648	9.7
123.04448	2.0
123.08064	4.9
123.11688	1.8
125.05946	1.6
128.06209	4.4
129.07002	10.9
131.04901	6.5
131.08554	4.0
133.06459	3.2
135.04454	2.0
135.08064	4.4
136.05176	2.1
137.05975	100.0
138.06320	1.8
138.83836	1.1
143.04878	4.7
144.05751	2.7
145.02798	1.4
145.06474	5.1
146.03584	2.4
146.07266	3.9
147.04388	3.9
147.08051	2.6
148.05154	2.8
149.05960	3.9
149.09523	1.5
151.03978	2.1
151.07538	41.8
155.08516	1.3
157.06467	5.3
159.08031	1.9
160.05196	3.2
161.05974	87.6
161.09615	19.2
162.06816	1.4
163.07558	9.5
165.06938	2.3
165.09119	4.3
167.07060	5.8
167.10695	3.2
174.06723	5.8
175.03929	2.9
175.07555	25.7
177.05492	2.0
177.09085	7.5
179.06992	1.8
179.08452	2.6
181.06464	2.1
182.07242	1.8
187.07501	2.5
189.09100	48.9
190.07890	1.4
191.06990	1.8
191.08640	1.9
191.10600	1.9
193.06540	1.2
195.08315	2.3
195.10178	23.4
203.08551	1.5
205.06473	3.6
205.08492	2.6
207.06573	3.4
207.10146	61.3
209.06100	2.2
209.09671	1.5
211.07593	1.3
213.08994	2.0
219.08009	3.7
221.05980	3.9
221.09705	2.0
222.06842	1.6
223.07532	3.8
223.11082	1.2
225.09065	3.1
227.06966	1.5
233.06015	2.2
233.09677	1.6
234.06718	3.5
235.07465	2.8
236.08353	1.5
237.05646	1.3
237.09094	8.1
239.10550	2.3
241.08412	1.5
245.09636	1.6
247.07558	2.2
248.08339	2.1
249.09152	7.7
250.06314	1.9
251.06932	2.9
251.10780	2.1
252.07658	1.6
253.08601	6.0
255.06488	2.1
255.10059	1.5
262.06223	2.4
263.07111	1.8
263.10666	2.6
264.07883	2.0
265.08606	11.5
266.09402	2.8
267.10129	5.2
269.08029	2.3
270.08893	3.0
277.08560	8.6
277.11761	1.7
278.09177	1.9
279.10144	3.9
280.10947	1.5
281.08057	3.0
283.09717	7.2
285.11221	10.3
291.10297	2.6
293.11572	1.6
295.09625	3.1
296.10370	1.9
296.13580	1.2
297.11237	21.4
299.12790	3.4
305.11618	3.0
308.10260	3.3
309.11188	5.2
311.12744	16.6
317.13788	4.5
323.12848	6.3
337.14346	14.9
341.13724	2.4
343.15244	3.8
349.14511	2.1
355.15359	13.3
367.15283	7.9
371.12445	1.4
435.17725	1.8
461.19299	2.4
465.19168	1.7
476.08743	1.4
479.20541	5.4
491.21039	2.0
503.64563	1.4
509.21939	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	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89614	1.1
53.03938	1.2
55.01875	1.7
55.05491	2.7
57.03429	1.4
67.05499	2.6
69.03416	1.8
69.07063	1.5
69.41716	10.7
70.06580	1.1
73.03341	1.2
76.54654	1.2
79.05482	3.7
81.03397	1.4
81.07040	5.4
83.04952	2.1
85.02884	2.8
85.06527	1.2
91.05482	16.2
93.07063	6.0
94.04189	2.9
95.04967	3.4
95.08598	3.0
97.02885	1.6
98.21492	1.8
103.05452	4.3
105.07037	8.6
107.04972	6.8
107.08571	2.7
109.06499	2.3
109.10136	1.6
115.05469	3.6
117.03354	1.6
117.06993	3.2
117.22810	1.2
119.04936	8.8
119.08592	2.2
121.06487	5.6
121.10143	3.9
122.03644	7.6
123.04500	1.2
123.08035	4.8
123.11710	1.6
127.03916	1.5
128.06194	2.7
129.07027	7.6
131.04907	4.4
131.08562	4.3
132.68536	1.2
133.02823	1.3
133.06453	2.3
135.04390	1.9
135.08066	3.2
135.11673	1.5
137.05977	88.8
138.06250	1.2
143.04939	3.4
144.05759	1.3
145.06458	4.5
145.10168	1.7
146.03682	1.5
146.07297	3.9
147.04382	4.0
147.08034	2.9
148.05202	2.2
149.05963	4.8
149.09622	2.3
151.03905	3.2
151.07541	42.0
151.13229	1.4
151.86696	1.3
153.12639	1.4
157.06476	6.0
157.10065	1.2
159.08054	2.4
160.05281	1.4
161.05981	100.0
161.09601	23.8
162.06383	1.7
163.07497	8.7
165.05693	1.4
165.06979	2.7
165.09105	4.4
167.07089	2.9
174.06741	5.1
175.03870	1.7
175.07538	21.9
177.05464	3.1
177.07018	1.3
177.09084	5.4
179.07004	2.4
179.08514	2.3
179.10684	1.6
181.06442	2.1
182.07323	1.2
187.07515	1.4
189.09108	59.8
190.07802	1.6
190.09474	1.8
191.07108	2.7
191.08617	1.8
191.10710	1.9
193.06628	1.3
194.07234	1.5
195.08272	2.2
195.10159	20.8
196.16930	1.8
197.17310	3.7
199.07574	1.7
201.08969	1.5
205.06471	3.0
206.07384	1.4
207.06435	2.7
207.10165	70.5
209.09744	1.6
210.06731	1.6
211.07460	1.8
217.06477	1.8
219.07991	2.7
219.10101	1.9
221.05997	3.5
222.06770	1.9
223.07495	3.1
224.08241	1.5
227.07008	1.6
227.10692	1.4
234.06625	2.3
235.07568	2.9
236.08398	1.4
237.09079	4.8
239.07005	1.4
239.10706	1.7
240.07973	1.3
245.06113	1.7
247.07544	2.0
249.09082	5.9
250.06311	1.5
251.10645	2.5
253.08586	6.1
255.06548	1.7
261.09274	1.8
263.06946	1.6
265.08673	10.7
267.10098	3.7
268.07278	1.7
269.08020	2.3
270.08905	2.1
277.08627	5.2
277.11896	2.3
279.10104	4.1
281.08127	2.7
283.09717	3.8
285.11261	10.8
287.12698	1.7
291.10269	2.1
295.09717	2.5
297.08368	1.2
297.11319	13.9
299.12955	3.6
305.11707	3.9
309.11249	5.2
310.12061	1.7
311.12787	16.3
317.14053	2.9
323.12955	5.6
327.12216	1.5
337.14331	14.0
341.13940	1.5
343.15710	3.0
349.14261	3.0
355.15460	12.4
367.15402	4.7
447.17719	1.7
461.19733	2.2
479.20493	5.7
491.09744	2.9
509.21201	5.5
509.27774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01865	0.3
57.03429	0.2
60.50758	0.2
61.02916	0.4
61.75480	0.2
67.05496	0.4
69.03409	0.6
69.07070	0.3
70.85196	0.3
70.85518	0.2
77.03902	0.2
77.39351	0.2
79.05479	0.8
81.03404	0.6
81.07048	0.6
85.02906	2.9
85.06535	0.5
91.05477	0.5
93.07027	0.3
93.95656	0.2
95.04965	1.0
95.08615	0.3
97.02877	0.6
99.04456	0.2
99.08095	0.7
103.05460	0.8
105.07048	0.4
107.04951	100.0
108.05260	0.5
109.02940	0.3
110.10543	0.2
111.53773	0.2
117.07010	0.3
119.08591	0.4
121.06510	1.3
121.17147	0.2
127.03895	0.2
131.03951	0.2
131.04918	3.1
131.08582	0.2
133.06511	0.6
137.05975	4.9
145.04945	0.6
145.06505	0.8
147.08075	0.3
151.07561	0.4
157.06470	0.2
159.08058	0.3
159.11757	0.2
163.07568	1.7
177.09070	1.7
187.11171	1.6
191.10632	1.3
205.12149	1.2
209.11729	0.7
217.12146	0.3
221.11748	0.3
223.13402	0.3
235.13280	3.6
311.16406	1.9
329.17484	3.9
350.57587	0.2
388.46704	0.2
392.43942	0.2
453.04077	0.2
508.29456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0927
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
53.03925	0.2
55.01860	0.4
57.03444	0.9
65.03915	0.3
67.05492	0.3
69.03414	0.6
69.07063	0.2
69.87213	0.4
69.87617	0.9
71.01347	1.7
73.02916	3.0
75.04465	0.4
79.05502	0.3
81.03402	0.4
81.07042	0.4
83.04967	0.2
85.02902	7.8
91.05465	0.4
93.07044	0.3
95.01327	1.0
95.04969	0.9
95.08607	0.4
97.02875	0.8
98.21417	0.3
99.00761	0.4
101.02387	0.3
103.03947	0.4
105.07045	0.4
107.04965	0.2
109.02872	0.6
109.10177	0.2
111.04426	0.2
113.02371	3.1
121.02850	0.2
121.10132	0.7
123.04421	0.7
123.11741	0.2
125.02357	1.8
127.03886	0.3
131.03392	2.5
133.02904	0.3
137.02348	0.5
137.05991	0.3
139.03877	0.9
141.01811	1.7
141.05481	0.6
147.08040	0.2
151.03902	1.3
151.65852	0.2
153.01839	2.7
159.02875	1.3
161.05968	0.4
163.03836	0.3
165.01816	0.8
167.03398	6.6
167.07079	0.4
167.10681	0.4
175.07643	0.3
177.05450	0.5
179.03375	3.1
180.04216	0.5
181.04948	0.5
185.41272	0.2
197.04424	1.0
199.03911	0.3
203.07060	0.7
207.02879	0.3
207.06744	0.2
209.04459	0.8
213.05449	0.3
216.04192	0.7
217.05019	0.3
231.06514	2.6
233.04445	0.2
233.08073	0.4
235.02289	0.3
244.03764	0.3
248.70366	0.2
249.07625	0.3
258.05246	0.3
259.06021	4.3
269.04630	0.2
272.03152	0.3
273.03851	0.2
277.07031	0.6
287.05472	3.4
289.03387	0.4
290.04135	1.0
304.05750	1.2
315.04883	1.0
318.03702	0.9
332.05161	0.4
333.06027	100.0
334.06329	1.9
345.06110	0.3
375.07043	0.2
385.26578	0.2
491.08041	0.5
491.19107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35521	0.5
53.03939	1.7
55.01868	0.9
57.03421	1.3
61.02931	3.7
62.52780	0.5
64.94469	0.5
65.03908	0.6
67.05499	0.7
69.03429	6.8
69.30719	5.9
71.04972	0.9
79.05484	1.1
81.03426	2.7
81.07056	1.0
85.02907	23.6
87.04465	1.2
91.03945	1.9
91.05470	6.6
92.20176	0.7
93.07047	1.0
95.04960	1.4
97.02889	8.5
99.04449	1.0
103.05443	1.3
105.03405	0.6
105.06998	1.6
107.04951	11.5
108.05711	0.8
109.02854	1.7
109.06511	1.3
115.05460	1.0
117.07023	1.9
119.04913	0.8
119.08574	0.9
121.06506	16.0
121.07365	0.8
122.07287	11.3
123.04426	21.0
127.03943	4.3
129.07022	1.1
131.04880	3.0
131.08524	0.8
133.06468	3.8
134.07254	1.9
135.08043	1.9
137.05980	10.0
144.05655	1.1
145.04964	6.0
145.06487	2.7
146.07292	1.8
147.08041	45.6
149.05951	2.7
159.08061	4.2
160.08807	3.5
161.09615	27.1
162.07613	0.6
163.07536	7.0
171.08061	0.9
173.09666	3.2
174.10376	1.3
175.11205	4.0
177.09106	3.7
180.08614	2.2
185.09589	0.7
187.11154	5.5
189.12697	1.0
190.13524	2.2
201.12747	16.6
202.13518	6.2
203.10692	1.1
203.14297	3.7
210.06850	0.8
211.07678	0.7
223.07584	0.9
229.08582	2.6
241.08575	7.5
243.10164	2.1
251.89040	0.6
265.15909	3.2
269.11746	2.6
279.13800	1.7
293.15350	3.2
311.16406	100.0
312.16769	2.9
312.44830	0.5
427.57602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05498	1.0
57.03420	0.9
57.90403	0.6
59.22191	0.8
61.02914	1.3
61.31149	0.7
67.05496	1.4
69.03422	2.5
69.94273	2.0
69.94681	1.5
79.05517	1.4
81.03419	1.7
81.07043	2.2
85.02904	12.4
91.05479	8.9
92.06303	0.7
93.07037	1.3
95.04961	2.0
95.08604	0.8
97.02885	2.8
97.67796	0.6
99.04470	0.9
103.05438	2.2
105.03386	1.0
105.07022	1.4
106.25129	0.5
107.04951	18.2
107.08585	0.7
108.05785	0.9
109.02872	2.2
109.06502	2.4
115.05441	1.0
117.06992	1.5
119.04950	1.6
119.08574	2.0
121.06495	17.8
122.07285	12.3
123.04429	22.2
123.05358	1.1
127.03914	2.3
129.06976	1.2
131.04933	4.4
131.08574	1.6
133.06485	4.7
134.07249	1.9
135.04417	1.2
135.08051	2.9
137.05977	13.0
137.94295	0.7
144.05717	1.0
145.04941	2.0
145.06465	4.2
146.07246	1.7
147.08044	54.9
149.06006	3.1
149.09697	0.9
151.07544	0.8
157.10115	0.8
158.07326	1.0
159.08049	5.2
160.08823	3.8
161.09615	33.0
163.07536	6.7
163.11176	0.8
165.09148	1.0
171.08046	1.1
171.11716	1.1
173.09630	4.6
174.10425	1.7
175.11157	4.2
177.09158	3.8
185.09532	0.7
187.11160	6.8
189.09129	0.9
189.12712	1.7
190.13559	2.4
197.05835	0.7
201.12738	18.1
202.13481	5.7
203.14316	2.7
205.98178	0.8
211.07585	1.1
223.07492	1.4
223.13498	0.8
229.08556	2.3
241.08580	8.9
241.97047	0.9
243.10240	1.0
251.14339	1.0
251.89973	0.9
265.15973	2.4
269.11676	1.9
279.13727	2.1
283.16821	0.9
293.15475	3.7
311.16409	100.0
312.16696	2.1
329.17368	0.8
349.49521	0.6
384.36798	0.8
387.41846	0.8
437.20221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01867	1.4
55.05506	1.7
57.03423	1.8
61.02923	3.0
65.03960	1.0
67.05512	1.5
69.03439	8.3
70.55575	3.4
71.05000	1.0
79.05486	2.6
81.03413	3.8
81.07059	2.3
85.02898	27.2
91.03944	2.3
91.05476	9.4
93.07049	2.9
95.04957	2.3
95.08620	1.7
97.02892	8.7
99.04440	2.1
103.05502	1.9
105.07010	2.0
107.04947	16.8
107.08578	1.4
109.02850	3.2
109.06522	2.1
115.05502	1.2
117.07034	1.1
119.08585	2.7
121.06487	16.9
121.10094	1.1
122.07283	11.4
123.04426	19.3
127.03910	5.2
129.07045	1.6
131.04918	3.7
133.05615	1.0
133.06454	5.2
134.07265	1.6
135.08060	2.5
137.05984	13.0
145.04993	6.1
145.06470	3.9
147.08035	50.4
149.05960	3.3
149.09555	1.1
151.07561	1.5
157.10118	1.2
157.66492	1.2
158.07281	1.3
159.08093	3.8
160.08846	3.6
161.09610	29.8
161.10960	1.5
163.07536	9.1
167.07059	1.0
171.07959	1.2
173.09608	2.3
174.10442	2.2
175.11195	2.8
177.05408	1.5
177.09135	3.0
180.08670	2.9
183.07959	1.0
187.11234	5.3
189.12671	2.0
190.13528	2.5
196.67926	1.0
201.12749	16.3
202.13510	6.4
203.10750	1.7
203.14304	2.0
203.18187	1.0
205.12401	1.0
223.07613	1.1
227.07068	1.4
229.08569	2.4
240.07695	1.1
241.08549	7.8
243.10072	2.2
251.14307	2.3
265.15942	2.1
269.11765	2.8
279.13782	4.9
293.15479	1.3
303.49170	0.9
311.16382	100.0
346.20480	1.0
347.06107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01863	2.4
55.05509	1.6
57.03431	7.5
59.04972	1.0
61.02925	8.2
66.97263	0.9
67.05502	1.9
67.65140	1.1
69.03088	1.9
69.03429	19.7
70.63999	3.1
71.05007	1.9
71.85003	0.9
73.02902	4.5
75.04458	1.3
79.05486	4.8
81.03419	8.8
81.07033	3.8
83.01326	2.1
85.02902	100.0
87.04437	1.7
91.03954	4.7
91.05459	5.1
93.06492	1.9
93.07043	25.8
95.01318	4.4
95.08604	2.8
96.04507	1.8
97.02892	29.6
99.04440	4.5
105.07025	3.9
107.04937	1.4
107.08585	8.1
109.02858	10.4
111.08111	3.3
112.71461	1.1
119.08606	1.7
121.06458	1.2
121.10139	33.5
123.08067	1.3
123.78227	1.0
125.05951	1.3
127.03911	23.3
135.11684	36.4
137.05956	4.8
139.11189	6.5
141.01804	2.8
144.06554	1.2
145.04955	38.6
147.04425	1.3
147.08008	1.2
149.09598	3.1
151.07538	1.1
161.05988	2.8
161.08318	0.9
161.09604	1.3
163.06007	11.7
166.54166	1.0
167.10663	7.4
177.03969	2.7
180.08627	1.0
189.09126	1.8
197.15141	1.0
207.06555	1.1
207.10146	2.0
234.03560	1.1
249.14668	1.1
265.14340	2.4
293.13763	1.7
311.14996	5.9
508.20078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84520	0.3
58.48536	0.2
67.05489	1.0
69.03421	0.4
78.89838	0.2
79.05489	1.0
81.03417	0.5
81.07055	0.8
85.02891	0.8
91.05473	0.7
92.05818	0.3
93.07040	1.1
95.04950	0.4
95.08598	0.7
97.02914	0.3
98.20711	0.5
105.07044	0.3
107.08590	0.5
111.04453	0.3
119.08531	0.4
121.10112	0.4
125.09651	0.3
133.10075	0.4
135.11652	0.4
145.10262	0.4
146.10420	0.4
147.11617	0.3
165.09117	0.4
205.16025	0.3
221.51651	0.3
244.87569	0.3
261.89377	0.3
272.07968	0.9
282.18097	0.3
287.06989	0.4
288.07196	0.3
289.08633	0.4
290.08887	0.6
300.07648	0.8
301.08090	1.0
302.05740	1.8
303.06467	36.0
304.06906	1.1
315.06619	2.0
315.09662	0.4
316.07217	1.8
317.07803	5.5
318.08401	3.6
331.05988	31.3
332.06302	1.2
345.07498	5.4
346.08270	100.0
347.08734	3.9
407.35324	0.3
469.52560	0.3
490.28705	0.3
492.62012	0.3
497.42572	0.3
508.29456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03946	2.2
55.01861	1.5
55.05507	16.6
57.03444	1.9
57.07071	41.7
65.03928	2.5
67.05500	48.1
69.07063	22.4
70.78744	1.8
70.79055	1.2
71.04988	1.9
71.08624	28.4
77.03915	1.0
79.05487	23.2
81.03403	4.4
81.07050	66.1
82.03759	1.5
83.04981	3.2
83.08614	19.5
85.06532	2.3
85.10180	15.3
91.05473	16.0
93.07034	30.3
95.04970	3.8
95.08599	33.3
96.08956	1.2
97.06515	6.8
97.10168	8.3
99.08097	2.1
105.07024	5.0
107.08585	15.8
107.91328	0.8
109.06528	1.5
109.10145	11.9
110.96134	0.8
111.08080	3.7
111.11717	2.0
117.06995	5.9
119.08582	2.3
121.06562	0.9
121.10137	8.4
123.11695	7.5
125.13286	1.4
127.07570	1.1
131.08554	5.0
133.10120	8.2
135.08054	0.9
135.11687	8.6
137.13252	2.5
139.11145	0.9
145.10046	0.8
147.11658	1.3
149.13239	21.4
159.11674	8.4
165.16382	1.0
177.12721	4.5
179.03424	0.9
193.12120	0.8
195.13828	10.3
213.14940	1.5
221.22577	1.2
234.73087	0.9
239.23650	9.8
271.28452	0.7
507.40399	100.0
508.40927	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	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.8
51.81076	0.7
53.03938	2.8
53.45185	0.8
55.01872	1.3
55.05509	18.1
56.25687	0.9
57.03427	3.1
57.07074	46.5
65.03926	2.5
67.05502	61.3
68.05849	0.9
69.07064	20.4
70.73536	2.0
70.73866	0.9
71.04991	3.6
71.08629	29.2
72.26081	0.9
72.73120	0.8
79.05489	27.1
81.03411	3.0
81.07052	80.9
82.79469	0.9
83.04972	3.7
83.08616	25.2
85.06537	3.5
85.10179	16.5
86.37514	0.9
91.05478	18.0
93.07040	36.6
95.04972	4.6
95.08601	43.2
97.06511	5.5
97.10170	9.4
99.08088	1.2
99.11731	1.2
105.07019	7.7
107.04958	1.4
107.08589	18.3
109.06516	1.7
109.10155	23.1
111.08092	5.1
111.11676	1.3
117.07000	6.3
119.08569	3.2
121.06500	1.3
121.10133	9.8
123.11694	10.1
125.09670	1.1
131.04918	3.2
131.08560	5.3
133.10126	9.8
135.08101	1.2
135.11693	8.6
137.13274	3.4
147.11722	1.6
149.13243	19.4
149.14391	1.4
151.11214	0.9
151.14857	1.4
159.11707	7.9
167.03397	1.2
173.11745	1.3
177.12747	5.6
179.03389	15.6
181.04921	1.5
182.05379	1.2
193.05034	1.8
195.13826	10.1
197.04506	2.5
213.14897	2.0
221.22711	1.5
229.14381	2.1
239.23692	7.2
261.22244	2.0
283.09631	5.9
335.25681	1.2
374.20831	1.0
377.03027	0.9
473.26740	1.3
489.36102	2.6
507.40448	100.0
508.40625	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	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03936	2.5
55.01855	1.6
55.05511	15.1
57.03428	2.3
57.07075	42.4
59.70620	0.9
65.03947	1.2
67.05503	49.4
67.26675	0.7
69.07068	21.5
69.28780	1.6
69.29182	5.6
71.04989	2.7
71.08241	1.7
71.08630	30.3
72.56034	0.7
79.05492	23.3
81.03413	3.5
81.07053	64.6
83.04965	3.9
83.08620	19.9
85.06532	2.5
85.10180	16.6
91.05478	13.8
93.07042	34.6
95.04950	4.6
95.08606	39.0
96.08916	1.1
97.06516	5.4
97.10166	8.3
99.08099	2.7
99.11732	1.3
105.07037	4.4
107.04945	1.0
107.08596	18.9
109.06509	1.4
109.10158	13.6
111.08092	4.2
111.11726	2.0
117.07027	5.1
119.08604	2.1
121.06506	1.9
121.10147	10.1
123.11700	8.9
125.13264	1.4
131.08577	4.5
133.10127	9.0
135.11682	6.9
137.13268	2.3
147.11784	1.0
149.13255	19.0
149.14394	1.4
151.11163	0.9
151.14825	1.2
159.11703	9.2
165.16376	1.0
167.14294	1.1
177.12732	4.5
195.13815	15.7
213.14848	1.8
221.22591	1.4
239.23665	9.4
286.70425	0.8
321.03104	0.7
507.40436	100.0
508.41083	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	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87501	3.7
52.77472	3.0
55.05498	10.5
57.07072	29.6
58.07653	3.1
59.32259	3.2
63.87469	3.2
65.32005	3.2
67.05508	37.7
69.07048	9.4
71.08640	23.5
71.23608	3.7
71.23944	5.0
79.05476	11.9
81.03456	5.4
81.07052	46.4
83.08604	13.5
85.10164	8.5
91.05467	10.6
93.07034	18.3
95.08611	26.4
97.06536	4.5
97.10183	5.7
107.08598	12.5
109.10136	10.2
121.10114	10.2
123.11716	4.7
133.10103	4.6
135.11604	5.1
149.13257	19.5
159.11719	4.8
190.42468	3.5
195.13950	7.4
239.23697	7.4
273.62463	4.1
374.86880	4.0
487.80002	4.3
507.28848	14.2
507.40427	100.0
508.29535	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	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.94506	0.6
55.01861	0.6
55.05493	2.2
57.07076	0.8
65.03933	0.9
67.05506	6.7
69.03406	2.4
69.07047	3.2
71.51165	0.8
71.51579	0.7
73.02897	1.1
79.05482	2.8
81.03389	2.4
81.07054	7.3
83.04949	1.8
83.08590	0.8
85.02872	2.9
85.06527	1.4
89.03906	0.8
91.05498	3.6
93.07029	5.3
95.04973	1.7
95.08601	5.8
97.02866	0.9
97.06528	1.0
103.05434	1.2
105.07023	3.2
107.04916	2.0
107.08583	2.1
109.02834	0.9
109.06537	1.6
109.10155	9.1
116.53536	0.7
117.03368	2.5
117.07009	1.2
119.04937	1.3
119.08587	4.7
121.02852	0.8
121.06502	1.5
121.10148	3.0
122.07252	2.1
123.04422	0.9
123.08036	2.0
123.11675	3.3
124.12013	0.9
127.03928	0.9
131.04956	0.8
131.08536	1.0
133.06456	0.9
133.10106	2.2
133.89232	0.6
135.08002	1.2
135.11716	0.9
137.05968	3.2
137.09608	15.0
139.11121	0.9
143.08588	1.2
145.02835	7.0
145.10097	2.0
145.62317	0.7
147.04355	1.5
147.08058	1.1
147.11710	2.0
149.05975	2.1
149.09607	2.3
149.13268	0.9
151.03938	0.8
151.07526	1.6
151.11177	1.8
155.10640	1.1
157.08662	0.9
157.10023	0.8
159.11710	1.6
161.09608	1.0
161.13177	1.1
163.03880	0.9
163.07515	1.0
163.11018	0.7
165.09103	100.0
166.09468	2.6
167.03355	2.3
167.07076	1.3
175.03905	1.7
175.11229	0.8
177.05449	16.3
177.09146	1.2
178.05875	0.9
179.03375	1.4
179.06998	0.9
179.10645	0.8
197.06061	0.9
199.16711	0.7
205.12199	3.9
207.06554	2.6
291.23203	0.8
316.05716	1.6
317.06467	4.7
331.08139	10.6
332.08603	1.1
337.23660	1.0
339.10666	0.9
489.08514	1.0
507.33264	3.8
508.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.94506	0.6
55.01861	0.6
55.05493	2.2
57.07076	0.8
65.03933	0.9
67.05506	6.7
69.03406	2.4
69.07047	3.2
71.51165	0.8
71.51579	0.7
73.02897	1.1
79.05482	2.8
81.03389	2.4
81.07054	7.3
83.04949	1.8
83.08590	0.8
85.02872	2.9
85.06527	1.4
89.03906	0.8
91.05498	3.6
93.07029	5.3
95.04973	1.7
95.08601	5.8
97.02866	0.9
97.06528	1.0
103.05434	1.2
105.07023	3.2
107.04916	2.0
107.08583	2.1
109.02834	0.9
109.06537	1.6
109.10155	9.1
116.53536	0.7
117.03368	2.5
117.07009	1.2
119.04937	1.3
119.08587	4.7
121.02852	0.8
121.06502	1.5
121.10148	3.0
122.07252	2.1
123.04422	0.9
123.08036	2.0
123.11675	3.3
124.12013	0.9
127.03928	0.9
131.04956	0.8
131.08536	1.0
133.06456	0.9
133.10106	2.2
133.89232	0.6
135.08002	1.2
135.11716	0.9
137.05968	3.2
137.09608	15.0
139.11121	0.9
143.08588	1.2
145.02835	7.0
145.10097	2.0
145.62317	0.7
147.04355	1.5
147.08058	1.1
147.11710	2.0
149.05975	2.1
149.09607	2.3
149.13268	0.9
151.03938	0.8
151.07526	1.6
151.11177	1.8
155.10640	1.1
157.08662	0.9
157.10023	0.8
159.11710	1.6
161.09608	1.0
161.13177	1.1
163.03880	0.9
163.07515	1.0
163.11018	0.7
165.09103	100.0
166.09468	2.6
167.03355	2.3
167.07076	1.3
175.03905	1.7
175.11229	0.8
177.05449	16.3
177.09146	1.2
178.05875	0.9
179.03375	1.4
179.06998	0.9
179.10645	0.8
197.06061	0.9
199.16711	0.7
205.12199	3.9
207.06554	2.6
291.23203	0.8
316.05716	1.6
317.06467	4.7
331.08139	10.6
332.08603	1.1
337.23660	1.0
339.10666	0.9
489.08514	1.0
507.33264	3.8
508.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
54.16903	2.3
55.01869	26.9
55.05508	37.5
56.93883	2.3
57.03432	11.4
57.07079	11.4
65.03931	4.8
66.54767	2.6
67.05504	97.3
69.03417	7.2
69.07070	21.9
69.29356	8.4
69.29778	15.4
70.15039	2.5
71.04978	6.8
71.08627	2.5
73.02896	3.8
79.05493	100.0
81.03408	26.0
81.07053	65.3
82.04203	11.5
83.04973	24.7
83.08615	18.0
85.02896	4.5
85.06525	4.5
89.26861	2.5
91.05481	73.7
93.07042	84.7
95.04974	33.9
95.08607	45.9
96.05744	2.8
97.02891	4.7
97.06525	14.3
97.10152	8.8
98.07291	8.4
98.21482	3.8
99.08049	2.2
103.05453	3.8
105.04524	2.7
105.07027	54.4
107.04948	19.0
107.08590	31.2
109.06539	12.1
109.10169	24.7
111.04453	9.5
111.08080	10.0
115.05422	3.9
117.07018	17.0
119.08571	36.5
121.06492	12.2
121.10139	14.4
123.08035	12.6
123.11687	3.3
125.06015	2.8
125.09607	11.7
127.11197	2.7
128.06215	3.6
129.07016	21.4
131.04904	2.6
131.08569	9.8
133.06516	5.4
133.10117	22.5
135.08040	8.2
135.11679	14.4
137.09633	4.1
139.15663	2.4
142.07767	2.4
143.08553	8.9
145.10106	16.5
147.08034	5.4
147.11685	42.9
149.09581	4.6
149.13303	3.9
153.12747	3.1
157.10167	5.6
159.11665	3.9
161.09645	5.7
161.13284	12.4
163.11194	15.0
167.03389	5.1
171.06487	5.4
171.11685	31.1
173.09619	2.7
173.11780	2.5
173.13216	2.9
175.11102	3.3
177.12671	3.0
179.03458	10.3
181.12222	7.1
185.08078	2.4
189.12773	11.7
189.16380	4.6
191.10701	5.3
193.12144	3.9
199.13237	2.6
201.16139	3.2
206.12834	2.7
207.13792	28.7
209.11734	3.6
225.14871	6.1
227.12698	12.1
255.15981	3.7
271.09494	4.2
281.17432	12.4
283.09637	2.4
283.15436	18.1
335.18396	5.5
348.42621	3.0
375.28870	8.3
406.27014	3.5
435.27307	10.4
489.28342	9.4
490.29248	2.9
507.10342	5.2
507.29459	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01832	0.7
55.05491	1.8
57.03400	0.6
57.07064	4.3
59.97253	0.4
62.39806	0.5
65.03918	0.8
67.05191	0.6
67.05499	8.4
69.07056	2.8
71.01311	0.5
71.08640	2.7
71.13335	1.1
79.01831	0.7
79.05489	4.4
81.03397	1.0
81.07054	11.1
83.04964	0.9
83.08610	3.3
85.06548	0.6
85.10161	1.9
85.94380	0.5
91.05468	5.4
93.07034	6.5
95.04939	2.0
95.08601	6.1
97.06506	0.6
97.10154	1.1
103.05453	1.7
105.07032	2.4
107.08587	5.1
109.10141	5.1
111.04444	0.8
113.02375	0.6
117.06995	1.5
119.08548	1.6
121.02891	0.7
121.10122	2.5
123.04530	0.5
123.11697	1.4
131.03381	0.8
131.04933	4.7
131.08531	1.6
133.10138	1.3
135.08038	0.6
135.11679	1.2
145.10136	1.2
147.11697	0.8
149.13254	2.3
151.00931	0.5
151.03876	2.2
159.11688	1.3
163.14816	0.6
167.03412	1.3
179.03381	100.0
180.03717	1.0
181.04941	2.0
193.04933	1.7
194.05260	0.6
195.13770	1.0
197.04442	24.9
201.16359	1.0
205.04996	0.9
211.21014	0.6
222.94147	0.5
231.06631	0.5
241.08569	0.7
271.09634	0.6
283.09637	26.3
284.09985	0.8
298.11404	0.5
311.09045	1.1
339.12387	0.6
351.11844	0.6
403.21286	0.7
463.16428	0.6
471.25311	1.5
489.26334	3.6
507.27463	36.9
507.39999	10.0
508.27689	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	507.1498
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
67.05468	0.5
68.99741	0.3
69.03391	0.2
69.07040	0.4
70.03722	1.2
71.56264	0.2
79.05440	0.4
81.06998	0.9
83.04929	0.3
83.08546	0.3
83.19777	0.2
85.02855	0.3
85.06458	0.3
91.05429	0.6
93.06976	0.9
95.08615	1.1
105.06965	0.7
107.08521	0.7
109.10108	0.6
111.00712	0.3
112.22702	0.2
117.06963	0.4
117.11247	0.2
119.08528	0.9
121.06510	0.3
121.10107	0.5
125.36855	0.3
131.04829	0.2
133.10101	0.4
135.04419	3.2
135.08032	0.3
137.05873	0.3
137.74530	0.2
139.00259	0.4
139.84235	0.2
143.08601	0.2
145.10074	0.6
147.07951	0.3
147.11658	0.4
149.05878	0.3
159.11656	0.5
161.05968	2.9
167.06993	0.4
175.14755	0.5
185.05844	0.2
187.07484	0.8
187.14789	0.5
189.05399	0.8
203.07068	0.3
203.18013	0.3
205.15932	1.2
213.05399	0.7
217.05008	1.3
231.06525	2.7
241.04965	0.3
245.04376	0.9
259.05975	0.4
287.05478	16.6
288.05774	0.5
300.02609	0.3
315.04950	69.0
316.05264	1.9
330.07300	20.9
331.07593	0.5
345.09656	100.0
346.10013	2.9
347.51337	0.3
365.47244	0.3
366.04721	0.3
417.29343	0.2
507.10233	0.3
507.22272	0.2
507.30008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1134
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
55.01883	0.2
55.05496	0.4
57.03423	0.7
61.48249	0.2
66.33212	0.2
67.01866	0.2
69.03415	0.6
70.41515	0.7
71.01355	2.0
73.02916	3.1
81.07060	0.5
83.01345	0.2
85.02901	7.2
85.12188	0.2
85.73720	0.2
87.96145	0.3
91.05470	0.3
92.02618	0.9
93.03407	0.5
93.07047	0.4
95.01318	1.5
95.04964	0.4
95.08595	0.5
97.02888	0.6
99.00812	0.6
101.02370	0.5
103.03939	0.6
105.06983	0.2
107.08594	0.4
109.10164	0.3
113.02352	3.1
119.08628	0.3
121.02863	1.1
121.10179	0.4
122.56207	0.2
123.04415	0.3
131.03400	2.0
133.10118	0.2
137.02380	0.3
137.05963	0.7
140.04704	1.0
141.01817	1.2
149.09596	0.4
151.03899	0.9
153.05443	0.6
159.02910	1.2
167.03395	9.3
173.48114	0.2
177.05464	0.4
179.03365	0.3
180.49141	0.2
215.06970	0.4
217.04970	0.8
231.06512	1.3
232.07269	1.0
242.05696	1.6
243.06531	2.8
243.82965	0.2
245.04424	0.9
256.03580	0.3
259.06033	1.6
260.06790	1.5
271.06042	2.0
273.03845	0.6
274.04669	0.3
275.09116	0.3
285.07404	0.3
287.05493	2.3
288.06271	4.0
298.04590	0.2
299.05396	3.2
313.07248	0.2
315.05106	0.2
316.05768	12.6
331.08109	100.0
332.08502	1.9
345.09866	0.3
453.37650	0.2
489.09113	0.4
492.91000	0.2
507.32880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03931	1.0
55.01856	1.1
57.03439	1.6
59.51674	0.4
61.02915	2.3
69.03418	4.0
70.67415	1.0
71.04979	0.9
73.02910	0.7
77.03894	0.4
79.05473	0.8
81.03414	2.2
81.07031	0.8
83.01313	0.4
84.25578	0.3
85.02899	17.2
85.06533	2.7
87.04457	0.6
91.03929	0.8
91.05470	2.3
92.06227	0.5
92.44583	0.4
93.07014	0.4
94.43242	0.3
95.04946	0.6
95.14297	0.3
97.02888	5.8
99.04446	0.9
99.08099	2.5
102.67800	0.3
103.04819	0.5
103.05460	7.5
107.04219	0.8
107.04943	13.1
107.08591	0.4
108.05735	0.8
109.02860	1.6
110.76220	0.3
115.05405	0.4
116.06213	0.8
116.87891	0.3
117.07001	2.6
119.04991	0.4
119.08541	0.3
121.06490	11.5
122.07275	17.7
123.04414	1.4
127.03887	3.7
129.06981	0.5
131.04916	37.4
131.21564	0.3
133.06456	1.5
135.08040	2.6
137.05988	3.9
144.05634	0.5
145.04933	4.0
145.06122	0.4
145.06477	0.4
146.07227	2.4
147.08034	16.5
148.08815	11.5
149.05914	0.5
150.09059	0.5
159.08049	5.2
160.08788	1.3
161.05930	0.4
161.09555	0.5
163.07524	25.6
163.11142	2.3
164.07867	0.3
170.68767	0.3
171.08008	0.5
172.04008	0.3
173.09651	2.2
180.08632	2.7
183.07948	0.5
185.09633	0.4
187.11142	0.7
188.11942	1.3
189.09030	0.4
191.10649	11.0
203.10539	0.5
204.06526	0.8
206.13014	4.9
207.10139	24.5
208.10489	0.5
211.07549	1.8
221.09911	0.4
221.11731	2.9
224.08401	0.5
225.08862	0.5
228.07704	0.5
229.08517	3.0
237.09074	1.5
241.08586	1.5
251.10515	0.5
255.10159	0.4
263.11823	0.4
267.10074	0.8
296.14008	2.0
309.14853	3.0
312.98233	0.3
327.15872	100.0
328.16238	2.6
337.11795	0.6
344.18610	2.2
345.16873	2.4
412.47592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01954	0.6
53.03952	0.9
55.01871	6.0
57.03433	10.0
59.04992	0.7
60.04522	0.9
61.02927	5.0
65.03952	0.9
69.03429	11.8
69.28503	6.4
69.28825	1.4
71.01335	2.9
73.02914	13.6
79.05483	1.9
80.05006	0.7
80.49064	0.7
81.03414	1.6
82.06551	0.8
83.71034	0.7
85.02904	23.2
87.04447	1.5
89.03895	0.7
91.03927	1.0
91.05470	2.6
93.07030	3.0
94.06549	2.1
95.04962	0.7
95.07340	1.1
96.08145	3.1
97.02886	14.1
98.06050	1.1
99.04448	1.7
103.03938	0.9
103.05460	7.8
105.07011	3.6
107.04942	11.0
108.08090	2.3
109.02882	1.8
110.09678	6.2
115.03934	8.9
115.05436	1.2
116.04964	0.8
117.07036	1.2
120.05684	1.1
120.08125	5.2
121.06491	1.4
121.10115	1.4
124.05217	0.8
124.07582	1.0
126.05543	1.2
127.03912	5.5
131.04909	2.0
132.06548	0.9
133.04961	12.0
135.08043	7.3
136.07571	2.1
138.05479	0.8
138.09140	7.8
139.03883	5.3
144.04404	1.3
144.06537	2.7
145.04971	6.2
146.06026	1.0
147.04384	1.1
148.07558	1.7
149.09584	1.1
150.07613	1.8
154.06245	44.3
162.07582	1.2
163.06088	2.3
163.07535	32.2
165.05498	0.8
166.05019	1.2
166.08638	16.0
167.07034	2.1
172.03897	4.2
177.05617	0.6
180.07549	3.7
190.04955	1.7
195.10167	100.0
196.10463	1.0
209.10828	0.9
223.08595	0.6
224.09491	0.7
225.10103	1.0
237.10297	2.4
251.11742	1.1
265.09665	4.2
266.10654	0.7
278.01309	0.7
279.11209	2.3
280.08490	0.8
283.10648	1.2
293.09210	2.7
297.12216	1.6
325.11826	3.0
335.10278	1.8
340.10410	1.0
341.11234	3.9
342.14294	0.8
353.11432	4.8
425.78827	0.7
460.19061	0.9
478.19949	1.1
488.18015	1.0
506.19211	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	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.6
55.05500	9.0
57.07073	24.9
62.66830	1.5
67.05499	18.8
69.07060	11.0
69.92924	2.3
69.93333	7.5
71.08628	21.9
79.05474	7.7
81.03418	56.0
81.07050	23.8
83.04977	2.6
83.08619	27.2
85.10188	14.8
89.05553	1.5
91.05450	10.1
93.07057	4.4
95.04962	15.1
95.08600	21.3
97.10182	8.4
99.11772	1.7
105.07027	7.3
107.04947	3.2
107.08614	3.2
108.02339	1.5
109.10155	10.4
111.04460	1.6
111.08081	6.7
111.11770	1.7
119.08572	9.5
121.06463	2.2
121.10165	3.0
123.11697	6.1
129.07008	6.2
131.08551	7.1
133.10138	3.7
137.13274	2.5
147.08093	1.8
147.11656	5.1
149.09613	1.9
149.13248	2.1
157.10124	9.1
175.11174	9.0
178.16071	1.5
181.05005	5.7
193.12244	42.5
209.07983	1.7
231.13774	1.8
239.23721	8.8
249.14896	6.6
445.20303	1.8
505.38876	100.0
506.39447	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	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01870	6.6
57.03436	10.9
59.04994	1.1
60.04507	1.1
61.02932	3.7
67.05493	1.2
69.03428	11.3
70.46239	2.4
71.01345	2.4
71.04972	0.9
73.02918	13.4
79.05469	3.3
81.03412	2.9
81.07039	0.7
83.04971	1.2
85.02905	22.5
87.04456	2.1
91.05470	2.4
93.07043	2.0
95.04966	1.9
95.08576	1.3
97.02885	15.9
97.28413	0.6
98.06049	0.7
99.04441	1.5
103.02419	0.6
103.03918	0.8
103.05453	2.9
105.03378	0.7
105.07032	4.5
107.04953	41.4
107.08582	1.3
109.02875	2.1
109.06503	0.8
109.10139	1.0
111.04330	0.6
115.03181	0.9
115.03936	11.0
115.05421	2.5
116.06300	0.6
117.06992	1.3
119.04928	0.9
119.08547	1.4
120.04411	0.6
120.05753	0.6
121.06496	0.9
121.10137	1.9
121.82707	0.5
123.04429	0.9
123.08051	4.3
125.06046	0.8
127.03901	6.0
131.04906	1.1
131.08556	0.7
132.06531	1.5
133.04973	10.0
135.08040	12.5
137.05977	1.4
144.06560	2.5
145.04955	6.4
145.06126	0.7
145.06387	0.5
147.04399	1.4
147.08018	0.7
147.11714	0.7
148.05219	0.6
150.07600	1.5
151.03917	0.9
154.06224	1.9
158.52063	0.6
162.05486	0.7
162.07582	1.6
163.03896	2.6
163.07538	48.1
165.09058	1.3
166.08548	0.8
167.03412	0.8
167.07040	8.8
175.07399	0.7
178.44595	0.7
180.07582	3.3
181.04951	0.9
181.10570	0.6
183.10239	0.7
187.07556	1.4
195.10168	100.0
196.10455	1.5
205.08453	0.6
207.10112	0.8
215.07408	0.5
219.10269	0.8
224.76329	0.6
241.06935	1.1
249.05219	0.6
252.17168	0.6
259.08054	0.9
273.11279	0.7
291.12140	0.9
294.11835	1.0
301.69467	0.6
309.11050	0.8
331.08109	1.8
506.20032	0.8
507.23877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03937	2.2
55.01846	1.0
55.05511	6.0
56.12794	0.3
57.03413	1.2
57.07074	17.2
59.19967	0.3
65.03920	0.9
66.52296	0.4
67.05503	13.6
69.03398	0.9
69.07065	4.7
71.03490	0.6
71.04964	0.8
71.08630	13.3
79.05490	7.4
81.03415	39.9
81.07053	12.4
83.04984	1.9
83.08617	12.5
85.06538	0.7
85.09747	0.5
85.10188	6.8
91.05478	10.4
93.06596	0.3
93.07042	3.8
95.04963	12.5
95.08603	12.9
97.02877	1.2
97.06498	1.0
97.10175	2.9
99.11734	0.6
103.05465	3.0
105.07032	6.1
106.91264	0.4
107.04957	3.6
107.08586	1.9
109.06531	0.8
109.10156	7.1
111.04422	1.0
111.08083	3.5
111.11651	0.6
115.05415	0.9
117.06985	1.4
119.08569	5.2
121.02836	0.5
121.06498	1.1
121.10130	1.7
123.04418	0.8
123.08052	0.7
123.11678	2.7
125.05956	0.8
125.09563	0.4
125.13243	0.5
128.06180	0.4
129.07011	4.4
131.04918	8.3
131.08542	4.2
133.06459	1.3
133.10114	2.3
135.08093	0.4
135.11684	0.6
137.09613	0.6
137.13216	0.9
138.03088	1.4
142.07765	1.2
143.08505	0.5
145.10112	0.8
147.08041	1.9
147.11690	2.5
149.09610	2.3
149.10693	0.4
151.03845	0.5
151.11177	0.4
153.52023	0.3
155.08537	0.8
157.10130	3.9
165.12785	0.8
166.02589	1.4
167.07071	0.5
175.11206	4.2
179.03355	0.9
179.14307	0.9
181.04947	100.0
182.05309	2.6
184.03677	2.0
193.04982	1.7
193.12238	23.5
204.86638	0.4
221.22528	0.5
239.23723	3.7
249.14809	3.4
277.21606	0.7
280.70004	0.3
285.11191	51.5
286.11569	2.5
291.20947	2.5
297.11160	0.8
333.22925	0.4
487.28986	0.4
505.29843	2.4
505.38879	39.7
506.30191	0.3
506.39212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56595	2.3
53.03943	3.2
55.01852	3.6
55.05511	17.3
57.07071	45.2
67.05504	32.9
69.03424	2.6
69.07071	15.1
70.73216	4.8
70.73531	2.6
71.08634	30.4
79.05496	18.3
81.03415	97.5
81.07056	35.3
83.08619	29.6
85.10180	16.3
91.05478	22.1
93.07043	13.4
95.04961	26.6
95.08598	34.7
97.10162	11.3
98.44349	2.4
105.07041	14.3
107.04929	4.2
107.08585	9.0
109.10152	15.1
111.08079	6.3
117.07034	3.3
119.08604	12.7
121.06458	3.2
121.10130	8.4
123.08033	2.2
123.11699	8.4
129.06949	10.7
131.08546	7.4
131.29248	2.1
133.06436	2.6
133.10126	4.4
135.11684	5.2
137.09633	2.7
137.13235	2.8
142.07722	3.6
145.10139	3.1
147.11681	9.0
149.09639	3.7
149.13289	3.6
157.10123	8.3
175.11179	9.6
181.04935	15.5
193.12219	27.3
202.11864	2.2
205.24399	2.2
209.08163	3.2
214.17970	1.9
239.23680	8.9
249.14868	3.8
253.21863	2.1
463.32376	2.1
482.26321	2.4
505.38803	100.0
506.38773	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13165	0.8
53.03937	2.7
55.01853	0.9
55.05240	1.1
55.05507	16.3
57.03434	6.4
57.07059	3.1
59.04994	4.1
60.91101	1.0
65.03927	3.5
65.95956	1.0
65.97466	1.1
67.05500	100.0
68.05815	1.9
69.03414	1.0
69.07058	10.5
69.42330	5.9
69.42732	2.2
71.04987	5.4
71.08634	1.9
71.34447	0.7
72.78826	0.8
77.03913	1.5
79.05488	25.7
81.03413	1.4
81.07050	38.0
83.04974	0.8
83.08620	9.3
83.09079	1.3
85.06529	3.6
86.09700	1.6
91.05473	46.6
93.07036	37.2
93.07634	1.3
95.04985	4.5
95.08604	26.5
95.12699	0.9
97.06516	2.3
97.10176	4.1
99.08065	3.2
103.05450	1.3
104.10741	1.2
105.06313	2.0
105.07024	41.3
107.08591	20.3
109.06506	2.0
109.10149	71.1
110.10493	1.4
111.08066	3.2
117.07015	10.4
118.07758	0.9
119.08572	43.5
121.10140	13.7
123.08038	1.1
123.11707	1.7
124.99986	1.1
125.09593	3.5
127.11147	1.0
128.06250	1.0
129.06972	6.1
131.04927	2.1
131.08565	17.8
133.10124	27.9
134.10550	1.3
135.08058	1.1
135.11687	15.0
137.09633	4.2
143.08534	5.7
145.06450	1.2
145.10109	15.5
147.11678	29.7
149.09621	1.0
149.13258	9.5
151.11186	1.6
155.10661	3.1
157.10126	7.9
159.11681	12.8
161.13255	20.5
163.11150	1.9
163.14798	2.6
167.03339	1.6
171.11673	9.1
173.11723	20.6
173.13251	8.2
175.14804	7.9
177.12741	1.5
179.03380	8.5
179.14282	3.4
181.04898	2.0
183.11703	1.4
184.07336	2.0
185.13243	8.4
187.14793	3.1
189.11136	2.8
189.12643	1.7
189.16463	1.1
189.40959	0.9
191.14291	1.4
197.04454	2.5
199.14812	4.3
201.16379	2.0
203.14323	1.6
213.16365	1.5
215.17961	1.1
217.15932	1.1
227.12682	5.2
229.14330	50.5
230.14561	1.2
231.21101	7.4
239.18102	1.0
241.19484	23.8
243.21049	1.9
259.20551	65.3
260.20984	2.3
261.22137	2.8
266.43127	1.1
275.20007	1.6
277.21606	3.0
281.08102	1.6
283.09622	3.6
283.20557	1.2
315.23087	4.6
333.24213	27.8
395.29178	1.6
413.30609	1.9
439.22717	1.0
487.34204	10.5
505.27054	1.7
505.35226	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	505.3521
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03948	2.0
53.24607	1.2
55.01852	1.9
55.05284	1.1
55.05510	13.9
57.03440	6.8
57.07059	3.0
59.04985	4.0
59.45301	1.1
65.03922	3.4
67.05501	100.0
69.03435	1.3
69.07066	8.1
70.16280	0.9
70.65363	3.3
70.65717	1.5
71.04965	4.0
79.05491	22.4
79.82424	1.1
81.06603	1.8
81.07053	30.6
83.04978	1.2
83.08620	7.3
85.06529	3.8
91.04912	1.7
91.05475	33.2
93.06494	1.8
93.07043	28.7
95.04951	4.0
95.08604	17.5
97.06522	1.6
97.10146	2.7
99.08063	1.6
103.05429	1.9
105.07026	33.0
107.08590	18.2
109.06497	1.6
109.10149	71.1
110.10435	1.3
111.08066	3.7
117.06979	8.8
119.08569	32.6
121.10142	10.8
122.23803	1.2
123.08041	1.7
123.11702	1.4
125.09582	2.3
129.06978	6.6
131.08569	12.6
133.10115	23.3
135.11694	9.3
137.09576	2.7
143.08549	4.7
145.10126	13.2
147.11668	23.0
149.13261	6.2
155.10664	4.7
156.09317	1.3
157.10095	4.8
159.11679	11.6
161.13239	18.1
163.11163	1.8
163.14824	2.0
171.11639	6.5
173.11714	25.9
173.13257	7.0
175.14827	8.3
177.12878	1.6
179.03360	3.0
179.14273	2.3
181.04974	3.3
183.11734	1.3
185.13229	7.8
187.14742	1.4
189.11168	2.6
199.14752	2.9
201.16377	1.7
217.19540	1.2
227.12698	6.1
229.14328	50.5
230.14639	1.6
231.21086	5.6
241.19482	20.8
243.21019	1.4
257.18961	1.5
259.20557	48.8
261.22220	2.0
270.05295	2.1
277.21664	2.5
281.08026	4.0
285.07587	4.7
315.23087	3.4
333.24219	25.8
363.19968	1.2
413.30646	2.3
487.34094	9.5
505.25894	3.5
505.34940	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
54.71643	1.0
55.01871	2.5
55.05509	17.6
57.03425	8.7
57.07071	2.7
57.95607	1.1
59.05000	2.7
59.06906	1.0
59.64869	1.1
65.03937	3.9
65.67827	1.1
67.05501	100.0
68.05826	1.2
69.03420	1.4
69.07050	7.4
70.55813	4.2
70.61253	1.1
71.04994	3.7
71.08603	1.4
79.05487	28.6
81.03471	1.5
81.07047	32.9
83.04980	1.7
83.08618	9.6
85.06541	4.8
91.05476	36.2
91.06032	2.2
93.07035	31.0
94.38897	1.1
95.04967	5.7
95.08601	17.8
97.06496	1.8
97.10189	4.1
99.08080	2.5
103.05445	1.5
105.07026	35.8
107.08589	19.8
109.06495	1.4
109.10152	68.7
111.08106	3.1
117.07030	9.1
119.08572	36.9
120.96184	1.0
121.10143	13.2
123.08055	1.2
123.11691	1.9
125.09639	3.3
129.06973	5.3
131.04907	2.4
131.08556	15.1
133.10123	23.7
134.10567	1.3
135.08072	1.3
135.11678	9.5
137.09602	4.2
139.11131	1.3
142.07605	1.3
143.08606	4.8
145.10124	11.8
147.11676	27.3
149.09607	1.1
149.13263	8.5
154.24352	1.3
155.10655	3.0
157.10150	5.6
159.11681	11.2
161.13229	21.9
163.11186	1.9
163.14864	4.0
167.03397	1.2
168.73938	1.0
171.11688	9.7
173.11749	24.7
173.13275	9.1
175.14819	10.3
177.12755	1.3
179.03374	6.0
179.14366	1.2
181.04982	4.1
183.11711	1.5
185.13269	6.7
187.14828	4.2
189.11151	2.1
189.16371	1.4
197.04373	1.3
199.14813	5.0
211.14853	1.2
213.16367	1.5
227.12712	5.9
229.14336	52.9
230.14661	1.8
231.21048	5.0
241.19504	24.8
241.21782	2.0
243.21225	1.3
257.19186	1.4
259.20554	51.7
261.22070	3.4
275.19833	1.2
277.21622	2.4
283.09692	2.6
307.09930	1.3
315.23206	4.7
333.24255	26.6
333.28204	1.5
424.00436	1.3
487.23938	1.4
487.34311	9.7
505.27145	2.2
505.35092	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00033	2.0
55.05505	11.9
55.41549	1.9
57.07064	3.9
67.05502	29.6
69.07056	15.5
71.08606	3.2
71.52265	3.7
76.62979	1.9
79.05483	24.4
81.03385	4.1
81.07050	49.7
83.04975	5.9
83.08610	11.0
85.06549	3.0
91.05465	23.2
93.07038	34.8
95.04955	8.0
95.08601	34.1
97.06521	6.8
97.10143	2.6
98.33763	2.3
103.05461	3.1
105.07019	35.1
107.04906	2.2
107.07883	3.5
107.08583	45.3
109.06503	8.2
109.10155	21.4
117.07005	5.8
118.10033	2.1
119.08574	39.1
120.56502	2.6
121.06487	3.5
121.10136	32.5
123.08029	3.9
123.11666	5.3
125.09618	2.7
129.06938	4.0
129.24115	2.1
131.04962	3.9
131.08553	14.1
133.10106	32.7
134.08080	2.0
135.08041	5.1
135.11696	19.0
143.08527	8.0
145.10118	31.2
146.73329	2.3
147.11661	19.8
148.64822	2.0
149.09555	4.1
149.13234	9.5
151.11148	9.2
153.09070	2.6
157.10023	5.9
159.08052	2.8
159.11688	16.9
161.09573	5.0
161.13254	12.5
163.11156	7.2
163.14798	5.0
167.67235	2.2
171.11662	8.9
173.09619	2.2
173.13245	10.0
175.14812	100.0
176.15247	3.2
177.12840	4.2
177.16382	72.3
179.03363	20.4
179.14275	5.5
184.07381	5.3
185.13203	10.1
186.31380	2.3
187.14807	42.8
189.12746	5.0
189.16307	4.8
193.15834	7.4
197.04491	4.1
199.14757	4.0
201.16364	21.3
203.14287	32.4
203.17976	3.9
205.15854	40.5
207.13791	6.7
213.16454	3.5
215.17862	3.1
219.17365	12.3
221.15366	18.3
223.16946	9.1
229.15891	6.1
231.17473	4.9
232.43268	2.5
233.83232	2.4
241.19481	2.5
247.16969	9.2
249.14841	30.4
259.20578	3.3
271.20474	4.1
273.22098	2.4
281.17493	4.3
283.09717	5.8
285.07632	4.5
299.09259	2.9
314.16238	2.2
387.30386	3.8
405.31519	21.4
423.32556	37.9
433.30774	3.7
441.33682	14.4
451.32123	36.0
457.37637	2.5
459.34702	13.2
469.33286	27.3
487.34363	4.8
505.35071	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	505.3523
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.68694	0.8
55.01875	1.0
55.05505	3.7
57.03432	0.9
57.07064	1.7
67.05502	10.0
69.03405	1.2
69.07079	5.0
69.41524	6.8
71.08603	1.0
72.18494	0.8
79.05489	8.1
81.03395	1.2
81.07047	13.8
83.04961	1.7
83.08606	2.9
91.05466	8.0
92.81662	0.9
93.07041	11.0
95.04958	2.7
95.08601	13.3
96.11018	0.9
97.06533	2.2
97.10191	1.2
103.05476	0.9
103.31812	0.8
105.07021	14.7
107.05020	1.2
107.08588	16.0
109.06505	2.8
109.10147	9.9
111.08102	1.8
117.07024	3.3
119.08581	20.0
121.06502	2.5
121.10133	12.3
123.08076	5.2
123.11718	2.8
125.09610	1.2
128.06236	1.0
129.06985	1.4
131.04944	1.4
131.08546	11.3
133.10117	13.1
135.08061	1.6
135.10826	0.8
135.11655	4.5
137.09578	1.3
141.06909	1.4
143.08569	3.5
145.10110	13.7
147.11681	10.5
149.09573	2.2
149.13281	4.2
151.11195	1.3
157.10132	4.5
159.11676	11.7
161.09622	1.8
161.13255	5.2
163.11153	1.8
163.14830	4.7
169.10155	1.9
171.11694	3.9
173.13239	9.2
175.11316	1.2
175.14824	6.6
177.12746	1.1
177.16393	3.6
179.03394	2.6
183.11723	1.4
185.13287	3.5
187.14836	8.2
189.12802	1.6
189.16403	4.1
191.14288	10.5
191.17952	1.9
197.13261	1.3
199.14760	4.4
201.16367	17.7
203.14333	7.9
203.18002	6.0
205.15881	9.9
207.13788	1.2
211.14890	1.4
213.16473	2.5
215.14380	1.2
215.17961	2.9
217.15860	1.5
219.17555	6.2
221.15361	3.9
227.17886	1.9
229.15935	1.6
229.19600	1.9
235.16972	2.6
241.19545	2.4
243.21129	1.6
247.16968	7.4
249.18497	1.0
255.21187	3.1
259.20578	1.2
269.22534	1.3
281.17548	1.4
287.05292	1.0
301.21600	2.1
363.25058	4.6
377.30933	1.2
389.26846	2.8
405.31448	3.2
418.11734	1.1
420.73706	1.0
421.31308	1.5
423.32468	3.6
433.31064	1.1
441.33554	3.9
451.32166	4.2
459.34680	100.0
460.34967	4.6
469.33118	3.8
487.24567	1.4
487.34924	5.5
505.35413	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	505.352
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
53.03935	1.5
55.01861	1.2
55.05499	4.7
57.03432	0.9
59.18093	1.1
64.67544	1.0
66.98205	1.0
67.05492	10.6
69.03424	1.6
69.07066	8.8
69.45248	1.7
69.45656	7.6
71.04973	1.5
79.05480	7.1
81.03413	1.7
81.06601	1.4
81.07047	18.1
83.04948	2.8
83.08595	2.9
85.06554	1.2
91.05444	10.9
91.05874	1.0
93.07033	15.2
95.04928	3.8
95.08594	23.3
97.02867	1.2
97.06521	2.1
97.10148	3.3
103.05412	1.3
105.07021	16.0
107.04935	3.8
107.08584	27.4
109.02853	2.2
109.06489	5.0
109.10148	11.6
111.08071	2.1
115.05434	1.8
117.07023	3.4
119.08563	17.6
121.06461	4.6
121.09343	1.7
121.10131	21.5
123.04465	1.5
123.08022	3.1
123.11685	3.4
125.09613	2.2
129.06984	1.0
131.08549	11.1
133.06445	1.1
133.10095	9.2
135.08046	3.7
135.11668	6.6
137.05991	2.3
137.09624	3.1
143.08524	4.4
145.10115	15.7
147.08009	1.3
147.11661	12.6
149.05829	1.1
149.09602	3.1
149.13277	10.5
151.07536	1.4
151.11128	1.1
157.08881	1.1
157.10062	5.4
159.11653	11.3
160.07545	11.1
161.07985	1.4
161.09534	2.0
161.13243	6.4
163.11151	3.0
163.14787	17.0
165.09055	1.4
165.12708	1.5
171.11694	3.4
173.13229	10.3
175.11180	1.8
175.14845	6.1
177.12830	1.7
177.16379	14.6
183.11745	1.7
185.13219	4.6
187.14810	18.1
189.12758	1.7
189.16347	4.2
191.10701	1.1
191.14291	11.7
191.17964	2.6
199.14795	2.0
201.16325	9.0
203.14284	3.5
203.17978	1.9
205.15851	100.0
206.16232	2.5
209.15404	5.8
209.17133	1.1
213.16389	2.9
215.17986	4.0
219.17462	5.9
227.17981	2.6
229.16129	1.3
229.19513	2.4
231.17459	1.3
241.19460	1.5
255.20978	2.4
269.22714	1.7
277.14148	1.3
321.72043	1.1
373.74042	1.2
405.31519	3.1
423.32391	4.6
441.33508	14.1
451.31555	1.2
459.34644	85.3
460.34872	6.0
469.19427	1.2
487.07996	1.5
487.34457	1.3
505.09003	2.1
505.21548	3.5
505.27258	1.9
505.34250	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28212	3.7
52.41255	4.5
55.05503	11.3
67.05482	15.8
69.07058	12.7
69.30566	4.1
79.05473	12.6
81.07043	31.5
83.08607	10.2
87.39889	5.0
91.05450	23.3
93.07041	36.0
95.08608	55.7
103.39492	4.2
105.07023	54.2
107.08588	58.2
109.06476	7.3
109.10126	25.4
110.65205	3.9
111.08077	6.0
117.06982	10.7
119.08581	100.0
121.06534	3.8
121.10147	34.0
123.11681	6.3
128.06175	5.1
129.07014	6.0
131.08580	38.9
133.10130	61.9
133.22229	3.9
135.11673	17.9
137.13251	4.3
142.07764	13.8
143.08566	27.6
144.09277	5.3
145.10117	92.1
147.11703	39.8
149.09583	6.6
149.13261	11.6
155.08638	9.8
156.09389	10.8
157.10126	54.2
158.10793	4.3
159.11688	73.6
161.09601	6.3
161.13249	17.3
163.07486	4.5
163.11121	8.0
163.14822	12.1
169.10121	18.4
170.10846	8.9
171.11623	27.6
173.13255	49.2
175.11116	5.0
175.14827	26.2
177.12820	7.1
177.16360	24.9
183.11647	16.8
185.11559	4.2
185.13223	22.8
187.14827	66.6
189.16356	41.8
191.14307	8.7
191.17944	10.9
197.13239	18.2
199.14801	63.1
201.16310	33.5
203.14371	6.2
203.17941	18.0
205.15851	11.8
211.14774	22.9
213.16414	14.3
215.14371	5.9
215.17978	10.2
217.15892	19.4
219.17557	10.2
225.16364	5.0
229.19536	8.9
230.01320	5.3
231.17413	10.6
233.15350	12.2
235.16945	14.4
239.17896	5.4
247.16965	18.6
249.18475	5.0
259.17105	4.9
261.18515	5.3
267.20993	6.4
285.18469	6.6
291.21005	18.9
293.22485	4.7
347.27481	10.9
387.30289	22.2
390.70374	5.5
393.31610	8.7
405.31509	40.9
421.30969	6.0
423.32364	17.5
433.30978	91.2
451.32217	35.5
469.32837	9.6
487.33640	7.0
505.33765	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	505.3519
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03952	0.7
55.05507	2.0
57.07045	0.6
67.05193	0.5
67.05498	4.2
69.07062	3.8
69.37969	1.3
69.38372	4.6
71.05000	0.6
79.05473	3.7
81.07055	9.7
83.04965	0.9
83.08620	2.1
91.05474	6.3
93.07028	8.2
95.04945	1.1
95.08607	12.2
97.06532	0.7
97.10167	0.9
103.05530	0.6
105.07024	11.8
107.08585	14.7
109.06509	1.7
109.10159	5.5
111.08054	1.0
117.07037	2.2
119.08580	17.4
121.06521	2.1
121.10128	9.0
123.08076	4.0
123.11691	2.7
125.09648	1.2
129.07010	1.3
131.08553	9.3
133.10117	12.4
135.08061	2.2
135.11679	4.4
137.09616	2.5
137.13188	0.8
142.07756	0.7
143.08551	3.2
144.09314	0.7
145.10117	12.7
147.08054	1.0
147.11690	10.6
149.09613	1.9
149.13252	4.2
151.50195	0.5
155.08513	0.9
156.09280	0.6
157.10110	5.1
158.10858	0.7
159.11687	10.8
161.09612	1.5
161.13234	4.6
163.11177	2.4
163.14833	6.9
169.06245	0.5
169.10126	1.5
169.25247	0.6
170.10910	0.9
171.11697	4.1
173.13242	7.2
175.11203	1.0
175.14838	6.9
177.12743	0.8
177.16402	2.8
183.11720	0.9
185.13252	4.0
187.14809	13.1
189.12730	0.9
189.16330	3.8
191.14296	10.6
191.17911	1.1
197.13318	1.5
199.14838	4.0
201.16382	15.9
201.18262	0.9
203.14317	4.1
203.17943	6.3
205.15874	12.3
209.13402	0.7
209.15340	8.1
211.14876	1.6
213.16248	2.9
215.17998	1.8
217.15919	2.0
219.17511	1.5
221.15321	2.8
223.14745	0.7
225.16418	1.8
227.17868	1.8
229.15863	1.2
229.19589	1.3
233.15431	0.7
235.16899	1.0
241.19571	2.2
243.21089	1.1
247.16924	5.5
253.19424	0.8
255.21045	3.9
257.22601	1.3
267.21091	0.8
269.22711	1.6
287.19992	0.6
301.21695	1.7
307.69135	0.7
363.25226	5.0
377.31931	0.7
387.30283	0.9
389.26898	4.0
391.30286	0.8
393.31580	0.9
405.31506	3.4
409.76624	0.6
421.30933	1.6
423.32596	3.4
433.30991	2.1
441.33676	4.9
451.31952	5.7
459.34665	100.0
460.35074	4.5
469.33051	2.0
473.04874	1.2
487.34128	1.8
505.09247	0.9
505.35104	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	505.3522
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.25294	0.8
55.01880	0.9
55.05514	3.8
57.03458	1.2
57.07079	0.9
61.42764	0.7
67.05504	8.7
69.03422	2.0
69.07057	5.0
69.95671	2.4
69.96114	2.5
71.05006	2.2
71.08631	0.8
79.05502	7.2
81.03432	2.5
81.07048	12.4
83.04967	1.5
83.08627	2.2
91.05467	7.1
93.07041	12.5
93.07576	1.2
95.04982	3.2
95.08607	15.3
97.02927	1.0
97.06528	1.5
97.10198	1.6
98.21454	1.0
99.08057	0.8
103.05491	1.9
105.07032	12.1
107.04942	5.1
107.08586	17.2
109.02937	1.4
109.06557	3.0
109.10149	9.0
111.08111	1.8
113.39037	0.8
117.07047	3.5
119.08575	10.9
121.06503	2.8
121.10145	10.4
123.08118	2.6
123.11729	2.0
125.09653	1.8
129.07027	2.3
131.04958	3.0
131.08572	8.6
133.06511	0.9
133.10138	9.4
135.08099	3.5
135.11674	5.6
137.06006	1.7
137.09618	1.9
137.13295	0.9
142.07777	1.1
143.08577	2.6
145.06493	1.0
145.10112	11.3
147.08049	1.7
147.11674	9.6
149.09657	3.0
149.13234	5.5
151.11165	1.5
157.10185	3.2
159.11690	9.2
161.09624	1.9
161.13240	6.5
163.07619	1.2
163.11182	2.2
163.14787	6.5
165.09111	1.1
168.07468	0.8
169.10106	1.2
171.11720	3.1
173.13225	7.6
175.14813	4.1
177.16388	5.3
183.11702	1.6
185.13318	3.1
187.14803	12.4
189.12772	1.2
189.16440	2.4
191.10721	1.1
191.14308	12.0
191.17967	2.1
194.07103	1.0
199.14938	2.3
201.16383	6.7
203.14369	2.9
203.17979	2.4
205.15862	34.4
211.14899	1.1
213.16301	1.2
215.18025	3.3
219.17479	2.5
227.17993	1.0
229.19601	0.9
238.06381	1.1
241.19624	1.0
247.16940	1.1
253.08580	1.1
255.21091	1.7
267.06763	0.8
267.09940	1.0
283.09708	3.8
285.11258	1.5
385.08066	1.0
405.31601	1.3
423.32736	1.8
441.33667	4.3
459.34680	100.0
460.35089	5.0
469.32822	1.4
487.08188	2.1
487.34201	2.0
505.08652	8.9
505.21829	2.6
505.28186	3.0
505.34799	2.0
506.09503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.01868	5.4
55.05508	25.6
57.02143	2.6
57.03428	8.9
57.07069	4.5
65.03933	2.9
67.05140	4.1
67.05502	73.1
68.33196	2.5
69.07059	13.3
71.04988	3.8
71.08617	4.9
73.06545	3.0
79.05490	87.9
81.03412	17.3
81.07053	58.5
83.04978	18.0
83.08618	9.6
85.06524	2.6
91.05475	76.7
93.07037	86.2
95.04969	25.9
95.08607	36.7
97.06540	8.0
97.10172	3.5
103.05460	5.5
105.07025	58.7
107.04949	7.1
107.08586	26.8
109.06519	9.5
109.10148	22.6
110.06779	2.1
111.08054	3.0
117.07021	16.5
119.08578	37.4
121.06543	4.4
121.10138	11.0
123.08054	7.1
123.11738	3.0
127.07635	3.1
128.06216	3.5
129.06990	23.4
131.04932	13.7
131.08557	6.6
131.45212	2.2
133.06508	2.5
133.10112	19.2
135.11671	5.0
139.06044	2.0
142.07698	2.8
143.08519	13.7
145.10100	16.2
147.11676	49.6
149.13292	2.7
157.10164	2.8
159.11740	5.3
161.09608	4.1
161.13252	21.7
163.11198	3.7
167.03479	2.8
167.06989	11.8
171.09361	2.5
171.11685	35.7
173.11810	4.5
173.13217	3.6
175.14861	3.0
175.37030	2.3
179.03391	12.8
179.14293	5.2
181.04948	100.0
183.06537	5.1
185.13321	2.7
189.12720	17.7
193.04988	9.2
193.12265	6.7
197.04460	4.4
207.13771	40.8
207.15520	3.6
209.08130	3.0
221.07932	3.0
225.14868	6.8
229.14337	9.0
229.46965	2.7
241.19406	3.1
247.36635	2.4
259.20486	10.2
277.21698	2.8
281.17441	60.7
281.20386	4.1
283.09622	4.2
285.11252	13.5
297.07510	4.7
297.10953	3.5
305.22781	3.0
411.64493	2.3
487.30518	57.4
505.28534	4.2
505.38812	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	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
51.51158	1.7
53.03954	9.5
55.01863	5.7
55.05508	26.5
57.03432	12.4
65.03931	5.4
67.05503	99.3
69.03421	1.8
69.07064	18.3
71.04980	3.4
71.08608	3.7
71.51428	2.8
73.06541	3.6
77.03930	2.2
79.05489	100.0
81.03394	11.2
81.07051	65.6
83.04977	19.7
83.08618	11.0
85.06535	6.5
91.05476	81.5
93.07039	99.1
93.07640	3.5
95.04962	31.1
95.08602	34.7
97.06534	6.6
97.10175	6.3
99.08074	3.6
105.04510	2.3
105.06315	3.4
105.07024	66.9
107.04945	7.1
107.08588	28.2
109.06507	7.8
109.09476	2.5
109.10155	20.8
111.08067	3.6
115.05443	2.9
117.06995	12.3
119.07729	2.0
119.08576	40.3
121.06516	5.9
121.10139	9.4
123.08054	7.2
125.09626	2.5
128.06241	3.2
129.07004	26.2
131.08545	7.1
133.06557	2.3
133.10129	17.3
135.11681	6.3
143.08553	19.1
145.10133	19.5
147.08022	4.6
147.11685	57.6
149.09636	2.4
149.13200	2.3
155.10710	2.0
157.10080	3.1
159.11662	4.6
160.34073	1.8
161.09642	6.1
161.13240	20.5
163.11157	3.2
167.03401	22.2
171.11681	47.8
171.13158	2.8
173.11731	4.1
173.13141	3.4
177.16365	3.0
179.03445	5.3
179.14284	8.3
181.51033	1.8
189.12698	20.2
203.14278	2.1
207.13792	49.3
225.14731	9.5
229.14397	5.8
241.19633	3.5
259.20590	7.2
271.09628	3.6
277.13507	1.9
277.21548	2.1
281.17490	68.3
283.09686	2.2
285.07651	6.6
487.30508	68.7
505.35202	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	505.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
55.01847	6.7
55.05506	26.1
57.03427	8.8
57.07061	3.6
57.44850	3.1
65.03935	7.8
67.05505	83.0
69.03407	4.0
69.07065	16.2
70.24779	6.1
70.25180	8.8
70.35040	2.6
71.04998	7.4
71.08630	3.3
79.05489	83.2
81.03418	11.2
81.07052	60.7
83.04967	15.5
83.08612	13.2
85.06553	5.2
88.75425	3.1
91.05470	73.1
91.99737	3.2
93.07039	100.0
95.04960	25.7
95.08613	51.5
97.06564	6.9
97.10186	5.3
99.08091	5.0
103.05482	3.0
105.07033	71.9
107.04982	10.4
107.08604	40.7
109.06522	9.0
109.10149	24.2
111.08060	5.1
115.05479	4.5
117.07010	20.0
119.08581	54.6
121.06473	5.4
121.10135	23.4
123.08135	14.3
123.11756	4.2
128.06204	4.9
129.07007	26.2
131.08594	20.8
133.10120	33.2
135.11690	10.1
137.09613	3.5
142.07797	4.5
143.08575	19.1
145.10132	30.7
147.08051	5.0
147.10533	3.7
147.11694	61.3
149.13264	4.5
157.10274	3.9
159.11684	18.4
160.02701	3.2
161.09630	7.4
161.13252	20.7
163.11191	8.8
163.14868	8.2
165.09119	3.3
167.03407	10.6
169.10167	3.5
171.11691	44.1
173.13271	12.6
175.11317	3.1
175.14847	10.8
177.16484	5.5
179.03394	7.7
179.14304	7.7
185.13313	7.4
187.14832	14.3
189.12741	19.4
189.16409	7.4
191.14392	9.3
199.14757	6.4
201.16360	21.0
203.14371	4.3
203.17877	6.0
205.15872	17.1
207.13814	45.9
209.13202	3.6
213.16327	3.8
215.17944	3.1
219.17487	6.7
221.15417	3.5
225.14865	9.6
229.14323	4.6
241.19394	4.6
255.21094	3.4
263.16409	5.6
270.71738	3.8
281.17493	70.7
389.27054	4.4
423.32602	3.6
427.96814	3.5
441.33890	3.3
459.34668	91.6
460.34598	4.3
469.33099	4.2
473.04599	4.5
487.30417	69.7
505.27414	4.6
505.34875	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	505.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88391	0.5
53.03930	1.5
53.07448	0.5
54.39130	0.5
55.01875	1.0
55.05510	4.3
57.03427	1.8
57.07074	3.9
58.36255	0.5
60.60234	0.5
65.03933	1.4
66.33601	0.5
67.05505	20.6
69.03409	1.1
69.07069	4.6
69.65244	1.3
69.65672	2.9
71.04974	0.8
71.08639	3.2
79.05490	9.0
81.03420	7.3
81.07051	13.1
83.04994	1.4
83.08625	4.3
85.06531	1.0
85.10188	0.9
91.05472	12.9
93.03416	0.5
93.07038	10.2
95.04955	4.6
95.08605	11.8
97.06500	1.6
97.10154	1.6
98.20766	1.1
99.08056	1.4
103.05461	5.6
103.24773	0.6
105.07026	12.2
107.04928	1.6
107.08598	9.2
109.06527	1.3
109.10155	18.1
111.04470	0.8
111.08059	2.0
117.07024	2.9
119.08573	10.9
121.02843	0.7
121.10125	5.5
123.11648	1.1
125.05994	1.3
125.09568	0.6
129.06985	2.3
131.04921	11.7
131.08540	2.7
133.10121	6.9
135.04358	0.7
135.11702	3.7
137.09631	1.1
137.13248	0.6
138.03110	2.0
139.42534	0.6
142.07736	0.6
143.08551	1.3
145.10083	3.2
146.67769	0.7
147.08084	0.8
147.11688	11.2
149.13237	1.7
151.03888	0.7
151.11136	1.0
157.10129	1.5
159.11700	2.4
161.13242	4.1
163.11217	0.8
163.14764	0.9
166.02623	2.6
166.91867	0.6
167.03384	1.0
167.07068	1.4
171.11690	1.4
173.11714	3.1
173.13295	1.6
175.11209	0.8
175.14815	1.6
179.03384	2.3
179.14282	1.7
181.04945	100.0
182.05260	1.8
184.03630	2.4
185.13303	0.9
191.06917	0.6
193.04951	2.2
193.12279	5.8
195.00323	0.7
197.04521	1.1
203.17961	6.4
209.08023	1.0
221.08110	1.0
227.12848	1.0
229.14355	4.6
231.21031	1.2
235.44771	0.6
239.23558	1.2
241.19470	2.7
259.20520	5.5
261.21976	0.8
277.21664	2.6
283.09509	0.7
285.11194	60.1
286.11597	1.7
297.07895	0.6
297.11331	1.5
333.24185	3.0
336.31400	0.7
409.41278	0.6
413.30533	0.7
487.24521	0.9
505.35623	4.6
505.38290	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	505.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01868	3.6
55.05509	10.4
57.03440	2.7
57.07074	23.3
65.03934	2.5
67.05502	29.2
68.99429	0.9
68.99785	1.8
69.03421	1.6
69.07076	10.7
69.53492	7.0
71.04996	1.5
71.08633	15.7
77.18958	0.9
79.05491	12.2
81.03417	44.6
81.06595	1.8
81.07052	26.5
81.07529	1.6
81.77683	0.9
83.04975	3.8
83.08621	18.7
85.06538	1.3
85.10181	9.3
90.77277	0.8
91.05476	25.2
93.07040	14.5
95.04961	20.7
95.08604	22.8
97.02885	1.6
97.06532	2.4
97.10166	6.0
99.08083	2.3
103.05465	7.9
105.03368	1.8
105.04454	1.1
105.07026	15.9
107.04922	3.4
107.08591	11.1
109.06490	5.5
109.09396	0.9
109.10151	17.1
111.04409	1.1
111.08088	5.3
115.05464	1.9
117.07027	6.4
119.08569	15.5
121.06525	2.3
121.10135	8.7
123.04492	1.6
123.11684	9.8
125.05957	1.5
128.06226	1.9
129.06998	8.9
131.04922	26.8
131.08562	9.0
133.06499	2.1
133.10126	7.4
135.04433	1.7
135.11694	4.1
137.05978	2.5
137.09607	2.3
137.13274	2.0
138.03113	1.9
141.07011	1.8
142.07750	2.0
143.08568	3.3
145.10121	3.7
147.07959	1.6
147.11659	7.2
149.09625	2.9
149.13254	3.5
151.03894	2.5
151.11183	1.1
153.05400	3.2
155.07063	2.5
155.08458	1.5
157.10133	7.1
159.11667	2.9
161.13269	5.4
163.03841	2.2
163.11179	1.4
163.14870	1.5
165.06926	1.1
166.02548	1.5
167.03380	4.0
167.07063	10.4
167.08484	1.6
171.11670	1.1
173.13242	1.2
174.20879	0.8
174.69885	0.9
175.11205	6.5
175.14809	3.5
177.05435	1.3
177.16393	2.5
179.03386	27.6
179.04947	1.7
179.08527	1.2
179.14330	4.8
181.04950	100.0
181.10114	2.0
182.05348	2.3
183.06560	2.3
184.03629	2.8
185.13210	1.5
186.72440	0.9
187.14749	1.3
189.01811	1.5
189.16347	1.6
191.07050	2.2
193.04973	15.5
193.10420	1.8
193.12221	18.1
197.04416	7.1
201.16420	2.1
203.03372	5.7
203.17955	2.4
205.04958	1.7
209.08092	17.4
211.05951	2.0
217.04912	1.4
221.04480	6.4
233.08128	1.0
235.06017	1.1
239.23631	4.8
242.05698	3.6
243.10223	1.7
246.08893	1.4
249.14893	3.1
259.20456	1.5
261.07635	1.6
267.10159	1.3
269.11780	1.2
270.05099	4.4
271.09616	1.4
277.21628	4.4
281.07950	1.2
281.11761	1.3
283.09662	9.6
285.07562	27.8
285.11172	11.5
288.51511	1.1
297.11185	7.0
305.22626	1.6
307.09531	4.1
315.21091	1.5
333.21863	1.9
365.13586	1.5
365.17529	1.5
383.18503	5.6
469.23456	1.7
487.24561	3.9
487.29236	2.3
487.34796	1.2
505.29095	8.4
505.38715	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05492	1.1
57.07075	4.6
65.03922	0.5
66.19731	0.3
67.05502	4.0
69.07088	1.2
70.22475	0.9
71.08632	3.8
77.05259	0.2
79.05488	2.1
81.03418	9.8
81.07053	2.7
83.04955	0.5
83.08615	3.6
85.10177	2.0
89.78500	0.3
91.05472	3.6
93.03451	0.3
93.07030	1.0
93.79597	0.3
95.04965	3.4
95.08593	3.9
97.06541	0.3
97.10151	0.9
99.11715	0.3
103.05457	2.6
105.07036	1.9
106.00862	0.2
107.04935	0.8
107.08597	0.6
109.06490	0.4
109.10144	2.2
111.04390	0.4
111.08060	0.9
111.11694	0.3
116.06321	0.3
117.06983	0.9
119.04919	0.3
119.08575	1.3
119.77793	0.3
121.02764	0.2
121.06480	0.6
121.10162	0.6
123.04427	0.7
123.11687	0.9
125.05994	0.7
125.13309	0.3
127.98683	0.3
129.06985	1.4
131.04919	7.2
131.08533	1.1
133.06450	0.4
133.10144	0.8
135.04446	0.4
135.11681	0.5
138.03119	1.2
141.06973	0.5
145.10136	0.5
147.11668	1.0
149.09579	0.5
151.03815	0.3
153.05484	0.5
157.10124	1.0
165.12717	0.3
166.02588	1.7
167.07109	0.4
175.11188	1.1
179.03365	0.3
179.08665	0.4
179.14270	0.3
179.67162	0.2
181.04945	100.0
182.05318	1.2
184.03683	1.3
193.04942	0.8
193.12236	7.4
209.08026	0.3
235.14789	0.3
239.23668	0.7
243.10234	0.8
249.14722	0.5
269.95261	0.3
285.11200	51.6
286.11569	1.4
291.21063	1.9
309.22391	0.4
333.22275	0.5
487.28320	0.4
494.59650	0.3
505.29425	3.3
505.38745	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01847	1.0
55.05509	4.9
57.07071	16.9
65.03934	1.0
67.05498	11.3
69.03403	0.7
69.07060	5.0
71.04974	0.8
71.08254	0.7
71.08624	12.9
79.05077	0.5
79.05489	6.4
81.03413	29.5
81.07049	14.0
83.04961	2.0
83.08163	0.8
83.08609	10.3
85.06512	0.5
85.10175	6.5
91.05472	12.7
93.07046	5.1
93.34818	0.4
94.04195	0.4
95.04383	0.6
95.04958	10.0
95.08600	14.0
97.02875	0.8
97.06495	1.0
97.10173	3.4
98.21510	1.4
103.05447	2.1
105.07024	9.1
107.04955	3.2
107.08598	2.3
107.09224	0.4
107.43570	0.4
109.06498	1.0
109.09492	0.5
109.10149	7.3
111.04416	1.1
111.08072	2.9
111.11662	0.6
115.05407	1.2
117.06988	1.7
119.08569	6.7
121.06490	1.1
121.10110	2.3
121.13604	0.4
123.04416	0.6
123.08057	1.0
123.11684	2.8
125.05956	1.0
125.13297	0.6
128.06203	0.8
129.06985	4.5
131.04910	4.7
131.08536	3.5
133.06509	1.4
133.10112	4.6
135.11682	0.7
137.09576	0.5
137.13235	0.8
138.03105	1.1
141.06969	1.1
142.07732	1.0
143.08562	0.5
145.10110	1.2
147.07993	1.1
147.11661	4.5
149.09586	1.2
149.13248	0.5
151.03879	0.9
155.06964	0.8
157.10110	4.5
159.11629	0.5
161.13170	0.6
163.11166	0.7
166.02586	2.4
167.07022	1.5
167.08446	0.7
175.11163	4.2
179.03386	1.5
179.14259	1.2
181.04938	100.0
182.05225	1.0
183.06529	1.1
184.03632	1.7
185.13229	0.6
187.14857	0.4
193.04984	2.1
193.12230	21.4
197.04460	0.6
203.17935	1.8
207.11763	0.5
209.08061	0.5
221.13347	0.5
221.22623	0.4
229.14299	0.5
231.13878	0.7
239.23668	3.8
249.14690	1.9
277.21606	0.6
283.05984	2.4
285.07776	1.5
285.11166	26.1
286.11493	0.8
291.21179	0.7
305.22589	2.0
333.22070	0.8
383.22189	1.4
487.28857	2.5
505.29956	1.8
505.38882	36.4
506.39377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05510	3.7
57.03443	0.8
57.07072	3.9
59.04975	1.0
65.03933	1.0
67.05502	16.8
69.03404	1.0
69.07063	4.7
69.86636	2.2
69.87048	2.0
71.08635	3.8
71.52065	0.7
79.05490	8.4
81.03415	7.6
81.07053	12.7
83.04993	1.5
83.08615	4.4
85.06512	0.8
91.05477	13.5
93.07041	7.1
95.04961	5.4
95.08600	10.0
97.06568	2.1
97.10152	1.7
98.55792	0.7
99.08089	1.4
103.05460	8.2
105.03427	0.9
105.07033	10.9
107.04934	1.8
107.08562	6.0
109.06500	1.2
109.10149	12.8
111.04491	1.0
111.08080	2.0
112.93706	0.7
115.05444	1.8
117.07021	4.5
119.08585	9.0
121.10166	4.2
123.04413	1.3
123.11716	1.9
125.05972	1.3
129.06982	1.6
131.04921	20.3
131.08551	2.2
133.10115	5.4
135.08032	0.8
135.11681	2.6
138.03130	2.1
143.08553	1.1
145.10124	2.4
147.11684	8.5
149.09532	1.1
149.13271	1.7
151.03888	1.2
151.11142	1.1
153.05339	0.9
157.10190	1.2
159.11728	0.8
161.13232	2.5
163.03862	1.0
166.02658	1.3
167.03452	1.6
167.07045	1.9
169.10378	0.8
171.11781	1.2
173.11752	1.6
175.11160	1.1
179.03404	5.7
179.14317	2.1
181.04950	100.0
182.05322	5.2
183.05469	1.1
184.03682	3.0
193.04938	4.0
193.12228	4.7
195.00258	0.8
197.04451	1.4
201.16412	1.0
203.17857	3.8
207.13803	0.8
229.14412	1.9
239.23683	1.0
248.11362	0.9
259.20544	2.3
277.21625	3.1
283.09720	1.7
285.11200	50.9
286.11676	1.1
297.07632	2.2
297.11230	5.0
327.79648	0.8
333.24161	1.6
379.62015	0.8
487.28809	1.7
505.26505	2.6
505.38541	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	505.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01857	0.8
55.05492	1.5
55.76457	0.4
57.07059	0.6
65.03938	0.9
67.05175	0.6
67.05498	5.4
69.07061	2.5
71.08622	0.8
75.04230	0.4
76.68631	0.4
79.05489	2.7
81.03394	0.5
81.07056	3.8
85.06539	0.6
91.05478	5.5
93.07036	2.8
95.04968	1.9
95.08608	4.1
97.06525	1.8
99.08041	0.4
103.05466	5.9
105.07032	5.8
107.08597	3.7
109.10146	5.4
111.04401	0.9
111.08075	0.5
117.07018	0.9
118.31912	0.4
119.08567	4.4
121.10120	2.5
123.04427	0.6
123.11678	1.1
125.05976	1.4
131.03920	0.6
131.04918	12.5
131.08560	0.7
132.05273	0.4
133.10124	3.2
135.11742	0.7
138.03087	2.2
145.10051	0.9
147.11681	7.4
149.02391	0.4
149.09630	0.5
149.13254	0.8
151.11201	0.5
153.05438	0.5
161.13240	1.4
161.73598	0.4
166.02586	2.8
167.03371	0.4
167.07005	1.5
173.11722	0.8
179.03374	1.8
179.14377	1.0
181.04938	100.0
182.05252	1.6
184.03635	2.0
189.11278	0.4
193.04948	1.5
201.16357	0.5
203.17949	5.1
209.08070	2.0
219.06558	0.4
221.18880	0.4
243.10080	0.7
259.20486	0.8
277.21585	0.8
283.09586	0.7
285.11188	61.6
286.11557	1.1
297.07693	0.9
297.11203	1.3
333.24054	0.5
399.25122	0.7
505.25378	0.5
505.35123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	2.0
55.05503	3.3
57.03444	1.3
57.07066	1.7
59.04992	5.7
67.05501	7.3
69.03419	3.8
69.07058	6.9
69.37437	6.8
69.37847	2.2
71.04995	12.0
73.02903	1.4
79.05489	14.0
81.03406	3.3
81.07052	44.9
83.04959	3.0
84.47679	0.9
85.02444	1.1
85.02893	5.4
85.06550	1.6
91.05472	3.9
91.66415	1.0
91.93440	1.0
93.07046	15.0
95.04976	5.4
95.08602	13.7
97.02874	2.2
97.06522	11.3
99.04431	1.7
103.05424	1.4
105.07016	11.4
107.04958	4.0
107.08579	7.4
109.06525	2.8
111.04435	2.7
111.08070	1.6
116.10738	2.7
117.07024	1.2
119.04943	1.1
119.08553	5.5
121.02828	2.2
121.06486	2.2
121.10136	100.0
123.04428	1.1
123.08078	3.5
123.11698	27.0
125.05991	13.3
125.09647	3.6
127.03949	1.3
133.06522	1.3
133.07710	1.1
133.10138	1.9
137.05983	3.8
139.11169	26.8
143.10641	4.3
145.04961	1.3
145.06447	1.4
145.10130	2.0
147.04399	3.1
147.08047	1.3
147.11703	1.4
149.06007	1.2
149.09593	10.4
149.13159	1.2
157.06537	1.6
159.04431	1.4
161.06007	1.9
161.09610	1.1
163.07581	1.4
167.10667	36.5
173.06036	2.1
175.07509	1.4
177.05452	7.6
185.11726	5.8
189.05478	5.7
191.06880	1.1
193.04993	1.4
197.05952	2.5
201.05449	4.0
203.06969	1.0
207.10152	2.4
211.07567	1.2
213.05504	3.9
215.06934	1.4
225.05530	2.6
226.14395	1.2
227.07039	1.7
227.14865	1.1
239.06998	1.8
243.06549	3.5
245.08281	1.2
255.06593	1.6
267.06512	8.1
269.13718	2.1
281.08530	1.5
285.07669	2.9
303.08606	1.7
325.14310	2.6
343.15405	6.4
389.19937	2.2
407.20871	5.6
459.08539	3.9
487.08017	6.5
487.19272	1.5
487.27017	1.7
488.08197	1.2
504.33954	2.1
505.09299	8.9
505.28180	1.0
505.34479	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	505.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.7
69.03397	5.2
70.06551	5.5
71.04984	4.1
71.50780	4.1
81.03394	5.2
85.02903	8.7
85.03997	3.6
91.05482	25.9
93.07032	5.0
95.04925	4.9
97.02873	9.1
107.08622	3.9
110.81213	3.9
110.84286	3.6
117.03378	5.5
119.04938	31.7
119.08547	3.8
123.04407	4.7
137.05960	6.0
145.02869	20.9
145.67404	3.8
147.04424	38.9
149.06003	4.2
149.09579	4.5
157.03937	4.2
158.08154	5.6
161.05954	3.9
175.03911	56.5
177.05486	37.1
179.06905	6.7
199.08652	5.5
207.06509	100.0
211.08636	7.8
212.09259	5.1
213.10202	9.0
225.10216	10.7
227.08107	4.6
227.11717	9.0
239.11751	6.8
240.08958	5.0
240.12462	4.4
241.09653	8.9
245.12886	7.4
253.09676	9.3
255.11256	14.1
257.12839	5.1
267.11307	12.2
268.11938	9.7
269.12720	5.3
278.96848	3.8
281.12704	6.2
285.12256	4.9
295.10782	12.1
297.12234	12.7
301.11771	11.0
313.11887	20.9
314.12396	5.5
321.12311	5.5
325.11502	5.5
335.13608	6.3
341.11212	7.8
342.11972	5.6
356.40369	4.7
361.13647	5.7
369.11627	8.9
373.13950	10.0
379.13123	7.3
399.15613	6.1
409.13712	15.4
425.13345	13.3
427.15027	13.3
437.13446	7.6
445.16132	30.2
455.14484	16.5
457.15784	7.8
473.15588	60.2
487.17068	13.7
505.18326	70.7
505.22006	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80222	1.7
53.49532	1.8
55.01869	1.9
57.03436	1.8
58.67271	1.6
65.03939	2.0
69.03416	5.3
71.04992	1.5
71.51587	1.7
71.51980	2.1
74.71474	1.5
79.05468	1.8
81.03397	5.9
81.07038	3.3
83.04967	3.1
85.02890	5.8
89.03894	1.6
91.05470	25.6
93.07040	2.0
97.02866	5.1
97.03459	1.5
101.05979	2.1
105.06975	2.5
109.02871	3.1
109.10125	1.9
116.66075	1.5
119.04942	33.0
119.37051	1.6
121.10088	3.2
127.03972	2.7
131.04967	2.2
137.05975	10.4
145.02815	2.0
147.04388	26.1
151.07555	5.3
156.38081	1.6
163.07480	1.6
163.13321	2.1
164.55435	2.0
167.07054	1.5
175.03905	45.1
177.05351	4.4
179.07030	5.2
191.03389	2.0
199.08612	3.0
207.06505	100.0
211.08737	4.4
212.09315	3.9
213.10193	6.2
225.10234	7.4
226.07278	5.7
226.10936	2.4
227.08125	7.4
227.11690	3.8
237.10390	2.2
239.08220	3.2
239.11763	4.0
240.08823	2.7
240.12575	3.7
241.09697	9.1
242.10551	4.9
245.12799	3.8
251.11632	2.7
253.09741	4.9
254.10408	2.9
255.11246	7.7
257.12869	3.1
265.09650	3.7
267.11292	8.2
268.08594	2.3
268.12018	6.7
269.09216	2.1
269.13040	2.0
271.20425	1.7
273.12103	2.0
281.09210	2.4
283.10727	3.3
285.12280	1.7
295.10767	7.7
296.11554	5.2
297.12262	4.0
301.11874	7.3
311.10294	2.1
313.11826	14.9
314.12604	2.6
325.11752	5.0
327.13260	2.2
329.11197	2.1
341.11279	4.5
342.11987	7.3
343.12671	2.4
349.11771	2.3
351.13684	2.2
357.10666	2.0
363.13232	3.4
367.12830	1.9
369.11655	6.2
371.12350	3.4
373.13834	5.3
379.12750	5.3
381.14487	5.9
385.14313	1.7
391.12646	2.6
397.13834	3.1
399.15594	4.0
409.13715	6.9
425.13583	11.0
427.14819	9.3
429.16492	1.9
437.13474	3.0
445.16061	16.0
455.14502	18.0
457.15811	3.1
473.15536	53.4
487.16931	11.1
491.80145	1.7
505.17297	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
54.08936	1.6
55.01859	2.1
57.03424	1.9
65.03948	2.2
69.03425	3.3
71.50981	2.9
73.14481	1.6
81.03398	2.6
81.07064	2.6
85.02898	4.9
91.05467	20.4
93.07048	2.1
97.02866	4.6
99.04387	1.9
119.04939	34.2
121.10120	3.4
127.03890	3.3
132.02071	2.8
137.05974	10.3
145.02924	1.9
147.04414	28.0
151.07562	3.4
157.03923	2.1
160.25668	1.9
163.03888	2.0
167.07094	2.4
175.03914	44.0
177.05507	2.9
179.07001	6.4
199.08681	3.6
207.06516	100.0
211.08638	3.1
212.09532	2.7
213.10222	4.4
225.10167	5.7
226.07301	4.4
227.08104	3.9
227.11736	2.4
237.10126	2.5
238.10745	2.1
239.08321	2.2
239.11749	4.3
240.12657	2.8
241.09715	5.8
242.10428	3.2
245.12730	2.4
251.11787	2.3
253.09691	3.7
255.11253	5.1
257.12817	2.6
267.11194	6.5
268.08243	2.1
268.12018	6.8
269.12708	3.5
278.10532	2.2
281.09280	2.5
281.12866	2.1
283.10684	2.7
285.12433	3.1
295.10568	4.4
296.11395	5.1
297.12256	4.0
299.10193	2.5
301.11765	5.6
307.10565	3.3
313.11752	11.0
314.12570	2.7
325.11758	2.6
327.13330	2.3
339.09659	2.3
339.13327	2.4
341.11298	2.7
342.12109	5.3
357.10733	2.2
363.13095	2.3
369.11517	5.1
371.12335	2.8
371.84515	2.0
373.13843	5.4
379.12784	7.2
381.14529	3.9
391.13239	2.0
397.13831	3.3
399.15558	4.4
409.13760	6.3
425.13367	8.7
427.14850	6.4
437.13519	2.5
445.15997	19.5
455.14365	16.8
457.15686	2.7
473.15543	55.2
487.16962	6.0
504.68448	2.2
505.17218	36.9
506.18594	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	504.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
57.03422	2.0
61.02905	3.5
67.05479	2.1
69.03425	6.9
69.07057	1.9
69.97813	4.1
81.03395	3.0
81.07044	1.5
82.54958	1.2
85.02901	25.1
85.13600	1.0
91.04023	1.4
91.05479	1.3
95.04962	1.5
95.08583	2.1
97.02882	7.4
99.04443	1.6
103.05459	2.1
105.07011	1.9
106.72527	1.1
107.04950	43.7
107.08607	1.9
109.02897	2.5
117.06944	1.5
121.06503	3.8
121.10149	1.2
127.03908	4.2
131.04929	11.2
135.04414	1.9
137.05942	1.9
145.04956	4.5
145.06464	4.8
146.07257	75.2
147.08052	5.2
149.05962	1.7
157.79507	1.4
161.05983	3.6
161.09596	3.7
163.07523	10.1
177.09120	1.2
180.08681	2.5
204.11363	1.2
205.08611	2.7
207.08008	2.2
211.11130	2.6
219.10135	4.2
221.09515	3.4
229.08527	5.7
235.07504	3.4
239.10654	4.2
241.08615	4.1
249.09111	4.6
267.10153	19.7
307.13220	3.4
325.14325	100.0
326.14633	4.1
342.17038	2.7
409.32523	1.1
505.08194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01879	2.3
55.05502	5.0
57.03420	3.0
57.62051	1.6
59.04991	3.1
65.03926	1.8
67.05511	7.4
69.03435	14.5
69.07069	10.0
71.05027	2.2
71.08638	3.3
71.21783	2.7
74.06071	3.5
79.05495	12.8
81.03425	10.2
81.07050	30.8
82.03722	1.4
82.07423	2.6
83.04980	3.5
84.04501	3.5
85.02893	11.0
85.06521	2.1
86.06056	3.4
87.04466	4.6
91.05459	7.8
93.03374	3.1
93.07037	27.9
93.07579	2.7
94.07343	2.2
95.04968	4.5
95.08606	11.9
96.08934	2.0
97.02905	11.3
97.06516	3.2
97.10216	2.5
98.06045	1.7
98.09672	2.5
99.04450	2.8
102.04657	2.0
103.58558	1.5
105.07024	10.0
106.07365	1.9
107.04922	2.2
107.08571	10.4
108.08104	1.6
108.08908	1.8
109.02882	4.7
109.06516	2.1
109.10162	8.1
110.09687	3.3
110.10476	2.8
111.04445	9.6
111.08134	2.2
114.05505	3.1
115.03935	6.0
116.10753	8.6
119.04913	2.7
119.08588	6.2
121.02857	1.9
121.06520	3.8
121.10146	30.8
121.10981	1.4
122.10470	2.3
123.08064	4.4
123.11702	7.2
124.07623	2.0
125.06007	2.4
127.03927	7.2
131.04865	2.1
131.08574	5.5
133.04961	5.4
133.10092	5.6
135.11705	2.6
136.07567	2.5
137.09607	2.5
138.09897	1.8
139.11125	2.9
142.12262	4.8
143.08453	2.4
145.04984	2.9
145.10138	3.0
147.04404	7.8
147.11661	3.9
149.09613	60.3
149.13225	2.6
151.07544	1.9
151.11182	2.7
159.11710	3.0
161.09679	2.0
166.15927	2.5
166.39265	1.5
167.10681	25.0
173.13316	1.9
174.07722	9.5
175.11211	4.5
176.04689	100.0
185.13220	2.1
192.13840	3.9
196.16991	4.6
204.08652	2.4
207.06599	3.3
210.14891	42.6
210.16763	3.2
214.18018	59.1
226.14320	2.8
293.13837	8.4
299.06146	1.8
305.24881	1.8
306.25165	2.4
311.14798	11.5
329.15933	4.7
450.24869	2.0
486.27005	5.3
487.08170	1.9
488.07800	1.7
504.08109	10.8
504.16663	2.0
504.23938	3.4
505.08823	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.2
55.01868	2.5
57.03440	2.6
61.02921	4.6
69.03413	9.9
69.57555	5.7
69.57976	7.5
71.38690	1.6
73.02903	2.8
81.03416	5.1
85.02898	43.5
87.04486	2.4
91.03977	1.6
91.05813	2.8
97.02882	12.7
98.21497	3.5
100.75024	2.2
109.02870	5.3
111.83481	1.6
119.04955	2.0
121.02878	4.4
123.04433	6.2
127.01072	1.8
127.03873	10.4
130.75180	1.9
131.04970	2.1
133.06450	11.6
145.04970	7.6
145.06456	2.2
147.04408	16.8
157.06465	4.3
159.04422	3.2
161.05972	44.0
163.03949	1.7
167.05614	1.9
171.04395	2.8
173.05975	8.5
175.03897	2.9
177.05487	3.5
181.06422	1.7
185.05959	6.0
187.03972	3.1
187.07648	2.1
189.05466	90.7
191.03404	15.9
197.05971	4.3
199.07495	9.8
201.05478	28.6
213.05470	3.4
215.06990	6.2
227.07034	5.3
229.05156	5.2
241.90886	1.7
243.06558	7.2
261.07581	10.8
265.07001	8.9
278.13037	1.7
279.08609	5.2
299.06332	1.8
307.08099	100.0
318.04446	2.1
325.09164	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	503.3729
Annotation	7beta-Hydroxy-23-deoxojessic acid
Peak:m/z	Relative Intensity
53.03946	4.2
55.05511	14.5
57.07062	8.6
59.04990	2.6
61.10929	2.5
65.03923	2.9
66.23547	2.2
67.05500	28.2
69.07069	15.2
71.04986	7.8
71.08633	3.6
71.52480	3.2
79.05484	16.4
79.95755	1.9
81.03424	21.9
81.07050	31.2
83.08616	11.8
89.06021	2.5
91.05460	16.5
93.07035	21.7
95.04961	8.5
95.08602	35.2
97.06520	3.1
97.10155	10.2
99.08121	4.8
103.05467	3.6
105.03378	4.7
105.06387	3.1
105.07030	27.6
107.04945	4.9
107.08585	23.4
108.95024	2.2
109.06525	4.2
109.10142	30.5
111.08121	2.5
111.11737	3.5
117.07008	6.0
119.08570	35.8
121.06530	2.5
121.10128	31.9
123.08059	5.1
123.11687	7.0
127.11171	2.9
129.06943	6.6
131.04904	7.5
131.08597	13.8
133.10124	32.7
135.08081	2.5
135.11690	17.2
137.09624	3.8
143.08556	6.7
145.10130	23.2
146.03993	2.2
147.08054	3.2
147.11697	31.3
149.02332	1.9
149.09616	4.5
149.13268	8.6
151.11159	3.6
155.08595	2.6
157.10165	12.5
159.11671	19.1
161.09560	3.2
161.13232	13.6
163.11110	4.1
163.14821	3.4
167.03433	2.6
167.06984	3.5
169.10107	3.1
171.11711	6.9
173.11903	2.3
173.13283	7.8
175.11148	3.5
175.14859	5.4
179.03441	3.7
179.14366	2.9
181.04938	41.1
183.11633	2.9
185.13322	3.1
187.14783	10.4
189.16347	49.9
191.18010	2.9
193.04942	13.0
193.12233	7.1
197.04266	2.8
197.13295	2.7
199.14828	8.6
201.16389	8.9
203.17950	7.8
205.06345	2.3
205.19522	2.5
211.14999	3.3
213.16382	4.9
215.18016	2.6
217.15900	9.2
219.17361	6.6
225.16446	5.1
231.17284	3.1
232.56601	2.2
235.16953	8.5
255.21054	3.4
259.20718	3.3
275.20035	6.7
283.09842	3.5
285.22293	2.5
297.11139	8.1
325.25269	2.6
351.30490	5.6
363.38199	2.5
365.78604	2.7
387.28784	5.8
397.30966	11.3
406.34561	2.7
421.34595	18.7
439.35614	4.1
449.33939	4.0
467.35226	22.6
485.36273	100.0
486.36462	6.3
503.27258	3.6
503.36768	21.7
522.40955	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	503.3369
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03937	1.6
55.05516	6.3
57.03416	2.0
57.07059	2.4
62.76012	1.3
65.03931	1.3
66.93140	1.2
67.05504	6.8
69.03407	4.6
69.07063	7.3
70.95699	1.7
70.96046	2.2
71.04998	1.4
71.08629	1.8
73.02869	1.8
79.05490	6.8
81.03412	3.8
81.07057	17.8
83.04968	3.9
83.08612	2.6
85.02901	4.0
85.06546	3.6
86.06078	5.5
91.05441	7.8
92.20849	1.1
93.07043	14.4
95.04958	2.7
95.08603	17.8
97.02859	3.4
97.06528	2.5
97.10165	2.3
98.09686	2.0
99.04460	1.5
99.08083	1.8
101.06022	1.5
105.07025	13.7
107.04951	1.9
107.08585	21.5
109.02854	2.1
109.06509	3.3
109.10145	9.7
110.10452	1.3
111.04433	3.8
111.08075	2.3
116.10744	7.1
117.07046	2.3
119.04935	1.2
119.08582	10.7
121.06476	2.7
121.09323	1.9
121.10136	14.4
123.08070	4.4
123.11684	3.9
125.09630	1.8
127.03931	3.6
129.06960	2.2
131.08572	7.7
133.10155	9.0
135.08054	3.0
135.11705	7.7
135.53821	1.1
137.05959	3.0
137.09613	2.3
137.13309	1.7
139.07520	1.3
139.11162	1.3
143.08551	5.1
145.10143	11.3
147.04434	1.9
147.08101	1.6
147.11691	7.5
149.09593	7.4
149.13261	11.5
151.07460	1.6
153.01761	1.3
155.08609	1.8
156.09325	2.0
157.10146	7.0
159.08118	1.3
159.11673	7.4
161.09630	2.8
161.13261	4.8
163.11189	3.4
163.14821	13.4
165.09146	1.8
165.12700	1.8
167.07082	1.3
167.08514	1.4
169.10094	2.3
171.11642	7.4
173.09671	2.1
173.13237	7.2
175.03935	2.2
175.07503	1.3
175.11168	2.7
175.14844	4.4
177.12856	1.5
177.16356	9.6
183.11699	3.2
185.09651	1.3
185.13295	6.1
187.11166	2.0
187.14809	10.5
189.12775	2.6
189.16362	1.6
191.10664	1.5
191.14270	4.2
197.13281	2.9
199.14774	4.0
201.12767	2.5
201.16405	4.4
203.14343	2.8
205.15874	25.0
205.17841	1.4
207.06583	2.4
209.13367	1.9
211.14835	2.3
213.16484	3.1
214.18018	2.6
215.14265	2.5
215.17848	1.4
217.15878	2.3
219.13832	2.1
223.14880	1.3
225.16464	1.5
226.14380	4.1
229.15974	2.7
231.13879	1.9
233.15181	1.7
244.15511	1.6
245.15410	2.2
247.16988	1.1
253.19540	4.7
258.91467	1.2
268.18756	1.1
268.62677	1.1
277.25739	1.4
305.24667	2.3
358.07086	1.3
367.44260	1.4
388.19611	4.6
391.30011	1.3
403.29977	1.9
406.20660	7.9
421.31104	5.6
439.32050	14.1
449.30255	3.6
457.33118	100.0
458.33286	3.7
467.31235	3.4
485.32800	5.5
500.04126	1.2
503.23660	1.4
503.34094	8.4
504.28140	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3366
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03948	6.7
55.01871	8.8
55.05508	21.3
57.03423	8.7
57.07080	7.7
59.05010	3.6
62.12381	3.5
65.03929	5.7
67.05501	38.5
69.03421	21.8
69.07060	29.4
71.04976	10.2
71.51130	5.3
75.04480	7.2
79.05492	44.6
81.03416	12.8
81.07054	97.2
83.04978	11.8
83.08602	12.6
85.02901	17.3
85.06541	12.5
86.66321	3.5
87.04475	8.4
91.05458	45.2
93.07043	75.1
95.04954	25.1
95.08603	89.3
97.02896	7.6
97.06528	21.1
97.10184	6.8
99.04455	8.2
99.08109	5.0
105.07024	100.0
107.04953	15.7
107.08591	78.2
109.02859	4.2
109.06521	16.0
109.10150	45.9
111.08058	15.0
113.05993	6.2
117.06996	22.3
119.08581	95.1
121.06506	15.2
121.09325	7.0
121.10140	64.9
123.04468	4.5
123.08068	29.8
123.11683	21.5
125.05995	10.6
125.09637	16.4
127.03913	9.3
128.06181	5.6
129.06993	11.8
130.07805	5.4
131.04964	7.0
131.08568	69.0
133.06508	5.2
133.10121	82.1
135.08038	17.8
135.11673	31.4
137.05988	14.8
137.09613	16.5
137.13263	6.9
139.11206	6.1
141.07016	6.6
142.07799	10.2
143.08562	40.4
144.09424	5.9
145.10124	76.8
147.04401	6.9
147.08006	9.0
147.11674	58.7
149.09624	22.8
149.13272	27.7
151.07593	6.3
151.11179	13.0
155.08546	13.1
156.09357	6.6
157.10141	47.1
159.08104	6.2
159.11688	63.2
161.05930	5.4
161.09599	20.7
161.13243	31.5
163.11179	17.1
163.14845	13.5
165.06944	3.7
165.09085	5.2
165.12695	4.6
167.08507	3.7
168.09518	4.5
169.10078	21.1
171.11665	34.7
173.09566	10.4
173.13266	61.3
175.11180	20.2
175.14810	20.9
177.05588	4.2
177.12764	13.6
177.16399	5.3
179.07050	5.9
179.10716	4.8
179.14397	5.7
181.10085	5.5
182.10962	8.0
183.11604	20.9
185.13281	27.5
187.14844	35.2
189.12769	28.7
189.16434	19.3
191.14297	35.8
195.11716	13.5
197.13220	18.2
198.65434	3.8
199.11165	8.2
199.14813	38.5
201.12738	22.4
201.16383	6.9
203.14291	12.4
205.15923	11.8
207.11755	5.0
207.13602	6.5
209.13329	5.5
211.14862	12.5
213.12773	4.0
213.16325	19.2
215.14281	22.8
215.17854	6.1
217.15898	31.4
221.13271	4.9
221.15347	7.8
223.14874	10.9
223.16844	8.4
225.16460	7.2
227.17894	5.0
229.15822	8.1
231.13927	5.4
231.17476	8.0
233.15369	9.6
235.16971	10.2
237.14630	4.3
239.17873	4.8
241.15869	6.4
245.15373	8.0
249.14699	7.8
251.18134	5.6
255.17409	5.3
291.21042	4.5
299.19992	5.4
323.18484	4.8
375.25537	4.5
381.28174	4.2
383.26251	4.9
391.30185	7.1
403.30032	12.7
409.31631	6.1
419.29425	11.3
421.30991	14.8
431.29184	12.3
437.30405	18.3
439.32394	23.1
439.37564	5.6
449.30484	33.7
455.31525	32.4
457.33911	4.3
467.31665	51.2
485.32608	36.3
503.07452	8.1
503.33652	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05516	6.3
57.03416	2.0
57.07059	2.4
62.76012	1.3
65.03931	1.3
66.93140	1.2
67.05504	6.8
69.03407	4.6
69.07063	7.3
70.95699	1.7
70.96046	2.2
71.04998	1.4
71.08629	1.8
73.02869	1.8
79.05490	6.8
81.03412	3.8
81.07057	17.8
83.04968	3.9
83.08612	2.6
85.02901	4.0
85.06546	3.6
86.06078	5.5
91.05441	7.8
92.20849	1.1
93.07043	14.4
95.04958	2.7
95.08603	17.8
97.02859	3.4
97.06528	2.5
97.10165	2.3
98.09686	2.0
99.04460	1.5
99.08083	1.8
101.06022	1.5
105.07025	13.7
107.04951	1.9
107.08585	21.5
109.02854	2.1
109.06509	3.3
109.10145	9.7
110.10452	1.3
111.04433	3.8
111.08075	2.3
116.10744	7.1
117.07046	2.3
119.04935	1.2
119.08582	10.7
121.06476	2.7
121.09323	1.9
121.10136	14.4
123.08070	4.4
123.11684	3.9
125.09630	1.8
127.03931	3.6
129.06960	2.2
131.08572	7.7
133.10155	9.0
135.08054	3.0
135.11705	7.7
135.53821	1.1
137.05959	3.0
137.09613	2.3
137.13309	1.7
139.07520	1.3
139.11162	1.3
143.08551	5.1
145.10143	11.3
147.04434	1.9
147.08101	1.6
147.11691	7.5
149.09593	7.4
149.13261	11.5
151.07460	1.6
153.01761	1.3
155.08609	1.8
156.09325	2.0
157.10146	7.0
159.08118	1.3
159.11673	7.4
161.09630	2.8
161.13261	4.8
163.11189	3.4
163.14821	13.4
165.09146	1.8
165.12700	1.8
167.07082	1.3
167.08514	1.4
169.10094	2.3
171.11642	7.4
173.09671	2.1
173.13237	7.2
175.03935	2.2
175.07503	1.3
175.11168	2.7
175.14844	4.4
177.12856	1.5
177.16356	9.6
183.11699	3.2
185.09651	1.3
185.13295	6.1
187.11166	2.0
187.14809	10.5
189.12775	2.6
189.16362	1.6
191.10664	1.5
191.14270	4.2
197.13281	2.9
199.14774	4.0
201.12767	2.5
201.16405	4.4
203.14343	2.8
205.15874	25.0
205.17841	1.4
207.06583	2.4
209.13367	1.9
211.14835	2.3
213.16484	3.1
214.18018	2.6
215.14265	2.5
215.17848	1.4
217.15878	2.3
219.13832	2.1
223.14880	1.3
225.16464	1.5
226.14380	4.1
229.15974	2.7
231.13879	1.9
233.15181	1.7
244.15511	1.6
245.15410	2.2
247.16988	1.1
253.19540	4.7
258.91467	1.2
268.18756	1.1
268.62677	1.1
277.25739	1.4
305.24667	2.3
358.07086	1.3
367.44260	1.4
388.19611	4.6
391.30011	1.3
403.29977	1.9
406.20660	7.9
421.31104	5.6
439.32050	14.1
449.30255	3.6
457.33118	100.0
458.33286	3.7
467.31235	3.4
485.32800	5.5
500.04126	1.2
503.23660	1.4
503.34094	8.4
504.28140	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
53.69364	4.4
55.01854	9.3
55.05500	24.4
57.03433	9.0
57.07066	7.1
61.92274	4.0
67.05495	49.7
69.03419	14.1
69.07063	47.9
71.51424	6.1
79.05486	23.9
80.05099	4.3
81.03410	17.2
81.07050	100.0
83.04973	15.6
83.08611	13.4
85.02905	12.0
85.06522	12.0
91.05418	25.4
93.07041	54.5
95.04958	18.0
95.08603	80.6
97.02872	6.0
97.06512	13.8
97.10155	12.6
99.04424	5.4
99.08092	8.1
103.05451	8.4
105.03418	4.8
105.07030	50.2
106.91811	4.2
107.04948	12.1
107.08582	62.9
109.02859	17.4
109.06503	20.0
109.10149	64.7
111.04454	5.3
112.42790	4.5
117.07034	9.7
119.08575	69.5
121.06499	9.8
121.10135	39.0
123.04419	6.2
123.08054	14.2
123.11694	18.9
125.09612	6.2
127.03915	9.6
129.06978	10.7
131.04922	20.8
131.08553	21.1
133.10118	46.7
135.08054	16.3
135.11676	30.9
137.05983	5.5
137.09636	12.8
137.13237	10.5
142.07855	5.3
143.08542	12.5
143.10556	6.0
145.10089	34.6
147.07985	6.4
147.11716	33.2
149.09593	16.0
149.13261	35.0
151.07494	7.0
151.11153	7.5
153.12708	9.9
157.10159	25.2
159.08070	7.5
159.11707	28.6
161.09618	8.7
161.13264	16.6
163.07497	7.9
163.14804	17.8
165.12721	7.5
167.05553	5.2
167.07091	6.8
169.10104	13.4
171.11687	18.2
173.09619	8.0
173.13229	23.8
175.11209	8.3
175.14748	24.9
177.12741	6.7
177.16380	23.9
183.11697	19.7
185.13239	20.4
187.13406	5.9
187.14824	32.7
189.12737	13.8
189.16339	24.7
197.13269	9.7
199.14778	9.8
201.12791	8.4
201.16388	10.4
203.14204	8.2
203.17975	9.3
211.14847	5.9
213.12752	9.0
213.16354	5.1
217.15851	7.9
229.15785	6.2
245.15703	8.7
247.17004	11.1
267.15787	6.4
285.62433	5.3
287.23849	5.8
299.06244	6.5
305.24664	18.6
323.25720	13.1
391.30103	10.7
403.29776	9.2
421.30905	21.4
431.27817	7.9
439.32190	23.6
449.28345	10.0
457.33344	48.0
467.31012	13.4
485.32376	14.7
503.07281	7.4
503.34149	30.2
504.07968	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	503.3366
Annotation	Dianic acid
Peak:m/z	Relative Intensity
52.01976	0.9
53.03941	1.5
55.01886	1.1
55.05505	5.8
57.03430	1.3
57.07058	1.0
65.03933	1.2
67.05505	7.1
68.94611	0.8
69.03411	3.7
69.03764	1.0
69.07065	7.7
69.23179	9.9
69.94344	0.9
71.04963	2.1
79.05490	7.3
79.79079	0.8
81.03404	3.0
81.06596	1.5
81.07050	20.2
83.04950	1.5
83.08585	2.1
85.02895	2.6
85.06539	2.5
91.05437	6.8
93.07040	15.5
95.04964	3.0
95.07993	1.2
95.08600	19.1
97.02880	1.0
97.06516	2.7
97.10173	3.1
99.04408	1.3
99.08069	1.0
105.01497	0.8
105.07029	14.9
107.04906	1.9
107.07883	1.6
107.08588	19.1
109.02865	3.5
109.06514	6.1
109.10156	8.6
109.87361	0.9
111.08059	2.8
111.11689	0.8
117.06985	3.0
119.08571	24.0
121.06494	1.7
121.10132	13.1
123.04321	0.9
123.08060	3.6
123.11723	4.7
125.09601	3.3
127.03910	1.5
129.07008	1.9
131.08553	6.9
133.06512	1.0
133.10132	13.2
135.08015	4.5
135.11668	6.6
137.05997	1.3
137.09634	1.9
137.13254	1.7
141.07018	1.2
142.07756	1.3
143.08546	4.2
145.10112	12.8
147.04390	1.6
147.07948	2.1
147.11673	9.2
149.09656	2.2
149.13257	7.4
151.11125	1.8
155.08502	1.5
156.09332	2.2
157.10135	7.0
159.11665	8.7
161.09619	3.0
161.13228	4.6
163.11205	2.2
163.14806	6.4
165.09085	1.1
167.08553	1.5
167.10664	1.3
169.10153	2.6
171.11693	5.8
173.09648	1.9
173.13257	8.3
175.11325	1.6
175.14818	20.6
177.12723	1.2
177.16393	7.5
181.10077	0.9
181.12218	1.6
183.11685	3.8
185.13249	6.0
187.03926	1.0
187.11168	2.7
187.14763	9.7
189.12671	1.3
189.16408	3.1
191.14267	2.3
191.18005	1.1
193.15894	2.7
195.11606	1.7
197.13228	2.4
199.14886	3.3
201.12756	1.6
201.16347	7.5
203.14304	29.1
203.17993	1.0
205.15845	5.9
207.06496	1.7
209.13153	2.6
211.14804	3.0
213.16350	3.0
215.14352	2.6
215.17862	1.4
217.15923	2.3
219.13753	1.4
221.13414	1.6
221.15262	4.5
223.14891	1.4
223.16907	1.4
225.16362	2.1
227.06769	1.2
227.17909	2.0
229.15942	1.0
231.17320	1.6
233.15332	2.2
235.17000	1.5
237.16399	1.4
239.06958	1.4
239.18018	2.2
245.15399	1.5
245.18925	1.1
247.17009	2.1
249.14737	6.4
251.16283	1.4
255.21117	2.4
267.21149	1.1
299.06030	1.6
305.24670	3.6
313.17941	1.8
335.27533	1.0
341.13730	7.0
387.25220	2.0
391.25946	1.1
403.29874	3.5
411.32373	1.9
419.29449	2.0
421.31168	7.4
431.28781	2.6
439.32104	12.3
449.30200	5.9
457.33115	100.0
458.33200	3.4
467.31522	5.5
485.32901	5.2
503.08139	2.1
503.34076	9.7
504.08530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.03931	0.8
55.01883	0.8
55.05497	3.7
57.07066	1.2
63.18760	0.6
64.47502	0.6
67.05497	6.2
69.03412	1.9
69.07063	4.1
69.74856	3.0
69.90396	0.6
71.04972	1.4
71.89944	0.6
73.04725	0.7
79.05477	4.0
81.03401	1.4
81.07053	10.5
82.07365	0.7
83.04976	2.7
83.08611	2.3
85.02899	0.8
85.06535	1.7
91.04967	0.9
91.05458	6.1
93.07042	10.9
95.04958	3.5
95.08606	13.3
97.02899	0.9
97.06500	2.9
97.10151	1.5
99.04413	0.7
103.05442	1.0
105.07021	15.0
107.04967	1.3
107.08594	12.3
109.02863	0.6
109.06516	2.6
109.10144	7.1
111.08080	1.3
117.07072	1.6
119.08578	18.7
121.06507	2.0
121.10136	9.8
123.04440	0.9
123.08056	2.5
123.11717	2.1
125.09596	1.7
127.03922	0.7
128.06232	0.8
129.07010	2.1
131.04927	0.7
131.08572	6.6
133.10120	10.2
135.08070	3.3
135.11676	5.8
137.05901	1.3
137.09621	2.4
137.13260	0.6
142.07764	1.1
143.08533	4.9
144.09360	1.0
145.06445	0.8
145.10106	9.9
147.08038	2.0
147.11671	6.9
149.09625	5.5
149.13263	2.0
151.07510	0.9
151.11172	0.9
153.09081	1.3
155.08591	2.0
156.05432	0.6
156.09326	1.1
157.10132	6.1
159.07985	1.6
159.11671	8.4
161.09613	4.5
161.13239	5.0
163.07489	0.8
163.11171	2.1
163.14818	2.9
167.10600	0.7
169.10130	2.7
171.11716	4.5
173.09625	1.0
173.13286	9.3
175.07611	0.8
175.11180	2.0
175.14813	8.4
177.12836	0.7
177.16310	1.7
183.11719	2.4
185.13226	5.3
187.11183	1.4
187.14809	5.2
189.05376	0.6
189.12801	2.1
189.16377	9.3
191.14401	1.5
191.17946	1.0
193.10196	0.6
193.12213	1.1
195.11731	1.8
197.13254	2.3
199.11275	1.2
199.14778	4.2
201.12767	2.6
201.16394	2.5
203.14360	2.5
203.17990	1.0
205.15906	1.6
207.13838	0.8
209.13237	1.2
211.14886	1.8
211.70174	0.7
213.12796	2.4
213.16472	1.4
215.14290	1.9
217.15871	6.8
221.09554	0.7
221.15248	0.7
227.17912	1.2
229.15868	1.0
229.19521	0.8
231.06584	0.7
231.13873	2.5
233.15463	1.3
235.16972	2.0
239.18076	0.8
241.19548	0.8
247.16972	0.7
249.14920	2.2
253.19695	1.3
257.19131	1.1
267.15909	2.7
267.21124	0.6
269.19064	0.7
271.20563	1.7
281.19208	0.7
299.06097	0.8
299.20419	0.8
301.54688	0.7
305.25000	1.2
350.03918	0.6
373.28906	0.8
383.25986	0.7
391.30121	1.2
403.30145	1.1
419.29517	0.7
421.31311	3.9
431.28918	1.0
437.30637	2.0
439.32114	3.5
449.30643	3.7
457.32938	5.1
467.31714	7.5
485.33038	3.9
503.33679	100.0
504.08463	1.1
504.33875	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	503.3363
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.51115	1.5
54.03845	1.3
55.05503	2.8
61.82490	1.2
67.05480	4.1
68.17651	1.5
69.07066	2.6
70.14262	2.9
70.14663	5.3
79.05486	3.4
80.33296	1.4
81.07056	10.0
91.05490	3.3
93.07036	6.1
95.08588	8.9
95.11635	1.4
105.07041	7.2
107.08571	9.3
109.06518	4.3
109.10175	3.0
119.08589	16.5
121.10152	5.8
127.66920	1.4
131.08549	3.1
133.06544	1.8
133.10123	8.9
135.08017	3.5
135.11697	2.6
143.08534	1.7
145.10135	6.4
147.11676	5.2
147.37099	1.3
147.54559	1.4
148.46077	1.2
149.13210	3.6
156.09450	1.8
157.10120	4.2
159.11713	6.4
161.13239	1.8
163.14853	3.3
169.10159	2.6
171.11699	4.1
173.13280	3.9
175.14825	15.5
177.16339	3.5
183.11687	2.8
185.13225	3.7
187.14905	7.5
197.13217	1.9
199.14781	2.0
201.16415	6.0
203.14308	17.8
205.15889	6.1
207.11864	1.3
209.13208	1.8
213.16257	2.4
217.15945	2.3
221.15585	2.2
247.17007	3.5
249.14821	4.9
253.19624	2.4
387.25232	1.5
403.29990	2.5
421.30899	4.4
439.32101	12.5
449.30469	4.9
457.33127	100.0
458.33484	4.5
467.31555	6.9
485.32288	2.6
503.33630	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	503.3367
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.05506	3.0
57.03430	1.0
57.07093	0.9
67.05504	10.8
67.83070	0.8
69.03428	1.5
69.07058	4.9
70.77094	2.5
79.05487	7.1
81.03432	1.0
81.07053	16.0
83.04950	1.3
83.08611	2.1
91.05470	5.1
93.07041	10.9
95.04966	1.4
95.08607	15.0
97.02956	0.9
97.06483	0.9
105.07030	10.0
107.04941	1.4
107.08583	16.0
109.06524	3.1
109.10153	7.9
111.08080	1.5
117.07006	2.5
119.08571	12.0
121.06481	1.5
121.10128	11.7
123.04442	1.0
123.08049	2.1
123.11687	1.6
125.09585	1.0
129.06992	2.2
131.08568	5.8
133.10115	9.6
135.08028	2.7
135.11697	4.1
137.09645	1.9
137.13229	1.2
143.08559	4.7
145.10110	12.4
147.08096	1.8
147.11714	6.4
149.09575	2.3
149.13251	12.0
155.08499	2.2
156.09364	1.7
157.10138	6.1
158.10863	0.9
159.08032	1.6
159.11691	9.0
161.09555	1.7
161.13269	3.9
163.11156	3.7
163.14825	14.5
165.28497	0.8
167.08559	1.2
169.10153	2.7
170.10878	1.4
171.11652	7.1
173.09631	1.9
173.13257	6.5
173.94781	0.8
175.14789	3.8
177.12796	1.2
177.16382	9.0
181.10110	1.0
182.10945	1.0
183.11723	3.3
185.13200	5.4
187.11160	1.1
187.14813	11.8
189.12744	1.0
189.16428	1.6
189.64059	1.0
191.14322	2.1
195.11642	1.7
197.13249	3.1
199.14822	4.2
201.12730	1.7
201.16342	4.1
203.14343	3.8
203.17955	1.2
205.15877	23.6
209.13374	1.0
211.14874	2.3
213.16412	0.9
215.14287	2.1
215.17870	1.2
217.15826	1.2
223.14841	1.0
225.16345	0.9
227.17862	1.2
231.13803	1.4
241.19385	1.8
245.15247	0.8
247.17065	1.2
253.19504	4.8
255.21021	0.9
271.16672	1.0
275.19955	2.9
289.17908	2.0
335.05487	3.2
335.27335	1.0
391.29535	1.1
403.29752	2.1
421.30972	8.3
439.32034	13.3
457.33102	100.0
458.33423	3.6
463.40152	0.9
485.32370	2.9
503.34064	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	503.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01855	1.0
55.05505	6.4
57.03430	1.5
57.07101	1.1
59.04976	0.7
59.34242	0.7
65.03934	1.3
67.05499	11.1
69.03431	1.4
69.07071	7.5
71.04976	1.5
79.05490	10.2
79.55494	0.7
81.03406	4.4
81.07051	17.1
83.04971	2.1
83.08614	3.4
83.28869	0.9
85.02893	1.6
85.06558	1.2
91.05449	8.8
93.07049	13.4
95.04984	5.2
95.08601	17.1
97.06532	2.1
97.10178	1.5
98.21622	1.5
105.07035	13.6
107.04955	1.7
107.08588	18.5
109.06509	3.3
109.10151	10.9
111.08080	2.4
117.07005	3.5
119.08582	16.8
121.06494	1.9
121.10136	13.6
123.04413	2.0
123.08066	2.7
123.11707	2.2
125.09621	1.4
129.07033	3.8
131.04944	1.3
131.08582	8.6
133.06540	0.9
133.10120	10.3
135.08020	3.8
135.11664	6.7
137.05954	1.6
137.09622	1.5
137.13412	0.8
139.07611	0.7
141.06966	1.3
142.07712	1.0
143.08546	6.6
145.10103	13.3
147.08017	1.2
147.11681	8.3
149.09566	2.6
149.13232	11.8
151.11258	1.7
155.08562	2.9
156.09308	1.4
157.10112	9.1
159.08049	1.6
159.11707	12.1
161.09601	3.2
161.13223	5.2
161.78679	0.9
163.07513	1.2
163.11134	4.6
163.14824	12.5
165.09122	1.0
165.12773	1.0
167.05467	1.3
167.08624	1.0
169.10152	3.6
170.10924	1.4
171.11676	6.9
173.09621	1.2
173.13239	8.1
175.11189	2.1
175.14830	4.4
177.12782	1.6
177.16386	8.4
179.08501	1.0
181.05029	0.9
181.10078	1.6
181.12219	1.3
183.11688	3.9
185.13263	6.4
187.11223	2.7
187.14801	13.8
189.12779	2.2
189.16377	4.4
191.10652	1.8
191.14314	1.4
195.11780	1.8
195.13776	0.9
197.13272	4.3
199.14798	4.8
201.12711	0.9
201.16330	4.4
203.14342	3.5
203.17952	1.5
205.15869	25.0
209.13301	2.0
211.14803	2.9
213.12726	2.2
213.16414	3.6
215.14372	1.7
215.18025	1.3
217.15958	2.5
219.13741	1.6
221.13449	1.0
221.69188	0.9
225.16341	1.5
227.17879	1.3
229.15994	1.7
231.13852	1.4
233.15303	1.0
235.13306	3.0
235.16849	1.0
237.16376	1.7
238.44757	0.8
239.17896	1.2
241.15855	1.1
241.19467	1.2
245.15213	0.9
247.16931	1.3
253.19612	4.3
255.20929	1.0
259.16858	1.5
275.20163	2.3
279.15884	0.8
283.03308	0.8
299.06229	1.9
307.19061	1.2
335.27359	1.1
345.25888	0.9
363.26724	1.2
391.29980	1.6
393.24026	1.0
395.29636	0.9
403.30029	3.7
409.31302	1.0
411.24850	0.9
421.30960	6.1
439.32068	14.3
449.30283	1.5
457.33115	100.0
458.33340	4.3
467.31201	2.4
485.29080	3.0
485.32974	1.9
503.07449	1.2
503.21075	1.9
503.30035	4.5
503.33347	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	503.3365
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05505	9.3
59.81786	1.9
64.89012	1.8
65.03943	2.2
67.05499	31.4
68.19763	1.7
69.07049	12.5
70.70918	2.1
70.71257	5.5
71.05011	2.4
76.89317	1.7
79.05489	12.1
81.07056	39.1
83.08630	8.6
91.05475	14.4
93.07038	21.1
95.04962	3.9
95.08609	27.5
97.06544	3.1
97.10152	3.2
99.59781	2.1
105.07023	39.4
107.04968	2.5
107.08594	38.4
107.82655	2.1
109.06528	8.4
109.10155	25.6
111.08125	2.5
117.07033	8.4
119.08574	51.8
119.09367	3.2
121.06605	2.7
121.10141	21.9
123.08103	4.2
123.11717	3.6
124.89641	2.2
126.81924	1.8
129.07014	2.5
131.08565	12.7
133.10130	32.3
135.08089	5.4
135.11702	10.1
137.09644	5.3
139.07506	2.2
143.08600	3.5
145.10098	17.1
147.07988	3.0
147.11676	15.5
149.09642	7.2
149.13277	8.3
153.09138	3.2
157.10158	6.9
159.11731	7.3
161.09602	2.5
161.13316	6.4
163.11215	4.0
163.14812	10.5
165.12810	2.3
169.10222	3.1
171.11760	4.5
173.11867	4.3
173.13313	8.2
175.14824	96.7
177.16377	48.2
181.04984	2.0
183.11678	4.7
185.13297	6.2
187.11198	2.3
187.14830	11.8
189.16432	4.9
191.14294	2.6
191.17961	2.3
193.15819	10.6
197.13261	3.1
199.14879	4.7
201.16428	6.5
203.14305	79.3
205.15837	12.3
207.17543	3.2
213.16408	2.3
217.15979	2.6
221.15343	26.4
223.15009	2.4
223.16994	6.8
231.17445	3.9
233.15462	4.2
235.16951	4.4
239.18030	2.6
245.15485	2.7
247.16965	4.0
249.14836	40.5
249.17159	3.0
257.19162	2.7
275.19983	11.7
411.32574	20.7
421.30936	7.3
439.32138	39.5
449.30588	2.6
457.33109	100.0
458.33401	3.3
467.31613	8.8
485.32797	13.5
503.33466	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	503.3365
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01864	2.3
55.05512	7.5
57.03429	1.9
65.03948	1.1
67.05503	14.0
69.03412	2.5
69.07061	7.7
70.11816	5.1
71.04971	1.7
75.57664	1.0
79.05492	10.8
81.03409	3.2
81.07055	26.0
83.04976	3.1
83.08614	4.5
85.02917	2.0
85.06535	2.2
91.05443	10.6
93.07042	17.4
95.04960	5.8
95.08603	24.1
97.06528	3.6
97.10157	2.4
98.21470	1.3
99.04443	1.4
99.08122	1.3
105.04514	1.1
105.07027	22.1
107.04939	4.2
107.08588	23.1
109.02844	1.3
109.06510	8.7
109.10143	14.7
111.08095	2.5
113.09689	1.4
117.07049	5.4
119.08580	32.3
121.06512	3.4
121.10145	14.7
123.08047	3.6
123.11697	3.4
125.05990	2.5
125.09606	1.9
127.11127	1.4
129.06953	4.0
129.23756	1.1
131.04953	2.0
131.08578	11.4
133.06422	2.8
133.10132	17.0
135.08046	6.1
135.11708	7.9
137.05948	1.4
137.09598	2.4
137.13251	2.2
141.06946	1.4
142.07771	1.4
143.08536	7.1
144.09296	1.1
145.06445	1.3
145.10138	15.8
147.08006	3.1
147.11687	10.4
149.09608	3.1
149.13239	6.7
151.11200	1.8
155.08531	2.9
156.09349	2.1
157.10124	10.2
159.08046	2.5
159.11668	13.7
161.09621	5.0
161.13271	6.8
163.11176	6.0
163.14830	6.0
165.09019	1.5
167.05579	1.3
167.08482	2.2
169.10124	4.9
170.10893	2.2
171.11700	8.0
173.09592	2.2
173.11880	1.8
173.13235	8.6
175.07549	1.2
175.11182	2.7
175.14795	23.4
177.09148	1.5
177.12801	2.2
177.16371	8.8
181.10132	1.1
181.12253	2.1
183.11653	3.9
185.13264	8.8
187.11192	3.1
187.14796	11.0
189.12747	2.1
189.16341	4.4
191.10727	1.2
191.14334	1.4
191.17902	1.1
192.29681	1.1
193.15840	2.1
195.11646	1.3
197.13261	4.8
199.11136	1.5
199.14766	3.6
201.12695	2.3
201.16382	8.5
203.14304	30.4
203.17915	3.1
205.15923	10.1
209.13249	2.5
211.14809	3.0
213.12785	1.3
213.16394	3.4
215.14388	2.0
215.17896	2.4
217.15898	2.6
219.13864	1.4
219.17241	1.7
221.15292	5.5
221.18935	2.5
223.14786	2.8
223.16780	1.3
225.16418	1.6
227.14351	1.7
227.17981	1.5
229.15933	2.0
233.15309	2.9
235.16869	2.3
239.18007	1.6
245.15321	1.3
247.16978	1.7
249.14806	5.0
251.16292	1.5
253.15790	1.0
253.19504	2.6
255.21143	2.4
257.19000	1.9
275.20056	4.1
282.52298	1.1
297.21857	1.5
299.06143	3.6
299.19772	1.3
315.19669	1.9
323.25854	1.1
335.05396	1.6
341.21002	2.9
381.27975	1.1
387.25662	1.2
391.29654	1.5
400.87213	1.3
403.29971	3.0
411.32571	2.5
419.29184	1.5
421.31177	8.8
431.29059	2.2
437.30887	1.8
439.32068	13.3
449.30801	5.4
457.33124	100.0
458.33401	4.5
467.31866	6.1
485.33160	6.4
503.07413	3.6
503.19940	2.0
503.33841	15.7
504.08408	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	503.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01861	0.6
55.05506	1.8
57.03432	0.4
57.07053	0.2
59.04999	0.3
63.02332	0.2
63.66318	0.2
65.03927	0.8
67.05501	6.6
69.03424	0.3
69.07063	1.4
71.04977	0.5
71.21499	0.4
74.62463	0.2
74.91995	0.2
77.03895	0.2
79.05489	2.2
80.02603	0.3
81.03403	0.6
81.07054	3.4
83.05003	0.3
83.08596	0.7
85.06528	0.2
91.05478	3.4
93.03410	0.2
93.07031	2.1
93.65405	0.2
94.04147	0.3
95.01315	0.5
95.04968	1.7
95.08599	2.1
97.06514	0.9
97.10166	0.5
99.04458	0.2
103.05448	0.5
105.07019	2.8
107.04935	0.7
107.08584	1.7
109.06504	0.6
109.10152	3.6
111.04423	0.6
111.08087	0.3
114.40108	0.2
117.06983	1.1
119.07780	0.3
119.08569	2.1
121.02835	0.4
121.06458	0.3
121.10151	0.9
123.04415	0.3
123.08051	0.3
123.11717	0.3
125.06001	1.0
125.09589	0.4
129.06973	0.4
131.04927	0.4
131.08525	1.6
133.10135	1.7
135.04402	0.2
135.08003	0.3
135.11684	0.6
137.09595	0.3
138.03105	2.0
141.05434	0.3
141.06982	0.2
143.08591	1.3
145.10127	1.8
147.11726	1.0
149.09624	0.5
149.13248	0.4
151.03873	0.7
151.82402	0.2
153.05452	0.5
155.07048	0.4
155.08495	0.2
157.10091	0.7
159.08011	0.2
159.11696	1.2
161.13237	0.5
163.11203	0.4
166.02618	1.7
167.03352	0.3
167.05627	0.3
167.07018	1.1
167.08371	0.3
169.10172	0.5
171.11650	0.5
173.11725	0.8
173.13237	0.6
175.14798	0.3
179.03386	0.5
179.14311	0.5
181.04941	100.0
182.05235	1.0
183.11732	0.3
184.03639	2.3
185.13232	0.2
187.14760	0.4
193.04958	1.0
193.12195	0.2
197.13220	0.3
199.14796	0.4
201.16396	0.3
205.52921	0.2
207.11942	0.2
209.08070	0.4
211.06007	0.3
229.19586	0.3
257.18790	0.9
259.20596	0.3
275.20071	2.7
283.09494	0.4
285.11139	0.8
297.11078	0.5
299.05997	0.3
307.20596	0.2
320.49933	0.2
321.22104	0.4
399.21982	0.4
485.26718	0.7
485.32675	0.6
503.27588	1.9
503.33762	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	503.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01861	0.6
55.05506	1.8
57.03432	0.4
57.07053	0.2
59.04999	0.3
63.02332	0.2
63.66318	0.2
65.03927	0.8
67.05501	6.6
69.03424	0.3
69.07063	1.4
71.04977	0.5
71.21499	0.4
74.62463	0.2
74.91995	0.2
77.03895	0.2
79.05489	2.2
80.02603	0.3
81.03403	0.6
81.07054	3.4
83.05003	0.3
83.08596	0.7
85.06528	0.2
91.05478	3.4
93.03410	0.2
93.07031	2.1
93.65405	0.2
94.04147	0.3
95.01315	0.5
95.04968	1.7
95.08599	2.1
97.06514	0.9
97.10166	0.5
99.04458	0.2
103.05448	0.5
105.07019	2.8
107.04935	0.7
107.08584	1.7
109.06504	0.6
109.10152	3.6
111.04423	0.6
111.08087	0.3
114.40108	0.2
117.06983	1.1
119.07780	0.3
119.08569	2.1
121.02835	0.4
121.06458	0.3
121.10151	0.9
123.04415	0.3
123.08051	0.3
123.11717	0.3
125.06001	1.0
125.09589	0.4
129.06973	0.4
131.04927	0.4
131.08525	1.6
133.10135	1.7
135.04402	0.2
135.08003	0.3
135.11684	0.6
137.09595	0.3
138.03105	2.0
141.05434	0.3
141.06982	0.2
143.08591	1.3
145.10127	1.8
147.11726	1.0
149.09624	0.5
149.13248	0.4
151.03873	0.7
151.82402	0.2
153.05452	0.5
155.07048	0.4
155.08495	0.2
157.10091	0.7
159.08011	0.2
159.11696	1.2
161.13237	0.5
163.11203	0.4
166.02618	1.7
167.03352	0.3
167.05627	0.3
167.07018	1.1
167.08371	0.3
169.10172	0.5
171.11650	0.5
173.11725	0.8
173.13237	0.6
175.14798	0.3
179.03386	0.5
179.14311	0.5
181.04941	100.0
182.05235	1.0
183.11732	0.3
184.03639	2.3
185.13232	0.2
187.14760	0.4
193.04958	1.0
193.12195	0.2
197.13220	0.3
199.14796	0.4
201.16396	0.3
205.52921	0.2
207.11942	0.2
209.08070	0.4
211.06007	0.3
229.19586	0.3
257.18790	0.9
259.20596	0.3
275.20071	2.7
283.09494	0.4
285.11139	0.8
297.11078	0.5
299.05997	0.3
307.20596	0.2
320.49933	0.2
321.22104	0.4
399.21982	0.4
485.26718	0.7
485.32675	0.6
503.27588	1.9
503.33762	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	503.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88395	0.6
53.03930	1.6
55.01873	3.0
55.05272	0.7
55.05502	7.8
57.03439	0.9
57.07059	1.4
59.04991	1.1
59.48390	0.6
65.03933	1.7
67.05499	30.2
69.03405	1.3
69.07056	8.7
71.04969	1.3
71.52787	1.2
79.05486	11.9
81.03399	2.7
81.07047	15.6
81.84661	0.5
83.04961	1.4
83.08613	4.4
85.06539	1.1
91.05462	13.5
93.07033	10.6
95.04958	4.5
95.08589	9.3
97.06516	2.7
97.10154	1.9
103.05418	2.9
105.03383	1.4
105.07023	10.9
107.04945	3.9
107.08575	7.6
109.06487	2.0
109.10152	17.8
111.08059	1.3
117.07007	4.9
119.04926	0.6
119.08572	11.2
121.06469	1.5
121.10134	4.8
123.04326	0.7
123.08094	0.9
123.11681	1.7
125.09634	0.9
128.06183	0.9
129.06958	1.3
130.07819	1.2
131.04915	5.6
131.08560	5.9
133.10092	7.0
135.04410	4.6
135.08032	0.9
135.11674	2.6
137.05890	0.7
137.09579	0.8
141.06914	0.7
142.07759	0.7
143.08553	1.7
145.10124	6.7
147.11691	4.5
149.09615	2.8
149.13216	1.6
155.08597	1.0
157.10104	2.8
159.11681	4.6
161.09543	0.9
161.13239	1.7
162.02693	0.7
163.03893	20.1
163.11118	1.9
165.05515	0.9
166.02527	0.7
167.06984	1.4
169.10112	1.2
171.11659	1.2
173.11703	3.2
173.13251	2.1
175.11116	0.8
175.14804	1.3
177.12794	1.1
179.03424	2.2
179.14290	2.5
180.26479	0.6
181.04944	22.2
181.06551	1.3
181.10005	1.0
183.11635	2.0
185.13220	0.9
187.11124	1.0
189.11142	0.7
189.16321	0.9
192.50467	0.6
193.04945	100.0
194.05363	1.4
195.11737	0.6
197.13173	0.9
199.14781	0.7
201.16383	2.1
203.14195	0.7
205.15739	0.6
206.62500	0.6
207.06454	1.2
211.06006	15.8
211.13252	0.8
217.15944	0.6
219.06409	1.0
219.17442	1.3
227.12903	0.9
229.14326	1.3
229.91609	0.7
239.17816	1.0
255.10034	0.8
257.18921	3.4
275.20038	11.5
281.07977	0.9
283.09558	1.1
285.11127	1.4
297.11191	43.8
298.11481	0.9
367.15268	1.5
399.21597	1.0
411.28934	1.0
485.26776	3.2
485.32672	1.6
503.27368	5.3
503.33957	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	503.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
54.75213	0.8
55.01855	2.5
57.03420	2.8
61.02906	3.7
64.77936	1.0
68.50412	0.7
69.03427	19.9
70.03442	3.9
71.04986	6.2
73.02893	1.8
80.07402	0.8
81.03414	24.1
84.56651	0.9
85.02898	21.6
91.03944	1.0
91.05774	3.7
93.07081	1.0
95.04961	1.6
97.02895	8.3
99.04445	8.1
99.65807	0.9
109.02869	3.6
111.04401	0.9
111.05566	1.8
117.05515	2.1
121.10124	2.3
123.04418	4.1
123.05473	1.0
127.03925	4.9
133.07610	2.7
139.03923	2.5
141.06580	2.5
144.08093	2.7
145.04956	3.7
147.04457	1.4
149.04585	0.8
149.09587	5.4
153.01836	9.8
154.02197	4.5
159.07669	1.7
160.07608	5.5
161.07121	7.6
163.03922	1.0
163.08633	5.3
167.05551	2.2
171.02835	1.7
177.10274	1.1
178.07397	1.0
189.06586	5.6
191.08173	5.4
207.07635	100.0
208.07957	2.0
219.07774	1.0
231.07619	1.0
249.08612	1.8
276.12762	0.8
287.10269	1.2
299.06119	2.8
305.11176	2.1
306.11923	1.0
323.12347	32.6
323.18198	1.6
324.12643	1.3
341.13412	84.5
342.13522	1.6
434.39639	1.0
450.49036	0.9
503.20975	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	502.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	31.5
67.05497	31.1
69.03406	32.3
69.07055	43.7
71.11759	18.0
79.05494	39.8
81.07063	100.0
81.26711	22.1
85.02902	25.4
91.05470	43.0
93.07030	56.7
95.08612	99.0
105.07027	49.7
107.08580	85.9
109.02859	23.0
109.06503	20.6
109.10150	47.4
111.08048	36.5
118.05538	16.9
119.08591	84.0
121.06475	21.5
121.10138	49.1
121.12052	17.5
123.11710	28.2
125.09656	53.1
130.83551	17.3
131.08600	29.1
133.10109	48.1
135.11664	30.2
139.11215	23.9
145.10115	45.2
147.11763	27.3
149.13287	45.7
159.11702	58.0
161.13310	32.9
163.14809	26.7
173.13220	31.1
175.14830	23.3
187.14778	30.9
201.24104	18.3
219.17374	18.8
229.19537	61.5
239.32858	23.7
269.22665	52.6
271.24139	33.1
287.23624	82.5
305.24747	87.2
457.32922	26.6
502.31915	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3213
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
55.01853	0.8
55.05519	2.2
57.03426	0.7
59.05009	0.5
67.05502	3.3
67.26147	0.4
69.03418	1.8
69.07072	3.5
69.21453	3.3
69.21863	1.1
71.04992	1.0
74.30237	0.4
76.00636	0.4
76.76166	0.4
79.05497	2.3
81.03410	1.5
81.07060	7.3
83.08621	0.7
85.02881	0.4
85.06516	0.7
91.05466	3.2
93.07044	5.3
95.04974	1.7
95.08614	5.4
97.02896	0.6
97.06515	1.1
97.10165	1.8
98.21487	0.7
105.07031	8.8
107.04961	0.8
107.08584	5.2
109.02895	0.8
109.06561	2.0
109.10165	3.8
111.08073	1.1
117.07015	1.9
119.08571	7.8
121.02808	0.4
121.06505	0.7
121.10129	4.2
123.08067	0.9
123.11716	1.2
125.09671	1.0
127.03911	1.4
127.07500	0.5
128.06232	1.0
129.06992	1.7
131.08577	3.4
133.06482	0.8
133.10138	4.9
134.18323	0.5
135.08063	1.4
135.11691	2.3
137.05969	0.8
137.09636	0.9
139.07599	0.4
139.11150	0.7
141.07069	0.4
142.07797	0.9
143.08597	3.4
144.09317	0.5
145.06520	0.7
145.10132	6.3
146.33757	0.5
147.08047	1.0
147.11688	2.6
149.09579	1.1
149.13272	1.6
151.11212	1.1
153.01851	0.6
153.12755	0.6
155.08549	1.7
155.10728	0.4
156.09340	2.7
157.06586	0.4
157.10115	2.7
159.08028	0.8
159.11684	7.9
161.09572	2.2
161.13228	2.5
163.11166	1.3
163.14801	1.3
165.09116	0.5
169.10146	1.2
171.08014	0.9
171.11665	6.4
173.09561	0.8
173.13264	3.4
175.07564	0.4
175.11163	1.2
175.14795	4.9
177.12759	3.4
177.16354	1.0
179.10695	0.6
183.11728	1.5
185.09627	1.2
185.13264	1.8
187.07625	0.6
187.11246	0.9
187.14818	2.0
189.12698	2.0
189.16377	2.5
191.14334	0.5
191.17746	0.5
193.10208	0.8
195.11761	0.8
197.13249	1.4
199.11147	2.4
199.14812	0.7
201.12691	1.0
201.16467	1.2
203.14386	1.1
207.11749	0.9
209.13341	0.9
211.11118	2.2
211.14844	1.0
213.12839	1.1
213.16418	1.0
215.14365	1.3
217.15823	0.7
219.13858	0.7
223.14911	0.5
225.12823	0.6
227.14308	0.5
229.12285	1.3
229.15799	0.7
231.13802	0.7
231.17419	1.4
235.16780	0.4
245.15466	0.7
249.14725	0.7
251.17792	0.6
267.21246	0.5
272.06769	0.5
297.11404	0.5
303.23224	1.9
321.24271	1.4
331.23846	0.5
361.25192	0.8
375.05096	1.0
401.28568	0.7
406.70761	0.4
419.29562	2.3
435.29294	0.5
437.30597	3.8
447.28903	0.9
455.31516	1.9
465.30084	1.9
483.31094	11.4
501.32120	100.0
502.32733	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	500.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
54.35103	3.0
55.01867	4.6
55.05503	31.1
57.03431	27.2
57.07060	4.5
58.52012	3.4
58.59874	3.2
67.05177	6.2
67.05499	57.7
69.03429	8.6
69.07059	22.5
69.77680	3.4
71.01363	3.3
71.04987	9.6
71.51311	4.3
79.05492	60.0
81.03415	77.3
81.07053	44.2
83.04964	25.2
83.08611	20.3
85.02892	20.0
85.06551	5.4
87.06992	3.6
91.05471	49.5
93.07035	67.9
95.04955	29.2
95.08601	21.1
97.02930	3.6
97.06525	12.7
97.10168	14.4
105.07022	34.5
107.04950	13.8
107.08588	38.6
109.06480	4.8
109.10178	8.1
111.08064	9.6
115.05458	4.8
117.07014	8.0
119.08582	32.2
121.10134	13.5
125.09641	4.6
129.07010	15.5
131.08543	16.5
133.10146	18.7
135.11684	47.8
141.06915	3.3
142.07767	6.9
145.10150	11.5
146.44211	3.5
147.08043	4.9
147.11691	13.7
149.09639	8.6
149.87248	3.2
157.10109	12.6
163.11189	5.6
165.12781	4.4
175.11206	13.2
175.14780	4.0
181.12253	11.2
193.12238	52.5
211.13298	75.2
222.12173	3.4
237.68297	3.6
255.15877	100.0
267.15982	29.3
285.16977	37.1
402.28131	3.6
447.27310	35.7
450.37500	4.0
465.28415	68.7
483.31030	7.0
500.30432	4.8
501.32114	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	501.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13341	5.8
55.05506	14.1
57.03430	7.4
67.05501	28.1
69.03423	21.6
69.07065	18.5
70.06628	7.9
71.04982	16.2
71.51563	12.4
79.05493	21.6
81.03418	17.5
81.07065	51.7
83.04980	13.2
85.02912	22.5
85.06533	7.2
91.05471	29.3
93.07041	41.4
95.04987	21.7
95.08601	32.0
96.45797	5.7
97.02901	13.2
97.06529	17.5
99.04465	5.7
104.10764	13.4
105.07011	15.0
107.04951	10.3
107.08602	28.1
109.02879	14.8
109.06509	12.5
109.10143	14.9
110.06033	6.5
115.04057	6.9
119.04945	6.6
119.08580	12.6
121.10134	100.0
123.08088	11.1
123.11697	37.8
125.05952	9.7
125.09675	9.7
127.03905	15.1
131.08565	6.8
133.06505	8.2
133.10097	13.7
137.05978	21.4
139.11208	24.6
145.02968	9.0
145.10135	11.3
147.04381	16.4
147.11697	7.7
149.09634	19.6
153.01917	6.5
158.80632	6.1
159.11720	7.7
161.06090	12.7
163.03914	15.2
163.11160	8.7
167.07133	8.8
167.10681	48.2
175.03949	11.9
177.05476	27.9
179.07043	14.3
181.05057	7.5
184.07359	13.7
185.11765	27.8
189.12695	10.8
195.06511	9.9
207.06551	15.0
245.08055	11.4
263.09094	7.6
279.06699	8.1
293.60135	5.7
451.22592	8.9
483.24536	10.7
501.17307	23.5
501.23062	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	7.9
64.43810	7.6
67.05492	20.4
67.98347	7.4
69.03428	15.5
69.07056	14.9
70.06577	34.0
70.79523	12.3
70.79847	10.2
71.04982	25.4
77.68224	7.0
79.05486	8.4
81.03396	15.4
81.07050	53.1
82.44109	6.7
83.04945	13.4
84.67219	8.4
85.02884	30.6
85.06515	7.5
91.05478	12.1
93.07036	17.9
95.04955	12.9
95.08598	18.6
97.02895	14.2
97.06525	13.4
99.04432	15.9
100.04818	7.4
105.07021	9.7
107.08585	15.8
109.02850	10.4
109.10145	7.9
112.07591	16.9
117.03347	14.9
119.04932	12.4
121.10144	100.0
123.11691	39.7
125.09570	7.0
127.03926	18.3
133.11447	6.7
137.05949	8.7
137.07999	10.5
139.03888	10.9
139.11159	29.5
140.07089	17.1
143.10730	7.9
145.02855	19.9
147.04440	14.2
149.09570	10.8
160.07553	12.0
163.03946	15.8
167.10635	66.9
168.10168	8.5
175.03893	13.0
177.05524	42.9
185.11745	49.0
186.11266	18.3
202.08595	8.7
207.06508	24.4
269.64746	6.8
275.09598	9.1
295.05930	15.2
320.05844	8.5
329.15839	11.5
500.28799	34.7
501.19897	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	500.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16807	4.8
55.05501	13.3
59.04988	10.2
66.32932	5.1
67.05501	14.2
69.03403	10.7
69.07052	7.9
69.69857	32.7
70.06585	10.7
71.04980	16.5
79.05502	10.1
81.03427	9.2
81.07056	42.1
83.04963	24.4
85.02895	23.7
85.04332	5.3
91.05461	9.4
93.07025	15.6
95.04969	11.7
95.08604	24.7
97.02886	12.3
97.06551	5.3
101.06028	9.7
104.67998	4.4
105.07029	13.4
107.04916	5.4
107.08578	9.8
109.02851	10.2
111.04411	12.7
114.17789	4.6
121.10136	100.0
123.08061	6.2
123.11713	37.6
125.05988	13.7
127.03922	9.3
139.03906	14.1
139.11174	24.7
143.10693	11.3
145.06490	21.1
147.04416	15.4
149.09642	9.0
153.01801	9.0
157.04926	7.7
160.07513	9.6
162.05522	6.2
163.03889	6.2
163.07529	15.1
167.10667	81.6
170.09608	10.6
171.08057	9.6
177.05508	9.6
185.11734	68.5
188.10686	8.7
252.27144	5.4
301.08942	6.1
329.15866	8.2
447.36148	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01866	6.0
55.05511	32.5
57.03437	32.1
57.07075	6.2
61.02926	63.3
67.05502	91.5
69.03422	35.4
69.07071	37.4
71.01331	7.8
71.04980	8.1
71.08636	6.4
72.70013	2.5
73.02914	28.9
79.05484	29.3
81.03412	28.0
81.07051	99.7
81.91518	2.7
83.04974	8.8
83.08611	21.5
83.28877	2.3
85.02899	53.2
85.06562	4.2
87.04448	3.4
90.81212	2.8
91.03955	38.3
91.05460	28.9
93.07049	39.7
95.04950	10.9
95.08600	74.9
97.02892	51.3
97.06514	6.2
97.10181	13.2
99.04443	15.7
99.08078	4.3
101.02367	15.4
103.03932	8.3
105.07017	24.2
107.04962	3.2
107.08580	25.1
109.02860	9.7
109.06531	6.2
109.10157	36.6
111.08067	3.9
111.11701	4.2
113.09575	3.2
115.03910	4.4
117.06985	6.3
119.08588	20.8
121.06431	3.4
121.10138	20.8
123.11703	13.0
127.03873	19.3
129.05486	3.0
129.07002	4.5
131.08549	11.5
133.10117	18.2
135.11670	16.8
137.13235	6.1
143.08488	3.3
145.04947	9.5
145.10098	7.4
147.11697	11.8
149.13251	9.7
151.11147	3.7
151.14839	5.3
157.10100	5.9
159.06523	4.9
159.11694	4.1
161.13264	11.1
163.11165	3.0
163.14812	6.2
165.12766	3.7
171.11714	3.4
173.02205	2.8
173.09616	3.6
173.13284	3.0
175.14839	9.8
177.16331	3.4
183.06483	6.0
189.16304	5.6
194.86079	2.4
201.07623	4.1
201.16479	2.8
216.50743	2.7
245.22664	12.2
263.23676	22.4
293.25308	3.2
329.01099	3.0
337.27368	100.0
337.77939	3.3
365.26831	3.5
371.25827	6.0
445.29401	3.4
463.30359	3.4
481.31683	5.8
499.32779	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98649	3.3
57.03434	3.6
59.04998	4.2
60.95464	4.1
67.05499	4.8
69.03423	11.3
69.07041	4.7
69.83602	12.8
69.84006	7.5
70.06596	3.4
71.04993	9.2
71.85534	3.4
79.05475	12.7
81.03416	3.8
81.06671	3.6
81.07063	37.8
85.02875	9.6
93.07025	8.4
95.04948	12.4
95.08590	13.3
97.02883	5.8
97.06532	9.7
98.20834	4.4
99.04499	3.7
105.06975	6.4
107.08583	4.8
109.02906	4.7
115.86205	3.8
121.10135	100.0
122.10435	5.0
123.11703	22.6
125.05966	15.1
127.03929	5.2
137.05971	7.0
139.11163	23.6
143.10663	8.0
144.08047	12.1
149.09610	14.3
150.05576	4.8
153.01761	4.4
167.06898	4.1
167.10675	71.6
176.56084	3.4
185.11734	32.7
274.60269	3.5
295.06076	12.9
301.11960	7.0
319.12579	8.3
329.15897	8.8
337.13226	9.3
470.66617	3.5
499.17722	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	499.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01853	4.9
55.05495	7.8
57.03428	6.5
57.07078	3.9
58.47513	3.3
59.04995	61.2
60.21104	3.8
67.05508	42.8
69.03419	30.1
69.07072	31.2
69.79642	22.7
70.06583	6.5
71.04977	5.6
79.05499	23.8
79.65338	3.6
81.03407	17.7
81.07060	36.3
83.04971	8.1
85.02913	19.2
85.06543	9.7
91.05470	31.1
93.07040	38.7
95.04950	23.0
95.08598	76.7
97.02872	11.6
97.06513	30.8
97.10168	5.5
98.20812	4.1
99.04449	8.1
99.08080	4.5
99.15324	3.6
103.05468	6.3
105.01102	3.8
105.07001	27.0
107.04958	9.6
107.08573	20.5
109.02874	63.7
109.06512	10.5
109.10152	87.6
111.04440	6.9
111.08105	8.4
115.05400	4.5
118.09035	4.5
119.04940	11.7
119.08589	41.7
121.06534	9.8
121.10130	57.8
123.04451	7.0
123.07204	7.9
123.08064	100.0
123.11713	10.3
125.05968	13.6
125.09638	12.3
127.03907	12.5
129.06976	7.8
131.04933	4.4
131.08545	8.2
133.06572	4.9
133.10136	11.6
135.07982	4.6
135.11703	6.2
137.05972	28.8
137.09625	48.6
139.03893	6.2
139.11157	11.0
141.09094	24.7
143.08569	7.0
145.10110	9.2
147.04376	21.7
147.08054	13.6
147.11702	10.6
149.06007	8.8
151.07567	15.3
151.11258	6.7
159.11693	6.0
161.05983	23.2
163.03876	15.9
165.05469	23.5
165.09106	36.2
167.07002	5.6
167.10669	4.4
173.13293	6.1
175.03918	14.8
175.07469	4.8
177.05489	8.2
179.07039	20.3
183.10158	61.2
185.13191	4.3
189.05568	5.0
191.07121	6.1
195.06581	5.8
203.07002	15.1
207.06528	24.5
217.08553	6.1
221.08113	7.9
224.41281	4.2
227.07086	5.3
233.08119	8.3
245.08031	19.5
263.09164	18.1
285.13327	10.5
295.05905	7.7
301.21664	9.1
304.10312	3.8
319.06030	7.0
319.22610	6.8
337.07144	4.0
337.24365	4.6
429.41626	4.1
463.26996	4.0
481.28238	5.3
499.21365	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	499.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62431	1.8
71.50534	2.7
93.42601	1.5
97.02915	1.8
101.00871	12.4
103.02427	5.0
105.95334	1.6
109.15515	1.4
113.00882	3.3
119.01919	29.4
121.03459	1.7
127.02393	8.4
130.41130	1.7
131.01912	19.5
137.02959	3.3
139.02412	2.2
143.01883	24.8
145.03465	46.0
147.01363	4.0
149.02988	1.8
155.01895	27.0
155.38599	1.5
157.03467	19.4
158.03554	1.8
161.02954	29.4
163.04518	7.9
167.01888	12.1
169.03468	2.9
171.01349	9.5
171.05046	3.2
173.02968	56.2
175.04515	4.6
179.01869	2.2
181.03453	2.4
185.02959	48.1
187.04555	7.1
189.02385	8.6
197.02951	20.8
199.00813	7.7
199.04530	3.8
203.03999	15.3
208.04550	2.2
209.02998	4.9
215.04012	11.5
217.01927	57.5
217.04028	2.8
217.67879	1.6
221.05048	4.1
227.03983	12.5
229.01852	8.7
235.02989	19.8
239.03960	2.7
245.05064	100.0
247.02924	12.2
247.06805	2.2
253.04216	2.6
257.05026	12.9
263.06055	12.6
265.03998	2.0
275.06146	12.1
277.04019	18.2
293.07150	4.8
301.03934	10.0
305.07242	7.8
307.08609	2.1
319.05161	24.8
335.08170	4.4
337.06152	28.0
337.09998	3.1
365.09335	8.4
499.14059	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09715	2.2
55.01854	3.7
57.03429	2.8
61.02911	3.5
69.03426	13.6
70.54716	6.2
71.04998	2.4
73.02917	2.4
81.03421	3.7
85.02897	19.3
97.02897	10.1
98.21360	2.1
98.97566	3.5
99.04436	2.9
101.00866	7.7
103.02431	4.2
104.12976	2.0
109.02923	2.7
111.88531	2.0
113.00882	4.2
115.02444	3.0
119.01915	30.4
119.03217	2.0
121.03439	3.0
121.89423	2.1
127.02429	7.1
127.03899	7.2
131.01901	15.4
133.03426	5.2
135.03268	2.0
135.93834	2.2
137.03001	3.1
143.01852	18.7
145.03465	43.0
145.04726	3.0
145.96101	1.9
147.05011	6.8
149.02962	4.0
155.01895	21.9
157.03482	15.1
159.03130	2.4
159.04910	3.5
160.04887	2.3
160.07521	2.7
161.02942	30.2
163.02791	4.0
163.04475	4.2
167.01950	6.0
169.03481	4.8
171.01372	7.1
171.05029	10.2
173.02969	49.0
175.03046	2.4
175.04529	8.2
179.01849	2.8
181.03548	3.8
183.04973	4.2
184.07390	2.8
185.02953	40.9
187.04506	8.0
187.06200	2.2
189.02466	7.4
189.06184	2.4
191.04027	2.7
193.01942	2.5
197.02979	15.7
199.04523	6.2
201.02486	2.5
203.03964	17.1
203.07593	3.8
205.07364	2.5
209.02841	3.2
215.04056	12.3
217.01929	43.3
217.05365	2.6
219.01753	3.5
219.07202	2.4
221.05058	12.6
227.03978	9.4
229.01855	10.7
229.05566	3.3
231.03072	3.6
235.02953	20.2
237.02866	5.1
239.04041	4.2
245.05080	100.0
246.04988	3.2
247.02934	11.7
249.08182	2.1
257.05112	11.1
258.04599	3.2
259.02435	6.5
259.06610	6.4
261.05826	3.7
263.06119	13.9
265.04022	4.3
270.38748	2.4
275.06168	13.4
277.03842	23.9
291.09167	5.1
293.07224	5.1
301.04120	10.0
303.01321	13.9
305.07153	9.0
305.10513	3.1
309.10434	3.8
319.05038	22.8
319.08673	4.7
321.10223	10.0
322.10437	4.2
325.08017	3.7
328.05283	4.9
335.08228	6.2
337.06186	21.7
337.09839	3.2
351.11295	6.3
353.11319	3.4
365.09152	8.3
488.94843	2.4
499.12900	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05514	2.3
57.03439	5.7
58.06601	28.9
59.04994	0.6
59.07383	9.4
60.08163	8.2
61.28635	0.3
63.02648	0.4
67.05505	6.2
69.07069	2.2
71.03259	0.8
73.02886	1.1
75.04121	0.3
75.04476	3.6
78.06294	0.3
79.05467	1.7
80.71532	0.3
81.07060	4.7
83.04963	0.5
83.08595	1.0
84.08129	0.4
85.02895	1.7
87.04474	4.9
91.05456	0.8
93.05474	0.4
93.07070	1.7
95.08607	3.2
97.06511	0.5
100.11236	0.5
102.05521	0.5
103.03922	0.4
105.05495	0.8
105.06991	1.1
106.82165	0.4
107.08572	0.8
109.10128	1.4
113.05996	0.4
119.08561	0.7
123.11671	0.7
131.07072	1.9
131.67108	0.3
133.10132	0.7
144.10193	7.5
147.11676	0.3
159.11659	0.4
162.11249	4.4
200.12785	0.7
218.13890	0.8
236.14926	100.0
237.15294	1.1
245.15549	0.4
269.17276	0.6
300.31732	0.3
317.93796	0.4
480.36832	23.5
481.37329	0.5
498.37897	75.2
499.38300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63831	2.9
55.05503	2.8
59.05001	31.8
60.87399	2.7
64.78233	3.1
67.05492	11.3
69.03429	7.4
69.07059	7.3
69.78690	4.8
69.79108	13.5
71.04991	2.9
75.07940	3.5
79.05478	5.0
81.07058	6.6
81.76168	2.7
83.04993	6.5
85.02885	5.8
91.05502	3.9
95.04977	6.3
95.08605	29.0
97.06533	13.4
98.20837	3.8
101.06018	10.9
105.07000	5.1
109.02866	34.6
109.10156	33.8
117.85575	3.0
119.08527	14.0
121.10125	20.0
122.43876	2.9
123.08047	51.3
123.11713	3.4
124.41397	2.9
125.05938	4.3
137.09622	25.2
139.11154	4.6
140.13672	2.7
141.09052	14.8
142.82210	3.1
147.08040	5.5
153.01823	3.1
160.96892	2.8
161.71284	3.1
165.09094	33.9
183.10153	100.0
187.13428	3.1
201.11272	8.1
239.32448	2.8
253.36586	3.1
290.07718	4.1
318.11215	10.4
319.11581	12.8
320.04794	7.8
322.05267	10.8
327.14468	4.0
345.15353	14.6
368.60565	3.2
469.39233	3.1
498.16898	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	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26178	1.7
59.04716	2.7
59.04996	30.3
60.36727	2.0
61.02922	1.8
62.21171	1.8
66.10143	1.9
66.61292	1.6
67.05489	10.3
69.03420	6.7
69.07063	5.7
69.71932	12.4
70.06577	2.3
79.05489	5.2
81.07047	7.2
85.02883	3.7
91.05442	2.4
93.07034	7.6
95.04947	4.9
95.08607	30.3
97.02847	2.3
97.06533	10.8
98.20991	4.9
99.04429	2.7
105.07018	5.8
107.04944	2.9
107.08578	2.3
109.02880	27.2
109.10151	28.5
111.08111	2.0
119.08561	11.6
121.10142	21.3
123.07228	2.7
123.08067	45.1
125.05953	5.5
129.10608	1.8
134.06042	2.2
134.62283	1.8
137.09610	26.2
139.11209	9.1
141.09109	12.3
143.08658	1.9
147.08012	3.6
149.09442	1.9
152.07059	3.2
153.01785	3.6
165.09116	34.5
167.07083	2.3
169.12146	2.3
170.08105	2.4
183.10161	100.0
183.68185	1.9
187.13251	2.3
201.11185	8.3
281.06635	2.2
319.17560	2.9
327.14227	6.2
345.15475	16.5
352.91046	2.1
472.05295	1.8
479.69495	2.4
480.23087	1.9
498.22858	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	498.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49070	2.4
56.58240	2.0
57.03433	21.6
59.04980	4.8
67.05506	6.5
69.03425	72.6
69.07066	19.7
70.06573	2.7
70.80983	2.1
71.04957	3.3
71.11816	5.1
71.97076	2.3
73.02910	7.9
75.04496	2.6
81.03410	5.9
81.07052	21.4
83.08632	2.4
85.02898	51.9
87.04459	43.2
91.05447	3.7
93.84949	2.3
95.04967	5.3
95.08585	5.8
97.02888	72.0
97.06482	3.0
99.04463	4.0
107.08580	6.4
109.02908	2.8
109.10143	13.6
115.03925	70.3
119.04964	4.3
119.08628	2.6
121.10198	3.0
123.04407	3.6
123.11701	100.0
123.12602	4.9
127.03925	7.7
133.04958	61.6
137.02261	2.8
137.05975	3.7
138.77139	2.2
140.07010	2.6
141.50848	2.2
141.71080	2.7
145.04948	6.9
147.04375	2.7
151.11174	36.0
169.12250	26.5
175.03911	8.3
181.22864	2.3
204.12285	2.6
207.06470	10.9
219.13802	4.0
241.07019	2.7
247.13263	6.7
265.14566	4.1
283.15359	13.0
303.04959	19.9
304.05441	3.0
313.16394	5.5
377.01938	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54828	0.2
53.03929	0.2
55.01849	0.4
58.83548	0.2
60.66407	0.2
62.58084	0.2
62.72392	0.2
67.05473	0.9
69.03420	1.1
69.07039	0.8
71.08598	0.3
71.51016	0.3
71.51390	0.3
73.38920	0.2
79.05464	0.9
79.37764	0.2
79.78139	0.2
81.03383	0.7
81.07056	1.3
83.04960	0.4
83.08611	0.3
85.02874	0.8
87.43945	0.2
91.05451	0.7
91.72334	0.2
93.03380	0.3
93.07048	1.3
94.06532	0.3
95.04935	1.0
95.08572	1.0
96.04440	0.3
96.08918	0.3
97.02873	0.4
97.06491	0.4
97.10135	0.3
99.08073	0.5
105.07018	0.6
107.04979	0.3
107.08572	0.4
108.04472	2.5
109.02824	0.3
109.06454	0.4
109.10119	0.9
110.10473	0.4
111.04375	0.2
117.83614	0.2
119.04917	0.4
119.08564	0.6
120.04413	0.4
121.06448	0.3
121.10102	0.9
122.06019	0.9
123.04367	0.3
123.08002	0.3
123.11687	0.4
124.07641	1.1
124.08337	0.4
125.09608	0.3
127.03896	0.3
131.04907	0.3
133.10106	0.4
135.04428	0.2
137.05978	1.1
137.08549	0.3
137.09592	0.4
138.05481	0.9
138.09094	0.4
139.03897	0.7
139.11124	0.4
140.07071	1.5
145.10124	0.3
146.05994	2.0
147.04344	0.5
147.08134	0.2
147.09373	0.3
147.11707	0.4
148.03798	0.4
148.07523	0.8
149.09612	0.5
150.05487	0.7
156.10210	0.3
161.13353	0.3
163.03862	0.4
163.07487	0.5
166.05009	0.7
167.03363	0.3
167.10707	0.3
168.06570	4.1
169.10088	0.6
169.15800	0.2
172.03864	0.3
174.05545	1.3
175.03860	0.6
176.04138	0.3
177.05453	0.5
191.05884	0.2
196.11284	0.3
197.12828	0.4
199.08630	0.4
204.06525	1.0
206.08174	2.0
207.06476	0.8
208.06798	0.4
210.07800	0.2
211.08638	4.4
211.12259	0.8
212.09361	1.0
213.10146	0.9
221.10681	0.9
222.09149	1.6
223.08603	0.7
224.07254	0.3
224.11008	1.4
225.10233	4.2
226.10895	0.5
227.08214	0.3
237.10080	0.4
238.10960	0.4
239.08134	0.6
239.09311	0.4
239.11801	7.5
240.08972	0.8
240.12444	0.5
241.09747	1.7
241.13432	0.6
242.10425	0.4
249.10153	1.1
250.08659	1.3
251.08092	1.2
252.08569	1.7
253.09752	4.8
254.10400	0.8
255.11237	0.4
256.11984	0.3
257.12903	0.4
267.11270	11.2
268.11896	0.6
269.12946	1.3
272.11121	0.3
278.08136	0.4
280.08453	0.4
281.09192	0.9
283.10721	0.5
284.11557	0.6
285.12204	1.1
295.05637	0.3
295.10776	5.2
296.08984	0.4
297.12292	1.2
298.10376	0.3
299.10223	0.6
301.11771	0.5
313.11810	38.1
314.12207	1.1
317.06293	0.8
317.17285	0.2
318.06931	0.6
319.22397	0.3
323.10257	1.4
324.10904	0.4
341.11319	8.6
343.08066	0.3
344.08298	0.5
346.06372	0.7
355.12897	2.3
356.13547	0.5
359.12308	1.3
367.03763	0.3
373.13931	100.0
374.14343	2.7
438.08780	0.4
440.74252	0.2
448.18915	0.7
466.19925	2.3
480.10852	0.3
480.21255	0.7
498.10745	1.4
498.22137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12033	0.3
55.01878	0.7
55.05494	0.5
57.03438	0.3
67.05495	1.3
69.03416	1.1
69.07063	1.2
70.83508	1.0
79.05479	1.0
81.03413	0.8
81.07041	1.4
82.07420	0.5
83.04961	0.4
85.02895	0.9
85.06557	0.4
87.11940	0.4
91.05468	1.0
93.07040	1.7
95.04958	0.9
95.08593	1.2
97.06529	0.7
99.08086	0.5
105.07028	1.1
107.04969	0.5
107.08575	1.3
108.04475	2.9
109.06505	0.4
109.10148	1.2
109.58505	0.4
111.04430	0.4
111.08046	0.5
119.08553	0.5
121.10131	1.4
122.06033	0.8
123.04508	0.5
123.08069	0.4
123.11658	0.5
124.07584	1.3
125.09647	0.5
127.03957	0.5
131.08586	0.7
133.06532	0.4
133.10052	0.8
135.08015	0.7
137.05980	1.1
138.05469	0.7
138.09137	0.5
139.03934	0.8
140.07037	1.8
146.06050	2.0
147.04402	0.9
148.03827	0.4
148.07547	0.9
149.09595	0.8
150.05504	1.1
153.01822	0.5
159.11728	0.6
161.09598	0.5
163.03918	0.4
166.04955	0.7
168.06563	3.8
169.10074	0.5
169.15883	0.7
172.03937	0.4
174.05495	1.1
176.04259	0.4
177.05566	0.3
194.09703	0.5
197.10747	0.5
197.12788	0.9
204.06587	0.9
206.08141	2.4
207.06523	0.5
208.07021	0.4
211.08647	4.5
211.12254	0.9
212.09406	1.5
213.10289	0.9
221.10760	1.3
222.09200	1.1
222.11397	0.4
223.08643	0.5
223.12285	0.4
224.10780	1.1
225.10184	4.0
226.08902	0.3
226.10945	1.2
227.08109	0.7
238.10831	0.4
239.08141	0.8
239.09247	0.4
239.11768	7.5
240.08836	0.9
240.12469	0.7
241.09718	1.4
241.13326	1.1
242.10274	0.4
243.11197	0.4
247.07866	0.4
249.10280	0.6
250.08583	1.1
251.08118	1.7
251.37210	0.3
252.08908	1.2
253.09671	5.2
254.10518	0.8
255.11195	0.5
257.12897	0.8
267.11292	11.1
268.11841	0.5
269.09464	0.6
269.12805	1.5
269.17484	1.0
274.51175	0.3
281.09241	0.6
283.10678	0.4
284.11465	0.5
285.12323	1.5
295.10791	5.4
296.08878	0.4
297.12302	1.2
298.10672	0.5
299.10345	0.5
313.11801	40.1
314.12164	1.7
318.06891	0.9
323.10104	1.7
341.11292	9.4
342.12027	0.6
344.08395	0.8
345.06012	0.5
345.14273	0.4
346.06302	0.7
355.12866	2.4
359.12292	0.9
373.13919	100.0
374.14310	3.4
466.19772	2.0
480.21490	0.7
498.11511	0.9
498.22174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83577	0.3
53.03936	0.3
55.01867	0.6
57.07071	0.3
65.03964	0.4
65.51561	0.3
67.05484	1.0
69.03410	0.4
69.07058	0.8
71.04971	0.4
79.05460	0.5
81.03452	0.3
81.07045	1.7
83.04950	0.4
85.02876	0.4
91.05453	0.8
93.07048	1.6
94.07320	0.4
95.04942	1.2
95.08585	1.2
96.04484	0.5
97.02890	0.5
97.10163	0.5
101.34312	0.3
105.07034	0.8
107.08590	1.0
108.04488	2.6
109.10123	0.4
119.08569	0.7
121.10112	0.5
121.65738	0.3
122.05997	0.6
122.10481	0.4
123.04481	0.6
123.11693	0.6
124.07601	0.5
127.03869	0.4
135.08168	0.5
137.05952	0.6
138.05440	0.5
140.07033	0.8
145.08093	0.4
145.10124	0.5
146.06003	1.1
148.07620	0.9
150.05428	0.5
159.11562	0.4
163.03906	0.7
166.04999	0.6
168.06557	4.2
169.10104	1.3
174.05505	0.6
175.03885	0.4
179.31381	0.4
187.16933	0.6
191.03284	0.6
198.09261	0.4
203.21715	0.3
204.06532	0.4
206.08078	1.2
207.06558	0.4
211.08656	3.7
211.12289	1.0
212.09404	1.0
213.10208	0.7
221.10689	0.5
222.09126	1.5
223.08469	0.8
223.12408	0.4
224.10730	1.4
225.10197	4.8
226.08640	0.4
226.10904	0.8
227.08252	0.5
227.11894	0.4
232.03632	0.3
238.11015	0.6
239.08154	0.6
239.11789	7.9
240.12373	0.7
241.09752	1.4
241.13245	0.7
249.10237	1.0
250.08588	1.1
251.08189	0.7
252.08614	2.0
253.09731	5.5
255.11156	0.6
256.12134	0.4
257.12869	0.6
266.10568	0.3
267.11288	11.6
268.12204	0.6
269.09003	0.3
269.12772	1.3
277.09567	0.4
278.08188	0.4
280.08197	0.5
281.09131	0.5
284.11481	0.6
285.12314	1.6
295.10736	5.4
297.12329	0.9
301.89624	0.4
313.11804	39.4
314.12228	1.1
318.06818	0.5
323.10370	0.7
341.11261	4.6
355.12921	1.8
359.12585	0.7
373.13925	100.0
374.14215	2.0
466.19208	0.6
498.11197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.9
53.98834	2.2
55.01857	6.3
55.05511	25.7
57.03437	31.1
57.07071	2.4
60.51751	2.3
61.02924	82.7
65.03909	2.8
65.92328	3.0
67.05505	91.8
69.03425	43.8
69.07063	18.8
70.13671	12.8
71.01337	7.3
71.04976	11.4
73.02907	35.2
73.86781	2.8
79.05488	58.8
81.03407	28.4
81.07053	100.0
83.04979	6.3
83.08602	9.2
85.02903	72.4
87.04460	4.0
91.03955	51.6
91.05470	41.2
93.07041	67.2
95.04956	8.8
95.08601	78.5
97.02892	62.3
97.06512	8.5
98.20834	2.9
99.04427	10.5
99.08098	3.1
101.02366	17.8
101.23495	2.6
102.45115	3.1
103.03913	11.2
105.07030	27.7
107.08586	33.3
109.02853	10.6
109.06517	6.5
109.10146	36.0
111.08060	2.8
111.32155	2.5
115.03967	6.1
115.99578	2.8
117.07001	11.5
119.08588	27.1
119.83374	3.0
121.10143	26.3
123.11691	13.9
127.03911	34.6
129.05466	7.8
129.07002	4.9
131.08562	18.2
133.10138	18.0
135.11702	25.0
137.13213	4.2
145.04951	14.9
145.10081	15.2
147.11713	12.3
149.13231	14.9
151.14728	4.6
157.10120	3.1
159.11697	13.7
161.13219	12.2
163.14758	6.3
169.10094	3.4
171.11638	3.7
173.13234	13.9
175.14876	5.8
183.06487	4.3
185.13249	3.1
185.29022	2.7
187.14830	3.3
197.13315	2.8
199.14774	3.4
201.07562	5.8
201.16516	3.5
219.13670	3.3
243.20993	8.6
259.20499	4.5
261.22110	29.5
284.30878	2.9
333.24423	3.5
335.25806	90.9
363.25085	3.8
443.28055	4.2
479.30038	3.8
497.31424	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	498.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89286	0.3
66.08549	0.3
67.05481	0.4
69.03426	0.4
69.07052	1.0
71.04974	0.6
71.06779	0.7
79.05494	0.7
81.03421	0.4
81.07040	1.2
85.02854	0.4
91.05479	0.9
91.06055	0.3
93.07034	1.2
95.04950	0.8
95.08591	0.8
97.06506	0.6
105.07034	0.6
105.13201	0.4
107.04901	0.4
107.08582	0.8
108.04455	2.0
109.10133	0.9
111.04425	0.4
117.06992	0.4
119.08555	0.6
121.10127	0.8
122.06007	0.8
123.04449	0.5
124.07577	0.7
125.09628	0.4
133.10193	0.6
137.05948	0.8
138.05466	0.8
140.07054	1.0
143.08665	0.3
146.06012	1.2
148.07547	0.9
149.09613	0.3
150.05562	0.4
165.09134	0.5
166.04994	0.4
167.10777	0.4
168.06554	3.2
169.10135	1.1
169.15860	0.5
174.05489	1.1
175.03969	0.4
177.05470	0.4
196.11299	0.5
204.06572	0.6
206.08128	1.2
210.07732	0.4
211.08626	4.2
211.12230	0.8
212.09453	1.2
213.10214	1.3
221.10710	0.9
222.09149	1.5
222.11220	0.5
223.08752	0.6
223.12276	0.4
224.11082	1.6
225.10204	5.1
226.10869	0.6
239.11781	8.3
240.12505	0.6
241.09657	1.2
249.10239	0.9
250.08546	1.2
251.08134	1.1
251.11864	0.5
252.08778	1.0
252.10539	0.5
253.09702	5.3
254.10547	0.5
255.11201	0.4
257.12756	0.7
267.11273	11.8
267.14114	0.7
267.69037	0.4
268.12051	0.5
269.12875	1.0
277.09683	0.3
280.08524	0.4
281.09048	0.7
284.11661	0.5
285.12396	1.0
295.10767	5.4
313.11801	41.0
314.12170	0.8
315.13599	0.4
323.10092	0.6
327.13547	0.5
341.11316	4.3
355.12878	1.3
359.12482	0.5
373.13928	100.0
374.14264	3.2
392.56805	0.4
444.19421	0.4
466.19644	0.6
498.10928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01860	8.7
55.05505	25.9
57.03435	30.5
57.07067	10.0
57.08919	2.6
61.02925	52.8
65.03948	4.1
67.05502	82.3
68.66136	2.4
69.03429	42.1
69.07069	26.9
69.25119	6.7
69.25523	24.0
71.01343	4.8
71.04982	11.0
71.08617	3.1
73.02923	30.1
79.05025	3.4
79.05489	67.4
81.03414	30.1
81.07053	100.0
83.04962	6.7
83.08624	12.9
85.02902	59.9
85.06530	3.1
86.89457	2.3
88.06556	2.6
91.03419	4.6
91.03951	32.8
91.05480	52.1
93.07037	67.4
95.04961	14.9
95.08612	76.3
97.02884	40.9
97.06530	8.1
97.10163	7.7
98.20803	4.9
99.04452	6.2
99.08070	3.9
101.02394	5.7
103.03987	6.0
105.07015	47.2
107.04955	7.8
107.08591	46.9
109.02866	11.0
109.06526	6.0
109.10159	29.6
111.04451	6.0
111.08076	9.2
113.09628	3.8
115.05491	3.1
117.05502	2.8
117.07021	22.7
119.08582	42.0
121.06506	8.7
121.10151	27.2
123.04438	3.9
123.08047	8.9
123.11710	13.8
127.03919	11.6
128.06190	4.5
129.05449	7.1
129.06992	14.1
131.08545	37.6
133.06490	5.9
133.10107	28.0
135.08017	7.1
135.11668	18.7
137.09602	6.2
137.13255	4.8
139.11200	2.9
141.06947	6.1
142.07693	2.8
143.08557	11.0
145.04962	6.4
145.06444	7.6
145.10124	23.1
147.08026	7.8
147.11676	24.2
149.09619	8.6
149.13246	17.6
151.11215	5.1
151.14851	3.7
155.08553	6.4
157.10164	13.3
159.08026	5.2
159.11690	14.9
161.09618	5.9
161.13280	17.7
163.11197	5.6
163.14836	7.2
165.09134	4.6
165.87074	2.5
167.10791	2.8
169.10104	5.8
171.08098	3.5
171.11678	8.5
173.09558	4.3
173.13268	15.3
175.11153	4.0
175.14838	7.2
177.12807	4.3
177.16338	4.4
181.10086	3.9
183.11685	6.0
185.13298	9.3
187.11201	5.0
187.14838	10.2
189.12683	4.1
189.16415	3.3
191.14377	4.9
193.10115	2.4
193.12291	3.8
195.11777	3.2
197.13258	4.5
199.14771	6.6
201.16359	4.6
205.16008	2.9
207.11777	3.5
209.13293	3.6
211.14972	3.9
213.12759	5.3
213.16324	3.0
217.15927	4.7
243.21111	13.4
255.21017	2.7
257.22617	3.5
259.20575	5.2
261.22116	25.3
273.22290	3.3
277.21530	2.9
279.23215	6.2
301.21564	3.7
303.22977	14.8
309.21927	3.7
315.23233	8.9
317.24704	8.0
327.23099	6.6
335.25836	35.9
341.24670	5.5
345.24155	4.5
347.25974	4.9
351.23053	4.6
359.25659	5.4
363.25418	4.1
365.26663	5.6
369.24167	15.9
377.26855	9.1
387.25299	8.5
389.26920	4.2
405.26321	5.7
419.27945	8.4
419.90021	2.9
425.26810	4.4
431.27853	10.1
443.27927	35.4
461.29190	18.2
479.30072	18.8
497.31085	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	497.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01867	2.8
55.05502	2.8
58.15858	2.8
59.05000	53.1
61.02928	2.5
67.05505	20.2
69.03432	16.1
69.07069	43.2
71.04990	5.1
71.41737	4.0
71.42091	4.0
73.02863	2.6
75.66395	3.1
79.05494	14.1
79.64676	2.7
81.03423	6.2
81.07059	12.4
84.08142	2.4
85.02920	14.9
90.93479	2.4
91.05497	5.3
93.07028	9.2
95.04964	10.0
95.08608	44.4
97.02900	7.2
97.06528	21.9
99.04455	5.0
99.38216	2.9
105.06992	6.8
107.04951	6.8
107.08571	3.5
109.02885	39.5
109.09472	5.0
109.10151	52.1
109.83961	2.6
117.05474	3.1
119.08575	18.0
120.62067	2.5
121.06520	3.3
121.10143	35.6
122.06007	4.3
123.04426	4.0
123.08062	79.4
123.11680	5.1
124.07532	3.8
125.06026	5.9
125.09648	3.4
127.03892	4.8
136.07593	3.2
137.05971	4.0
137.09621	35.3
138.05486	4.3
139.11171	9.6
141.09064	20.7
144.08060	3.0
145.04961	2.9
147.04419	3.3
147.08005	9.8
150.05484	38.5
162.06422	2.7
165.09109	48.4
166.04991	9.5
167.07005	6.1
172.11182	4.0
175.03990	2.8
177.05525	3.1
181.08630	5.6
183.10170	100.0
190.12242	4.3
200.10582	3.4
201.11217	11.2
202.12273	3.7
204.28207	2.6
207.06502	2.6
211.09610	3.3
218.11763	11.1
221.94971	2.8
228.10118	4.8
232.03918	2.9
243.11354	3.0
246.11232	6.8
269.04642	2.9
271.10815	5.5
287.10254	20.7
289.11804	5.2
299.10339	6.8
312.19748	2.6
317.11267	36.9
321.04959	7.4
335.08191	7.1
335.12344	59.2
345.15454	13.4
497.17432	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	497.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01861	0.5
57.03441	0.6
60.57045	0.5
61.02923	1.9
65.03941	0.9
67.05505	3.1
69.03431	4.2
69.07067	61.1
69.83886	2.0
69.84299	0.8
70.07416	0.6
71.04996	0.5
73.02925	0.6
78.03478	0.5
79.05489	1.4
80.05010	0.8
81.03406	1.7
81.07063	3.8
85.02905	8.6
89.06216	0.5
91.05501	1.0
92.05002	1.0
93.05806	0.5
93.07058	1.7
94.06565	2.6
95.04951	1.2
95.08618	0.9
97.02879	3.8
97.06528	9.1
98.20856	0.8
105.07010	0.7
107.08616	0.6
108.04477	1.3
109.02894	1.2
109.06538	1.2
109.10194	1.0
119.03644	0.6
119.08602	1.0
121.05239	1.1
121.06519	0.5
121.10156	1.1
122.06035	5.4
122.10461	0.5
123.04340	0.5
124.07584	2.3
125.06007	1.2
127.03930	1.3
131.08554	0.7
137.06015	3.4
138.05499	4.6
140.07048	5.2
141.07849	0.6
142.08672	0.6
144.08096	1.4
145.04959	0.9
145.08864	2.1
145.10066	0.7
146.09668	3.0
147.06726	0.9
148.03940	1.1
149.09612	0.6
150.05501	64.4
151.05829	0.8
151.11203	0.5
152.03406	0.8
152.07104	0.5
153.05501	1.0
157.08890	1.9
158.09695	0.7
159.10484	0.7
160.07593	0.8
160.11278	0.6
161.08376	3.8
162.09119	3.5
164.03459	0.5
165.04292	0.9
166.05002	18.1
167.07188	0.5
167.10715	0.5
168.06583	1.1
170.09747	0.5
172.07567	1.3
172.11209	3.1
173.08328	2.2
173.09695	0.6
174.09174	1.7
174.12793	5.0
176.03409	5.4
178.05013	2.0
182.04572	1.1
182.09718	0.6
185.08440	1.6
186.05560	0.6
186.07640	0.8
186.09195	0.7
188.10754	1.1
190.08693	0.6
190.12280	4.6
191.03471	0.5
192.02956	1.2
194.04477	2.2
197.10829	0.5
198.09302	0.6
199.06413	0.6
200.07048	0.7
200.10725	6.5
202.08533	0.7
202.12265	6.3
206.11758	0.7
213.10115	0.9
216.10219	3.7
218.08228	1.7
218.11748	20.1
225.10074	0.6
226.08667	1.0
227.11670	0.7
228.10213	13.3
229.13307	0.7
230.11867	0.7
234.11205	2.8
241.09673	0.7
242.10379	0.7
243.11285	1.4
244.09723	1.6
245.12955	1.4
246.11234	17.6
246.13744	0.9
247.11617	0.6
254.08115	0.7
255.11331	0.6
256.09702	1.2
257.09222	1.5
261.12436	1.1
262.10748	0.9
269.09479	0.5
271.07733	0.9
271.10687	4.2
272.09189	2.4
273.12329	2.1
274.10706	2.4
287.10229	7.8
289.11829	7.7
290.10187	1.3
291.13431	0.7
299.10257	5.2
303.05130	1.0
317.11310	28.9
318.09488	1.0
335.12360	100.0
336.12613	2.9
416.93588	0.5
497.10672	0.6
497.17630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51970	1.6
55.05492	2.7
57.03410	2.7
59.04990	11.9
67.05511	10.0
67.58135	1.8
69.03416	7.2
69.07060	7.9
70.06577	2.6
71.04984	8.3
71.35680	2.6
72.08146	2.3
73.02893	2.8
79.05511	9.5
81.03419	3.9
81.06600	3.1
81.07056	39.3
83.04971	2.4
85.02899	4.6
91.05481	6.0
93.07049	14.6
95.04971	10.2
95.08606	15.8
97.02892	3.0
97.06531	10.9
97.10163	2.3
103.03984	1.8
105.07033	10.8
107.04967	3.2
107.08585	4.8
109.02884	8.8
109.06513	3.2
109.10152	9.0
119.08586	6.2
121.06493	3.1
121.10142	100.0
122.10478	2.4
123.04414	2.3
123.08062	12.8
123.11716	24.6
124.07548	2.4
125.06013	11.5
125.09589	1.9
127.03938	4.0
133.26283	1.5
137.05962	2.4
137.09586	6.4
139.03906	2.7
139.11182	21.8
144.29202	1.7
147.04420	1.9
147.08076	3.0
149.09612	22.8
153.01807	8.8
153.09276	2.2
160.07574	4.6
165.09116	6.4
167.10678	84.5
183.10150	15.8
185.11731	22.2
207.06541	3.4
260.20712	1.8
291.83951	1.9
311.14828	3.7
317.06650	1.9
318.06964	2.2
319.07053	2.9
320.07330	5.1
327.14856	1.8
329.15836	6.9
335.04025	7.7
496.22867	2.7
497.16483	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	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	0.5
56.05030	1.4
57.03422	0.7
57.07070	3.6
58.06580	1.4
59.07383	0.3
60.08159	17.4
67.05489	0.7
69.07074	0.6
69.40644	1.7
71.07368	6.5
71.08624	2.1
80.14832	0.2
81.07050	1.0
82.82188	0.2
83.08615	0.5
83.51982	0.2
85.10175	0.9
86.09699	49.0
95.08595	1.1
97.58451	0.2
98.98458	4.3
104.10734	100.0
105.11069	0.5
109.10133	0.7
123.11596	0.2
124.99992	29.5
131.53381	0.2
143.01015	0.3
145.62431	0.3
163.01555	0.7
181.02536	0.4
184.07324	97.0
185.07771	0.5
210.79472	0.2
212.99602	0.2
258.11023	1.4
271.16855	0.3
313.27356	1.8
419.25491	0.5
478.32922	7.5
496.33945	27.7
497.34445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.4
51.02376	0.9
53.03938	3.7
55.05509	23.5
57.03154	0.9
57.03433	15.5
57.07073	0.8
59.04985	2.0
65.03938	3.4
67.05502	39.0
68.05836	0.5
69.03426	6.6
69.07066	10.9
69.33492	4.4
71.01330	0.6
71.04990	9.3
73.02930	0.4
77.03899	0.8
77.39754	0.4
79.05490	39.3
80.05808	0.7
80.32694	0.4
81.03413	93.6
81.07052	47.1
82.03741	0.8
83.04974	19.5
83.08614	34.5
85.02901	50.3
85.06538	3.1
86.17673	0.5
87.04452	0.9
91.05476	53.2
92.05804	0.5
93.07039	29.8
94.07375	0.6
95.04963	42.5
95.08598	18.3
97.02876	4.8
97.06525	6.6
97.10162	5.7
98.21476	0.7
99.04477	0.9
99.08061	2.1
101.06025	0.6
101.85130	0.5
103.05449	1.4
105.04526	0.8
105.07026	40.8
105.91148	0.4
106.07349	0.6
107.04956	8.9
107.08585	13.0
109.06516	7.1
109.10157	5.0
111.04436	5.3
111.08079	16.4
113.05996	4.3
115.05449	2.0
116.06208	0.8
117.06998	3.9
119.04952	1.3
119.08573	29.4
120.08935	0.5
121.06483	2.8
121.10134	15.7
123.08060	4.4
123.11676	4.6
125.05979	1.3
125.09628	3.6
127.07561	0.9
128.06227	1.2
129.06996	16.9
131.08556	15.3
133.06503	4.5
133.10112	14.5
135.08051	1.4
135.11676	1.9
137.05977	1.1
137.09598	3.3
141.06963	0.9
142.07768	5.1
143.08473	0.7
145.10103	3.5
147.04411	0.4
147.08054	5.2
147.11682	20.8
149.09607	10.3
149.13254	0.9
151.07527	1.6
151.11186	1.6
152.07959	0.4
155.08525	0.9
155.84291	0.5
156.09314	0.4
157.10117	18.5
159.08064	0.6
159.11674	0.7
161.09639	1.0
163.11194	1.7
165.09114	0.7
165.12743	4.8
167.10657	0.6
171.11699	0.4
173.09619	0.5
173.13333	0.7
175.11177	23.4
176.11522	0.5
181.10100	0.5
183.13844	0.8
185.13319	0.5
189.11195	0.8
193.12233	86.7
194.12607	2.1
211.13274	100.0
212.13655	2.4
217.12180	0.5
227.12604	0.8
229.14238	0.6
233.15324	0.8
249.14938	0.6
267.15860	6.1
285.16949	3.5
333.06506	0.5
349.21756	0.5
359.22153	0.8
367.22900	1.0
385.23749	1.5
403.24432	0.6
416.15533	0.4
433.25507	0.8
441.55945	0.5
451.27045	0.6
459.27429	2.1
477.28372	4.2
495.29520	70.2
496.30042	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01867	5.6
55.05512	29.0
57.03437	17.1
59.04998	1.3
65.03935	3.6
67.05500	39.0
69.03431	6.9
69.07067	9.1
70.10237	6.3
71.05000	8.1
73.32853	1.4
77.03896	1.3
79.05490	38.4
80.62396	1.2
81.03413	100.0
81.07054	46.4
83.04971	22.6
83.08155	2.6
83.08615	34.1
85.02899	46.2
85.06537	4.6
91.05475	50.5
93.07037	31.8
95.04381	2.3
95.04965	38.9
95.08601	20.2
97.02898	6.0
97.06519	7.8
97.10149	8.2
99.08083	2.5
101.06020	1.4
105.07034	38.2
105.07703	2.8
107.04960	12.1
107.08595	16.3
109.06506	10.3
109.10138	7.1
109.69238	1.1
111.04436	4.5
111.08089	14.8
113.06003	5.9
115.05466	3.7
117.07006	3.5
119.08576	33.7
121.02859	2.2
121.06503	5.6
121.10129	15.1
123.08074	4.7
123.11710	4.0
125.09656	5.1
127.03889	1.3
129.06984	17.1
131.08566	18.0
133.06499	5.1
133.10124	14.4
135.08069	3.6
135.11714	1.7
137.05984	1.9
137.09608	4.0
142.07794	2.7
143.08537	1.3
145.10091	3.8
147.08037	5.8
147.11664	22.3
149.09590	11.5
151.11165	2.1
157.10123	18.2
163.11186	1.5
165.12779	5.5
173.09512	1.4
175.11177	24.0
175.12566	1.9
183.13812	1.4
184.16969	1.6
193.12239	85.1
194.12592	1.8
211.13275	97.1
212.13721	2.4
215.14467	2.0
231.13727	1.8
263.20258	1.3
267.15845	7.1
285.16953	3.1
332.06808	4.3
333.07013	10.0
334.07529	2.2
338.10211	2.1
341.43332	1.2
366.58142	1.6
383.96976	1.3
385.23853	1.9
403.24643	1.3
441.25946	1.5
459.27487	3.1
477.28610	4.5
495.29544	71.1
496.29596	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01623	1.0
55.05510	24.6
57.03434	13.0
59.04996	1.8
61.98522	0.8
65.03916	2.5
67.05504	40.2
69.03424	8.4
69.07069	10.2
70.19321	3.1
71.01392	0.9
71.04987	8.3
79.05491	39.8
81.03416	88.3
81.07053	42.8
81.07540	1.7
83.04970	19.0
83.08617	33.2
85.02378	1.9
85.02901	51.2
85.06538	3.3
91.05476	53.7
93.06488	1.9
93.07041	28.2
95.04964	38.0
95.08605	16.9
97.02889	5.0
97.06515	8.6
97.10188	6.1
99.08087	2.5
103.05492	1.5
105.07029	36.7
107.04945	9.6
107.08591	12.7
109.06511	6.2
109.10155	5.1
111.04431	4.1
111.08075	18.4
113.06024	4.0
115.05474	3.0
117.07027	4.1
119.08573	27.1
121.06511	3.3
121.10142	14.2
123.08074	3.9
123.11707	3.2
125.05954	1.4
125.09625	4.6
127.07574	1.3
128.06180	1.7
129.07004	16.4
131.08562	16.7
133.06509	4.6
133.10127	13.7
133.11078	1.2
135.08116	1.1
135.11655	1.7
137.09622	2.5
141.06989	1.2
142.07773	3.3
145.10124	3.1
147.08073	4.4
147.11693	22.8
149.09618	7.7
151.11130	1.0
157.10124	18.2
157.11334	1.5
159.11627	1.2
163.11151	1.3
165.12766	3.4
171.11765	1.2
173.13307	1.2
175.11183	25.1
189.11255	1.0
193.12238	79.1
194.12593	2.0
211.13284	100.0
212.13680	2.0
227.12987	1.4
260.66071	1.1
267.15903	10.2
285.17047	4.6
344.85635	0.9
359.22049	1.1
385.23813	2.2
459.27377	3.7
477.28558	5.7
495.29526	71.7
496.29916	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	495.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61187	0.6
53.03946	4.2
55.01873	3.5
55.05511	3.9
55.07283	0.7
57.03431	8.6
57.07069	9.4
58.30039	0.7
59.05001	6.3
61.02927	11.7
62.64245	0.7
67.05505	9.5
67.75179	0.6
69.03429	26.6
69.07067	6.1
70.06585	2.8
71.04988	5.8
71.51307	1.1
73.02920	5.0
75.62018	0.6
79.05482	2.3
81.03425	14.5
81.07052	4.9
82.28571	0.7
83.01346	1.1
83.04982	1.2
83.08605	4.0
85.02903	100.0
85.06539	5.8
87.04472	3.6
89.50691	0.6
91.03949	4.6
91.05466	2.6
93.07041	5.9
95.04968	4.6
95.08604	50.0
97.02887	30.1
97.06509	3.4
99.04446	5.9
99.08097	6.9
101.02448	0.8
103.03941	1.3
105.07038	1.4
107.04970	1.4
107.08588	6.3
109.02876	9.4
109.06519	13.1
109.10147	13.2
111.08096	4.8
111.11742	1.7
113.09640	59.8
115.03953	2.3
119.08565	1.1
121.06521	1.3
121.10154	2.9
123.04445	2.2
123.11713	0.8
124.14414	0.6
125.02330	1.5
125.06017	1.3
125.09715	0.7
127.03915	24.1
127.11184	19.2
131.08534	0.9
133.04962	5.5
135.04459	0.7
135.08081	0.9
135.11676	9.5
137.05957	1.5
137.09676	2.3
137.13194	3.8
139.03885	1.5
139.11169	1.0
145.04951	28.2
147.04420	0.8
149.09637	1.3
151.03876	1.6
151.07509	1.3
151.11151	0.9
153.01842	1.7
153.09074	1.0
153.12733	49.0
154.13126	0.7
155.10818	0.7
155.14293	12.8
159.11807	0.8
163.03969	1.0
163.06030	4.8
163.07362	1.2
167.07018	1.1
167.10675	1.1
171.13794	38.9
175.03920	0.9
177.05455	1.0
177.12764	3.2
179.03389	0.7
179.05492	6.1
181.05006	1.4
195.04834	0.7
195.13792	1.9
197.12894	1.1
207.06554	0.9
213.14859	8.7
230.52762	0.7
249.15027	0.8
259.97397	0.7
267.16049	0.9
279.15881	1.7
297.17050	2.6
318.03561	1.1
319.04361	3.3
327.86826	0.8
333.06183	5.2
333.19107	2.7
495.15244	1.6
495.25229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01847	4.8
55.05505	3.0
57.03417	9.5
57.07055	8.7
59.04991	7.6
59.90614	2.4
61.02921	6.3
67.05486	9.5
68.99747	2.0
69.03423	26.6
69.07058	7.6
69.42142	20.0
70.06578	4.5
71.04984	4.9
72.08147	2.1
73.02901	8.4
74.41752	1.9
74.47952	1.9
79.05488	6.3
81.03400	9.6
81.07071	10.5
83.04969	2.4
83.08615	4.2
85.02905	82.1
85.06538	3.6
91.05467	6.5
93.07042	5.0
95.01332	3.7
95.04951	5.7
95.08611	38.7
97.02891	27.7
97.06506	5.2
99.04451	7.1
99.08086	5.2
103.03944	3.2
105.07027	6.6
107.08576	6.9
109.02893	13.7
109.06554	11.1
109.10140	10.0
109.84235	2.3
111.00815	2.8
111.04461	4.6
111.08094	4.5
113.02357	3.3
113.09636	42.8
115.03882	2.4
119.08604	4.9
121.06484	2.8
121.10128	11.4
123.04399	4.7
123.08067	2.7
123.11690	4.9
124.07587	2.6
125.05978	3.2
125.07021	2.0
125.09624	3.3
127.03913	23.6
127.11179	13.2
131.03415	4.4
133.02785	2.9
133.04987	3.4
135.04469	2.3
135.11694	7.1
137.02356	3.2
137.05940	3.1
137.09612	6.4
137.13231	4.1
139.03850	3.7
139.11139	3.0
141.01822	2.4
145.04961	18.7
147.03230	2.2
147.04411	6.3
149.09587	4.6
151.03888	3.3
153.01834	15.3
153.12737	32.9
155.14272	9.8
161.05762	2.7
163.05986	5.2
163.07602	2.3
163.11240	2.3
165.01912	5.2
167.10681	3.4
171.13802	26.3
175.03908	5.7
177.05484	5.1
177.12750	2.5
179.05452	4.1
181.04898	4.0
181.12198	2.8
189.05511	3.2
197.12834	10.2
207.06528	6.3
213.14862	6.3
217.04881	3.6
245.04491	5.1
273.03842	5.2
279.15915	3.6
296.07520	2.7
316.61090	2.3
319.04480	100.0
320.04764	9.9
323.15909	3.3
341.16925	2.9
349.31860	2.6
477.18491	3.0
477.25021	2.4
495.14709	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	495.1131
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
52.91534	0.2
53.03922	0.2
55.01869	0.3
57.03424	0.5
60.15002	0.2
61.02925	6.7
69.03431	1.6
69.83808	1.2
73.02907	1.7
79.01838	0.3
79.05477	0.2
81.03402	0.5
81.07051	0.2
85.02905	5.4
91.03963	3.2
91.05451	0.3
93.03382	0.4
93.07006	0.3
95.01134	0.2
95.04971	0.6
95.08604	0.3
97.02885	2.8
99.04452	0.5
105.07016	0.3
109.02842	1.4
111.05685	0.2
121.10109	0.2
123.04416	0.8
124.01538	0.3
125.02359	3.1
127.03893	1.1
133.02850	0.3
137.02325	0.8
137.05951	0.5
139.03821	1.3
140.04671	0.3
141.05450	0.9
141.56004	0.2
145.04924	0.5
147.04373	0.5
151.03891	2.1
153.01834	4.0
161.06018	0.3
161.09607	0.2
163.03864	0.3
165.01849	1.0
167.03400	8.6
171.04388	0.3
175.07475	0.3
179.03386	3.4
180.04160	0.6
185.04404	0.3
197.04448	1.2
203.07021	0.7
207.02890	0.4
207.06628	0.3
209.04424	0.8
213.05421	0.4
216.04199	0.8
217.04811	0.3
231.06488	3.6
233.59467	0.2
235.02480	0.4
235.05783	0.2
241.05017	0.5
244.03735	0.6
245.04402	0.4
249.07780	0.3
258.05255	0.4
259.05994	5.1
269.04462	0.4
272.03085	0.3
277.07074	0.5
287.05484	4.6
289.03363	0.5
290.04056	1.4
297.15543	0.2
300.48169	0.3
304.05704	1.7
305.06497	0.3
315.04968	1.1
318.03650	1.2
333.06030	100.0
334.06314	2.3
356.85141	0.2
379.88684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.113
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
50.42173	0.3
51.51373	0.3
52.39392	0.3
53.03934	1.0
55.01862	0.5
55.05500	0.8
57.03425	1.1
59.04982	0.4
61.02916	1.5
63.86841	0.3
66.67220	0.3
67.05510	0.7
68.99783	0.3
69.03433	5.0
69.07080	0.4
69.33071	1.5
69.33497	1.4
71.04967	1.0
72.03808	0.3
73.02901	0.7
79.01781	0.4
79.05489	0.7
81.03419	2.7
81.07062	1.7
82.84123	0.3
82.98162	0.3
83.01321	0.4
83.04964	0.9
85.02905	10.9
85.56582	0.3
85.61694	0.3
87.04472	0.6
87.33911	0.3
91.03935	0.8
91.05478	1.4
93.07030	1.5
95.04996	1.5
95.08593	1.3
97.02891	5.0
97.06505	0.4
99.04458	0.6
99.13199	0.3
103.05463	0.6
105.07019	1.4
107.04963	0.6
107.08585	1.8
109.02870	2.3
109.06454	0.3
109.10159	1.0
111.04453	0.6
115.03915	0.3
117.03345	0.5
117.07010	0.4
119.04926	0.6
119.08569	0.9
121.02836	0.3
121.06535	0.6
121.10140	1.5
123.04414	1.0
123.08105	0.5
123.11666	0.4
124.03938	0.6
125.02351	2.8
127.03905	2.3
131.04901	0.4
131.08536	0.6
133.10143	0.5
135.04385	0.5
135.08046	0.7
135.11740	0.6
137.02328	1.4
137.05943	1.7
137.09615	0.6
139.03897	1.0
141.05460	1.4
145.02834	0.7
145.04941	2.1
145.06589	0.3
145.10114	0.8
147.04388	1.7
149.09685	0.4
151.03902	2.9
153.01833	5.1
153.05440	0.8
159.08121	0.4
161.05927	0.4
161.09671	0.3
161.32158	0.3
163.03902	1.1
163.07527	0.6
165.01833	4.2
165.09290	0.5
167.03409	9.3
167.07051	1.0
173.90608	0.3
175.03877	1.1
175.07523	0.6
177.05458	0.7
179.03352	3.2
179.07050	0.4
181.04945	1.0
181.48955	0.3
191.03384	0.3
193.01289	0.4
193.04974	2.2
197.04486	1.6
201.05571	0.6
203.03517	0.4
203.06989	0.8
207.02901	0.8
207.06538	1.2
207.10265	0.3
209.04468	2.3
213.05594	0.4
216.04179	0.7
217.04962	0.9
221.04469	0.7
229.04820	0.4
231.06509	2.9
235.02364	0.5
235.06050	0.8
241.04906	0.5
243.06435	0.4
244.03662	0.4
245.04530	0.7
246.05144	0.4
258.05222	0.6
259.05997	5.9
269.04395	0.7
277.07117	0.8
286.04739	0.8
287.05478	6.4
289.03397	0.9
290.04108	0.9
301.07037	2.2
304.05875	2.1
315.04904	2.1
318.03769	0.7
319.06137	0.7
325.07047	0.6
333.06039	100.0
334.06302	3.2
349.05685	0.5
385.07980	0.3
405.05847	0.4
407.97775	0.3
421.09448	0.7
435.06952	0.6
463.10596	0.7
495.09100	1.7
495.12338	1.2
495.19250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1128
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	1.4
55.05494	1.8
57.03424	1.2
57.07079	0.7
59.04993	1.0
61.02911	1.8
65.03922	0.7
67.05510	3.0
68.99776	0.5
69.03435	4.6
69.07067	4.8
71.01364	0.4
71.04985	1.3
73.02901	0.8
79.05498	3.5
81.03417	3.9
81.07045	6.1
83.04970	1.4
83.08602	0.8
85.02905	6.9
85.06538	1.1
91.03948	1.0
91.05475	5.3
93.07031	5.6
94.07386	0.5
95.04961	2.8
95.08606	4.5
97.02884	3.0
97.06496	1.4
97.10157	1.1
99.04449	0.5
105.07022	3.6
107.04932	1.4
107.08585	4.3
109.02867	2.4
109.06510	2.5
109.10155	3.3
111.04437	1.0
111.08068	0.5
111.11724	0.6
115.03912	0.6
117.07001	1.2
119.04928	2.6
119.08595	2.4
121.02843	1.3
121.06508	2.3
121.10149	6.3
123.00803	0.6
123.04404	2.3
123.08089	2.3
123.11701	2.0
124.03977	0.7
125.02358	0.8
125.05955	1.1
125.09637	1.6
127.03913	2.3
131.04951	0.6
131.08549	2.4
133.10112	2.0
135.04350	0.5
135.08066	1.7
135.11671	1.0
137.02342	11.9
137.03363	0.8
137.05949	2.7
137.09618	1.8
137.13321	0.6
139.03915	0.6
139.11179	1.6
141.09094	0.5
142.07713	0.5
143.08514	0.7
145.02763	0.5
145.04939	0.9
145.06480	0.9
145.10123	2.0
147.04366	2.9
147.08058	0.9
147.11678	1.2
149.02304	0.6
149.09642	2.7
151.03873	1.1
151.07536	0.9
151.11153	0.9
153.01828	1.2
157.10107	0.8
159.08083	0.8
159.11708	1.0
161.05965	0.4
161.09662	0.6
161.13251	0.7
163.03893	1.0
163.07536	0.7
163.11159	1.1
165.09070	2.8
167.03432	2.3
167.07040	1.3
167.10677	1.8
169.01335	1.3
169.10048	0.5
171.04349	1.0
173.09488	0.8
173.13211	0.8
175.03864	2.2
175.15028	0.6
177.05464	1.0
177.09013	0.8
179.03336	0.6
179.07079	0.6
183.02919	0.7
185.05962	0.6
185.11569	0.5
187.11249	0.5
187.14824	0.5
189.16483	0.6
191.03442	0.6
191.10582	0.6
191.14273	0.7
193.12247	0.8
197.13293	0.6
199.03862	1.0
201.12704	0.7
207.06512	4.5
213.05437	1.0
216.04199	0.6
217.04916	0.7
219.13860	1.5
227.03383	1.1
231.06570	0.9
241.04900	0.9
243.06450	0.5
244.03653	1.4
245.04457	1.3
255.02632	0.5
259.05997	1.7
259.15359	0.8
269.04349	0.5
271.06070	0.7
272.03149	1.1
273.03979	2.8
274.04587	0.6
286.09286	0.5
287.05481	6.3
287.20251	0.5
289.03336	1.5
290.04169	1.2
293.17374	0.9
301.00040	0.9
301.03409	16.9
302.04095	1.7
315.04944	1.7
315.19626	0.9
315.23132	1.2
317.03174	2.5
317.06488	2.1
318.03665	13.6
318.07193	1.1
319.07056	1.6
333.06036	100.0
334.06256	2.7
338.10181	0.5
341.06848	0.9
367.22873	0.6
421.05554	1.5
459.26740	0.7
467.86008	0.5
467.92856	0.5
477.10910	0.6
477.28412	1.0
484.88531	0.5
495.08450	0.6
495.26010	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	495.0766
Annotation	Myricetin 3-O-glucuronide
Peak:m/z	Relative Intensity
57.03428	1.1
60.33972	0.5
64.43600	0.5
68.99795	1.9
69.03427	0.8
69.94897	2.1
71.01344	2.1
73.02911	4.2
85.02905	11.5
95.01316	1.0
97.02871	1.5
97.06481	0.5
99.00815	1.0
101.02353	0.7
101.80431	0.5
107.08611	0.7
109.02878	0.8
111.00795	2.9
113.02350	4.4
127.03891	0.8
131.03383	2.8
135.11688	0.7
135.26274	0.5
137.02333	1.8
141.01813	2.3
153.01811	11.8
159.02869	1.5
165.01880	3.8
166.02481	0.8
179.03355	2.1
183.02930	1.2
189.05447	1.2
193.01402	0.6
197.12889	1.5
215.14137	0.6
217.04922	4.1
219.26503	0.5
245.04449	5.2
273.03964	5.1
290.04175	1.1
301.03400	2.0
317.14236	0.7
319.04471	100.0
320.04761	2.0
495.18796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16965	12.7
55.05498	12.6
62.96112	15.9
67.05496	30.8
70.56720	42.4
78.47796	13.0
81.07060	20.9
83.08602	16.3
83.95057	15.4
84.17947	12.3
93.07071	22.0
95.08616	21.9
105.07042	22.6
107.08588	29.5
125.09630	24.7
131.08551	19.5
143.10667	100.0
166.68791	14.0
199.66026	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	495.0761
Annotation	myricetin 5-O-glucuronide
Peak:m/z	Relative Intensity
55.01861	1.1
55.05506	0.6
55.09990	0.2
57.03429	1.2
65.03920	0.3
66.48688	0.2
67.01863	0.3
67.05494	0.6
68.99786	1.0
69.03419	1.1
69.07049	0.3
70.87003	0.9
71.01362	1.8
71.04993	0.6
72.34300	0.3
73.02911	3.6
75.04479	0.2
77.00628	0.5
79.05475	1.0
81.03397	0.5
81.07050	2.2
83.01338	0.3
83.04967	0.3
85.02901	9.9
91.05462	0.5
93.03397	0.4
93.07034	0.9
95.01334	1.6
95.04949	0.6
95.08593	0.7
97.02892	1.2
97.06517	0.6
99.00807	0.8
101.02354	0.5
103.03908	0.6
105.07016	0.8
107.08578	0.4
109.02861	1.0
109.10162	0.3
111.00806	0.6
111.04471	0.4
113.02363	3.3
120.08002	0.3
121.02843	1.0
121.06503	0.4
121.10134	3.7
123.00806	0.6
123.04417	0.6
123.11680	1.0
125.02338	0.8
125.05962	0.7
127.03913	0.4
131.03407	2.7
131.04904	0.3
133.02768	0.4
135.04411	0.4
137.02339	8.7
137.03322	0.4
137.05971	0.6
138.05426	0.3
139.11159	1.0
141.01816	1.9
143.04915	0.4
147.04385	0.9
149.02318	0.4
149.06210	0.9
149.09613	0.6
151.00319	0.3
151.03816	0.3
153.01826	3.8
159.02888	1.5
161.06010	0.7
162.05521	0.7
163.03839	0.4
165.01843	0.5
167.07376	2.4
167.10658	1.9
169.01323	4.7
171.03049	0.4
171.04306	1.2
175.03880	0.6
177.05475	0.6
179.03459	0.5
181.01328	1.2
181.04962	2.0
189.05513	0.9
193.04971	0.3
199.03847	2.0
203.03392	0.8
215.07025	0.5
217.04965	2.3
225.73833	0.3
227.03418	1.1
245.04469	4.7
249.03931	0.5
255.02879	0.7
263.05481	0.6
272.03036	0.3
273.03949	7.4
280.65451	0.3
283.02438	0.5
290.04214	0.6
291.04846	0.5
301.03400	6.8
302.03992	0.4
303.04962	0.8
315.13309	0.6
318.03644	0.3
319.04468	100.0
320.04858	1.4
333.06113	0.5
488.28378	0.4
495.08273	0.5
495.14365	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	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01847	2.6
55.05510	2.2
57.03421	4.5
59.05003	3.2
61.02925	7.5
64.87426	1.0
65.03915	1.6
67.05502	3.3
69.03429	9.7
69.07043	2.0
69.30031	9.3
69.30451	2.7
71.04981	3.5
73.02897	4.7
79.05497	7.2
81.03418	6.9
81.07054	100.0
82.07367	2.0
85.02902	68.8
87.04462	1.8
91.03954	3.8
91.05474	7.1
93.07038	38.9
95.04958	3.1
95.08605	25.7
96.08093	1.4
97.02318	1.5
97.02895	18.6
99.04449	4.3
105.07012	4.6
107.08593	35.8
108.08903	1.2
109.02904	7.6
109.06527	1.4
109.10142	2.6
115.03949	2.3
119.08562	3.4
121.06522	1.4
121.10148	3.3
123.04407	1.6
124.07547	3.5
127.03905	19.2
131.08545	1.9
133.04961	4.8
133.10115	1.9
135.04408	1.6
135.11684	74.2
137.05966	2.7
137.13249	54.9
145.02826	1.9
145.03937	2.2
145.04970	27.0
147.04373	1.7
147.08017	1.5
147.11647	1.4
149.09583	2.1
152.06992	2.1
153.01813	1.5
163.03932	1.4
163.06013	13.6
166.08757	1.5
172.52318	1.3
177.05415	1.6
179.05490	10.4
189.05479	1.4
190.04982	5.2
191.03383	2.0
200.81342	1.2
221.10153	2.4
255.16833	1.3
258.15997	1.4
259.08865	1.2
261.14667	1.7
297.16940	3.0
325.11700	8.6
494.16092	2.8
495.81534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03938	3.1
54.91584	0.5
55.01857	0.4
55.05509	4.2
57.03421	0.8
59.04981	0.5
62.46243	0.6
65.03922	1.2
67.05496	2.8
69.03426	9.0
69.07063	3.8
70.49779	1.2
70.50117	0.4
71.04974	1.3
73.02896	0.7
78.03036	0.8
78.03449	9.6
79.05086	0.5
79.05495	6.0
80.05005	2.1
81.03416	14.8
81.07056	3.6
83.04980	6.4
83.08591	1.3
85.02895	5.1
85.06548	1.1
87.65999	0.4
91.05473	6.7
93.07042	6.0
95.04961	1.2
95.08598	4.8
96.04478	2.9
97.02875	3.8
97.06536	1.4
97.10201	0.5
98.21462	0.5
99.04445	1.9
99.97976	0.4
105.07016	5.7
106.02911	36.9
107.04958	0.9
107.08586	31.6
108.08865	0.6
109.02875	6.9
109.06505	3.2
109.10147	5.2
109.77658	0.4
111.08075	2.5
113.06010	1.9
115.05450	1.2
117.06987	2.0
119.08564	2.8
121.09338	0.8
121.10138	10.3
122.07269	1.9
123.05980	0.5
123.08102	2.2
123.11703	0.7
123.14072	0.4
124.03946	100.0
125.04301	1.5
125.09686	0.6
127.03878	3.7
131.08551	1.6
133.10123	33.1
135.06389	0.4
135.08058	8.7
135.11690	2.3
137.09612	27.9
145.10063	0.8
147.11656	2.5
149.09607	0.7
149.13254	7.0
151.11180	1.3
153.01880	0.7
153.09056	3.4
156.10214	0.5
158.10831	1.1
163.07634	0.5
163.14795	1.8
165.12691	0.6
166.04990	0.7
173.13266	3.2
183.13882	0.9
188.03799	0.7
191.14290	13.3
209.15402	1.3
226.07155	0.7
232.06078	2.4
250.07079	10.9
268.08151	40.2
269.08493	0.9
286.09192	41.1
287.09564	0.8
331.08493	0.5
332.08325	0.7
333.06100	1.5
451.08542	0.5
476.22784	22.0
477.23184	0.8
494.23877	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	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61167	1.1
53.03938	2.8
55.05508	2.2
55.21689	1.0
59.04717	2.1
59.04999	34.7
60.33717	1.0
62.05411	1.1
67.05500	11.0
69.03426	6.7
69.07064	4.4
69.70087	2.3
69.70488	5.3
71.05000	3.2
79.05499	7.6
81.03394	2.7
81.07060	6.4
83.04944	1.2
85.02898	3.3
87.04448	1.6
91.05482	3.4
93.07050	5.5
95.04959	4.8
95.08604	34.4
97.02889	1.3
97.06526	13.8
98.21575	1.5
99.01809	1.1
99.04404	1.3
105.07016	5.5
106.02912	2.3
107.04944	4.2
107.08556	1.9
109.02876	34.5
109.10153	34.6
111.04408	1.9
119.08583	14.8
121.06528	1.3
121.10140	22.7
123.08061	53.5
124.03950	3.4
125.05963	3.8
127.03913	2.3
137.09607	27.4
139.11154	7.1
141.09100	13.6
147.08022	5.2
153.01831	2.7
165.09111	45.1
167.79610	1.1
170.05988	1.3
183.10159	100.0
192.23022	1.2
201.11223	7.8
216.11279	1.5
235.13232	1.8
268.08102	2.1
309.13272	1.3
318.03656	1.5
327.14383	6.3
331.08481	1.2
332.08530	3.7
333.06088	3.6
345.15268	7.1
494.21875	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01871	2.6
55.05508	17.7
57.03433	9.3
57.07073	52.3
63.14565	1.0
65.03928	1.6
67.05502	57.9
69.03418	1.4
69.07067	21.6
69.35492	5.0
69.35912	3.1
71.01333	2.7
71.04993	3.9
71.08630	33.8
73.02917	1.9
73.41303	0.9
79.05489	38.6
81.03412	9.8
81.07055	40.2
83.04993	6.3
83.08612	17.3
83.71110	0.9
85.02911	2.2
85.06534	3.3
85.10181	20.0
87.60475	1.0
90.96822	0.9
91.05479	19.0
93.07038	42.0
95.04955	5.7
95.08604	33.2
97.02900	0.9
97.06529	9.1
97.10170	13.9
98.20810	1.8
99.04420	1.2
99.08093	1.4
99.11750	1.9
105.04479	1.3
105.07040	7.0
107.04939	1.9
107.08588	27.8
109.02883	2.9
109.06516	1.6
109.10154	19.5
111.04420	2.1
111.08099	2.5
111.11740	2.6
117.07009	4.9
119.08575	7.8
121.06479	1.5
121.10128	5.2
123.11689	7.0
125.09600	2.1
125.13241	1.3
129.06960	1.3
133.10114	3.3
135.08051	1.4
135.11685	53.4
137.09573	1.2
137.13242	2.2
145.10098	7.3
151.14793	1.9
153.12740	2.0
163.11169	6.0
167.03368	2.5
181.12250	10.1
193.12239	5.1
199.13356	2.8
205.19685	1.0
211.13359	3.5
239.23714	12.9
249.14906	1.3
267.15964	1.8
288.00995	0.9
493.17108	3.6
493.38867	100.0
494.39081	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	493.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62292	1.0
51.55361	1.1
52.03153	1.1
53.03937	2.2
55.01860	4.6
55.05505	7.2
57.03430	2.6
65.12751	1.1
67.05501	19.8
69.03428	5.3
69.07070	5.9
71.01358	1.4
71.04980	4.0
71.51029	1.1
71.51433	1.8
73.02939	1.3
76.46537	1.1
77.03931	1.2
79.05489	13.6
81.03419	10.3
81.07053	21.4
83.04970	6.3
83.08617	5.4
85.02902	7.3
85.06534	3.3
91.04896	1.6
91.05476	16.6
93.07044	17.8
94.04220	1.2
95.04970	10.6
95.08604	23.0
97.02888	3.0
97.06490	1.9
97.10168	2.8
99.08109	2.2
103.05427	2.9
105.07025	13.1
107.04937	6.0
107.08598	10.6
109.02860	1.8
109.06505	5.9
109.10163	15.5
111.04389	2.6
111.08095	3.1
113.02415	1.6
113.09631	1.6
115.05420	2.2
117.07024	4.3
119.04948	2.8
119.08578	8.7
121.02885	2.9
121.06518	5.8
121.10154	9.4
122.03624	3.3
123.04425	4.3
123.08079	13.0
123.11732	7.4
125.06025	1.5
125.09653	3.8
127.03910	1.7
129.06964	3.0
129.09100	1.9
131.04900	4.7
131.08557	4.6
133.06474	2.7
133.10149	5.7
135.04463	1.8
135.08047	7.5
135.11716	5.5
137.05972	35.3
137.09616	4.2
137.13304	1.3
139.03906	1.9
139.07523	2.5
141.06952	1.4
142.07874	1.1
143.08566	2.2
143.25000	1.1
145.06442	2.1
145.10132	5.8
147.04422	1.9
147.08035	3.7
147.11674	2.7
149.05963	2.3
149.09618	3.5
149.13278	1.3
151.07542	100.0
151.11130	2.1
152.07921	2.6
153.05412	1.2
153.09099	1.9
153.12720	1.6
154.08554	2.0
155.08640	1.3
155.10645	1.4
157.08823	1.2
157.10141	3.5
159.08072	2.8
159.11679	2.9
161.05942	2.8
161.09642	2.4
161.13316	2.2
163.07567	8.5
163.11172	4.8
165.09096	10.3
167.03433	2.0
167.07036	4.7
167.08505	2.4
167.10747	1.5
169.08693	1.2
169.10039	1.3
171.08119	1.7
173.09598	2.7
173.11690	1.5
173.13210	1.2
173.36148	1.2
174.06853	1.6
175.07545	3.6
175.11176	2.6
175.14804	1.2
177.05447	3.8
177.09126	3.3
181.06497	1.6
181.08653	1.2
183.10165	2.1
189.09145	3.8
191.10669	18.6
193.12247	4.4
195.07988	1.6
195.11664	1.3
201.11118	2.8
203.10704	1.6
203.18044	1.5
205.12198	1.5
209.10051	1.2
209.11649	5.6
211.13268	2.6
213.12636	1.3
217.12375	1.4
218.07225	1.4
219.13678	1.2
225.09055	1.2
227.10674	1.4
227.12749	1.8
231.13849	1.8
235.13249	1.9
247.13283	1.7
249.14897	1.4
253.08498	1.4
255.10143	1.5
273.18597	1.6
274.04706	1.2
285.11252	2.9
287.12894	2.3
302.04105	1.2
303.06509	1.1
313.18176	1.3
315.04996	1.3
316.06177	1.4
317.06543	38.9
318.06940	3.9
331.08545	2.7
383.22113	1.5
401.23285	2.8
411.28757	1.7
429.29977	1.3
475.27002	3.4
493.10535	1.5
493.27908	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	493.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62292	1.0
51.55361	1.1
52.03153	1.1
53.03937	2.2
55.01860	4.6
55.05505	7.2
57.03430	2.6
65.12751	1.1
67.05501	19.8
69.03428	5.3
69.07070	5.9
71.01358	1.4
71.04980	4.0
71.51029	1.1
71.51433	1.8
73.02939	1.3
76.46537	1.1
77.03931	1.2
79.05489	13.6
81.03419	10.3
81.07053	21.4
83.04970	6.3
83.08617	5.4
85.02902	7.3
85.06534	3.3
91.04896	1.6
91.05476	16.6
93.07044	17.8
94.04220	1.2
95.04970	10.6
95.08604	23.0
97.02888	3.0
97.06490	1.9
97.10168	2.8
99.08109	2.2
103.05427	2.9
105.07025	13.1
107.04937	6.0
107.08598	10.6
109.02860	1.8
109.06505	5.9
109.10163	15.5
111.04389	2.6
111.08095	3.1
113.02415	1.6
113.09631	1.6
115.05420	2.2
117.07024	4.3
119.04948	2.8
119.08578	8.7
121.02885	2.9
121.06518	5.8
121.10154	9.4
122.03624	3.3
123.04425	4.3
123.08079	13.0
123.11732	7.4
125.06025	1.5
125.09653	3.8
127.03910	1.7
129.06964	3.0
129.09100	1.9
131.04900	4.7
131.08557	4.6
133.06474	2.7
133.10149	5.7
135.04463	1.8
135.08047	7.5
135.11716	5.5
137.05972	35.3
137.09616	4.2
137.13304	1.3
139.03906	1.9
139.07523	2.5
141.06952	1.4
142.07874	1.1
143.08566	2.2
143.25000	1.1
145.06442	2.1
145.10132	5.8
147.04422	1.9
147.08035	3.7
147.11674	2.7
149.05963	2.3
149.09618	3.5
149.13278	1.3
151.07542	100.0
151.11130	2.1
152.07921	2.6
153.05412	1.2
153.09099	1.9
153.12720	1.6
154.08554	2.0
155.08640	1.3
155.10645	1.4
157.08823	1.2
157.10141	3.5
159.08072	2.8
159.11679	2.9
161.05942	2.8
161.09642	2.4
161.13316	2.2
163.07567	8.5
163.11172	4.8
165.09096	10.3
167.03433	2.0
167.07036	4.7
167.08505	2.4
167.10747	1.5
169.08693	1.2
169.10039	1.3
171.08119	1.7
173.09598	2.7
173.11690	1.5
173.13210	1.2
173.36148	1.2
174.06853	1.6
175.07545	3.6
175.11176	2.6
175.14804	1.2
177.05447	3.8
177.09126	3.3
181.06497	1.6
181.08653	1.2
183.10165	2.1
189.09145	3.8
191.10669	18.6
193.12247	4.4
195.07988	1.6
195.11664	1.3
201.11118	2.8
203.10704	1.6
203.18044	1.5
205.12198	1.5
209.10051	1.2
209.11649	5.6
211.13268	2.6
213.12636	1.3
217.12375	1.4
218.07225	1.4
219.13678	1.2
225.09055	1.2
227.10674	1.4
227.12749	1.8
231.13849	1.8
235.13249	1.9
247.13283	1.7
249.14897	1.4
253.08498	1.4
255.10143	1.5
273.18597	1.6
274.04706	1.2
285.11252	2.9
287.12894	2.3
302.04105	1.2
303.06509	1.1
313.18176	1.3
315.04996	1.3
316.06177	1.4
317.06543	38.9
318.06940	3.9
331.08545	2.7
383.22113	1.5
401.23285	2.8
411.28757	1.7
429.29977	1.3
475.27002	3.4
493.10535	1.5
493.27908	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	493.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01860	7.5
55.05508	40.2
57.03426	6.5
57.07067	2.0
59.04994	5.8
65.03942	5.0
67.05502	65.7
69.03433	7.7
69.07062	17.6
69.64710	9.8
69.65114	4.7
71.04995	17.9
77.03896	2.3
79.05487	62.0
81.03416	25.0
81.07053	69.5
81.07539	3.7
83.04974	10.9
83.08628	22.8
85.02901	4.8
85.06549	8.0
87.04468	2.1
91.05474	60.2
91.06023	3.3
93.07040	54.8
95.04967	19.7
95.08030	2.1
95.08604	35.3
97.06537	8.6
97.10142	19.0
99.08038	2.3
103.05468	4.5
105.07023	52.9
105.07695	3.2
107.04962	10.1
107.08592	38.9
107.37368	2.3
108.72064	2.0
109.06526	12.5
109.10152	20.6
111.04449	4.2
111.08068	11.6
115.05485	3.0
117.07007	18.1
119.04910	3.5
119.08581	36.0
120.08107	5.2
120.08871	2.3
121.06500	11.4
121.10148	21.2
123.08101	9.2
123.11717	5.0
125.06042	3.3
125.09627	15.7
128.06250	4.7
129.06979	20.6
131.04936	4.3
131.08551	38.7
133.06522	4.3
133.10117	23.4
135.08075	14.9
135.11708	9.4
137.09651	6.5
139.11195	2.6
141.06992	6.1
142.07796	4.3
143.08562	17.1
143.93425	2.3
145.06544	4.1
145.10098	21.3
147.08086	8.2
147.11679	16.3
149.09618	14.0
149.13283	7.7
151.11214	3.7
153.07028	3.0
155.08540	10.2
157.10132	16.4
159.08093	4.1
159.11736	10.1
161.09645	5.5
161.13272	5.4
163.11201	6.2
164.84309	2.2
165.12726	2.7
167.08667	4.5
169.10147	6.6
171.08115	2.5
171.10437	2.0
171.11650	11.3
173.09631	3.1
173.13272	4.7
175.11200	7.3
175.14874	5.5
177.12798	5.2
179.14352	2.7
181.10060	5.6
181.12337	2.5
183.11755	5.8
184.07343	5.0
185.09686	2.6
185.13359	7.3
187.11188	2.8
187.14842	4.2
189.11264	8.9
189.12828	3.5
193.12180	15.9
195.11823	2.9
195.13763	2.6
197.13333	4.9
199.11229	3.2
199.13235	3.4
199.14903	7.3
201.12758	2.2
203.14362	5.7
207.11784	2.8
207.13730	2.8
211.13254	4.7
211.15038	3.2
213.12805	3.3
213.16393	3.1
215.14221	2.5
217.15982	9.6
219.13852	2.5
221.13406	4.7
221.15424	9.1
223.14880	2.5
225.14841	4.2
227.12839	8.4
233.15463	3.0
237.07619	2.7
247.17003	2.3
251.16553	3.4
263.16437	2.9
323.23926	5.1
331.05777	2.9
333.22086	2.7
341.24930	9.2
351.23114	17.3
356.02203	2.7
359.25977	3.2
369.24213	25.0
387.25400	23.3
400.29065	2.6
401.27124	3.9
405.26172	12.5
417.26199	5.2
419.28137	5.6
435.27243	10.6
437.29031	23.1
443.27985	19.5
461.28955	64.1
461.35223	3.7
462.29324	2.9
475.30811	11.6
493.31754	100.0
494.32709	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01868	18.1
55.05509	46.1
57.03424	15.3
57.07061	3.7
59.04980	4.7
62.86493	2.8
65.03939	5.3
67.05140	3.3
67.05502	69.6
69.03422	10.3
69.07059	17.1
70.78352	9.1
71.04981	10.0
79.05492	58.5
81.03416	89.4
81.07050	63.2
83.01358	6.2
83.04984	35.2
83.08611	38.9
85.02895	27.0
85.06534	5.0
91.05479	65.7
93.07039	53.5
95.04970	43.9
95.08599	29.4
97.02888	10.7
97.06520	12.8
97.10168	11.9
99.04421	5.0
105.07018	35.7
107.04957	24.3
107.08591	34.8
109.02859	4.7
109.06503	12.8
109.10155	20.5
111.04414	15.0
111.08081	19.7
113.06017	3.3
115.05446	5.2
115.33894	2.6
117.07024	14.7
119.04938	3.9
119.08573	32.8
121.02866	5.3
121.06505	9.4
121.10141	17.8
123.04439	4.5
123.08042	12.3
123.11695	3.6
124.03149	2.8
125.06012	4.3
125.09613	13.9
129.07002	13.7
131.04913	3.9
131.08554	23.8
133.06531	5.4
133.10097	16.5
135.08070	7.1
135.11665	17.3
137.05983	3.5
137.09627	5.1
142.07727	2.7
145.06482	4.0
145.10103	22.6
146.85127	2.6
147.04459	4.5
147.08058	5.9
147.11671	22.0
149.09616	12.6
153.12764	13.2
157.10097	18.4
159.08078	3.8
159.11639	4.0
163.09961	4.3
163.11137	22.9
173.09607	7.0
173.13179	3.7
175.11195	14.2
181.12299	11.0
189.11243	5.9
191.10684	10.8
193.12238	59.7
209.11777	23.2
211.13278	51.8
227.12775	21.6
247.13249	9.5
249.15007	3.7
267.16058	13.6
283.15372	12.1
317.06158	3.2
321.17017	4.6
331.05850	4.5
373.23511	3.1
383.22156	9.8
401.23303	10.2
457.26086	3.1
475.26828	20.0
493.27982	100.0
493.35138	6.9
494.28323	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	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03954	6.2
55.01629	1.6
55.01868	16.5
55.05510	36.0
57.03435	18.5
57.07076	2.1
59.04981	4.6
65.03918	3.2
67.05501	42.2
69.03420	6.0
69.07071	10.1
69.48704	10.3
71.01340	1.5
71.04982	8.1
77.03893	1.7
79.05029	1.3
79.05490	48.4
81.03415	73.1
81.07053	45.3
83.01344	9.0
83.04506	1.6
83.04977	29.0
83.08167	2.5
83.08619	35.7
85.02904	39.2
85.06526	3.8
91.05482	47.2
93.07040	43.4
95.04965	40.2
95.08600	20.0
97.02860	5.8
97.06528	10.7
97.10152	6.3
99.04440	3.3
99.08089	1.5
104.05854	1.3
105.07034	34.7
107.04949	13.8
107.08591	23.5
109.06501	13.1
109.10142	4.1
111.04438	6.9
111.08078	14.2
113.05994	3.6
115.05446	2.9
117.07026	13.9
119.08578	27.7
121.06532	8.0
121.10137	18.8
123.04417	1.5
123.08055	14.3
123.11694	1.7
125.05954	2.3
125.09627	4.3
129.06982	10.4
130.07748	4.0
131.08569	13.8
133.06456	2.8
133.10127	10.0
135.08072	2.3
135.11678	13.5
137.09581	3.5
137.13254	1.2
142.07774	3.1
143.08543	2.1
145.06490	1.7
145.10107	22.7
147.08031	7.8
147.11647	14.3
149.05872	1.4
149.09573	5.9
153.12717	6.6
155.08545	2.3
157.10133	14.2
163.11182	31.6
165.12770	4.2
169.96240	1.3
173.09604	3.8
175.11192	13.9
181.12186	6.4
181.29286	1.2
191.10674	5.2
193.10446	2.9
193.12231	68.8
209.11769	10.5
211.13280	73.2
227.12772	5.4
267.15872	5.0
283.15408	3.8
303.06619	1.9
331.05844	1.8
332.09177	4.7
383.22244	2.1
461.28992	2.0
475.26721	2.1
493.27875	100.0
494.28125	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	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.01872	18.3
55.05510	42.1
57.03434	15.1
57.07082	2.5
58.18081	1.9
59.04990	2.6
61.93937	1.8
65.03927	5.2
67.05504	62.8
69.03420	7.6
69.07068	17.6
71.05006	9.5
78.64555	1.7
79.05489	60.3
81.03414	79.5
81.06596	3.1
81.07053	50.9
83.01357	2.1
83.04983	30.5
83.08616	34.2
83.20002	1.6
83.50024	2.2
85.02899	22.1
85.06540	5.6
91.05478	48.5
93.07043	61.3
95.04964	41.4
95.07988	2.9
95.08604	47.5
97.02888	9.7
97.06533	7.9
97.10165	14.1
99.04455	5.2
103.05486	2.7
105.07031	37.9
105.07702	3.1
106.07376	2.0
107.04959	28.6
107.08587	45.0
109.02884	3.7
109.06519	12.3
109.10146	20.2
111.04430	15.1
111.08100	12.9
111.11810	1.7
113.05993	2.1
115.05444	2.8
117.07018	16.8
117.22540	1.9
119.04904	2.9
119.08575	36.2
121.02884	9.0
121.06480	12.0
121.10142	25.2
123.04382	2.7
123.08052	6.5
123.11726	2.4
125.05936	2.1
125.09653	11.0
125.55670	1.9
129.07011	14.7
131.04927	2.6
131.08565	14.8
133.06488	7.2
133.10120	13.4
135.04395	4.5
135.08057	5.6
135.11679	45.9
137.09599	6.1
139.07562	2.5
141.07011	3.9
142.07770	5.0
143.08621	3.5
145.06462	3.9
145.10120	30.5
147.04356	1.9
147.08040	5.7
147.11702	16.5
149.01186	1.9
149.05928	2.3
149.09610	8.1
153.12741	6.6
155.08557	3.3
157.10123	14.8
159.07996	2.1
159.11742	3.3
161.09589	2.3
163.11174	59.0
165.12708	2.6
173.09673	3.4
173.11768	2.7
173.13228	2.7
175.11191	16.0
181.12227	14.7
189.09178	1.9
189.11256	6.5
191.10681	7.0
193.12236	47.4
201.12703	4.7
203.14442	2.6
209.11664	10.1
211.13269	57.3
213.12761	2.6
219.13896	2.1
221.15471	2.0
223.13362	2.3
227.12769	100.0
229.14415	4.2
231.13736	3.0
247.13278	21.6
249.14903	6.9
267.15869	18.2
283.15363	10.9
317.06503	3.2
321.17084	4.1
378.28702	2.3
383.22159	9.1
401.23260	7.6
419.24179	2.0
475.26913	28.9
493.27966	94.1
493.34091	3.2
494.28372	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02362	2.1
53.03923	7.8
53.04148	1.7
55.01868	12.6
55.05503	30.9
57.03438	12.8
57.03660	2.9
59.04996	4.1
65.03922	4.8
65.71590	2.0
67.05499	55.6
69.03416	5.7
69.07061	18.7
71.01326	3.1
71.04997	11.3
71.53012	2.9
79.05489	53.3
81.03414	62.9
81.07050	59.9
83.01350	3.8
83.04969	25.2
83.08616	29.4
85.02901	27.9
85.06526	6.9
87.04466	2.4
91.05476	53.3
93.06493	3.5
93.07039	51.5
95.04961	36.5
95.08598	27.2
97.02859	8.8
97.06512	10.2
97.10149	9.4
99.04426	3.4
99.08080	2.8
103.05501	2.2
105.07021	36.1
107.04946	20.2
107.08581	28.8
109.02840	4.5
109.06509	13.5
109.10145	16.5
111.04437	13.3
111.08067	13.5
113.05973	4.0
115.05415	3.5
117.07009	13.4
119.04982	1.9
119.08567	25.6
121.06493	9.8
121.10140	25.2
123.04424	3.6
123.08047	13.2
123.11697	7.2
125.05959	3.2
125.09604	8.7
129.07014	9.9
131.08566	17.3
133.06470	6.1
133.10138	17.8
135.08040	8.2
135.11690	14.5
137.05951	6.5
137.09589	8.6
139.07474	3.3
139.11166	3.5
142.07784	5.1
143.08530	3.7
145.06500	2.9
145.10112	19.6
147.08009	6.0
147.11664	14.9
149.05975	2.1
149.09621	12.0
151.07530	3.3
151.11147	4.3
153.12776	5.0
155.08551	3.6
157.10179	12.9
159.11667	4.1
161.05940	3.2
161.13289	2.4
163.11160	28.5
165.09084	6.1
165.12735	4.4
167.07069	9.2
171.11638	2.8
173.09645	4.0
173.13362	3.7
175.11169	16.9
175.14775	2.0
177.12653	2.8
181.12207	6.4
189.11208	3.6
191.10648	7.5
193.12228	53.1
201.12697	3.1
205.12152	3.4
209.11629	13.0
211.13261	52.0
227.10738	1.8
227.12704	11.1
247.13103	2.9
249.14877	4.0
265.82077	2.3
267.15775	4.9
283.15424	8.5
303.06531	7.6
317.06577	6.2
331.05795	12.9
332.06619	3.5
373.22891	2.2
383.22144	5.0
387.25195	1.9
401.22900	3.5
419.24588	2.1
457.33188	2.3
461.28018	3.9
475.26767	6.6
493.27893	100.0
513.37811	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1339
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
51.87078	0.4
53.03931	0.5
53.19382	0.5
54.30577	0.5
55.01852	0.6
55.05500	1.0
57.03429	1.0
61.02921	1.3
67.05482	2.0
69.03434	3.2
69.07067	0.7
69.39390	3.5
71.04966	0.6
73.46121	0.4
75.31800	0.4
79.05485	1.6
81.03401	2.5
81.07049	2.2
83.08616	0.5
85.02904	8.8
87.04462	0.9
91.05461	1.7
92.02591	0.7
93.03430	0.7
93.07036	1.7
95.04955	1.5
95.08606	1.4
97.02895	2.3
97.06555	0.6
99.04459	0.5
105.07017	1.4
107.08576	1.5
109.02890	1.0
109.10159	1.1
111.04457	0.7
119.08553	0.8
121.02818	1.3
121.10120	0.7
123.08092	0.6
123.68654	0.5
127.03907	1.7
131.08481	0.6
135.04439	0.5
137.06038	0.6
140.04631	1.1
145.04929	1.4
147.11714	0.9
149.09624	0.6
151.03915	1.2
151.07626	1.1
153.05376	0.6
161.09715	0.5
163.03845	0.9
163.07498	0.6
165.09213	0.6
167.03386	8.7
167.04758	0.6
168.13844	0.5
177.05351	0.5
231.06578	1.0
242.05733	1.0
243.06471	3.7
259.06116	1.2
260.06793	1.6
271.06094	1.8
287.05533	1.9
288.06296	3.8
299.05481	3.6
316.05765	14.9
317.06500	2.1
319.20514	0.5
331.08115	100.0
332.08450	3.2
493.20978	0.7
493.28033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.2
53.49637	0.2
55.01873	0.2
55.05505	0.4
55.49096	0.2
57.03423	0.2
61.02926	2.2
67.05482	0.5
69.03419	0.8
69.07059	0.3
70.04240	0.3
70.04649	0.7
73.02905	0.7
79.05482	0.5
81.03405	0.7
81.07032	0.6
81.60867	0.2
83.53561	0.2
85.02907	2.1
91.03950	1.0
91.05462	0.8
93.07030	0.5
95.04980	0.5
95.08595	0.7
97.02856	1.2
97.06499	0.3
99.04444	0.2
104.97102	0.2
105.07013	1.0
107.04936	0.5
107.08588	0.5
109.02895	0.4
109.06503	0.3
109.10129	0.4
110.03671	0.5
111.04372	0.3
115.05498	0.2
119.08583	0.4
121.02851	0.3
121.06519	0.3
121.10133	0.7
123.04417	0.5
127.03880	0.6
129.07027	0.2
133.06396	0.2
133.10101	0.5
135.04391	0.2
135.11703	0.2
137.02312	1.2
137.05983	1.1
137.16701	0.2
143.08511	0.2
145.02870	0.6
145.05032	0.2
147.04424	0.3
147.08105	0.2
147.11763	0.2
149.02243	0.4
149.06108	0.2
149.09642	0.4
151.03880	0.5
151.07538	0.5
153.01819	0.3
161.05995	0.3
163.03905	1.4
163.07599	0.6
165.09097	0.3
167.03391	0.8
168.04187	0.2
171.11662	0.3
177.05467	1.1
187.07613	0.2
193.04936	0.3
207.02911	0.4
214.06238	0.4
217.04906	0.3
220.95570	0.2
229.05014	0.3
242.05646	1.2
243.06531	0.4
245.04446	0.7
258.05081	0.2
259.06024	0.6
269.04391	0.3
270.05295	0.6
271.06030	0.7
273.03925	5.3
286.04767	0.4
287.05502	3.2
288.06299	2.4
299.05524	0.8
303.06143	0.3
315.04938	6.6
316.05759	22.8
317.06186	0.8
318.04105	0.3
331.08105	100.0
332.08405	2.6
351.94836	0.2
373.08392	0.2
475.07941	0.3
493.09030	0.4
493.16971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
53.49637	0.2
55.01873	0.2
55.05505	0.4
55.49096	0.2
57.03423	0.2
61.02926	2.2
67.05482	0.5
69.03419	0.8
69.07059	0.3
70.04240	0.3
70.04649	0.7
73.02905	0.7
79.05482	0.5
81.03405	0.7
81.07032	0.6
81.60867	0.2
83.53561	0.2
85.02907	2.1
91.03950	1.0
91.05462	0.8
93.07030	0.5
95.04980	0.5
95.08595	0.7
97.02856	1.2
97.06499	0.3
99.04444	0.2
104.97102	0.2
105.07013	1.0
107.04936	0.5
107.08588	0.5
109.02895	0.4
109.06503	0.3
109.10129	0.4
110.03671	0.5
111.04372	0.3
115.05498	0.2
119.08583	0.4
121.02851	0.3
121.06519	0.3
121.10133	0.7
123.04417	0.5
127.03880	0.6
129.07027	0.2
133.06396	0.2
133.10101	0.5
135.04391	0.2
135.11703	0.2
137.02312	1.2
137.05983	1.1
137.16701	0.2
143.08511	0.2
145.02870	0.6
145.05032	0.2
147.04424	0.3
147.08105	0.2
147.11763	0.2
149.02243	0.4
149.06108	0.2
149.09642	0.4
151.03880	0.5
151.07538	0.5
153.01819	0.3
161.05995	0.3
163.03905	1.4
163.07599	0.6
165.09097	0.3
167.03391	0.8
168.04187	0.2
171.11662	0.3
177.05467	1.1
187.07613	0.2
193.04936	0.3
207.02911	0.4
214.06238	0.4
217.04906	0.3
220.95570	0.2
229.05014	0.3
242.05646	1.2
243.06531	0.4
245.04446	0.7
258.05081	0.2
259.06024	0.6
269.04391	0.3
270.05295	0.6
271.06030	0.7
273.03925	5.3
286.04767	0.4
287.05502	3.2
288.06299	2.4
299.05524	0.8
303.06143	0.3
315.04938	6.6
316.05759	22.8
317.06186	0.8
318.04105	0.3
331.08105	100.0
332.08405	2.6
351.94836	0.2
373.08392	0.2
475.07941	0.3
493.09030	0.4
493.16971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03989	0.1
55.01932	0.2
55.05564	0.5
57.03492	0.3
60.16163	0.1
62.95155	0.1
67.05507	0.9
69.03471	0.2
69.07104	0.3
69.19950	1.5
71.05051	0.2
79.05573	0.8
81.02979	0.2
81.03493	1.1
81.07050	1.0
83.04629	0.1
83.05052	0.5
83.08687	0.4
85.02913	0.6
85.06582	0.2
91.05560	0.9
93.07035	1.1
95.05058	0.6
95.08589	0.9
97.02956	0.2
97.06586	0.3
97.10233	0.3
98.20821	0.3
105.07101	0.5
107.04993	0.3
107.08577	0.7
109.06612	0.3
109.10223	0.5
111.04501	0.3
111.08154	0.3
117.07053	0.3
119.04929	0.1
119.08553	0.7
121.06551	0.2
121.10141	0.7
123.08130	0.2
125.09672	0.3
129.07039	0.2
131.08664	0.4
133.10233	0.4
135.08040	0.1
135.11711	0.3
137.06079	0.2
137.09688	0.2
145.06570	0.2
145.10109	0.6
147.08113	0.2
147.11766	0.4
149.09738	0.4
149.13254	0.1
151.11221	0.2
153.12804	0.2
157.10182	0.3
159.11707	0.2
163.11137	0.7
165.09207	0.3
167.07053	0.2
175.11282	0.2
181.05000	0.2
181.12242	0.3
191.08597	0.3
191.10696	0.4
193.12202	0.7
209.11713	0.2
211.13274	0.3
219.08014	0.6
227.12836	0.4
229.06512	0.3
235.13280	0.1
247.07521	1.2
257.06131	0.3
258.06671	0.1
265.14484	0.1
265.76489	0.1
275.07068	1.6
283.15442	0.2
285.05301	0.2
288.06287	0.3
302.06277	0.2
303.06482	56.7
304.06854	2.5
316.05811	1.2
317.06442	0.5
331.05930	100.0
332.06470	6.9
338.75644	0.1
369.06299	0.1
383.22067	0.2
475.26584	0.5
493.11108	0.4
493.27835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0975
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01859	0.2
57.03412	0.5
63.69497	0.1
67.05484	0.2
69.03415	0.4
69.85390	0.7
71.01373	0.8
73.02909	1.6
74.17023	0.2
75.04459	0.1
79.05458	0.2
81.07035	0.2
85.02902	2.8
92.02600	0.2
93.03336	0.1
95.01315	0.2
95.04910	0.1
95.08586	0.4
97.02860	0.3
99.00835	0.2
99.66929	0.1
101.02350	0.3
103.03918	0.1
109.02846	0.2
110.03652	0.5
113.02362	1.2
113.05933	0.2
121.10172	0.2
123.00574	0.1
123.04418	0.6
123.08069	0.2
129.03699	0.3
130.06526	0.5
131.03401	0.6
135.04436	0.3
137.02348	1.2
137.05968	0.2
139.03893	0.1
141.01794	0.3
146.03149	0.2
147.04736	0.7
151.07495	0.2
153.01791	0.9
154.06659	0.2
157.07608	0.5
159.02882	0.5
167.03352	0.4
167.07079	0.2
168.08109	0.3
177.05475	0.5
178.05806	0.2
179.03305	0.3
182.06006	0.3
193.01326	0.4
194.02191	0.2
196.07605	0.5
197.06035	0.2
200.04713	0.4
203.08153	1.1
204.04195	0.6
210.05466	0.6
217.04900	0.3
224.07068	1.2
228.04175	2.2
229.04959	0.9
234.09186	0.2
236.07077	0.8
243.06308	0.2
245.04523	0.9
252.06514	1.3
254.07976	0.2
256.03693	0.4
257.04446	0.9
264.06516	0.7
266.08188	0.2
273.03989	0.8
274.04730	3.1
276.06598	0.3
278.08160	1.7
285.03854	0.7
295.10754	0.4
301.03436	8.3
302.04196	25.0
303.04553	0.3
306.07568	0.2
317.06543	100.0
318.06955	1.8
324.08575	0.9
341.11371	3.7
361.21817	0.1
398.10202	0.4
412.11676	0.3
416.11203	0.4
430.12827	0.3
458.12259	0.6
475.14648	0.2
476.13391	0.4
493.09589	0.8
493.16827	0.3
514.53021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0974
Annotation	Isorhamnetin 3-glucuronide
Peak:m/z	Relative Intensity
50.86226	0.2
55.01855	0.4
57.03428	1.1
67.01852	0.3
68.99812	0.4
69.03413	0.7
70.85043	0.2
71.01349	2.3
71.42676	0.4
73.02917	3.6
75.04507	0.2
83.01318	0.3
85.02903	10.5
92.02627	1.3
93.03402	1.7
95.01332	1.5
97.02884	0.7
99.00790	0.6
101.02361	0.7
103.03925	0.6
109.48044	0.2
113.02367	4.5
121.02857	1.0
121.10050	0.3
126.03129	0.5
131.03403	2.2
137.02348	0.5
137.05939	0.4
139.03880	0.8
140.97226	0.2
141.01811	2.2
151.03877	0.8
151.04993	0.3
151.07484	0.2
153.00575	0.4
153.01817	8.4
159.02919	1.8
163.03954	0.3
165.01819	0.7
200.04698	0.3
201.05443	0.8
203.03407	0.4
215.09390	0.3
217.04961	1.2
218.05678	0.4
224.65305	0.3
228.04160	1.8
229.04956	3.7
231.02887	0.6
236.04880	0.2
245.04446	1.6
246.05225	1.6
256.03696	0.4
257.04465	2.4
260.03131	0.4
261.07602	0.4
271.06027	0.4
273.03973	2.1
274.04733	4.3
284.03113	0.6
285.03970	5.1
302.04199	12.9
317.06537	100.0
318.06909	2.0
475.17868	0.2
493.26102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0976
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01871	0.3
57.03435	1.0
61.74519	0.1
65.03914	0.1
67.01856	0.2
69.03413	0.4
71.01351	1.5
71.07584	0.1
71.07923	0.2
73.02921	3.2
75.04472	0.3
81.03411	0.1
83.01330	0.3
85.02905	7.1
93.03403	0.4
95.01328	1.0
95.04964	0.5
97.02888	0.4
99.00820	0.6
99.04504	0.1
101.02392	0.6
103.03970	0.6
109.02899	0.2
113.02370	3.5
116.66566	0.1
118.83591	0.1
121.02859	0.8
123.00739	0.2
123.04436	1.3
124.01579	0.4
125.02384	0.5
127.03867	0.2
131.03397	1.8
134.03683	0.1
135.04387	0.1
137.02339	2.3
137.03326	0.1
139.03923	0.2
141.01828	1.4
141.05458	0.2
144.05653	0.1
145.02815	0.1
149.02353	0.4
150.03062	0.1
151.03908	0.8
155.04968	0.1
159.02896	1.4
163.03917	0.7
167.01976	0.2
167.03398	3.4
167.04770	0.2
179.03380	1.4
180.04236	0.2
183.04440	0.2
187.07579	0.3
191.03348	0.1
191.07018	0.1
197.04451	0.7
200.04752	0.5
207.02844	0.1
209.04434	0.2
211.03993	0.2
213.05411	0.1
215.07045	1.3
227.07303	0.1
228.04176	0.7
233.08099	0.3
242.05739	0.1
243.06538	3.6
253.05098	0.1
256.03671	0.3
257.04456	0.3
261.07559	0.6
271.06027	1.8
273.03922	0.4
274.04721	2.8
274.07559	0.2
288.06223	0.5
299.05487	0.9
302.04196	2.6
316.05777	0.2
317.06552	100.0
318.06912	2.2
329.06638	0.3
329.92914	0.1
331.06021	0.2
359.07742	0.1
419.63873	0.1
449.35800	0.1
494.26010	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	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81669	0.6
53.03940	2.1
55.01854	0.6
55.05503	2.4
57.03424	0.7
58.34421	0.5
59.04983	0.8
67.05508	3.8
69.03438	3.8
69.07059	1.6
70.06597	3.3
71.04971	1.0
73.89662	0.6
78.03454	4.6
78.04718	0.7
79.05492	4.2
80.05026	1.7
81.03426	6.0
81.07056	4.2
83.05000	1.0
83.08608	0.8
85.02908	15.7
85.06535	2.2
91.05477	8.2
93.07037	3.4
95.04980	1.8
95.08606	6.2
96.04504	1.6
97.02887	1.7
99.04443	0.9
103.05426	1.0
105.06326	1.2
105.07031	22.4
106.02916	19.4
106.03633	1.1
107.08591	6.5
109.02899	3.3
109.05783	1.2
109.06512	11.2
109.10164	1.7
113.02375	1.2
115.05495	0.6
117.07029	3.1
119.08585	27.4
121.10151	8.4
123.08078	6.2
123.11693	11.5
124.03953	100.0
125.04270	1.0
125.06012	0.7
127.03925	2.4
129.06975	0.6
131.03427	1.1
131.08568	3.0
132.09293	0.9
133.06488	1.0
133.10130	1.0
135.08057	1.7
135.11629	1.0
137.09631	0.8
137.13263	0.9
141.06952	0.6
145.06458	0.8
145.10150	3.6
147.08022	1.2
147.11687	37.5
148.12025	1.0
149.09639	5.9
151.07529	2.8
153.01822	1.0
156.09386	1.0
159.07961	0.8
161.13165	1.3
163.11189	3.1
165.08974	0.6
165.12729	3.0
166.05014	0.8
167.07022	5.6
167.10747	0.7
168.07381	3.8
171.11688	1.4
173.04501	1.0
173.05936	1.3
174.06419	0.7
174.10451	1.5
181.04950	1.3
182.05254	0.6
184.16240	0.6
189.12753	5.5
207.13795	23.8
225.14842	2.3
226.07008	0.8
232.06062	0.9
234.08418	0.7
242.94391	0.6
250.07140	4.5
268.08157	28.5
269.08597	1.1
284.07687	1.4
286.09219	53.7
287.09528	1.4
303.04968	8.5
364.23193	0.6
445.98117	0.6
462.17972	0.7
474.21149	1.1
492.19098	2.7
493.09003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	0.6
55.05511	2.6
57.03410	0.5
67.05502	6.6
69.03425	0.8
69.07061	1.2
70.16431	1.0
70.16801	0.6
71.04983	0.8
79.05489	3.2
81.03406	0.7
81.07054	6.0
81.19171	0.4
83.04975	0.9
83.08591	0.7
85.06541	0.5
91.05466	2.7
93.07044	3.6
95.04957	2.0
95.08603	4.8
97.06512	0.3
97.10155	1.1
97.11807	0.3
99.12640	0.3
99.65251	0.3
103.05405	0.3
105.07042	2.1
107.04962	3.3
107.08591	2.1
109.06523	1.8
109.10158	7.8
111.08038	0.4
111.57153	0.3
117.06991	0.9
119.08575	3.6
121.06507	2.1
121.10153	1.9
122.07309	2.0
123.08093	0.6
123.11704	8.3
125.09606	1.0
129.06976	0.8
131.08559	1.2
133.10130	0.5
135.08035	0.9
135.11774	0.3
137.09612	13.1
138.09943	0.4
139.07553	0.7
145.06483	0.8
145.10141	0.9
147.08014	0.7
147.11720	0.5
149.09621	1.1
149.13263	0.8
151.07468	0.5
155.10677	0.4
157.10162	0.4
159.08067	0.4
159.11725	0.6
161.09659	0.4
163.11191	0.5
165.09108	100.0
166.09425	1.6
171.11642	0.6
173.09584	0.3
173.11769	0.8
173.13205	0.5
175.11201	0.8
183.10214	0.6
185.09674	0.4
186.06519	0.3
189.11230	0.4
191.18016	0.4
192.48117	0.4
199.13289	0.5
201.11249	1.4
203.14423	0.4
205.12248	0.5
219.13809	1.0
233.15257	0.6
241.40726	0.3
249.14769	0.6
275.16415	0.6
276.61942	0.3
293.24777	0.4
330.07538	0.4
339.25507	0.9
349.21649	0.6
367.22787	1.6
385.23624	2.6
441.26276	0.4
445.32849	0.5
459.27380	4.6
491.10092	0.6
491.30078	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	491.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79976	0.3
53.03946	0.8
55.01867	0.9
55.05510	4.0
57.03427	0.7
57.07074	0.3
64.00063	0.3
67.05503	8.3
69.03416	0.5
69.07059	1.6
71.03381	0.4
71.03711	0.5
71.05003	1.5
79.05492	6.0
81.03397	1.1
81.07053	9.9
83.04979	1.6
83.08611	1.2
85.06535	0.8
88.58498	0.3
91.05482	5.0
93.07040	5.6
95.04964	2.8
95.08607	5.6
96.33678	0.3
97.06501	1.1
97.10163	1.8
103.05457	0.4
105.07034	3.2
107.04949	6.0
107.08590	3.2
109.02881	0.5
109.06524	2.2
109.10155	8.6
111.08077	0.8
113.05994	0.3
117.06990	1.6
119.08589	5.4
121.06502	4.1
121.10138	3.0
122.07280	1.8
123.04431	0.7
123.08050	0.8
123.11701	7.1
125.09626	1.9
127.15845	0.3
129.06998	1.0
131.04938	0.8
131.08575	2.8
133.06465	0.8
133.10149	1.0
135.08022	1.2
135.11673	0.7
137.05986	0.5
137.09612	13.1
137.13205	0.3
139.07588	0.6
139.11156	0.5
143.08540	1.2
145.06474	0.9
145.10097	1.2
147.04359	0.5
147.08058	1.0
147.11629	0.7
149.09563	1.5
149.13295	0.7
151.07535	0.5
155.08571	0.7
155.10680	0.7
157.10091	0.7
159.08072	0.9
159.11694	0.8
161.06010	0.4
161.09627	0.8
163.07584	0.5
163.11171	0.9
165.09109	100.0
165.42126	0.3
166.09448	1.2
167.03391	0.6
167.06920	0.3
167.10669	0.6
169.10155	0.4
171.11693	0.5
173.09593	0.3
173.13263	0.9
175.07574	0.3
175.11174	0.8
177.08998	0.3
181.10193	0.3
183.10236	0.7
183.11620	0.4
185.09686	0.5
185.13229	0.5
187.11166	0.5
189.11171	0.6
189.12724	0.7
191.14268	0.7
193.12135	0.8
197.13235	0.5
199.11406	0.4
199.13280	0.9
201.11174	1.1
201.12857	0.7
203.14302	0.5
205.12207	0.9
213.12691	0.5
215.14297	0.4
219.12048	0.3
219.13803	1.8
221.15271	0.3
231.13776	0.4
233.15359	0.6
249.14822	0.9
250.58553	0.4
273.15143	0.4
275.16302	0.5
302.08243	0.3
315.05093	0.7
316.05737	0.8
330.07690	0.4
339.25485	0.8
349.21603	0.9
357.24219	0.5
367.22662	3.2
385.23734	3.8
399.25217	0.6
403.24649	0.5
441.26361	0.8
449.06265	0.3
459.03073	0.4
459.27444	7.1
473.28561	0.9
491.09558	1.1
491.30130	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	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03935	9.4
55.01868	8.8
55.05272	3.6
55.05511	39.8
57.03434	15.9
65.03938	5.3
66.28481	2.3
66.38461	2.2
67.05505	62.0
69.03423	4.2
69.06017	2.5
69.07062	20.7
69.44244	14.9
69.44650	7.5
71.01320	3.5
71.04996	7.1
79.05022	3.0
79.05489	86.6
81.03413	62.0
81.07053	83.6
83.04970	22.5
83.08616	23.2
85.02911	16.5
91.05476	100.0
93.07044	68.9
95.04962	45.4
95.08609	40.5
97.02895	5.2
97.06517	9.2
97.10180	14.3
103.05479	5.1
105.07027	70.5
107.04946	11.3
107.08582	36.6
109.06522	7.1
109.10176	13.8
111.08059	9.8
115.05475	5.5
117.07001	20.2
119.08584	42.2
121.06492	7.3
121.10136	18.9
123.08071	11.5
123.11699	11.9
123.12905	2.3
125.09610	7.8
128.06200	3.5
129.06993	31.5
131.04912	8.5
131.08571	19.8
133.10135	25.2
135.08017	2.7
135.11699	7.0
142.07857	4.1
143.08537	13.3
145.06490	4.4
145.10121	17.9
147.08083	4.7
147.11674	58.8
149.09636	4.1
155.08562	4.5
157.10161	18.1
159.11699	3.4
161.09721	4.3
161.13214	13.9
167.03392	68.2
169.10139	4.4
171.11700	30.6
175.11206	8.5
185.13200	5.5
187.13297	6.3
189.11212	5.9
189.12747	9.8
193.12241	36.8
203.18025	5.3
207.13766	31.3
211.13275	29.3
211.15083	4.0
225.14857	3.1
227.12729	6.3
243.15855	3.9
249.14862	8.6
267.15887	23.5
271.09613	44.7
277.17935	3.1
281.17465	29.6
305.17590	6.0
363.23233	3.4
381.24283	5.5
399.25061	7.4
417.26361	3.4
445.35785	4.1
453.84460	3.0
455.28101	4.3
473.28989	46.5
473.35681	5.8
474.28979	5.7
491.29895	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02385	2.4
52.09506	2.1
53.03947	13.4
55.01867	6.6
55.05508	31.9
57.03434	14.7
59.04990	2.4
65.03942	5.0
67.05502	71.6
69.03426	5.8
69.07068	16.2
69.17450	1.8
70.26144	1.9
71.04997	7.5
73.06549	2.2
77.96708	1.9
79.05492	89.3
81.03417	59.0
81.07054	70.1
83.04990	18.8
83.08620	25.3
85.02895	19.2
85.06544	5.2
91.05480	100.0
93.07042	64.7
95.04962	39.1
95.08598	31.8
97.02888	2.7
97.06546	5.7
97.10141	12.8
101.93135	2.0
103.05507	3.7
105.04506	4.9
105.07029	62.8
107.04941	12.5
107.08590	22.5
109.06532	13.6
109.07155	2.1
109.10169	9.1
111.08070	10.1
115.05484	2.9
117.07019	18.8
119.04926	2.7
119.08582	39.6
121.06514	4.2
121.10143	10.0
123.08092	8.0
123.11720	9.3
125.09631	6.7
128.06203	5.8
129.06992	26.5
131.08569	16.8
133.06450	2.9
133.10126	24.1
135.11703	3.8
141.06996	2.6
142.07724	2.2
143.08534	12.1
145.10115	11.7
147.08095	4.6
147.11694	41.9
149.09625	4.3
155.08543	4.1
157.10106	11.6
159.11633	2.5
161.09589	4.2
161.13239	13.2
162.27130	2.3
163.11165	2.3
165.12842	2.0
171.08043	2.6
171.11682	26.6
175.11197	11.5
185.13239	2.4
187.13278	4.0
189.11230	3.1
189.12759	5.9
193.12233	41.8
207.13814	25.5
211.13275	34.0
227.12721	5.1
231.13705	3.4
243.15865	2.5
247.17053	2.7
249.14931	7.4
267.15924	24.0
281.17447	20.0
305.17502	4.0
363.23068	4.1
399.25180	6.8
473.28979	52.8
491.30081	46.2
492.30148	3.1
492.63354	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15141	2.1
53.03933	8.2
55.01851	4.9
55.05506	35.2
55.06885	2.2
57.03434	13.1
65.03939	4.6
67.05499	64.4
69.03423	4.9
69.07070	17.9
69.40391	12.2
69.40805	6.7
71.04990	11.3
79.05486	81.5
81.03416	61.7
81.07049	76.2
83.04971	22.1
83.08614	24.7
85.02890	13.0
85.06513	4.1
87.17974	2.1
91.05474	100.0
93.07039	73.3
95.04955	35.7
95.08050	4.0
95.08600	35.4
97.02888	5.0
97.06535	7.0
97.10166	13.3
99.08046	2.6
105.07018	69.4
106.53423	2.3
107.04952	15.8
107.08590	21.5
109.06504	9.8
109.10146	13.0
111.08060	9.6
114.48948	2.4
115.05434	3.4
117.07009	23.0
119.04948	3.1
119.08566	38.2
121.06486	6.6
121.10118	9.8
123.08060	9.5
123.11729	13.1
125.09608	7.6
128.06252	4.5
129.07013	25.2
131.08560	21.3
133.06458	4.2
133.10115	24.2
135.08035	4.7
135.11751	4.5
137.09601	3.5
142.07765	2.6
143.08563	15.5
145.06465	3.7
145.10135	15.0
147.08000	7.3
147.11682	42.1
149.09630	6.6
151.11166	2.3
153.12627	2.2
157.10139	11.0
159.11575	3.8
161.09604	5.7
161.13249	7.5
163.11166	3.9
169.10094	5.5
171.08002	2.9
171.11659	22.0
173.13274	3.0
175.11168	8.3
185.13239	2.8
187.13226	3.1
189.11179	3.9
189.12738	8.2
193.12276	35.9
199.14853	2.7
204.09311	2.4
207.13748	22.5
211.13243	25.4
221.05507	2.4
224.90771	2.3
227.12755	6.0
231.13860	3.3
243.15863	5.6
249.14937	7.7
267.15857	22.5
281.17429	19.2
305.17365	4.4
315.06494	4.9
316.06818	4.9
345.21915	3.2
353.24808	3.8
363.22833	4.4
375.06451	3.1
381.24164	5.2
382.53293	2.4
399.25122	6.8
403.05621	5.7
417.09726	2.6
427.09296	2.6
428.10046	3.7
445.10333	4.7
449.06458	31.9
450.06558	4.4
455.09189	4.4
455.27029	3.2
456.09937	12.8
472.09332	5.1
473.10242	22.0
473.29001	47.3
474.10321	3.2
491.11099	23.9
491.30106	39.0
492.11432	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	491.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01859	1.0
55.05503	0.6
67.05489	1.8
68.99783	1.0
69.07047	1.1
79.05466	1.3
81.03387	0.4
81.07055	2.1
83.04955	0.6
83.08608	0.5
91.05465	3.0
93.03388	0.3
93.07024	2.3
95.04961	3.0
95.08610	2.1
95.39368	0.3
100.78270	0.3
103.05451	2.5
105.07021	2.6
107.04961	0.4
107.08578	1.4
109.10153	1.4
111.04401	0.5
117.06976	1.0
119.08592	1.9
121.10155	1.1
123.04426	0.8
123.08071	0.4
123.11668	0.7
124.01608	0.9
126.76405	0.3
129.06978	0.6
131.04930	6.2
131.08566	1.0
133.10095	0.7
135.11670	0.6
137.02348	0.4
139.03902	0.5
141.05435	0.5
143.08594	0.5
145.10124	0.9
147.11696	1.1
151.03897	1.0
152.01038	1.2
153.05473	1.2
157.10127	0.7
159.11652	0.4
161.13141	0.5
167.03387	100.0
168.03743	1.6
169.04984	0.4
170.02084	1.3
171.11696	0.5
179.03378	11.6
183.11678	0.4
185.04230	0.3
185.13252	0.4
185.66861	0.3
187.14816	0.5
189.16322	0.4
193.04993	0.9
197.04410	0.9
201.16420	0.4
203.17931	0.6
204.18324	0.4
229.08670	0.9
271.09622	49.9
272.09964	1.4
283.06427	0.5
283.09601	4.6
283.24478	0.4
291.21036	2.8
333.22305	0.4
369.20898	0.5
410.34949	0.9
425.34402	0.3
473.26898	5.5
491.28146	4.9
491.35654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44183	0.3
55.01872	0.8
55.05497	0.9
65.03931	0.5
67.05503	4.7
69.07051	1.5
79.01851	0.4
79.05488	1.9
81.07055	3.6
83.08621	1.0
91.05474	2.5
91.71930	0.4
93.07046	3.1
95.04946	2.3
95.08598	3.3
103.05464	1.9
105.03378	0.5
105.07041	1.9
107.08578	2.1
109.10165	3.1
111.04417	0.6
113.02403	0.5
117.07017	0.7
119.08556	1.4
119.72746	0.4
121.02849	0.7
121.10123	1.6
123.04417	1.1
123.11697	0.7
125.02399	0.5
131.03416	0.5
131.04915	4.1
131.08527	0.5
133.10149	1.2
135.11671	0.9
145.10141	0.8
147.11679	1.7
149.13255	1.6
151.03949	2.5
153.05449	0.6
155.03395	0.4
159.11726	0.5
167.03407	3.3
167.07130	0.4
169.04979	0.4
170.90582	0.4
175.14685	0.4
177.16481	0.4
179.03386	100.0
180.03714	2.0
181.05023	2.0
193.04982	2.4
195.06517	1.0
197.04451	22.9
198.04799	0.5
203.18018	0.9
210.92726	0.4
219.06557	1.0
228.08173	0.3
229.28975	0.4
241.08513	0.5
245.08110	0.5
271.09686	1.3
283.09637	37.6
284.09961	1.2
285.11127	0.8
297.11292	0.7
369.20514	1.7
389.17645	0.6
473.26883	22.4
474.27536	0.8
491.29419	9.7
491.37006	1.6
492.29434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
65.48412	1.4
67.05482	2.0
68.77051	1.6
69.03419	7.4
69.07036	1.7
69.62656	3.7
69.63073	6.5
81.03394	4.3
81.07038	3.0
85.02869	4.1
89.03916	7.1
89.07158	11.5
91.05462	2.9
95.04937	2.1
97.02883	2.7
97.06536	1.9
99.04446	2.5
105.06987	1.6
109.02916	2.3
117.03380	20.9
119.08606	2.3
121.06478	2.0
121.10126	4.7
127.03938	3.7
131.04939	2.4
135.04393	1.9
137.02328	1.8
137.05928	2.3
145.02835	48.2
147.04428	3.2
149.05956	8.8
149.09586	3.9
153.01775	2.3
163.03891	3.3
167.07214	2.6
167.10645	2.3
177.05460	100.0
257.04608	2.9
261.10025	2.3
305.04456	2.2
321.09705	2.4
327.85812	1.7
329.10266	2.3
339.10773	4.8
361.08624	2.3
389.08035	3.0
417.07458	6.0
421.06998	1.7
435.08325	2.4
445.06931	10.0
449.06656	2.3
463.08020	3.4
469.05173	1.9
473.06461	4.9
473.15509	2.0
491.08298	28.7
491.14981	10.1
491.20364	13.1
492.07721	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
69.03427	5.3
71.50693	2.4
75.06257	1.7
79.05486	2.1
81.03419	3.6
81.07044	3.2
83.04985	1.6
85.02912	6.7
89.03925	3.2
89.07139	8.8
89.73864	1.7
91.05489	6.0
93.07058	2.3
95.04958	2.0
95.08636	3.1
97.02905	3.4
98.97559	2.0
103.05491	1.7
107.08643	2.1
109.02889	4.3
109.06506	2.0
117.03354	18.6
119.04990	2.2
121.10148	5.1
127.03883	2.4
129.56087	1.9
131.04958	5.1
137.06024	3.4
140.41071	1.6
145.02850	44.0
147.04477	4.7
149.06065	5.2
149.09665	10.1
153.01849	3.9
159.04541	2.4
163.03900	3.4
177.05467	100.0
187.03944	10.0
207.06635	3.0
249.05620	3.6
257.04468	3.8
276.09451	2.5
284.20206	1.7
287.08780	3.4
305.04453	10.2
305.09756	4.1
333.09296	5.7
339.10953	5.2
347.07288	1.9
360.07999	2.7
361.08633	6.3
371.07162	7.5
373.08755	3.7
389.07986	16.1
390.08792	2.5
399.06732	6.0
400.07538	2.8
401.08084	4.6
405.14401	2.3
417.07657	13.8
418.07794	2.0
431.06430	2.2
435.08801	3.9
437.86273	2.0
445.07098	24.8
446.08136	3.1
447.16635	4.4
449.06857	6.6
463.08432	8.2
473.06598	19.9
473.15564	2.2
491.07919	83.3
491.15649	16.9
491.21579	5.9
492.08194	4.7
492.42166	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03925	0.5
55.01856	1.3
55.05505	0.7
57.03429	0.9
58.93733	0.5
66.27792	0.5
67.01624	0.5
67.05488	0.6
68.99779	0.5
69.03432	4.1
70.06593	0.5
70.45855	0.4
71.04973	2.0
72.91698	0.5
73.02914	0.5
79.01854	6.0
79.05482	1.1
79.74583	0.5
81.03401	2.9
81.07070	2.8
81.61339	0.5
83.04972	0.6
85.02894	3.8
89.03901	1.5
89.37135	0.5
91.05466	1.5
93.07030	2.2
95.04967	1.0
95.08585	1.8
97.02901	3.6
99.04436	1.0
103.05460	0.8
105.07046	1.4
107.01299	2.2
107.04899	1.0
107.08572	1.2
109.02863	1.8
109.10154	0.9
111.04467	0.6
115.05473	0.7
117.03357	2.6
117.06998	1.6
119.04981	0.5
119.08609	1.0
119.22073	0.5
121.10143	3.6
122.03658	0.5
123.04414	0.6
123.08074	0.8
123.11699	0.9
125.02312	3.6
125.09587	0.5
127.03899	1.5
129.05272	0.5
130.13568	0.5
131.04953	0.9
131.08548	0.6
133.06444	0.8
135.04390	0.6
135.11714	1.0
137.05998	3.2
139.11227	0.7
141.07039	0.6
143.03391	8.1
145.02850	7.1
145.04935	0.5
145.06441	1.7
147.04362	1.0
149.05972	1.2
149.09544	0.8
151.03842	1.2
151.07512	1.4
153.01825	100.0
153.02864	5.0
154.02171	1.7
159.04510	0.5
160.07597	2.7
161.05988	1.0
163.03900	0.9
163.07520	0.6
165.09119	0.7
167.07033	1.8
167.10660	1.6
169.06493	0.9
171.02884	1.9
173.05988	2.5
175.03958	0.9
175.07381	0.5
176.04683	3.5
177.05450	15.5
181.04939	1.2
181.06400	0.6
181.71597	0.6
189.05469	1.7
197.06027	0.9
201.05472	5.2
211.09544	0.5
213.05623	1.1
215.06964	0.9
219.06587	0.7
225.05515	1.5
243.06535	1.8
255.06683	0.6
257.04333	0.7
261.07452	0.8
267.06592	2.2
285.03918	4.0
285.07568	1.7
294.18759	0.9
297.06006	1.6
300.06104	0.6
303.05124	1.2
303.08499	0.9
309.11511	1.0
315.08755	4.9
337.14590	0.8
345.08246	0.6
473.05472	0.7
491.07343	0.7
491.19385	1.2
491.30005	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	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01854	4.7
55.05496	6.5
57.03424	2.2
65.03929	2.6
67.05503	19.6
69.03427	2.3
69.07067	10.8
69.62811	14.1
79.05484	12.4
81.07049	20.5
82.07322	2.5
83.04991	2.8
83.08614	5.1
91.05483	17.5
93.07044	17.4
94.07300	2.0
95.04948	12.4
95.08606	26.3
96.05249	1.9
96.08908	3.1
96.60529	1.9
97.06497	3.4
97.10191	2.0
98.01372	1.9
98.21038	7.4
103.05442	5.6
105.07034	18.9
107.04982	2.7
107.08585	27.1
108.08906	3.1
109.06485	3.3
109.10162	19.8
110.10463	3.1
111.04472	2.2
117.07016	5.0
119.08573	21.0
120.08846	2.4
121.10134	19.9
122.10432	2.1
123.04414	4.6
123.08031	2.5
123.11684	4.2
124.04725	2.4
129.07004	3.2
131.04907	12.7
131.08551	9.4
132.05232	3.0
133.10130	17.0
134.10442	2.4
135.08070	2.9
135.11676	10.0
137.09511	2.5
137.13264	3.0
139.00481	2.0
143.08537	3.1
145.10097	11.2
147.11696	14.6
149.09607	3.3
149.13249	10.5
151.03905	5.1
159.11684	11.1
160.12140	3.6
161.13268	10.3
163.11156	6.2
163.14729	9.5
167.03392	100.0
168.03712	3.4
173.13245	5.2
175.14865	8.8
177.16429	16.5
179.03387	47.1
180.03729	14.9
187.14790	8.6
189.16364	29.4
191.17909	6.6
197.04465	4.7
198.04785	3.3
201.16319	12.9
202.16583	2.3
203.17957	43.5
205.15872	25.2
205.19463	2.7
206.16162	2.4
207.17427	18.4
215.17982	4.7
217.64838	2.1
219.17432	3.3
231.17357	2.5
235.16811	2.7
247.17006	2.5
249.18454	8.6
271.06339	4.4
271.09641	51.0
283.09604	14.9
284.09967	9.1
291.21069	2.8
352.33749	2.0
361.96860	2.0
391.33408	3.4
409.34647	57.3
411.32556	3.1
427.35568	7.3
437.33878	13.2
444.35489	4.0
455.34875	4.9
472.26028	2.6
472.34677	4.1
473.26749	4.7
490.26733	3.8
490.35791	10.5
491.28799	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62967	0.8
55.05496	0.7
68.99757	0.9
69.03411	1.6
70.06575	1.1
71.15059	0.7
71.51670	0.8
73.02901	1.2
79.05485	0.8
81.07044	1.4
83.04993	1.0
85.02422	0.8
85.02894	2.4
89.08421	0.7
93.07053	1.1
95.04914	0.8
97.02876	1.8
98.09698	0.9
99.04486	0.7
100.11280	1.0
105.06968	0.9
109.02869	1.3
119.08569	0.7
120.12345	0.8
121.02859	0.8
121.10115	1.9
123.04401	0.9
127.03915	1.1
131.04893	1.8
137.02339	1.0
145.02853	3.7
147.04440	0.9
149.05992	1.1
149.09595	0.7
150.34865	0.7
153.01825	3.1
161.25978	0.7
162.11314	0.7
167.07011	1.8
177.05495	6.9
181.04955	0.9
181.06488	1.7
209.05777	1.7
213.05484	2.0
227.07039	1.6
237.05487	5.2
241.04878	1.0
255.06570	2.4
265.04996	9.0
266.05692	2.3
282.05167	1.0
283.06192	1.5
287.05502	3.3
293.04428	5.8
294.05151	2.3
300.08698	2.4
311.05487	100.0
312.05875	3.8
328.08151	63.3
329.06372	1.1
329.08737	1.0
472.32907	1.2
490.08963	2.5
490.22842	2.0
490.33713	2.4
491.29922	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03937	2.3
54.43723	2.2
55.05508	8.2
57.07078	2.8
65.03905	2.0
67.05503	10.5
69.07065	12.8
79.05496	10.0
81.07054	45.4
83.08617	8.1
91.05480	13.8
93.07069	15.9
93.07542	2.9
95.08621	27.4
97.10196	5.4
98.21556	5.1
102.99255	2.2
105.07036	20.8
107.08591	36.6
109.06553	4.5
109.10173	17.1
117.07020	3.3
117.91802	2.7
119.08589	45.0
121.06504	3.5
121.10147	26.7
123.11720	5.5
129.07021	2.8
131.08569	6.9
133.10132	94.5
135.11699	9.2
139.07576	3.7
145.10136	9.9
147.11690	25.8
148.22662	2.3
149.13272	6.2
157.10205	3.9
159.11714	10.3
161.09679	3.4
161.13297	10.0
163.14803	5.5
173.13272	4.5
175.14854	36.8
177.16391	100.0
179.03394	5.1
185.13271	3.3
187.14838	14.5
189.16374	34.3
193.15887	3.3
199.14786	2.4
201.16457	6.1
203.14359	12.7
203.17976	23.8
205.15849	27.1
207.17491	7.7
213.16449	3.1
215.18022	3.4
221.15385	7.6
221.18977	3.0
223.16942	7.4
231.17441	4.9
247.16881	3.0
249.14870	12.4
249.18463	10.4
283.09674	4.2
303.03464	2.5
407.33026	7.2
425.34161	13.2
435.32196	4.7
443.35199	38.8
453.33923	7.5
471.34912	14.0
489.35587	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	489.3574
Annotation	Madasiatic acid
Peak:m/z	Relative Intensity
55.05498	2.5
63.95608	1.2
67.05495	6.8
69.07065	5.5
70.41866	2.8
70.42264	2.2
79.05497	6.8
81.07056	15.0
83.04921	1.2
83.08604	2.7
91.05466	7.8
93.07045	12.2
95.08604	21.2
97.06544	1.5
97.10159	1.7
105.07029	15.4
107.08585	18.8
109.06549	1.6
109.10156	10.8
111.08092	2.7
116.95181	1.4
117.07023	2.8
119.08575	18.1
121.06432	1.3
121.10143	14.4
123.08054	4.8
123.11693	4.1
125.09605	1.5
129.06961	1.8
131.08560	8.4
133.10135	13.6
135.08038	2.7
135.11673	6.0
137.09599	1.6
143.08582	2.2
145.10126	17.6
147.11700	13.3
149.09570	3.1
149.13281	6.5
157.10106	3.4
159.11717	11.2
161.13297	10.6
163.11194	3.0
163.14848	6.7
167.03468	1.4
171.11681	4.8
173.13286	8.3
175.14882	8.8
177.12788	2.4
177.16389	5.1
179.03322	1.7
183.11745	1.6
185.13255	4.3
187.14766	15.5
189.16336	7.1
191.14221	2.1
199.14824	2.9
201.16371	21.3
203.17996	7.1
205.15851	24.9
207.13818	1.2
207.17416	2.1
213.16309	2.5
215.17932	3.8
219.17438	2.8
223.16847	7.1
225.16551	2.5
227.17976	2.4
229.19572	1.5
231.17493	2.3
235.17079	2.7
241.19493	3.4
243.21118	1.7
247.16942	5.1
253.19598	1.4
255.21098	4.6
269.22705	2.0
301.21490	2.9
347.25742	3.9
373.27292	4.2
383.33588	1.2
389.31839	2.4
395.29602	2.7
407.33020	5.5
423.32401	2.0
425.34329	5.9
435.32715	5.0
443.35199	100.0
444.35541	4.9
453.33585	4.3
471.34628	3.5
489.35461	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	489.3574
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.73463	6.9
55.05507	21.2
57.07074	8.7
67.05506	33.9
69.07054	23.7
69.48695	36.4
69.49101	18.2
79.05473	27.2
81.06647	7.7
81.07063	68.2
83.05002	9.0
83.08615	11.8
91.05466	35.6
93.07031	56.2
95.04951	11.9
95.08607	100.0
105.07023	74.1
107.08582	92.1
109.10146	48.5
117.07025	17.4
119.08589	84.1
121.06503	16.2
121.10159	61.9
123.11697	16.1
126.12710	8.0
131.08557	54.6
133.10146	48.0
135.08076	10.2
135.11676	27.0
143.08560	12.4
145.10129	61.4
147.11681	33.4
149.13217	34.7
157.10124	16.3
159.11688	43.9
161.09648	10.1
161.13237	38.1
163.14815	31.2
171.11726	17.0
173.13217	57.0
175.11290	10.6
175.14839	50.3
177.16385	76.2
185.13185	9.2
187.14806	62.0
189.16348	32.3
191.14275	67.0
191.17905	17.5
199.14726	17.7
201.16373	22.2
203.14366	45.9
203.17958	67.5
205.15833	70.2
205.19481	12.6
211.79001	7.2
213.16339	12.0
215.17958	9.6
221.15413	42.3
229.15919	13.9
249.18483	15.2
266.96851	8.0
395.33072	14.0
407.33078	62.1
425.34058	27.1
435.32614	13.2
453.33414	18.0
489.34784	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	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.47884	0.7
55.05503	4.5
56.48333	0.7
60.09651	0.8
63.08646	0.9
65.03915	1.2
67.05502	11.1
69.07052	4.9
70.07869	4.1
71.42622	0.7
79.05478	6.0
81.06611	1.1
81.07053	19.3
83.08598	2.3
91.05486	6.4
93.07039	12.1
95.04951	2.9
95.07989	1.6
95.08601	28.6
96.08969	0.9
97.10149	2.8
105.06320	1.0
105.07021	19.1
107.08597	16.1
109.06496	3.6
109.10152	16.9
111.08044	1.9
111.11763	0.9
117.06994	2.2
119.08582	18.0
121.09239	1.0
121.10122	16.2
123.08044	2.5
123.11689	5.1
131.08548	8.7
133.10124	14.8
135.08044	1.7
135.11693	7.4
137.09604	2.1
143.08536	2.3
144.09334	1.5
145.09067	1.5
145.10110	15.7
147.11682	10.3
149.09610	1.4
149.13249	4.1
155.08502	1.1
157.10127	4.1
158.10925	1.3
159.11693	13.7
161.13226	10.6
163.11191	1.2
163.14752	4.4
169.10065	1.2
171.11656	2.9
173.13243	21.2
175.14812	69.7
176.15092	1.4
177.16377	2.5
179.03395	2.1
182.99966	0.8
183.11569	1.1
185.13217	2.5
187.14729	4.1
191.14278	2.3
191.17917	4.0
199.14830	1.4
201.12711	1.4
201.16371	17.4
203.17928	2.4
213.16283	2.0
215.14371	1.7
215.17871	6.0
217.19511	1.4
219.13811	4.2
219.17426	71.2
220.17743	1.5
227.17888	1.2
229.19498	2.2
233.15446	1.1
233.18997	1.8
237.14787	4.6
239.18187	0.9
241.19315	0.8
243.21262	0.9
255.21149	1.3
270.32111	0.8
270.58160	0.8
278.63226	0.9
307.14401	0.8
337.23553	0.9
425.34000	1.3
435.32446	2.8
453.33575	11.2
471.34680	100.0
472.35083	4.3
489.35828	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	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05502	7.2
57.07038	0.9
65.03913	1.1
67.05501	13.8
69.07069	9.2
70.07823	5.4
79.05485	10.2
81.07056	24.8
83.04967	1.5
83.08608	3.3
91.05475	8.2
93.07034	15.6
95.04964	4.1
95.08603	36.2
97.06536	1.5
97.10170	3.1
105.07024	31.4
107.08588	25.0
109.06506	2.8
109.10152	19.2
111.08087	1.3
111.11729	1.6
117.07011	4.8
119.08582	29.4
121.10132	18.8
123.07999	2.3
123.11716	5.6
125.05842	1.0
125.09598	1.6
129.06985	1.7
131.08554	13.7
133.10118	22.5
135.11679	13.9
143.08530	4.4
144.09273	2.1
145.10114	21.2
147.11682	13.6
149.05960	1.7
149.13251	6.7
157.10115	4.0
158.10860	1.7
159.11681	20.1
160.12204	1.3
161.13243	12.5
163.11147	2.4
163.14821	12.8
169.10124	1.3
171.11708	4.6
173.13254	32.0
175.14813	99.9
176.15158	1.4
177.16345	7.4
179.03349	1.6
185.13226	2.7
187.11246	1.6
187.14795	8.0
189.16357	5.0
191.14278	3.9
191.17960	6.1
199.14754	3.9
201.12761	2.9
201.16385	18.9
203.17978	8.7
205.19615	1.1
208.46751	1.2
209.13351	1.4
211.14799	1.7
213.16388	3.9
215.14366	1.4
215.17920	13.9
217.19586	1.8
219.14157	6.3
219.17419	63.3
220.17923	1.6
227.17943	4.6
229.19525	3.1
233.19014	3.0
237.14764	7.8
243.21014	2.2
247.16740	1.4
255.21245	2.5
269.22620	3.0
283.24280	1.7
389.32010	1.4
407.33096	3.1
425.34174	1.6
435.32370	4.7
441.33578	3.8
453.33707	24.5
471.34705	100.0
472.35031	4.2
489.35742	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	489.3578
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	1.8
55.05508	7.5
57.03418	1.7
57.07052	1.8
67.05505	12.3
69.03429	1.9
69.07066	7.7
79.05490	8.7
81.03408	3.5
81.07055	17.8
81.19498	0.9
81.70723	0.8
83.04966	3.2
83.08624	5.2
85.06530	1.2
91.05473	13.4
93.07034	15.3
95.04996	4.5
95.05484	0.9
95.08614	20.7
97.06541	2.0
97.10146	3.3
98.20673	1.4
103.05504	1.5
105.07036	17.1
107.04971	4.2
107.08587	20.8
109.06521	3.5
109.10151	12.0
111.04453	1.0
111.08054	2.4
115.05512	1.2
117.07037	4.1
119.08576	21.3
121.06487	2.7
121.10148	17.4
123.08051	5.4
123.11712	6.6
125.09602	2.2
129.06976	3.2
131.04897	1.3
131.08568	10.7
133.06488	1.1
133.10133	16.1
135.08066	2.6
135.11684	7.8
137.05959	1.1
137.09616	2.6
137.13219	1.5
139.07565	0.9
140.59705	0.7
143.08571	3.7
145.06441	1.2
145.10124	15.7
147.08005	1.0
147.11693	14.1
149.09595	3.5
149.13248	6.7
151.11206	2.4
153.09189	1.3
155.08589	1.3
157.10127	4.2
159.08142	1.2
159.11699	10.7
161.09723	1.1
161.13277	7.8
163.11180	2.2
163.14827	8.0
164.15062	0.8
165.09135	3.1
165.12749	1.8
167.06914	1.1
169.10124	1.8
171.11650	4.6
173.09554	0.9
173.13271	6.8
175.07539	0.8
175.11227	1.4
175.14825	6.8
177.12714	2.0
177.16379	5.4
179.10706	0.9
185.09528	1.0
185.13240	2.7
187.11214	1.3
187.14830	14.6
189.12709	1.4
189.16350	6.5
191.10667	1.7
191.14317	1.4
191.17952	1.5
197.13226	1.4
199.14821	5.0
201.16373	21.7
203.14255	2.0
203.17963	7.0
205.12199	1.4
205.15871	21.6
207.13843	1.0
209.11662	1.2
213.16440	2.6
215.14333	1.0
215.17928	3.7
217.15797	1.0
217.28580	1.0
217.67064	1.3
219.13812	1.0
219.17461	3.2
223.13286	1.7
223.16905	7.2
225.16344	1.2
227.17911	1.2
229.16019	1.0
229.19476	1.9
229.30551	0.9
231.17397	2.1
235.16881	1.2
241.19548	2.4
243.21112	1.4
245.15431	1.3
247.13260	1.6
247.16933	5.6
251.16483	1.2
253.19662	0.9
255.21010	5.5
257.22607	1.2
265.19406	1.1
269.22659	1.4
301.21579	1.4
303.23267	1.1
327.04993	1.8
347.25836	7.6
373.27383	5.3
389.32224	1.3
397.23660	1.7
407.33026	5.8
415.24600	1.2
425.34351	6.6
425.51874	1.0
435.32623	2.9
443.35223	100.0
444.35660	4.8
453.33469	2.6
471.34503	2.8
472.08920	1.1
489.09174	2.3
489.27951	7.2
489.35309	3.2
490.09583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03954	1.5
53.60484	1.2
54.60872	1.1
55.05501	6.9
57.07062	1.9
65.03939	1.4
67.00849	1.1
67.05506	17.9
69.03410	1.4
69.07074	7.7
70.55460	3.0
70.55826	1.8
71.04984	1.3
79.05488	11.0
81.07059	20.7
83.08617	5.8
83.12090	1.1
90.53300	1.1
91.05472	12.4
91.53768	1.2
93.07045	17.2
95.04975	3.4
95.08606	28.4
97.06538	2.7
97.10168	4.4
105.07037	20.4
107.08586	22.3
109.06512	4.0
109.10152	15.5
111.08080	1.6
117.07004	5.7
119.08574	22.6
121.06527	1.3
121.10139	17.2
123.08067	11.4
123.11698	4.4
125.09603	2.4
128.34828	1.2
129.07007	3.0
131.04924	1.4
131.08560	14.5
133.10127	15.7
135.08028	2.5
135.11697	9.9
136.21852	1.1
137.09615	4.8
137.13342	1.2
143.08580	4.0
145.10114	21.7
147.11681	13.2
149.09630	1.3
149.13261	4.6
151.11154	2.4
155.08496	1.4
157.10086	5.8
159.11661	14.7
159.12892	1.6
161.13243	9.0
163.11209	1.6
163.14893	6.0
165.12743	1.5
169.10172	1.4
171.11681	5.3
173.13252	18.9
175.14818	29.1
177.12781	1.7
177.16367	5.3
179.03375	9.2
181.04930	1.6
183.11659	1.9
185.13242	3.5
187.14813	8.5
189.12764	2.2
189.16356	3.8
191.14342	1.8
191.17929	1.5
197.04456	2.8
197.13251	2.9
199.14781	2.2
201.12764	1.6
201.16409	9.5
203.17903	7.1
205.15967	1.3
207.17496	1.5
211.14752	1.7
213.16367	3.4
215.14380	1.4
215.17912	13.6
217.19418	2.0
219.17468	5.6
227.17830	2.1
229.19687	1.4
231.06403	1.6
233.15306	1.8
233.19014	6.3
237.14838	1.6
251.14148	1.5
283.09702	1.8
286.84781	1.4
335.12790	1.9
361.23718	17.6
375.25186	16.4
379.29901	1.9
397.31015	2.4
415.31992	1.6
435.32468	3.8
441.33664	2.4
453.33679	14.2
471.34677	100.0
472.34888	2.3
489.25821	2.1
489.36053	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	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03951	1.4
55.01880	1.3
55.05510	14.9
57.03410	1.5
57.07062	3.5
65.03918	1.4
67.05500	21.9
69.03410	5.3
69.07064	20.5
71.04993	2.0
71.51395	2.6
79.05489	17.9
81.03390	3.9
81.07053	55.8
83.04971	9.8
83.08616	7.6
85.02898	2.8
85.06517	1.6
91.05476	25.2
93.07041	36.2
95.04996	7.0
95.08605	79.2
97.06526	5.2
97.10164	6.1
99.04446	2.3
99.08082	2.5
103.05452	2.2
105.07027	60.8
107.04931	3.4
107.08592	60.6
107.09316	3.2
109.02891	2.4
109.06503	5.6
109.10158	42.0
111.08070	4.1
111.11717	2.6
117.06999	9.5
119.04937	3.9
119.08575	61.8
120.08904	2.0
121.02885	8.5
121.06500	5.9
121.10136	44.3
123.04453	1.4
123.08043	7.5
123.11695	24.5
125.06073	2.0
125.09596	3.8
127.03893	2.4
129.06996	4.4
130.07761	1.6
131.04938	2.8
131.08568	41.0
133.06523	2.0
133.10124	47.9
135.08037	3.8
135.11687	21.6
137.05972	5.6
137.09567	4.7
137.13229	3.3
139.07532	2.7
142.07744	2.3
143.08528	10.1
144.09224	2.6
145.10117	58.7
146.10426	1.7
147.04391	3.4
147.08049	4.0
147.11684	49.2
148.12030	1.7
149.09612	5.7
149.13245	26.8
150.75282	1.4
151.03815	1.5
151.07520	2.4
151.11168	3.8
153.05539	1.7
153.09074	3.1
155.08565	1.8
156.09306	2.4
157.10130	16.3
158.10831	2.4
159.08052	1.7
159.11684	37.5
161.05965	1.5
161.09660	8.2
161.13249	26.0
163.07539	2.5
163.11223	6.5
163.14828	24.6
165.09126	8.4
165.12718	3.8
167.03517	2.0
167.07025	4.1
167.10680	3.6
169.10046	2.9
171.11707	9.6
172.12512	2.5
173.09662	2.3
173.13258	44.7
175.03880	4.3
175.11188	5.3
175.14815	42.1
177.12817	8.5
177.16371	53.5
179.14320	1.7
183.11690	2.5
185.13234	12.4
187.14809	66.0
189.05466	1.7
189.12794	5.1
189.16382	31.2
190.16644	1.6
191.14305	21.2
191.17918	11.5
193.15869	1.9
197.13200	2.8
199.14809	11.2
201.12726	3.3
201.16402	23.4
203.14336	24.8
203.17950	83.4
204.18208	2.8
205.15869	100.0
205.19183	8.8
207.06516	7.6
207.17455	2.7
209.05940	1.5
209.15331	2.8
211.14839	2.8
213.16331	12.4
215.14352	5.2
215.17918	5.3
217.15865	4.9
217.19490	3.5
219.13852	1.5
219.17406	6.8
219.20940	2.0
221.13385	1.9
221.15341	11.4
221.18951	2.0
223.16908	9.4
225.16460	1.8
227.17976	4.2
229.16000	2.7
229.19362	2.3
231.17418	4.9
235.16934	4.9
239.18102	1.6
247.13107	1.9
247.16930	3.9
249.18474	19.5
261.08282	1.5
327.04807	3.3
327.15982	2.1
377.31964	6.8
379.33344	8.0
389.32059	4.6
391.33521	1.8
395.33374	10.3
405.31677	1.8
407.33084	26.1
409.34708	2.7
423.32346	5.4
425.28995	1.8
425.34161	21.4
435.32690	14.0
441.33505	5.8
443.35236	4.9
453.33826	27.3
471.34674	4.3
489.08673	4.3
489.35971	8.7
490.09271	9.9
507.66776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05499	17.0
67.05486	21.2
69.07058	17.0
69.34413	4.5
70.05082	10.7
70.05481	11.9
70.49608	5.0
79.05472	21.0
81.07053	55.2
83.04935	9.5
86.57292	4.9
91.05473	22.1
93.07033	45.6
95.08603	89.5
97.10194	5.5
105.07030	70.4
107.08599	73.3
109.10161	45.9
117.07027	24.7
119.08576	69.1
121.06470	6.5
121.10126	52.0
123.08075	8.1
123.11678	12.4
127.33260	5.0
129.06973	5.4
131.08562	48.2
133.10126	57.5
135.11694	20.5
143.08539	10.4
145.10132	64.0
147.11662	40.6
149.13234	18.2
157.10106	14.9
159.11697	55.8
161.09566	8.4
161.13249	27.3
163.14810	19.3
171.11679	10.1
173.13240	59.3
175.14822	41.3
177.12793	8.5
177.16373	80.5
185.13310	11.3
187.14809	51.1
189.16388	29.3
191.14285	76.9
191.17912	17.8
197.13385	6.1
199.14836	9.5
201.16382	11.0
203.14282	50.7
203.17935	79.2
205.15874	100.0
205.19424	11.0
213.16440	10.0
215.17946	6.2
217.15897	10.0
219.17332	5.1
221.15369	31.4
221.44826	5.8
229.15868	11.6
233.18846	7.3
244.25595	5.5
249.18536	21.8
310.43323	6.8
329.24200	5.8
379.33481	9.1
389.31882	6.8
395.33081	12.0
407.33072	62.4
408.33084	6.8
424.86630	5.5
425.34106	39.7
435.32309	14.0
453.33383	23.1
471.34741	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	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.2
57.07062	4.3
67.05517	18.5
69.07060	18.4
69.41044	18.3
69.41464	10.1
79.05482	17.2
79.77656	3.7
81.03423	3.5
81.07053	47.7
83.04987	6.9
83.08604	8.4
91.05476	21.5
93.07050	27.4
95.04932	6.6
95.08604	69.4
97.10149	5.3
98.20771	6.7
105.07027	59.8
107.08593	46.3
109.10149	37.7
117.06994	9.5
119.08578	51.8
121.02825	5.9
121.10135	42.1
123.08083	8.0
123.11694	20.1
125.09615	4.5
129.06943	6.6
130.07758	4.0
131.08572	36.1
133.10130	42.8
135.08018	3.8
135.11714	19.3
143.08546	8.0
143.71783	3.5
145.10115	60.9
147.04449	3.5
147.11681	39.3
149.09651	6.3
149.13264	25.6
153.09024	3.5
157.10136	12.1
159.11700	33.5
161.09549	4.0
161.13211	24.3
163.07426	3.3
163.11111	6.4
163.14810	24.5
165.09119	8.4
165.12733	5.1
167.10698	3.6
171.11659	10.9
173.09764	3.7
173.13277	40.3
175.11191	5.8
175.14827	37.6
177.12698	5.9
177.16380	49.7
185.13223	9.1
187.14815	65.9
189.12762	6.9
189.16388	25.9
191.14307	23.2
191.17938	10.7
199.14841	14.9
201.12775	5.0
201.16400	19.5
203.14326	29.6
203.17943	81.4
205.15872	100.0
205.19511	10.9
207.06543	5.0
209.15312	4.2
213.16344	13.3
215.17847	6.2
217.15796	4.9
217.19472	5.6
219.17407	6.0
221.15503	16.5
223.16898	9.7
231.17513	5.0
235.16951	4.8
247.17146	3.8
249.18477	19.7
290.04572	3.3
308.12088	3.1
331.26883	3.3
371.41956	4.2
377.31931	4.6
379.33392	10.3
389.32037	7.0
395.33008	15.4
407.33057	29.1
423.32788	8.4
425.29007	4.0
425.33963	20.2
435.32593	15.0
435.80933	3.6
441.33469	8.4
443.35385	5.0
453.33804	27.1
489.35611	6.8
490.08972	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	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03932	4.8
55.05495	14.0
57.07070	3.8
57.51336	3.9
67.05499	37.2
69.07069	17.9
70.74442	11.4
70.74794	3.9
72.82592	3.6
73.12818	3.9
79.05494	23.1
81.03392	5.3
81.07053	52.9
83.08604	7.1
85.06552	4.6
91.05467	25.3
93.07036	38.1
95.04948	9.2
95.08597	65.2
97.10172	6.7
99.78470	3.5
103.05483	3.9
105.07024	51.3
107.00500	4.0
107.08590	46.7
108.12257	4.2
109.06512	10.5
109.10135	37.0
111.08086	5.0
112.15292	3.8
117.07001	9.0
119.08577	59.9
121.06480	8.8
121.10140	41.0
123.08121	4.3
123.11681	15.0
125.09610	9.0
131.08553	18.3
133.10133	45.6
135.08061	10.5
135.11684	23.2
137.09610	5.8
143.08536	8.7
145.10112	37.5
147.11699	31.5
149.06036	4.2
149.13255	14.9
151.07466	3.7
157.10129	9.9
159.11668	39.6
161.09583	4.9
161.13205	21.5
163.14833	10.2
167.03304	4.7
169.10135	5.8
171.11662	7.0
173.13260	34.1
175.14836	44.0
177.09212	3.5
177.16397	16.7
179.03410	6.5
182.57761	3.5
183.11716	5.9
184.12413	3.8
185.13271	9.1
187.14830	29.5
189.16370	23.7
191.14320	4.6
191.17876	5.6
197.13290	6.9
199.14783	11.1
201.12770	5.4
201.16368	22.9
203.17998	11.3
205.15897	8.2
207.17416	4.9
213.16417	8.0
215.17946	10.8
217.15988	4.0
219.13834	12.0
219.17448	74.3
229.19386	5.8
235.16866	6.1
237.14781	18.3
247.16895	4.1
397.30829	5.8
407.33063	12.8
425.34192	19.6
435.32626	11.4
443.35318	33.9
453.33810	17.8
471.34753	100.0
479.47174	4.2
489.36081	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.05505	5.6
57.03438	1.0
57.07072	2.1
65.03912	0.9
67.05512	9.7
69.07070	8.3
71.04987	1.1
79.05488	10.3
81.03422	1.1
81.07060	20.2
83.04967	2.2
83.08603	3.9
91.05484	10.5
93.06479	1.6
93.07046	18.8
93.13465	0.7
95.04959	2.5
95.08603	23.5
97.06525	1.8
97.10150	1.8
103.05481	1.8
105.07030	19.6
107.04950	1.1
107.08595	23.1
109.06524	2.2
109.10147	11.8
111.08101	1.1
117.07012	2.6
119.08578	24.9
119.09378	1.9
121.06504	1.8
121.10134	14.5
123.08054	5.4
123.11716	4.4
125.09634	2.0
129.07002	3.3
131.04929	3.5
131.08559	10.4
133.10135	18.1
135.08070	1.4
135.11670	8.4
137.09587	1.1
137.13222	0.9
143.08556	4.2
144.09265	1.0
145.10117	16.8
146.10767	1.4
147.11682	14.8
149.09641	1.7
149.13242	6.3
151.11208	2.1
155.08566	1.1
156.09430	1.1
157.10133	3.7
159.11707	13.5
161.13258	12.5
163.11249	2.8
163.14891	4.6
167.03456	2.3
169.10139	1.8
171.11684	4.9
173.13261	11.1
175.11227	1.1
175.14824	35.0
177.12689	1.5
177.16367	8.1
179.03397	27.7
179.04956	1.6
179.14207	1.4
183.11772	1.1
185.13252	3.5
186.13995	1.1
187.14827	12.1
189.12871	1.2
189.16399	8.9
191.14352	1.1
197.04478	4.1
197.13203	1.6
199.13254	0.9
199.14796	5.4
201.12758	1.1
201.16383	22.3
202.16721	0.9
203.14230	1.6
203.17981	7.3
205.15816	9.5
206.16194	1.0
211.14804	2.0
213.16290	4.8
215.17957	5.1
217.15808	1.1
217.19492	1.4
219.13873	1.8
219.17456	8.4
221.15335	1.1
223.16895	2.2
227.12691	1.1
227.18028	2.3
229.19545	2.5
233.15471	1.0
233.18971	1.7
235.16924	1.3
239.17830	0.9
241.19579	3.8
243.21083	2.7
247.16942	6.3
249.18449	1.3
253.19522	1.9
255.21124	5.6
257.22653	1.5
267.21036	1.1
269.22607	3.0
283.09586	8.6
301.21628	2.0
301.70343	1.0
303.23038	0.9
315.23447	1.5
329.24393	1.0
347.25873	5.0
367.19293	1.1
373.27271	3.0
389.32233	1.7
407.33093	5.7
423.32721	1.6
425.34070	3.7
435.32623	5.4
443.35202	100.0
444.35562	5.2
453.33661	5.7
471.25620	2.5
471.34692	11.7
489.27948	2.2
489.35440	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	489.357
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.27273	0.8
54.12593	0.8
55.05502	2.9
57.07063	1.1
67.05498	4.8
69.07064	4.9
70.07456	0.9
70.97498	2.0
79.05479	3.5
81.07049	7.7
83.08599	2.9
91.05470	4.8
93.07032	8.4
95.08601	12.6
97.06566	1.1
97.10168	1.5
105.07023	9.8
107.08587	14.3
109.06502	2.3
109.10152	9.3
111.08054	0.9
112.31382	0.7
117.07006	2.6
119.08563	12.4
121.06519	1.5
121.10133	12.2
123.08037	3.3
123.11686	3.5
127.74377	0.9
131.08534	6.0
133.10123	11.7
135.08014	2.5
135.11670	6.5
137.09543	1.1
137.13181	1.0
143.08574	2.1
145.10112	11.3
147.11662	9.0
149.09641	2.1
149.13235	6.3
151.11211	1.5
151.81767	0.9
156.88220	0.8
157.10106	2.1
159.11679	7.5
161.13219	4.9
163.11122	1.3
163.14835	7.5
171.11732	2.2
173.13214	5.1
175.14821	9.9
177.12733	1.5
177.16405	6.6
183.11681	0.9
185.13261	2.3
186.13853	1.1
187.14842	14.3
189.16348	3.7
191.17973	1.5
199.14799	3.5
201.14609	1.6
201.16364	19.0
203.17960	4.5
205.15865	19.0
206.53220	0.9
207.17426	1.2
211.14767	0.9
213.16377	2.6
215.17996	3.4
217.19431	1.0
219.17386	4.3
223.16910	5.9
227.17934	1.3
229.19432	1.3
233.15257	1.5
233.19043	1.2
241.19615	1.6
243.21036	2.2
247.16943	4.9
255.21033	3.5
257.22507	2.1
269.22717	1.3
275.34656	0.9
301.21646	1.6
303.23145	1.6
315.23068	1.4
347.25742	4.3
373.27371	3.6
389.32083	1.8
407.33115	4.4
425.34320	5.2
435.32486	3.5
443.35184	100.0
444.35489	5.4
453.33517	3.4
471.34619	7.3
489.35571	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	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.2
50.75640	1.0
51.02383	1.5
53.03944	10.9
55.01869	13.9
55.05511	33.8
57.03441	6.0
57.07067	2.0
58.67071	1.1
59.04982	4.1
62.65031	0.9
65.03944	5.6
67.05504	67.8
67.91161	1.2
69.03417	3.5
69.07071	15.1
69.75446	2.9
69.75859	3.1
71.01368	2.3
71.05000	8.9
73.06541	1.4
77.03916	1.8
79.05492	100.0
79.92840	1.0
81.03419	25.2
81.07055	65.2
83.01327	7.3
83.04982	29.4
83.08616	16.8
85.02903	5.0
85.06527	3.4
86.47160	1.0
91.05481	76.1
92.05775	1.7
93.07040	90.8
95.04966	32.3
95.08601	41.1
96.08897	1.1
97.02872	2.3
97.06528	9.8
97.10158	4.6
98.21405	1.9
99.04457	2.2
103.05471	3.1
105.04504	2.6
105.07029	58.0
107.04954	18.6
107.08590	31.9
109.06514	14.5
109.10152	7.0
111.04428	3.9
111.08085	4.4
115.05473	1.6
117.06221	2.0
117.07014	22.0
119.08582	37.9
121.06507	9.1
121.10136	15.8
123.04455	1.4
123.08071	16.2
123.11730	2.0
125.06005	1.7
125.09638	4.2
127.07566	2.1
128.06223	4.9
129.05521	1.5
129.07001	20.0
130.07787	1.9
131.08563	9.9
133.06461	3.2
133.10130	15.5
135.08037	4.8
135.10867	1.4
135.11703	16.0
137.09569	2.1
139.07527	1.8
139.11179	2.2
141.06981	2.3
141.09129	1.0
142.07733	0.9
143.08533	8.8
145.06439	2.2
145.10121	27.4
147.07994	4.9
147.11688	40.6
149.09647	2.6
149.13217	2.2
151.07529	1.2
151.11195	1.9
153.12753	4.3
155.08513	2.8
156.09331	1.7
157.10109	3.0
159.11707	3.9
161.09598	6.6
161.13246	14.6
163.11176	29.8
164.11517	1.2
165.09099	1.7
169.10179	2.2
171.10278	2.2
171.11690	30.7
173.09602	5.1
173.13289	1.6
175.07208	1.3
177.12743	1.2
178.07878	1.1
179.03323	5.5
181.12222	4.6
185.13284	1.4
187.14728	1.9
189.12727	12.0
189.16393	2.4
191.10654	4.3
202.95238	1.1
205.15900	1.8
207.13800	32.3
209.11684	7.9
225.14948	3.1
227.07080	2.0
227.12778	4.2
265.14261	1.7
281.17517	3.2
283.15289	1.3
305.67700	1.2
379.22467	1.5
443.35117	2.7
453.33438	1.7
471.27225	6.2
471.34094	2.1
489.28381	65.5
490.28537	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	489.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.55706	0.4
55.01867	1.0
55.05513	2.1
57.03443	0.6
57.07056	0.7
59.04989	0.5
65.03931	1.1
67.05505	8.9
68.99751	0.4
69.07057	1.2
70.43117	1.4
71.04987	0.4
73.06555	0.6
77.94780	0.4
78.72629	0.4
79.01852	1.1
79.05494	4.8
79.27155	0.4
79.71568	0.4
80.69406	0.3
81.07051	5.3
83.04958	0.8
83.08617	1.5
85.04658	0.3
85.06550	0.6
87.04484	0.6
88.82787	0.4
91.05483	3.9
93.07039	4.8
95.04952	2.5
95.08617	4.6
97.06537	0.4
97.10156	0.6
103.05438	3.1
105.03425	0.5
105.07024	4.4
107.08604	3.2
108.02072	0.5
109.06507	0.8
109.10146	5.9
111.04475	0.7
111.08124	0.5
113.02364	0.9
117.07019	1.3
119.08562	3.9
121.02871	0.8
121.10145	3.0
123.04453	0.9
123.08003	0.4
123.11685	0.6
125.02349	0.4
129.07022	0.5
131.03403	1.5
131.04922	8.4
131.08585	2.1
133.10127	2.3
135.11671	1.6
143.08522	0.5
145.10139	2.8
147.08000	0.5
147.11711	2.2
149.13229	0.6
151.03889	2.0
153.05533	0.9
157.10141	0.8
159.11703	1.9
161.02339	0.5
161.13277	1.3
163.14833	0.6
166.00641	0.5
167.03409	2.3
167.08629	0.4
171.11671	0.8
173.11739	1.5
173.13260	1.4
175.14784	2.5
177.05441	0.6
177.16302	0.7
179.03389	100.0
180.03764	1.5
181.04973	0.9
185.13174	0.5
187.14879	0.8
189.16454	0.7
193.04907	1.1
197.04462	26.2
199.14998	0.7
201.16428	1.8
203.03372	2.8
205.04941	1.2
215.17943	0.4
219.17430	1.9
221.04427	0.7
225.42650	0.4
241.08614	0.7
261.22144	0.4
269.08203	0.4
271.09604	1.2
281.08014	0.4
283.09644	34.8
284.09988	0.5
295.09531	0.6
307.09631	3.1
309.90860	0.4
311.09351	0.5
327.05005	0.5
367.19165	2.3
377.26666	0.5
397.30988	1.0
443.34897	0.7
453.33920	0.6
471.25293	9.3
471.34717	3.0
489.26337	4.8
489.35599	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	489.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.05504	0.3
57.03415	0.5
67.05484	0.3
69.03433	1.1
69.07047	0.3
70.55606	0.5
70.55977	0.5
81.03426	0.5
81.07047	0.5
83.04976	0.3
85.02889	1.3
91.05450	0.6
93.07024	0.7
95.04921	0.3
95.08602	0.5
97.02869	0.7
105.07003	0.7
107.04951	0.4
107.08572	0.7
109.10138	0.7
111.04427	0.3
117.09113	0.4
119.08612	0.4
121.02814	0.4
121.10132	0.9
123.04449	0.2
127.03886	0.8
131.08612	0.2
137.05968	0.4
137.09616	0.4
139.03896	3.8
145.02788	0.3
145.04965	0.4
145.06435	0.4
147.04396	0.7
149.09581	0.4
151.03854	0.3
152.06198	0.8
153.01807	0.9
153.06998	1.9
157.06544	0.3
163.05431	0.6
165.06973	0.4
165.09070	1.4
173.02364	0.4
175.07559	0.3
179.03380	1.7
181.04977	0.4
181.06458	4.7
185.06068	0.3
191.04903	1.1
193.06578	0.3
197.05952	1.3
199.07591	0.3
209.05968	4.0
219.04396	0.7
225.05458	2.7
227.07013	0.5
237.05452	22.5
238.05817	0.7
253.04950	3.3
255.06512	4.5
257.04550	0.5
263.03473	0.5
265.04956	26.5
266.05594	2.1
280.03671	5.0
281.04425	7.2
282.04901	0.6
283.06003	1.0
291.02823	0.3
299.05667	0.3
309.03928	6.6
310.04617	0.3
327.04974	100.0
328.05353	3.0
489.10336	6.0
489.22357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01852	0.8
55.05497	2.1
57.07064	0.7
60.89114	0.5
65.03926	0.9
67.05499	3.8
69.07057	2.5
69.26541	0.5
69.26871	5.6
79.05502	3.1
81.07049	6.0
83.08593	1.8
91.05475	7.1
91.53445	0.4
93.07041	5.3
95.04978	2.4
95.08614	9.0
97.06452	0.7
103.05463	0.6
105.07031	6.2
107.08588	6.9
109.06532	0.9
109.10157	7.8
111.08050	0.7
117.07011	1.5
119.08574	6.8
121.10135	6.2
123.11705	1.9
125.06001	0.7
127.11214	0.7
129.07037	1.2
131.04910	1.8
131.08554	3.0
133.10133	5.5
135.11678	3.5
138.03090	2.0
141.05525	0.5
142.07765	0.9
143.08533	1.3
145.10092	4.3
147.11703	3.8
147.64119	0.5
149.13269	2.2
153.05429	1.2
155.08609	0.9
157.10136	1.4
159.11684	3.3
161.13261	2.6
163.14793	1.5
166.02641	1.6
167.07071	3.3
167.08258	0.6
171.11690	1.1
173.13216	3.1
175.14835	6.4
177.16394	4.6
178.07750	0.6
179.03429	1.1
181.04945	100.0
182.05257	2.8
183.06496	1.7
184.03580	2.5
185.13322	0.8
187.14806	2.8
189.16370	5.2
191.17848	0.8
197.13199	0.7
199.14714	1.1
201.16367	4.6
203.17967	3.7
205.15779	1.1
209.08084	1.9
213.16280	0.7
215.17946	2.0
219.17435	1.4
227.17865	0.7
233.19130	0.9
243.21011	0.7
249.18643	0.7
283.24216	1.0
285.11194	0.6
295.24371	0.6
297.25778	1.2
305.22562	1.7
333.22165	1.5
351.30356	0.9
357.27832	0.7
391.33569	4.8
409.34692	5.2
419.32996	0.9
437.34140	1.8
441.33533	1.5
451.35828	6.0
469.37433	3.4
487.28271	2.5
487.35974	2.7
488.29269	0.6
500.54086	0.6
513.45673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05499	2.4
57.07074	1.0
66.92182	1.0
67.05499	4.4
68.31527	1.0
69.07061	5.9
75.55346	1.0
79.05486	3.5
81.07056	11.7
83.08616	3.1
91.05492	5.3
92.22194	1.1
93.07034	8.4
95.08603	11.6
98.20634	2.0
105.07022	10.8
107.08597	15.3
109.06493	1.7
109.10146	7.6
111.08157	1.2
117.07044	1.5
119.08576	11.9
121.10142	10.7
123.08036	2.4
123.11684	2.3
125.09645	1.3
129.06987	1.2
131.08543	6.9
133.10135	9.9
135.07999	1.9
135.11674	5.9
137.09673	1.4
137.13263	1.5
141.07068	1.0
143.08553	2.0
145.10117	9.9
147.11655	7.1
149.09608	2.6
149.13226	7.0
157.10133	5.0
159.11665	8.0
161.13278	5.0
163.11191	1.2
163.14819	14.6
171.11630	5.3
173.09619	1.2
173.13193	6.9
175.14825	10.0
177.16362	7.4
183.11584	1.8
185.13266	4.1
187.14819	12.8
189.16385	4.1
191.14322	1.7
197.13234	3.9
199.14851	2.3
201.16403	6.5
203.14334	4.0
203.17944	2.1
205.15869	23.4
211.14853	1.6
213.16360	4.3
215.14423	1.6
215.17972	1.9
219.13710	1.5
225.16403	1.7
227.17896	1.7
231.17307	2.8
235.16930	2.5
239.17992	1.8
241.19461	1.5
245.15372	1.6
247.16783	1.3
249.18526	3.2
253.19487	4.5
273.18747	1.4
281.08115	1.2
291.19507	1.6
387.30420	3.9
405.31467	7.0
423.32602	17.6
424.32538	1.3
441.33618	100.0
442.34009	2.9
451.32114	1.7
469.33008	4.0
487.34549	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	487.3415
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
50.39804	0.9
52.61641	0.9
53.03934	1.7
55.05516	6.4
57.03445	1.1
57.07062	2.6
67.05514	7.8
69.03432	4.8
69.07071	10.2
69.47006	7.6
79.05493	7.5
81.03420	3.3
81.07059	21.1
83.04987	3.6
83.08614	4.7
85.02914	2.5
85.06538	2.6
91.05481	9.1
93.07037	13.6
95.04971	4.7
95.08611	27.2
97.02895	1.9
97.06517	2.9
97.10153	2.5
98.18943	1.0
99.08073	1.6
103.05441	1.1
105.07032	22.2
107.04955	1.7
107.08587	21.1
109.02902	1.9
109.06532	2.9
109.10159	14.9
111.08096	3.8
117.07041	3.4
119.08579	27.5
121.06502	2.6
121.10146	17.9
122.10424	1.1
123.08083	3.3
123.11692	7.2
125.09634	2.8
127.03895	1.8
127.11184	1.4
129.06985	1.8
131.04945	1.2
131.08569	11.8
133.06494	1.7
133.10132	19.1
134.10493	1.1
135.08080	3.6
135.11700	8.1
137.06065	1.2
137.09593	3.1
137.13364	1.1
139.11246	2.1
141.07048	1.8
141.44673	1.0
142.07817	1.5
143.08609	5.4
144.09340	1.0
145.10150	12.2
147.08072	2.7
147.10658	1.5
147.11702	15.0
149.09639	4.6
149.13278	6.3
151.07584	1.2
151.11214	3.3
153.07074	1.2
153.09076	1.8
155.08594	2.5
157.10139	7.3
159.08081	2.0
159.11662	11.0
161.06021	1.1
161.09656	4.4
161.13271	6.8
163.07553	1.9
163.11198	2.6
163.14790	5.0
165.09120	2.0
165.12752	1.0
167.10715	1.3
169.10182	2.3
171.11708	6.6
173.09613	2.1
173.13289	10.3
175.07565	1.6
175.11243	3.3
175.14784	11.8
177.09142	1.2
177.12820	2.2
177.16397	3.0
179.14323	0.9
183.11765	2.5
185.13237	5.6
187.14813	11.6
188.15205	1.1
189.05508	3.4
189.12747	2.7
189.16385	20.6
191.14334	4.1
191.17952	1.9
193.15854	2.3
196.52066	1.0
197.13274	3.6
199.14830	7.6
201.05585	1.0
201.12820	1.3
201.16452	6.3
203.14363	3.1
203.18007	2.3
205.15907	4.1
207.17416	1.6
209.13353	1.4
209.15204	1.0
211.14876	3.3
213.05553	1.3
213.16426	4.1
215.14334	4.2
215.18045	3.3
217.15839	11.6
227.17909	2.0
229.15916	2.1
229.19551	2.6
231.17587	2.0
233.15387	2.9
235.16861	5.9
243.21162	1.6
247.17038	3.8
251.16443	3.9
253.19580	2.7
257.19174	1.3
271.20639	3.5
285.22296	1.0
293.21289	1.5
299.20087	1.3
303.18967	1.2
310.14264	1.1
405.31473	4.9
423.32700	6.6
433.30936	2.8
441.33826	11.2
442.34857	1.4
451.31973	2.9
469.33972	4.7
487.34256	100.0
488.34625	3.9
502.19971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.59784	2.7
55.05509	17.3
57.07072	4.4
63.89630	2.9
64.41689	2.5
67.05509	14.2
69.03415	4.0
69.07051	14.0
76.88610	2.8
79.05478	18.0
81.07056	31.7
83.04966	8.2
83.08627	7.5
84.42675	2.5
91.05464	20.7
93.07047	34.6
95.04968	5.7
95.08604	54.5
97.06525	8.2
105.07030	51.5
107.04920	2.7
107.08583	49.4
109.06523	6.3
109.10165	31.9
111.08102	5.9
112.10787	2.9
117.07009	10.2
119.08575	88.3
121.06530	10.6
121.10136	40.1
123.08036	8.0
123.11702	7.7
128.02008	3.2
129.07060	3.7
130.07834	3.0
131.08560	43.5
133.10132	65.4
135.08023	11.6
135.11700	15.5
139.07532	4.0
142.07761	5.0
143.08562	14.7
145.10120	63.6
147.08003	4.4
147.11679	33.8
149.09654	6.1
149.13239	10.7
153.09134	5.2
156.09309	6.6
157.10114	25.7
158.10884	6.0
159.11678	51.5
161.09615	7.0
161.13274	18.9
163.07559	3.9
163.11220	4.2
163.14815	25.1
169.10097	8.3
170.10947	4.0
171.11671	17.1
173.13246	53.0
174.26993	3.1
175.11263	9.0
175.14835	26.4
177.09061	6.6
177.12659	5.2
177.16374	10.0
183.11690	5.6
184.12592	5.3
185.13223	12.6
187.14801	71.2
189.12761	5.2
189.16360	52.8
191.14302	100.0
191.17915	16.5
195.05746	3.3
197.13248	3.4
199.14824	27.8
201.12990	2.9
201.16385	39.3
203.14330	28.2
203.17882	15.3
204.32391	3.4
205.15891	25.0
205.19476	3.9
207.17453	6.2
210.75348	3.2
211.14909	5.6
213.16412	11.0
214.88280	2.9
215.14267	4.4
217.15863	21.2
221.15341	9.5
223.26698	3.1
227.17938	3.9
229.15936	6.2
229.58925	3.8
231.17438	5.5
235.16933	36.3
247.16982	29.4
249.18535	5.6
285.10049	4.0
321.57089	3.5
393.31448	3.6
405.31482	17.5
421.30884	5.8
423.32635	9.0
433.30713	8.3
441.33621	9.5
451.32114	21.9
468.32242	3.0
469.33078	10.5
487.34430	17.3
488.08704	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	487.3415
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
51.44393	0.4
53.03919	0.8
55.05503	2.9
57.07058	1.1
59.04963	0.4
65.03928	0.4
67.05492	4.4
69.03421	0.5
69.07062	5.5
71.04965	0.6
73.97935	0.4
79.05482	4.6
81.06597	0.8
81.07049	11.8
83.04991	1.0
83.08601	2.4
83.28368	0.4
87.04459	1.3
91.05472	4.3
93.07030	7.4
95.04954	1.4
95.08597	12.9
97.06513	1.3
97.10149	1.0
98.20731	1.0
103.05446	0.5
105.07020	9.8
107.04980	0.5
107.08586	11.6
109.06512	4.9
109.10140	8.0
111.08043	0.8
117.07000	2.1
119.08566	20.3
120.08907	0.6
121.06503	0.9
121.10136	9.6
123.08076	2.2
123.11713	2.8
125.09611	0.7
129.06972	1.3
131.04935	0.7
131.08546	6.9
131.09471	0.3
133.06429	1.1
133.10126	10.0
133.17816	0.4
135.08012	2.3
135.11682	5.0
137.09581	2.6
137.13229	1.1
139.07457	0.4
141.06915	0.6
142.07787	0.8
143.08549	4.1
145.06483	0.5
145.10114	10.0
147.08035	1.8
147.11671	7.0
149.09596	2.8
149.13258	4.3
151.11226	0.7
151.14731	0.5
155.08540	1.0
156.09364	1.1
156.41260	0.4
157.10110	5.8
158.10954	0.8
159.08083	0.6
159.11674	8.6
161.09599	2.6
161.13216	4.0
163.07495	0.6
163.11139	2.0
163.14796	5.0
165.12709	2.4
169.10136	2.0
170.10928	0.9
171.11667	4.8
173.09642	0.7
173.13225	5.8
175.11244	0.7
175.14803	14.2
177.12794	0.5
177.16376	6.7
179.03398	0.8
181.04958	1.2
181.10092	0.5
183.11664	3.0
184.12483	0.6
185.13223	5.5
186.13756	0.4
187.11171	0.9
187.14793	11.3
189.12762	1.6
189.16376	2.6
191.14249	1.1
191.17937	1.2
193.10211	0.4
193.12183	0.6
193.15903	1.2
195.11646	1.1
197.13242	2.0
199.14792	4.8
201.16357	9.9
203.14288	23.9
203.17737	1.9
204.14594	0.7
205.15852	8.4
207.11737	0.5
209.13197	1.1
209.57686	0.4
210.13960	0.6
211.14809	2.4
213.16336	4.1
215.14375	1.2
215.17924	1.9
217.15805	1.9
219.17441	1.4
221.13348	0.6
221.15286	2.0
223.14787	1.2
225.16423	1.3
227.17892	1.8
229.15916	0.9
229.19522	0.8
231.17386	2.4
233.15437	1.2
235.16908	3.7
237.16313	0.9
239.17953	1.4
241.15849	0.4
241.19557	1.8
243.17296	0.6
243.21092	0.7
247.16888	3.0
249.14673	2.5
249.18582	1.0
251.18073	1.0
253.19489	2.7
255.17558	0.4
255.21094	2.8
258.06021	0.4
259.20480	0.7
261.18564	0.6
263.18002	0.8
267.21091	0.7
269.19028	1.0
269.22745	0.7
271.20407	0.9
273.18533	1.1
275.20212	0.5
277.19568	0.4
279.21161	0.8
283.20773	0.5
285.18597	0.5
287.20050	0.6
291.21054	0.5
295.20798	0.5
295.24243	0.9
297.21762	0.5
299.20053	1.5
301.21741	0.7
307.24084	0.9
309.21939	0.7
313.21475	0.7
317.22479	0.4
325.25269	0.5
327.23093	0.5
333.25858	0.6
337.28894	1.3
345.24341	0.9
347.27277	1.1
365.28476	0.6
371.25848	1.6
383.29416	1.0
387.30319	3.7
395.33084	1.1
405.26651	0.8
405.31497	7.9
409.30991	0.7
423.32550	19.1
424.33026	1.0
425.34094	0.6
433.30975	4.0
441.33597	100.0
442.33997	2.5
451.31976	5.2
469.32999	4.5
487.34247	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	487.3415
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
53.03938	0.7
55.05501	2.5
57.03431	0.5
57.07051	1.2
57.85629	0.5
61.02921	0.5
67.05496	4.6
69.07067	3.8
69.41950	1.8
69.42376	2.4
79.05494	4.2
81.03385	1.0
81.06599	0.8
81.07050	11.5
83.04983	2.9
83.08614	2.2
91.05476	4.5
93.07030	9.3
95.04944	2.2
95.08601	13.1
97.06510	1.1
97.10176	0.8
103.05482	0.6
105.07020	12.9
106.80913	0.5
107.04954	1.0
107.07883	1.0
107.08586	14.9
109.06509	1.7
109.10143	6.4
111.08130	1.3
113.10346	0.5
115.05427	0.7
117.07007	2.8
119.08576	15.3
121.06510	1.2
121.10139	11.1
123.08061	5.1
123.11680	3.2
125.09638	0.6
128.06197	0.7
129.07002	1.2
131.08545	8.6
133.06485	0.5
133.10121	11.5
135.08037	1.7
135.11694	4.8
137.09612	1.2
137.13245	1.1
142.07767	1.1
143.08557	3.7
145.10114	13.6
147.08000	0.9
147.11690	10.3
149.09631	2.2
149.13266	3.8
151.11105	0.6
153.09158	1.0
155.08482	1.1
156.09337	0.7
157.10158	3.6
159.11696	8.8
161.09587	1.1
161.13239	6.6
163.11182	1.3
163.14792	5.7
170.10825	0.6
171.11693	3.0
173.13263	8.3
174.13657	0.8
175.11220	1.3
175.14803	13.1
177.12733	0.8
177.16382	4.2
181.10133	0.8
183.11649	1.4
185.13234	4.2
187.11176	0.5
187.14807	13.1
187.16473	0.8
189.12747	0.6
189.16382	4.2
191.10666	0.6
191.14308	4.6
191.17958	1.2
193.12183	0.8
193.15698	0.5
195.11797	0.6
197.13287	1.4
199.14818	3.0
201.16371	13.2
203.14296	8.2
203.16042	0.8
203.17879	3.5
205.15868	12.1
209.13428	0.9
211.14853	1.4
213.16386	2.1
215.17947	2.2
217.15886	1.1
219.13876	0.8
219.17409	5.8
221.15349	6.1
224.13179	0.6
225.16420	1.3
227.17955	0.7
229.15834	1.0
229.19412	0.9
231.17526	0.7
235.16956	0.9
239.17949	0.8
241.19504	2.6
243.21127	1.7
247.16968	1.7
249.14725	1.0
253.19627	1.0
255.17638	0.6
255.20978	3.3
257.22598	1.0
269.18835	0.7
269.22607	1.2
281.19263	0.7
287.20020	1.4
301.21576	1.7
345.24243	5.9
371.25790	5.3
387.30463	0.9
405.31555	6.5
423.32709	5.3
433.31027	1.4
441.33612	100.0
442.34009	3.7
451.32065	10.8
469.33231	3.4
473.67990	0.7
487.08035	0.6
487.34464	8.7
488.08923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05491	3.4
67.05479	3.7
69.07048	4.9
69.74555	2.4
69.74973	5.2
79.05477	3.5
81.03427	1.8
81.07057	12.0
83.08617	2.0
91.05476	3.1
93.07043	9.1
95.08604	12.4
97.06536	1.4
105.07024	9.0
105.13004	1.4
107.08588	12.8
109.06473	1.4
109.10149	7.6
112.62357	1.3
117.07029	2.3
119.08585	11.3
121.10133	11.0
123.11705	2.2
125.09566	1.2
129.06970	2.4
131.08569	7.3
133.10094	7.1
135.08032	1.7
135.11659	5.4
137.09622	1.6
143.08530	3.7
144.09322	1.2
145.10129	9.4
147.11674	6.7
149.09628	1.8
149.13243	8.7
157.10054	4.2
157.12257	1.2
159.11658	8.0
161.09612	1.5
161.13226	3.9
163.14810	14.5
165.12727	2.4
169.10109	2.0
171.11673	4.7
173.13258	5.0
175.14848	6.0
177.16406	7.3
178.85876	1.5
181.48082	1.2
183.11726	2.0
185.13205	5.1
187.14813	11.8
189.12762	1.4
189.16370	2.9
197.13095	1.4
199.14845	1.9
201.16382	5.1
203.14267	3.0
203.17865	1.8
205.15868	23.9
211.14874	2.3
211.98587	1.2
213.16357	4.2
215.17845	1.9
217.15807	2.5
227.17879	2.2
235.16838	1.4
241.19496	1.8
245.15488	1.4
253.19498	5.0
255.20992	2.3
273.18549	2.3
285.53293	1.3
291.19485	1.4
293.59653	1.4
343.86545	1.5
347.27353	1.6
372.92822	1.2
387.30405	3.4
405.31430	4.6
423.32559	16.0
424.32593	1.3
441.33597	100.0
442.33780	4.1
451.32205	1.6
469.33157	1.7
487.34726	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	487.342
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
55.01868	4.6
55.05511	26.3
56.51657	4.4
57.03423	7.5
57.07063	8.5
63.02270	4.3
67.05222	3.5
67.05508	36.2
67.39665	3.8
69.03411	15.1
69.07066	27.2
69.61045	3.8
71.01353	5.6
71.52869	6.0
73.22195	4.0
79.05501	25.0
80.05384	3.9
81.03419	10.8
81.07053	70.7
83.04961	12.6
83.08598	12.1
85.02882	7.9
85.06547	14.1
86.62188	4.3
91.05475	30.4
93.07045	53.9
95.04949	10.2
95.08602	100.0
97.02871	7.1
97.06524	7.6
97.10178	4.8
99.08014	6.5
103.05447	5.1
105.07023	42.8
107.04945	5.8
107.08580	65.4
109.02869	5.0
109.06510	9.3
109.10149	54.7
111.04504	4.5
111.08030	7.6
115.94473	4.4
117.07005	13.4
119.08579	69.7
121.06465	5.5
121.10151	46.2
123.04444	6.1
123.08036	9.1
123.11687	30.9
125.09599	13.2
127.03886	7.6
127.07529	5.4
129.07011	6.4
131.08531	20.9
133.06500	5.1
133.10110	45.3
135.08006	10.8
135.11688	28.6
137.05957	6.7
137.09595	11.2
137.13251	8.5
142.07797	5.5
143.08557	12.7
145.10121	49.7
147.08063	6.3
147.11671	32.5
149.09583	15.9
149.13246	17.0
151.11157	5.3
154.03392	4.8
156.09309	6.3
157.10141	32.8
159.08018	4.3
159.11697	54.0
161.09579	6.8
161.13217	18.3
163.07536	5.4
163.11185	10.3
163.14838	11.2
165.09099	15.8
165.12813	4.2
169.10083	5.6
171.11732	19.4
173.09616	4.7
173.13312	28.5
175.11194	8.5
175.14832	19.6
177.12712	4.5
177.16425	14.2
179.10625	5.1
183.11665	13.5
185.13229	22.3
187.11137	4.5
187.14822	47.4
189.12823	6.5
189.16365	15.1
191.18016	5.5
193.12216	14.8
195.11655	6.3
197.13203	7.8
199.14809	15.3
201.12744	4.7
201.16376	21.5
203.14366	5.1
203.17934	13.1
205.15862	5.8
209.13280	8.5
211.14925	5.9
213.16399	16.0
215.14351	7.2
215.17973	11.8
217.12204	11.5
217.15860	7.2
223.14777	5.4
225.16333	4.9
227.17828	8.3
229.16019	7.2
229.19505	42.5
231.17520	8.3
233.15364	6.6
235.16969	7.7
239.17938	6.4
241.19534	14.1
247.16898	6.5
249.18480	5.6
253.19534	13.4
255.20988	13.0
275.20139	7.1
287.20316	5.1
289.25278	8.1
301.21643	7.4
327.23123	11.7
353.24677	4.7
377.32025	9.4
405.31516	24.4
423.32611	41.7
433.30609	14.1
441.28012	6.8
441.33655	97.1
451.31839	15.6
469.28677	4.8
469.33038	16.0
487.06879	6.1
487.34363	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Actinidic Acid
Peak:m/z	Relative Intensity
50.03695	2.3
51.53179	2.5
55.05508	6.6
56.27944	2.6
63.79671	2.3
66.93233	2.4
67.05495	8.9
69.07068	8.0
69.21676	7.3
69.22095	19.0
79.05492	9.5
81.07063	23.8
83.04961	3.5
83.08611	5.4
91.05461	12.2
93.07043	15.5
95.08601	23.8
105.07032	34.9
107.08590	28.6
109.06514	3.2
109.10162	16.2
111.08028	2.5
119.08574	36.6
121.06532	2.5
121.10131	23.6
123.07960	2.6
123.11692	5.4
129.06996	3.3
130.07761	3.7
131.08556	13.7
133.10123	28.1
135.08076	4.0
135.11696	11.8
142.07767	4.5
143.08549	12.1
145.10100	30.9
147.11684	23.0
149.09618	2.4
149.13268	13.3
155.08588	4.8
156.09357	3.4
157.10149	15.9
157.11275	3.0
158.11057	3.4
159.11668	17.6
161.09587	4.2
161.13287	14.1
163.14917	13.5
169.10153	7.2
170.10927	5.1
171.11694	12.6
173.13257	24.3
175.11249	4.1
175.14821	26.2
177.16373	32.2
183.11688	6.0
185.13298	12.1
187.14793	47.6
189.12788	6.0
189.16399	29.7
191.14333	5.6
191.18001	3.6
193.15880	5.1
195.11749	2.6
197.13284	9.0
199.14894	11.6
201.12804	4.0
201.16364	13.8
203.14299	11.2
203.17905	13.9
205.15909	6.7
207.17659	3.2
209.13271	2.7
211.14803	4.8
213.16415	11.5
215.14377	6.9
215.18076	3.7
217.15895	11.2
225.16357	2.9
227.13979	2.8
227.18066	3.7
229.15852	4.2
231.17429	11.7
233.15388	4.9
235.16980	7.3
245.15486	3.3
247.17105	3.2
249.18529	18.1
251.16394	6.8
253.19615	3.0
267.19577	16.7
271.20560	4.9
387.30771	3.0
393.31686	3.8
403.29681	5.1
405.31555	17.8
423.32562	25.5
433.31137	7.4
439.31946	4.1
441.33734	30.9
451.32028	20.9
460.44031	3.5
469.33167	12.1
487.34201	100.0
488.34479	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	487.3417
Annotation	Actinidic Acid
Peak:m/z	Relative Intensity
55.05501	4.9
57.07071	2.1
67.05497	7.1
69.03427	2.2
69.07058	6.6
69.41536	5.7
75.14724	0.9
79.05494	5.1
79.46616	0.8
81.07052	14.3
83.04981	2.3
83.08598	2.8
91.05457	5.5
93.07043	10.5
95.04977	1.9
95.08608	20.3
97.06525	2.2
97.10159	1.4
104.88642	0.9
105.07024	19.0
107.08589	20.3
109.06511	2.6
109.10168	9.7
111.08080	2.2
117.06973	2.5
119.08582	24.3
121.06497	1.9
121.10145	18.3
121.10803	0.4
121.11024	0.8
123.08058	2.3
123.11697	4.6
125.09641	1.1
128.06195	1.7
129.07007	2.0
131.08560	8.8
133.10118	17.7
135.08040	3.6
135.11687	7.9
137.09622	1.7
137.13248	0.8
139.11092	1.2
141.06998	1.3
142.07794	1.6
143.08559	5.1
144.09279	1.5
145.10126	17.4
147.08058	2.1
147.11667	11.3
149.09625	3.3
149.13257	7.2
151.11185	1.9
153.09076	1.5
155.08614	2.7
156.09331	2.2
157.10112	11.3
158.10864	1.6
159.08089	1.2
159.11697	11.5
161.09624	4.3
161.13234	8.1
163.07547	1.5
163.11169	2.5
163.14828	9.2
168.09303	1.1
169.10162	3.9
170.10945	2.4
171.11659	6.3
172.12511	1.3
173.09633	2.1
173.13269	12.8
175.11169	2.3
175.14819	15.9
177.12669	1.0
177.16376	15.3
179.14294	1.1
181.10150	1.4
181.12263	2.0
182.10907	2.0
183.11676	5.4
185.13254	8.5
187.11230	1.9
187.14821	22.3
189.12767	4.1
189.16386	13.4
191.14302	2.6
191.17973	2.6
193.15860	4.0
197.13278	4.7
199.14841	6.7
201.12738	1.5
201.16385	7.7
203.14294	4.9
203.17926	6.3
205.15851	3.9
207.17381	1.1
209.13272	1.4
211.14870	3.8
213.12831	0.8
213.16418	4.8
215.14227	5.1
215.17914	1.9
217.15909	4.8
219.17432	1.9
221.15442	1.4
223.16872	1.5
225.16425	2.2
227.17995	2.2
229.15942	2.5
229.19478	1.6
231.17429	7.7
233.15373	4.0
235.16962	2.8
239.17899	1.2
241.15639	1.1
241.19551	1.1
243.17278	0.9
243.21147	1.4
247.17006	2.0
249.18507	8.4
251.16350	6.6
253.19540	2.0
261.18521	0.9
267.19525	6.9
271.20639	1.6
291.20193	0.8
319.24170	1.1
375.26236	0.9
375.30518	1.4
387.30472	2.8
393.31595	2.1
405.31546	9.3
421.31146	2.2
423.32520	14.4
433.31091	5.8
439.31973	1.6
441.33713	14.0
443.35373	0.9
451.32166	9.8
469.33374	7.2
487.34189	100.0
488.34561	3.9
503.94684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03938	0.5
55.00841	0.3
55.05505	2.7
57.07063	0.6
58.78388	0.2
59.04986	0.4
67.05500	3.0
69.03418	1.0
69.07066	3.5
71.04977	0.6
73.82658	0.3
79.05493	2.4
81.03403	0.5
81.07050	7.2
83.04977	3.8
83.08611	2.1
85.06539	0.6
87.04457	0.4
91.05470	2.5
93.07040	5.5
95.04955	1.8
95.08601	8.5
97.06523	1.4
97.10162	0.7
99.08100	0.7
102.73840	0.3
103.05446	0.3
105.07024	10.1
106.07352	0.3
107.04958	0.4
107.08586	8.4
109.02870	0.3
109.06500	1.7
109.10150	7.1
111.08073	1.2
113.05990	0.4
113.58529	0.2
115.05448	0.4
117.07030	1.1
119.08572	13.1
119.83334	0.3
121.06493	1.0
121.10139	8.3
123.08080	1.7
123.11684	3.2
125.05997	0.6
125.09628	0.8
127.03946	0.3
129.07021	0.9
131.08534	3.7
133.06415	0.4
133.10117	10.3
135.08040	1.7
135.11687	4.4
137.05949	0.4
137.09578	1.5
137.13269	0.8
139.07451	0.3
139.11154	0.5
141.07005	0.8
143.08551	2.7
145.06468	0.5
145.10106	6.0
147.08047	1.1
147.11679	4.7
149.09598	2.4
149.13245	2.6
151.07573	0.4
151.11182	1.6
153.09109	0.6
155.08522	1.6
156.09386	0.8
157.10115	3.9
158.07248	0.3
158.10957	0.5
159.08081	1.1
159.11690	3.4
161.09587	2.4
161.13257	2.7
163.07553	0.3
163.11215	1.2
163.14813	2.2
165.09087	0.4
165.12773	0.4
169.10126	1.6
170.10916	0.5
171.11668	2.5
172.12430	0.5
173.09625	1.2
173.13242	5.4
175.11212	1.0
175.14810	8.2
175.16319	0.5
175.23590	0.3
177.09100	0.3
177.12752	1.0
177.16394	2.4
179.10704	0.3
181.10121	0.4
182.10919	0.7
183.11674	2.0
185.13278	1.5
187.11221	0.5
187.14807	7.2
189.12897	1.5
189.16376	14.4
190.16760	0.5
191.10748	0.3
191.14337	1.5
191.17990	0.9
193.15886	0.8
195.11746	0.5
197.13214	3.4
199.14810	4.2
201.12743	0.8
201.16348	2.2
203.14337	0.8
203.18002	0.9
205.15880	2.1
207.13667	0.4
207.17516	0.7
209.15387	0.4
211.14861	2.1
213.16386	2.9
215.14294	3.8
215.18034	0.6
217.15865	8.1
219.13797	0.4
219.17262	0.3
221.13437	0.5
221.15370	0.6
223.14847	0.5
223.16998	0.7
225.16496	0.7
227.14438	0.4
227.17920	1.7
229.15935	1.2
229.19559	0.7
229.64172	0.4
231.17413	1.3
233.15331	2.2
235.16953	2.7
239.17929	0.8
241.19398	0.8
243.17384	0.7
243.21158	0.4
245.19009	0.9
247.16884	0.4
249.18565	0.3
251.16310	1.7
253.19508	2.5
255.21169	0.4
257.19028	1.1
261.14780	0.4
267.21320	0.3
271.20541	4.6
283.20667	0.4
299.20047	0.5
307.26318	0.5
317.21155	1.2
325.03345	0.3
340.36490	0.3
387.30591	0.8
405.31522	3.4
423.32590	4.2
433.30771	1.0
439.32297	0.3
441.33621	8.0
442.34027	0.3
451.32169	2.9
469.33282	2.5
487.34164	100.0
488.34412	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	487.3416
Annotation	Acerinol
Peak:m/z	Relative Intensity
51.52208	0.3
55.05504	2.2
55.05725	0.3
57.07066	0.7
59.04995	0.4
67.05511	2.8
67.07687	0.3
69.03422	0.6
69.07072	3.0
70.55709	1.0
71.04967	0.4
75.04056	0.3
79.05489	2.6
81.07047	5.8
83.04984	2.7
83.08605	1.3
91.05464	2.7
93.07040	6.4
95.04959	1.0
95.08600	9.6
97.06524	0.9
97.10154	0.5
98.21465	0.4
100.95280	0.4
105.06322	0.5
105.07024	9.9
107.08583	9.3
109.06527	1.7
109.10153	6.4
111.08086	0.9
111.11762	0.4
117.07026	1.5
119.08572	12.1
121.06515	1.1
121.10135	8.1
123.08035	1.1
123.11710	2.4
125.09641	0.8
129.06981	0.7
131.08543	4.2
133.10117	9.6
135.08060	2.0
135.11700	5.5
135.77504	0.3
137.09592	1.0
139.07549	0.5
142.07785	0.7
143.08543	2.9
144.09244	0.4
145.06487	0.6
145.10118	5.7
147.08025	1.1
147.11694	4.4
149.09589	2.2
149.13245	2.4
151.11143	0.9
153.09081	1.0
155.08563	1.4
156.09309	0.5
157.10130	3.5
159.08072	1.0
159.11671	4.2
161.09608	3.4
161.13242	2.6
163.07545	0.5
163.11241	1.4
163.14789	2.0
165.12662	0.4
169.10170	1.3
171.11745	2.6
172.12381	0.5
173.09625	1.3
173.13251	3.9
175.11244	1.3
175.14799	6.0
177.12764	0.7
177.16373	1.7
183.11696	2.1
185.13254	1.7
187.11159	1.2
187.14827	5.0
189.12817	1.8
189.16368	7.5
191.14285	0.8
191.17969	1.5
193.15981	0.5
195.11723	0.7
197.13202	1.9
199.14824	3.6
201.12730	1.4
201.16423	1.2
203.14388	1.2
203.17987	0.8
205.15880	1.7
211.14842	0.9
213.16408	1.5
215.14278	3.4
215.17923	0.9
217.15915	3.2
223.14835	0.5
223.16876	0.6
225.16425	1.0
227.18004	1.5
229.15941	0.8
229.19527	1.1
231.17447	0.6
233.15408	1.7
235.14812	0.5
235.16963	1.6
239.18127	0.5
241.19467	0.6
243.17432	0.5
245.15685	0.4
245.18945	0.5
251.16309	2.9
253.19547	1.2
257.19046	0.8
267.21243	0.5
271.20624	1.8
283.20639	0.7
299.20102	0.6
300.80698	0.4
317.20999	0.5
405.31659	3.2
423.32660	2.2
433.31186	1.8
441.33600	3.8
451.32074	5.0
469.33264	3.4
487.34161	100.0
488.34531	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55166	2.0
51.33508	2.3
52.23491	2.7
53.03955	2.6
54.94592	2.5
55.05508	12.6
57.07062	7.8
67.05503	19.6
69.03430	4.1
69.07070	23.8
70.17714	8.6
70.18082	4.5
70.78489	2.3
71.04983	2.2
79.05492	14.7
81.03426	2.6
81.07052	44.1
83.04988	5.0
83.08613	9.8
85.02908	10.1
85.06528	13.0
86.18319	2.3
91.05479	12.2
93.07047	22.1
95.04967	3.3
95.08605	55.7
97.02893	3.7
97.06504	4.5
97.10181	4.7
99.08092	12.7
105.07031	31.5
107.08591	35.8
109.10152	37.9
111.08076	4.4
113.09651	2.7
117.07009	5.1
117.98754	2.6
119.08574	29.9
121.06456	3.3
121.10152	28.5
123.08033	4.5
123.11688	14.8
125.09638	5.8
127.03914	3.7
131.08548	12.6
133.10130	28.2
135.11681	30.2
137.13283	4.5
143.08574	3.9
145.04929	2.5
145.10101	12.7
147.11656	21.4
149.09651	5.4
149.13252	31.5
151.14790	3.7
151.49347	2.6
157.10181	5.1
159.08131	2.3
159.11711	12.7
161.13237	22.1
163.14832	22.1
165.12740	4.2
171.08122	2.2
173.09538	2.5
173.13275	12.0
175.14830	21.9
177.16406	6.8
179.14301	9.9
187.14810	9.9
189.16350	15.5
191.18005	8.5
193.15913	5.9
199.14912	3.4
201.16386	8.1
203.17903	13.3
205.15845	5.5
207.17479	9.6
215.17957	10.3
217.15833	3.7
221.19016	19.2
223.14653	2.7
243.20975	3.7
245.22723	7.4
259.24231	3.7
260.07336	2.3
271.24219	23.9
275.08612	2.3
277.25253	35.4
289.25232	100.0
307.26328	26.9
325.05206	3.3
391.61108	2.4
405.31415	3.5
407.02933	2.7
438.09854	5.3
441.33521	5.8
451.31400	2.9
469.33316	3.4
487.07919	5.8
487.34830	12.5
488.08990	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	487.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.8
53.03954	10.5
55.01861	3.8
55.05510	26.1
56.64949	1.6
57.03419	3.1
57.07636	1.7
65.03914	4.6
66.70283	1.6
67.05501	69.0
69.03362	1.7
69.07066	15.2
70.55350	4.9
71.04967	3.5
73.06546	3.0
77.03916	2.1
79.05491	100.0
81.03422	12.4
81.07053	62.4
83.04981	18.3
83.08610	8.9
85.02868	1.9
85.06512	3.5
91.05478	75.1
93.07040	83.2
95.04391	2.5
95.04963	36.1
95.08603	42.2
97.06508	9.0
97.10119	6.5
103.05443	2.7
105.04458	2.6
105.07030	62.0
107.04960	9.2
107.08588	33.0
109.06521	10.1
109.10146	13.9
115.05437	3.1
117.07022	13.7
119.08566	34.0
121.06448	4.7
121.10101	9.6
123.08073	12.3
123.11663	1.9
125.09567	1.9
126.02812	1.5
127.07477	2.4
128.06136	5.3
129.07010	24.9
131.08501	8.4
133.06410	2.6
133.10123	23.9
135.08017	3.7
135.11632	7.5
137.09587	1.7
141.09076	1.9
143.08560	14.0
145.10141	16.9
147.08023	3.2
147.11679	44.6
156.09262	3.4
157.10033	3.0
159.11632	4.7
161.09535	6.0
161.13252	25.7
163.11079	3.4
165.09007	2.5
169.10110	2.4
171.10327	2.8
171.11682	44.7
173.13199	3.9
175.14781	2.8
179.14226	3.9
185.13324	2.7
189.12701	17.4
189.16368	2.7
199.00481	1.8
199.14688	2.1
201.16341	3.6
205.15782	3.7
207.13782	51.3
211.14801	2.2
221.15245	2.4
225.14824	10.6
225.98631	1.7
281.17352	4.8
403.09912	1.7
413.07596	1.8
441.33704	9.7
451.32220	2.3
461.45972	1.7
467.15262	2.1
469.33347	3.1
487.30179	57.2
488.30481	5.8
507.67041	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30875	0.6
53.01503	0.5
53.03935	1.3
55.01875	0.9
55.05503	2.0
65.03928	1.4
67.05500	3.6
69.07057	2.1
71.24818	1.3
72.64464	0.7
79.05495	2.8
80.02615	0.7
81.07055	5.3
82.48306	0.6
83.08607	1.2
90.33716	0.5
91.05472	10.0
93.07045	6.2
95.04962	2.2
95.08621	5.0
97.06517	0.6
103.05465	1.7
105.03394	1.1
105.07031	5.0
107.04948	0.9
107.08611	4.5
109.06507	3.9
109.10181	2.8
111.04417	0.8
111.53338	0.5
115.05450	0.7
117.07005	2.8
119.08561	4.5
121.02891	0.8
121.10125	3.1
123.11702	1.7
125.05994	2.1
128.06206	1.0
129.07022	2.4
131.04945	4.2
131.08554	3.4
133.10112	2.6
135.08076	1.0
135.11676	1.8
137.05957	1.8
138.03110	1.6
141.06978	1.2
142.07768	0.9
143.08539	2.7
145.06482	0.7
145.10057	3.5
147.11690	2.4
149.13269	1.3
151.03920	0.8
153.05450	1.9
155.07025	2.9
155.08354	1.2
156.09358	0.6
157.10114	1.7
159.08168	0.6
159.11714	1.8
161.13254	1.4
166.02644	1.2
167.07048	23.2
169.10100	2.1
171.11696	4.2
173.13211	1.3
175.14874	1.0
179.03397	6.1
179.08498	0.7
181.04955	100.0
181.08434	1.9
182.05315	2.4
183.06528	2.1
183.11612	0.8
184.03680	3.2
187.14789	1.0
191.07001	1.6
193.04962	5.0
193.10170	1.3
195.11787	0.8
197.04439	2.1
199.14925	0.9
201.16402	2.1
203.17989	2.2
205.08476	0.6
205.15919	1.0
207.11687	0.9
209.08064	2.2
209.13231	0.8
211.06036	0.7
217.15982	0.7
219.06496	1.6
221.04390	1.4
223.14865	0.8
235.14792	0.8
243.10086	1.5
267.10187	1.0
276.46335	0.6
281.08109	1.1
283.09659	3.8
285.11145	2.0
289.14450	1.1
291.21097	1.7
297.11255	2.7
305.22565	2.1
307.09692	0.8
309.11194	0.6
333.22073	1.7
383.18292	1.1
405.20499	0.7
441.33527	1.7
469.33231	0.7
487.28189	5.1
487.35703	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	487.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01859	0.7
55.05493	1.1
65.03924	0.9
67.05503	1.8
69.07058	1.5
69.43098	2.8
79.05494	2.4
81.07058	3.1
83.08607	1.0
88.49334	0.3
89.96773	0.3
91.05479	4.5
92.96175	0.3
93.07054	3.5
95.01316	0.5
95.04970	2.3
95.08596	3.8
97.06446	0.3
97.10198	0.4
103.05431	0.8
105.03391	0.4
105.07018	3.3
107.08591	4.0
109.06467	0.7
109.10155	3.8
111.04423	0.7
117.07006	1.4
119.08578	3.0
121.06535	0.4
121.10148	3.0
123.04436	0.4
123.11697	0.8
125.05960	1.2
129.06953	0.6
131.04926	1.3
131.08595	1.6
133.10110	3.1
135.11690	1.5
137.13211	0.3
138.03120	2.8
141.06990	0.6
143.08569	0.7
145.10133	2.7
147.11682	2.0
149.13243	1.5
151.03889	0.8
153.05435	0.9
155.07146	0.6
155.08459	0.9
157.10153	0.8
159.07932	0.4
159.11682	1.7
161.13220	1.2
163.14761	0.6
165.06929	0.5
166.02634	2.2
167.07068	2.7
167.08357	0.7
171.11674	0.9
173.13171	0.8
175.14841	3.6
177.16423	2.7
179.03415	1.1
179.08630	0.3
181.04947	100.0
182.05267	2.3
183.06580	2.4
183.08086	0.6
183.11646	0.6
184.03665	2.7
185.13245	0.5
187.14783	1.1
189.16344	2.2
190.39279	0.4
191.06978	0.6
193.04823	0.5
193.10107	0.4
201.16396	1.7
203.17981	0.9
205.15825	0.6
207.06769	0.4
207.11732	0.5
209.08026	1.8
215.17888	0.7
219.17513	0.5
221.13416	0.3
233.08095	0.5
241.19370	0.5
269.22458	0.4
281.11572	0.4
285.11221	0.9
291.21054	0.8
305.22638	1.7
315.21240	0.5
333.21951	1.2
391.33514	1.3
409.34888	1.6
423.32779	0.7
437.34079	0.5
451.35849	1.6
469.37170	0.9
487.28250	2.6
487.35587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01862	0.7
55.05504	0.5
65.03917	0.5
67.05505	1.5
69.03419	0.4
69.07057	1.2
71.07828	0.5
75.64081	0.2
79.05487	1.3
81.03413	0.3
81.07073	1.8
91.05480	4.2
93.03382	0.3
93.07058	2.3
94.04197	0.3
95.01327	0.5
95.04961	1.7
95.08627	2.0
97.06509	0.5
97.10141	0.3
103.05453	0.6
105.03398	0.3
105.07021	1.8
107.04913	0.4
107.08597	1.8
108.93932	0.2
109.06514	0.9
109.10131	1.0
111.04425	0.7
117.07014	1.3
119.08591	1.7
121.02911	0.4
121.10136	1.3
123.04479	0.6
123.11715	0.7
125.05968	1.1
128.06242	0.5
129.07013	1.0
131.04913	0.7
131.08556	1.0
133.10168	1.3
135.11687	0.8
137.05936	0.4
138.03102	2.4
141.05453	0.3
141.06976	0.7
143.08539	0.6
143.88789	0.3
145.10144	1.2
147.11676	1.3
149.02383	0.4
149.13245	1.1
151.03915	1.2
153.05423	1.4
155.07051	0.8
155.08568	0.4
157.06512	0.3
157.10109	0.6
159.10454	0.2
159.11717	0.7
161.13235	0.4
163.03925	0.4
163.14828	0.3
166.02634	2.0
167.03294	0.4
167.07039	3.5
171.11755	0.3
173.13217	0.4
175.14833	1.0
177.16406	0.6
178.07774	0.3
179.03323	1.7
179.08604	0.4
181.04947	100.0
182.05313	2.2
183.06526	4.1
184.03680	2.7
189.16336	0.5
193.04951	1.7
197.04445	0.9
197.91255	0.3
201.16432	0.6
203.14336	0.3
203.17917	0.8
205.15797	0.4
207.11717	0.4
207.13733	0.3
209.08070	3.1
211.06134	0.4
217.15869	0.3
235.14722	0.3
243.10149	0.5
250.84314	0.3
259.15030	0.3
281.11658	0.4
283.09677	1.0
285.11325	0.5
291.21072	0.6
297.11295	0.7
305.22519	1.5
311.12833	0.4
315.21375	0.4
333.22156	0.9
469.27252	0.6
487.28305	2.9
487.35168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.1
67.05500	0.5
69.03424	0.8
70.06568	0.6
71.04959	0.6
71.07587	0.9
79.05502	0.8
80.97524	0.4
81.03424	0.6
81.07045	1.0
83.05009	0.4
85.02900	1.2
86.09705	0.6
91.05457	1.0
93.07025	1.4
95.08617	1.0
97.06483	0.4
105.07018	0.7
107.08585	0.8
109.02888	0.9
109.10149	0.8
117.03371	1.0
119.04989	0.4
119.08568	1.0
121.02807	0.4
121.10130	0.8
123.08054	0.9
124.07601	1.2
125.07914	0.7
135.11687	0.4
137.06020	0.4
137.09612	0.4
142.08615	1.0
143.08939	0.4
145.02841	1.6
147.04399	0.9
163.07579	0.5
167.03397	0.4
177.05461	3.9
177.74518	0.4
203.05289	0.6
207.06552	1.2
214.16226	0.3
275.07260	1.1
325.03369	0.6
335.09451	14.2
355.17276	1.6
487.21451	100.0
488.21741	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	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.86699	0.3
53.29921	0.3
55.09769	0.2
69.03413	0.5
70.06592	0.4
71.12033	0.7
73.88631	0.2
79.05453	0.5
81.03407	0.4
81.07025	0.6
85.02884	0.6
86.09682	0.4
89.11429	0.3
91.05445	0.6
93.07018	0.6
105.07024	0.3
107.08566	0.4
109.02877	0.7
109.06532	0.3
109.10146	0.3
119.04903	0.3
121.10159	0.4
124.99623	0.3
127.03917	0.7
133.10083	0.3
135.42511	0.3
137.05968	0.4
149.09567	0.3
157.00208	0.3
163.03886	1.0
163.07478	0.3
175.03839	0.4
177.05513	0.6
202.15083	0.3
203.05269	0.9
207.06494	0.5
241.04898	0.3
243.46758	0.3
269.04535	0.4
275.07318	0.6
292.79898	0.3
295.05988	0.5
297.03732	0.5
303.80621	0.3
310.84436	0.3
317.08582	0.4
325.03412	0.9
332.46002	0.3
335.09439	10.7
355.17294	3.5
487.21463	100.0
488.21979	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	487.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87372	0.9
53.03938	1.5
55.01876	1.6
55.05499	2.5
57.03432	1.0
57.74084	0.9
67.05515	5.8
68.35491	0.8
69.03080	1.3
69.03424	10.7
69.07061	2.9
69.40032	7.1
71.05006	0.9
75.04502	0.9
79.05492	6.5
81.03418	7.0
81.07050	9.9
83.04984	1.8
83.08609	1.6
85.02909	3.9
89.03899	0.8
91.05485	9.3
93.07048	22.4
95.04961	3.1
95.08610	13.3
97.02896	3.6
97.06561	1.0
97.10158	2.1
99.04443	2.7
105.03413	1.0
105.07031	10.9
107.04948	1.0
107.08601	8.7
109.02887	3.1
109.06546	1.6
109.10159	13.0
111.04465	1.4
111.08080	1.9
114.15145	1.0
115.05485	1.8
115.75687	0.7
117.07036	3.3
118.91077	0.8
119.08585	10.6
121.02874	4.1
121.06512	1.9
121.10139	21.6
123.04405	1.3
123.08074	2.4
123.11696	2.7
123.16545	0.8
125.09631	2.7
127.03915	3.2
128.06270	1.7
129.06969	1.0
131.08534	4.7
133.06534	4.7
133.10106	4.7
135.04433	3.3
135.08067	2.2
135.11700	2.4
137.09624	4.9
141.07024	1.5
143.08546	2.1
145.02745	0.9
145.04973	1.7
145.06502	1.7
145.10110	6.8
147.04382	2.2
147.11674	3.9
149.09616	9.6
149.13254	2.1
155.08546	1.6
157.06537	2.4
157.10121	2.2
159.08011	1.5
159.11751	3.8
161.05977	20.6
161.09612	1.7
161.13278	1.9
165.06885	1.3
165.09146	1.5
167.08478	0.9
167.10649	1.7
169.10149	0.9
171.11630	1.7
173.06012	9.3
173.13223	3.7
175.03897	2.5
175.14854	3.0
177.05367	1.3
177.16403	2.9
183.08080	2.6
183.11617	1.3
185.05954	3.3
187.03859	1.1
187.07593	1.0
187.14789	4.8
189.05467	100.0
189.16368	2.8
190.05768	1.6
191.14336	3.6
191.15974	0.9
191.18001	1.9
197.06021	2.1
199.07526	1.5
199.14771	1.8
201.05469	12.5
201.09206	1.9
201.16405	3.5
203.03577	0.8
203.07031	4.0
203.14398	2.8
203.18025	1.6
205.15964	2.0
211.07578	4.0
213.05458	27.8
213.08771	1.0
213.16304	1.2
214.06129	2.9
215.06885	2.0
215.18018	1.2
223.07547	1.1
225.05424	7.6
225.09068	1.9
226.00819	0.9
227.07008	9.0
229.05106	1.8
229.08588	15.1
231.06569	3.4
239.07053	2.3
241.08653	2.5
243.06610	2.6
251.07133	2.3
253.08566	5.7
255.06508	8.4
265.08762	1.1
267.06564	7.5
267.10233	2.6
269.08270	1.6
269.11728	4.5
279.06485	3.2
279.13757	2.8
285.07840	1.2
289.12234	0.9
289.25067	1.4
295.09747	1.6
297.07568	3.9
297.14932	7.8
307.09976	1.1
307.13345	3.4
321.14813	3.2
325.14377	9.8
337.10593	1.1
337.14420	1.1
349.14355	2.5
363.15833	1.2
391.15421	1.7
405.17200	1.2
405.95236	1.1
407.33032	0.9
415.15378	1.1
423.32486	1.1
433.16290	2.9
441.33591	3.0
451.17392	3.8
469.18716	5.0
469.33466	1.5
487.19473	3.1
487.27658	1.6
487.34424	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	487.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.8
53.03937	2.6
55.01869	1.3
55.05506	4.3
57.03429	1.7
67.05498	9.0
69.03428	10.4
69.07065	4.5
71.04976	1.5
75.27829	0.8
79.05488	7.0
81.03411	6.9
81.07047	14.7
83.04976	2.5
83.08611	1.8
85.02902	4.8
85.06544	1.1
91.05473	9.6
93.07040	24.4
95.04966	3.9
95.08606	17.3
97.02895	5.8
97.06530	2.7
97.10175	1.6
98.21474	1.8
99.04477	2.6
99.08070	1.5
103.05441	1.1
105.07027	15.2
107.08596	13.0
109.02877	4.0
109.06528	2.8
109.10153	15.9
111.04428	1.3
111.08057	1.0
111.11658	0.9
115.05450	2.3
117.07006	4.0
119.08563	15.3
121.02881	3.3
121.06500	2.4
121.10133	23.1
123.04422	1.5
123.08073	3.0
123.11705	5.2
125.09631	3.1
127.03923	3.5
128.06227	1.4
129.07027	2.5
131.08556	7.9
133.06487	4.6
133.07449	1.0
133.10138	8.2
135.04417	2.5
135.08075	3.2
135.11693	5.1
137.09622	7.3
139.11179	1.0
141.07039	1.2
143.08585	2.4
145.02954	1.0
145.06461	2.6
145.10121	8.6
147.04425	1.3
147.08118	1.3
147.11668	6.2
149.09628	7.4
149.13275	3.2
151.11179	1.3
153.50015	0.9
155.08461	2.2
156.09358	1.1
157.06554	2.8
157.10133	4.1
159.04431	1.5
159.08003	1.6
159.11684	6.4
161.05977	19.2
161.09651	2.6
161.13275	3.6
163.11223	0.9
163.14867	2.0
165.09155	2.6
165.12860	1.2
167.08554	1.1
167.10683	1.0
168.09485	0.8
169.10194	1.9
169.20975	0.9
171.08141	1.0
171.11705	2.1
173.05936	7.4
173.09686	1.6
173.13263	5.3
175.03946	2.7
175.11086	1.1
175.14760	5.7
176.04776	0.9
177.05399	1.5
177.12784	1.2
177.16373	2.6
181.06514	1.1
183.08099	2.0
183.11566	1.1
185.06003	3.8
185.13316	2.7
187.03931	1.5
187.11115	1.4
187.14813	7.6
189.05455	100.0
189.16393	5.1
189.17928	1.0
190.05865	1.3
191.14340	3.6
191.17921	2.2
193.15901	2.8
197.06041	2.7
197.13321	1.7
199.07574	1.4
199.14801	2.2
201.05473	10.6
201.09219	1.8
201.12915	1.1
201.16342	5.5
203.03412	1.7
203.07103	5.8
203.14360	2.6
203.18002	1.2
205.15894	3.0
207.17369	1.0
209.05960	1.3
211.07458	4.7
213.05447	27.4
213.16345	1.3
215.07071	2.4
215.14346	1.0
215.18100	1.2
217.04968	1.0
217.15889	3.2
221.15335	1.8
223.07481	1.7
224.08458	0.9
225.05490	5.4
225.09100	2.4
227.07045	8.6
227.17931	1.2
228.07912	1.0
229.04887	2.7
229.08591	13.3
231.06593	2.8
233.15392	1.3
235.16885	2.4
237.05521	1.2
239.07187	1.8
241.08624	3.8
243.06656	3.2
247.17157	1.3
249.09332	1.1
251.07050	2.1
251.16408	2.6
253.06268	0.8
253.08539	5.6
253.19644	1.4
255.06458	8.4
267.06573	6.9
267.09570	1.2
269.08151	1.8
269.11792	3.3
279.06500	4.0
279.09421	1.2
279.13910	2.5
281.08087	1.2
285.07843	1.3
293.78452	1.0
297.07483	4.4
297.14838	8.9
307.13303	3.4
307.26492	1.5
315.08594	1.3
317.21149	1.3
321.14850	3.5
325.14160	6.1
337.10672	1.3
349.14490	3.4
387.15619	1.1
391.15381	1.2
405.16916	1.6
405.31479	1.2
423.32794	3.2
433.16522	2.8
441.34015	5.9
451.17691	5.9
451.32217	1.3
469.18619	4.9
469.33154	2.2
487.08200	1.2
487.19513	3.9
487.34274	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03943	4.2
55.01867	4.5
55.05511	24.6
56.62567	2.8
57.03426	5.4
57.07064	6.6
63.14942	3.0
65.00862	3.4
65.03928	4.8
67.05499	49.3
67.56453	3.2
69.03429	21.2
69.07059	33.7
70.63168	10.6
71.02769	3.1
71.04985	13.5
72.32420	2.9
74.01448	3.1
75.04466	3.1
79.05485	50.7
81.03419	10.9
81.07053	99.0
81.07529	5.1
83.01325	3.0
83.04981	28.5
83.08617	12.7
85.02889	11.5
85.06528	13.1
87.04468	5.1
89.35126	3.0
91.05475	48.6
93.07040	84.9
95.04938	17.0
95.08601	86.4
97.02898	7.5
97.06519	32.1
97.10159	11.4
99.04453	9.9
99.08094	5.8
103.05404	3.4
105.07022	77.6
107.04958	7.1
107.08590	100.0
109.02882	11.7
109.06496	21.0
109.10148	57.9
111.08078	23.7
113.06004	6.2
113.09657	3.7
117.07005	20.6
119.04980	4.6
119.08579	100.0
121.06484	17.3
121.10136	69.3
123.04367	4.8
123.08072	24.7
123.11698	27.7
124.07568	11.8
125.05996	10.5
125.09634	16.1
127.03922	9.4
127.07575	5.5
128.06247	5.1
129.06999	16.6
131.08556	46.4
133.06520	4.7
133.10124	73.8
135.04439	3.2
135.08052	16.5
135.11658	32.5
137.05960	9.5
137.09601	16.9
139.03897	4.3
139.07504	6.8
139.11203	6.3
141.06981	6.6
141.09143	6.5
142.07771	11.6
143.07039	12.1
143.08556	42.2
144.09348	5.7
145.10124	73.8
147.04399	6.5
147.08043	11.2
147.11673	57.1
149.05989	4.5
149.09624	16.9
149.13220	22.1
151.11179	6.5
153.06952	4.2
155.08536	22.2
156.09352	12.5
156.14474	3.5
157.10124	53.5
158.10875	6.2
159.08025	5.8
159.11679	61.6
161.09544	16.3
161.13263	31.7
163.11137	15.5
163.14827	6.8
165.09114	4.8
165.12718	4.3
167.08548	4.2
169.06628	3.2
169.10132	30.9
170.11014	5.2
171.11691	46.3
173.09563	4.7
173.13251	48.5
175.07585	3.8
175.11212	22.5
175.14810	18.2
177.05482	7.6
177.12773	12.6
177.16383	5.7
179.08533	5.4
181.10144	11.6
181.12186	5.6
182.10867	8.0
183.10199	6.3
183.11681	33.6
185.09650	4.2
185.13284	29.7
187.11205	12.9
187.14801	29.4
189.12743	31.0
189.16443	10.3
191.14256	19.0
193.10100	3.7
193.15909	5.0
194.10876	3.9
195.10121	3.5
195.11595	17.3
197.13274	29.7
199.11247	6.7
199.14786	27.3
201.12730	13.7
201.16435	13.4
203.14281	17.7
203.18008	5.4
205.12129	3.3
205.15907	5.8
207.06433	6.4
207.11844	7.0
207.13713	10.7
209.13304	17.3
211.14825	18.4
213.12747	11.4
213.16304	17.9
215.14348	12.6
217.15843	11.4
219.11543	3.8
219.13660	3.8
219.17407	5.2
221.13354	7.2
221.15312	6.6
223.14839	14.1
225.12648	3.9
225.16396	10.4
227.14314	9.1
227.17886	4.4
229.15886	14.7
233.15283	7.6
235.14958	6.6
235.16951	6.7
239.14308	5.4
239.18021	5.8
241.15883	8.3
243.17393	7.8
245.15395	6.8
247.17123	5.3
249.14618	7.9
255.17508	5.3
259.16888	3.5
263.17950	5.2
273.18640	4.6
277.19598	4.3
281.18945	4.4
285.18558	4.9
287.17816	4.4
299.19955	18.9
305.24728	6.4
309.22205	3.5
356.23148	4.7
365.24637	3.6
381.27893	4.1
383.25806	5.5
401.28329	5.1
403.30026	3.9
419.29477	18.0
421.30939	8.6
425.30261	6.3
431.29413	19.0
437.30753	17.5
439.32089	9.5
449.30533	48.4
455.31564	21.4
467.31631	73.1
468.31430	4.1
485.24832	5.8
485.32712	98.4
486.33087	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	485.3261
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.05519	1.1
56.97398	0.5
61.76173	0.5
67.05496	1.3
68.12927	0.5
69.07057	1.6
79.05490	1.4
81.07039	3.4
83.04976	0.9
83.08578	1.0
91.05489	2.3
93.07027	1.6
95.04954	0.8
95.08607	2.9
95.83499	0.5
98.20728	1.3
101.50018	0.5
105.07024	6.7
107.08594	3.3
109.10141	2.0
111.08063	0.8
117.07031	0.8
119.08584	8.2
121.06532	0.7
121.10140	2.3
123.08044	1.0
123.11697	1.0
131.08559	3.5
133.10107	3.5
135.11697	1.5
143.08585	1.8
145.10126	4.6
147.07967	0.7
147.11659	2.8
149.09578	0.6
149.13252	0.6
157.10109	2.1
158.10886	1.9
159.08018	1.0
159.11681	2.2
161.09650	1.1
161.13263	1.6
163.14824	0.8
168.50275	0.5
169.10136	0.9
171.11650	1.2
173.09662	1.0
173.13254	11.3
175.11270	0.6
175.14833	4.6
177.16417	1.2
181.10118	0.6
183.11707	0.7
185.09616	0.8
185.13226	1.0
187.11086	1.0
187.14809	3.1
189.12755	0.7
189.16374	2.7
199.14813	1.9
203.14355	0.7
213.12737	2.6
213.16353	1.1
215.14183	1.3
217.15855	0.9
227.14351	1.6
229.15892	0.9
229.66658	0.8
231.13834	1.4
231.17429	0.8
233.15387	1.1
249.14780	0.8
268.20074	0.6
349.25552	0.7
385.28894	0.8
403.30035	1.9
421.30951	4.5
439.31934	2.1
449.30371	1.3
467.31567	10.2
485.32614	100.0
486.32892	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	485.3258
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.05500	11.3
55.56903	1.5
57.07058	1.6
67.05507	17.5
69.03423	3.5
69.07068	23.7
69.42696	12.1
69.81456	1.5
71.01347	2.4
71.04998	12.2
73.06553	2.1
79.05499	15.2
81.07059	34.2
83.04980	2.0
83.08621	6.9
91.05468	23.8
93.07041	25.1
95.04982	8.9
95.08601	45.0
95.09179	2.4
97.06523	4.6
97.10169	5.4
103.05448	1.8
104.07825	1.6
105.07027	41.3
107.04931	1.5
107.08589	43.9
109.06536	10.0
109.10148	26.0
111.08099	3.4
113.05997	4.0
117.07021	10.3
119.08578	72.2
121.06522	6.7
121.10136	35.5
123.08083	6.4
123.11697	8.9
125.09684	2.7
129.07007	7.8
131.07019	2.5
131.08563	25.3
133.06525	2.2
133.10127	37.1
135.08066	6.8
135.11684	17.2
137.09619	6.9
137.13255	3.3
139.11198	2.1
141.06909	2.8
142.07765	4.7
143.08536	14.3
145.10112	37.8
145.11165	2.6
147.08060	4.6
147.11699	22.7
149.09615	9.6
149.13206	11.6
151.11191	2.4
153.09102	3.7
155.08508	3.8
157.10106	20.7
158.10922	2.4
159.08107	2.1
159.11691	24.5
161.09637	6.9
161.13216	17.2
163.11255	5.3
163.14780	10.6
165.09129	3.7
165.12729	2.3
169.10173	8.9
170.10880	2.6
171.11662	14.9
172.12276	2.6
173.09645	2.6
173.13248	19.3
175.11250	5.1
175.14827	70.7
177.09097	3.0
177.12817	2.5
177.16399	14.0
179.10747	2.5
181.04967	1.7
181.10129	2.9
182.11035	2.4
183.10176	10.9
183.11732	9.4
185.13287	15.1
187.11224	3.2
187.14813	36.2
188.15268	1.7
189.12753	3.6
189.16389	8.1
191.14297	8.2
193.15889	4.2
195.11780	5.0
197.13255	9.2
199.14786	11.7
201.12721	3.9
201.16393	24.5
203.14305	39.9
203.17937	15.9
205.15909	6.6
209.13345	3.0
211.14893	6.8
211.38197	2.4
213.16357	13.9
215.14325	4.3
215.17932	11.6
217.15910	5.8
219.13980	1.9
219.17480	4.4
221.13301	2.1
221.15271	19.7
221.16972	1.8
223.14868	2.8
225.16399	2.7
227.14320	2.2
227.18013	6.2
229.15913	1.9
229.19530	3.6
231.13901	1.9
231.17484	2.1
233.15428	6.8
235.16849	3.2
237.14856	4.6
239.18040	5.8
241.19606	6.0
245.15472	5.6
247.17007	5.2
249.14793	14.7
251.18265	3.2
253.19469	12.4
255.21074	3.8
259.17099	3.2
261.18570	3.1
263.16675	2.1
265.17786	1.8
267.21118	3.5
273.18530	2.5
279.20969	2.6
281.22595	1.9
285.18509	4.6
299.19809	2.4
307.24344	5.3
309.25687	20.7
310.26556	3.2
311.27448	2.3
317.14691	1.9
353.24768	2.6
355.26257	14.1
369.24289	2.2
375.30362	2.3
379.30127	4.2
393.31812	2.6
395.32959	2.3
403.30069	5.2
411.33478	1.7
421.31003	38.8
423.32828	2.6
425.30338	2.1
439.32068	100.0
440.32465	4.5
441.33713	5.3
449.30554	9.6
455.31607	1.8
467.31552	18.6
485.32632	55.7
486.32635	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
55.05504	14.3
57.03440	4.0
57.07085	2.9
65.03957	3.2
65.75266	2.3
67.05510	25.2
69.03442	5.2
69.07056	17.6
69.46519	22.0
71.04987	3.2
72.04524	2.9
79.05492	22.3
81.03442	3.3
81.07053	45.4
83.05007	8.6
83.08640	8.3
88.22382	2.6
91.05473	27.7
93.02779	2.9
93.07048	39.4
95.04984	9.7
95.08604	72.9
95.09174	4.7
97.06535	4.5
97.10207	5.5
99.08118	2.7
104.72353	2.4
105.06351	1.9
105.07027	58.5
105.07780	2.9
107.08590	56.1
109.06532	6.4
109.10158	30.1
109.10719	2.4
111.04478	4.5
111.08126	3.2
111.11669	3.2
117.07040	7.0
119.08585	84.5
121.06533	5.8
121.10138	52.9
121.10931	3.8
123.08104	7.3
123.11732	7.6
125.05974	3.5
125.09651	5.7
128.06271	3.9
129.07076	7.9
130.07851	3.2
131.08577	30.8
133.06529	3.2
133.10136	49.2
135.08031	19.1
135.11691	13.3
135.17564	2.3
137.09653	4.7
137.13286	4.6
141.06987	6.1
142.07806	5.0
143.08580	23.7
145.10124	53.8
147.08125	5.0
147.11658	31.5
149.09671	8.9
149.13243	19.4
151.07591	5.9
151.11235	3.0
155.08614	10.2
156.09383	11.0
157.10135	28.0
157.51811	2.7
159.08119	7.6
159.11681	36.1
161.09615	14.3
161.13254	27.9
162.13660	2.6
163.11194	6.6
163.14825	34.9
165.07138	3.2
165.12796	3.2
165.16391	3.4
167.08621	4.1
169.04167	2.8
169.10106	14.5
170.11011	8.8
171.08194	3.6
171.11705	26.6
172.08771	4.4
173.09572	12.6
173.13277	23.7
175.11246	14.8
175.14822	44.3
177.09131	3.6
177.12909	4.6
177.16394	41.2
177.17851	4.1
179.08675	5.7
181.10149	7.4
182.10960	4.6
183.11707	16.7
184.12399	3.3
185.09669	6.2
185.13240	24.3
186.10443	3.5
187.11250	8.3
187.14804	33.0
189.12723	13.9
189.16348	27.2
191.14374	10.3
191.17998	5.2
193.10237	3.4
193.12364	2.8
193.15930	3.4
194.10997	4.7
195.11784	9.5
197.13327	14.0
199.11179	5.7
199.14836	17.3
201.12733	18.3
201.16374	14.4
203.14290	14.0
203.17964	19.3
205.16043	3.7
209.13237	25.2
211.14969	10.5
213.12839	9.8
213.16501	9.3
215.14400	11.5
215.18134	7.3
217.15984	7.8
219.13867	6.0
221.13322	4.5
221.15422	6.4
223.14935	8.5
225.16499	3.5
227.14400	11.9
227.18031	4.8
229.15981	9.6
229.19629	4.3
231.13968	7.3
231.17448	3.9
233.15488	4.9
239.18025	3.6
239.46846	3.4
241.15996	4.4
241.19502	4.2
245.15485	6.2
247.17030	6.3
249.14845	4.2
255.17386	3.0
257.15524	3.9
267.15948	6.0
275.16522	4.2
289.19772	3.1
309.25848	4.0
325.21664	6.8
375.30890	4.4
379.29904	3.0
385.28888	3.8
391.30228	7.5
393.31619	5.5
403.29916	26.0
409.31039	3.1
419.29568	6.7
421.31033	47.3
421.36343	3.6
437.30661	3.3
439.32129	46.9
440.32318	4.0
449.30795	10.7
457.33148	21.7
467.31717	32.7
485.32870	100.0
486.15460	7.7
486.33368	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	485.3259
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03959	5.1
55.05504	14.3
57.03440	4.0
57.07085	2.9
65.03957	3.2
65.75266	2.3
67.05510	25.2
69.03442	5.2
69.07056	17.6
69.46519	22.0
71.04987	3.2
72.04524	2.9
79.05492	22.3
81.03442	3.3
81.07053	45.4
83.05007	8.6
83.08640	8.3
88.22382	2.6
91.05473	27.7
93.02779	2.9
93.07048	39.4
95.04984	9.7
95.08604	72.9
95.09174	4.7
97.06535	4.5
97.10207	5.5
99.08118	2.7
104.72353	2.4
105.06351	1.9
105.07027	58.5
105.07780	2.9
107.08590	56.1
109.06532	6.4
109.10158	30.1
109.10719	2.4
111.04478	4.5
111.08126	3.2
111.11669	3.2
117.07040	7.0
119.08585	84.5
121.06533	5.8
121.10138	52.9
121.10931	3.8
123.08104	7.3
123.11732	7.6
125.05974	3.5
125.09651	5.7
128.06271	3.9
129.07076	7.9
130.07851	3.2
131.08577	30.8
133.06529	3.2
133.10136	49.2
135.08031	19.1
135.11691	13.3
135.17564	2.3
137.09653	4.7
137.13286	4.6
141.06987	6.1
142.07806	5.0
143.08580	23.7
145.10124	53.8
147.08125	5.0
147.11658	31.5
149.09671	8.9
149.13243	19.4
151.07591	5.9
151.11235	3.0
155.08614	10.2
156.09383	11.0
157.10135	28.0
157.51811	2.7
159.08119	7.6
159.11681	36.1
161.09615	14.3
161.13254	27.9
162.13660	2.6
163.11194	6.6
163.14825	34.9
165.07138	3.2
165.12796	3.2
165.16391	3.4
167.08621	4.1
169.04167	2.8
169.10106	14.5
170.11011	8.8
171.08194	3.6
171.11705	26.6
172.08771	4.4
173.09572	12.6
173.13277	23.7
175.11246	14.8
175.14822	44.3
177.09131	3.6
177.12909	4.6
177.16394	41.2
177.17851	4.1
179.08675	5.7
181.10149	7.4
182.10960	4.6
183.11707	16.7
184.12399	3.3
185.09669	6.2
185.13240	24.3
186.10443	3.5
187.11250	8.3
187.14804	33.0
189.12723	13.9
189.16348	27.2
191.14374	10.3
191.17998	5.2
193.10237	3.4
193.12364	2.8
193.15930	3.4
194.10997	4.7
195.11784	9.5
197.13327	14.0
199.11179	5.7
199.14836	17.3
201.12733	18.3
201.16374	14.4
203.14290	14.0
203.17964	19.3
205.16043	3.7
209.13237	25.2
211.14969	10.5
213.12839	9.8
213.16501	9.3
215.14400	11.5
215.18134	7.3
217.15984	7.8
219.13867	6.0
221.13322	4.5
221.15422	6.4
223.14935	8.5
225.16499	3.5
227.14400	11.9
227.18031	4.8
229.15981	9.6
229.19629	4.3
231.13968	7.3
231.17448	3.9
233.15488	4.9
239.18025	3.6
239.46846	3.4
241.15996	4.4
241.19502	4.2
245.15485	6.2
247.17030	6.3
249.14845	4.2
255.17386	3.0
257.15524	3.9
267.15948	6.0
275.16522	4.2
289.19772	3.1
309.25848	4.0
325.21664	6.8
375.30890	4.4
379.29904	3.0
385.28888	3.8
391.30228	7.5
393.31619	5.5
403.29916	26.0
409.31039	3.1
419.29568	6.7
421.31033	47.3
421.36343	3.6
437.30661	3.3
439.32129	46.9
440.32318	4.0
449.30795	10.7
457.33148	21.7
467.31717	32.7
485.32870	100.0
486.15460	7.7
486.33368	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	485.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52731	1.4
53.03938	2.8
55.01857	4.6
55.05509	13.1
57.03432	4.6
57.07061	7.0
58.08368	1.5
61.02911	5.8
65.03939	2.3
66.69711	1.5
67.05495	12.4
69.03430	22.1
69.07067	18.6
71.01374	2.5
71.04997	7.1
71.50713	2.3
71.51104	2.6
72.17396	1.6
73.02901	4.0
79.05494	10.1
80.20956	1.7
81.03432	11.1
81.07053	41.9
83.04968	3.9
83.08607	7.2
85.02906	49.5
85.06538	7.9
91.05467	12.6
93.07043	26.7
95.04969	5.8
95.08599	39.7
97.02882	16.5
97.06534	7.4
97.10178	6.3
99.04467	2.3
99.08099	6.0
103.05510	2.1
105.07029	30.4
107.04924	1.8
107.08595	29.9
109.02892	7.4
109.06538	5.1
109.10152	25.9
111.08067	3.9
111.11707	2.6
115.07571	8.1
117.07021	2.3
119.08586	27.0
121.06478	2.3
121.10133	28.9
123.04456	2.1
123.08061	4.8
123.11687	16.2
125.09588	3.6
127.03927	13.1
131.08577	8.4
133.10124	22.3
135.08072	2.7
135.11697	25.0
137.05948	3.7
137.09625	3.2
137.13252	4.1
139.11168	4.6
143.08574	5.8
143.10701	3.3
145.04916	4.3
145.10123	12.6
146.10696	1.7
147.04388	1.9
147.11693	29.5
149.09573	3.1
149.13271	13.3
151.07547	2.2
151.11200	3.0
153.01855	9.9
153.12773	1.9
154.57365	1.7
157.10104	9.9
159.11664	13.5
161.09659	2.5
161.13208	16.2
163.11212	3.3
163.14821	5.4
167.10727	4.3
169.12317	2.1
171.11681	5.6
173.13269	7.7
175.14853	13.7
177.12791	2.6
177.16376	4.1
185.11795	3.5
185.13293	9.3
186.07042	2.0
187.14850	7.6
189.12746	3.0
189.16376	100.0
190.16939	3.8
191.17952	13.1
193.20676	2.2
197.13268	2.0
199.14833	5.3
201.16357	8.2
203.17900	8.9
213.16415	5.8
215.18030	2.8
217.16017	3.4
217.19452	13.4
227.17902	10.6
229.19447	4.2
245.22629	6.4
253.00890	1.9
257.22720	4.0
259.24106	2.9
269.22617	23.7
287.23685	23.9
305.24713	51.3
323.25745	8.7
485.19382	6.1
485.24127	2.0
485.30124	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	485.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90555	1.3
51.68491	1.5
53.03935	4.6
55.01858	2.5
55.05507	12.6
56.61626	1.5
57.03432	3.7
57.07067	4.5
59.20530	1.5
61.02914	6.7
67.05505	15.6
69.03426	22.6
69.07068	21.0
71.04989	7.8
71.52119	2.0
71.52484	1.6
73.02883	1.9
73.44418	1.5
74.85048	1.6
79.05499	9.7
81.03414	9.5
81.06588	2.8
81.07051	38.6
83.04973	5.5
83.08612	6.3
85.02905	46.4
85.06548	6.0
87.04441	2.3
91.03915	1.8
91.05473	10.8
93.07037	23.1
95.04935	3.5
95.08608	44.1
97.02890	15.7
97.06535	8.5
97.10159	5.2
99.04446	3.0
99.08087	4.3
103.05466	1.5
105.07021	29.0
107.04914	1.4
107.08589	32.2
109.02892	7.5
109.06512	4.0
109.10155	29.8
111.04464	1.5
111.08069	5.0
115.03956	1.7
115.07591	8.4
117.06992	5.0
119.08584	26.7
121.06520	3.0
121.10140	24.9
123.04433	3.0
123.08054	5.5
123.11704	13.2
125.09644	2.9
127.03922	11.7
128.06245	1.5
129.07062	3.8
131.08563	7.6
133.10123	19.7
135.08061	3.1
135.11674	20.6
137.05968	3.0
137.09621	3.4
137.13240	6.1
139.03815	2.7
139.11180	5.7
141.09047	1.8
141.24840	1.6
143.08539	5.4
143.10626	1.7
145.04976	7.7
145.10141	13.2
147.04398	1.7
147.08055	2.3
147.11688	27.6
149.09679	3.0
149.13275	14.4
151.07469	1.9
151.11145	2.7
153.01826	5.4
153.12839	2.0
157.10104	8.3
159.11681	13.0
161.13271	11.5
163.11235	2.4
163.14809	4.8
165.09172	1.8
165.12737	1.9
167.10683	5.7
171.11670	6.3
173.09708	1.9
173.13290	5.7
174.14108	2.1
175.11276	1.9
175.14763	11.8
177.05455	2.3
177.12662	1.8
177.16399	3.2
179.03345	3.2
181.12215	1.9
185.11690	6.9
185.13277	6.0
187.14810	8.7
189.16376	100.0
190.16986	2.5
191.17957	11.5
199.14795	4.8
201.16400	8.4
203.17889	7.0
207.17439	3.9
213.16382	6.7
215.17970	3.6
217.19513	14.6
227.17940	7.1
229.19379	2.3
243.21007	1.5
245.22638	5.7
257.22647	5.5
259.24356	2.6
269.22632	18.4
287.23672	24.9
302.24335	1.6
302.81952	1.4
305.17435	2.0
305.24719	55.8
323.25851	10.0
439.54163	1.5
449.28714	1.6
467.30627	1.9
485.18881	3.6
485.24237	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95958	1.1
53.03933	3.9
55.01866	3.8
55.05510	10.2
57.03424	5.1
57.07073	2.9
59.04989	1.3
61.02917	6.2
65.03934	1.6
67.05247	1.1
67.05506	12.6
69.03424	25.6
69.07063	21.0
69.49440	9.7
70.06586	1.9
71.04989	9.3
71.08586	1.3
73.02896	1.9
73.06528	1.8
79.05505	12.1
81.03421	10.7
81.07051	39.5
83.04963	4.0
83.08609	7.5
85.02901	49.6
85.06545	7.6
87.04488	1.4
91.05485	12.8
93.07042	24.7
95.04958	5.2
95.08603	44.9
96.08900	1.4
97.02890	16.4
97.06549	8.6
97.10169	7.1
99.04433	4.9
99.08099	3.4
105.07027	30.8
107.07880	2.3
107.08587	36.5
109.02885	9.1
109.06501	4.0
109.10151	32.2
111.04455	1.5
111.08077	4.1
111.11713	1.4
115.07554	8.1
117.07006	4.1
119.04940	1.5
119.08582	32.4
121.06484	3.2
121.10135	31.3
123.04420	2.1
123.08047	4.6
123.11706	14.6
125.09621	4.3
127.03908	11.6
127.11160	1.6
129.07008	2.1
131.08553	9.8
133.10135	22.9
135.08057	2.5
135.11691	21.4
137.05959	4.0
137.09608	3.4
137.13237	4.7
139.03842	3.0
139.11153	5.0
141.09059	1.7
143.08557	9.0
143.10681	3.7
144.09270	1.6
145.04938	8.9
145.10095	13.7
147.04388	2.0
147.08012	1.8
147.11681	32.0
149.09598	5.5
149.13260	14.8
151.07559	1.7
151.11211	2.9
151.14813	1.9
153.01819	5.6
153.05408	1.6
156.09383	1.6
157.06384	1.6
157.10077	7.5
159.08086	1.6
159.11684	15.5
161.05959	1.8
161.09604	1.9
161.13255	14.4
163.03911	1.6
163.11177	3.6
163.14857	6.4
165.12827	1.7
167.07008	1.7
167.10701	6.3
169.12183	2.0
171.10284	1.5
171.11559	6.0
173.13226	9.8
175.11295	1.3
175.14828	13.0
177.05577	2.0
177.16342	3.7
179.03363	4.3
185.11708	4.7
185.13246	8.9
187.11128	1.3
187.14780	7.8
189.16374	100.0
190.16862	4.1
191.17947	13.8
197.13148	1.9
199.14845	7.6
201.08919	1.3
201.16377	9.8
203.14226	1.9
203.17947	7.2
205.08490	1.3
205.15858	2.2
207.17369	1.5
213.16393	6.7
215.17918	4.0
217.19479	16.2
227.17906	9.3
229.19440	3.8
231.17368	2.3
235.17017	1.7
243.21004	1.9
245.18939	2.1
245.22664	4.8
253.34894	1.3
257.22659	4.2
259.24139	3.3
269.22644	18.6
287.23660	22.5
305.17496	1.8
305.24725	52.5
306.25037	2.0
323.25790	11.7
449.28949	1.9
472.43268	1.3
485.18088	2.3
485.23990	3.7
485.31750	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	485.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96475	1.6
53.03950	1.9
55.01860	2.1
55.05506	7.1
57.03441	4.4
57.07055	4.0
61.02924	6.1
67.05497	6.8
69.03429	19.0
69.07063	11.9
70.06568	2.0
70.17905	7.6
71.04984	6.6
73.02900	2.4
79.05485	4.5
81.03413	6.4
81.07063	20.5
83.04975	2.7
83.08599	5.1
85.02902	61.7
85.06573	2.4
87.04491	2.4
91.05000	1.6
91.05458	10.2
93.07042	16.6
95.04976	1.5
95.08604	27.6
97.02888	16.0
97.06524	4.5
97.10182	2.5
98.20994	2.8
99.04420	2.1
99.08051	2.2
105.07029	30.6
107.08605	24.4
109.02881	7.3
109.06535	2.6
109.10175	16.0
115.07583	7.1
117.07010	4.4
119.04956	1.5
119.08582	27.6
121.10147	24.6
123.11710	6.6
127.03928	10.7
129.07018	2.6
131.08499	7.9
133.10139	19.2
135.11685	16.4
137.13254	6.2
137.90723	1.8
143.08522	6.8
145.04999	5.0
145.10127	12.8
147.11691	26.1
149.13252	10.2
157.10121	7.2
159.11700	15.9
161.13269	14.7
162.13524	1.8
163.14854	4.9
167.10600	2.6
170.10876	2.7
171.11696	6.7
173.13263	6.7
175.14816	9.5
177.05556	2.4
185.11803	3.2
185.13229	10.9
187.14828	7.0
189.16383	100.0
190.17076	4.5
191.17955	18.4
199.14832	5.9
201.16402	7.6
203.17972	6.7
213.16373	5.5
215.17943	2.0
217.19521	13.0
227.17915	9.5
229.19522	3.7
245.22658	7.2
259.24075	2.8
269.22614	18.2
271.24289	1.9
287.23734	18.5
305.24744	44.4
323.25894	10.0
352.77521	1.7
485.19778	22.1
486.20386	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	485.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27517	1.5
53.03932	3.6
55.01884	1.8
55.05507	6.7
57.03421	6.8
57.07049	3.0
61.02911	4.3
65.36443	1.5
67.05512	8.3
67.05795	1.4
69.03431	16.2
69.07064	12.6
69.92802	1.5
70.06604	1.9
70.17451	5.9
71.04971	7.1
73.02900	1.9
79.05498	7.2
81.03416	7.4
81.07051	23.4
83.04982	2.0
83.08612	3.3
85.02898	58.4
85.06531	4.1
91.05467	6.7
93.07033	17.2
95.04955	2.6
95.08598	28.8
97.02880	13.6
97.06521	5.3
97.10156	3.1
98.21370	2.0
99.04464	4.0
99.08047	2.4
105.07018	29.5
107.08592	25.3
107.31310	2.0
109.02863	7.1
109.06519	2.1
109.10156	16.6
115.07585	8.2
117.07013	3.3
119.04941	1.6
119.08574	24.2
121.10133	18.2
123.04437	3.1
123.08034	1.8
123.11672	7.6
127.03905	13.6
129.07031	1.9
131.08539	7.9
133.10104	17.9
135.11699	17.6
137.02316	3.0
137.09674	1.9
137.13235	3.5
139.03886	3.8
139.11185	2.3
143.08562	3.5
145.04974	7.7
145.10123	8.9
147.11678	27.8
149.09636	3.0
149.13257	9.8
153.05447	4.2
153.12775	3.1
154.13051	4.6
157.10104	5.9
159.11650	13.9
161.13232	12.3
163.14832	4.7
167.10703	3.7
171.11713	6.5
173.13275	5.0
175.14806	11.0
177.16373	3.2
183.11731	1.7
185.11732	2.8
185.13243	6.5
187.14798	8.4
189.16368	100.0
189.87231	1.6
190.17018	2.2
191.03374	1.7
191.17960	13.3
195.06442	2.2
199.14821	6.0
201.16344	7.8
203.17877	7.5
207.06450	2.3
213.16336	5.7
215.17975	3.0
217.19547	15.7
227.17896	12.0
229.19511	4.7
231.52049	1.7
245.22620	4.5
257.22583	6.1
259.24460	2.1
269.22626	24.4
271.24228	2.3
287.23660	23.6
300.43912	1.7
305.24722	45.7
323.25787	7.1
356.03268	1.6
389.49014	1.8
458.96646	1.8
485.12280	2.1
485.19611	17.5
486.20328	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	485.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52402	0.6
52.44714	0.6
52.69655	0.6
53.03929	1.4
55.01864	1.7
55.68357	0.6
57.03435	0.9
61.02927	3.7
63.98069	0.6
69.03429	5.0
70.80383	1.9
71.04955	0.7
73.02905	0.9
81.03397	2.9
85.02904	17.2
87.04451	0.7
91.03968	1.0
97.02901	5.2
99.04472	0.6
109.02859	2.0
115.05447	1.4
119.04917	1.3
121.02855	2.1
127.03915	3.9
131.04910	0.9
133.06471	3.3
139.03957	0.9
143.04918	0.9
145.02802	3.5
145.04933	2.1
145.06412	0.9
147.04379	2.3
152.98004	0.6
153.01802	2.2
159.04424	0.8
160.05185	3.4
161.05971	5.5
163.03844	0.8
171.04375	1.6
173.02348	7.8
173.05994	1.3
175.03896	11.9
177.05463	2.4
185.05907	1.0
187.03891	5.6
189.05440	1.0
199.03920	4.2
201.05428	1.3
203.03368	17.0
211.03957	1.7
211.19763	0.7
213.05447	2.2
215.03331	1.0
215.63438	0.7
216.04147	2.8
217.04959	2.4
219.02884	10.0
225.05524	0.7
227.03345	3.7
229.04921	2.5
231.03043	0.7
233.04436	2.6
241.04909	4.5
243.02934	0.9
245.04449	100.0
246.04759	2.4
257.04434	12.3
259.05746	0.7
269.04456	8.6
276.24829	0.7
287.05466	3.0
291.34784	0.7
305.06546	43.5
306.06717	1.0
323.07712	1.6
407.09628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56623	4.0
60.36378	3.5
61.91918	3.7
69.22781	13.9
69.23199	25.1
78.64552	3.6
98.21469	8.2
98.97580	18.1
100.97287	4.3
116.98609	12.6
134.99643	8.7
177.00923	11.8
178.01164	4.8
179.33891	3.7
219.01958	12.0
234.96529	5.0
234.99956	11.3
236.99791	5.1
240.98743	4.2
243.01997	3.8
252.97458	9.7
256.96692	6.0
258.96478	10.3
258.99933	22.9
259.99869	7.4
260.99741	16.4
261.03049	28.5
262.03076	9.5
262.43805	4.5
262.99771	4.1
263.02765	4.4
274.97754	22.9
275.97839	8.2
276.97504	36.1
277.00946	37.2
278.00916	7.9
279.00800	22.3
280.00943	4.0
282.99954	43.7
284.00076	13.1
284.04636	5.7
284.99847	34.5
292.98828	6.1
294.98819	5.2
298.97803	21.9
299.97873	7.8
300.97559	38.5
301.01031	77.7
302.01160	23.8
303.00839	56.8
304.00955	9.5
311.79764	4.2
316.98843	40.6
317.98962	20.8
318.98608	63.7
319.02170	7.8
323.98007	4.2
341.99847	5.4
354.93729	8.3
359.40042	4.3
360.99786	11.5
396.95038	5.9
401.01163	15.7
402.01334	4.7
403.00894	12.9
404.01013	6.1
418.98822	7.8
425.00909	12.5
427.01108	16.3
441.99762	6.1
442.98700	46.4
443.02826	17.6
445.01974	45.0
446.02283	7.9
460.00342	4.4
460.99857	100.0
461.99719	6.9
462.95834	16.0
479.91324	4.4
480.96909	9.3
484.01270	12.3
485.01187	33.8
503.02689	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	484.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.07074	13.2
58.06590	1.4
67.05508	2.0
67.95354	0.3
69.07065	2.7
70.06205	0.7
70.06590	12.4
71.08630	7.2
73.02905	1.5
76.88676	0.3
77.60587	0.3
81.07047	2.4
83.08611	2.1
85.10185	2.7
88.07623	18.1
89.06030	0.3
91.05510	0.4
93.07047	0.4
95.08611	2.9
97.06492	0.4
97.10163	1.4
102.09175	11.6
106.08671	0.6
109.10145	1.4
114.72198	0.3
156.17531	0.5
165.86069	0.3
170.34766	0.3
183.48877	0.3
200.20079	28.1
201.20415	0.7
218.21123	2.9
228.21297	0.2
228.23206	19.6
246.24290	1.7
255.23181	1.2
256.26361	1.8
283.26279	21.1
284.26764	0.4
311.29422	25.1
312.29758	0.5
484.47226	100.0
485.47586	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	484.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34063	0.7
52.93253	0.6
53.03938	0.8
55.01866	3.1
55.05509	2.1
57.03439	6.6
59.04992	1.3
61.02915	3.3
67.05490	1.7
69.03429	10.0
69.07080	4.0
69.20219	8.5
71.01363	1.4
71.08630	42.5
73.02916	14.9
79.05495	1.1
81.03400	3.1
81.07055	4.1
82.07406	0.9
83.04992	0.7
85.02903	22.6
85.06570	0.9
87.04474	1.3
91.03941	0.9
91.05463	0.9
93.07056	2.8
95.08613	2.4
96.08990	0.7
97.02895	16.1
97.10187	2.0
98.10526	0.9
99.04430	1.2
99.08092	100.0
100.08477	0.8
103.03975	0.9
105.07034	1.2
107.08599	1.4
109.02866	2.1
109.10129	2.1
110.10530	0.8
115.03941	6.0
119.08569	1.4
121.10125	1.5
121.75519	0.8
127.03910	6.7
129.12743	11.3
133.04968	5.6
135.11685	1.0
138.09093	0.8
145.04948	7.1
149.09573	2.0
155.14326	2.8
156.10220	3.8
159.11790	0.7
163.06041	2.0
165.12581	0.7
166.53284	0.7
173.15373	74.0
175.03896	0.9
179.10660	0.7
180.11047	1.0
184.07350	1.0
207.06528	1.1
223.06029	1.6
241.07143	1.4
259.08252	1.3
304.23294	0.9
315.58786	0.7
333.54507	0.7
466.29694	1.0
484.29095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	31.9
67.05492	10.4
69.03410	8.3
69.07054	6.9
70.39354	2.0
70.95840	6.9
79.05489	4.2
81.03422	3.3
81.07052	6.2
85.02889	6.0
91.05462	2.5
93.07046	6.2
95.04980	3.8
95.08601	30.6
95.53094	2.5
96.38760	2.8
97.02883	3.0
97.06536	12.6
98.50378	2.6
99.10406	2.2
105.07022	6.4
107.04979	3.4
109.02869	29.3
109.10159	31.8
119.08582	12.7
121.10142	19.8
123.08060	47.1
133.06664	2.4
137.09610	25.7
139.11192	4.6
141.09126	12.6
147.08070	5.9
153.01833	3.0
160.54503	2.4
165.09106	30.6
173.07112	6.9
174.07486	3.9
183.10165	100.0
184.07310	3.8
184.10477	3.3
188.01460	2.8
201.11172	7.6
241.38164	2.2
245.71481	2.5
267.11328	3.0
268.11688	5.0
276.14221	3.0
285.12238	4.3
286.12381	4.2
287.14862	3.0
303.13391	4.5
304.13721	15.4
305.15649	2.4
322.14682	9.9
327.14420	4.0
341.37936	2.3
345.15549	12.8
422.20209	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	484.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68489	0.6
53.54437	0.6
56.05030	4.8
58.06596	13.1
68.05009	1.0
69.18504	6.8
70.06602	1.3
72.04514	16.8
74.06077	5.4
79.05462	0.5
81.07059	0.6
86.06063	52.4
88.07623	1.5
90.20046	0.5
91.05453	0.5
95.08605	0.7
96.08902	0.7
103.63373	0.5
119.08590	0.7
157.48470	0.6
172.46468	0.6
185.17618	0.6
224.25861	0.7
251.03575	0.9
267.08209	0.8
277.05161	0.8
293.09650	0.6
295.07559	2.2
299.07098	0.8
313.08563	1.1
323.07013	4.4
325.08588	1.0
327.06592	1.6
335.06699	1.0
340.07202	1.0
341.08209	1.4
343.06046	1.3
349.08386	0.8
351.06366	5.1
353.08197	1.3
354.05289	1.8
355.06055	1.2
369.07681	2.6
371.05496	6.4
377.07947	1.3
379.06091	1.8
380.06757	1.6
381.07626	2.5
383.05383	0.9
384.06119	1.1
385.06680	0.7
395.09241	2.7
397.07010	41.8
398.07449	2.0
399.08600	16.9
405.07816	1.6
411.08612	2.3
413.10144	1.0
422.10196	1.9
423.08585	9.8
424.07990	0.8
425.09583	0.7
436.11847	0.6
441.09775	0.9
455.10004	2.0
466.12833	5.2
469.11780	0.8
484.13904	100.0
485.14206	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	483.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58175	0.7
53.03925	0.9
54.32867	0.7
55.05519	0.9
59.04989	2.5
67.05507	2.2
69.03423	2.1
69.07065	1.8
70.77037	2.3
71.04995	3.1
79.05482	3.0
81.07054	12.0
81.98851	0.7
83.04965	2.1
83.05472	0.8
85.02898	2.4
91.05478	0.9
93.07067	3.9
95.04977	4.0
95.08603	4.5
97.02871	1.3
97.06522	2.5
101.06017	3.4
103.05429	1.1
105.07026	1.7
107.08572	1.6
109.02871	1.3
120.08096	5.5
121.10146	29.4
123.08079	1.0
123.11681	7.9
124.03995	0.9
125.05990	4.5
125.09676	1.3
127.03909	1.3
130.06522	2.4
132.04503	1.4
139.11183	7.3
143.10655	2.1
145.05045	1.0
147.04414	0.8
149.09642	4.0
157.07602	1.1
158.06058	1.7
167.10672	22.1
175.08723	1.7
185.11714	9.1
187.03871	1.0
218.21965	0.7
225.10577	0.9
239.11810	0.8
247.09497	1.0
267.11307	2.2
274.08282	1.3
284.32056	0.8
285.07599	1.0
285.12335	2.6
286.08127	1.3
293.10217	1.1
302.07886	2.4
303.05157	1.7
303.08481	1.9
303.13327	3.2
318.11295	0.8
320.09177	36.2
321.09503	100.0
322.09747	4.3
329.15860	3.0
483.08002	1.0
483.14716	15.4
484.14792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	8.9
59.38792	3.3
65.03931	6.0
67.05493	14.6
68.61993	3.1
69.03425	9.4
69.07049	7.2
69.15281	3.4
70.95680	6.3
70.96003	4.2
71.05001	8.6
76.40272	4.8
78.03486	3.3
79.05482	13.6
81.03419	5.5
81.07046	49.1
82.35165	3.3
83.04965	4.4
85.02887	10.1
91.05499	9.2
91.13806	3.2
93.07037	12.3
95.04961	16.2
95.08601	14.7
97.02893	5.0
97.06541	5.1
101.06029	5.1
105.07030	5.5
107.08588	9.5
109.02903	5.1
111.04445	18.8
119.07058	4.4
121.09336	6.3
121.10135	77.0
122.10403	3.7
123.11701	28.1
124.03990	7.4
125.05983	16.8
125.09621	9.5
127.03925	7.2
133.10103	3.5
137.02351	8.4
137.08116	6.0
139.03860	19.9
139.11186	30.4
143.10678	9.0
149.09622	12.3
153.01808	4.9
153.05461	9.8
162.79318	3.5
163.03960	5.6
167.10648	60.9
167.11938	6.0
185.11742	27.8
195.06561	6.5
229.04939	4.6
238.59618	3.7
303.04993	68.3
303.13364	3.8
304.05374	5.4
329.15805	9.6
347.03885	4.9
358.78491	4.0
423.07034	8.2
449.35339	3.6
465.08228	8.3
483.08862	28.3
483.14685	100.0
484.15189	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	483.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01864	0.6
57.03410	1.0
61.02911	1.9
67.05509	0.9
69.03414	5.4
71.20413	1.1
71.20735	0.9
77.87347	0.7
81.03394	2.4
85.02902	9.3
94.06577	1.2
97.02879	4.6
108.08122	0.8
109.02852	1.7
119.05000	0.8
122.06012	2.0
123.04398	1.3
127.03876	1.9
136.07503	1.2
139.03899	1.4
145.04956	1.3
145.64542	0.7
147.04405	0.7
153.01855	1.3
163.03871	0.9
169.08936	0.6
181.08829	1.0
183.09119	0.8
184.11169	0.9
185.07083	1.2
194.09737	1.7
195.09087	1.7
196.09898	7.3
197.10686	2.3
199.08447	0.7
206.08385	17.1
209.07036	1.9
209.10698	1.8
210.11490	1.9
211.08728	2.0
211.12262	10.6
212.09242	1.1
213.10172	1.3
215.03416	0.9
218.35085	0.6
220.09871	3.2
221.10732	9.1
223.08682	4.7
224.09444	8.0
225.10103	1.1
227.08279	3.2
228.08844	0.9
231.02718	1.1
233.13960	0.7
237.10185	3.7
238.11018	7.2
239.08167	1.4
239.11768	24.8
241.09705	2.5
252.09009	1.7
255.11227	1.2
257.12894	4.4
259.02377	1.3
261.12302	1.1
267.11267	56.9
268.09363	0.8
268.11890	1.1
272.11511	5.7
275.13806	0.9
277.03366	3.7
285.12317	62.2
285.98251	0.8
286.12714	1.9
287.13861	1.3
303.13367	100.0
304.13715	2.2
321.14374	5.8
387.13455	0.9
451.25266	0.7
465.18402	2.2
483.20340	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	483.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05496	2.2
57.03423	3.7
59.04988	3.2
61.02952	1.6
61.28821	1.5
65.03928	1.8
67.05505	4.0
69.03429	4.7
69.07066	1.8
70.06603	1.9
71.04990	5.4
71.50773	2.0
79.05492	6.5
81.03410	3.1
81.07069	15.3
85.02889	9.4
85.07045	1.5
91.05480	5.9
93.07040	5.6
95.04955	5.1
95.08610	7.3
97.02897	5.2
97.06516	4.4
105.07040	3.6
106.02914	3.6
107.08617	4.1
109.02863	2.4
109.10185	2.0
111.04449	5.9
119.07034	2.4
121.10141	31.6
123.11723	13.4
124.03929	5.3
125.06012	4.3
125.09633	7.0
127.03956	4.1
135.04385	1.8
137.02338	5.1
139.03925	9.1
139.11191	8.7
143.10680	5.3
146.55719	1.8
149.09631	4.3
153.01852	3.5
153.05537	3.8
163.03931	2.2
167.10690	22.8
169.12274	1.7
177.05466	3.9
185.11775	11.6
195.06541	2.6
250.07242	2.1
300.16486	2.0
303.04953	29.8
303.13174	3.2
304.05151	3.5
321.09692	1.8
329.15918	2.9
355.04599	2.8
423.07132	5.7
435.14474	2.4
437.70566	1.8
465.07748	2.5
483.08984	13.9
483.14822	100.0
484.09161	2.2
484.15265	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	483.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01883	0.9
57.03425	2.0
58.48052	0.8
61.02925	2.1
66.39175	0.7
69.03418	7.2
69.07077	1.4
70.69759	2.3
71.04993	1.0
73.02934	1.5
78.93150	0.6
80.95441	0.8
81.03426	2.9
85.02901	15.1
87.04462	1.5
91.05449	1.1
94.06551	3.8
97.02894	6.0
97.06527	1.1
99.04454	0.8
101.02321	1.0
102.73252	0.8
105.05746	1.6
108.08105	3.3
109.02878	1.4
112.07597	3.3
118.06565	4.8
120.08089	0.9
121.05229	1.8
122.06047	3.1
124.07569	1.3
127.03913	3.2
128.04982	1.2
128.77576	0.8
132.92795	0.8
136.07562	4.8
138.05557	0.9
139.03885	1.0
145.04980	1.4
145.07599	7.2
146.06030	4.5
146.08391	2.6
147.04376	1.8
148.07584	1.2
150.05502	1.1
152.07089	0.8
153.01781	1.3
158.58081	0.7
161.07166	0.8
162.05482	0.8
163.03931	1.5
164.07077	1.9
173.07101	44.8
174.07881	5.8
174.11533	1.6
175.12341	1.0
182.08250	0.8
184.11296	0.9
185.07242	1.1
186.09129	1.0
187.03801	1.0
189.10184	6.8
194.09680	1.1
196.09877	5.7
197.08415	1.0
197.10715	1.8
201.10304	1.3
202.10948	4.2
203.11824	7.4
206.08376	10.6
210.11438	1.1
211.12285	7.2
215.03511	1.2
220.10019	1.2
221.10777	4.9
221.12582	1.2
222.69832	0.8
223.08607	2.9
224.09462	4.2
226.11095	0.9
227.08160	2.6
228.12370	1.1
229.13409	3.4
230.11891	1.5
231.02837	2.4
232.12048	1.7
237.10242	1.7
238.10938	3.9
239.08055	1.0
239.11778	13.8
241.09735	1.3
243.11263	0.9
244.12088	7.0
247.14491	1.1
252.08932	1.0
257.12842	17.2
258.11240	2.5
259.02368	4.9
262.13107	3.5
267.11279	30.9
272.11609	2.1
275.13855	15.6
277.03409	17.0
278.03931	1.1
285.12320	44.9
286.12866	1.5
287.13867	1.7
290.12686	5.8
293.14999	2.4
303.01178	2.4
303.13364	100.0
304.13742	2.3
321.14429	67.2
322.15115	1.2
455.27991	0.8
465.18979	1.5
483.20081	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	483.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57268	0.8
53.29555	0.8
56.96556	1.3
57.03432	1.3
60.94516	0.9
61.02927	1.5
67.05481	1.4
69.03445	6.9
70.51901	1.2
70.52239	2.3
71.04978	1.7
73.02937	1.5
81.03414	4.0
85.02905	8.6
97.02889	4.1
109.02876	1.8
111.04436	1.5
123.04435	1.4
127.03915	2.2
135.04269	0.9
136.07607	1.1
137.06006	1.2
139.03873	2.4
144.08090	8.8
145.04953	1.4
147.04416	3.4
153.01811	7.0
153.05385	1.1
159.09201	1.7
160.07597	1.0
161.10707	1.6
163.03893	1.7
164.07074	1.0
169.01318	4.7
181.08788	1.9
183.09163	1.2
184.11255	1.3
194.09651	2.7
195.09222	2.9
196.09900	9.3
196.11214	1.0
197.10687	3.4
198.07858	1.0
199.08615	1.9
203.03334	1.0
206.08389	22.2
209.07028	2.1
209.10783	1.4
210.11542	1.3
211.12282	11.2
212.09383	1.0
220.09962	4.0
221.10701	8.4
223.08679	6.3
224.09442	9.2
225.10136	1.5
226.10942	1.4
227.08107	3.4
231.03011	1.8
237.10207	5.6
237.32225	0.9
238.10991	8.8
239.08098	2.8
239.11780	28.8
241.09747	2.5
252.08955	1.3
254.10619	1.6
257.12799	5.2
259.02353	3.1
267.11279	63.0
268.11646	1.3
272.11560	6.3
277.03464	8.1
285.12335	64.6
286.12567	2.1
303.04892	2.9
303.13373	100.0
304.13821	3.6
321.10571	1.6
321.14423	4.7
339.11148	3.3
363.11185	2.0
423.09103	1.0
446.01062	1.0
465.18579	2.1
481.31680	1.2
483.08600	1.8
483.15732	4.4
483.20282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31081	1.1
69.03421	2.9
70.95158	1.8
70.95493	1.3
77.00901	1.0
81.03428	1.2
82.55350	1.0
82.99861	2.3
85.02915	5.5
94.43088	1.0
97.02884	2.0
98.97610	1.7
101.00864	10.4
105.70208	0.9
109.02873	1.6
113.00871	3.5
116.98572	1.3
118.25050	1.1
119.01916	24.9
127.02401	1.1
127.03912	2.5
128.57919	1.0
131.01915	13.8
133.03474	2.5
134.77242	0.9
137.02966	3.0
139.02332	1.2
140.06845	1.0
143.01895	19.2
145.03474	11.5
147.05057	2.4
149.02930	2.4
155.01886	18.4
157.03499	6.6
161.01549	1.3
161.02953	24.6
163.04543	1.4
167.01875	7.2
169.03487	3.1
171.04997	2.2
173.01421	1.7
173.02951	37.1
173.07021	1.3
174.03116	1.5
175.04506	2.3
177.00928	1.1
177.02444	4.0
179.01889	3.0
185.02960	39.5
187.04524	4.4
191.04037	2.6
197.02950	17.7
199.72545	1.1
201.02444	38.7
201.05858	1.7
203.04018	15.7
208.04530	1.4
209.02969	3.3
213.02455	10.0
215.04013	10.3
219.03510	88.6
220.03659	4.3
221.05095	3.4
227.03970	10.0
231.03458	8.8
233.05135	1.3
237.02469	2.2
237.04594	5.1
239.11763	1.1
242.05121	4.8
243.03491	4.1
245.05074	100.0
246.05269	3.9
249.04570	7.8
255.03537	4.5
257.05087	7.1
259.02423	1.7
261.04578	16.0
263.06116	15.9
264.06207	1.3
267.11279	2.4
272.06360	1.4
273.04553	1.9
275.06104	14.5
277.03421	7.4
279.05765	5.9
285.04654	1.6
285.12311	4.0
286.07761	1.5
291.05606	1.4
291.09100	1.9
293.07147	5.4
303.05600	24.9
303.13382	3.5
305.07178	10.3
321.06686	35.8
321.10364	3.6
321.14493	2.4
322.07010	2.2
335.08182	4.1
339.07654	2.1
365.09180	6.8
483.11429	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17489	0.6
53.03940	0.5
55.01857	0.7
55.05501	1.5
57.03443	3.3
57.07043	0.6
59.04982	1.9
61.02911	0.6
67.05501	1.2
69.03430	12.7
69.07055	1.7
70.06579	0.5
71.04990	11.2
73.02924	2.1
73.06550	2.6
75.58935	0.4
79.05495	2.6
81.03416	0.7
81.06596	0.8
81.07054	12.4
82.59086	0.4
83.05033	0.5
85.02905	11.5
87.04465	8.3
91.03938	0.5
91.05466	1.0
93.07043	10.4
95.08605	1.9
97.02891	13.9
97.06514	1.0
99.04455	0.6
107.08577	7.6
109.10139	1.7
111.08047	0.8
115.03926	16.9
119.08597	0.7
127.03925	2.7
127.33161	0.4
133.04962	20.7
135.11688	17.0
145.04971	4.0
150.48795	0.5
153.12737	100.0
154.13040	2.3
157.04860	0.6
163.06006	1.5
165.69115	0.5
171.13803	2.0
177.05432	0.6
205.07037	0.6
223.06137	0.6
241.07118	1.1
259.08170	2.2
274.29553	0.4
277.09177	0.9
295.10162	1.9
327.31274	0.5
420.43082	0.4
458.06839	0.6
482.16895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81311	0.9
55.01862	2.0
55.05508	2.3
57.03424	3.7
59.04989	1.7
59.90001	0.7
61.02922	1.6
69.03419	4.8
69.07067	1.4
69.18596	0.8
69.77266	0.7
69.81340	4.2
69.81741	1.5
70.06583	3.4
71.01352	1.0
71.04991	13.6
73.02914	6.2
73.06549	1.8
75.53469	0.7
79.05488	3.3
81.07056	14.2
81.27573	0.9
85.02905	16.5
93.07046	11.7
95.08596	1.8
97.02895	10.5
97.06539	1.5
99.04409	1.1
105.07073	1.0
107.08585	7.9
109.02863	1.6
109.10121	1.2
115.03921	4.7
121.10117	1.5
127.03911	6.2
133.04956	8.6
135.11691	17.7
145.04962	6.6
149.22591	0.9
153.12741	100.0
154.13074	2.1
163.05986	4.1
171.13829	1.2
177.05507	1.7
183.70079	0.8
223.06038	2.8
239.19113	0.9
241.06944	1.0
248.04150	0.9
259.08102	2.4
313.73016	0.8
371.03583	0.7
377.17209	1.1
381.54089	0.8
482.22141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05477	1.9
57.03432	5.1
58.55943	1.7
59.04988	4.0
61.02908	3.4
67.05502	3.9
69.03426	23.4
69.07056	5.2
69.50723	13.5
71.04978	15.0
73.02914	18.1
74.82043	1.8
79.05481	7.2
81.03402	2.0
81.07054	15.4
83.08599	2.6
85.02898	28.2
85.84525	1.8
87.04454	8.5
91.05472	5.2
93.07030	21.2
95.08601	4.1
97.02875	24.0
98.20827	3.9
99.04455	3.0
105.07008	2.9
105.60839	1.6
107.08594	17.8
109.02834	3.7
109.06521	2.3
109.10143	5.6
115.03927	20.9
119.08577	4.6
121.10162	3.1
123.11647	1.8
127.03924	10.4
133.04959	23.8
135.11690	30.1
138.64169	1.8
145.04924	9.6
153.01811	2.1
153.12735	100.0
163.06001	5.2
165.12634	3.7
171.13887	2.4
241.07033	3.0
259.08167	5.4
285.16965	2.8
295.10211	3.9
315.17917	3.5
444.40698	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01858	5.0
55.05515	5.2
57.03422	8.6
57.07056	2.9
61.02911	6.3
65.03940	3.3
67.05498	6.0
69.03426	14.1
69.07057	12.5
69.80295	12.0
70.06571	6.6
71.04992	13.3
73.02911	18.5
79.05478	10.5
81.03395	7.0
81.07050	24.3
81.60899	2.3
83.04984	4.4
83.08611	4.6
85.02443	3.4
85.02906	47.1
87.04442	2.9
91.05445	8.0
93.03400	2.9
93.07038	25.1
95.04942	5.0
95.08592	12.3
97.02898	25.3
97.06518	4.6
98.21465	2.4
98.47621	2.1
99.04431	3.2
102.47625	2.3
103.03944	2.9
105.06976	5.4
107.04929	3.1
107.08582	21.8
109.02868	8.4
109.10139	6.2
111.04443	16.9
112.07549	5.0
115.03918	14.7
119.08576	7.8
121.10152	13.5
123.04431	3.9
123.08001	2.6
123.11691	3.6
125.13289	6.1
127.03921	14.7
133.04956	18.5
135.11667	35.0
137.02324	9.5
137.05946	2.7
138.09134	18.3
139.03880	31.2
139.11145	2.6
140.07036	4.1
145.04947	11.5
153.01819	11.9
153.12741	100.0
163.03897	3.1
163.06032	5.4
165.12679	5.4
166.08638	46.4
167.10637	5.5
169.12250	3.7
171.13765	4.0
177.05537	2.6
177.12775	2.5
179.07059	2.5
181.04959	10.0
195.06444	2.6
216.90833	2.5
229.04939	4.7
259.07996	5.2
303.04971	92.6
303.08398	5.3
304.05240	21.3
305.05615	15.5
306.05786	20.8
313.03372	8.4
315.17993	3.6
320.04779	5.5
327.76794	2.5
329.06436	5.0
331.04459	2.7
355.04349	5.0
358.48199	3.1
373.05667	2.8
409.35620	2.6
447.07120	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	482.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22835	0.1
55.01878	0.2
68.11389	0.1
69.03401	0.4
70.68874	0.5
71.04973	0.2
71.82088	0.1
74.25579	0.1
81.03403	0.2
81.07026	0.2
83.06061	0.1
85.02882	0.5
87.17537	0.2
89.30550	0.1
91.05495	0.2
93.06975	0.2
96.21922	0.2
97.02882	0.2
99.68199	0.2
109.02877	0.2
117.05788	0.2
120.04433	0.2
121.05252	0.4
121.10121	0.3
124.03944	0.3
131.04907	0.4
145.05229	0.4
146.05995	0.8
148.03886	0.2
149.04718	0.2
159.04384	0.2
159.06720	0.8
162.05527	0.3
163.03891	0.1
177.05530	0.2
187.03896	1.9
220.07616	0.2
228.08051	0.2
246.09074	1.0
247.07500	0.2
249.07790	0.2
256.07553	1.0
257.08328	0.5
262.08688	0.2
264.06622	0.2
264.10165	0.4
268.08224	0.2
272.07074	0.3
273.07663	0.7
274.08578	1.4
275.09479	0.2
284.06882	0.9
285.07855	1.4
286.08582	0.4
292.09665	1.5
301.07336	1.6
302.08078	3.9
303.08704	0.5
318.07623	0.3
319.08127	0.8
320.09155	100.0
321.09494	2.9
381.50043	0.2
482.14444	9.5
483.14789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01871	9.4
55.05510	26.3
57.03434	11.6
57.07071	3.8
65.03925	5.3
67.05132	4.1
67.05502	78.0
69.03086	2.2
69.03435	19.2
69.07058	27.4
69.41532	11.7
69.41953	4.1
71.04984	15.0
79.05489	39.1
81.03410	52.2
81.07050	76.6
83.04971	25.3
83.08613	20.5
85.02903	27.1
85.06537	10.0
91.05476	73.2
93.06493	4.0
93.07040	48.5
95.04966	25.7
95.08598	26.3
97.02878	4.2
97.06512	10.7
97.10152	9.6
98.21555	3.9
99.04445	6.2
99.08096	5.6
105.07024	73.0
106.07326	3.8
107.04960	5.8
107.08595	56.4
109.02881	4.5
109.06512	11.8
109.10152	85.7
111.04395	4.5
111.08113	9.5
111.11699	2.2
113.06007	7.3
117.07070	4.9
119.04945	3.9
119.08569	26.1
121.06504	5.5
121.10128	19.9
123.04421	2.2
123.08068	6.8
123.11678	17.8
125.05932	2.6
125.09615	8.6
127.03922	4.6
127.07538	6.7
127.11153	2.0
127.59063	1.7
129.06985	9.8
131.08539	17.2
133.06522	3.5
133.10121	100.0
134.10484	3.2
135.08038	4.3
135.11690	7.1
137.05971	6.4
137.09630	4.0
139.11195	5.8
142.07764	4.5
143.08504	4.2
145.10152	10.9
147.08043	3.8
147.11665	18.5
149.09622	7.0
149.13231	4.6
149.56248	2.2
151.07584	2.2
151.11177	50.1
153.12631	2.4
155.08669	1.9
157.10109	12.7
157.12218	2.3
159.07935	1.9
159.11690	6.0
161.09610	5.4
161.13266	3.6
163.11166	5.3
165.09053	2.9
165.12764	3.6
167.10612	2.1
169.10089	2.6
169.12210	11.5
171.11646	2.9
173.13242	3.8
175.03946	4.3
175.11205	13.7
177.05516	2.1
177.12834	2.2
179.10696	3.8
187.07629	2.1
193.12238	44.9
194.12541	3.9
207.06534	7.8
211.11284	2.0
211.13246	47.8
215.12712	3.8
217.15964	2.2
230.44527	1.9
253.14328	60.6
253.16882	3.7
267.15863	4.6
271.15289	3.2
273.22321	2.4
279.84027	2.2
301.21518	6.7
301.24997	2.2
301.29099	2.0
319.22745	3.9
425.99637	1.9
445.25650	3.5
463.26575	11.4
481.27866	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	481.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15624	1.3
52.28339	1.3
52.71559	1.2
53.03938	3.6
55.05515	3.0
59.04718	2.5
59.05003	48.4
63.99235	1.2
67.05506	18.1
69.03436	12.4
69.07066	9.0
69.78593	7.0
69.79021	2.1
71.04988	4.5
73.02910	1.2
79.05503	7.7
81.03407	3.5
81.07046	7.0
83.04977	11.0
85.02905	5.6
85.06564	1.6
91.05473	5.3
93.07045	9.8
95.04961	8.2
95.08605	39.2
95.27345	1.3
96.08882	1.7
97.02860	3.5
97.06527	18.6
97.10167	1.2
101.06011	11.7
103.05449	1.8
105.07043	7.4
107.04944	5.6
107.08603	2.8
108.05721	1.8
109.02876	38.0
109.10156	46.1
113.03480	4.4
119.04967	1.8
119.08572	18.2
121.10140	29.7
122.03661	3.6
123.08066	69.6
125.06005	4.3
127.03885	6.0
131.04985	1.3
133.10089	2.4
133.25267	1.2
136.07597	3.5
137.05977	25.7
137.09610	36.5
138.06230	1.5
139.03877	4.2
139.11153	7.6
140.02216	1.2
141.09106	19.7
143.08186	1.8
147.04381	1.5
147.08038	7.6
147.11473	1.4
149.06024	1.9
153.01807	3.8
161.09663	1.3
165.05440	1.5
165.09117	47.0
167.03371	2.5
167.10693	2.1
183.10170	100.0
184.78920	1.2
191.06955	1.4
201.11226	8.8
220.11887	2.3
237.09079	1.4
239.06628	2.1
265.08536	1.6
297.11209	3.4
302.04306	1.4
315.12427	1.8
319.04285	2.1
319.07559	1.8
327.14481	3.1
345.15384	12.3
359.69485	1.4
421.05365	1.7
481.17160	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	481.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41328	3.6
53.03938	5.1
57.03433	7.1
59.04716	4.5
59.04996	54.5
67.05504	20.8
69.03424	20.5
69.07051	10.1
69.99084	16.2
70.06584	7.3
71.04985	6.0
79.05490	14.0
79.25565	4.2
81.03394	8.1
81.07063	21.6
83.04959	5.0
85.02899	19.0
86.66607	3.7
91.05478	12.1
93.07045	26.5
93.19976	4.2
95.04948	12.6
95.08614	48.1
97.02869	9.9
97.06525	22.8
105.07029	13.5
107.04941	11.4
107.08571	9.5
107.71175	3.7
109.02870	46.1
109.10161	55.2
119.04924	6.1
119.08572	25.0
121.10150	53.4
122.06021	6.1
123.04445	6.0
123.08060	77.2
125.06007	7.1
127.03854	8.5
137.05983	19.2
137.09599	55.6
139.03886	7.3
139.11180	11.6
141.09103	14.3
146.06003	5.1
147.04413	7.1
147.08014	6.3
149.09621	11.1
153.01822	31.9
161.05951	6.6
163.03923	3.9
163.07506	5.1
165.09113	43.3
167.03342	8.9
167.10732	9.4
177.05290	4.5
182.75810	3.8
183.10161	100.0
187.08653	5.4
189.09045	5.2
191.06863	4.6
201.11223	10.1
207.10214	6.9
217.04919	4.9
230.36957	4.2
273.04047	7.0
286.04645	23.9
301.03561	6.5
301.07022	52.0
301.10562	4.3
301.11896	5.6
302.04022	8.3
303.04413	7.6
304.04782	14.6
317.06561	29.3
318.06958	22.5
319.03958	64.4
319.07214	40.8
319.16315	4.7
319.32535	3.9
320.04614	4.5
325.85211	4.5
327.05038	5.7
345.06171	7.9
345.15143	8.8
405.05881	8.4
421.09500	18.8
463.10208	14.5
463.16748	6.1
481.11325	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0975
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03942	0.9
54.53835	0.3
55.01865	0.4
57.03424	1.2
59.04987	0.7
61.02922	2.2
61.81733	0.3
68.99788	1.8
69.03424	3.6
69.81144	0.8
69.81569	1.3
70.06585	2.4
71.04984	0.6
73.02910	0.8
73.06665	0.4
74.06062	0.5
75.14336	0.3
81.03403	2.0
84.04513	1.9
85.02904	9.9
87.04449	0.4
88.40879	0.3
91.03947	0.8
91.05443	0.4
97.02889	4.4
99.04425	0.7
101.07153	0.7
109.02879	2.1
111.00819	2.1
115.03940	0.4
115.05482	0.4
118.06523	0.6
125.02399	0.5
127.03930	2.0
127.04762	0.3
129.44722	0.4
135.06845	0.4
137.02354	1.9
137.05942	2.1
145.04938	1.2
146.05994	0.6
152.14212	0.3
153.01830	11.9
153.05405	0.5
155.98064	0.3
163.03841	0.4
165.01840	4.1
165.09143	0.6
166.02589	0.9
177.05415	0.8
179.03401	2.1
183.02905	1.7
183.10170	0.6
189.05452	1.1
195.02892	1.0
203.03343	0.7
207.02817	0.4
217.04977	4.5
227.03308	0.6
229.05034	0.5
235.02275	0.6
245.04439	5.7
255.02884	1.0
263.05441	0.5
272.03244	0.4
273.03940	4.8
274.11990	0.3
283.02386	0.4
290.04172	1.6
297.11441	0.4
301.03461	1.1
319.04477	100.0
320.04724	2.6
438.54163	0.4
488.13245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.84306	0.5
52.88387	0.5
53.03930	0.8
53.59814	0.5
55.01863	0.9
57.03423	0.8
61.02659	0.5
61.02923	6.5
67.05495	1.2
68.99761	0.9
69.03413	1.8
69.22939	5.0
69.23355	1.0
70.06544	0.7
71.05003	0.6
73.02905	1.8
79.05523	0.6
81.03413	0.7
81.07058	1.5
85.02899	5.9
91.03940	2.7
91.05430	0.8
93.06992	0.5
95.04937	1.1
95.08586	0.8
97.02872	3.5
102.80641	0.5
104.10860	0.5
105.07012	1.0
106.02893	0.7
107.04945	0.7
107.08570	1.4
109.02865	0.7
109.10134	0.6
111.04377	0.5
115.05475	0.7
117.03332	0.4
121.02846	1.4
121.10122	1.7
123.04401	1.0
124.03900	0.7
125.02367	0.5
127.03895	1.6
129.95216	0.5
130.87961	0.5
137.02335	11.2
137.03314	0.5
137.06033	0.8
137.09613	0.5
139.03825	0.7
147.04387	1.0
149.09659	0.8
153.00975	0.4
153.01846	4.8
161.05956	0.5
162.57684	0.5
163.03934	0.6
165.01830	0.9
167.10626	0.6
169.01315	4.1
171.04375	1.0
175.03906	0.6
175.07336	0.6
177.05470	1.3
181.01363	1.4
183.02904	0.8
186.54544	0.5
189.05443	0.7
195.02957	0.5
199.03900	2.3
203.03409	0.9
217.04979	2.0
221.04478	0.6
227.03403	0.8
245.04451	3.7
249.03937	0.7
255.02716	0.9
273.03922	9.6
283.02353	0.8
290.04376	0.7
301.03418	8.0
301.11404	0.7
303.04987	1.6
305.05685	1.1
305.45547	0.5
319.04462	100.0
320.04773	1.2
353.66513	0.6
393.91473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32633	1.1
53.03945	1.5
54.84569	1.1
55.01867	10.7
57.03433	19.4
57.07079	2.1
59.04989	3.7
61.02925	8.8
61.62087	1.1
67.05497	4.3
69.03429	29.5
69.07066	59.4
69.35889	4.5
69.36317	5.3
71.01339	4.4
71.04988	2.8
73.02511	2.5
73.02915	36.1
79.05484	2.4
81.03411	5.2
81.07051	22.4
83.04979	2.6
83.57791	1.2
85.02904	56.0
87.04447	3.6
91.03976	2.9
93.07013	2.8
95.04946	2.2
95.08612	7.2
97.02888	48.0
99.04457	3.1
103.03938	2.4
105.07042	1.4
107.08578	3.1
109.02884	4.1
109.06509	2.7
109.10139	11.8
115.03925	23.4
123.04510	1.4
123.11701	100.0
124.12002	1.8
124.68688	1.3
127.03921	17.1
133.04965	36.9
144.06528	2.2
145.04942	22.0
149.09644	1.2
150.07607	2.9
151.11180	69.1
153.12694	2.2
163.05978	5.4
169.12233	8.8
193.04912	1.7
199.05991	1.7
217.07062	1.4
218.14954	1.2
223.06088	2.1
241.07014	4.3
259.08136	3.4
283.15442	12.1
304.05182	1.2
313.16223	3.4
318.06976	3.4
443.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
53.46225	1.5
55.01869	14.1
55.05496	3.1
57.03169	1.6
57.03436	27.0
57.07060	2.4
59.04986	5.4
61.02917	16.3
67.05495	4.8
69.03429	52.8
69.07067	73.9
71.01338	7.1
71.04971	6.4
71.06282	2.9
71.06657	2.3
73.02914	96.5
79.05484	3.7
81.03397	9.1
81.07056	27.1
83.04994	2.6
85.02901	100.0
87.04456	7.0
91.03951	3.7
93.07039	2.9
95.04958	1.8
95.08588	5.1
96.04562	2.4
97.02890	85.3
97.06505	2.5
99.04445	7.6
99.40792	1.7
103.03936	4.1
105.07034	2.6
107.08582	5.0
109.02858	9.6
109.06522	3.6
109.10166	11.7
111.04384	1.8
115.03927	49.4
119.08545	2.4
121.10127	3.2
123.11700	97.9
127.03911	34.3
129.05444	3.0
131.04916	3.1
133.04961	49.6
133.10123	2.7
137.13240	2.6
144.06520	4.9
145.04951	44.4
145.09932	2.0
146.87489	1.8
149.09583	1.8
150.07611	3.0
151.11176	70.7
152.11635	1.9
156.06555	2.3
163.05983	11.8
169.12247	11.3
180.08641	2.5
180.60007	1.9
193.05115	1.9
195.06612	2.3
196.06909	2.7
199.05963	1.7
202.05305	1.9
217.07137	1.7
223.06009	7.8
241.07065	10.3
259.08038	6.2
277.09174	2.4
283.15344	30.6
295.09885	2.1
313.16360	2.2
317.06601	2.8
318.06824	8.8
318.15161	2.2
352.76334	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	480.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05144	0.5
56.05018	2.7
57.03424	0.8
58.21931	0.6
58.99563	2.0
65.82645	0.5
69.03405	1.0
69.23287	6.4
70.02959	1.2
70.06564	0.7
73.02901	1.2
76.04015	2.8
81.07072	1.2
82.05324	0.8
82.06560	0.7
83.06106	5.1
84.04507	38.2
85.02879	2.4
86.00613	0.8
86.99044	1.5
88.02192	0.7
88.03970	1.1
91.05447	1.0
93.04492	0.7
95.08634	0.6
96.04520	0.7
97.02848	0.9
98.20781	1.1
99.05560	1.7
102.05496	0.9
102.24594	0.6
104.23556	0.6
107.06085	1.3
107.08601	0.7
109.06512	0.9
109.07636	7.5
109.10126	1.9
110.99012	2.5
111.08068	2.1
111.42282	0.6
114.05436	0.7
115.05432	1.0
116.01686	4.8
116.37112	0.6
119.04903	0.8
121.02851	4.5
121.10058	0.5
123.11691	2.9
129.06592	5.6
130.04987	7.2
130.06496	0.8
131.04962	1.3
135.05521	0.9
140.01717	0.7
144.01085	1.1
145.06099	1.6
146.05998	0.7
147.04420	3.4
151.11131	1.2
153.06636	4.0
155.08142	6.1
159.04402	1.5
160.05161	0.9
162.02238	0.9
162.05513	1.0
163.03903	2.0
166.44615	0.6
168.54895	0.6
169.12239	7.7
171.06674	0.6
173.02316	4.0
174.03699	2.5
174.05295	1.0
175.02278	1.1
175.03889	10.5
176.04694	1.2
177.03279	0.9
177.05379	1.3
181.06100	3.3
186.05495	2.7
187.02104	2.4
187.03860	1.9
190.03236	0.9
190.04984	16.2
191.05573	0.7
198.05458	4.7
199.06169	5.8
201.04239	0.7
202.03279	6.2
202.04987	94.2
203.01630	11.2
203.03513	0.9
203.05391	2.2
204.99574	0.9
207.01134	2.6
214.04999	14.8
215.01573	2.3
215.05739	6.9
216.06573	4.2
219.01089	2.1
221.02666	9.2
230.02705	54.3
231.01115	41.3
231.03261	3.5
232.01947	0.7
232.04276	16.2
233.02771	1.2
233.04799	0.9
237.57280	0.7
241.02756	2.6
242.04755	0.8
248.03719	28.0
249.04190	0.7
257.07663	2.5
258.02090	1.4
259.00613	4.6
260.05774	0.8
271.37637	0.7
276.03195	1.9
277.01773	0.8
280.06140	0.8
287.04388	3.8
296.03610	1.0
303.04834	2.1
304.05316	2.7
314.04803	6.6
318.06958	0.7
333.05396	100.0
334.03873	3.1
342.04373	2.1
351.06448	45.7
352.06784	1.9
359.06918	2.0
389.99197	0.6
399.06354	0.8
405.07504	43.4
406.07755	1.9
417.07452	2.3
462.09064	0.8
463.08069	2.6
480.10767	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	480.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05144	0.5
56.05018	2.7
57.03424	0.8
58.21931	0.6
58.99563	2.0
65.82645	0.5
69.03405	1.0
69.23287	6.4
70.02959	1.2
70.06564	0.7
73.02901	1.2
76.04015	2.8
81.07072	1.2
82.05324	0.8
82.06560	0.7
83.06106	5.1
84.04507	38.2
85.02879	2.4
86.00613	0.8
86.99044	1.5
88.02192	0.7
88.03970	1.1
91.05447	1.0
93.04492	0.7
95.08634	0.6
96.04520	0.7
97.02848	0.9
98.20781	1.1
99.05560	1.7
102.05496	0.9
102.24594	0.6
104.23556	0.6
107.06085	1.3
107.08601	0.7
109.06512	0.9
109.07636	7.5
109.10126	1.9
110.99012	2.5
111.08068	2.1
111.42282	0.6
114.05436	0.7
115.05432	1.0
116.01686	4.8
116.37112	0.6
119.04903	0.8
121.02851	4.5
121.10058	0.5
123.11691	2.9
129.06592	5.6
130.04987	7.2
130.06496	0.8
131.04962	1.3
135.05521	0.9
140.01717	0.7
144.01085	1.1
145.06099	1.6
146.05998	0.7
147.04420	3.4
151.11131	1.2
153.06636	4.0
155.08142	6.1
159.04402	1.5
160.05161	0.9
162.02238	0.9
162.05513	1.0
163.03903	2.0
166.44615	0.6
168.54895	0.6
169.12239	7.7
171.06674	0.6
173.02316	4.0
174.03699	2.5
174.05295	1.0
175.02278	1.1
175.03889	10.5
176.04694	1.2
177.03279	0.9
177.05379	1.3
181.06100	3.3
186.05495	2.7
187.02104	2.4
187.03860	1.9
190.03236	0.9
190.04984	16.2
191.05573	0.7
198.05458	4.7
199.06169	5.8
201.04239	0.7
202.03279	6.2
202.04987	94.2
203.01630	11.2
203.03513	0.9
203.05391	2.2
204.99574	0.9
207.01134	2.6
214.04999	14.8
215.01573	2.3
215.05739	6.9
216.06573	4.2
219.01089	2.1
221.02666	9.2
230.02705	54.3
231.01115	41.3
231.03261	3.5
232.01947	0.7
232.04276	16.2
233.02771	1.2
233.04799	0.9
237.57280	0.7
241.02756	2.6
242.04755	0.8
248.03719	28.0
249.04190	0.7
257.07663	2.5
258.02090	1.4
259.00613	4.6
260.05774	0.8
271.37637	0.7
276.03195	1.9
277.01773	0.8
280.06140	0.8
287.04388	3.8
296.03610	1.0
303.04834	2.1
304.05316	2.7
314.04803	6.6
318.06958	0.7
333.05396	100.0
334.03873	3.1
342.04373	2.1
351.06448	45.7
352.06784	1.9
359.06918	2.0
389.99197	0.6
399.06354	0.8
405.07504	43.4
406.07755	1.9
417.07452	2.3
462.09064	0.8
463.08069	2.6
480.10767	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01866	4.8
55.05503	23.9
57.03433	13.3
57.07071	3.5
62.06093	1.5
65.03930	1.9
67.05499	80.0
69.03418	3.3
69.07064	28.6
71.01323	1.7
71.04977	8.5
71.52855	1.9
79.05487	64.7
80.05801	1.8
81.03410	39.1
81.07049	100.0
83.04977	20.5
83.08613	25.4
85.02900	27.5
85.06535	5.4
91.05470	56.9
92.05790	1.4
93.07034	67.7
95.04381	2.5
95.04962	30.5
95.08594	33.9
97.02899	2.8
97.06515	13.1
97.10165	6.1
98.98527	1.5
99.04447	1.9
99.08102	1.6
103.05460	2.0
105.04531	2.2
105.07021	34.7
107.04961	6.9
107.08582	33.4
109.06513	8.0
109.10148	6.8
111.04436	2.5
111.08064	14.3
113.05976	3.0
115.05447	2.4
117.07009	12.5
119.08563	21.8
121.06506	2.4
121.10125	22.1
123.08087	4.5
123.11678	4.0
125.09664	3.3
129.06993	9.5
131.08557	24.6
133.06432	4.0
133.10121	19.3
135.08020	2.4
135.11684	9.9
137.09566	1.7
142.07765	3.4
142.57474	1.6
143.08546	3.0
145.10136	4.1
147.08011	4.5
147.11685	16.1
147.47966	1.6
149.09621	5.8
149.13242	28.2
149.14392	2.0
151.11165	3.3
157.10100	11.3
159.11682	14.6
163.11171	1.8
165.12770	3.7
171.11751	1.8
175.11182	15.1
177.12770	5.5
181.04945	3.9
193.12224	47.5
195.13872	9.2
211.13275	42.9
211.15289	1.8
227.32326	1.4
267.15924	6.5
269.17496	5.1
303.05042	11.5
306.27792	2.1
307.28214	12.9
317.06589	3.9
338.27716	6.0
351.23218	2.1
369.23950	2.7
387.25104	2.3
443.27695	2.7
461.28864	10.5
479.30038	67.7
480.30228	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.2
53.23092	1.2
55.01860	4.0
55.05503	4.0
56.57351	1.3
57.03428	5.7
61.02926	12.4
67.05492	6.9
69.03429	32.5
69.07051	3.8
69.91521	4.6
71.05004	2.7
73.02892	5.4
79.05489	12.9
81.03408	17.1
81.07049	18.8
83.04977	10.7
83.08633	1.9
85.02902	82.1
87.04465	4.7
91.03937	5.9
91.05471	5.2
93.07035	11.5
95.08602	17.3
95.62437	1.3
97.02892	29.4
97.06525	100.0
99.04484	6.6
101.55244	1.4
105.07026	11.3
107.08585	10.0
109.02867	9.0
109.06510	80.1
109.10137	9.5
119.08586	9.7
121.06499	3.5
121.10143	9.9
123.08068	10.8
123.11696	4.0
127.03906	20.4
131.08551	5.2
133.09271	1.5
133.10138	8.6
135.08049	3.9
135.11707	5.8
143.08559	3.6
145.04950	25.5
145.10107	4.2
147.11693	6.1
149.09644	5.3
149.13234	6.9
157.10086	3.2
159.11693	5.8
161.09663	2.0
161.13283	4.0
163.11182	4.4
163.14861	3.7
171.11639	4.1
173.13310	7.7
175.14815	2.4
177.12730	4.0
177.16354	3.3
183.11794	1.9
185.13240	5.5
187.14763	3.0
189.16344	2.4
191.14259	1.4
199.14772	3.1
201.16493	1.5
203.14246	3.8
203.17931	5.4
205.72676	1.4
211.14789	2.3
213.16400	2.4
215.17949	1.6
217.15854	1.6
217.19579	2.6
225.16348	2.6
227.17963	1.7
229.15782	2.0
246.28323	1.4
253.19687	1.8
255.21246	2.0
273.22284	1.5
281.22614	20.1
283.24173	5.7
292.80246	1.4
299.23676	82.9
300.24139	2.9
301.25296	8.3
317.24716	16.0
479.30011	46.7
480.29800	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01876	3.7
55.05506	27.9
57.03434	13.1
57.07072	2.9
62.49115	1.9
65.03928	5.2
65.72984	2.0
67.05502	79.0
69.03424	4.2
69.07063	25.0
69.17802	12.8
69.18230	7.9
71.04976	7.7
79.05492	67.2
81.03418	51.4
81.07052	100.0
83.04974	17.8
83.08615	34.5
85.02900	28.6
85.06535	6.4
91.05476	63.5
93.07037	64.2
93.07629	2.2
95.04967	30.7
95.08600	28.5
97.06522	14.7
97.10165	5.9
99.08087	3.4
103.99584	1.7
105.07030	33.4
107.04947	7.3
107.08591	36.3
109.06532	8.0
109.10140	6.9
111.04453	2.6
111.08089	16.6
115.05463	4.2
117.06995	12.6
119.08580	22.5
121.06512	5.9
121.10139	24.0
123.08058	5.4
123.11689	6.0
125.09608	3.3
129.07016	13.1
130.57944	1.9
131.08571	19.0
133.06461	3.3
133.10106	18.2
135.11697	9.6
137.09691	2.1
142.07759	2.6
143.08540	2.7
145.10124	4.4
147.08124	4.1
147.11693	15.2
149.09627	5.5
149.13260	24.0
149.58379	1.9
151.11087	2.1
157.10115	10.0
159.11670	13.7
163.11125	4.1
165.12791	3.1
175.11180	14.5
177.12659	4.4
193.12230	52.7
195.13795	12.1
211.13281	48.3
216.22771	1.8
231.13649	1.8
267.15952	7.6
269.17575	6.7
278.32590	2.3
303.04944	3.7
341.24875	3.0
369.24274	4.1
387.25369	6.4
405.26456	2.7
443.28009	2.1
461.28781	12.9
461.34439	2.1
479.30002	73.4
480.30359	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01860	5.3
55.05244	1.8
55.05510	27.7
57.02382	1.3
57.03444	11.9
57.07068	2.4
65.03932	3.4
67.05503	75.9
69.03421	3.0
69.07067	24.0
69.16969	2.7
69.17368	11.9
71.05003	8.1
71.08620	1.2
79.05489	61.1
81.03418	47.9
81.07052	100.0
83.04987	15.9
83.08616	31.5
85.02905	25.1
85.06535	7.0
91.04904	2.7
91.05478	55.6
93.07040	64.4
94.07348	1.5
95.04379	2.6
95.04962	35.9
95.08601	26.5
97.02898	1.3
97.06515	13.5
97.10157	5.9
99.08106	2.9
105.04516	3.1
105.07030	32.1
107.04960	6.0
107.08585	38.0
107.09312	1.9
109.06520	6.7
109.10166	7.3
110.14987	1.6
111.04412	2.6
111.08078	14.9
113.06017	2.5
115.05442	3.1
117.07001	12.0
119.08572	19.9
121.06486	3.4
121.10138	19.5
123.08051	3.7
123.11700	5.0
125.09636	3.4
129.07005	10.0
131.08557	19.7
133.06496	2.9
133.10126	17.0
135.08057	2.9
135.11673	8.3
137.09648	2.2
142.07788	3.1
143.08574	2.1
145.10150	6.0
147.08084	2.9
147.11691	15.5
149.09550	7.1
149.13260	26.2
151.11107	2.7
157.10117	13.1
159.11673	11.4
163.11156	1.4
165.12776	5.2
169.14616	1.2
173.13184	1.7
175.11159	11.8
177.12721	7.6
177.64697	1.2
193.12239	51.0
195.12126	1.8
195.13802	12.1
196.11743	1.5
199.14835	2.1
201.12709	2.0
211.13286	50.3
213.14914	1.5
217.15962	1.5
251.16367	1.4
267.15939	5.4
269.17404	6.3
285.17145	1.3
303.04895	3.2
317.06845	1.7
341.24677	1.8
343.22531	2.4
351.22931	2.4
369.24344	5.1
372.57907	1.3
387.25137	6.8
396.70560	1.3
405.26654	1.6
430.45697	1.2
461.28998	14.6
479.30035	82.9
480.30255	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
54.77063	1.5
55.01863	6.6
55.05270	2.8
55.05511	31.6
56.96550	1.8
57.03445	17.8
57.07060	3.5
57.78312	1.8
65.03933	4.4
65.15318	1.7
67.05502	86.0
69.03416	5.4
69.07071	32.3
69.49165	11.3
71.01363	2.4
71.04988	11.0
73.02904	2.8
79.05491	59.9
81.03413	52.2
81.07054	100.0
83.04974	19.7
83.08617	29.4
85.02904	30.1
85.06549	8.0
91.05475	60.9
91.06030	3.8
93.07042	77.3
95.04965	45.2
95.08605	30.9
97.02899	4.4
97.06510	15.8
97.10181	5.5
98.21492	2.8
99.08081	5.1
105.07030	35.1
107.04952	7.1
107.08593	38.6
108.15123	1.9
109.06506	8.3
109.10159	8.8
111.04442	6.4
111.08066	17.3
113.06004	2.5
115.05463	2.2
117.07004	12.4
119.08577	24.7
121.06525	4.0
121.10133	25.0
123.08054	3.8
123.11687	5.0
125.09655	4.6
129.06976	13.2
131.08563	28.3
133.06487	3.2
133.10124	20.5
135.08092	3.1
135.11674	9.6
137.09653	2.4
142.07710	2.2
145.10164	2.9
147.08031	5.8
147.11688	18.3
149.09637	8.0
149.10663	1.9
149.13266	27.0
151.11176	3.8
157.10158	15.0
159.11696	18.4
163.11192	3.2
165.12749	3.7
175.11159	12.7
177.12796	6.3
182.21994	1.8
189.11217	2.9
191.14272	2.1
193.12231	52.8
195.13840	10.8
199.14905	2.0
205.72102	1.7
211.13278	57.9
214.32230	1.5
267.09082	3.2
267.15915	7.3
269.17535	6.1
285.10223	4.6
303.04950	10.4
317.06589	7.8
341.64264	1.6
343.22751	6.2
351.23184	2.0
361.23883	2.0
369.24255	6.1
380.53281	2.0
387.25101	7.9
435.27368	2.2
461.29047	10.8
479.30072	73.7
480.30478	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.4
51.02371	1.9
52.97963	1.4
53.03936	5.9
54.00388	1.3
54.31491	1.2
55.01857	5.7
55.05508	29.1
57.03436	14.8
57.07058	1.8
57.24856	1.5
59.04978	1.9
63.41930	1.5
65.03923	5.1
67.05502	80.2
69.03420	4.6
69.07067	23.9
71.01338	1.6
71.04976	5.9
71.52145	2.2
79.05491	72.1
81.03415	52.0
81.07053	100.0
82.07371	2.0
83.04977	17.1
83.08616	31.7
85.02901	24.1
85.06528	6.5
91.05476	60.3
93.07040	76.8
94.07350	1.5
95.04970	33.3
95.08607	31.7
97.02872	2.2
97.06528	17.9
97.10155	6.2
99.04475	2.2
99.08072	3.1
100.18087	1.3
105.04498	3.7
105.07026	34.7
107.04947	8.2
107.08586	39.3
109.06518	8.5
109.10164	7.8
111.08067	16.5
113.05981	3.7
115.05429	1.9
117.07001	10.3
118.26157	1.3
119.08584	22.8
120.08907	2.1
121.06506	3.9
121.10142	26.4
123.08041	4.1
123.11681	3.4
125.09605	3.5
129.06998	9.6
131.08563	22.4
133.06433	2.1
133.10123	21.7
135.08047	2.9
135.11705	7.6
137.09579	2.1
142.07803	2.5
145.10130	4.4
147.08070	4.8
147.11690	17.1
149.09625	4.5
149.13249	32.8
151.11128	2.0
153.09146	1.6
155.08540	3.7
157.10132	12.5
159.11690	14.5
161.09592	1.6
165.12790	3.8
175.11162	16.2
177.12744	6.0
193.10454	3.3
193.12231	57.9
194.12595	1.6
195.13818	11.8
199.19615	1.3
206.95996	1.5
211.13275	62.8
212.13638	2.1
249.14932	1.9
267.16006	9.0
269.17490	6.4
285.17020	2.0
303.05084	2.4
328.13528	1.4
351.22906	1.5
369.24347	4.1
387.25128	5.8
443.27988	2.4
447.47189	1.5
461.28949	10.4
470.26025	1.3
470.91940	1.4
479.30020	91.3
480.30212	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	479.1774
Annotation	nonacene
Peak:m/z	Relative Intensity
51.17459	0.4
53.03937	0.7
53.56549	0.4
55.01875	0.5
57.03428	1.7
61.02919	1.3
69.03428	4.7
70.06600	0.5
71.01353	0.6
71.05001	1.5
71.51565	0.9
73.02913	0.6
75.04487	0.4
78.16109	0.4
81.03403	0.7
82.56670	0.5
83.04953	0.5
83.77560	0.5
85.02909	1.1
95.04956	0.6
97.02852	0.9
99.04453	0.9
109.02859	0.5
116.51367	0.4
123.04439	4.3
125.09691	0.6
127.03864	1.0
137.02309	0.4
137.05954	0.5
137.09697	0.6
139.03937	0.8
144.08070	4.9
147.04378	1.0
147.09335	0.5
149.09544	0.5
151.03941	1.2
153.01848	1.6
159.09180	1.9
161.10782	1.0
163.03937	1.2
165.05489	0.8
166.08641	0.5
171.09190	1.8
172.31516	0.5
173.10762	1.4
174.11494	1.0
174.80818	0.4
183.09225	1.7
184.08575	0.5
184.09962	0.8
185.07135	0.8
185.10735	15.0
186.10313	0.5
187.08684	1.2
197.07063	0.5
197.10728	0.8
198.10236	0.6
199.08711	1.3
200.09450	0.5
201.10269	1.6
210.10318	0.8
211.08620	0.6
213.10237	3.7
215.11763	0.8
226.09810	1.6
228.11328	0.5
231.11275	1.8
239.08195	1.3
240.11330	3.2
241.09705	29.6
242.10011	0.5
243.07727	0.6
257.09219	0.7
259.10782	5.2
268.07266	0.6
271.05908	0.6
284.10263	3.0
285.08997	1.6
287.10260	1.0
298.07089	0.7
299.10733	1.4
302.04190	1.3
303.05276	2.3
303.08304	0.6
309.08835	0.6
310.08264	3.6
317.06628	4.2
317.11108	2.5
319.16660	1.2
327.10883	12.6
328.09149	3.2
345.11896	7.2
365.17111	1.3
374.16928	0.7
375.15521	19.6
375.20316	0.9
376.15918	0.5
393.16495	5.7
418.16238	0.6
419.14792	0.9
436.17172	1.0
437.15448	0.8
461.16760	4.0
462.15036	8.5
479.17746	100.0
480.18042	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	479.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.71091	0.4
55.01862	0.9
55.05505	0.4
57.03428	1.4
59.04993	0.4
61.02922	3.2
65.03938	0.5
67.05502	0.9
69.03426	11.0
69.07066	0.6
71.01342	0.5
71.04981	1.4
71.51200	0.7
73.02905	1.6
79.05508	0.7
81.03412	4.2
81.07055	1.2
85.02898	16.7
85.06547	0.4
85.97485	0.3
87.04446	2.5
88.42206	0.4
91.03926	0.9
91.05474	1.1
93.07045	1.2
95.04971	0.9
95.08619	1.4
97.02891	7.3
97.06573	0.5
99.04441	2.5
105.07032	0.9
107.08580	1.2
109.02855	2.7
109.06503	0.5
109.10152	1.4
119.08573	0.8
121.02863	1.3
121.06554	0.5
121.10132	1.3
123.04411	2.3
123.08051	0.8
125.05957	0.5
127.03907	3.9
131.08615	0.5
133.10107	0.5
137.02335	3.5
137.05951	1.3
137.09650	0.6
139.03870	0.6
141.05482	0.4
143.08554	0.5
145.04921	2.5
147.04413	0.7
149.09630	0.8
151.03911	1.4
151.07529	0.5
153.01802	1.8
161.06042	0.6
163.03902	0.7
165.01880	0.6
165.09201	0.5
167.03394	3.6
170.09607	0.4
177.05536	0.4
179.03433	2.0
179.07051	0.4
182.08400	0.5
187.07582	0.4
197.04474	0.7
197.10735	1.7
201.05344	0.6
209.07014	0.6
210.07907	1.3
215.07007	1.8
224.09409	0.6
225.10222	5.7
227.11743	0.5
228.04074	1.1
228.08827	0.4
229.04961	0.8
240.08942	0.7
243.06488	2.5
246.05363	0.4
253.09636	2.6
255.11292	1.4
257.04407	0.7
257.09213	0.8
261.07568	1.0
268.08466	0.7
271.06076	2.3
271.10715	4.5
273.03995	0.9
274.04791	3.6
277.08698	0.6
281.09109	0.8
285.03934	0.9
288.06244	0.8
299.10251	36.5
300.10538	0.8
302.04132	5.2
302.90430	0.4
303.04974	10.1
317.06567	100.0
317.11276	59.4
318.06891	4.2
318.11447	1.0
479.11703	1.6
479.17001	9.3
480.17352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01864	3.8
55.05495	3.2
57.03450	1.7
58.19623	1.1
59.04984	1.4
61.47291	1.0
67.05485	4.2
68.05019	2.6
69.03426	10.5
69.07063	1.7
70.06590	94.4
71.01336	2.3
71.04971	2.9
71.50951	1.8
73.02891	3.2
79.05486	3.3
79.59463	1.0
81.03410	6.7
81.07053	8.1
83.01369	1.2
83.04983	1.8
84.69207	1.0
85.02905	9.7
85.06513	1.3
86.06049	5.9
91.05473	4.5
93.07025	4.7
95.04952	3.4
95.08629	6.6
95.91624	1.2
96.04477	2.6
97.02876	5.3
97.06503	3.2
97.07668	1.3
99.04446	4.8
102.32494	1.2
105.07004	4.9
107.08581	4.5
107.41325	1.1
109.02882	5.9
109.06506	2.2
109.10120	3.9
111.04403	1.9
111.08089	1.4
113.07124	100.0
114.05505	2.7
115.08662	5.8
118.07949	1.2
119.04945	1.8
119.08611	2.4
121.02854	1.6
121.06503	1.9
121.10106	5.2
123.04453	5.7
123.08052	3.2
123.11710	1.6
124.07565	1.8
125.09637	2.1
127.03912	34.2
131.04861	1.4
131.08530	1.3
133.10100	2.1
135.04395	1.4
135.08015	2.2
135.11548	1.1
137.02318	3.3
137.05949	4.7
137.09625	2.9
139.03886	1.6
139.11169	2.1
141.01810	1.2
141.05511	2.4
141.06572	31.9
145.02881	1.9
145.04961	8.7
145.05969	1.3
145.06477	1.0
145.10104	2.2
147.04379	4.0
147.08073	1.7
149.09610	3.2
151.07487	1.8
153.01797	5.7
153.05450	1.3
155.08501	1.2
157.10048	1.2
159.07654	19.4
159.11707	1.7
161.05933	1.2
163.03864	4.0
163.11130	1.4
165.01869	2.0
165.05548	1.4
165.07060	1.6
165.09074	2.1
167.03358	1.6
167.07156	1.9
167.08562	1.3
167.10690	1.8
173.05975	1.4
177.05467	3.8
177.09193	2.0
191.14215	1.2
197.05997	1.8
201.05493	1.8
201.08717	8.6
202.04939	1.4
207.06450	2.4
211.07588	1.2
213.05406	2.4
221.06084	1.6
229.04953	3.2
231.09798	3.1
233.08139	1.3
239.06966	2.7
249.05603	1.2
257.04425	2.3
261.10800	4.8
265.84692	1.2
267.06500	18.4
267.09720	4.5
268.06732	1.4
274.04648	2.0
285.04041	1.9
285.10794	56.8
299.09244	1.5
302.04324	5.6
303.04971	46.6
303.08459	2.7
303.11713	6.2
304.05356	2.0
317.06552	34.9
317.20886	1.4
318.06863	1.5
371.12201	1.5
403.51331	1.3
413.13345	1.4
417.14240	1.8
461.15549	2.1
461.25928	1.5
479.15546	4.9
479.26385	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	479.1185
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.15661	0.2
52.94270	0.2
57.03429	0.2
61.02904	0.3
65.03931	0.3
65.63214	0.2
67.05493	0.3
69.03419	1.7
69.07095	0.2
69.91729	0.9
69.92134	0.4
71.05007	0.3
72.85381	0.2
77.48537	0.2
79.05490	0.4
81.03413	0.8
81.07045	0.6
83.04996	0.2
85.02911	1.8
86.09692	0.3
87.04448	0.3
91.05490	0.3
93.06971	0.3
95.04989	0.3
95.08624	0.4
97.02890	1.5
97.06544	0.4
99.04443	0.3
107.04939	0.3
109.02871	0.6
109.10167	0.3
110.03671	0.6
120.08105	0.4
121.02847	0.4
121.10155	0.9
123.04429	1.5
123.08060	0.9
123.11692	0.4
124.07574	0.5
125.05954	0.2
127.03912	0.8
135.49205	0.2
137.02322	1.7
137.05925	0.3
138.09113	0.6
139.03879	0.5
145.04942	0.4
145.06615	0.2
147.04379	0.3
151.03864	0.4
153.01819	1.4
161.05988	0.2
163.03877	0.5
167.03432	0.6
167.07005	0.2
167.10701	0.3
179.03401	0.3
181.05031	0.4
192.02843	0.3
197.06172	0.3
200.04669	0.7
204.04204	0.6
210.03996	0.6
213.10233	0.3
217.04906	0.4
228.04134	2.6
229.04932	1.3
241.09668	0.2
245.04411	1.3
246.05342	0.4
256.03677	0.9
257.04306	1.1
271.05981	0.7
273.04010	0.7
274.04706	3.8
285.03995	1.5
287.10226	2.4
289.07153	0.4
289.11902	0.3
289.15369	0.4
299.10254	0.7
301.03421	9.8
301.11917	0.4
302.04199	33.5
303.04788	0.9
311.05249	0.3
317.06549	100.0
318.06967	1.8
359.08047	0.3
430.28897	0.2
479.11768	26.9
480.12170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03918	0.1
57.03416	0.2
61.02927	2.0
68.99833	0.1
69.03380	0.4
69.75387	0.9
73.02867	0.5
85.02898	1.7
91.03948	1.2
97.02880	0.9
98.21543	0.2
109.02752	0.2
110.03603	0.4
121.02877	0.2
123.04431	0.2
126.36546	0.1
127.03844	0.4
137.02301	1.1
153.01772	0.7
154.77237	0.1
155.80286	0.2
164.73553	0.2
167.03299	0.2
193.01279	0.2
200.04616	0.3
204.04221	0.4
217.04993	0.2
218.05708	0.2
228.04175	1.9
229.04999	0.6
241.55927	0.1
243.06453	0.2
245.04613	0.8
246.05240	0.3
256.03638	0.4
257.04327	0.5
261.07483	0.2
265.00464	0.2
273.03928	0.4
274.04712	3.4
285.04007	1.0
301.03421	7.1
302.04196	23.7
303.04745	0.3
317.06540	100.0
318.06897	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	479.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07638	0.1
52.85733	0.1
53.03941	0.6
55.01876	0.5
57.03437	0.9
57.91407	0.1
59.04994	0.1
61.02607	0.1
61.02921	1.8
62.61714	0.1
64.18006	0.1
65.03941	0.2
66.89529	0.1
67.01852	0.2
67.05495	0.1
68.99788	0.1
69.03425	3.1
71.04974	0.4
73.02905	0.6
76.82280	0.1
81.03413	1.7
81.07034	0.1
83.01343	0.2
85.02901	8.2
87.04457	0.4
91.03943	0.6
91.05471	0.2
93.03389	0.4
93.07017	0.1
95.04944	0.5
97.02886	3.1
99.04441	0.5
101.02345	0.1
105.06911	0.1
107.05051	0.1
107.08593	0.1
109.02883	1.1
111.04424	0.2
119.04964	0.1
121.02860	0.9
121.06538	0.1
121.10123	0.1
123.00824	0.1
123.04420	1.9
124.01540	0.6
125.02339	0.6
127.03914	1.5
128.06239	0.1
134.03645	0.1
135.04388	0.3
137.02332	3.3
137.03346	0.1
137.05940	0.5
139.03883	0.1
141.05460	0.2
145.02808	0.2
145.04942	1.0
145.06099	0.1
145.06526	0.1
149.02322	0.5
150.03168	0.1
151.03903	1.1
151.07523	0.5
155.04871	0.2
159.08052	0.2
161.06000	0.1
163.03879	0.7
167.03391	4.5
169.06462	0.1
173.05966	0.1
179.03378	2.1
180.04201	0.2
183.04382	0.2
184.05270	0.2
187.03922	0.2
187.07582	0.4
191.03450	0.2
191.06961	0.1
193.04926	0.1
195.10182	0.2
197.04401	0.9
197.05965	0.1
200.04671	0.6
209.04480	0.2
211.03874	0.2
213.05481	0.1
215.07007	1.9
218.05797	0.1
219.02835	0.2
219.06462	0.1
221.04411	0.1
228.04184	0.6
233.06059	0.1
233.08102	0.4
242.05811	0.1
243.06516	4.6
246.05170	0.2
253.05057	0.1
256.03650	0.3
257.04465	0.3
261.07559	0.7
271.06006	2.5
273.03900	0.6
274.04721	4.1
288.06219	0.8
289.07031	0.2
299.05536	0.9
301.07065	0.1
302.04208	2.7
303.04807	0.2
316.05911	0.1
317.06525	100.0
318.06866	2.2
329.06564	0.1
333.06412	0.1
359.07715	0.2
479.12210	0.3
487.34021	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	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01851	0.9
57.03416	1.1
61.02900	1.0
67.05491	0.7
69.03423	4.1
71.04973	0.8
73.02905	0.8
81.03424	2.4
81.07027	1.1
84.94418	0.5
85.02898	9.9
87.04472	0.6
91.03924	0.7
92.02618	1.0
93.03368	1.5
93.07041	0.8
95.08564	0.8
97.02872	3.8
97.06485	0.6
97.19238	0.5
98.21365	2.4
107.13966	0.4
109.02870	1.5
121.02872	0.7
121.10101	1.2
123.04366	0.5
123.11694	0.7
127.03915	1.5
131.20248	0.5
132.05482	0.5
137.05940	0.7
139.03877	0.8
145.04936	1.6
151.03928	0.6
153.01796	7.2
161.06000	0.5
165.01854	0.8
177.05472	1.1
200.04907	0.5
201.05426	1.0
203.03510	0.6
217.04779	0.9
228.04146	1.1
229.04953	3.2
245.04378	0.9
246.05270	1.8
257.04419	2.9
273.03906	1.9
274.04626	3.7
285.03906	3.7
302.04181	15.6
303.04916	5.1
317.06525	100.0
318.06900	2.9
333.06125	0.6
334.73083	0.5
359.07291	0.6
395.24881	0.5
447.99741	0.5
452.53796	0.6
479.12207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03918	0.3
55.05495	0.7
57.03422	0.3
61.02915	0.3
67.05489	0.8
69.03428	1.1
69.07044	0.6
69.85648	1.1
73.02908	0.4
79.05489	0.9
81.03415	1.0
81.07041	0.7
83.08606	0.4
85.02890	1.3
91.03925	0.3
91.05473	0.7
93.03403	0.5
93.07025	0.9
95.04952	1.2
95.08601	1.0
97.02880	0.6
97.06535	0.2
97.10153	0.5
98.21492	0.4
105.07012	0.9
107.04959	2.0
107.08570	0.9
109.02854	0.8
109.06505	0.4
109.10124	0.7
111.08059	0.2
117.07001	0.3
119.06227	0.2
119.08575	0.5
121.02831	0.5
121.06477	0.3
121.10117	0.6
123.04428	1.8
123.08080	0.2
123.11710	0.5
124.01524	0.4
125.02303	0.7
125.09634	0.5
127.03880	0.5
128.06184	0.2
131.08572	0.5
133.10133	0.5
135.07996	0.4
135.55917	0.3
137.02315	2.2
137.06009	0.3
137.09564	0.2
139.03842	0.3
141.05473	0.3
143.08598	0.3
145.02789	0.4
145.06473	0.3
145.10132	0.2
147.11673	0.5
149.02309	0.3
149.09641	0.6
149.13266	0.2
151.03970	1.0
151.11151	0.3
159.08011	0.3
159.11653	0.4
160.21214	0.2
161.09627	0.2
163.03857	0.7
163.07527	0.3
165.09099	0.4
167.03380	4.8
169.08603	0.3
171.08054	0.2
175.11180	0.4
177.05424	0.3
179.03387	1.4
180.04195	0.3
183.04396	0.2
183.11638	0.2
187.07509	0.4
197.04440	0.8
200.04688	0.3
201.05508	0.3
209.04404	0.4
211.09674	0.5
215.07095	1.6
220.63899	0.2
228.04153	0.6
243.06497	4.3
256.03604	0.4
257.04465	0.3
261.07629	0.6
271.05991	2.5
273.03943	0.3
274.04721	3.4
280.71518	0.2
288.06287	0.6
289.06921	0.2
299.05469	0.9
299.20096	0.2
302.04221	3.1
303.04984	1.0
317.06522	100.0
318.06882	1.9
352.62616	0.2
375.24667	0.2
386.23932	0.3
406.28098	0.2
461.28558	0.2
479.11810	3.2
479.18457	0.4
479.26654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03940	0.5
56.15150	0.4
57.03443	0.7
58.65580	0.4
61.02910	2.1
69.03429	3.4
70.84793	0.8
70.85167	1.1
73.02885	0.7
81.03404	1.7
85.02902	8.4
91.03941	0.9
97.02891	3.3
109.02876	1.2
121.02845	1.5
123.04421	2.2
124.01539	0.6
127.03904	1.0
137.02319	3.1
145.04912	1.4
151.03917	1.4
157.39795	0.5
165.25700	0.5
167.03383	5.0
173.07495	0.5
177.05333	0.6
179.03371	1.4
200.04692	0.7
215.07057	1.3
228.04021	0.8
233.08072	0.7
243.06505	4.4
256.03516	0.6
256.34262	0.5
261.07541	0.8
271.06021	1.8
274.04733	3.7
299.05591	0.6
302.04132	2.8
303.90750	0.5
317.06549	100.0
318.06818	2.9
428.80130	0.5
448.15237	0.5
465.02277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
57.03418	0.9
61.02921	6.5
67.05496	0.9
68.99794	0.5
69.03439	1.9
69.07043	0.6
71.51272	0.5
73.02924	2.2
79.05481	0.5
81.03394	1.5
81.07043	1.2
82.78654	0.3
85.02907	7.4
91.03953	3.0
91.05469	0.9
92.02608	0.8
93.03393	1.0
93.07025	1.1
95.04955	0.9
95.08617	0.7
97.02891	3.4
99.04450	0.8
105.06993	0.6
107.08582	0.5
109.02869	1.2
115.03880	0.5
117.06963	0.4
119.04890	0.5
119.08585	0.6
121.02857	1.5
121.10172	1.0
122.03632	0.5
123.04398	1.0
123.08049	0.4
123.11707	0.4
126.03061	0.4
126.94542	0.3
127.03914	1.1
131.08565	0.4
133.10074	0.6
135.08058	0.4
137.02313	1.3
137.05971	3.5
139.03873	1.4
143.57747	0.4
145.04951	0.7
145.10170	0.5
147.04416	0.9
149.09558	0.5
149.13280	0.4
151.03899	1.3
151.07532	1.9
153.01808	7.4
161.05991	1.6
161.09563	0.5
163.03896	0.7
163.07457	0.6
165.01808	1.1
165.09111	0.8
174.30946	0.3
175.07567	0.7
177.05446	0.8
177.09050	0.4
189.09126	0.9
195.10175	1.0
201.05434	1.3
202.04994	0.8
203.03419	0.8
203.06964	0.6
207.10229	0.5
217.04915	0.6
219.02888	0.4
228.04147	1.4
229.04941	4.1
237.05653	0.4
245.04501	1.2
246.05257	1.4
256.03677	0.6
257.04456	2.9
265.08533	0.5
273.03958	2.2
274.04703	4.9
283.09705	0.4
284.03143	0.5
285.04010	4.4
290.15591	0.4
297.11227	0.6
299.12622	0.3
301.03479	0.8
302.01385	0.3
302.04199	14.4
303.04962	14.7
303.08426	0.8
317.06534	100.0
318.06943	2.3
333.05664	1.6
340.12592	0.4
479.15103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0818
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01863	0.3
57.03437	1.1
59.84552	0.1
65.03930	0.2
67.01869	0.2
68.99788	1.0
69.03423	0.5
69.16830	1.1
71.00970	0.1
71.01357	2.1
73.02915	3.4
75.04469	0.3
81.03423	0.2
83.01334	0.2
85.02905	9.1
89.02378	0.1
90.43107	0.1
92.37805	0.1
92.56120	0.1
93.03424	0.4
95.01332	1.2
95.04967	0.4
97.02903	0.5
97.96195	0.1
99.00835	0.6
101.02397	0.5
103.03948	0.6
109.02875	0.7
111.00799	1.2
113.02362	4.1
117.01851	0.2
117.07027	0.1
119.05064	0.1
121.02866	1.0
123.04430	0.3
127.03894	0.2
131.03400	2.2
131.04877	0.1
133.02690	0.1
133.06584	0.1
133.48518	0.1
135.04405	0.3
137.02339	4.0
137.03415	0.2
137.05905	0.1
141.01825	1.7
145.02879	0.1
145.06494	0.3
149.02336	0.3
153.01825	5.4
155.04922	0.4
159.02898	2.0
159.04289	0.2
161.05992	0.4
163.03915	0.7
165.01833	2.3
166.02632	0.3
173.05998	0.7
177.01843	0.1
179.03343	0.2
183.02893	0.9
183.04431	0.4
187.04013	0.5
191.03427	0.3
191.06961	0.1
195.02902	0.3
201.05458	2.1
205.04958	0.3
207.02881	0.2
209.53902	0.1
211.03874	0.2
213.05476	0.1
215.03326	0.1
219.02869	0.2
219.06502	0.3
228.04134	0.3
229.04956	5.5
230.05444	0.1
232.03876	0.1
239.03467	0.2
245.04393	0.1
246.05321	0.1
247.06079	0.8
257.04431	3.0
274.04785	1.0
275.05496	0.3
278.61908	0.1
285.03934	1.4
293.28183	0.1
302.04239	0.2
303.04977	100.0
304.05322	3.0
315.04764	0.2
317.02951	0.1
317.06665	0.1
327.05060	0.1
345.05890	0.1
410.12195	0.1
422.47275	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	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.48387	1.5
53.03949	1.9
55.01878	1.8
55.05509	17.6
57.03431	5.7
57.07069	2.4
57.40194	1.6
58.69125	1.6
61.66700	1.7
62.06084	33.7
67.05502	35.9
68.05831	1.8
69.07068	16.3
69.47530	12.3
70.07372	1.3
71.04982	2.4
74.30139	1.5
79.05485	14.6
81.03429	1.8
81.07056	37.2
82.07417	2.0
83.04965	2.4
83.08633	9.7
90.11224	1.4
91.05482	9.2
93.07041	19.1
94.07375	3.0
95.04946	3.7
95.08597	23.7
97.06526	3.6
97.10162	4.2
97.88165	1.6
98.06039	1.9
98.20790	3.3
98.98456	8.5
99.08133	1.5
105.07047	8.1
107.08585	10.4
109.10158	9.9
111.08066	2.4
117.07003	2.7
119.08568	4.2
121.10142	7.0
123.11736	3.2
124.01572	1.7
125.09601	1.7
131.08601	2.4
133.10136	5.2
135.11729	3.1
147.11726	3.8
149.13261	2.8
155.01035	6.2
159.11664	2.0
161.13319	1.7
173.02065	2.0
216.06319	3.4
232.01553	1.7
245.22679	2.6
263.23740	6.5
303.04868	2.4
306.27878	23.8
337.27356	100.0
338.27591	5.1
388.17249	1.7
391.12567	1.6
460.27774	4.4
478.28986	8.7
479.29703	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
54.17186	1.1
55.01878	1.5
55.05506	3.1
57.03424	3.6
58.79528	1.0
59.04996	1.1
60.25800	0.9
61.73561	1.0
65.03929	1.4
67.05495	3.1
69.03428	13.5
69.07062	1.1
71.04111	1.9
71.04440	1.8
71.04971	2.7
72.18394	1.2
73.02924	1.5
75.04475	2.4
79.05488	15.1
81.03419	13.3
81.07050	4.5
81.16442	1.2
83.04964	2.6
85.02904	12.2
85.86991	1.0
87.04439	2.3
91.05475	13.7
93.07037	63.5
94.07375	1.4
95.04964	4.8
95.08587	3.0
97.02885	8.1
97.06495	1.2
99.04430	3.2
105.04458	1.7
105.07034	9.6
107.08583	12.0
109.02861	8.7
109.06513	2.0
109.10102	2.5
111.04406	2.1
111.08067	2.3
117.07033	1.3
119.08559	20.4
119.09891	1.2
121.02845	2.3
121.06505	3.1
121.10135	100.0
122.09593	1.2
122.10497	1.4
123.08012	2.4
123.11764	1.4
125.09603	1.5
127.03891	5.5
129.05470	2.3
129.06972	1.3
131.04912	1.2
131.08571	6.6
135.08101	1.5
137.02313	3.1
137.05951	3.4
139.11156	3.3
145.04965	4.4
147.08023	1.3
149.09610	68.9
150.09964	1.5
165.01859	1.5
165.09050	1.6
167.03323	1.8
167.10661	22.0
175.03885	1.5
219.06804	1.1
229.04819	1.4
243.06573	2.1
257.04401	2.3
274.04688	3.2
283.15320	1.6
286.04556	5.3
287.05084	6.2
293.13766	13.7
299.10336	2.1
301.07034	4.4
302.04233	2.4
302.07281	10.2
303.04971	12.7
311.14896	24.4
312.15146	1.7
317.06531	48.4
333.05969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.05502	14.5
67.05498	34.3
69.03442	3.5
69.07063	16.7
70.55016	10.7
71.04989	25.6
79.05490	28.0
80.05831	4.8
81.03427	6.5
81.07054	42.0
82.07379	3.9
83.04978	8.4
83.08617	9.8
85.06541	13.9
91.05468	21.9
93.07030	43.7
95.04993	8.1
95.08606	42.2
97.06498	7.4
97.10162	13.7
105.07027	24.1
107.04924	3.9
107.08590	56.5
109.10158	38.9
117.07021	7.9
119.08565	28.1
121.10123	29.4
123.11682	12.9
125.09624	39.5
127.11196	11.8
129.06975	4.3
131.08546	10.0
133.10123	21.7
135.11641	25.5
137.13240	9.8
141.09312	3.1
143.08499	3.7
143.10669	100.0
145.10127	16.5
147.11688	25.7
149.13284	14.6
157.10080	3.5
159.11691	21.1
161.13249	13.4
163.14857	7.0
171.11731	6.5
173.13298	7.4
175.14743	9.9
177.16379	3.9
187.14835	14.5
189.16386	15.2
191.17909	23.7
199.14742	4.6
201.16420	9.9
203.17953	9.9
207.17427	12.4
213.16351	3.9
215.17877	9.5
217.19519	9.7
219.17351	3.8
233.19012	6.7
347.59283	3.6
349.83676	3.5
405.35205	6.5
405.55914	4.2
423.36252	37.4
431.36884	6.7
441.37222	31.3
459.38358	19.1
477.30637	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	477.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01862	2.0
55.05507	7.4
57.03423	1.7
57.07083	0.5
58.03373	0.5
59.04958	0.5
62.03555	0.5
64.03753	0.4
65.03913	0.9
67.05502	16.6
69.03429	3.3
69.07064	3.8
69.42021	3.3
69.42445	1.3
71.04981	1.7
73.70306	0.5
79.05488	10.4
81.03419	8.1
81.06597	1.0
81.07052	14.9
83.04966	4.5
83.08625	4.6
85.02887	1.0
85.06532	1.5
91.05472	8.5
93.07047	10.1
95.04964	6.1
95.08607	17.6
97.02896	0.6
97.06521	2.7
97.10184	3.4
99.04443	0.8
99.08099	1.5
105.03403	0.7
105.07027	9.7
107.04955	4.9
107.08584	7.7
108.05737	0.8
108.08154	0.8
109.02893	1.3
109.06516	2.9
109.10152	12.9
111.04504	1.0
111.08074	1.4
115.05454	0.8
116.10758	0.6
117.07016	3.3
119.04904	0.9
119.08576	6.5
121.06527	4.2
121.10126	5.4
123.04407	0.6
123.08070	10.8
123.11718	7.8
125.05992	0.7
125.09615	3.6
127.03912	0.6
129.06995	3.3
131.08568	4.5
133.06502	1.2
133.10124	4.9
135.08092	3.6
135.11696	2.3
137.05956	1.5
137.09599	5.5
139.07515	0.7
139.11159	0.8
141.07043	0.6
141.09091	0.8
143.08572	1.6
145.06511	2.1
145.10098	2.6
147.04430	1.1
147.08055	2.8
147.11652	3.7
149.06052	0.8
149.09604	3.1
149.13263	1.2
151.07538	100.0
152.07840	1.2
153.01767	0.6
153.09077	1.3
155.08551	1.4
155.10689	1.2
157.06468	0.8
157.10153	3.1
159.08063	1.0
159.10411	0.5
159.11716	2.1
161.05974	0.8
161.09608	3.4
161.13229	0.7
163.07564	0.6
163.11180	2.4
165.09108	29.2
165.12744	0.7
167.08592	0.8
169.10156	1.3
171.07979	0.7
171.11723	1.9
173.09653	1.5
173.11700	1.5
173.13170	1.3
175.07545	0.6
175.11200	5.5
175.14877	0.6
177.09135	2.1
177.12701	0.8
181.10123	1.3
185.09587	1.1
185.13245	1.2
187.11227	2.0
187.14816	0.6
189.08965	0.7
189.11154	1.3
189.12764	2.7
191.10660	6.3
193.12180	3.6
195.11627	0.8
197.13254	0.8
199.11192	1.7
201.11136	1.0
201.12823	1.2
203.10681	0.7
205.12231	4.4
211.13240	1.0
213.12730	1.3
215.14265	1.7
217.12222	1.2
219.13788	0.8
221.15257	0.6
227.12679	0.9
231.13882	0.9
233.15395	2.4
235.13225	0.8
239.20189	0.6
255.13754	0.6
257.04428	6.5
267.15863	3.1
273.14819	1.6
285.03909	20.1
286.04291	1.8
287.20151	0.9
293.24792	0.8
294.04071	0.5
297.18530	1.5
300.06271	12.7
301.06448	0.7
303.06470	1.8
303.19504	2.7
315.08609	43.4
316.08923	3.9
317.06607	1.0
333.20856	0.7
339.23215	1.0
349.21658	1.4
357.24020	0.7
367.22626	5.0
385.23648	6.8
395.29550	2.2
403.24802	2.3
413.30630	3.7
423.28906	0.8
431.31537	1.1
441.25937	0.9
459.27234	7.4
477.09293	1.1
477.28528	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	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	2.3
55.05511	7.3
57.03425	1.8
57.07079	0.5
65.03922	1.0
67.05504	16.1
69.03435	2.9
69.07068	4.6
71.04984	2.1
71.51663	1.0
77.03944	0.7
79.05492	10.8
81.03419	8.7
81.06595	1.0
81.07057	14.9
83.04987	3.0
83.08610	3.9
83.43798	0.5
85.02885	1.3
85.06525	1.6
91.05473	12.4
93.06487	0.9
93.07038	10.4
95.04973	6.9
95.08604	18.2
97.02895	0.9
97.06524	1.9
97.10178	4.3
99.08096	1.3
105.06396	1.0
105.07027	10.2
107.04966	4.5
107.08588	7.0
108.08109	1.0
109.02880	1.8
109.06493	3.0
109.10154	12.8
111.04448	1.4
111.08067	1.8
115.05457	1.1
117.06996	2.5
119.08573	6.6
121.06506	3.4
121.10149	5.4
123.04456	0.9
123.08063	13.4
123.11702	6.9
125.05956	0.7
125.09629	3.6
128.06198	0.6
129.07031	3.2
130.35872	0.6
131.04918	0.8
131.08556	4.8
133.06487	1.8
133.10127	5.4
135.08041	3.2
135.11684	2.4
137.05963	1.8
137.09596	6.4
137.13293	0.7
139.07500	1.0
143.08536	2.0
145.06496	2.2
145.10110	3.6
145.84399	0.5
147.04420	1.0
147.08037	2.4
147.11691	3.4
149.09592	3.7
149.13272	1.4
150.09209	1.0
151.07538	100.0
152.07910	1.5
153.09081	1.0
153.12677	0.6
155.08572	1.4
155.10683	0.8
157.06439	0.7
157.10120	2.8
159.08044	1.4
159.11665	1.1
161.09598	4.2
161.13197	0.7
163.07536	0.9
163.11185	1.9
165.09113	28.9
165.12712	0.8
169.10132	1.3
171.08081	1.0
171.11679	1.9
173.09645	1.6
173.11798	0.9
173.13248	1.6
175.07571	1.0
175.11198	5.9
177.09134	2.2
179.10693	0.7
181.10158	0.7
183.11609	0.7
185.13185	0.8
187.11206	1.4
187.14867	0.7
189.09004	1.3
189.11189	1.7
189.12750	2.2
191.10649	8.6
193.12257	4.9
195.11621	0.8
197.09526	0.7
197.13197	1.2
199.11214	2.4
201.12814	0.9
203.10709	1.5
205.12253	4.0
211.13139	1.0
213.12666	1.2
215.14320	1.6
217.12219	1.1
219.13776	0.9
223.13301	0.7
227.12729	1.1
231.13708	0.7
233.15456	2.6
235.13210	1.1
245.15324	0.8
249.14563	0.9
257.04398	7.8
257.15604	0.6
267.15897	1.9
272.16492	0.6
273.14819	0.7
285.03928	21.1
285.07074	1.2
285.18484	0.6
286.04340	1.5
287.20074	0.8
293.24576	0.7
297.18271	0.8
300.06259	9.7
303.06549	2.5
303.19379	3.4
315.08615	40.2
316.08994	2.6
317.06705	1.0
339.23273	0.9
349.21674	1.8
357.24103	1.0
367.22668	4.7
385.23669	7.4
395.29407	2.3
403.24670	2.4
413.30502	3.7
431.31473	2.3
450.73416	0.8
459.27118	6.7
477.09775	1.0
477.28592	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.0
55.05511	70.8
57.03422	11.0
67.05140	3.7
67.05502	67.6
69.03422	9.3
69.07067	20.5
69.42796	7.8
69.43200	20.3
71.04980	7.1
79.05492	72.0
81.02934	3.5
81.03417	50.5
81.07044	50.2
83.04980	9.5
83.08616	33.5
85.02906	5.8
85.06541	6.6
91.05476	48.5
93.07043	35.3
95.04959	36.1
95.08597	27.1
97.06503	9.6
97.10172	53.9
105.07047	37.4
107.04959	37.7
107.08593	36.7
109.06496	13.0
109.10159	18.0
111.08094	8.5
113.06100	3.4
117.07018	19.0
119.08604	22.9
121.06497	41.5
121.10117	18.3
121.29537	3.4
123.08047	12.0
123.11683	3.5
125.09614	36.5
128.06281	3.3
129.07018	18.5
131.04935	8.3
131.08565	27.2
133.06497	10.9
133.10110	11.7
135.08049	12.2
135.11655	4.7
141.06985	5.0
143.08568	10.5
145.02551	3.0
145.06493	25.6
145.10129	14.1
147.08049	13.4
147.11653	13.2
149.09612	8.3
151.07562	3.7
153.09109	11.1
155.08553	7.6
157.06517	6.0
157.10118	9.2
159.08037	8.1
159.11667	6.9
161.06007	4.7
161.09616	6.6
163.11168	3.6
169.10159	7.0
171.08025	5.0
171.11685	6.9
173.09634	5.3
173.13335	3.6
175.11160	12.9
175.12602	2.8
181.10120	3.8
185.09567	4.8
185.13168	6.1
187.11147	7.1
187.14853	5.0
189.11221	27.2
189.12704	5.0
193.12236	35.0
195.11697	5.4
199.11241	7.4
205.12270	5.0
211.13188	5.1
213.12682	5.4
215.14301	8.2
217.12349	5.8
225.12776	6.1
227.12613	24.3
227.14740	3.6
231.13704	6.1
233.15395	22.8
241.14304	5.6
243.13687	3.5
245.15442	8.2
249.14792	5.2
255.13847	6.0
257.15320	5.1
259.13364	3.9
267.15891	24.4
273.14816	14.6
289.17899	4.4
291.15906	3.9
303.06433	6.7
339.23044	8.1
341.21106	10.3
349.21640	17.8
357.24258	10.6
359.21872	4.0
367.22696	49.3
367.27264	2.6
385.23712	82.2
403.24796	38.5
419.25708	3.2
433.25806	13.1
441.26248	9.3
449.28674	3.5
459.27396	100.0
477.28452	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.2
55.05508	57.9
57.03422	13.8
65.03937	8.1
67.05500	61.2
69.03405	10.6
69.07059	25.5
71.04971	3.9
71.25178	9.1
79.05490	62.0
81.03418	69.2
81.07051	67.6
83.04976	17.3
83.08613	34.0
84.37349	4.1
85.02878	8.1
91.05463	53.9
93.07041	39.2
95.04964	37.4
95.08599	37.5
97.06512	7.3
97.10162	54.5
105.07028	39.5
107.04943	40.0
107.08582	37.5
109.06509	13.2
109.10143	15.7
111.08076	10.6
115.05489	5.6
117.06997	21.4
119.08577	29.1
121.06499	31.0
121.10124	12.8
123.08046	16.2
123.11674	4.6
125.09612	35.8
129.06999	19.9
131.04897	7.4
131.08560	27.8
133.06477	12.9
133.10106	16.7
134.30374	4.1
135.04398	4.3
135.08057	18.2
139.07518	4.5
142.07753	3.9
143.08554	12.4
145.06496	23.7
145.10130	14.3
147.04401	5.2
147.07996	15.1
147.10641	3.6
147.11691	16.1
149.09575	9.9
151.07500	27.8
153.09093	7.3
155.08586	6.5
157.06508	4.2
157.10094	22.3
159.08078	6.1
161.09657	5.3
161.99326	4.3
163.11171	5.1
169.10097	8.5
171.07976	5.0
171.11703	6.4
173.09598	5.1
175.11139	17.0
181.10069	3.9
189.11208	28.3
193.12239	55.3
199.11121	6.3
207.11552	3.7
211.13211	22.8
213.12804	7.1
215.14250	5.8
227.12733	21.8
231.13785	6.2
233.15396	24.7
241.14339	6.6
245.15489	6.6
249.14880	7.4
255.13739	7.7
267.15872	17.4
273.14841	16.4
299.40121	3.8
339.23007	8.9
349.21515	16.7
357.24249	13.6
367.22592	59.1
385.23706	89.1
403.24744	35.1
433.25748	5.7
441.26208	9.0
459.27374	100.0
477.28430	83.1
479.25452	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	477.2847
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
50.76507	3.3
51.93976	3.3
55.01856	16.2
55.05515	70.4
57.03426	11.0
67.05186	4.8
67.05505	66.5
69.03416	7.6
69.07063	22.9
69.54803	13.1
69.55235	13.2
71.04978	7.3
79.05493	70.6
81.03421	53.1
81.07056	67.2
83.04969	15.1
83.08620	31.1
85.06504	5.2
85.80556	3.7
87.07632	3.2
91.05484	49.5
93.06511	3.6
93.07050	49.5
95.04967	31.3
95.08605	35.1
97.06519	10.3
97.10167	50.5
97.22144	3.5
98.21502	5.0
103.05473	3.3
103.39504	3.2
104.45792	3.4
105.07027	43.7
107.04306	4.2
107.04955	41.8
107.08592	38.6
109.06501	17.2
109.10162	21.8
109.12045	3.2
111.08073	8.0
113.06010	4.4
115.05466	6.0
117.07022	23.3
119.04925	4.5
119.08569	23.7
121.06501	41.2
121.10121	13.7
121.82319	3.4
123.04414	6.4
123.08038	8.6
125.09621	38.5
129.07005	20.2
131.04900	6.8
131.08549	27.9
133.06468	16.3
133.10095	12.4
135.08061	17.8
135.11671	8.0
141.06975	6.1
143.08549	14.3
145.06493	26.7
145.10091	16.5
147.04333	5.8
147.08057	11.3
147.11681	16.3
149.09598	12.7
153.09061	9.4
155.08493	4.6
157.10129	14.0
159.08049	9.4
159.11731	5.4
161.09596	6.0
163.11166	7.5
169.10107	10.8
171.07973	4.8
171.11674	4.6
173.09668	6.3
173.11571	6.2
175.11095	8.7
185.09572	5.5
185.13365	5.5
187.11084	5.2
189.11182	22.3
189.12740	6.8
193.12262	28.2
195.11618	5.9
197.09642	4.0
197.13318	4.5
199.11223	5.6
201.12717	4.7
205.12155	6.3
209.13071	4.4
211.13275	7.7
215.14447	5.6
223.13132	5.5
227.12611	25.2
231.13791	6.4
233.15331	31.0
245.15431	4.6
249.14864	7.7
267.15952	18.5
273.14792	11.8
275.16122	4.3
299.05481	8.7
303.06400	6.5
315.08655	38.5
339.22955	6.3
341.21057	7.3
349.21530	25.0
357.24319	20.3
367.22626	40.3
375.25391	4.4
385.23740	83.8
389.21225	4.0
403.24747	34.7
431.28015	3.7
433.25702	11.9
441.26450	12.5
449.28909	4.3
459.27429	100.0
477.28571	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48610	3.9
53.55441	3.7
55.01862	13.1
55.05510	76.0
57.03427	15.9
65.03941	4.6
67.05502	69.4
69.03427	10.6
69.06233	4.0
69.07076	24.8
69.31225	39.4
71.04987	6.1
74.21950	4.4
79.05083	4.6
79.05495	70.0
81.03414	56.4
81.07053	59.6
83.04971	13.2
83.08620	35.1
84.58751	3.8
85.02891	10.4
91.05476	67.8
91.94788	3.7
92.04705	3.8
93.07037	45.8
95.04974	34.0
95.08601	28.2
97.06515	11.3
97.10178	40.8
97.70975	3.8
105.07027	40.8
107.04936	30.8
107.08564	33.0
109.06513	12.4
109.10136	13.6
111.08057	12.8
115.05453	5.5
117.06987	19.5
119.08586	30.9
121.06512	38.6
121.10125	11.7
123.04458	4.9
123.08034	10.9
123.11674	7.4
125.06032	5.1
125.09617	37.1
128.06197	4.0
129.07037	21.8
131.04909	5.9
131.08563	25.3
133.06473	14.6
133.10115	16.6
135.08081	9.4
135.11740	6.3
137.09615	4.9
143.08534	13.8
145.06467	17.8
145.10114	15.6
147.08023	14.8
147.11716	21.1
149.09619	9.8
153.09109	15.3
155.08525	6.7
157.10094	15.8
159.08066	6.8
159.11700	5.0
161.09589	6.8
171.08015	6.7
171.10265	4.0
171.11723	8.6
173.09592	5.6
175.07550	5.5
175.11215	15.0
185.09526	4.4
185.13243	3.7
189.11201	29.2
189.12740	6.6
193.12234	50.4
197.69205	3.7
199.11157	11.0
205.15858	4.3
206.93253	3.9
211.13208	20.3
215.14439	6.9
217.12152	5.1
223.58588	3.8
227.12808	11.7
228.53320	3.7
233.15356	15.7
235.13284	6.1
237.12679	9.8
245.15334	7.8
255.13853	5.1
262.91043	4.5
267.15851	20.6
273.14835	21.9
287.16296	4.8
289.18243	4.4
291.15988	5.4
299.16187	4.3
303.06390	6.0
339.23059	11.9
349.21558	13.6
357.23984	10.4
367.22705	55.3
385.23773	100.0
403.24817	33.5
435.08328	4.7
441.26111	7.1
441.69196	4.1
459.27423	80.9
477.28574	67.9
480.43756	4.8
480.51962	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.3
55.01872	20.2
55.05511	78.0
57.03436	20.1
65.03934	4.8
66.29462	3.7
67.05505	83.7
69.03421	10.6
69.07055	22.9
69.17109	9.7
69.17527	39.0
69.44074	3.5
71.04967	10.8
79.05490	97.9
81.03415	100.0
81.07056	83.9
83.04980	31.8
83.08619	49.4
84.14994	3.5
85.02889	12.5
91.05481	94.2
93.07047	57.8
95.04971	50.4
95.08609	35.5
97.02880	4.6
97.06538	9.1
97.10169	53.2
98.21566	5.2
99.08103	6.2
103.27118	3.7
105.06387	6.2
105.07024	58.6
107.04965	49.6
107.08585	42.0
109.06494	16.7
109.10172	18.1
111.04412	4.9
111.08073	17.0
115.05433	7.6
117.07015	25.9
119.04903	5.7
119.08573	35.9
121.06494	31.9
121.10125	14.6
123.08039	11.1
123.11676	11.6
125.09628	32.8
128.06163	6.8
129.07022	32.9
131.04970	5.7
131.08540	37.4
133.06462	14.5
133.10110	36.5
135.08028	10.7
135.11632	7.9
137.09563	4.0
141.06882	4.0
143.08553	14.1
145.06514	18.8
145.10097	17.9
147.08020	16.3
147.11650	25.8
149.09590	16.0
149.13266	5.2
153.09082	12.1
153.12737	4.1
154.37126	3.4
155.08543	7.6
157.06499	8.0
157.10092	30.8
159.11681	8.2
161.05943	6.3
163.11137	11.0
165.12709	7.0
167.08534	5.6
169.10104	8.7
171.11664	6.6
173.09618	4.3
175.11189	24.0
187.11118	6.1
187.14789	4.4
189.11189	24.5
189.12685	5.6
193.12239	65.9
197.13393	4.6
199.11203	9.8
211.11478	5.8
211.13210	28.0
215.14194	5.4
217.12242	5.7
227.12663	26.4
231.13716	6.1
233.15321	20.2
241.14430	5.0
255.14066	3.7
259.12851	4.3
267.15887	33.3
273.14838	15.1
291.15915	4.7
339.23251	10.8
349.21564	18.9
357.24133	11.9
367.22681	46.6
373.29507	4.2
385.23758	89.2
393.84500	4.2
403.24777	23.1
433.25885	5.3
441.26221	9.1
459.27469	93.8
477.28473	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05495	2.1
57.03433	2.9
59.05020	1.4
65.03938	1.7
67.05497	4.9
69.03421	6.6
69.41488	9.5
70.06593	1.3
71.04997	1.9
79.05499	19.0
81.03417	8.0
81.07052	11.9
83.04986	3.4
85.02908	7.4
87.04443	1.1
89.06016	1.3
91.05484	6.9
92.62376	1.1
93.03424	3.1
93.07043	44.0
95.04971	4.5
95.08606	3.6
97.02879	4.3
97.06530	2.4
99.04454	1.5
103.05451	1.4
105.07034	5.6
107.04946	2.6
107.08582	2.5
109.02883	4.0
111.04438	4.0
113.06022	2.4
119.08643	2.4
121.02846	1.3
121.06492	2.5
121.10138	27.1
121.10940	1.9
123.04451	1.5
123.08062	2.6
123.11706	1.7
125.05954	2.8
127.03905	3.3
131.05034	1.2
131.07092	2.0
131.08559	4.1
137.05997	1.8
139.11275	1.7
142.08574	1.6
147.04375	5.2
149.09616	100.0
150.09970	1.6
151.03931	1.2
152.07045	2.4
153.01842	5.7
161.05994	1.1
163.03923	2.7
167.10674	15.8
170.08170	1.1
175.03998	1.9
177.05402	3.2
183.10191	1.4
231.02682	1.1
251.92990	1.1
287.49240	1.2
293.14026	5.9
311.14908	14.5
327.91687	1.2
343.04599	1.5
395.67673	1.3
420.69342	1.1
433.05930	1.3
441.21344	1.4
477.04068	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	477.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.50714	2.2
55.01880	2.6
55.47850	1.9
57.03421	4.3
62.85363	2.1
67.05481	2.7
69.03437	4.2
70.64008	4.0
71.04992	21.0
73.02905	4.3
79.05472	6.2
81.03391	2.3
81.07038	7.2
83.04955	3.5
85.02905	34.9
87.04475	2.1
88.45293	2.0
91.05476	15.3
93.07024	7.8
95.04948	6.2
95.08562	4.5
97.02885	4.4
97.06527	3.2
103.05422	3.6
105.07017	8.5
107.04979	4.7
107.08585	4.9
109.02892	3.6
109.06530	3.1
109.10155	2.7
115.05442	3.3
117.06979	3.4
119.04938	7.0
119.08569	4.0
121.06493	4.4
121.10120	4.9
122.03645	7.2
123.08027	3.2
129.05444	6.6
129.06964	5.5
131.04915	6.4
131.08537	3.2
135.04341	3.9
135.08099	3.2
137.02319	4.3
137.05971	100.0
137.09644	2.7
143.04921	4.5
143.08542	3.5
145.06421	4.9
147.04413	7.7
148.04831	2.3
149.06024	3.8
149.09570	4.8
151.03882	4.5
151.07526	39.1
153.01808	8.8
157.06453	4.2
159.11671	2.3
161.05968	8.1
163.03931	4.2
163.07512	8.0
165.06973	2.7
165.09091	2.7
167.08609	3.0
171.08087	3.1
172.05215	2.5
174.06787	3.6
175.03882	9.7
175.07532	22.4
177.05437	8.6
177.09088	7.3
179.07019	2.0
183.08051	4.7
187.07516	3.5
189.05362	2.5
189.09055	9.8
191.06969	2.7
195.08150	4.6
195.10161	7.4
201.09183	2.0
203.06989	4.9
203.10606	3.9
207.06560	6.3
211.07553	2.3
217.08540	3.9
219.10049	3.2
221.05981	2.5
225.09050	2.9
227.10712	6.8
235.07541	2.2
249.08981	3.1
253.08591	4.0
253.12244	2.9
255.10068	5.3
277.08453	4.0
281.11578	2.3
283.09534	2.3
287.12860	10.3
291.10156	3.2
303.04953	4.3
305.11508	3.0
309.11221	4.3
311.12790	6.0
313.14264	8.0
321.10904	3.5
323.12918	2.7
331.15292	3.5
337.14465	2.8
355.15402	4.8
357.06024	10.5
367.15393	11.5
385.16583	2.8
477.08237	6.7
477.15216	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	477.1389
Annotation	5,7-Dihydroxy-4',6-dimethoxyisoflavone 7-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03949	0.4
55.01878	0.6
55.05512	2.0
57.03431	0.6
65.03941	0.2
67.05502	2.7
68.55416	0.2
69.03429	1.3
69.07076	1.0
71.04997	0.4
71.32238	0.3
73.02891	0.2
77.94928	0.2
79.05489	2.5
79.05912	0.2
79.26184	0.2
81.03420	1.8
81.07052	3.1
82.06588	0.2
83.04996	0.6
83.08620	0.8
83.29968	0.2
85.02901	0.6
85.06573	0.6
91.05482	1.9
93.07041	2.5
94.06555	0.4
95.04964	1.5
95.08605	2.5
97.02900	0.4
97.06562	0.4
97.10166	1.5
99.04515	0.2
105.03386	0.2
105.07030	2.0
107.04944	1.6
107.08590	2.2
109.02882	0.5
109.06527	0.8
109.10166	1.3
111.04443	0.3
111.08102	0.7
113.06112	0.2
115.05456	0.3
117.07047	0.8
119.04936	0.6
119.07417	0.2
119.07739	0.2
119.08560	1.4
121.02898	0.3
121.06502	1.2
121.10136	1.2
123.04430	0.3
123.08054	1.1
123.11678	0.3
125.07927	0.2
125.09609	1.3
127.03949	0.3
129.07007	0.5
131.04933	0.2
131.08588	1.2
133.06471	0.4
133.10144	0.8
135.08057	0.8
135.11687	0.5
137.02400	0.3
137.05978	0.6
137.09619	0.4
139.03897	0.3
139.07535	0.2
139.11197	0.3
143.08582	0.5
145.05005	0.2
145.06490	0.5
145.10143	0.8
147.04378	0.9
147.08054	0.8
147.11690	1.0
149.09573	0.9
149.13348	0.2
151.07555	1.8
151.11131	0.2
153.01822	1.8
154.08638	0.6
155.08609	0.2
157.10153	0.6
159.08064	0.4
159.11797	0.5
161.09637	0.4
163.03935	0.5
163.07565	0.4
163.11217	0.4
165.09091	1.1
167.07059	0.3
169.10127	0.3
171.08066	0.4
171.11674	0.5
173.09634	0.3
173.13223	0.3
175.03909	0.6
175.07544	0.2
175.11113	0.4
177.05414	0.2
177.09093	0.4
178.02646	0.3
179.10722	0.2
181.05005	0.2
181.10104	0.2
185.13214	0.2
187.07390	0.2
189.05486	0.5
189.11142	0.5
189.12729	0.4
191.10609	0.5
193.12297	0.7
197.11714	0.2
199.11215	0.4
199.14781	0.3
203.03372	0.3
203.10725	0.2
205.12274	0.4
209.13348	0.3
215.14410	0.4
217.04881	0.4
227.12654	0.4
229.05119	0.2
231.13788	0.3
233.15329	0.6
242.05728	1.2
245.04449	0.3
246.05219	0.3
254.05734	1.0
255.06607	0.2
265.05164	0.3
267.15942	0.4
269.04330	0.2
270.05151	0.4
271.06006	9.3
273.03876	0.4
273.14789	0.2
274.04694	0.3
282.05173	0.2
283.05972	0.3
285.04022	2.1
285.18735	0.2
286.04724	3.4
287.05209	0.2
293.04260	0.3
297.03955	0.4
297.07281	0.2
297.18585	0.3
299.05490	33.7
300.06241	5.9
301.03421	1.4
301.07001	1.5
302.04175	1.7
303.05002	0.3
315.08597	100.0
316.08990	1.8
325.07004	0.7
339.23203	0.3
341.21225	0.3
349.22000	0.4
357.24292	0.4
367.22757	1.2
385.23657	2.0
403.25107	0.9
433.26001	0.2
459.27350	2.6
477.08112	1.0
477.13901	0.5
477.28897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1391
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.14943	0.3
55.05494	0.2
67.05492	0.2
69.28613	1.2
69.29034	1.1
77.23627	0.2
79.19736	0.2
81.07047	0.3
85.02847	0.4
94.96891	0.2
98.20800	0.5
105.03373	0.8
118.61006	0.2
131.04871	0.3
139.00267	0.6
183.04437	0.2
187.03868	0.7
201.05444	0.4
212.04558	0.3
215.03343	0.3
222.58072	0.2
225.82375	0.2
246.42000	0.2
257.04443	13.5
258.04672	0.4
285.03922	43.5
286.04266	1.0
299.05719	0.3
300.06274	24.4
301.06708	0.7
315.08603	100.0
316.08939	2.6
370.02695	0.2
371.25394	0.2
477.28406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3783
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
53.03945	1.9
55.01861	0.7
55.05507	6.1
57.03439	0.7
57.07070	1.7
58.02956	0.7
62.07439	0.7
67.05506	11.9
69.06803	0.6
69.07075	6.8
70.18174	0.8
70.18508	3.1
71.04993	5.5
76.46661	0.6
79.05488	13.5
81.03430	1.3
81.07053	23.2
83.04974	1.3
83.08613	4.1
83.33099	0.7
85.06552	1.1
89.06030	0.9
91.05470	10.9
93.07043	22.4
95.04964	2.5
95.08605	22.5
97.06538	3.0
97.10159	1.4
99.08086	3.2
105.07027	18.9
107.04960	0.8
107.08588	23.3
108.08893	0.8
109.06506	2.1
109.10154	16.7
111.08087	2.1
117.07024	3.6
119.08576	25.8
121.06487	1.1
121.10144	22.9
123.08057	2.4
123.11686	4.3
125.09610	1.2
127.07543	1.2
127.11182	4.4
128.06235	0.8
129.07007	1.9
130.07790	1.2
131.08539	7.1
133.10129	22.2
133.11116	1.4
134.10454	0.9
135.08070	2.0
135.11685	26.7
137.09613	2.9
137.13246	2.6
143.08556	4.5
144.09302	1.5
145.10121	20.0
147.08057	1.6
147.11681	21.6
148.12059	0.8
149.09628	3.0
149.13254	7.7
151.11205	4.2
157.10150	7.2
159.11700	14.6
161.09598	2.1
161.13269	9.8
163.11176	1.9
163.14822	5.4
165.24413	0.8
169.10120	1.3
171.11694	6.4
173.13248	8.1
175.11116	0.9
175.14821	5.1
177.12724	0.9
177.16354	1.3
179.14340	1.2
183.11725	1.6
184.12436	0.9
184.70778	0.7
185.13255	3.5
187.14804	12.0
189.12755	1.2
189.16376	41.7
191.18010	3.5
197.13351	1.9
199.14836	7.5
201.16374	6.6
203.17993	4.9
205.15840	0.9
205.19492	1.6
207.13834	1.4
207.17429	26.1
209.13354	0.9
211.14841	2.1
213.16359	6.4
215.14549	1.0
215.18010	4.8
217.15869	7.5
219.17421	4.6
221.19031	0.8
225.16408	1.7
227.17992	2.7
231.17439	3.1
233.19043	1.4
235.16986	2.0
239.17918	2.0
241.19475	1.4
245.19014	0.9
253.19440	1.1
255.21033	2.5
259.20670	2.1
265.19534	0.9
267.21078	1.6
271.20587	1.7
281.22617	1.2
285.22214	2.3
299.23788	1.1
325.25311	1.8
335.27405	1.9
351.30527	3.1
353.28397	1.5
359.29514	3.6
369.31528	4.4
371.29593	0.9
403.33649	2.1
421.34622	18.1
429.36487	1.3
439.35776	16.9
440.35983	1.2
446.10159	0.8
457.36749	100.0
458.37033	7.0
475.31287	4.2
475.37775	11.7
476.31522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.74128	0.5
55.01855	2.0
55.05509	6.0
57.03413	1.2
57.07082	0.7
59.04983	0.7
65.03935	0.7
67.05502	11.8
69.03423	2.5
69.07070	3.0
69.39881	3.7
71.04974	1.7
77.03934	0.7
77.96687	0.4
79.05484	9.9
81.03416	8.2
81.06602	0.7
81.07054	13.0
83.04980	2.5
83.08608	3.2
85.02876	0.5
85.06522	1.1
91.05476	7.8
93.07040	9.5
95.04962	5.1
95.08601	11.6
97.02887	1.3
97.06516	1.2
97.10156	2.7
99.08089	0.7
101.05987	0.7
103.05442	0.8
105.07030	5.6
107.04955	3.6
107.08588	7.6
109.02853	1.7
109.06530	2.1
109.10154	10.3
111.04416	1.2
111.08055	1.8
111.11693	0.5
115.05463	0.7
117.07027	2.7
119.04925	1.1
119.08570	6.8
121.02820	0.5
121.06493	3.7
121.10149	4.0
122.07269	1.8
123.04401	0.6
123.08083	2.7
123.11692	2.4
125.05943	0.5
125.09592	1.6
127.03979	0.5
128.06172	0.5
129.07037	2.0
129.07855	0.4
131.04904	1.4
131.08565	3.1
133.06467	1.5
133.10129	3.1
135.04387	0.6
135.08060	2.4
135.11696	5.3
137.02307	1.7
137.05937	1.7
137.09616	12.6
137.13245	0.7
139.03883	0.9
139.07570	0.7
141.07028	0.8
142.07799	1.0
143.08572	2.0
145.06447	1.5
145.10144	4.1
147.04407	1.1
147.08051	1.9
147.11679	1.6
149.09599	4.3
149.13268	1.6
151.07529	4.1
151.11128	1.0
151.14790	0.9
153.09044	1.0
153.12711	1.1
155.08507	0.8
157.06499	0.9
157.10114	1.7
159.07996	1.4
159.11642	1.8
160.05154	0.8
161.05994	2.5
161.09592	1.9
161.13240	1.1
163.11183	5.8
163.14828	1.0
165.09105	100.0
166.09480	2.2
167.07092	0.6
167.08504	0.5
169.06378	0.6
169.10124	1.2
171.07983	1.0
171.11674	0.6
173.06000	0.7
173.09619	1.6
173.13148	0.7
175.03777	0.5
175.07538	1.2
175.11163	2.4
175.14799	0.6
177.09102	1.5
177.12709	1.0
179.10689	0.8
181.12148	1.3
183.11702	0.6
185.09659	0.9
185.13315	1.0
187.07504	0.5
187.11160	0.6
187.14795	0.7
189.09062	1.3
189.11151	0.8
189.12726	0.6
191.10619	2.3
193.10663	0.4
193.12218	2.6
197.09593	0.5
199.14832	0.5
201.12740	0.5
203.10765	1.0
203.14359	0.7
205.12228	6.4
209.11641	0.9
211.04066	0.6
211.14949	0.6
213.12784	1.5
215.14380	0.6
219.13789	0.5
225.12634	0.5
227.12752	6.8
231.13875	1.3
247.13266	0.8
264.04315	0.5
271.13257	0.5
273.14890	0.8
289.14362	1.9
293.04269	0.5
307.02686	0.6
313.17902	0.5
321.03650	2.1
323.25851	0.8
325.03345	2.1
338.12219	0.6
355.22629	0.7
365.21057	1.5
373.24213	0.5
383.22116	7.9
401.23090	2.6
416.55130	0.5
429.33896	1.2
431.24570	0.8
439.24719	1.1
439.32144	1.1
457.25870	5.3
457.32910	1.2
475.06943	2.4
475.27048	13.7
475.33975	1.6
476.07556	0.6
476.26898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.5
53.03942	10.4
55.01843	5.8
55.05275	2.5
55.05510	30.2
57.03436	21.2
57.06800	2.9
57.07072	49.6
58.87319	1.6
59.04971	1.7
61.02612	2.5
61.02918	48.6
65.03930	5.2
67.05501	93.0
68.41067	1.6
69.03426	22.5
69.07069	34.7
71.01351	2.0
71.04983	7.3
71.08240	2.5
71.08625	30.4
71.52494	2.1
73.02522	2.2
73.02906	23.5
75.04461	2.8
79.05019	3.0
79.05487	77.3
81.03412	22.9
81.07050	100.0
83.04973	16.0
83.08609	27.5
85.02904	44.8
85.06527	5.4
85.10183	14.9
87.04449	3.9
89.06003	1.9
91.03956	29.8
91.05474	55.7
93.07039	75.3
95.04961	19.6
95.08601	61.1
97.02883	48.4
97.06521	8.6
97.10165	10.4
99.04459	10.7
99.08064	2.9
101.02357	8.3
103.03903	4.4
103.05502	1.8
105.04478	2.0
105.07024	41.0
107.04952	4.9
107.08589	37.8
109.02853	9.1
109.06497	7.0
109.09470	2.8
109.10148	29.6
111.04390	3.4
111.08102	3.9
111.11722	3.9
115.03923	3.9
117.05452	1.8
117.07017	9.6
119.08571	26.7
121.06483	3.9
121.10138	19.7
123.08052	5.1
123.11700	12.9
124.17052	1.7
127.03902	19.4
128.06201	3.8
129.05475	4.9
129.06999	13.3
130.07751	2.2
131.08585	12.3
133.06438	1.9
133.10114	16.3
135.11627	10.5
137.13220	5.0
139.13858	1.7
139.14876	1.8
143.08527	8.5
145.04935	6.5
145.10141	12.1
147.08064	1.8
147.11685	29.7
149.09647	2.5
149.13213	21.1
156.09328	1.8
159.11674	9.5
161.09576	3.6
161.13261	12.8
163.11150	2.2
163.14740	2.5
171.11679	23.7
175.14784	2.1
177.12787	3.7
177.16255	2.2
181.04915	2.1
183.06451	4.1
187.14787	4.0
189.12746	9.1
189.16425	8.9
195.13774	6.5
199.14784	2.4
201.07622	2.6
203.17999	2.3
207.13788	22.4
207.15565	2.9
207.17352	3.8
213.16357	2.9
225.14873	2.2
239.23657	22.9
257.24689	4.7
269.17621	2.2
271.42712	2.0
281.17517	2.1
313.27338	80.7
314.27570	2.4
323.94113	1.8
341.26556	3.2
355.28043	2.1
359.67239	1.8
421.34601	5.2
439.35446	4.5
457.31079	4.5
457.36673	17.5
475.30548	47.7
476.31082	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72355	1.3
51.02375	2.1
53.03944	12.0
53.69706	1.4
55.01851	5.0
55.05507	26.0
57.03419	6.2
57.07071	4.6
59.04997	1.4
65.03934	6.7
65.91071	1.3
67.05502	94.1
69.03445	2.2
69.06687	1.7
69.07066	30.0
70.87888	4.0
71.04984	4.1
73.06540	2.2
75.95490	1.5
76.61958	1.2
77.22987	1.4
79.05489	96.2
80.44852	1.2
81.03419	12.0
81.07051	99.6
83.04983	15.1
83.08617	16.0
85.06554	7.6
91.05477	70.8
93.07038	100.0
94.98061	1.6
95.04961	26.7
95.08604	40.2
97.06527	12.6
97.10162	4.8
99.08102	3.4
105.04498	3.1
105.06313	2.7
105.07025	47.6
105.07702	3.0
107.04945	6.2
107.08587	37.3
109.06520	5.9
109.10151	13.1
111.08076	6.0
115.05434	2.4
117.07014	16.0
119.08575	31.4
121.06490	4.6
121.10123	20.0
123.08045	7.3
123.11733	4.4
125.05929	1.8
125.09641	3.5
127.07574	2.1
128.06238	3.3
129.06990	18.2
130.07790	2.1
131.08554	11.4
133.10114	18.5
134.82552	1.5
135.08093	2.9
135.11688	9.6
137.09625	1.7
143.08589	8.0
145.06506	1.5
145.10120	12.1
147.08049	3.0
147.11693	35.4
149.09575	1.5
149.13258	27.0
151.11191	1.6
157.10139	3.3
159.11681	13.7
161.09659	4.5
161.13229	14.1
163.11150	2.6
163.81805	1.5
171.11676	26.8
173.13239	2.0
177.12752	4.9
187.14883	1.9
189.12726	13.3
189.16417	2.7
195.13820	6.4
201.16472	1.5
207.13783	30.2
225.14880	3.9
231.17410	1.8
231.69470	1.4
281.17792	1.9
285.07523	1.7
335.52911	1.4
383.22104	2.3
385.74838	1.5
457.36462	5.7
463.36163	1.4
475.30573	78.4
476.31003	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03938	11.0
54.23233	1.5
55.01879	6.1
55.05508	33.8
57.03427	8.5
57.07075	4.9
59.05003	1.7
65.03943	6.0
67.05501	94.3
69.03403	1.9
69.07070	23.5
69.36074	9.9
71.05012	5.6
71.95890	1.5
72.07181	1.3
72.90817	1.2
73.06563	2.6
77.03929	1.7
77.15355	1.6
79.05489	92.8
80.05874	1.6
81.03416	15.4
81.07053	100.0
82.07420	1.9
83.04976	15.7
83.08624	18.6
85.06566	4.9
87.40892	1.4
91.04966	1.3
91.05474	73.4
93.07037	94.4
94.20546	1.4
95.04963	24.6
95.08603	47.1
97.06535	13.3
97.10177	6.8
98.21593	2.4
99.08103	3.5
103.05506	2.9
105.04537	3.0
105.07023	47.3
107.04968	9.1
107.08590	43.0
107.09296	1.7
109.06532	10.1
109.10136	12.1
111.08074	8.1
115.05492	2.0
117.07017	14.8
119.08579	27.9
119.09367	2.1
121.06506	8.0
121.10133	22.0
122.10433	1.4
123.07335	1.5
123.08056	8.2
123.11761	4.5
125.09673	4.0
127.07575	2.5
128.06256	2.7
129.06979	15.3
129.07779	1.2
131.05052	1.3
131.08549	16.8
133.06535	2.4
133.10115	21.2
133.11064	1.4
134.10555	1.4
135.08118	2.1
135.11696	12.9
137.06009	2.1
139.07581	1.4
141.07045	1.4
141.09224	2.2
143.08560	9.5
145.06549	1.9
145.10110	13.9
147.08124	4.3
147.11685	30.2
147.12778	1.9
149.09688	2.7
149.13252	21.4
149.14348	1.4
151.11223	2.0
153.09109	2.0
153.12848	2.2
155.08609	2.0
156.09364	1.6
157.10185	4.6
159.11670	14.9
161.06062	3.5
161.09706	4.5
161.13275	11.9
163.11276	4.1
163.14923	1.9
169.10182	2.1
171.11684	26.3
173.05989	1.7
173.09801	2.0
173.13321	2.4
175.14842	2.7
177.12733	6.6
179.14429	1.6
183.61128	1.5
185.09705	1.9
185.13457	2.4
187.14891	3.0
189.12686	9.4
189.16498	3.5
193.12312	3.5
195.12012	1.3
195.13950	5.3
199.14893	1.8
203.18030	1.9
207.13797	28.9
215.17943	1.8
225.14828	2.9
227.12828	2.7
227.18208	1.4
251.16319	1.8
289.14481	2.3
383.21774	9.5
401.23444	3.3
457.26016	5.3
457.36957	5.4
475.30832	52.2
476.31265	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	475.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03952	8.2
55.01865	5.0
55.05275	2.4
55.05514	30.3
57.03427	6.2
57.07068	1.9
60.14150	1.3
65.03934	5.3
66.11453	1.4
67.05505	86.9
68.05847	1.8
69.03442	2.1
69.07072	23.6
71.04998	7.5
73.06578	1.9
77.03905	1.9
79.05492	92.9
80.05801	1.5
81.03419	12.8
81.07056	98.9
83.04974	15.2
83.08610	15.7
85.06531	4.7
91.05482	61.5
93.07043	100.0
94.07370	3.3
95.04968	23.8
95.08609	55.2
97.06539	13.4
97.10191	3.9
99.08087	4.3
103.05436	2.6
105.04520	3.1
105.07033	55.6
107.04959	7.8
107.08589	57.6
108.08952	2.6
109.06552	9.3
109.10156	18.5
111.04464	1.4
111.08087	5.9
115.05443	1.9
117.07011	15.0
119.08583	38.5
120.03967	1.3
120.55900	1.6
120.59386	1.3
121.06541	6.8
121.10143	32.1
123.08066	6.5
123.11707	6.4
125.09653	2.4
127.07543	3.0
127.11210	1.8
128.06178	4.1
129.07004	12.4
130.07770	1.8
130.19327	1.4
131.08559	19.4
133.06487	2.1
133.10135	31.0
135.08035	3.9
135.11682	18.8
137.09601	3.4
137.13242	1.8
143.08595	9.8
145.10120	21.8
147.08046	3.3
147.11690	43.6
149.09666	2.8
149.13261	28.9
151.11122	2.3
155.08609	2.2
157.10144	6.3
159.11691	21.7
161.09616	4.5
161.13261	16.0
163.11151	2.4
163.14825	3.7
169.10107	1.8
171.11696	24.4
173.13281	4.6
175.14867	4.7
177.12769	5.4
177.16327	2.6
179.14357	2.9
185.13266	3.5
187.14809	8.9
189.12770	13.7
189.16379	22.8
190.16759	2.0
191.17961	3.1
195.13852	6.2
197.13281	2.0
199.14767	4.2
201.16451	3.8
203.17909	4.1
204.18271	3.1
207.13791	30.0
207.17441	11.3
211.14856	2.8
213.16463	4.6
215.17851	3.0
217.15990	2.1
219.17421	2.6
225.14827	4.0
228.41188	1.5
229.19357	1.6
229.44640	2.0
231.17599	1.8
235.17096	1.6
249.85004	1.6
337.68271	1.5
359.29486	2.3
369.31729	1.7
383.25986	2.4
403.33701	2.1
411.35617	3.9
421.34787	9.2
425.02338	1.6
439.35812	11.4
457.30692	1.8
457.36768	50.6
457.43240	3.1
475.30609	61.6
475.37567	5.3
476.30948	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
55.01867	5.3
55.05507	29.7
57.03428	8.0
57.07064	2.4
65.03937	5.9
67.05503	92.4
69.03423	2.1
69.07065	25.7
71.04981	5.2
73.06557	2.1
77.03892	2.3
79.05492	96.8
81.03426	12.9
81.07054	100.0
81.18031	1.5
83.04977	18.2
83.08607	18.1
85.06524	3.2
91.05476	74.6
91.72483	1.5
93.07040	97.9
94.07346	1.7
95.04967	26.8
95.08599	35.6
97.06518	12.3
97.10151	4.0
99.08072	3.2
102.70035	1.7
103.05542	1.6
105.04504	2.9
105.07030	49.3
106.53484	1.7
107.04935	8.2
107.08592	35.6
109.06519	5.6
109.10139	5.5
111.08075	7.3
113.85128	1.7
115.05473	1.8
117.07027	12.8
119.08574	22.7
121.06490	4.3
121.10142	24.2
123.08094	6.0
123.11728	2.4
127.07568	2.5
128.06210	2.1
129.07002	17.0
131.08585	10.5
133.06528	1.6
133.10120	15.5
135.08069	2.9
135.11674	8.3
137.09616	2.4
139.37953	1.5
143.08531	7.7
145.10112	9.5
147.08041	1.7
147.11685	31.8
149.13260	26.0
159.11691	13.6
161.09612	5.2
161.13257	11.6
171.11665	25.8
177.12776	5.2
179.14262	2.4
189.12738	13.0
195.13826	6.3
207.13794	29.4
225.14948	3.9
227.12875	1.7
269.17853	1.9
396.56274	1.6
475.30588	65.9
476.30945	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	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14240	1.2
53.03942	8.4
55.01868	6.5
55.05510	33.1
57.03431	6.8
57.07066	1.4
59.93158	1.5
65.03938	3.9
67.05501	94.2
68.05830	2.1
69.03426	1.8
69.07065	28.8
70.41942	2.0
70.42301	4.9
71.04976	5.9
73.06533	2.0
77.03951	1.6
79.05489	97.6
80.05778	1.4
81.03403	16.0
81.07051	100.0
83.04974	18.4
83.08620	18.3
85.06548	5.8
91.04903	3.1
91.05476	68.0
93.07040	84.9
95.04961	23.6
95.08603	37.4
97.06533	11.4
97.10180	6.1
99.08087	3.1
103.05449	2.5
105.04514	2.6
105.07024	45.2
105.07693	2.8
107.04932	7.5
107.08585	41.7
109.06517	9.6
109.10160	7.5
111.08098	7.9
115.05455	2.0
117.07021	16.1
119.08574	26.3
121.06525	4.8
121.10143	20.0
123.08084	5.8
123.11721	2.9
125.09644	1.7
125.54794	1.4
127.07627	1.8
128.06215	2.0
129.07001	13.5
131.08539	10.6
133.06451	1.7
133.10129	17.3
135.08081	4.3
135.11681	9.7
137.09631	1.7
143.08533	8.4
145.10095	11.8
147.08073	5.5
147.11688	30.4
149.09653	2.4
149.13246	25.4
151.11319	1.5
157.10146	2.9
159.11685	14.3
161.09625	6.6
161.13245	13.8
163.11214	3.4
171.11678	28.8
171.46161	1.4
173.13246	2.0
175.14890	1.8
177.12785	5.1
181.25885	1.4
183.11778	1.9
189.12686	10.4
191.10678	1.7
195.13817	6.7
195.39912	1.4
207.13789	30.9
225.14877	3.6
250.90080	1.3
281.17651	2.1
383.22348	4.4
401.23334	1.9
457.25656	2.0
475.30667	61.2
476.31329	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
53.03942	12.0
55.01858	5.7
55.05511	29.8
57.03444	10.8
57.07066	4.0
60.08539	2.1
65.03924	4.5
67.05501	96.4
69.07066	25.0
69.16900	24.4
71.04970	7.1
77.86003	2.5
79.05493	97.3
81.03393	10.7
81.07053	87.8
83.05000	19.0
83.08597	17.0
85.06528	5.5
91.05479	75.4
92.82391	2.5
92.97789	2.0
93.07040	100.0
95.04478	2.5
95.04970	28.3
95.08609	52.8
97.06518	14.1
97.10146	5.6
97.83939	2.4
101.98074	2.3
105.07031	45.1
107.04964	11.4
107.08583	39.4
109.06477	7.0
109.10145	12.1
111.08046	8.1
117.07040	16.2
119.08590	26.0
121.06479	3.9
121.10113	18.0
123.08083	6.7
123.11709	3.9
128.06184	3.6
129.07033	17.1
131.08539	12.3
133.10129	22.6
135.11641	8.9
137.00015	3.0
137.09532	2.4
143.08514	9.0
145.10127	15.1
147.08015	3.1
147.11684	34.0
149.13260	23.0
155.38701	2.2
156.09331	2.5
157.10081	3.5
159.11665	15.0
161.09543	7.2
161.13248	12.4
165.09102	4.7
165.12737	2.5
171.11693	24.5
175.14790	2.3
177.12709	3.3
177.16386	2.8
179.03415	3.5
189.12706	8.6
195.13707	6.4
203.14325	2.8
207.13806	27.1
225.14865	6.1
281.17386	3.5
367.38858	2.6
429.36212	3.7
445.12662	2.4
475.30908	94.0
476.31815	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	475.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68104	1.7
53.03933	6.8
55.01860	5.3
55.05273	2.8
55.05511	28.3
55.20681	1.8
57.03424	6.8
57.07071	4.1
65.03922	6.3
67.05505	97.1
69.03414	3.0
69.07069	29.0
69.32150	4.6
69.32556	13.3
71.04977	4.6
71.71078	2.2
73.06567	2.5
79.05493	96.5
81.03420	12.0
81.07055	92.7
81.07534	5.2
81.49324	2.3
83.04984	15.7
83.08617	14.8
85.06520	5.1
91.04910	3.1
91.05481	63.2
93.07041	100.0
93.23438	2.0
95.04454	2.5
95.04970	26.5
95.08611	43.4
97.06513	12.5
97.10145	4.3
99.08091	3.8
105.03334	2.2
105.04499	2.9
105.07033	44.7
107.04957	5.7
107.08588	39.8
109.06499	5.4
109.10163	10.2
111.08061	9.2
115.05483	2.1
117.07008	17.4
119.08566	26.4
121.06471	4.5
121.10143	19.7
123.08040	8.3
123.11709	4.9
125.32465	2.3
128.06226	3.6
129.07014	16.9
131.08588	14.2
133.06514	2.8
133.10141	18.7
135.07965	2.7
135.11679	10.1
142.07774	2.5
143.08568	6.7
145.10129	13.5
147.08008	3.5
147.11685	40.9
149.13254	26.3
156.09286	2.4
159.11713	10.3
161.09586	5.9
161.13251	12.6
163.14832	3.1
171.11696	27.3
177.12706	5.3
189.12761	12.4
190.16742	2.5
195.13789	7.1
207.13788	27.1
225.14693	2.9
226.51167	2.2
265.54852	2.8
269.17432	2.1
323.00931	2.3
401.39459	1.9
429.36328	15.3
475.30508	81.9
476.30914	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03942	7.7
55.01878	4.3
55.05508	26.4
57.03432	7.1
57.07072	2.8
59.05001	0.9
65.03937	5.5
67.05503	93.4
69.03420	2.1
69.07065	25.6
71.01344	0.8
71.04984	5.8
73.02940	1.1
73.06577	1.6
77.03939	1.4
79.05491	99.1
80.05832	1.1
81.03419	10.0
81.07053	99.9
83.04980	15.7
83.08614	16.4
85.06541	5.4
87.04459	0.7
90.58033	0.6
91.05476	69.1
93.07040	100.0
94.07389	1.0
95.04966	22.0
95.05569	1.2
95.08604	36.9
97.02859	0.9
97.06522	13.1
97.10175	4.0
99.08100	3.0
103.05481	1.0
105.04502	2.8
105.07026	43.2
107.04948	6.4
107.08585	39.9
109.06518	8.4
109.10148	7.8
111.08070	6.6
113.09650	1.5
115.05440	1.3
117.07017	14.6
119.08581	24.3
121.06505	4.3
121.10143	18.3
123.08067	6.3
123.11703	2.1
125.09707	1.2
126.84505	0.7
127.07579	1.5
128.06235	2.5
129.06993	14.6
130.07838	0.7
131.08562	10.5
133.06483	1.5
133.10118	19.1
135.08032	2.1
135.11670	10.2
137.09612	1.1
139.07570	0.8
139.11122	1.6
141.09154	1.2
143.08548	8.4
145.10103	11.5
145.39961	0.7
147.08055	2.5
147.11679	34.4
149.09535	0.8
149.13255	26.1
151.11163	1.1
155.08543	1.2
156.09305	1.1
157.10124	1.5
159.11676	12.7
161.09610	4.1
161.13255	13.4
163.11162	1.2
167.14285	1.3
171.11676	25.5
173.13254	1.2
177.12752	5.6
179.14401	1.3
187.14835	1.9
189.12737	10.7
189.16353	3.4
195.13831	7.6
199.14893	1.1
207.13795	34.1
207.17421	1.4
211.14803	0.7
213.16476	1.8
215.17909	1.1
225.14868	3.7
229.20030	1.1
251.16386	1.4
267.06503	1.1
269.17575	0.9
278.89758	0.7
281.17352	1.7
295.86774	0.8
355.81049	0.7
383.26138	1.0
421.34702	1.7
439.35510	1.3
457.29581	2.3
457.36661	9.4
475.30545	73.3
476.30487	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.3
53.03959	8.8
55.01865	3.6
55.05510	25.3
57.03420	6.2
57.07055	2.0
57.48377	1.6
61.46057	1.3
65.03925	4.7
67.05502	85.3
68.05800	1.3
69.07068	22.9
70.03635	6.9
71.04980	4.8
79.05491	95.0
81.03411	10.6
81.07051	100.0
82.07356	1.9
83.04973	14.8
83.08611	16.3
85.06520	5.8
90.55167	1.3
91.05477	66.1
93.07040	93.5
94.07327	1.4
94.61131	1.4
95.04965	24.9
95.08605	39.5
97.02886	1.6
97.06522	12.5
97.10164	4.0
99.08086	5.0
105.04536	1.5
105.07027	42.3
107.04948	5.9
107.08582	36.3
109.05849	1.9
109.06500	9.1
109.10136	4.5
111.08065	6.1
115.05447	2.1
117.07013	15.2
119.08579	24.5
121.06471	2.8
121.10126	16.3
123.08055	5.3
123.11710	2.7
127.07533	2.7
128.06253	3.7
129.07004	13.1
131.08545	10.8
133.06476	2.4
133.10135	18.0
135.07986	2.3
135.11693	8.6
139.07556	2.0
139.11148	1.7
143.08560	8.0
145.10121	8.8
147.08101	1.5
147.11664	32.9
149.13255	25.5
149.52034	1.4
159.11685	12.0
161.09618	4.1
161.13248	10.0
163.11180	1.5
166.75999	1.4
171.11684	24.8
177.12718	5.3
179.14311	2.5
180.89796	1.4
189.12724	12.1
191.24173	1.3
195.13800	5.6
200.30420	1.6
207.13803	30.7
225.14835	4.6
261.47382	1.5
281.17505	2.3
297.09781	1.6
343.42899	1.5
375.10345	1.4
383.25906	1.5
430.84241	1.5
457.29993	2.6
457.36182	2.5
475.30548	78.1
476.30853	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07533	1.1
52.92340	1.1
53.03939	8.4
55.01852	4.1
55.05507	26.0
57.03432	7.1
57.07056	1.7
62.68390	1.3
65.03918	5.5
67.05500	82.3
69.03426	1.5
69.07060	20.3
69.23466	5.4
69.23891	7.4
71.04960	3.3
74.74796	1.0
77.03860	1.7
79.05489	100.0
81.03417	13.0
81.07050	95.8
82.07368	1.7
83.04974	13.4
83.08620	15.5
85.06525	3.7
91.05473	66.4
93.07037	89.1
95.04964	22.3
95.08598	36.9
97.06524	13.3
97.10151	3.9
99.08071	3.6
105.04507	1.9
105.07027	43.3
107.04955	7.7
107.07887	2.3
107.08588	39.8
109.06517	9.0
109.10145	4.6
111.08071	6.6
115.05444	2.9
117.07005	14.8
119.08580	20.7
121.06469	3.5
121.10141	16.0
123.08051	4.7
123.11684	3.1
125.05962	1.2
127.07597	2.6
128.06210	1.8
129.06992	13.6
131.08542	11.0
133.06491	1.1
133.10127	15.0
135.08037	2.7
135.11685	8.4
143.08525	8.0
145.10129	8.5
147.08028	3.3
147.11670	37.2
149.13243	27.2
157.10110	1.8
159.11671	11.4
161.09596	3.4
161.13240	12.6
171.10283	2.0
171.11690	24.7
177.12704	4.5
179.14296	1.5
189.12744	10.0
195.13779	8.4
201.00301	1.2
207.13799	33.3
225.14784	3.9
253.03920	1.2
281.17679	1.4
365.24805	1.7
457.29739	1.5
475.30502	75.7
476.30862	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
53.03942	12.0
55.01858	5.7
55.05511	29.8
57.03444	10.8
57.07066	4.0
60.08539	2.1
65.03924	4.5
67.05501	96.4
69.07066	25.0
69.16900	24.4
71.04970	7.1
77.86003	2.5
79.05493	97.3
81.03393	10.7
81.07053	87.8
83.05000	19.0
83.08597	17.0
85.06528	5.5
91.05479	75.4
92.82391	2.5
92.97789	2.0
93.07040	100.0
95.04478	2.5
95.04970	28.3
95.08609	52.8
97.06518	14.1
97.10146	5.6
97.83939	2.4
101.98074	2.3
105.07031	45.1
107.04964	11.4
107.08583	39.4
109.06477	7.0
109.10145	12.1
111.08046	8.1
117.07040	16.2
119.08590	26.0
121.06479	3.9
121.10113	18.0
123.08083	6.7
123.11709	3.9
128.06184	3.6
129.07033	17.1
131.08539	12.3
133.10129	22.6
135.11641	8.9
137.00015	3.0
137.09532	2.4
143.08514	9.0
145.10127	15.1
147.08015	3.1
147.11684	34.0
149.13260	23.0
155.38701	2.2
156.09331	2.5
157.10081	3.5
159.11665	15.0
161.09543	7.2
161.13248	12.4
165.09102	4.7
165.12737	2.5
171.11693	24.5
175.14790	2.3
177.12709	3.3
177.16386	2.8
179.03415	3.5
189.12706	8.6
195.13707	6.4
203.14325	2.8
207.13806	27.1
225.14865	6.1
281.17386	3.5
367.38858	2.6
429.36212	3.7
445.12662	2.4
475.30908	94.0
476.31815	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
55.01870	5.3
55.05320	2.0
55.05517	23.7
57.03426	5.4
63.99147	2.2
65.03938	4.0
67.05501	88.6
68.02328	2.2
69.07067	20.9
69.45516	12.1
69.45921	6.7
71.04984	4.5
79.05487	87.7
81.03410	11.0
81.07051	100.0
81.07533	4.8
83.04976	20.2
83.08611	16.0
85.06541	5.8
91.05473	59.9
91.06028	4.1
93.07037	97.6
95.04964	22.4
95.08604	40.9
97.06518	12.5
97.10160	3.1
98.21532	4.2
103.05463	2.4
105.04583	2.5
105.06324	3.9
105.07020	46.4
107.04955	6.6
107.08578	35.3
109.06512	5.8
109.10150	7.7
111.08082	7.2
115.05375	3.0
117.06987	14.2
119.08578	25.1
121.06461	4.3
121.10120	16.2
123.08089	7.4
123.11703	4.4
128.06169	4.1
129.06967	12.8
131.08569	10.1
132.81610	2.4
133.10115	18.1
135.11685	5.6
140.03079	2.6
143.08575	7.9
145.10109	11.6
147.08046	3.9
147.11691	35.2
149.13245	26.9
159.11703	12.1
161.09676	2.8
161.13245	11.9
161.80243	2.5
169.10110	2.8
171.11687	28.6
177.12703	5.7
179.03435	3.3
189.12740	9.5
195.13832	6.4
207.13814	29.7
225.14853	4.5
249.39554	3.0
268.03815	2.4
314.18509	2.6
439.34869	3.8
475.30893	77.8
476.31409	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	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
55.01856	4.0
55.05505	25.7
57.03427	10.3
57.07059	5.1
58.06596	11.0
59.04968	2.0
59.06939	1.7
59.07368	2.3
60.08162	3.0
65.03928	6.3
67.05502	98.0
69.03432	3.4
69.07066	27.5
70.98003	3.3
71.04985	7.2
71.08612	3.3
73.02898	1.9
77.03910	2.2
79.05486	93.0
80.05795	2.3
81.03413	10.2
81.07050	100.0
82.07359	2.5
83.04974	14.0
83.08614	19.5
84.33273	1.5
85.02905	2.4
85.06540	4.8
87.04430	1.6
91.05476	73.5
93.07036	92.6
94.07403	2.5
95.04964	23.3
95.08604	42.0
97.06531	13.8
97.10152	5.3
99.08073	2.5
103.05455	1.6
105.04488	3.5
105.07024	48.2
107.04962	5.8
107.07893	2.8
107.08586	40.5
109.06516	6.3
109.10139	8.9
110.81011	1.6
111.08064	6.5
111.11768	2.0
115.05431	2.7
117.06995	16.4
119.04855	1.7
119.08570	24.5
121.06487	3.9
121.10143	20.4
123.08055	7.0
123.11682	3.8
128.06219	4.6
129.06999	17.9
131.04951	1.9
131.08546	13.5
133.10129	17.5
135.08037	3.7
135.11684	10.8
137.09618	2.5
139.11177	3.2
141.09103	2.3
142.07753	2.3
143.08582	8.0
143.10669	2.6
144.10120	1.6
145.10098	10.9
147.08067	4.7
147.11681	35.7
149.09563	1.8
149.13237	24.2
150.58997	1.6
157.10001	2.4
159.11711	13.0
161.09576	7.6
161.13248	13.2
171.11684	24.8
177.12772	4.9
179.14351	2.1
185.13309	1.9
189.12737	12.6
190.09853	1.4
195.13782	8.8
201.16386	1.9
203.39287	1.5
207.13763	27.0
225.14886	4.5
236.14917	17.6
237.15237	12.1
267.21567	1.6
267.76758	1.5
269.17316	1.7
281.17279	2.4
284.79584	1.6
345.09497	2.0
418.90509	1.6
429.36142	2.7
439.35593	3.1
457.37479	9.3
475.30612	64.9
475.38162	26.1
476.30618	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	475.2689
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
51.96169	2.1
53.03938	5.5
55.01856	7.7
55.05275	2.7
55.05509	36.2
57.03437	9.4
59.04972	2.4
65.03930	2.9
67.05502	42.3
69.03406	4.6
69.07073	11.4
70.87402	5.6
71.04974	4.7
77.03906	1.7
79.05486	40.9
81.03413	29.3
81.07054	32.2
83.04993	10.1
83.08621	17.4
87.77644	1.8
91.05476	34.0
93.07044	29.2
95.04965	20.8
95.08603	23.1
97.02888	2.2
97.06518	7.1
97.10170	19.4
103.05459	2.0
105.03389	2.9
105.07034	27.1
107.04958	18.7
107.08587	17.8
108.61326	1.9
109.02862	8.3
109.06493	4.9
109.10165	14.4
111.08069	5.0
115.05429	2.8
117.07014	15.9
119.04951	3.6
119.08572	16.5
121.02839	4.8
121.06490	10.5
121.10127	10.6
123.04417	4.3
123.08050	5.8
125.02347	3.5
125.09627	17.4
128.06183	2.5
129.06989	10.7
131.04901	8.4
131.08572	13.1
133.06494	8.7
133.10091	8.5
135.04419	2.6
135.08047	5.7
135.11687	6.3
137.05963	2.8
141.06996	2.9
143.08543	8.1
145.06458	12.9
145.10118	11.5
147.04420	6.9
147.08040	10.5
147.11693	5.9
149.05904	2.5
149.09595	5.2
151.07480	2.5
153.09116	3.1
153.62059	2.0
155.08543	6.0
157.06511	4.3
157.10095	6.9
159.04320	3.5
159.08046	9.1
159.11693	3.0
160.05193	5.7
160.89676	1.9
161.05983	24.3
161.09628	4.5
163.07549	2.8
163.11142	13.4
165.09125	5.5
167.08611	3.6
169.06494	3.8
169.08662	2.0
169.10109	5.5
171.08080	6.4
171.11603	2.2
173.05994	8.3
173.09634	10.3
173.11801	2.1
175.07535	4.4
175.11157	6.4
179.08527	3.3
181.10135	2.5
183.08078	3.0
183.11627	3.8
185.05940	4.1
185.09592	3.9
185.13219	4.2
187.07533	4.5
187.11198	3.2
187.14949	2.2
189.09402	2.8
189.11226	6.3
191.10680	3.8
193.10176	3.3
193.12245	8.2
197.09636	4.9
197.13374	3.5
199.11316	2.6
201.12758	2.8
203.10803	3.9
203.14302	2.4
209.11598	2.4
211.11186	6.8
213.12764	6.3
213.77876	1.8
219.13831	2.3
223.11241	2.4
225.12712	3.1
227.12726	4.2
229.12102	2.8
231.13789	8.0
243.13757	5.9
247.13187	2.7
249.14864	2.9
257.15451	2.1
265.14313	2.6
269.15311	4.4
271.13239	7.3
273.14841	6.8
287.16541	2.7
289.14331	17.3
299.16449	2.9
327.15665	2.3
337.21741	5.4
341.08041	2.2
343.05927	3.4
355.22708	7.9
365.21155	18.0
369.07547	5.3
383.22147	91.3
384.22427	4.6
393.24402	2.1
397.10709	3.6
401.23196	36.2
411.24857	2.7
419.24283	3.0
421.23828	4.9
425.09906	2.4
429.26392	2.5
431.24130	9.4
439.24707	11.7
443.11374	2.2
457.25858	64.3
458.26236	2.5
475.26868	100.0
476.27054	5.2
487.82761	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	1.5
57.03407	1.2
57.56020	1.6
59.70255	1.4
64.54985	1.3
69.03422	3.4
69.86155	7.9
71.04985	1.7
73.02911	1.3
79.05508	1.6
81.03424	3.1
81.07063	3.0
83.04987	1.8
85.02901	3.6
89.03920	6.5
90.29652	1.3
91.05482	3.7
95.08595	1.4
98.21298	2.6
107.08598	1.9
109.02850	1.9
117.03382	17.5
119.08569	1.5
121.06522	1.6
121.10153	1.8
123.08120	2.0
127.03925	2.5
135.04417	3.1
137.05981	4.0
145.02847	45.3
147.04382	2.7
149.05934	7.3
149.09630	1.7
161.75993	1.3
163.03899	3.1
175.03963	1.5
177.05463	100.0
178.05836	1.3
185.11664	1.4
207.06496	1.4
242.69786	1.8
277.60367	1.3
313.10913	2.1
321.09753	1.4
323.56128	1.4
339.10721	5.8
342.31937	1.3
344.04028	3.2
381.30783	1.5
449.88690	1.5
475.15671	2.2
475.22171	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	475.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
57.79978	1.2
69.03426	3.9
70.06580	1.8
71.04966	2.7
71.14788	2.5
79.05490	2.4
83.04972	1.4
85.02901	3.7
89.03906	6.6
91.05472	2.5
92.00239	1.4
93.07058	2.3
95.08593	1.7
97.02884	1.5
101.05994	1.4
105.07052	2.0
109.02847	1.6
117.03376	16.6
119.08581	1.6
120.08116	1.1
121.10072	1.7
123.04411	1.3
134.03668	1.4
135.04416	2.5
137.05974	3.7
139.03851	1.4
145.02841	41.7
147.04422	2.3
147.08047	1.5
149.06001	5.9
151.03923	1.4
161.06209	1.5
162.64105	1.1
163.03931	2.2
165.09155	2.5
177.05472	100.0
179.08592	1.1
195.06433	1.6
207.06541	1.7
313.10672	2.4
320.09021	1.2
321.09708	2.4
339.10733	4.6
341.13370	1.2
344.03912	4.5
364.01382	1.3
475.15842	2.8
475.21756	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	475.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01864	0.9
55.05497	0.7
59.04993	0.4
65.03925	1.3
67.05499	1.6
68.99780	1.0
69.03409	0.9
69.07059	1.0
69.46866	2.5
71.04978	1.1
78.02363	0.3
79.05481	1.4
81.03425	0.4
81.07057	4.1
83.04968	1.1
85.02904	0.4
85.06519	0.4
91.05463	1.8
93.03392	0.5
93.07044	1.9
95.04940	1.7
95.08584	1.6
95.84051	0.3
97.02888	0.7
97.06522	0.9
98.20786	0.7
99.14688	0.3
103.05450	0.4
105.07021	1.1
107.04931	0.4
107.08604	0.9
109.02847	0.3
109.10151	0.6
111.00816	0.3
111.04440	4.4
117.07014	0.4
119.04941	1.0
119.08554	0.8
121.10137	6.4
123.04427	11.1
123.08069	0.5
123.11704	2.4
125.05985	1.0
125.09653	0.7
127.03886	0.4
131.04927	0.7
131.08601	0.5
132.21890	0.3
133.06488	0.3
133.10109	0.7
135.04378	0.3
137.05963	1.6
137.09624	0.4
139.03897	100.0
139.11177	2.5
140.04208	0.9
143.10663	0.4
143.71945	0.3
145.06485	0.4
145.10101	0.8
147.04404	2.1
149.09613	1.4
151.03893	0.9
151.07526	2.1
151.11197	0.4
153.01857	0.4
157.09924	0.3
159.11673	0.6
161.06000	0.7
163.03893	0.5
163.07562	0.9
165.01846	0.5
165.05444	1.0
165.09212	0.3
167.10660	2.1
175.07576	0.6
185.11765	0.7
207.06451	0.4
211.04028	0.3
212.94342	0.3
223.41064	0.3
227.19810	0.3
231.13960	0.4
267.04312	0.3
273.07608	3.4
291.08749	0.9
305.13651	0.3
313.14633	0.3
332.35861	0.3
475.06784	1.4
475.21313	0.4
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	Myrrhanone B
Peak:m/z	Relative Intensity
53.03933	1.5
55.05507	5.7
57.07058	2.3
65.03924	1.5
67.05490	5.4
67.66244	1.1
69.07072	8.1
79.05489	7.1
81.03421	2.3
81.07048	18.5
83.04978	1.7
83.08614	3.7
85.06533	2.8
91.05469	7.2
93.07042	18.3
95.05004	1.8
95.08608	26.3
97.06509	2.3
97.10146	2.1
99.08059	1.3
105.07030	16.4
107.08591	30.2
109.06504	3.5
109.10161	13.8
111.08074	3.6
117.07062	2.4
118.95720	1.2
119.08581	21.0
121.10136	20.3
123.11707	6.1
125.09636	1.4
125.88178	1.3
128.52525	1.2
129.07030	2.2
131.08585	8.8
131.61945	1.3
133.10129	12.5
135.08051	2.2
135.11676	21.4
137.09540	2.0
137.13248	1.6
143.08533	5.0
145.10130	10.0
145.37140	1.3
147.11690	18.8
149.13261	13.9
151.11150	1.5
157.10164	3.5
159.11736	8.3
161.13231	10.7
163.11211	2.8
163.14825	15.7
165.12776	1.6
167.03456	1.7
171.11690	4.6
173.13269	6.2
175.14771	7.1
177.16412	14.7
185.13223	2.1
187.14850	18.4
189.16388	26.6
189.17947	2.6
191.17952	5.0
192.40898	1.4
195.58011	1.4
199.14859	2.2
201.16426	12.2
203.17976	5.0
205.15877	86.1
207.17427	35.1
209.22034	1.8
213.16438	4.0
215.17947	8.5
217.19485	2.6
219.17479	6.9
225.16420	2.0
229.19475	2.4
241.19550	1.8
255.21095	5.7
257.22443	1.9
269.22629	4.6
287.23703	1.5
384.06595	1.7
391.33597	4.1
409.34689	16.5
419.33313	2.0
423.08521	2.2
427.35724	100.0
428.35968	1.8
437.34418	6.9
441.09653	4.4
442.10101	2.0
455.35480	8.8
473.35849	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	473.3624
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
51.95404	5.2
55.05503	17.9
64.49032	5.6
67.05483	22.4
69.03402	5.6
69.07051	25.3
69.75461	19.7
69.75872	16.4
74.33967	5.8
79.05478	22.3
81.07048	62.5
83.04965	7.6
83.08595	20.5
83.52641	5.3
91.05492	33.3
93.07068	48.5
95.04948	14.4
95.08604	79.7
97.10187	6.3
105.07023	57.9
107.08584	72.7
109.10158	52.0
119.08578	62.9
121.10143	46.0
122.42164	5.8
123.11691	14.2
129.06903	6.5
131.08549	19.4
133.10115	43.8
135.10793	6.5
135.11697	34.1
145.10136	32.9
147.11679	54.6
149.13271	29.5
157.10110	6.1
159.11674	27.6
161.13254	29.9
163.11127	9.8
163.14813	27.3
163.22182	6.6
167.03403	58.7
173.13196	7.7
175.11172	8.1
175.14818	34.9
177.16399	40.6
179.03372	17.3
187.14748	32.0
189.16388	67.8
191.17911	15.7
201.16321	22.1
203.17970	100.0
205.15872	80.7
205.19498	16.0
207.17424	25.8
213.16489	6.6
215.17912	10.3
219.17363	9.0
249.18546	17.6
267.06531	11.6
271.09726	14.4
283.09531	14.5
391.33459	7.7
409.34671	83.6
427.35794	33.2
437.34021	31.7
455.35498	29.5
473.27548	13.8
473.35532	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	473.3621
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
53.03943	4.2
55.05507	25.1
57.07077	2.9
59.05007	2.4
63.48923	2.2
65.03918	2.3
67.05499	20.6
69.07059	26.2
69.53999	17.8
79.05485	25.2
81.03420	15.1
81.07055	42.6
83.04979	7.2
83.08605	23.6
88.37434	2.4
91.05477	31.5
93.06483	4.3
93.07037	48.6
95.04952	8.3
95.08599	83.2
97.06522	4.9
97.10152	4.0
98.21487	5.0
99.08105	2.7
105.04469	2.5
105.06391	3.8
105.07027	40.0
107.07882	4.3
107.08582	60.3
109.06528	4.6
109.10143	55.1
111.08060	3.2
111.11688	3.1
115.05464	2.7
117.06997	6.6
119.08568	90.9
121.10137	69.0
121.10820	1.5
123.08043	5.6
123.11700	21.4
129.07008	7.2
130.99730	2.1
131.08543	15.5
133.10114	48.1
135.08040	8.6
135.11670	41.7
137.09554	5.5
137.13242	7.2
143.08498	4.2
145.10098	36.0
147.11665	45.6
149.09573	5.8
149.13237	23.2
151.07539	2.8
157.10104	7.7
159.11687	28.8
161.13237	27.6
163.07559	7.8
163.11140	5.7
163.14810	29.7
170.10965	2.1
171.11708	8.7
173.09572	2.6
173.13258	22.9
175.11201	3.3
175.14836	17.8
177.09096	5.0
177.16350	16.4
179.14268	5.3
183.11786	2.6
185.13284	5.7
187.14801	44.3
189.12746	4.6
189.16347	47.0
191.14262	3.2
191.17912	75.7
192.18301	4.2
193.12230	4.1
199.14778	6.0
201.16362	33.2
203.17935	65.2
205.15860	26.2
205.19502	6.9
207.13852	5.8
207.17453	10.5
213.16327	7.3
215.14442	3.3
215.17842	4.9
217.19478	10.8
219.17421	15.2
221.18982	5.4
227.18018	3.1
229.15865	4.9
229.19539	6.9
231.17418	4.1
231.21045	6.3
233.15378	12.3
233.18916	3.2
247.16972	21.0
249.18491	7.2
251.16472	3.2
265.17984	11.8
273.18747	2.4
391.33453	10.4
409.34616	100.0
427.35583	18.7
437.33914	15.7
455.35165	36.1
473.28903	12.4
473.36160	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3622
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03932	2.0
55.05508	18.5
57.07067	3.7
59.04990	5.5
67.05499	20.8
69.07050	18.0
69.49731	5.5
69.50161	9.5
71.04969	3.2
71.08618	2.0
79.05481	18.5
81.03391	2.6
81.07048	44.9
83.08609	14.6
85.06536	2.4
91.05465	19.4
93.07038	37.0
95.04964	6.9
95.08600	80.9
97.02659	1.7
97.10146	5.8
98.21449	4.3
99.08070	2.5
105.07022	40.5
105.22773	1.9
107.08580	63.5
109.06536	4.5
109.10146	71.5
111.08089	3.2
113.09586	4.1
117.07001	5.8
119.08577	54.3
121.10130	58.7
123.08036	3.3
123.11699	18.6
125.09586	2.0
127.11199	6.1
129.06943	3.1
131.08537	17.9
133.10114	44.1
135.11679	29.4
137.13260	8.4
143.08549	4.6
144.09265	1.8
145.10135	29.0
147.11671	33.2
149.13251	19.6
157.10118	7.4
159.11681	24.2
161.13254	21.4
163.14783	13.8
165.12762	4.3
169.10100	3.0
170.66429	1.9
171.11690	8.3
173.13239	23.8
175.14806	50.1
177.16357	40.4
183.11708	3.2
185.13225	7.7
186.14024	2.0
187.14793	21.0
189.16368	32.3
191.17950	9.8
193.12218	2.7
193.15904	3.4
197.13257	2.3
199.14822	8.3
201.16351	34.1
203.17918	23.6
205.15907	9.1
205.19534	4.0
207.17332	2.8
211.14908	3.8
213.16347	6.5
215.17928	13.1
217.15935	2.1
217.19545	6.1
219.17369	11.8
221.15338	2.9
225.16342	3.4
227.17943	8.7
229.19481	6.1
231.17372	2.6
233.15437	3.4
233.19087	4.9
235.16869	2.9
239.17908	4.1
241.19487	7.0
243.21043	6.1
247.16943	2.9
253.19623	2.1
255.21170	4.2
269.22623	3.5
273.18454	6.1
281.22565	8.3
283.24158	10.5
293.22586	2.2
295.24136	5.5
297.25665	9.9
311.23688	3.2
313.21542	2.5
313.25119	2.0
321.26035	2.0
327.23196	9.2
329.24936	5.0
343.26260	18.4
345.24240	4.9
351.30405	5.3
355.26233	2.2
391.33594	25.5
409.34637	48.2
419.32977	14.6
427.35599	8.4
437.34134	100.0
438.34555	6.5
438.80295	2.2
447.82001	2.0
455.35156	53.7
456.35422	3.1
473.29691	2.4
473.36285	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	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.38587	1.5
55.05501	7.1
57.07056	1.8
62.22657	1.4
67.05501	12.5
69.07056	12.4
70.76675	3.8
76.10707	1.8
79.05482	6.3
81.07050	22.5
83.04984	1.9
83.08589	7.5
91.05479	8.3
93.07043	22.0
95.04951	1.6
95.08603	39.5
97.06531	1.7
97.10154	3.8
103.05417	1.8
105.07025	17.0
107.08588	32.4
109.06516	3.5
109.10151	26.7
111.08085	3.3
117.07007	3.6
119.08573	31.2
121.10139	27.6
123.08051	4.9
123.11695	8.8
131.08537	8.9
133.10132	26.4
135.08022	2.8
135.11676	24.6
137.09560	2.0
137.13228	2.4
139.11116	1.7
143.08559	3.4
145.10085	16.4
147.11703	24.1
149.09660	2.5
149.13235	14.2
151.11111	2.4
157.10110	3.8
159.11682	12.7
161.13220	13.5
163.11101	2.1
163.14787	12.8
167.03369	1.4
171.11632	3.7
173.13260	11.8
175.14807	15.2
177.16357	7.1
185.13300	2.3
187.14778	14.1
189.12810	1.9
189.16393	20.0
191.17935	15.4
199.14850	4.5
201.16388	18.8
203.17979	13.9
205.15854	13.0
205.19499	1.8
207.17459	15.8
213.16379	2.4
215.17868	7.5
217.15950	1.6
217.19505	6.5
219.13969	1.8
219.17389	4.2
221.15370	4.1
221.18954	2.7
227.17830	2.8
229.19426	3.8
233.15253	1.6
233.18806	1.9
235.20465	2.5
241.19510	2.0
247.16910	6.3
255.21077	4.7
269.22583	4.1
275.19925	1.6
301.21576	3.0
313.25180	1.7
331.26270	5.7
357.27850	4.3
391.33673	2.9
409.34665	31.5
425.34033	2.1
427.35690	100.0
428.35977	4.2
437.34097	8.7
455.35147	8.2
473.36621	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	473.3624
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
53.03922	8.1
55.05501	19.1
59.05009	5.2
63.10138	4.2
67.05509	32.6
68.41386	5.2
69.07044	22.7
69.39503	40.8
73.52588	4.3
76.72752	5.0
79.05490	42.7
81.03415	27.7
81.07056	59.1
83.04958	7.9
83.08610	12.3
88.93546	4.1
91.05476	39.0
91.67300	4.2
93.07039	44.0
95.04958	16.0
95.08601	81.7
97.06557	6.4
97.10166	6.5
103.67770	4.1
105.07027	45.8
107.04932	5.4
107.08593	72.6
109.10159	42.6
111.08084	8.4
117.07045	6.1
119.08572	61.2
121.06530	7.3
121.10151	47.1
123.08093	7.0
123.11701	20.2
129.50804	4.7
131.08568	19.9
133.10121	52.3
135.11700	29.3
137.13275	8.3
143.08553	8.7
145.10127	38.5
147.08046	5.5
147.11696	46.4
149.09627	5.7
149.13235	22.8
151.07529	5.3
157.10088	13.2
159.11737	25.0
161.09572	6.1
161.13277	31.3
163.11169	15.2
163.14828	23.9
165.09152	26.2
169.10078	6.5
171.11702	16.3
173.13271	17.6
175.14798	24.5
177.16379	40.2
179.14403	5.9
185.13341	6.9
187.14809	54.1
189.12743	7.5
189.16371	67.7
191.14267	6.3
191.17894	12.7
193.12192	11.5
197.13184	7.5
201.16414	16.9
203.17946	100.0
205.12343	4.4
205.15878	93.4
205.19560	13.5
207.13803	8.9
207.17471	10.9
213.16335	9.0
219.17598	4.8
249.18533	15.3
334.66483	4.9
383.19156	5.4
391.33740	12.2
409.34729	55.8
426.77118	5.1
427.35565	6.0
437.34344	46.3
455.30194	6.7
455.35657	8.1
473.28714	14.2
473.35693	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
55.05495	11.3
61.27272	7.9
67.05479	25.5
69.07048	20.2
79.05463	16.0
81.07040	51.6
83.08624	12.2
87.46135	7.2
91.05452	16.5
93.07030	47.4
95.08608	100.0
97.10155	11.6
98.21543	20.6
98.53576	8.4
105.07005	45.5
107.08590	47.9
109.10178	60.4
119.08573	46.9
121.10126	55.3
123.11701	29.5
125.09598	10.1
131.08533	12.4
133.10149	50.1
135.11665	32.8
145.10100	16.3
147.11664	40.8
149.13237	26.6
149.62589	8.4
159.11674	23.4
159.16867	7.6
161.13206	33.5
163.14799	25.8
173.13246	21.0
175.14772	46.3
177.16415	45.8
179.03447	22.2
187.14682	19.6
189.16318	28.2
191.17874	14.8
201.16356	13.3
203.17981	31.2
205.19415	17.6
217.19545	48.6
221.15375	16.9
229.46576	9.1
235.16827	15.2
235.20520	21.2
247.16806	10.9
283.09781	16.9
322.80145	8.5
397.34329	9.9
409.34207	13.1
425.34018	15.4
427.36130	10.5
437.33939	29.6
443.35233	23.7
455.35004	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3625
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
51.52737	1.6
52.15445	1.6
55.05511	14.4
57.07065	4.5
57.45870	1.7
59.04988	7.1
65.03931	2.9
67.05499	23.0
69.07062	19.3
69.46164	8.6
69.46571	5.9
71.04989	2.8
79.05499	17.5
81.07056	48.2
83.08618	13.3
84.91150	1.9
85.06544	2.1
91.05468	19.4
93.06490	2.9
93.07046	39.2
95.04953	5.7
95.08604	79.2
97.10142	4.1
98.20757	2.6
99.08079	2.8
103.05424	2.1
105.07033	41.1
107.08591	64.6
109.06557	4.2
109.10153	74.6
111.11668	2.4
113.09642	2.6
117.07030	7.6
119.08574	55.8
119.09380	3.8
121.10143	58.4
123.08052	4.5
123.11696	20.6
127.11234	5.9
129.06958	2.8
131.08549	17.2
133.10129	45.1
135.11691	29.8
137.13281	8.5
138.40190	1.9
143.08582	7.3
145.10112	29.8
147.11681	36.7
149.09589	2.3
149.13231	18.3
157.10124	7.9
159.11705	30.9
161.13237	20.2
163.14824	12.8
165.16348	2.2
167.03459	4.4
169.10085	2.8
171.11722	6.5
173.13228	28.2
175.14815	44.2
177.16368	36.0
177.60410	1.9
178.16779	2.2
179.03389	47.9
183.11729	3.0
185.13326	5.4
186.13969	2.2
187.14824	20.4
189.16368	29.2
191.17941	8.2
193.04919	3.3
193.15758	1.9
197.04410	11.9
197.13254	3.2
199.14836	6.2
201.16368	27.8
203.17963	24.5
205.15933	8.7
205.17589	2.0
205.19569	2.5
207.17458	3.1
207.76164	2.2
213.16406	6.6
215.17998	17.0
217.15799	2.8
217.19444	4.7
219.17409	7.8
221.15359	3.8
225.16295	2.5
227.17856	9.5
229.19502	9.2
231.17400	3.3
231.21109	2.0
233.15422	2.6
233.19032	4.0
235.17058	3.8
241.19560	4.9
243.21201	6.0
247.16968	3.4
253.19464	2.4
255.21115	5.5
259.20517	2.5
267.21045	3.6
273.18478	7.7
281.22711	6.4
283.09579	16.8
283.24188	8.5
284.09793	2.3
287.20154	2.5
295.24185	3.1
297.25650	9.6
299.23730	3.3
309.21994	2.0
311.23587	4.6
325.25244	5.0
327.23138	8.0
329.24796	4.6
343.26343	16.7
345.24210	3.4
351.30588	5.8
391.33517	26.2
407.32703	2.3
409.29736	2.4
409.34711	34.7
419.33194	9.4
427.35733	8.7
437.34146	100.0
438.34503	3.7
455.35168	44.1
456.35608	2.4
473.27527	9.5
473.36322	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	473.3624
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05497	2.1
57.03424	0.5
57.07067	0.9
67.05499	4.2
69.07060	4.8
70.54209	1.1
70.54607	0.9
71.04987	0.6
71.08642	0.6
77.03877	0.6
79.05481	3.4
81.07056	10.3
83.08626	3.5
83.09039	0.6
85.06521	0.8
85.85629	0.4
91.05482	4.4
93.07040	9.9
95.04936	0.6
95.08598	15.8
97.06519	1.1
97.10153	1.4
99.01485	0.5
99.08119	0.6
102.33475	0.5
105.07024	7.5
107.08587	17.5
107.77965	0.4
109.06522	1.6
109.10143	10.3
111.08075	2.1
117.06998	1.7
119.08573	18.2
120.45145	0.4
121.06471	0.7
121.10131	10.8
123.08062	4.5
123.11691	5.3
131.08549	4.7
133.06480	0.5
133.10117	13.4
134.10464	0.5
135.08035	1.5
135.10709	0.9
135.11687	13.4
137.09604	1.2
137.13254	1.6
143.08568	1.5
145.10127	9.7
146.10835	0.6
147.11681	13.2
149.09628	1.3
149.13248	6.0
151.11137	1.6
157.10118	2.3
159.11688	7.1
159.12924	0.8
160.12466	0.6
161.13231	6.1
163.11238	1.2
163.14824	4.7
165.16208	0.5
171.11690	1.7
173.13225	4.7
175.14841	6.1
177.16383	3.1
179.03412	0.5
179.10632	0.5
179.14366	0.7
185.13326	2.4
187.14809	8.6
189.16365	15.9
191.17940	2.0
193.15900	0.5
199.14832	2.4
201.16364	17.0
203.17946	10.4
205.15854	6.9
207.17419	16.7
211.14880	0.8
213.16315	2.7
215.17889	5.4
217.15854	0.7
217.19478	1.1
219.17438	2.2
221.15288	1.0
221.19038	1.4
227.17921	1.8
229.19505	3.3
233.15430	0.7
233.18900	0.7
235.16875	0.9
241.19524	1.6
243.21080	2.2
245.98813	0.5
247.16933	8.2
253.19493	0.8
255.21057	5.8
257.22552	2.3
267.20935	0.6
269.22726	2.9
273.22235	0.6
281.22842	1.1
287.20084	0.8
289.21539	1.0
295.24106	0.8
301.21533	3.5
303.23242	2.1
315.23190	2.3
329.24915	0.5
331.26340	5.9
357.27808	4.7
391.33896	2.5
409.34781	4.9
419.33362	0.7
427.35681	100.0
428.36081	4.0
437.34152	8.1
455.35114	5.7
473.36343	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	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10818	1.3
51.02385	1.8
53.03947	9.6
55.01879	5.6
55.05512	27.2
57.03426	4.1
57.07058	1.5
58.13028	1.0
65.03937	4.8
67.05504	66.7
69.03419	4.9
69.07066	17.1
70.64914	1.4
70.65244	2.3
71.05000	3.0
77.03902	1.5
79.05492	82.7
81.03418	100.0
81.07055	62.2
81.07463	0.9
83.04980	19.2
83.08623	22.3
85.02882	1.3
85.06531	3.7
85.58871	1.3
91.05481	80.4
93.07043	66.2
93.07485	1.0
93.07644	2.4
95.04967	44.5
95.08603	42.2
97.02872	4.3
97.06525	6.5
97.10155	7.2
99.04430	1.4
99.08070	2.3
102.92011	1.1
103.05463	2.6
105.04512	2.3
105.07028	58.8
107.04955	13.8
107.08593	35.6
109.06513	9.5
109.10158	16.5
110.75579	1.0
111.04435	2.2
111.08064	8.7
111.40881	1.2
115.05430	4.0
116.06206	1.1
117.07018	13.8
119.04920	2.3
119.08580	50.2
120.09029	1.2
121.06512	8.7
121.10148	22.2
123.08080	10.1
123.11707	7.1
125.09620	5.5
127.07522	1.3
128.06215	5.3
129.07002	30.0
130.07843	1.4
131.04881	1.5
131.08563	19.7
133.06467	5.3
133.10135	28.0
135.08046	2.4
135.11684	11.3
137.06059	1.1
137.09584	3.4
137.13263	1.6
141.06969	3.2
142.07748	3.7
143.08569	13.4
145.06477	4.2
145.10120	19.8
147.08051	7.1
147.11687	41.8
149.09590	6.7
149.13251	6.5
151.07602	1.3
151.11148	3.3
153.09111	1.9
155.08545	3.3
156.09331	1.6
157.06482	1.6
157.10144	12.2
159.08035	3.4
159.11691	7.5
161.09593	6.2
161.13257	18.3
163.11153	3.6
163.14804	5.0
165.09099	5.8
165.12735	2.6
167.08615	2.1
167.10614	2.0
169.06503	1.4
169.10088	3.3
171.08055	1.8
171.11678	22.0
172.12079	1.6
173.13225	5.0
175.11205	9.6
175.14830	5.0
177.12718	1.5
177.16418	6.8
179.14282	3.9
181.10075	1.1
182.01439	1.1
183.11716	1.8
185.13260	2.8
187.11172	2.0
187.14838	7.4
189.11238	1.8
189.12761	11.2
189.16408	11.7
191.14301	1.7
191.17961	5.8
193.10480	1.7
193.12251	31.9
195.11700	2.4
197.13309	2.1
199.11140	1.3
199.14879	1.7
201.16360	4.3
203.14323	3.7
203.17918	9.3
205.12164	1.7
205.15891	10.6
205.19533	2.2
207.11903	1.0
207.13786	24.1
207.17426	1.9
211.14821	2.1
213.16275	1.6
215.18010	1.6
217.12164	6.3
217.15891	1.9
221.15312	1.8
225.14798	3.9
229.15837	2.7
229.19693	1.5
231.13885	1.8
233.15439	2.5
245.01984	1.5
247.17072	2.1
249.14934	5.6
249.18593	2.5
271.16794	1.6
281.17435	1.6
297.18674	1.3
299.20081	1.4
307.15399	1.2
355.29959	2.0
363.23233	2.5
381.24295	6.2
394.04691	1.3
397.34662	1.3
399.25192	4.1
403.24551	1.5
409.34671	3.2
422.54910	1.1
427.35760	2.0
437.34097	4.4
455.27747	3.5
473.28897	79.5
473.36044	24.2
474.29160	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	473.3625
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
53.45977	3.6
55.05498	8.0
67.05508	8.5
69.07052	11.3
69.27635	38.2
73.46540	3.8
79.05475	12.2
81.07065	19.4
81.50519	3.9
83.04955	5.7
83.08566	3.7
91.05485	6.1
93.07064	20.0
95.08607	43.0
98.20932	14.0
105.07001	22.5
107.08583	45.0
109.10155	18.2
119.08586	36.7
121.10141	36.8
123.11662	4.9
124.41882	3.6
131.08575	6.8
133.10109	30.8
135.08070	5.2
135.11703	22.6
145.10103	23.5
147.11670	16.7
149.13235	11.0
159.11705	20.9
161.13261	17.4
163.11168	15.5
163.14861	8.5
169.97078	3.9
173.13264	4.5
175.14827	13.7
177.16342	28.8
185.13252	3.8
187.14781	33.4
189.16364	46.2
201.16386	8.1
203.17987	41.8
205.15865	100.0
205.19479	7.0
207.17436	17.2
217.15889	4.8
219.17480	6.0
223.16962	7.5
227.17903	4.3
249.18402	12.1
313.25528	4.8
391.33408	6.5
409.34637	29.6
427.35709	39.0
437.34137	26.9
455.35123	12.5
473.35446	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03938	11.2
55.01848	6.2
55.05505	32.1
57.03411	6.1
57.07060	3.7
57.45081	1.4
61.94296	1.6
63.29951	1.4
65.03917	5.1
67.05502	66.9
69.03403	5.2
69.07066	24.3
69.85573	4.2
69.85984	3.8
71.04971	5.4
73.06560	1.9
77.03918	2.5
79.05489	74.9
81.03414	100.0
81.07051	68.5
81.85212	1.4
83.04986	16.2
83.08610	26.4
85.02885	5.1
85.06501	4.8
91.05473	73.1
93.07039	69.0
93.07642	2.5
94.72464	1.3
95.04391	2.4
95.04963	42.0
95.08602	61.4
97.02882	4.1
97.06536	9.5
97.10128	7.0
99.08048	4.3
103.05444	3.4
103.41850	1.6
105.04504	2.9
105.07028	65.9
106.07335	2.7
107.04961	12.7
107.07891	2.4
107.08588	49.3
109.02872	3.4
109.06517	9.3
109.10146	28.8
111.04389	2.0
111.08073	11.9
113.05953	1.6
115.05420	4.5
116.06194	1.7
117.07014	16.5
119.04912	2.7
119.08578	63.2
121.06499	9.0
121.10131	32.7
123.04333	1.6
123.08078	8.8
123.11675	10.2
125.05995	2.0
125.09589	6.1
127.07587	1.9
128.06200	4.9
129.06995	26.5
130.07735	1.8
131.08563	24.7
133.06464	5.0
133.10117	33.0
135.07999	5.5
135.10732	1.8
135.11681	26.0
137.05942	3.0
137.09561	7.3
137.13210	5.7
139.07462	1.7
139.11150	1.8
141.06973	3.0
142.07736	6.1
143.08545	13.7
145.06438	5.2
145.10120	24.2
147.08029	6.6
147.11684	46.1
149.09633	9.8
149.13293	11.1
151.07549	2.2
151.11131	3.5
153.09065	2.4
155.08554	3.5
156.09340	2.2
157.10112	14.2
158.10820	1.8
159.07993	4.4
159.09499	1.4
159.11659	18.8
161.09584	6.1
161.12018	1.8
161.13252	19.7
163.11185	3.4
163.14803	9.5
165.09111	12.8
165.12724	4.6
167.08545	2.6
169.10083	2.9
171.11679	32.1
173.09549	4.3
173.13164	9.8
175.11214	13.1
175.14803	17.6
177.12675	2.4
177.16377	12.3
179.14246	3.0
183.11615	4.3
185.09633	1.7
185.13217	6.9
187.11195	2.1
187.14851	9.4
189.09015	2.0
189.12737	10.8
189.16365	14.6
191.14236	4.5
191.17940	19.4
193.12215	29.4
193.15791	3.5
197.13237	3.3
199.14781	5.8
201.12602	1.6
201.16380	17.9
203.14359	3.5
203.17880	10.5
205.15796	3.6
207.13791	22.7
207.17432	2.7
213.16328	4.5
215.17935	6.8
217.12257	3.6
217.15945	2.7
219.13824	1.8
219.17398	10.1
225.14566	2.3
227.17976	1.7
229.15746	4.2
229.19571	2.2
231.17406	2.7
233.19003	3.5
235.16844	2.3
237.18352	2.4
241.15746	1.7
243.20969	1.9
247.16896	2.3
249.14848	4.4
249.18439	3.4
259.20575	2.3
339.11847	1.5
363.23007	2.7
381.24280	4.5
391.33572	5.1
409.34924	9.7
419.33127	2.7
427.35718	6.2
437.34778	7.9
455.35428	4.1
473.05832	1.6
473.28799	62.8
473.35458	3.1
474.28833	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	473.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01868	4.5
55.05267	2.2
55.05510	20.6
57.03423	4.0
57.07075	2.6
65.03925	4.3
67.05502	61.8
69.03435	4.2
69.07075	14.8
70.13917	2.9
70.14300	3.0
71.04984	5.3
77.03899	1.6
79.05490	76.3
81.03417	100.0
81.07053	54.6
83.04990	11.5
83.08617	22.3
85.06539	2.8
91.05478	72.8
93.07041	57.9
95.04966	41.0
95.08605	39.6
97.02897	3.1
97.06529	5.6
97.10172	5.9
103.05481	2.0
105.04502	2.8
105.06313	2.5
105.07028	52.5
107.04958	10.1
107.08592	28.5
109.06517	8.9
109.10146	15.4
111.04387	1.5
111.08076	6.7
113.09620	1.8
115.05452	5.6
117.07019	10.2
117.39454	1.3
118.07443	1.3
119.04917	2.3
119.08582	51.4
121.06509	5.4
121.09333	2.2
121.10139	19.6
123.08097	6.7
123.11681	6.7
125.09640	2.9
125.74439	1.4
127.07513	2.8
128.06230	4.3
129.06999	25.4
130.07741	1.8
131.08549	22.0
133.06493	5.1
133.10118	27.4
135.08023	1.8
135.11690	14.8
137.09627	2.8
137.13252	2.6
141.06996	2.1
142.07768	4.9
143.08556	11.7
145.06453	1.9
145.10126	22.1
147.08037	7.4
147.11685	35.4
149.09634	5.5
149.13243	4.8
151.11171	1.7
151.80145	1.4
155.08524	4.1
156.09332	1.4
157.10133	13.4
159.08049	1.8
159.11687	9.6
161.09615	5.2
161.13237	17.2
162.13445	1.4
163.11172	4.3
163.14760	3.4
165.12802	3.4
169.10156	4.3
171.08127	1.6
171.11682	22.0
173.13246	4.3
173.96727	1.6
175.11177	8.6
175.14854	5.4
177.12798	2.1
177.16386	2.8
181.10098	2.8
183.11725	2.3
185.13251	3.4
187.14874	7.6
189.12744	8.8
189.16370	7.4
191.17931	10.3
193.12228	25.8
201.12704	1.5
201.16409	5.7
203.14273	2.2
203.17944	6.2
205.15872	2.9
207.11862	2.9
207.13789	17.9
207.17429	3.0
209.13208	2.0
213.16310	3.5
215.14120	1.7
215.17880	1.7
217.12225	2.4
217.19591	1.9
219.17421	6.3
225.14911	4.1
228.35236	1.6
229.15802	4.8
233.18900	2.2
247.17003	2.0
249.14900	6.2
363.23318	2.0
381.24109	6.7
391.33176	1.8
392.83426	1.7
399.25427	1.9
409.34891	8.0
417.26065	2.4
419.33322	2.1
427.35733	2.0
437.34512	6.6
445.35663	1.7
455.29413	2.0
455.35117	14.4
473.28918	73.6
473.36032	27.3
474.29010	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	473.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03757	0.8
53.03944	9.3
55.01865	4.6
55.05507	22.4
56.96533	0.8
57.03448	4.6
57.07050	0.9
59.04974	1.0
61.02905	1.0
61.75903	0.8
65.03932	4.4
67.05501	55.2
69.03416	3.2
69.07066	11.0
71.04984	3.7
73.06549	1.0
74.64712	0.9
77.03927	1.6
79.05489	68.2
81.03414	100.0
81.07052	46.3
81.07497	0.7
83.04974	11.4
83.08154	1.6
83.08613	22.2
85.06522	2.4
91.05476	66.6
92.05796	1.1
93.07038	51.1
95.04965	39.5
95.05576	2.0
95.08606	24.3
97.02882	3.3
97.06512	5.0
97.10181	5.9
99.08058	1.6
103.05447	1.8
105.04493	1.6
105.07024	47.4
106.07310	1.0
107.04963	11.6
107.08587	19.8
109.06521	7.7
109.10159	9.5
111.04436	2.0
111.08072	8.6
115.05444	2.8
117.06998	10.1
118.39396	0.9
119.04930	1.4
119.08577	33.7
121.06479	4.1
121.10119	10.9
123.08073	5.6
123.11668	1.5
125.09631	2.8
127.07538	2.0
128.06200	3.9
129.07002	22.6
131.08577	15.6
133.06519	4.2
133.10114	13.7
135.08057	2.3
135.11682	4.2
137.09593	3.1
141.06937	2.8
141.09090	1.2
142.07770	2.5
143.08551	10.1
145.06480	3.1
145.10118	12.1
147.08034	6.0
147.11679	32.6
149.09639	4.9
149.13248	1.9
151.11154	1.0
155.08510	2.9
156.09340	1.2
157.06467	1.7
157.10114	10.2
159.08066	2.4
159.11610	5.1
161.09575	4.9
161.13242	11.3
163.11063	1.9
163.14850	1.3
165.09143	1.2
165.12801	2.1
167.08545	1.1
169.10141	1.2
171.08064	1.5
171.11678	22.2
173.09607	0.9
173.13240	1.7
175.09944	1.0
175.11198	9.2
177.16418	1.7
185.13248	2.3
187.14792	1.5
189.11172	1.1
189.12755	11.3
189.16354	1.9
191.17822	1.2
193.10434	1.9
193.12227	29.6
201.16365	1.9
205.12276	1.2
205.15805	1.2
207.13789	20.3
207.17461	0.7
213.12669	1.2
217.15822	1.2
225.14790	2.6
229.15918	1.9
231.13841	1.5
249.14781	3.9
267.15842	1.0
269.12518	1.1
281.17508	1.1
323.40643	0.8
363.23145	0.9
381.24338	4.3
399.25153	2.5
417.26138	1.1
455.27170	1.5
473.28912	58.2
473.35455	2.6
474.29059	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	473.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73464	1.1
53.03943	10.3
55.01851	3.7
55.05509	21.3
57.03422	4.5
65.03925	4.2
67.05502	54.1
69.03413	5.7
69.07069	12.1
71.04992	3.1
77.03892	1.7
79.05015	1.6
79.05493	70.4
81.03416	100.0
81.07054	40.8
83.04984	14.5
83.08614	23.4
85.06538	2.1
91.05479	65.9
93.07042	56.0
93.07632	2.5
95.04964	44.0
95.08607	26.0
97.02909	3.3
97.06529	3.6
97.10162	4.4
99.08150	1.7
101.29858	1.2
103.05452	1.7
105.04525	2.7
105.07029	48.3
106.07388	1.4
107.04936	10.5
107.08600	14.7
109.06516	7.8
109.10148	5.2
111.08093	6.7
115.05469	3.6
117.06992	9.6
119.04988	1.7
119.08581	29.1
121.06480	4.5
121.10136	9.0
123.08063	5.4
123.11703	2.0
125.05977	1.3
125.09642	2.1
127.07584	2.5
128.06201	4.8
129.07002	24.6
131.08583	11.5
133.06488	4.6
133.10129	13.4
135.11691	2.1
137.09608	2.4
141.06982	1.7
141.09061	1.5
142.07780	3.0
143.08572	9.5
145.06424	1.3
145.10139	10.8
147.08037	5.0
147.11679	35.1
149.09590	5.0
157.10098	9.8
159.11642	1.8
161.09639	3.7
161.13254	10.2
163.11150	2.4
165.12825	1.5
169.10138	1.3
171.08061	1.8
171.11670	23.9
175.11169	10.7
189.11276	1.8
189.12755	10.4
193.12239	33.8
207.13766	26.4
207.15527	2.2
213.12802	1.6
217.12146	1.5
218.74049	1.3
225.14816	3.0
249.14912	5.6
291.04684	1.3
348.14761	1.2
363.23062	1.7
381.24301	4.9
394.66943	1.4
399.25366	2.0
420.35748	1.3
432.43860	1.4
437.72385	1.4
473.28970	77.1
474.29465	2.1
481.12048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52035	0.9
53.03934	1.9
55.05507	2.9
56.96556	1.5
59.04989	4.1
67.05504	6.1
69.03428	5.8
69.07050	5.0
69.49759	1.0
70.06601	1.6
70.61577	3.3
71.05000	5.3
71.05316	0.9
79.05493	10.3
81.03415	3.3
81.07055	25.1
83.04978	2.4
84.47252	0.9
85.02899	2.7
89.39173	1.1
90.20326	1.0
91.05460	4.4
92.79491	1.0
93.07030	11.7
95.04960	9.4
95.08613	10.1
97.02887	2.8
97.06521	5.8
97.10172	1.3
98.21317	1.9
98.97576	16.1
99.04489	1.1
103.05465	1.2
105.07028	5.9
107.04971	1.4
107.08589	6.1
109.02900	2.2
109.06498	2.5
109.10151	4.4
111.04407	1.1
111.08135	1.3
111.11669	1.0
115.05435	1.0
116.98627	10.9
119.08581	2.7
121.02892	1.0
121.06468	1.7
121.10141	45.6
123.08006	2.4
123.11703	15.6
125.06037	6.6
125.09632	3.6
127.03915	100.0
127.11188	1.3
131.04953	1.2
131.08545	1.1
133.10178	1.1
134.99692	6.0
135.07954	1.1
137.02295	1.3
137.09622	1.4
139.03876	5.9
139.11150	12.1
140.68036	1.2
143.10678	5.3
145.10156	1.0
147.04451	2.2
147.08058	1.2
149.09641	6.7
151.03967	1.0
151.11194	1.0
158.89317	1.0
158.99643	6.4
165.09076	2.5
167.10669	23.8
177.00700	15.1
177.05490	2.1
185.11736	5.1
200.02255	1.1
201.12741	1.0
207.06627	2.2
219.01799	6.1
235.07913	1.0
237.02821	4.2
279.03906	2.5
289.09204	1.5
311.05383	1.0
311.14841	2.9
329.15970	2.2
342.06085	3.0
413.18222	2.1
431.19507	6.9
473.19254	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	473.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.62777	0.7
54.67370	0.5
60.56574	0.4
67.05505	0.7
69.03417	1.1
70.41676	1.9
71.05007	0.5
78.54787	0.5
79.05469	1.2
81.03408	1.1
81.07044	1.3
84.04494	1.0
85.02901	0.7
85.06530	0.8
86.06061	0.9
90.43787	0.6
91.05462	1.1
93.07013	1.9
95.08566	1.0
97.02894	0.7
103.09950	0.5
105.06968	0.8
107.08571	0.8
109.02887	0.5
109.58509	0.6
117.06968	0.6
121.06541	0.7
121.10116	1.6
122.09637	0.5
123.04430	0.7
127.03884	0.8
133.10086	0.6
137.05966	0.6
139.03960	0.6
149.09610	0.6
163.03880	0.7
165.09137	0.6
177.05458	1.3
183.12839	0.5
197.13258	0.5
203.05273	0.9
219.06581	1.0
220.06850	2.2
250.10748	0.8
304.08807	0.5
311.14655	6.6
353.15472	0.8
411.19818	3.8
413.17856	4.3
435.46252	0.7
460.00787	0.6
473.19846	100.0
474.20172	4.6
488.13953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.7
57.07064	4.0
65.03924	3.9
67.05495	28.6
69.07069	19.9
74.48806	2.0
79.05495	13.5
79.81588	2.1
81.07054	47.8
83.04970	3.4
83.08607	9.7
91.05470	20.6
93.07039	33.7
95.05013	3.9
95.08606	95.1
97.06509	3.5
97.10156	5.5
100.93948	2.3
102.28059	2.0
105.07026	43.4
107.08582	60.3
109.06509	3.8
109.10149	53.6
111.08080	11.0
115.49993	2.2
117.07096	2.9
119.08575	76.6
121.10140	47.2
123.08034	3.8
123.11721	26.4
123.24457	2.5
131.08557	11.9
133.10120	70.5
135.08051	2.4
135.11687	38.4
137.09589	2.3
137.13258	6.9
139.11143	2.5
143.08571	5.4
145.10075	14.1
147.11681	44.4
149.09581	3.2
149.13248	18.6
151.11189	8.7
154.00623	2.3
155.08546	3.2
157.10136	6.9
159.11656	16.9
161.13260	26.1
163.11168	3.0
163.14819	23.4
165.12743	3.3
169.10022	3.7
171.11696	3.5
173.13264	10.6
175.14789	27.3
177.16386	19.8
179.03426	4.9
187.14806	17.1
189.16371	75.5
191.17931	32.6
197.13284	2.9
199.14882	4.0
201.16406	17.8
203.17946	100.0
205.15912	4.3
205.19545	7.9
207.17458	7.2
213.16315	2.8
215.17987	7.6
217.15866	2.8
217.19537	15.9
219.17400	3.3
221.19008	5.3
229.19460	5.7
231.21074	10.7
235.17044	6.0
249.18561	7.0
257.22604	4.8
261.18555	4.1
263.20068	11.3
271.24158	2.7
276.65442	2.3
283.09570	5.2
283.24197	3.7
284.18314	2.8
297.25729	2.8
357.27417	2.7
393.35068	12.5
407.33206	4.7
411.36221	22.5
425.34232	13.3
435.32611	3.8
453.32983	4.5
453.38010	3.0
471.39087	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.39185	3.8
52.44039	3.2
53.03933	3.4
55.05507	21.9
57.03411	4.7
57.93524	3.4
61.02273	3.9
67.05508	26.5
69.07062	18.5
70.77948	12.0
71.04984	3.7
76.47100	3.9
79.05471	20.4
81.07047	58.2
83.08608	10.7
91.05462	33.6
93.07033	62.2
95.04972	4.4
95.07990	5.4
95.08598	92.4
95.09187	6.6
97.06507	7.9
97.10173	7.6
103.05477	4.0
105.07021	66.4
107.08587	92.6
109.06462	5.8
109.10159	53.9
111.08037	10.0
117.07025	13.6
119.08575	100.0
121.10130	71.8
123.11696	17.1
125.09620	14.7
131.08551	38.7
133.10112	72.6
135.08055	4.6
135.11699	38.7
139.42322	4.6
143.08505	9.0
144.09338	5.3
145.10118	72.9
146.10548	4.0
147.11662	36.8
149.09584	5.6
149.13248	16.2
157.10156	10.6
158.10794	4.3
159.11691	66.0
161.09599	4.9
161.13234	34.9
163.14836	17.4
167.03394	14.8
171.11668	10.9
173.13275	27.4
175.14810	44.8
177.09082	6.2
177.12720	6.1
177.16341	21.0
179.03419	10.4
183.11671	6.1
185.13315	11.8
187.14815	41.4
189.16371	48.0
191.14285	10.6
191.17949	24.4
193.15866	12.1
197.13242	4.2
199.14844	13.6
201.16360	92.2
203.14226	7.1
203.17905	19.0
205.16048	6.9
207.17430	6.3
211.14780	7.4
213.16383	14.6
215.17998	24.2
219.17424	55.3
229.15779	4.3
229.19473	10.0
231.17427	8.0
235.16890	15.6
247.16948	38.8
255.21112	5.6
261.18506	14.6
281.22672	5.8
327.23267	17.5
329.24185	4.9
389.32068	9.5
407.33200	38.6
423.32736	5.1
425.34116	14.2
435.32742	39.4
453.33765	44.3
471.25333	7.9
471.34503	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	471.3471
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.16697	2.1
53.03931	4.3
55.01865	2.6
55.05508	15.3
57.07063	4.0
62.85789	2.1
67.05499	21.6
69.03418	3.5
69.07062	19.9
69.85236	4.6
69.85647	7.7
70.97725	2.0
71.04954	3.4
75.62824	2.0
78.24229	2.7
79.05489	25.2
81.07059	47.9
83.04969	5.2
83.08601	12.5
83.62195	2.0
91.05476	19.4
93.07043	46.5
95.04961	5.4
95.08602	92.2
96.08928	4.5
97.06519	11.1
97.10153	7.1
99.08109	4.4
105.07027	60.0
107.08588	81.8
109.06512	5.5
109.10152	53.7
111.04462	4.3
111.08078	6.4
113.09666	2.5
115.05476	2.7
117.06995	14.0
119.08578	100.0
121.06495	4.6
121.10145	60.4
122.10535	2.7
123.08062	4.5
123.11713	20.8
125.06031	3.7
125.09630	9.8
129.06955	4.2
131.08557	31.8
133.10126	56.3
135.08116	4.9
135.11690	33.0
137.09637	3.7
137.13293	3.3
143.08533	12.1
144.09288	2.7
145.10115	59.9
147.08000	4.5
147.11682	41.8
149.09602	10.6
149.13263	22.8
151.11147	3.8
153.09081	5.5
155.08464	2.9
156.09305	3.1
157.10127	14.1
158.10966	2.5
159.11678	44.7
159.12904	4.2
161.09599	4.8
161.13249	50.1
163.07663	3.4
163.11195	9.2
163.14804	19.9
165.09081	6.8
165.12669	3.6
167.10669	5.5
169.10124	3.3
170.10831	3.0
171.11676	10.1
172.12401	4.0
173.13237	28.8
175.14841	35.8
177.09061	4.1
177.12770	6.4
177.16345	29.0
179.14262	2.9
185.13234	9.2
187.14813	76.7
188.15190	2.8
189.12692	4.1
189.16380	36.1
191.14297	41.1
191.15959	3.3
191.17909	20.6
192.14700	3.2
193.15924	7.0
197.13216	3.7
199.14861	15.4
201.14609	4.8
201.16385	65.6
202.16685	4.3
203.14276	13.0
203.17955	36.3
205.15880	36.0
205.19453	6.3
211.14839	3.8
213.16344	12.4
215.17911	22.2
217.15843	7.1
217.19472	5.5
219.14038	2.9
219.17412	35.7
221.15320	18.0
225.16385	3.4
227.17992	3.6
229.15887	7.6
229.19511	10.8
231.17531	3.6
233.15205	2.4
233.19038	9.6
235.16995	12.4
237.16237	3.0
245.18991	2.8
247.16902	25.6
249.18520	5.6
253.19659	3.0
255.21175	3.6
261.18497	8.4
275.20129	5.6
281.22614	3.9
293.22568	5.2
295.23886	2.4
311.23718	5.0
313.21451	3.2
327.23218	7.1
329.24640	2.9
349.29102	2.7
386.39279	2.3
389.31866	7.7
395.33136	4.1
407.33139	46.1
423.32352	3.4
425.34058	13.7
435.32663	23.6
453.29092	2.3
453.33746	25.4
454.33859	3.1
471.34717	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.57072	6.1
55.05510	18.3
66.56142	5.6
67.05509	14.6
69.07062	29.3
69.27520	65.4
79.05482	14.3
81.07057	48.6
83.08634	7.9
91.05495	19.5
93.07030	40.6
95.08607	74.8
103.64384	6.2
105.07024	65.8
107.08591	67.8
109.10142	41.8
119.08588	86.8
121.10132	54.3
123.08142	7.3
123.11695	15.8
131.08575	26.9
133.10126	90.6
135.11697	24.1
137.09689	9.2
143.08563	21.1
145.10115	51.6
147.11682	40.6
149.13220	40.8
156.09431	7.6
157.10135	24.0
159.11682	74.5
161.13290	30.0
163.14807	42.1
165.12766	17.0
171.11731	21.8
173.13225	35.4
175.14812	73.2
177.12704	6.2
177.16389	91.0
177.17847	7.2
184.12476	7.6
185.13228	15.5
187.14861	100.0
189.16360	83.0
191.18033	10.7
193.15836	13.9
199.14799	34.1
201.16351	23.1
203.17984	43.2
207.17381	9.4
213.16364	21.8
215.17934	54.8
217.15900	9.9
227.18040	9.2
231.17520	14.3
233.19069	18.2
235.16846	37.4
249.18547	9.1
251.20084	71.1
389.31946	30.5
407.33142	56.4
417.31482	11.4
425.34201	82.7
435.32520	60.4
453.33478	34.1
471.34775	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	471.3466
Annotation	Lantic acid
Peak:m/z	Relative Intensity
54.60817	0.5
55.05502	1.7
57.07065	0.6
63.07620	0.5
64.73592	0.5
67.05508	2.5
69.07078	3.1
70.97812	1.4
74.89082	0.4
78.65020	0.4
79.05477	1.8
81.07061	4.5
83.04970	2.5
83.08594	1.0
85.45293	0.5
91.05482	3.1
93.07028	5.8
95.04966	1.3
95.08603	11.0
97.06514	1.2
97.10129	0.9
105.07025	7.5
107.08589	8.5
109.06530	1.0
109.10170	4.6
111.08067	0.9
117.07018	0.9
119.08573	11.0
119.09385	0.9
121.06458	0.6
121.10146	6.9
123.08063	1.3
123.11728	3.3
125.09627	1.0
131.08566	1.8
133.10136	6.2
135.08057	0.7
135.11694	6.8
137.13257	1.1
139.11194	0.5
141.07047	0.7
143.08549	1.5
145.06410	0.5
145.10127	3.7
147.08063	1.0
147.11688	3.9
149.09636	0.9
149.13225	2.3
153.09135	0.6
155.08501	1.2
157.10127	2.8
159.07997	0.6
159.11674	3.2
161.09613	2.8
161.13283	3.5
163.14825	1.7
169.10117	1.0
171.11697	1.6
173.09523	0.6
173.13261	4.0
175.11209	0.6
175.14809	9.0
176.11456	0.5
177.16400	2.2
183.11708	1.4
185.13242	1.1
187.11182	0.8
187.14787	3.6
189.12674	0.9
189.16383	12.6
189.17937	1.0
191.17903	1.2
197.13277	2.2
199.14813	3.2
201.12619	0.6
201.16399	1.8
203.17923	0.6
205.15768	1.1
207.17491	1.5
211.14827	1.5
213.16376	1.7
215.14357	1.8
215.17967	1.5
217.15878	7.0
219.17456	1.0
227.17947	0.6
229.16098	0.7
229.19499	0.8
231.17419	0.7
235.16965	5.4
239.17801	0.6
241.19510	0.7
243.21080	0.7
245.18967	0.8
253.19571	2.0
257.18933	1.6
267.21179	0.6
271.20596	5.2
273.18378	0.6
285.22232	0.9
317.20969	1.4
367.32416	0.5
389.32083	0.9
407.33090	3.0
425.34134	10.2
426.34509	1.1
435.32648	1.3
453.33804	1.5
471.34705	100.0
472.34930	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	471.3468
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
55.05497	21.2
61.84657	6.3
61.84985	5.6
67.05486	22.0
69.07047	17.7
70.55627	13.9
70.55950	5.5
78.42916	4.7
79.05482	21.7
81.07059	41.5
83.04997	5.1
83.08605	20.6
89.44328	5.6
91.05460	25.0
93.07040	55.9
95.04968	7.2
95.08067	7.5
95.08610	72.3
105.07033	57.9
107.07989	6.5
107.08595	79.6
109.10158	60.3
117.06976	11.1
119.08578	100.0
121.10140	81.2
123.11672	23.9
125.09595	6.8
131.08560	41.1
133.10114	74.1
135.08157	6.1
135.11682	43.9
138.16455	5.4
143.08514	7.8
145.10123	67.6
147.11678	44.6
149.09552	9.4
149.13249	22.1
151.11264	8.6
157.10147	19.9
159.11679	50.7
161.13235	31.1
163.07541	6.3
163.11168	12.0
163.14825	17.9
166.98236	5.2
171.11664	15.2
173.13286	35.1
175.14859	35.6
176.33681	6.2
177.09094	19.1
177.16360	28.4
185.13191	9.4
187.14813	53.7
189.16347	50.8
191.17935	20.2
195.13704	13.6
199.14790	13.6
201.16380	85.9
203.17984	40.1
205.15857	33.7
207.17487	6.1
213.16429	15.7
215.17921	16.5
219.17395	23.7
223.16902	13.0
227.17995	9.4
229.15915	9.4
229.19568	17.7
231.17401	5.5
235.16893	20.3
237.18552	9.2
238.30394	7.8
241.19476	15.8
243.20999	12.1
243.86667	5.9
247.16904	66.4
248.62151	6.0
255.21150	11.9
277.21683	8.9
287.20221	9.1
289.21606	7.9
301.21494	14.6
311.23712	13.6
389.32016	10.0
403.76947	5.6
407.33209	42.6
425.34116	46.0
435.32318	32.0
453.33554	20.5
471.34717	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	471.3469
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03930	6.1
55.05502	17.9
57.07066	8.2
67.05503	25.5
69.07063	24.8
70.12794	5.2
70.37263	17.6
73.02969	4.3
79.05502	33.0
81.07053	58.6
83.08619	16.6
90.64416	4.5
91.05485	24.7
93.07039	55.5
95.04974	10.7
95.08607	85.5
97.02930	5.2
97.06536	4.7
97.10165	8.1
105.07023	62.0
107.08597	80.0
109.06472	4.9
109.10146	54.6
111.08068	7.5
117.07017	17.3
119.08577	100.0
121.10142	66.3
123.08054	7.9
123.11700	22.3
128.89088	4.5
129.07022	8.3
131.08571	37.2
133.10129	73.2
135.08018	7.9
135.11694	37.0
143.08566	19.3
145.10123	67.6
147.11687	45.8
149.09575	10.4
149.13232	27.7
151.11189	9.7
153.09059	6.3
157.10126	19.9
159.08032	5.4
159.11682	56.5
161.13252	33.8
163.11162	8.3
163.14810	14.1
165.12834	6.4
170.10963	5.9
171.11714	19.1
173.13179	31.3
175.14784	32.2
177.09090	15.0
177.12759	12.2
177.16362	18.4
185.13220	12.0
187.14780	39.0
189.16429	35.2
191.17990	20.1
199.14787	11.3
201.16389	95.2
203.17967	28.7
203.19592	4.6
205.15918	35.0
213.16426	16.5
215.17964	17.6
217.15839	6.5
219.17465	17.3
223.16910	8.0
227.17944	8.2
229.15894	11.2
229.19550	19.4
231.17557	6.6
233.15311	5.3
235.16901	14.5
237.18477	5.6
241.19417	10.9
243.21140	9.4
245.97369	5.1
247.16948	51.0
249.18619	5.3
255.21034	11.8
261.18475	5.1
267.08890	10.2
275.20169	5.6
277.21613	7.4
285.10065	20.6
301.21548	6.2
311.23611	10.2
324.11496	11.7
329.24628	9.0
344.29218	4.7
345.74728	5.8
388.97763	4.9
389.31729	7.0
407.33240	37.6
425.34143	44.9
435.32510	19.3
453.33499	15.4
471.35034	42.0
488.50784	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	471.3471
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03947	3.9
54.79708	2.2
55.01859	4.0
55.05505	20.2
55.30460	2.3
57.03446	4.5
57.07083	7.8
57.68819	2.1
65.03942	2.9
67.05501	32.2
69.03432	5.8
69.07067	27.4
70.65658	3.7
70.66016	6.2
71.04999	3.9
79.05494	29.4
81.07054	62.4
83.05004	11.3
83.08596	12.3
83.65526	2.3
85.02911	4.6
85.06555	5.2
91.05482	32.2
93.07041	48.5
95.04973	5.5
95.08605	79.8
96.08965	2.9
97.06516	12.5
97.10195	7.0
103.05474	2.8
105.07030	67.4
105.07696	3.5
107.04978	3.8
107.08593	79.5
109.06544	10.5
109.10148	51.2
109.10828	2.6
111.04513	2.9
111.08093	12.6
115.05480	3.3
117.07019	14.6
119.08578	86.9
121.06548	5.5
121.10140	64.5
123.08110	7.7
123.11726	24.5
125.06004	3.0
125.09607	3.7
129.07053	8.6
130.07861	2.7
131.08562	35.9
131.09387	2.9
133.10120	72.2
135.08090	11.3
135.11676	44.5
136.12135	3.0
136.34239	2.4
137.09645	6.9
137.13263	11.9
139.11235	4.0
142.07759	5.4
143.08548	22.6
144.09372	4.3
145.10118	51.2
146.72305	2.3
147.08072	6.8
147.11674	57.2
149.09674	8.1
149.13235	24.2
151.11212	4.3
153.09114	3.3
155.05974	2.8
155.08604	6.3
156.09410	3.9
157.10133	25.3
158.10948	2.8
159.08191	4.2
159.11690	48.9
159.12863	3.1
160.12265	3.5
161.09721	6.6
161.13261	34.5
162.13634	2.6
163.11240	7.1
163.14836	20.3
165.09184	8.8
165.12756	3.3
169.10167	9.1
170.11000	5.2
171.11682	20.6
171.28668	2.5
172.12498	4.2
173.09717	4.4
173.13275	31.6
173.14537	2.9
175.11166	12.2
175.14818	26.5
177.12822	4.2
177.16386	20.3
179.14400	5.7
181.10146	5.4
183.11813	11.7
184.12508	3.3
185.13272	19.3
186.13846	2.6
187.11243	3.2
187.14804	34.4
187.16190	3.0
188.15315	3.3
189.12825	9.4
189.16379	68.3
191.10670	3.7
191.14403	7.5
191.17979	20.0
193.10190	2.8
193.12238	2.9
195.11789	5.6
197.13232	13.9
199.11389	4.1
199.14807	29.4
199.16354	2.5
201.12842	5.1
201.16393	35.5
203.14398	7.0
203.17963	30.7
205.15932	13.8
207.11807	2.5
207.13867	5.8
207.17384	12.8
209.13214	5.8
211.11436	3.2
211.14932	9.1
213.12836	3.3
213.16347	12.4
215.14403	5.7
215.18042	11.4
217.16028	8.6
217.19554	7.8
219.17548	10.7
221.15457	3.6
223.14807	4.0
225.16510	6.7
227.14412	3.4
227.18092	6.9
229.15897	3.7
229.19550	3.0
231.17595	9.1
233.15477	3.5
233.19006	3.5
235.17026	8.8
237.16719	2.9
239.18036	4.2
241.16032	3.7
241.19528	3.9
245.15535	4.6
245.19026	4.2
247.16949	4.5
249.15016	8.7
249.18721	4.0
255.17479	3.0
255.21156	3.2
265.19592	3.6
267.21237	4.0
273.22461	3.0
281.19427	2.9
281.22778	3.5
285.22308	8.1
389.32147	7.4
395.29523	2.8
407.33212	21.0
417.31744	9.3
425.34192	12.7
435.32635	35.7
453.33847	47.8
471.34930	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	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05510	10.8
55.06198	2.0
57.07069	2.5
59.34022	2.1
67.05502	25.0
69.07066	20.1
79.05487	13.9
80.70520	2.4
81.07053	70.4
83.08604	8.0
91.05456	16.4
93.07037	41.7
95.04945	4.7
95.07986	4.2
95.08603	87.4
97.06554	12.2
97.10158	7.4
98.21460	5.9
105.07026	68.6
107.07888	4.4
107.08591	66.1
109.06504	4.4
109.10160	42.8
109.31280	2.6
111.08082	4.9
113.05981	4.2
117.07009	5.8
119.08580	64.6
121.06493	3.6
121.10140	61.7
123.08039	14.9
123.11698	13.0
125.09627	8.5
131.08546	13.9
133.10112	45.0
135.08052	7.2
135.11673	19.7
137.09637	5.1
143.08565	6.7
145.10112	28.8
147.11662	40.9
149.13268	24.6
153.09064	3.8
157.10141	12.1
159.11702	20.1
161.09630	5.2
161.13252	29.7
163.11168	3.6
163.14798	16.0
171.11629	5.2
173.13220	18.0
175.11237	12.7
175.14821	100.0
177.14836	3.9
177.16393	79.5
179.17982	3.0
185.13243	6.9
187.14850	19.3
189.16379	47.1
191.17961	8.7
193.15894	3.1
197.13234	3.2
199.14818	7.9
200.15146	2.2
201.16351	17.0
203.14252	15.9
203.18002	7.9
205.15889	5.4
207.17419	61.2
213.16335	5.3
215.14301	2.3
215.17950	13.4
217.15834	11.2
219.17488	8.0
221.15352	44.4
221.17348	3.3
222.15761	3.0
231.17433	2.7
233.15100	2.9
233.19020	10.1
235.16946	30.6
237.18559	3.2
245.15456	3.7
247.16895	4.1
299.23624	3.0
300.90079	2.2
329.24686	4.8
343.22723	5.9
343.26459	3.8
357.24207	4.4
361.23706	9.8
362.97870	2.7
375.25256	7.6
389.31992	3.7
407.33170	17.8
425.34256	20.1
435.32611	18.4
453.33667	61.4
454.33936	4.2
471.27972	4.5
471.34686	88.2
472.35089	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	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05508	6.2
57.07066	1.6
65.03927	1.3
67.05511	9.5
67.65727	1.1
69.07069	11.8
70.03316	5.2
79.05487	6.8
80.29066	1.0
81.07054	23.5
83.08615	4.9
91.05478	7.8
93.07043	16.4
95.04945	3.0
95.07994	1.9
95.08598	34.7
97.10174	2.4
98.20805	1.3
105.07030	23.5
107.08585	28.0
109.06504	3.9
109.10149	19.5
109.10847	1.6
117.06992	3.2
119.08581	38.0
121.10139	24.1
123.08047	5.0
123.11689	6.9
125.09635	1.6
128.12381	1.0
129.00888	1.1
131.08560	12.5
133.10129	24.4
135.08057	1.5
135.11670	13.8
137.09563	1.1
143.08545	4.1
145.10117	24.4
145.11165	1.8
147.11681	14.6
148.97948	1.4
149.13303	7.1
153.09103	1.3
157.10135	6.0
159.08086	1.5
159.11681	16.7
159.12901	1.5
161.13263	11.1
163.07544	2.2
163.11197	3.5
163.14812	8.0
171.11714	5.0
172.12428	1.4
173.13261	24.9
175.14821	60.3
177.12825	2.2
177.16368	10.5
179.14171	1.5
185.13185	5.3
187.14795	14.7
189.16365	18.1
191.14359	1.6
191.17944	7.3
191.68149	1.1
197.13335	1.7
199.14767	6.5
201.12686	1.7
201.16377	31.6
203.14355	4.1
203.17935	7.3
205.15865	24.6
207.17448	7.0
213.16359	4.6
215.14354	3.1
215.17969	8.3
217.15892	1.9
217.19548	1.7
219.13895	2.0
219.17444	25.6
221.15456	2.8
223.16833	1.4
227.18022	2.9
229.15901	1.6
229.19530	3.1
233.15421	1.6
233.19067	1.8
235.16840	1.8
237.14769	1.9
239.17920	1.4
241.19577	1.9
243.21104	2.7
245.15405	1.8
245.18962	1.2
247.16936	3.7
255.21089	4.3
257.22745	1.7
269.22696	2.5
281.22586	1.2
300.77737	1.1
301.21701	2.8
303.23273	1.7
329.24704	2.0
361.23712	1.4
375.25952	1.3
389.31903	2.8
407.33084	21.4
425.34128	35.6
426.34512	1.5
435.32666	7.1
453.33633	8.7
471.34708	100.0
472.35123	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	471.3469
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.56836	1.6
53.26154	1.4
55.05509	8.7
57.07060	4.7
60.22681	1.5
67.05505	8.6
69.07067	14.2
70.72471	5.4
79.05485	7.4
81.07050	33.9
83.08597	6.4
85.06544	2.6
86.03686	1.5
91.05470	12.4
93.07039	25.8
95.04951	2.5
95.08596	36.8
97.06526	3.8
97.10150	3.1
104.60884	1.6
105.07024	36.8
107.08583	42.3
109.06527	2.9
109.10152	22.4
111.08090	1.8
111.99912	1.8
113.19035	1.6
117.06982	5.3
117.22202	1.5
119.08575	85.9
121.09318	3.4
121.10133	32.6
123.08083	5.6
123.11725	9.8
125.09595	4.7
129.07005	1.8
131.08534	11.6
133.10120	56.4
133.11113	3.2
135.11696	22.8
137.13272	1.8
139.07486	1.8
142.07758	2.2
143.08540	4.6
145.10107	19.8
147.11678	31.9
148.11848	1.7
149.09641	3.4
149.13258	12.7
153.09067	3.4
157.10112	6.5
158.10870	1.9
159.07971	1.7
159.11681	14.3
160.12570	2.4
161.09627	2.1
161.13287	14.6
163.11150	2.9
163.14813	14.2
165.12682	2.3
167.10706	2.6
169.10072	2.1
171.11658	4.7
173.13220	10.8
175.14816	100.0
176.15173	2.1
177.09158	2.2
177.16389	13.9
179.14267	4.1
183.11772	2.2
185.13306	6.5
187.14798	26.7
189.16373	97.3
190.16710	2.7
191.14325	2.5
191.18031	3.8
193.15805	8.3
199.14835	6.8
201.16347	18.9
203.14320	18.5
203.17953	18.5
205.15894	19.9
207.17433	29.4
211.14890	2.4
213.16322	4.2
215.17950	6.9
217.15872	4.2
219.17458	7.1
221.15390	20.7
223.16948	4.1
227.17996	3.7
229.15942	2.9
229.19595	3.1
231.17480	4.6
233.15598	1.9
233.19136	2.8
235.17023	5.5
237.18532	2.4
241.19511	4.0
247.16971	5.9
249.14862	23.7
249.18498	3.4
262.15732	2.0
267.20911	2.5
389.31927	4.1
407.33170	9.8
425.34106	47.3
426.34537	3.1
435.32605	8.5
453.33896	16.1
455.87854	1.5
471.34717	69.6
472.35120	2.6
480.81924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05500	4.2
57.07069	1.5
62.41459	1.4
63.00113	1.3
67.05499	8.1
69.07076	9.6
79.05474	6.3
81.06602	1.7
81.07056	23.1
83.08603	3.5
91.05472	10.1
93.07040	19.5
93.91685	1.4
95.08612	33.4
99.67001	1.5
105.07026	23.7
107.08591	24.8
109.06512	3.3
109.10157	15.9
111.08070	6.7
117.07032	4.0
118.14310	1.5
119.08580	33.4
121.10154	19.8
123.08033	4.9
123.11687	7.3
131.08617	8.2
133.10123	21.3
135.08099	2.3
135.11705	9.6
139.11221	1.9
143.08571	4.1
145.10133	13.9
147.11678	21.2
149.09688	1.7
149.13258	17.7
153.09125	2.5
157.10135	3.8
159.11700	7.5
161.09625	2.7
161.13203	7.3
163.11131	1.7
163.14825	8.1
165.12712	2.7
171.11749	3.8
173.13280	4.7
175.14827	61.6
177.16382	16.3
179.03331	1.8
185.13234	5.6
187.14772	12.3
189.16377	19.9
193.15923	3.5
197.13310	1.6
201.16391	15.9
203.14313	28.4
203.17979	5.0
205.15884	27.3
207.17462	7.4
213.16341	3.3
215.17857	1.7
217.15955	1.7
219.17392	6.3
221.15402	11.4
221.18942	2.1
223.16893	6.0
227.17894	2.9
229.15782	1.9
229.19406	1.8
231.17398	4.2
241.19362	2.2
243.21060	2.1
247.16986	4.4
249.14882	15.4
249.18411	5.4
253.19469	2.7
255.21097	4.4
273.22101	3.1
329.24969	1.9
349.29108	1.8
355.26254	2.5
389.32019	1.8
407.33090	12.9
423.32263	2.9
425.34131	100.0
426.34430	5.6
435.32431	6.8
441.33725	2.1
453.33609	15.4
471.34763	38.2
472.35126	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	471.3466
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.10938	3.2
55.05505	13.6
57.02619	3.0
57.07055	3.6
67.05497	22.0
68.26742	3.5
69.03426	3.9
69.07070	21.3
69.92641	5.4
69.93055	13.8
70.80742	2.6
72.75597	2.6
72.86477	2.9
79.05485	14.5
81.07058	34.6
83.04976	4.9
83.08599	7.6
91.05478	24.8
93.07032	30.3
95.08598	70.9
97.06547	4.3
97.10184	6.7
105.07029	48.2
107.08587	59.9
109.10141	34.9
111.08076	5.7
117.07040	4.6
119.08580	84.7
121.06508	4.5
121.10151	46.1
123.11706	11.4
128.06212	3.5
129.06967	5.4
130.36517	3.5
131.08565	17.2
133.10106	60.6
135.08041	11.1
135.11690	26.5
143.08592	10.5
145.10123	38.1
147.07950	3.1
147.11662	35.3
149.09660	7.4
149.13251	17.6
153.09113	3.8
155.08575	5.7
156.09401	3.3
157.10107	19.7
158.10854	5.9
159.11685	40.4
161.13261	23.9
163.11186	6.7
163.14761	22.2
169.10178	5.2
170.10959	4.1
171.11609	18.1
172.12537	3.2
173.13246	26.5
175.11191	7.7
175.14795	31.3
177.12767	3.7
177.16396	33.9
179.14296	4.5
183.11681	5.1
184.12471	9.3
185.13246	12.7
187.14796	39.0
189.12764	4.6
189.16364	100.0
191.14391	5.2
191.17917	19.3
197.13188	3.7
199.14821	42.8
201.16359	53.1
203.14346	5.3
203.17947	42.0
205.15924	14.9
207.17448	9.1
211.14767	5.7
213.16322	16.8
215.14299	6.1
215.17944	12.0
217.15848	18.4
219.17401	25.7
221.15384	4.1
227.17955	4.2
229.15849	5.5
231.17477	13.1
235.16878	31.4
241.19246	3.9
249.18494	9.4
314.38449	3.2
389.32007	12.6
407.33060	39.2
425.34009	29.2
435.32593	51.6
453.33875	24.8
471.34995	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Julibrotriterpenoidal lactone A
Peak:m/z	Relative Intensity
53.03937	1.7
55.01868	1.8
55.03519	1.2
55.05510	15.7
57.03431	1.9
57.07084	6.3
65.03917	2.8
67.05504	23.1
69.03424	5.1
69.07063	18.4
71.04992	3.8
71.08611	1.5
71.51357	1.3
72.28925	1.3
78.32517	1.2
79.05488	22.0
81.07053	57.2
83.04987	8.5
83.08612	8.4
85.02872	1.4
85.06557	4.0
87.04463	2.9
91.05485	21.7
93.07043	39.0
95.04974	5.7
95.08607	70.8
96.08923	1.6
97.06534	6.7
97.10170	7.4
99.04440	3.9
99.08083	2.0
103.05491	2.6
103.88349	1.6
105.06322	2.5
105.07028	45.9
107.08591	56.6
109.06525	6.0
109.10149	34.9
109.10854	2.6
111.08088	6.8
111.11702	2.4
113.06014	1.3
115.05419	1.5
117.07006	8.7
119.08585	51.6
121.06512	4.2
121.10146	39.6
123.08071	5.5
123.11707	26.1
125.06004	4.0
125.09608	2.9
127.11136	1.5
128.06239	2.8
129.07002	5.3
130.07770	3.6
131.04932	1.7
131.08563	25.0
133.10129	41.1
133.28474	1.3
135.08066	13.8
135.11687	29.7
137.06001	2.6
137.09622	4.8
137.13249	22.4
139.11191	4.0
142.07797	3.2
143.06995	2.9
143.08562	16.4
144.09372	1.8
144.50713	1.3
145.08907	1.8
145.10121	39.2
146.10527	1.4
147.08037	3.3
147.11685	41.5
149.09622	8.0
149.13249	18.2
151.11092	2.3
151.14871	1.7
155.08574	7.3
156.09369	4.4
157.10133	22.5
158.10851	1.8
159.08095	1.6
159.11693	28.1
161.09587	8.4
161.13255	19.6
163.11212	5.0
163.14836	8.8
165.07033	2.1
165.09123	7.6
165.12804	2.5
168.09332	2.4
169.10165	9.7
170.10898	1.3
171.11691	19.4
171.13031	2.4
173.09656	3.8
173.13257	18.8
175.11220	8.4
175.14775	12.3
177.16353	8.6
179.14328	7.0
181.10130	3.2
182.10944	2.2
183.11740	13.1
185.13246	13.7
187.11247	4.5
187.14839	18.9
189.09142	1.4
189.12729	10.9
189.16382	14.9
191.14317	4.0
191.17906	11.6
195.11748	4.0
196.12392	1.3
197.13242	8.9
199.11230	2.8
199.14841	14.2
201.12822	7.0
201.16406	15.0
203.14294	4.1
203.17979	12.2
205.15875	8.0
206.10864	1.5
207.11876	1.6
207.13843	3.6
207.17404	6.7
209.13304	4.2
211.14816	7.6
213.12737	3.1
213.16374	8.4
215.14323	4.7
215.17982	6.2
217.15948	4.0
217.19476	8.9
219.17418	4.5
221.13394	2.0
223.14864	4.7
225.16397	4.9
227.14354	3.1
227.17969	5.8
229.15982	3.0
229.19580	4.0
231.13869	2.9
231.17567	1.6
233.15416	4.4
235.17024	1.7
237.14571	1.6
237.16629	2.8
238.82753	1.3
239.18011	4.3
241.19624	3.5
243.17586	2.0
245.19031	1.6
247.17116	1.8
249.14780	17.0
251.18198	2.0
253.19591	4.2
255.17441	1.8
255.21141	3.5
259.17059	1.9
265.19507	2.0
266.10675	1.4
267.21027	2.6
271.14026	1.5
271.16916	1.7
273.18890	1.4
277.18155	1.5
281.19067	1.9
285.19260	2.1
285.22037	9.4
297.12100	2.2
303.19791	1.6
305.24802	3.0
310.10760	7.3
317.21069	5.6
331.22699	2.8
343.22733	1.9
347.22253	2.7
349.29034	1.7
367.29889	1.8
389.27603	1.4
389.32239	3.0
405.31665	1.5
407.33246	3.4
417.31494	4.4
423.32733	3.3
425.34274	3.7
435.32428	9.0
441.33615	2.0
453.33698	43.7
454.34073	2.4
471.34753	100.0
471.62216	1.5
472.35062	5.4
489.96628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.66705	1.5
54.68612	1.4
55.05510	5.0
57.84883	1.3
67.05492	7.2
69.07072	8.9
70.96468	2.4
70.96799	2.5
79.05485	6.3
81.07053	23.2
83.08601	4.8
89.40523	1.8
91.05476	5.5
92.61465	1.7
93.07040	19.2
95.08604	32.0
97.10145	2.4
105.07035	24.9
107.08590	26.4
109.06499	3.7
109.10151	10.1
111.08083	7.6
117.07053	3.1
119.08575	32.3
121.06528	1.9
121.10160	19.5
123.08051	7.2
123.11704	6.4
131.08571	8.7
133.10114	21.2
135.08008	2.9
135.11700	8.9
139.07486	1.9
143.08563	3.4
145.10104	11.8
147.11684	24.3
149.13249	14.8
157.10120	5.4
159.11697	10.7
161.09668	2.0
161.13257	10.5
163.14784	6.6
171.11681	4.0
173.13268	7.7
175.14818	47.8
175.16322	3.0
176.15215	2.0
177.16373	15.1
178.91830	1.5
185.13304	3.5
187.14813	15.0
189.16368	13.7
193.15913	2.5
199.14783	4.6
201.16367	18.5
203.14297	20.8
203.17967	5.2
205.15871	30.7
205.19041	1.5
207.17462	2.3
210.51823	1.5
211.15036	1.7
213.16417	5.0
215.17940	3.1
217.15965	1.9
219.17450	8.1
221.15375	8.5
223.17050	5.1
227.17828	3.9
231.17503	4.2
241.19685	1.8
243.21289	1.7
247.16919	4.5
249.14783	11.7
249.18532	3.7
253.19507	2.6
255.21121	3.2
269.19086	1.8
269.22614	2.8
329.24762	4.0
355.26163	2.2
407.33075	10.5
425.34140	100.0
426.34360	7.4
435.32520	4.3
453.33725	13.5
471.34805	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	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.01173	3.6
55.01865	6.3
55.05513	19.4
57.07065	6.6
59.72561	3.9
62.93524	3.6
67.05503	36.6
69.03419	4.3
69.07072	30.4
69.93088	3.4
71.05001	3.9
71.38610	3.2
71.52885	6.0
74.86966	3.6
79.05486	23.7
81.07049	62.5
83.08600	14.9
85.76145	3.5
86.03618	3.8
89.69643	4.6
91.05479	25.3
93.07041	55.8
95.04966	7.0
95.08601	100.0
97.06500	5.4
97.10151	8.4
105.07034	59.3
107.08585	65.9
109.06521	12.5
109.10143	51.0
110.68629	3.4
111.08068	5.2
111.16462	3.4
117.07006	11.5
119.08570	96.3
121.06518	5.5
121.10131	60.7
123.08049	9.4
123.11699	17.0
129.06998	8.2
131.04927	8.6
131.08530	27.6
133.06512	4.7
133.10115	72.0
135.08072	7.2
135.11688	26.0
137.09593	5.1
139.11139	4.4
143.08527	17.2
145.10098	46.8
147.11678	51.5
149.09642	8.5
149.13281	30.7
151.07431	4.8
151.11092	6.1
155.08470	6.2
157.10121	15.7
159.11668	38.9
161.13229	44.6
163.11160	7.1
163.14806	30.6
169.04987	5.8
171.11682	16.5
172.12378	3.8
173.13220	19.8
175.11229	7.6
175.14809	32.9
177.12712	7.0
177.16373	68.8
179.03380	88.3
179.14339	4.6
181.05052	4.1
183.11864	4.0
185.13281	8.1
187.14799	48.1
189.16368	73.3
191.14262	6.5
191.17937	22.7
197.04489	24.8
197.13310	6.2
199.14868	12.6
201.16347	31.7
203.14322	4.5
203.17957	65.1
205.15854	21.5
205.19524	6.6
207.17424	8.1
211.14735	4.4
213.16399	10.5
215.17853	16.1
217.15863	11.8
217.19472	4.4
219.17455	9.4
221.15381	9.4
227.17876	9.1
229.19531	9.3
231.17464	10.2
231.21150	7.5
233.15414	5.0
233.19011	6.5
235.16934	11.0
241.19511	7.0
247.16942	10.7
249.18451	13.4
251.20050	6.8
283.09579	30.5
283.20169	4.4
285.22040	4.7
333.95349	4.1
336.46533	4.6
374.93259	4.6
379.33627	8.0
389.31964	13.5
397.34558	15.2
407.33163	46.2
425.34149	70.8
426.34702	6.7
435.32681	24.9
453.33633	42.2
454.34381	8.1
471.25067	13.0
471.34857	50.4
490.22144	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	471.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01914	0.4
53.03949	0.5
55.01851	1.9
55.05506	0.8
57.03421	0.7
65.03935	0.5
67.05487	0.6
68.99767	0.4
69.03416	1.3
70.06606	0.5
71.04971	1.1
71.50287	0.5
78.57073	0.5
79.05474	0.7
81.07039	1.3
83.01332	1.3
85.02915	4.4
86.03242	0.5
91.05484	0.5
93.07014	0.9
95.04961	0.8
97.02879	1.3
107.08518	0.8
109.02860	1.2
110.06011	0.6
111.04447	2.2
111.08070	1.5
112.07656	0.6
112.08372	1.1
113.09622	0.8
117.07043	2.2
119.04988	0.9
123.04434	8.3
124.04738	0.4
124.07642	0.6
127.03931	1.3
129.09125	3.5
130.09439	1.6
132.08051	0.8
135.04382	0.9
137.02385	1.8
138.05482	0.6
139.00247	0.7
139.03908	10.7
140.04088	0.5
141.01833	0.5
141.12741	0.7
143.07306	1.1
144.08081	100.0
145.04898	0.8
145.06508	0.6
145.08441	1.4
146.06026	1.0
147.04413	3.7
149.06049	0.6
151.03821	0.6
153.01852	3.2
153.05457	1.0
153.12773	0.5
157.01344	0.5
160.07552	1.0
161.06042	0.8
161.10745	15.8
162.11079	0.8
163.03854	2.3
165.05583	2.2
165.14647	0.5
169.01329	0.9
169.04997	0.5
177.05493	0.6
181.04929	2.9
185.00797	1.2
189.05560	0.6
191.03355	2.4
191.07164	0.6
195.06572	1.0
197.00743	0.6
203.03455	0.6
207.06526	1.1
229.09743	1.0
231.03235	0.5
237.10196	0.6
238.10951	0.6
243.06555	0.6
257.00845	0.6
265.09760	0.8
267.02924	0.9
269.09402	0.5
270.05075	0.7
271.06000	1.6
274.13751	0.6
275.01929	0.7
279.03162	0.6
281.04419	0.7
283.10660	2.8
287.01923	1.6
291.08643	2.6
291.14166	0.6
297.03806	0.7
301.07080	1.1
302.00558	1.2
303.01266	0.8
305.00641	0.8
309.14426	0.6
323.01730	0.7
325.07291	0.5
343.08173	0.7
353.03024	0.9
365.02536	0.5
369.02502	0.9
381.02515	1.4
383.03955	0.9
397.02148	0.5
407.00189	2.3
409.01862	0.7
411.10898	0.6
425.01398	0.7
427.02817	2.2
434.99847	1.8
453.00873	5.3
453.12906	4.8
454.00958	0.7
471.02017	5.5
471.14011	3.1
472.02344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
57.03437	0.4
59.04993	0.5
67.05494	1.3
69.03417	1.8
69.07063	1.5
69.81341	0.4
71.04962	0.6
71.51297	0.6
79.05490	1.3
81.03401	1.5
81.07050	5.1
83.04964	0.9
85.02910	1.3
91.05479	1.9
91.63148	0.4
93.07039	3.1
95.04984	0.8
95.08602	3.4
97.02895	1.0
97.06509	0.8
97.10175	1.1
99.04416	0.7
99.08068	0.6
105.07034	1.9
107.04944	0.6
107.08584	3.0
108.18739	0.4
109.02888	0.9
109.06509	1.2
109.10152	2.2
111.08099	0.7
117.07045	0.6
119.08597	2.1
121.06523	0.9
121.10146	2.8
123.04440	0.5
123.08048	1.2
123.11716	1.8
125.05984	0.5
125.09637	0.7
127.03921	1.1
129.06998	0.4
131.04918	0.7
131.08559	1.0
133.10132	1.0
135.08044	0.5
135.11699	1.2
137.05981	1.5
137.09605	1.0
139.03886	0.8
139.11201	0.7
143.10651	0.8
144.04770	0.8
145.10120	1.3
147.08072	1.1
147.11758	0.8
149.09622	1.0
149.13249	0.5
151.07547	0.5
157.12250	0.5
159.11760	0.6
161.13293	0.7
163.07521	0.8
163.11172	0.5
167.10684	1.0
173.13271	0.9
175.14774	0.5
177.05444	0.7
183.11731	0.5
185.09612	0.5
191.14494	0.7
197.05910	0.8
251.06944	0.7
275.07199	1.0
291.19626	0.7
309.07632	1.5
335.09454	31.2
336.09921	0.7
471.21985	100.0
472.22348	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01870	2.5
56.96556	5.0
57.03440	4.7
58.44049	1.2
58.70130	1.3
58.74089	1.3
59.67361	1.3
61.02930	9.1
61.32883	1.3
69.03430	19.7
71.01377	1.5
71.50546	2.7
73.02901	4.9
81.03413	7.1
83.04979	1.5
84.08157	1.5
84.96029	1.5
85.02904	37.2
86.06069	2.5
87.04473	5.2
91.03980	2.2
91.27682	1.2
97.02894	16.5
98.97581	8.5
99.04478	4.6
103.68655	1.4
107.04971	2.0
109.02898	3.9
114.48598	1.3
116.98602	3.5
117.07024	1.7
117.28957	1.2
119.01925	4.8
119.04854	1.3
123.04442	1.4
127.03903	7.7
128.98590	2.8
129.07008	1.6
131.01895	2.3
131.43446	1.5
132.08170	1.6
133.03497	2.5
134.06001	1.5
139.03920	1.9
145.04973	4.4
145.06476	3.3
146.06009	7.8
148.07593	1.9
153.01830	2.8
156.07977	3.0
159.06793	9.3
160.07574	44.2
161.01151	1.4
161.02931	5.9
163.03961	3.1
165.05452	1.8
170.06081	1.4
171.05051	1.6
171.06808	1.5
172.07567	24.7
173.08379	3.7
174.09145	47.2
176.07126	2.6
177.00674	2.4
177.04315	1.8
179.07053	1.3
181.05003	2.0
182.53693	1.3
183.06815	3.0
184.07585	18.0
186.09154	4.5
189.05960	1.4
189.10231	1.7
196.07614	4.3
198.09221	5.4
200.07071	11.8
200.10831	2.2
201.07767	1.5
201.10260	3.2
202.08627	100.0
203.04051	2.1
210.09193	3.5
214.08658	2.9
215.07674	3.3
216.10013	1.5
219.01624	3.2
219.11295	20.2
221.05130	2.9
223.02791	1.7
223.04750	2.1
226.08601	9.6
228.10184	4.6
237.02831	3.6
238.08806	2.7
244.09680	6.6
246.11203	2.7
255.07111	1.4
256.09720	6.4
262.10715	7.4
273.12497	2.5
274.10757	5.0
277.03497	2.3
279.03928	1.5
280.11887	5.1
291.13382	1.6
292.11795	43.2
303.01443	4.4
304.01501	1.8
305.11005	3.9
309.08481	1.8
309.14407	13.6
322.12985	3.2
323.12073	1.9
327.09265	1.8
339.15598	3.0
379.01340	2.0
418.14532	1.5
424.16089	7.9
435.17514	2.3
436.16068	2.0
442.17130	4.7
453.01431	1.4
453.18936	2.2
454.17075	36.8
471.13306	2.8
471.19812	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.5
53.03934	0.5
55.01873	18.4
55.05496	0.7
57.03426	0.8
67.05499	1.0
68.99779	2.5
69.03425	1.9
69.07067	0.6
70.06594	1.5
71.04976	0.7
71.50280	0.6
75.31789	0.5
79.05490	1.0
81.03406	1.0
81.04526	1.6
81.07049	2.1
83.01343	18.4
83.04990	0.8
85.02907	2.7
85.06528	0.6
91.05486	1.9
91.41499	0.4
93.03408	0.6
93.07037	1.6
95.01309	0.9
95.08597	0.8
97.02891	2.2
99.04494	0.6
100.11236	1.2
101.02382	1.2
105.06992	0.7
109.02888	1.2
111.00807	6.1
111.04420	0.9
111.05579	0.8
112.07634	0.6
119.04945	0.8
119.08582	1.0
121.10143	0.9
123.00816	0.9
123.04453	2.0
123.08065	0.6
123.11654	0.7
125.07136	1.8
127.03902	1.4
129.09102	0.6
129.82002	0.5
133.10101	0.8
137.02420	0.6
137.05966	0.7
137.09633	0.6
138.75600	0.4
139.00259	16.7
139.01343	0.8
139.03905	2.5
140.01016	0.9
140.07025	0.9
143.07069	0.7
143.08134	5.5
145.04916	0.5
147.04410	1.7
149.09625	0.8
151.03975	0.6
153.01814	6.0
154.02274	0.5
157.01305	8.3
157.06096	1.2
160.07605	0.6
161.02345	0.9
163.03856	0.7
164.10622	0.7
165.05533	0.7
166.99808	0.6
169.01237	1.2
173.02336	0.9
174.03133	1.0
175.04002	0.5
177.05515	1.3
179.35629	0.5
181.04924	1.5
183.04335	0.5
185.00821	15.4
186.01604	2.3
189.01846	1.3
190.02602	1.3
195.04356	0.6
201.01761	1.2
202.02588	0.7
211.03912	0.7
215.03345	0.7
217.01344	1.8
218.02147	1.7
223.03979	0.9
229.01282	0.7
229.04950	0.6
230.02118	1.5
231.02940	2.1
239.03375	1.9
241.01405	1.5
243.03029	0.6
245.00845	0.9
246.01675	4.2
251.03473	0.9
257.00772	4.7
257.04431	0.5
258.01767	0.6
259.02451	2.0
265.01318	0.7
267.02914	4.4
269.00958	1.4
273.00293	3.5
279.02957	1.3
283.02124	0.5
285.00323	1.9
285.03760	0.6
286.01083	5.3
286.04175	0.7
287.01846	17.9
288.02231	0.7
291.13724	0.6
291.88153	0.6
295.02396	3.1
300.99832	5.1
302.00540	15.6
303.01236	4.2
305.00778	8.3
307.02423	2.0
307.05676	0.5
309.07574	0.8
309.14478	1.0
312.99808	5.1
313.03403	1.8
323.01825	8.7
324.02670	0.6
325.03604	0.6
328.99191	2.8
331.00839	1.7
333.00153	1.2
335.01831	0.6
339.01303	0.9
341.02972	1.8
351.01318	2.8
360.99643	1.3
363.01303	3.0
369.02393	1.7
379.00778	11.6
381.02206	0.9
391.00854	1.7
397.01923	3.0
407.00339	24.5
408.00912	1.1
409.01825	1.1
416.98346	0.8
425.01566	1.1
427.02991	1.4
434.99802	13.3
453.00873	61.2
454.01178	1.9
471.01950	100.0
471.23239	1.5
472.02234	4.1
494.03323	0.9
494.49347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
55.01871	19.5
55.05500	0.6
61.02928	0.9
68.99784	2.3
69.03419	2.1
69.07040	0.6
69.46037	0.6
69.83731	2.5
70.06587	1.4
71.04987	0.6
77.46906	0.6
79.05472	0.7
81.03429	0.8
81.04532	1.6
81.07061	1.5
83.01339	19.4
83.05006	1.1
85.02909	3.6
91.05484	2.7
93.07050	0.7
95.01321	0.8
95.06081	0.7
97.02885	1.5
99.04477	0.6
101.34026	0.6
107.04942	0.9
107.08582	0.7
109.02898	0.9
111.00807	6.3
111.04426	0.9
111.05503	0.6
111.08064	0.9
111.11688	0.8
112.07612	0.7
119.04908	0.7
121.06489	0.8
121.10139	1.4
123.00797	1.0
123.04420	1.7
123.11737	0.7
125.07133	2.2
127.03901	1.5
133.02798	0.6
135.04471	0.6
139.00250	17.6
139.03917	2.3
143.07051	1.0
143.08141	7.3
145.04950	0.7
147.04414	2.0
149.09575	0.7
153.01823	7.0
157.01321	7.8
157.06154	1.0
160.07578	1.1
161.05876	0.7
163.03954	0.8
165.05464	0.7
167.03456	0.7
167.07140	0.7
169.01352	1.5
177.05490	1.6
178.15347	0.6
179.07103	0.6
181.05022	1.0
185.00826	16.7
185.02457	1.5
186.01633	2.4
189.01849	1.2
190.02631	1.1
195.04391	0.9
197.02560	0.7
201.01717	0.9
203.03548	0.7
207.06390	0.8
217.01326	1.3
218.02092	1.1
221.02318	0.7
223.03925	0.8
230.02092	1.5
231.02899	1.6
239.03310	1.3
241.01315	2.1
243.02870	1.5
245.00903	1.2
246.01518	3.1
251.03445	1.6
257.00845	6.2
259.02448	1.6
265.09875	0.9
266.90427	0.6
267.02921	4.6
269.00824	1.7
269.04535	0.8
273.00323	3.4
274.01215	0.7
275.01828	0.8
279.03030	0.5
279.06891	1.0
283.02469	0.9
285.00272	2.0
286.01065	5.7
287.01837	19.7
288.02515	0.9
295.02432	2.5
297.04309	0.7
300.99710	4.9
302.00558	16.9
303.01212	3.9
305.00754	8.9
307.02432	2.4
307.06604	0.6
307.10196	0.7
311.01624	0.9
312.99789	7.0
313.03436	2.0
323.01788	9.2
325.03204	0.8
326.00870	0.6
328.99359	2.0
331.00882	2.2
333.00339	1.3
335.01733	1.0
339.01508	0.9
341.02930	1.9
351.01398	2.6
361.00162	0.9
363.01306	2.6
369.02448	2.3
379.00778	13.1
379.05142	1.0
381.02548	1.3
391.00739	1.5
397.01831	3.6
407.00323	25.1
407.05676	1.3
408.01019	1.9
409.01868	1.5
416.98694	1.1
425.01532	1.1
427.02548	1.3
434.99774	13.5
436.00363	0.7
453.00882	63.9
454.01093	3.0
470.37067	0.9
471.01947	100.0
471.23740	1.5
472.02252	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	471.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
67.05495	1.1
69.03413	1.0
71.02448	2.8
72.63975	1.1
83.01319	1.2
83.04957	1.9
85.02899	2.2
90.34998	1.3
103.68389	1.0
111.04461	1.3
123.04408	3.7
127.03949	1.4
135.04399	1.2
139.00336	1.1
139.03899	5.4
139.05405	2.4
147.04384	1.4
148.69749	1.0
153.01804	1.2
153.75063	1.0
155.04971	1.1
163.03937	5.3
165.05479	1.7
167.04945	3.9
169.01349	1.2
169.06453	1.0
171.04485	1.4
181.05017	1.8
185.00842	1.7
190.11125	1.0
191.03441	1.5
195.04453	5.1
201.16461	1.0
211.03880	1.5
213.05434	2.9
223.03882	7.7
239.03378	3.3
241.04930	1.9
242.93422	1.2
251.03384	10.6
253.04924	1.3
267.02835	6.8
269.04343	1.8
279.02850	11.0
285.03976	2.2
287.01904	2.8
295.02365	5.6
297.03931	3.6
299.01886	1.6
300.99997	1.4
302.00647	1.7
305.00620	2.0
307.02356	12.4
309.14340	2.0
309.60284	1.0
313.03360	5.0
323.01828	25.7
325.03479	7.3
327.71841	1.1
335.01834	8.9
339.01111	1.3
341.03009	6.7
351.01337	24.2
353.02884	4.6
363.01309	33.5
364.01624	1.4
369.02429	3.1
379.00769	45.1
380.01074	1.9
381.02319	4.4
391.00845	19.6
392.01529	1.9
397.01813	2.4
407.00293	57.3
408.00677	1.4
409.01877	4.2
425.01376	3.5
427.02890	3.2
434.99759	4.4
453.00876	82.1
454.00931	2.3
471.01944	100.0
472.02176	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	470.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77137	0.9
53.03911	1.1
53.55700	0.8
54.65896	0.8
55.01869	8.1
55.05507	2.2
57.03432	5.8
57.07072	1.1
61.02930	4.8
65.03931	1.5
66.99033	1.0
67.05493	7.3
69.03423	15.2
70.06581	1.9
71.05000	3.4
71.51196	1.4
73.02912	2.0
77.25739	0.9
79.05509	1.3
81.03418	6.7
81.07065	2.5
83.01343	3.7
83.04950	1.2
83.08622	5.5
85.02901	54.2
85.06538	3.3
87.04453	1.5
91.03957	2.0
91.05486	1.4
93.07033	4.3
95.04968	1.8
95.08598	2.7
97.02888	16.3
97.06558	1.1
99.04436	3.9
105.07041	1.2
109.02872	5.9
109.06493	2.6
111.04448	3.1
111.07298	2.2
111.08078	46.4
112.08894	1.7
113.09644	13.5
118.06555	5.3
121.10159	1.4
123.04435	9.1
123.08057	1.1
124.07597	2.6
127.03902	16.3
127.07542	2.7
129.09116	100.0
130.09494	1.8
138.05504	1.8
139.00287	3.0
139.03908	14.5
141.09117	1.1
144.08070	6.8
145.04958	19.5
146.06032	11.1
147.04420	3.2
149.05948	1.0
151.03864	1.5
153.01859	3.3
153.09085	2.1
157.01347	1.3
158.01556	1.0
163.03914	2.3
163.05995	5.4
165.05505	2.6
169.01314	1.9
171.10083	1.0
179.07085	1.4
179.90926	0.9
181.04956	3.5
191.03400	4.2
195.06517	1.0
207.06554	1.1
255.12328	6.6
273.13345	17.3
283.10645	1.0
287.01843	3.6
291.08661	3.1
291.14365	25.8
295.02429	1.1
301.07123	1.6
302.00571	1.5
303.01370	1.5
308.11261	4.3
323.01886	1.8
325.11575	1.2
369.02643	1.3
379.00919	2.9
381.02115	1.9
397.02087	1.2
399.63864	0.9
407.00244	3.2
420.79236	1.0
425.01453	1.0
427.03201	1.4
435.00070	2.1
453.01010	8.9
453.12628	1.7
471.01968	11.3
471.13934	1.8
473.97070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3675
Annotation	Koelpinin B
Peak:m/z	Relative Intensity
55.05512	12.5
57.07069	7.4
61.69499	2.3
67.05498	28.1
69.07068	21.1
69.37270	19.0
71.08614	3.1
72.57509	2.3
75.30814	2.2
79.05487	16.9
81.07051	40.2
83.04960	3.4
83.08614	11.8
85.06556	3.9
91.05477	18.5
93.07038	37.1
95.04966	3.9
95.08601	96.3
97.06525	6.9
97.10165	6.6
99.08057	3.8
105.07027	34.9
107.08588	82.6
109.06509	2.4
109.10152	51.6
110.10506	3.2
111.08066	6.6
117.07000	5.8
119.08578	87.8
121.10136	70.9
123.08054	10.2
123.11687	14.3
125.09614	11.6
130.07706	2.7
131.08580	19.2
133.10120	67.0
135.08038	5.0
135.11691	29.6
137.09615	12.7
137.13264	4.6
139.11148	3.3
143.08539	5.9
145.10136	34.6
147.11682	36.8
149.09616	10.7
149.13280	18.1
151.11200	6.5
157.10117	6.3
159.11693	35.1
161.13280	29.7
162.83250	2.4
163.11189	13.3
163.14810	18.5
167.07030	2.9
171.11674	6.0
173.11847	3.4
173.13210	14.5
174.13911	2.4
175.14845	26.0
177.12726	4.8
177.16394	23.0
185.13220	4.1
187.14790	26.2
189.16365	100.0
191.14204	5.8
191.17931	33.9
198.72981	2.5
199.14867	6.3
201.16367	34.2
203.17953	99.0
204.18411	2.9
205.15863	15.9
207.17458	5.9
212.75365	2.6
213.16391	4.1
215.17958	8.8
217.15936	3.6
217.19484	5.9
219.17427	33.9
229.19467	4.9
231.17299	3.6
233.19035	6.9
235.16922	3.7
241.19368	2.5
249.18527	9.4
263.19983	7.5
281.22522	3.6
283.24200	3.8
313.25214	6.3
340.20630	2.8
391.33447	12.5
409.34622	84.9
423.32739	4.0
437.34375	3.9
451.35651	9.7
469.37323	73.2
470.37186	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.33968	4.1
53.03947	10.4
55.01852	4.1
55.05513	22.3
57.07062	9.2
59.05923	4.3
65.03939	6.2
67.05506	44.0
69.03421	16.2
69.07066	34.2
69.63474	25.0
69.63894	10.0
71.04978	7.6
79.05489	38.3
81.03420	15.6
81.07057	98.6
81.07529	6.2
83.04971	22.3
83.08610	11.6
85.02882	15.7
85.06528	7.3
87.04472	6.0
91.05473	59.8
93.07044	76.2
95.04971	16.8
95.08598	81.7
96.08128	8.2
97.02886	7.7
97.06525	19.7
97.10181	9.1
97.60705	4.8
99.04464	7.8
101.06024	6.3
105.07020	97.1
107.04994	6.9
107.08595	95.8
109.02882	14.0
109.06512	17.7
109.10157	62.7
110.09705	7.6
111.04438	5.9
111.08068	27.5
113.12943	5.0
115.05438	6.1
117.07034	25.4
119.04913	7.9
119.08571	75.3
120.08130	7.6
121.02854	6.0
121.06535	9.7
121.10136	79.7
123.04426	20.7
123.08067	12.5
123.11700	22.5
124.07574	5.7
125.05992	7.9
125.09615	11.3
127.03912	8.0
129.07013	15.9
130.07851	6.4
131.05000	5.3
131.08577	56.7
133.06584	5.2
133.10124	60.4
135.08058	14.8
135.11705	33.2
137.06012	20.3
137.09625	11.1
137.13295	7.0
139.03914	20.5
139.11197	19.2
142.07767	6.0
143.06956	6.1
143.08566	22.7
145.10144	63.5
145.11201	8.2
147.04375	12.5
147.11679	53.8
149.09616	12.3
149.13268	28.5
151.03860	7.0
151.11145	6.1
155.07373	4.4
155.08556	16.9
156.09373	7.7
157.10135	40.9
159.11707	62.9
161.09569	8.8
161.13257	29.6
163.03937	19.3
163.11197	7.7
163.14781	8.5
165.05594	4.3
165.09164	8.1
165.12825	6.8
166.08685	10.4
167.03365	6.8
167.08716	8.8
169.10120	23.9
171.11673	35.8
172.12379	5.7
173.13283	38.9
175.11163	11.3
175.14839	15.1
176.15205	5.2
177.00772	4.8
177.12720	5.8
179.08463	5.3
181.04898	5.4
181.10181	8.1
182.10912	6.6
183.11639	28.0
185.13301	32.1
187.11243	5.9
187.14810	26.1
189.12738	15.4
189.16364	17.3
191.14313	8.5
193.15956	4.6
195.11737	9.2
197.13289	17.6
199.11189	5.0
199.13231	4.5
199.14827	25.1
201.12738	11.0
201.16386	25.9
203.14325	17.3
203.17932	7.7
205.15921	13.2
207.11859	6.4
207.13826	7.8
208.12367	4.9
209.13324	10.7
211.14854	13.4
213.16354	13.6
215.14221	8.8
215.17941	13.8
217.15857	13.7
219.17455	7.1
223.14790	9.2
225.16389	12.6
227.17914	12.3
231.17499	6.0
233.15379	10.3
237.16577	6.2
239.06917	4.5
239.17894	6.1
241.04829	4.7
241.19498	5.9
243.17488	5.9
245.18967	6.1
251.18092	6.5
253.19569	6.5
255.17451	7.4
259.09781	5.7
269.18930	6.0
271.20441	6.0
281.07925	4.6
283.20346	8.5
289.17938	11.4
299.08939	12.6
303.13394	15.0
304.13672	29.9
305.05612	5.7
365.28452	5.6
393.27579	6.3
405.31369	20.6
411.28995	11.5
415.30200	7.3
421.30911	10.3
423.32495	16.6
433.31055	17.7
451.22491	5.6
451.32098	63.0
452.32791	6.1
469.10031	10.8
469.20499	33.3
469.33276	100.0
470.33279	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	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	4.1
54.17098	2.8
55.05504	13.9
57.07071	5.2
67.05498	21.5
69.07058	30.4
69.07930	2.8
71.04985	3.4
79.05491	18.5
80.90842	3.9
81.07047	45.6
83.04991	7.4
83.08611	10.9
91.05470	31.6
93.07045	35.2
95.04960	7.7
95.08602	81.1
97.06522	8.6
97.10152	6.3
98.20768	9.9
99.08080	3.2
104.33858	2.6
105.07039	54.6
107.08578	57.5
107.39055	3.1
109.06505	6.8
109.10158	31.5
111.08082	9.7
117.07027	10.1
119.08575	100.0
121.06494	6.3
121.10137	54.9
123.08009	8.5
123.11700	13.3
125.09701	4.0
128.06166	3.5
129.07005	9.2
131.08568	31.4
133.06445	3.4
133.10129	63.2
135.08070	6.3
135.11685	25.6
137.09636	6.8
137.13246	4.6
142.07770	4.1
143.08557	22.9
144.09221	4.2
145.10112	52.9
147.08069	5.5
147.11673	31.2
149.09612	9.0
149.13248	21.4
151.11142	3.2
155.08534	7.8
156.09329	6.1
157.10098	27.0
158.10902	5.8
159.08034	5.9
159.11676	37.3
161.09633	13.0
161.13252	22.7
163.11179	8.2
163.14803	37.0
165.12686	4.7
169.10088	10.7
170.10905	6.4
171.11696	24.6
173.13255	38.4
175.11215	9.0
175.14822	77.1
177.16365	28.2
179.14284	5.3
183.11685	10.5
184.12509	3.4
185.13240	22.8
187.14816	69.3
189.12776	3.7
189.16371	32.0
191.14310	7.1
191.17923	19.2
193.15884	8.7
195.11699	3.4
195.67479	3.7
197.13243	16.8
199.14769	26.3
201.12645	4.5
201.16379	38.9
203.14355	16.5
203.17976	7.1
205.15872	33.1
207.13911	3.9
209.13271	6.6
211.14871	14.5
213.12888	3.3
213.16394	22.7
215.14281	12.3
215.17949	11.1
217.15828	16.7
219.17485	7.1
221.15321	11.9
223.14853	4.1
225.16396	5.6
227.14116	3.4
227.17871	4.7
229.15897	7.3
229.19708	5.4
231.17346	14.3
233.15321	11.8
235.16933	33.2
237.16469	5.2
239.17929	5.1
247.16914	9.7
249.14940	9.3
249.18602	9.3
251.16501	12.3
253.19524	6.8
255.21135	3.8
257.18976	4.8
269.19000	3.5
291.88199	3.0
299.19708	3.5
317.22772	3.6
347.27292	4.0
359.61777	3.1
386.15073	3.8
387.30402	19.8
405.31595	49.4
423.32590	83.2
433.31021	29.5
441.33704	23.4
451.26556	4.0
451.32166	53.8
452.32111	4.0
466.41895	3.4
469.33304	91.0
470.33850	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05505	10.1
57.07065	4.2
67.05513	13.4
69.07066	25.7
70.02415	12.7
71.05000	2.7
79.05495	10.3
81.07060	26.9
83.08634	6.5
86.98132	3.2
87.04448	4.4
91.05462	17.3
93.07030	30.3
94.56123	2.6
95.08606	33.6
97.06480	4.3
105.07034	44.6
107.08591	44.3
107.31590	3.1
109.10139	17.7
111.08084	4.4
117.07011	9.2
119.08583	100.0
121.06496	4.1
121.10143	31.9
123.08055	4.4
123.11708	7.0
125.09635	4.1
129.06961	5.2
131.08571	29.9
133.10106	43.0
135.08064	6.2
135.11707	13.8
137.09586	3.2
141.06995	3.6
142.07797	3.7
143.08563	16.1
144.09354	5.5
145.10129	43.7
147.08072	5.4
147.11707	23.3
149.09637	6.1
149.13254	22.8
153.09126	3.0
155.08543	9.1
156.09335	7.5
157.10109	24.0
158.10945	5.3
159.11697	40.0
161.09584	7.8
161.13239	17.8
163.11176	3.2
163.14844	35.8
165.12785	5.3
169.10129	9.6
170.10979	6.1
171.11673	21.1
173.13252	32.5
173.14577	4.5
175.11179	7.8
175.14822	44.9
177.16393	9.7
181.04840	3.3
183.11713	9.5
184.12512	4.1
185.13187	13.6
187.14833	49.7
189.12766	3.5
189.16382	27.1
191.14290	7.1
193.12250	5.1
193.15869	5.5
195.11758	5.0
197.13287	8.8
199.14833	25.0
201.16338	30.4
201.17729	2.6
203.14384	7.2
203.17981	10.4
205.15948	5.1
207.11790	3.3
209.13329	4.5
211.14877	9.9
213.16391	26.1
215.14526	5.6
215.17952	13.8
217.15825	17.8
221.15199	3.6
223.14711	3.7
225.16383	9.0
229.15825	5.8
231.17473	9.2
233.15355	6.1
235.16895	51.3
237.16443	3.5
239.17915	5.3
247.16965	10.4
249.18480	8.5
251.18025	3.4
255.21178	3.4
257.19107	5.4
261.18478	3.3
275.20032	9.5
281.25388	2.8
283.09659	4.2
295.24118	3.1
331.24228	3.4
347.27484	2.9
365.28717	3.4
377.32376	3.7
387.30444	20.3
405.31537	45.1
423.32590	53.9
433.31003	26.4
451.32043	49.3
469.33276	55.8
470.33124	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	469.331
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03936	2.9
55.05506	17.5
56.96530	3.2
57.07062	5.7
63.06126	3.4
67.05495	22.1
69.03412	4.2
69.07059	27.7
71.08639	3.5
73.05222	2.8
79.05488	19.8
81.07050	43.5
83.08601	9.4
85.02891	5.0
91.05469	23.0
91.32160	2.9
93.07027	41.6
95.04973	6.4
95.08601	67.1
97.06507	4.5
97.10156	6.1
105.07028	61.9
107.08587	67.5
109.06503	6.2
109.10153	37.7
111.08110	5.1
117.06989	13.0
119.08574	100.0
121.06510	3.5
121.10126	56.8
123.08057	9.2
123.11689	14.0
125.09564	4.6
127.07513	3.5
128.06187	4.2
129.06982	8.8
131.08543	41.2
132.98160	2.9
133.10118	71.4
135.08060	7.3
135.11674	30.3
137.09601	5.8
137.13275	3.3
141.06984	3.4
142.07753	6.2
143.08525	26.0
145.10106	66.8
147.11668	49.8
149.09604	12.6
149.13240	21.0
151.11168	5.1
153.09090	4.1
155.08559	7.4
156.09306	9.4
157.10118	26.3
159.08002	3.0
159.11673	46.1
161.09621	5.2
161.13232	34.9
163.11131	5.4
163.14803	30.9
165.12822	3.6
167.10666	5.6
169.10146	9.5
170.10841	6.2
171.11662	23.5
173.13235	42.9
175.11226	5.1
175.14789	48.7
177.12767	5.8
177.16402	26.9
179.10750	4.3
181.04872	3.7
181.10043	4.7
183.11664	7.7
184.12383	3.4
185.13266	28.2
187.11276	4.2
187.14813	75.6
188.15063	3.6
189.12749	5.3
189.16367	73.7
191.14290	8.0
191.17892	7.1
193.15849	8.6
195.11633	3.2
197.13234	16.6
199.14754	26.0
201.12624	5.3
201.16365	34.2
203.14355	20.3
203.15845	3.3
203.17932	29.1
205.15886	12.5
209.13179	4.2
211.14723	8.4
213.16371	23.3
215.14284	13.1
215.17854	20.3
217.15909	17.9
217.19487	7.6
219.17456	11.1
221.15343	7.2
225.16449	6.0
227.17917	8.5
229.15765	9.2
229.19440	6.5
231.17468	12.7
233.15318	17.7
235.16911	10.0
239.18011	6.2
241.19453	7.1
243.21062	4.0
245.15344	3.8
247.16977	10.3
249.18457	33.4
251.16405	5.1
253.19572	9.2
255.21117	4.2
261.18271	5.3
267.21063	5.9
273.18210	3.9
281.10635	7.4
299.11697	5.0
322.11691	7.5
322.61572	4.1
359.64392	3.9
377.32059	6.1
387.30167	5.3
393.31711	6.4
405.31491	31.3
407.32922	6.2
421.30862	9.6
423.32556	78.3
425.34103	7.1
433.30957	17.9
439.31985	6.4
441.33801	6.6
451.32022	38.3
461.98685	3.2
469.26663	4.7
469.33112	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03939	8.0
55.01868	5.8
55.05510	28.1
57.02612	3.0
57.03429	4.5
57.07066	7.9
57.52559	3.5
65.03929	4.6
65.72575	3.1
66.60692	3.3
67.05183	4.5
67.05501	50.6
69.03428	17.8
69.07065	42.0
69.73898	20.6
70.07362	3.8
71.04978	12.6
71.08646	3.3
79.05495	35.1
81.03405	14.9
81.07056	100.0
83.04970	15.8
83.08617	20.7
85.02896	13.2
85.06517	9.5
91.05485	33.9
93.07040	64.3
95.04950	13.9
95.08603	90.9
97.02870	6.9
97.06538	15.3
97.10137	17.7
98.21487	7.1
99.04457	7.7
99.08079	10.1
103.05453	7.5
105.07030	64.3
105.26017	3.0
107.04946	6.6
107.08593	76.7
109.02847	5.7
109.06521	11.1
109.10157	65.4
111.04449	4.5
111.08059	11.1
111.11700	8.2
115.05463	5.4
117.06985	13.1
119.08578	71.4
120.08903	5.0
120.67322	3.1
121.06512	6.5
121.10139	59.6
123.04425	5.8
123.08083	10.8
123.11694	29.2
124.11942	3.6
125.05949	6.5
125.09628	7.3
127.03884	9.3
128.06248	3.4
129.07010	13.2
130.07768	3.9
131.04933	20.3
131.08560	33.6
133.06557	4.0
133.10126	52.1
135.08047	17.4
135.11673	33.6
137.05937	5.7
137.09622	10.8
137.13217	8.4
139.11183	6.6
141.06905	3.9
142.07819	5.9
143.08524	18.3
144.09283	3.6
145.09070	4.7
145.10118	49.7
147.08046	6.6
147.11678	51.1
147.55812	3.3
149.09625	8.4
149.13271	23.0
151.11185	10.6
155.08521	7.2
155.10815	3.8
156.09418	3.8
157.10089	22.3
159.11707	38.4
161.09616	11.8
161.13275	20.4
163.11128	11.4
163.14810	9.8
165.09132	10.7
165.12769	5.3
167.08592	4.0
169.10152	7.6
171.11751	20.9
173.13225	24.4
175.11226	10.7
175.14845	24.4
177.12787	10.6
177.16354	8.2
179.14348	4.6
181.04944	6.5
183.11697	11.9
185.13240	12.1
187.11087	3.8
187.14790	27.6
189.12700	11.4
189.16435	18.8
191.14261	7.4
191.17877	7.2
193.15886	8.3
195.11615	7.9
197.13316	8.8
199.11136	4.4
199.14803	18.9
201.12805	9.7
201.16418	18.4
203.14246	10.6
203.17876	7.3
205.15848	13.1
207.13818	4.9
209.13254	6.3
211.14902	7.4
213.12793	4.2
213.16335	11.4
215.14233	6.7
215.17912	12.4
217.15891	5.6
219.17387	11.7
221.13322	3.9
223.14879	7.1
225.16411	6.4
227.14272	4.1
229.15881	5.2
229.19528	5.2
231.17320	5.8
233.15326	5.9
239.17918	4.1
243.17340	5.6
245.15617	4.0
249.14679	3.9
253.19513	5.1
257.19025	5.4
260.03738	3.3
261.18573	3.5
269.19205	5.1
281.19180	3.8
283.20493	15.6
289.25125	8.8
307.26193	6.5
339.50403	3.3
345.06320	3.5
405.31866	7.5
423.32669	17.6
433.30450	10.1
451.32242	32.0
469.33408	75.9
469.39459	7.0
481.01715	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	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.22035	2.8
53.03943	5.2
55.05503	21.9
67.05503	26.5
69.03419	5.9
69.06725	4.8
69.07069	41.6
69.46019	22.9
71.05007	5.1
79.05493	20.5
81.03423	9.5
81.07053	60.8
83.08606	9.3
85.02872	3.8
85.06542	4.0
88.50600	2.5
91.05481	30.9
93.07036	60.0
95.04945	10.1
95.08605	76.2
97.06522	6.1
97.10161	7.6
99.14509	2.8
105.07021	65.6
107.08591	78.5
109.06519	9.1
109.10152	51.9
111.08096	7.7
115.05426	2.9
117.07007	11.4
119.08579	100.0
121.10138	67.5
123.04446	3.5
123.08054	7.1
123.11657	19.7
127.03889	4.7
129.07016	6.2
130.07718	4.3
131.08556	44.1
133.10118	74.1
135.08069	4.9
135.11690	29.9
137.06004	3.6
137.09615	7.6
137.13260	8.9
139.07559	3.3
142.07762	6.3
143.08548	18.4
144.09355	5.4
145.10127	70.0
147.08018	5.3
147.11676	43.0
149.08542	2.7
149.09628	12.8
149.13271	25.7
151.07509	3.6
155.08594	8.1
156.09370	3.0
156.48621	2.6
157.10133	25.2
158.10844	4.0
159.11684	42.2
161.09627	4.6
161.13240	36.8
163.11198	9.6
163.14819	48.6
165.09045	4.4
167.10638	4.2
169.10132	11.5
170.10934	4.0
171.11676	24.1
173.09676	3.5
173.13235	45.5
175.11189	8.5
175.14809	39.7
177.12762	6.1
177.16389	40.3
179.10751	3.5
179.14236	6.7
181.12228	5.3
182.10933	5.3
183.11670	13.3
185.13272	23.7
187.11134	4.0
187.14821	94.2
189.12733	7.1
189.16377	65.7
191.14319	7.2
191.17903	8.9
193.15910	7.8
197.13280	8.6
199.14827	22.6
201.12695	5.0
201.16368	54.0
203.14334	7.6
203.17943	30.3
205.15941	4.3
207.13844	6.0
207.17485	3.9
209.13321	6.3
211.14836	10.1
213.16339	26.9
215.14362	7.8
215.17926	29.9
217.15857	7.0
217.19443	4.5
219.13864	5.2
219.17325	3.8
221.15353	6.2
223.14842	4.5
223.16875	4.6
225.16524	4.5
227.17950	10.4
229.15854	8.0
229.19455	4.5
231.17455	14.5
233.15382	10.0
235.16885	10.0
239.17918	5.4
241.15756	3.8
241.19496	9.9
243.21140	3.7
247.16975	18.5
249.18484	18.6
253.19501	7.3
255.21066	5.2
259.16974	9.1
261.18500	8.5
263.65634	3.2
267.20969	4.5
279.21100	3.9
299.20264	3.7
309.25635	4.2
355.26407	5.6
377.31842	9.5
381.28168	3.6
387.30417	3.4
403.29654	5.8
405.31412	21.9
407.33096	7.3
421.30972	8.3
423.32602	79.5
425.34064	7.1
433.30518	8.9
451.32251	29.5
469.11063	6.8
469.33228	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	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03924	1.7
55.05497	7.4
56.69149	1.4
57.07072	2.2
61.51437	1.5
67.05504	15.3
69.03430	2.1
69.07058	11.9
70.81378	5.0
71.05002	2.7
79.05479	13.5
81.07046	25.7
83.08624	3.6
91.05482	13.0
93.07032	25.4
95.04985	2.1
95.08596	37.5
97.06521	3.6
97.10161	2.0
101.06011	3.4
105.07020	39.9
107.08579	29.0
109.06546	6.7
109.10147	18.9
111.08060	2.2
115.05526	2.0
117.07031	6.9
119.08578	47.4
121.06509	5.2
121.10133	26.9
121.10933	2.1
123.08080	4.1
123.11713	7.0
125.06026	2.3
125.09639	3.6
129.07011	3.4
130.92195	1.6
131.08554	21.3
133.10120	31.0
135.08086	5.0
135.11681	15.1
137.09666	3.6
137.13234	2.1
139.07571	2.3
142.07800	2.7
143.08571	12.6
144.09367	2.9
145.10109	30.7
145.11160	2.5
147.08084	3.5
147.11667	22.7
149.09631	11.9
149.13274	13.9
151.11218	3.0
153.09108	2.4
155.08548	3.0
156.09367	4.8
157.10097	16.3
158.10901	2.2
159.11671	20.1
161.09637	7.3
161.13223	17.7
161.14268	1.7
163.11276	5.0
163.14822	8.5
165.09172	1.8
167.10725	1.7
169.10141	4.9
170.10930	1.7
171.11682	14.3
173.09665	3.6
173.13261	23.3
175.11198	8.2
175.14809	23.3
177.09329	2.0
177.12791	5.3
177.16382	10.2
179.10780	2.1
183.11707	4.7
185.13301	12.7
187.11206	3.7
187.14806	26.7
189.12781	6.1
189.16376	26.6
191.14314	6.3
191.18040	3.7
194.62306	2.0
195.11731	3.7
197.13298	7.5
199.14806	13.1
201.12753	2.3
201.16408	13.8
203.14355	7.2
203.17896	10.1
205.15857	4.5
207.13824	3.7
209.13316	3.8
211.14877	4.8
213.16376	6.8
215.14265	8.8
215.17924	11.9
217.15857	10.0
219.13829	2.0
219.17361	2.2
221.15395	4.5
223.14975	2.7
225.12837	1.9
225.16441	2.8
227.17976	2.1
229.15921	4.6
229.19624	2.3
231.17424	5.2
233.15350	15.6
235.16872	4.1
237.16556	2.1
239.18115	2.5
241.19594	4.5
243.21211	3.2
245.19116	2.5
247.16959	4.2
249.18608	3.9
253.19652	2.0
255.21162	2.1
259.16742	1.7
261.18396	2.4
267.17538	1.6
267.21143	1.9
269.22580	2.4
279.21103	2.2
291.94522	1.9
309.22104	4.1
323.27045	2.4
327.23163	3.0
393.31729	7.2
405.31662	15.5
407.29373	3.4
421.31299	8.5
423.32535	24.9
433.31174	7.1
439.32086	4.7
441.33295	1.9
451.32108	31.8
463.63675	1.8
469.08481	2.3
469.33203	100.0
470.33722	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	469.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.7
54.57665	2.3
55.01858	4.4
55.05511	28.8
55.60881	2.3
57.03433	5.3
57.07069	7.6
61.86669	2.3
67.05508	38.4
68.82301	2.4
69.03426	20.0
69.07068	39.6
71.01317	2.3
71.04980	6.6
71.08655	2.4
72.36396	2.2
73.06585	2.0
79.05491	29.7
81.03403	16.6
81.07052	98.1
83.04967	7.3
83.08611	14.0
85.02905	21.6
85.06539	12.5
91.05470	18.2
93.06489	4.5
93.07040	57.4
95.04959	10.3
95.08605	100.0
97.02882	8.1
97.06512	9.9
97.10158	17.4
98.21558	4.2
99.04439	3.8
99.08081	6.3
103.05434	3.5
105.04437	2.4
105.07027	36.1
107.04931	6.2
107.08592	66.5
109.02852	8.8
109.06527	13.6
109.09393	2.9
109.10155	58.3
111.04445	7.7
111.08072	14.5
111.11719	7.1
115.04021	2.4
117.07029	6.1
119.08578	38.2
121.06496	5.4
121.09329	4.2
121.10142	47.0
123.04446	7.2
123.08057	7.3
123.11710	32.5
125.06019	2.6
125.09596	11.0
126.10757	2.2
127.03910	11.0
128.06230	2.3
129.05484	2.5
129.07045	3.3
131.08585	12.6
133.10130	32.3
135.08051	6.8
135.11694	26.2
137.05986	5.7
137.09570	8.4
137.13235	10.1
139.03879	6.2
139.07516	2.7
139.11151	6.1
141.09154	2.1
143.08566	6.3
145.04948	4.0
145.06386	2.1
145.10114	24.3
147.08031	7.2
147.11691	24.8
149.09593	5.5
149.13257	32.8
151.07500	3.2
151.11169	7.1
151.14799	6.4
153.01831	12.0
155.08546	6.3
157.10135	12.6
159.07979	4.3
159.11679	23.3
161.09531	3.9
161.13251	13.8
163.03938	2.3
163.11185	7.8
163.14771	13.1
164.39180	2.6
165.09061	5.3
165.12645	4.8
165.16302	2.6
171.11703	5.5
173.13260	13.5
175.11223	6.7
175.14848	12.9
177.12743	5.1
177.16441	5.4
183.11679	5.7
185.13264	8.1
187.14839	15.0
189.12805	4.8
189.16432	11.4
191.14278	3.9
191.17886	6.6
193.15849	3.7
197.13226	3.3
199.14771	6.3
201.16351	9.1
203.14296	7.1
203.17929	6.8
205.15848	3.5
209.13445	2.4
213.16296	5.0
215.17944	9.4
217.15935	2.9
221.15239	2.8
223.14859	2.5
227.17953	3.7
229.15923	3.2
229.19467	4.1
229.65764	2.5
231.17441	5.6
247.16966	5.1
249.18399	2.8
269.22635	2.9
271.24200	3.5
287.23666	5.3
289.25381	10.7
305.24667	4.1
307.26331	6.8
317.06439	11.8
397.27267	8.1
405.31482	7.5
415.28461	12.3
423.32477	13.3
433.29425	15.9
451.30646	14.8
469.07465	7.0
469.33664	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	469.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01870	3.4
55.05495	2.9
58.06619	2.4
59.04985	10.8
65.03937	3.1
67.05492	9.6
69.03405	6.9
69.07055	8.1
71.04991	11.5
71.43087	2.7
71.43419	2.6
79.05486	10.4
81.03406	5.7
81.07051	40.9
85.02895	8.6
87.04446	2.3
91.05460	6.4
93.07028	13.1
95.04961	22.1
95.08616	15.3
97.02869	5.3
97.06528	9.0
97.10148	2.7
105.05524	2.9
105.07020	7.7
107.08596	6.6
109.02895	4.4
111.04457	12.0
119.04916	3.0
121.02890	2.2
121.06528	3.3
121.10140	100.0
123.04430	19.1
123.06566	2.7
123.11704	36.7
125.05979	15.6
125.09603	6.4
127.03920	7.1
128.39983	2.2
129.00813	2.3
132.89563	2.3
133.01801	2.2
137.05975	4.3
139.03905	18.1
139.11165	33.8
140.04701	3.4
143.10649	5.5
144.08112	2.4
147.04413	3.8
149.09586	16.1
151.03923	3.8
153.01817	4.7
153.05440	2.9
155.07007	5.6
163.03865	5.4
165.05479	3.7
167.07185	3.7
167.10681	79.2
181.04897	12.6
183.06483	18.0
185.11728	36.2
188.03792	4.0
191.52048	2.2
225.07584	4.9
226.37941	2.2
238.80368	2.4
257.04425	3.0
278.38748	2.3
307.12830	7.3
311.14890	3.6
329.15897	10.5
469.00345	2.6
469.18936	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	469.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01865	5.1
55.05506	6.9
57.03431	2.6
57.07072	3.9
64.98342	1.2
65.03931	3.1
66.60828	1.3
67.05511	13.1
69.03446	8.3
69.07072	13.4
70.83647	4.0
71.04999	1.8
79.05493	23.5
81.03406	6.8
81.07053	32.4
83.04977	4.3
83.08627	4.3
83.87289	1.3
85.02907	6.7
85.06538	3.6
91.05481	17.9
93.03403	3.7
93.07042	55.8
95.04970	5.3
95.08605	28.2
95.09186	2.0
97.02888	3.7
97.06526	4.4
97.10192	2.5
99.04476	1.4
99.08112	2.4
103.05508	1.8
105.07035	24.8
107.04955	2.3
107.08588	22.1
109.02855	2.9
109.06535	3.9
109.10156	18.0
111.04445	3.3
111.08077	2.9
111.11726	1.4
112.77880	1.5
117.07081	3.0
119.08582	25.4
121.06498	3.8
121.10142	38.7
123.04414	3.0
123.08062	3.8
123.11698	8.4
125.09647	3.4
127.03899	2.0
129.07040	3.3
131.08553	11.2
133.04976	1.8
133.10135	15.5
135.08043	4.6
135.11671	7.8
137.05991	2.1
137.09642	2.8
137.13216	1.8
139.03987	1.9
139.11230	1.8
141.07028	2.2
143.03386	2.0
143.08548	5.8
145.06494	2.4
145.10112	12.0
147.04446	2.2
147.08080	6.7
147.11676	10.7
149.09616	100.0
149.13243	7.3
151.11214	2.0
153.01833	8.7
155.08578	2.4
157.10114	7.2
159.08080	2.6
159.11703	13.3
161.05937	3.1
161.09619	4.9
161.13237	8.5
163.11206	3.2
163.14815	4.6
165.06973	2.0
165.09097	2.7
167.10675	2.4
169.10091	1.9
171.11678	4.9
173.06018	2.2
173.09528	2.2
173.13231	8.3
175.03940	5.4
175.11244	4.2
175.14828	8.7
177.12822	2.0
177.16394	5.0
181.12144	1.4
183.11681	2.0
185.13313	5.8
187.11200	1.9
187.14804	11.5
189.05447	7.3
189.12756	3.2
189.16400	9.4
191.14346	2.0
191.17938	2.9
197.05988	5.2
197.13216	1.7
199.14819	5.6
201.05473	4.7
201.16360	6.5
203.14352	4.9
203.17943	3.9
205.15773	1.6
207.13802	2.1
209.11705	1.7
211.07675	2.6
213.05476	8.8
213.16318	4.0
215.07121	2.6
215.14360	3.1
215.18010	6.1
217.15884	4.1
219.13858	1.9
219.17332	1.4
221.15218	2.3
225.05405	3.2
227.17920	1.6
229.15945	1.9
231.17476	3.5
233.15379	3.3
235.16911	2.5
239.07048	5.9
241.04996	3.0
243.06520	5.5
247.16985	1.7
251.12782	4.0
255.06482	2.4
267.03860	2.7
267.06525	31.5
285.07611	9.6
289.21466	1.9
299.09277	1.7
303.08524	2.5
317.06531	5.9
317.10052	2.1
327.23404	1.7
393.31497	5.4
397.27625	1.6
405.31638	3.3
421.31042	2.4
422.40054	1.4
423.32639	13.4
433.30511	4.2
439.32040	4.6
451.31799	5.7
469.07605	3.9
469.20331	9.5
469.33316	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	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
53.48088	0.4
55.01870	2.5
55.05490	0.9
57.03419	1.7
59.04988	1.0
61.02911	0.5
69.03092	0.7
69.03427	8.9
69.44896	2.8
69.45308	0.9
70.06562	0.6
71.04678	0.6
71.04995	6.4
72.12225	0.4
73.02914	0.5
78.12697	0.4
79.05454	0.5
81.03415	9.8
81.07043	1.4
83.04964	1.7
83.78235	0.4
85.02883	1.6
91.05479	2.0
93.07020	1.3
95.04942	1.3
95.08590	0.9
99.04452	5.0
105.07026	0.8
107.08580	0.5
109.02890	4.5
109.10155	0.8
111.04399	1.0
116.04960	0.7
117.05453	1.6
118.06528	3.3
119.04935	0.5
119.88481	0.5
123.04424	1.2
123.08040	1.0
127.03876	1.0
131.04895	1.0
135.04431	0.8
137.05962	3.4
139.03873	1.2
145.06528	0.8
145.07599	4.9
147.04378	1.4
147.09142	3.7
149.09711	0.5
151.07486	1.0
153.01753	0.6
161.06012	0.8
163.03848	0.5
163.07466	0.7
163.08708	0.7
165.05537	0.6
167.07104	0.9
167.08481	0.5
173.05719	0.9
173.07097	10.0
175.08723	5.0
177.05458	1.2
178.06198	0.6
181.04927	1.0
183.10210	0.5
184.10493	0.7
191.08147	100.0
192.08438	1.7
193.08627	0.5
217.08549	0.5
251.06744	0.5
271.10632	0.5
273.11105	1.1
289.11716	3.1
307.12872	59.8
308.13159	1.6
325.13910	14.1
393.92279	0.5
397.13928	1.2
407.18393	0.5
415.15048	1.5
433.15961	3.3
469.18234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
53.48088	0.4
55.01870	2.5
55.05490	0.9
57.03419	1.7
59.04988	1.0
61.02911	0.5
69.03092	0.7
69.03427	8.9
69.44896	2.8
69.45308	0.9
70.06562	0.6
71.04678	0.6
71.04995	6.4
72.12225	0.4
73.02914	0.5
78.12697	0.4
79.05454	0.5
81.03415	9.8
81.07043	1.4
83.04964	1.7
83.78235	0.4
85.02883	1.6
91.05479	2.0
93.07020	1.3
95.04942	1.3
95.08590	0.9
99.04452	5.0
105.07026	0.8
107.08580	0.5
109.02890	4.5
109.10155	0.8
111.04399	1.0
116.04960	0.7
117.05453	1.6
118.06528	3.3
119.04935	0.5
119.88481	0.5
123.04424	1.2
123.08040	1.0
127.03876	1.0
131.04895	1.0
135.04431	0.8
137.05962	3.4
139.03873	1.2
145.06528	0.8
145.07599	4.9
147.04378	1.4
147.09142	3.7
149.09711	0.5
151.07486	1.0
153.01753	0.6
161.06012	0.8
163.03848	0.5
163.07466	0.7
163.08708	0.7
165.05537	0.6
167.07104	0.9
167.08481	0.5
173.05719	0.9
173.07097	10.0
175.08723	5.0
177.05458	1.2
178.06198	0.6
181.04927	1.0
183.10210	0.5
184.10493	0.7
191.08147	100.0
192.08438	1.7
193.08627	0.5
217.08549	0.5
251.06744	0.5
271.10632	0.5
273.11105	1.1
289.11716	3.1
307.12872	59.8
308.13159	1.6
325.13910	14.1
393.92279	0.5
397.13928	1.2
407.18393	0.5
415.15048	1.5
433.15961	3.3
469.18234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01868	2.0
55.05514	1.5
57.03420	1.3
59.04985	1.0
62.02356	0.8
69.03425	11.2
69.39513	6.9
69.39910	1.6
71.04981	5.7
81.03416	23.5
83.04969	4.2
85.02898	2.0
87.45210	0.9
99.04443	12.6
103.03973	1.9
109.02883	9.3
110.30392	0.8
117.05473	2.9
118.06526	2.1
127.03921	2.8
145.07616	5.1
147.09167	8.8
163.08704	1.5
173.07123	8.2
175.08659	11.1
191.08147	100.0
192.08429	2.1
204.08855	0.9
236.13707	1.3
254.14702	1.0
271.10822	1.9
289.11755	7.2
307.12872	30.7
308.13144	0.9
325.13889	25.2
326.14352	1.2
326.21478	1.1
331.12817	7.4
349.13858	4.8
371.15918	0.9
381.76385	1.0
389.16995	2.8
391.14743	0.9
397.14044	4.6
415.15030	7.0
433.15985	10.2
451.17087	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	469.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03743	0.7
53.03948	6.8
54.91420	0.5
55.01866	4.1
59.04995	0.6
61.02929	1.8
64.31497	0.5
65.03928	3.9
67.05493	4.9
69.03420	2.2
69.07038	0.7
71.01365	1.6
71.50842	0.8
77.03952	1.1
79.05490	3.0
81.03411	2.5
81.07053	2.2
83.04977	1.1
85.02911	2.1
91.05482	4.5
93.03391	1.5
93.07035	1.5
94.04221	0.8
95.04964	69.2
95.08614	0.9
97.02875	0.9
97.06527	0.6
103.05458	0.8
105.03379	1.7
105.04503	4.7
105.07037	1.1
107.04958	2.7
107.08560	1.1
108.02080	1.6
109.02876	1.5
109.06513	2.2
109.10121	0.6
110.03658	1.4
111.04443	2.4
119.04939	1.6
120.08032	0.8
121.02913	1.1
121.06513	1.7
123.04424	80.6
124.04703	1.2
125.02383	1.5
125.05952	1.3
127.03909	1.1
127.07568	1.1
127.11002	0.6
131.04915	1.5
133.02837	3.9
133.06479	1.4
135.04393	2.0
137.05969	6.8
139.03918	4.5
140.04674	23.0
141.05418	1.0
141.06969	0.6
147.04373	2.6
148.05203	0.6
149.05960	3.0
149.07043	0.6
151.03917	1.9
151.07538	1.3
152.04729	0.7
153.01891	0.7
153.05450	3.1
154.06262	0.7
155.07019	46.4
155.53255	0.6
156.07269	0.9
157.04935	0.6
161.06001	1.0
163.03885	2.5
163.07529	0.6
165.05461	7.7
166.06264	1.1
167.07039	19.4
169.04994	0.6
171.06580	1.2
175.03918	0.7
176.04779	0.6
177.05458	6.9
179.03423	0.5
179.07004	2.8
180.07768	4.0
181.04958	28.1
182.05605	1.6
183.06523	100.0
184.06848	1.0
187.07542	0.9
191.03360	0.6
191.08286	0.8
193.04961	5.6
195.06508	6.4
197.08072	0.9
207.06520	4.8
208.07288	8.9
209.08075	5.3
219.06477	1.1
225.07558	21.0
226.08328	6.1
227.09113	2.6
231.10204	0.8
243.08553	1.2
257.04474	1.1
273.10562	0.7
277.10675	1.8
295.06000	1.0
307.12854	1.6
331.11505	0.9
359.11023	0.7
375.26724	0.6
401.12137	0.7
469.16855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74800	1.2
53.03945	7.3
55.01873	3.2
55.05525	4.0
57.03441	3.6
60.08176	7.1
61.02916	2.3
67.05500	6.0
68.99784	1.6
69.03433	20.7
69.07071	6.5
69.84674	2.6
69.85085	5.0
70.06598	4.5
71.01363	2.1
71.04996	9.8
71.07401	1.6
73.02905	1.8
79.05492	9.6
81.03422	35.1
81.07060	21.4
83.04977	11.6
83.08610	2.8
85.02905	13.3
85.06566	1.7
86.03282	1.6
86.09714	23.0
87.04459	1.5
91.05488	6.2
93.07053	24.2
95.04964	9.4
95.08613	10.2
97.02906	7.3
97.06540	11.7
98.03292	1.3
98.46437	1.5
99.04465	15.6
103.03902	1.7
104.10749	41.9
105.07024	11.7
106.02924	1.8
107.04954	3.0
107.08604	11.9
109.02883	20.3
109.06525	11.3
109.10189	2.3
111.08078	8.7
112.07614	2.0
113.06018	1.9
115.03938	3.1
117.05524	2.9
118.06557	1.7
119.04964	1.9
119.08576	8.8
121.02927	2.0
121.06521	28.0
121.07366	1.4
121.10163	5.5
123.04446	10.4
123.08067	2.0
123.11703	2.6
124.03961	2.4
124.04790	2.8
125.00012	9.3
125.06005	4.7
127.03931	15.9
127.07561	5.0
129.07033	1.4
131.08578	3.8
133.10132	7.7
135.04440	2.4
135.08086	6.6
137.02364	3.9
137.05939	3.1
138.02672	1.9
139.03967	1.5
139.07564	7.1
139.11220	1.8
140.92133	1.4
143.07063	5.0
143.08569	2.6
145.04950	1.9
145.07581	4.2
145.10126	3.9
147.04407	3.2
147.08110	2.8
147.09200	9.3
147.11702	24.8
149.13246	1.8
153.01865	2.3
157.08681	3.2
157.10130	6.6
157.12201	3.6
161.06078	1.7
161.13275	3.9
163.03882	1.7
164.51268	1.5
165.05510	1.5
165.12770	10.9
169.12265	5.0
171.11690	9.6
173.07147	9.4
173.09703	2.0
175.08731	9.8
175.11174	16.5
177.05466	2.1
184.07346	34.4
184.08974	1.8
187.06041	4.1
189.12740	7.8
191.03461	2.6
191.08163	100.0
193.12250	14.6
199.11148	10.3
205.07100	3.0
207.13846	5.4
210.15057	1.4
211.13354	12.1
217.12242	34.9
229.04904	3.1
229.14500	3.6
230.05254	2.1
231.11299	1.5
233.09453	1.8
235.13284	41.0
241.05205	1.5
253.14357	50.6
257.04404	3.3
258.04865	1.6
271.15448	6.1
289.11798	6.3
289.16699	2.4
303.05020	13.9
304.05328	35.9
305.05536	21.6
306.05780	33.2
307.06036	1.9
307.12906	28.2
325.13989	26.1
325.84219	1.3
331.12891	8.8
343.15564	1.4
349.13947	6.1
361.16476	2.7
365.68039	1.4
379.17523	4.6
389.16846	2.3
397.13824	3.6
397.18600	6.3
408.08041	3.8
415.15076	9.0
415.19669	3.3
433.16025	6.4
450.09094	1.6
450.22534	2.5
451.16830	8.6
468.09894	15.7
468.23557	13.5
469.10431	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	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17665	1.8
53.03951	4.0
55.01857	2.6
59.05000	39.6
62.06567	1.7
67.05508	13.5
69.03432	9.7
69.07063	5.5
71.04984	6.6
71.30595	2.4
71.30951	2.3
79.05484	7.2
81.03409	3.5
81.07050	6.8
85.02891	4.0
91.05490	3.0
93.07047	8.7
95.04954	4.1
95.08603	34.2
97.02887	2.2
97.06524	13.4
105.07019	5.0
107.04958	3.4
107.08549	3.0
109.02869	27.7
109.10146	40.1
111.04435	2.6
119.08568	20.2
121.10146	23.4
123.04426	6.4
123.08061	53.5
124.04747	2.1
124.07596	2.3
125.05979	2.8
127.03935	3.5
131.04982	2.1
137.02293	2.3
137.05968	5.6
137.09615	31.2
139.03926	3.1
139.11154	7.4
141.09084	14.8
145.02852	2.5
147.04398	4.8
147.08041	6.6
157.12193	3.5
158.08128	3.7
165.09105	32.5
167.06929	3.1
177.05466	2.1
183.10158	100.0
184.07370	2.5
184.10513	2.1
191.08179	14.8
201.11241	8.3
207.06552	1.9
216.23085	2.0
242.13602	2.5
257.12756	1.9
263.73795	2.0
269.12808	2.1
271.15363	2.5
288.14365	4.5
289.16235	3.1
303.04895	3.0
304.05313	5.8
306.13196	3.4
307.12750	5.4
310.97858	2.4
317.06390	2.4
327.14365	4.5
345.15396	12.0
356.05063	2.4
408.07938	3.8
409.10013	1.6
468.09882	6.7
468.15558	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.5
57.03426	1.9
57.07075	35.6
59.04990	3.5
65.03930	2.1
67.05504	100.0
68.05824	1.3
69.03451	0.8
69.07066	9.5
71.04980	2.6
71.08630	25.3
79.05488	3.6
80.72780	0.8
81.07055	26.8
83.08617	16.8
85.06542	3.4
85.10184	13.3
91.05474	6.6
93.07043	3.4
95.08606	28.5
97.10153	4.9
98.20780	1.3
99.11716	1.5
105.06985	0.8
107.08607	2.9
109.10154	78.5
111.08095	2.9
111.11709	1.4
119.08571	6.7
123.11691	5.1
127.11176	1.3
127.50666	1.0
137.09625	2.8
137.13222	1.8
143.45918	0.8
145.78242	0.7
147.74283	0.8
151.14749	1.0
155.10664	4.2
161.09622	1.1
169.10202	0.8
173.11736	30.3
195.19943	0.7
217.15941	0.9
221.22699	1.4
239.23668	11.9
449.30530	1.6
467.37335	98.0
468.37674	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05510	11.2
57.03439	1.5
57.07074	34.6
59.05011	3.1
65.03953	3.2
66.32933	0.6
67.05503	100.0
68.05854	0.8
69.03446	0.9
69.07065	9.0
70.07996	2.7
71.04990	2.6
71.08630	23.5
79.05478	3.2
81.07053	27.2
83.08619	13.9
85.06541	2.7
85.10182	12.0
87.87528	0.6
89.06013	0.9
91.05486	5.9
93.07053	4.7
95.04958	1.0
95.08604	24.7
97.10192	4.3
99.11757	1.1
101.54385	0.6
105.07006	1.5
107.08596	2.3
109.10153	76.3
110.10495	0.9
111.08100	2.6
111.11725	1.3
113.13316	0.8
119.08567	5.5
121.10171	0.7
123.11690	5.2
125.13287	0.8
131.08609	0.7
133.10080	0.8
137.09605	3.5
137.13271	1.9
145.10155	1.1
147.11758	0.8
151.14842	1.3
153.96709	0.7
155.10674	2.7
159.11717	1.1
173.11734	24.3
189.09056	0.7
199.14778	0.7
221.22594	1.0
226.17186	0.8
239.23679	8.2
266.26953	0.6
467.37326	75.9
468.37750	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	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27754	0.5
55.05510	12.3
57.03437	2.2
57.07074	31.7
59.04997	3.9
65.03941	2.8
67.05503	100.0
68.05822	1.2
69.03455	0.6
69.07066	7.9
70.46529	1.1
71.04994	2.8
71.08630	24.7
79.05489	2.8
81.07055	26.4
83.08619	14.5
84.59396	0.5
85.06534	3.0
85.10177	13.0
85.20683	0.5
91.05479	5.7
93.07058	4.2
94.07308	0.5
95.08604	24.8
96.08939	0.6
97.10166	5.7
99.08105	0.8
99.11710	1.0
105.07041	1.0
107.08605	2.1
109.10152	70.9
110.10475	0.9
111.08064	3.1
111.11710	1.0
112.83195	0.6
119.08575	5.9
121.10165	0.5
123.11690	5.1
125.13229	0.8
131.08577	0.5
131.16577	0.5
137.09602	3.5
137.13231	3.0
146.85156	0.5
151.14841	1.0
155.10667	4.1
158.41565	0.5
165.16443	0.7
166.74681	0.5
173.11726	24.2
221.22559	1.3
239.23682	7.9
467.37320	73.1
468.37744	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	467.3006
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
53.03942	6.4
55.01871	4.5
55.05315	2.4
55.05512	26.4
57.03437	6.6
57.07080	7.2
59.04993	3.3
60.50100	2.4
66.05297	2.4
67.05505	27.6
69.03426	32.5
69.07069	49.0
69.34698	22.6
71.04996	8.7
71.10804	2.5
79.05488	30.5
81.03415	22.7
81.07056	100.0
83.04985	7.1
83.08626	14.4
85.02898	34.5
85.06545	6.7
91.05489	22.2
93.06504	1.8
93.07043	63.2
95.04952	8.4
95.08603	66.1
97.02889	9.7
97.06553	9.4
97.10178	12.1
98.21472	6.4
99.04442	6.6
103.03976	3.6
105.07030	35.8
107.05010	3.0
107.08590	64.3
109.02885	9.1
109.06522	14.0
109.10147	47.0
111.04406	4.9
111.08082	6.2
111.11725	8.6
117.07043	5.8
117.23308	2.6
119.08586	41.6
120.08936	2.9
121.06506	5.2
121.10139	44.5
123.04488	3.7
123.08074	6.5
123.11692	27.1
125.09583	4.8
127.03896	13.0
128.06178	2.9
129.06996	4.8
131.08557	12.8
132.44946	2.7
133.10127	36.8
135.08083	7.2
135.11699	24.2
137.05917	4.5
137.09631	6.1
137.13260	13.6
139.11124	7.5
143.08559	10.0
145.10114	25.0
147.08035	5.4
147.11665	27.2
149.09650	7.6
149.13261	49.4
151.11183	55.4
153.01884	4.1
153.12704	4.3
155.08568	3.5
156.01512	3.1
157.10118	11.1
157.12253	3.1
159.11690	28.3
161.09602	5.0
161.13252	19.5
163.11195	5.3
163.14806	10.6
165.12758	5.6
169.10126	2.7
171.11739	11.7
173.09616	3.5
173.13194	13.9
175.11166	4.4
175.14835	13.9
177.12769	7.0
177.16389	6.6
183.11710	3.9
185.09607	3.0
185.13298	5.5
187.11253	3.5
187.13348	3.2
187.14862	12.3
189.16440	9.8
191.10715	3.0
191.14334	4.0
193.15906	4.4
195.11670	5.1
199.14804	6.2
201.12639	3.4
201.16397	8.2
203.14290	3.0
205.15828	4.0
211.14944	3.7
213.16460	7.8
215.17941	6.7
227.18025	3.0
229.19559	8.5
233.15289	3.3
257.22760	4.5
259.24088	5.1
269.22781	13.0
271.24231	3.9
275.23645	4.4
287.23630	14.4
299.23520	3.5
305.24811	15.4
315.23196	3.9
322.47720	3.2
413.26804	4.6
421.30762	3.8
431.28079	12.2
449.29355	13.3
467.30704	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3002
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
50.10519	1.9
53.03938	6.7
55.01866	3.8
55.05511	42.8
57.03430	5.2
57.07074	9.7
59.04988	3.9
61.02925	1.8
67.05500	40.7
69.03428	31.9
69.07066	62.4
69.92628	11.0
71.04977	5.8
73.06544	2.0
79.05488	28.2
81.03416	40.9
81.07054	100.0
83.04974	10.0
83.08622	12.9
85.02463	2.2
85.02878	11.8
85.06538	8.5
91.05474	20.2
93.07038	44.2
95.04969	13.3
95.08605	73.9
96.02584	1.8
97.02892	7.7
97.06548	12.1
97.07059	2.4
97.10169	38.9
98.21475	2.2
99.04455	9.5
99.08075	3.3
100.23584	1.8
101.06031	2.6
101.96329	1.7
105.07025	40.3
107.04951	4.9
107.08592	47.4
107.42907	1.8
109.02874	13.4
109.06541	10.1
109.10153	37.8
110.56841	1.9
111.04430	5.8
111.08075	9.9
111.11719	10.1
113.69251	1.8
115.03902	1.9
117.07008	7.7
119.08572	38.5
121.06495	5.9
121.10146	41.2
123.04458	4.4
123.08069	6.4
123.10833	3.6
123.11700	48.0
125.09641	6.7
127.03925	17.6
129.07010	4.4
130.07790	2.0
131.08536	9.4
133.06516	3.2
133.10120	25.9
135.08105	8.5
135.11678	27.1
137.05968	6.0
137.09621	8.6
137.13239	11.5
139.11183	19.1
142.07822	2.2
143.08565	7.9
143.10672	3.9
145.06474	2.5
145.10114	15.8
147.08035	2.8
147.11676	22.8
149.09636	7.6
149.13254	30.0
149.95041	1.9
151.07585	2.3
151.11197	6.3
153.01875	3.3
153.12875	3.6
155.08598	2.7
155.14348	2.2
157.10143	8.8
157.12190	11.2
159.08063	4.3
159.11697	16.0
161.09641	4.5
161.13217	12.0
163.11189	8.0
163.14812	9.8
165.09155	2.5
165.12779	7.1
169.10034	2.9
171.11705	7.0
173.09663	3.9
173.13278	7.2
175.11246	3.3
175.14798	8.2
177.12711	2.8
177.16379	5.8
178.18991	1.8
179.14241	4.1
183.11595	2.9
185.09769	2.3
185.13229	6.7
187.11113	2.3
187.14790	7.6
189.12737	6.0
189.16394	12.4
191.10652	2.0
191.14331	3.0
191.18025	2.9
193.12242	2.6
199.14769	3.0
201.12814	3.3
201.16437	3.7
203.14371	3.7
203.17923	3.3
207.17450	2.2
211.14879	2.6
213.12714	3.2
213.16441	4.0
217.15758	2.7
219.13829	2.0
227.14458	2.7
227.17978	2.3
231.13828	4.7
247.16953	2.8
249.18491	2.9
259.24225	6.0
269.22644	3.2
275.24115	2.0
277.25229	4.9
287.23621	8.1
303.23349	2.2
305.24741	21.0
317.24792	2.0
323.25668	3.2
385.27435	3.5
395.25659	2.8
413.26794	7.5
421.30875	2.7
431.27896	13.4
449.28885	16.6
467.30109	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	467.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02381	0.7
53.03938	1.1
55.01864	0.6
59.05001	6.3
67.05214	0.3
67.05502	2.7
69.03426	3.4
69.07047	1.1
69.22011	0.4
69.22329	3.5
70.06554	0.4
71.04987	0.7
76.32571	0.3
79.01843	5.4
79.05494	1.7
81.03406	1.2
81.04509	0.5
81.07053	1.4
83.01314	0.5
83.04967	0.5
85.02897	1.2
87.04419	0.4
91.05471	1.0
93.07037	0.8
95.04958	1.1
95.08600	6.2
97.02894	2.1
97.06522	2.1
98.97572	0.3
99.04453	0.5
105.07053	0.8
107.01315	1.3
107.04961	1.0
107.08588	0.6
109.02872	6.0
109.10154	5.9
119.08582	3.4
121.10152	3.5
123.04411	1.1
123.08060	8.5
123.11755	0.4
124.07600	0.3
125.02333	3.3
125.05968	0.7
127.03909	2.7
131.04892	0.5
137.05980	0.5
137.09619	4.9
139.11192	1.2
141.09097	2.4
143.03391	9.2
147.04475	0.4
147.08029	0.8
150.30981	0.4
153.01825	100.0
153.02843	4.0
154.02161	2.8
161.00923	0.3
163.03934	0.7
165.09111	6.4
177.05496	0.7
183.10162	11.1
191.03438	1.0
201.11200	0.9
208.46170	0.3
237.03963	1.1
259.14447	0.3
261.04138	0.3
267.44504	0.3
287.05466	0.9
287.14014	1.0
297.06097	0.5
305.06430	0.6
305.15030	1.5
324.57986	0.4
327.14273	0.4
345.15341	0.9
407.07428	0.4
449.07214	1.1
449.17755	0.3
467.02481	0.5
467.09174	0.4
467.19919	0.8
468.19943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1337
Annotation	Neosilyhermin A
Peak:m/z	Relative Intensity
51.02388	0.7
53.03947	1.3
55.01859	2.3
55.05505	0.9
57.35919	0.6
59.05016	1.1
64.43701	0.7
65.03945	1.3
67.05505	1.9
68.99784	2.4
69.03430	2.2
69.07065	1.1
71.05023	1.1
71.50671	0.9
74.20797	0.6
75.09851	0.5
79.05505	2.0
81.03414	2.9
81.07062	3.8
83.04974	1.4
84.76615	0.6
85.02889	2.0
91.05479	3.5
93.03384	1.1
93.07053	4.2
95.04974	4.4
95.08606	1.8
97.02876	2.2
97.06557	0.8
103.05465	4.5
105.07030	4.3
107.04964	10.0
107.08580	1.2
109.02879	2.2
109.10135	0.9
111.04426	2.8
119.04927	2.1
119.08586	1.0
121.02899	1.5
121.06504	12.3
121.10149	1.7
123.04426	37.8
123.08027	1.2
123.11710	0.8
125.06078	0.7
127.03915	3.3
129.06998	0.7
131.04929	7.6
133.06503	1.0
133.10127	1.0
135.04428	6.4
135.11652	1.1
137.02339	14.9
137.05986	2.6
139.03900	100.0
140.04269	3.2
141.01804	0.8
141.04340	0.7
145.02837	1.0
147.04384	7.6
147.11678	0.9
148.04814	0.6
149.05983	26.6
151.03929	5.6
152.46526	0.8
153.01819	6.2
153.05408	0.7
153.12807	0.7
153.85588	0.6
155.07053	0.8
159.04439	5.9
160.05212	1.2
161.06001	3.8
163.03888	8.5
165.01862	3.7
165.05525	5.8
165.06937	1.1
167.07086	1.7
173.05910	1.1
175.03996	1.1
176.04491	0.7
177.05472	96.5
178.05862	0.7
179.07045	3.6
181.04930	2.9
181.06436	1.3
183.02864	1.8
187.07654	0.9
189.05428	1.0
191.03430	4.1
193.05034	3.3
195.08035	1.4
199.07552	1.1
201.05482	1.3
205.04962	0.9
209.06000	2.7
211.07497	0.6
213.05418	0.8
223.07509	2.3
225.05605	0.9
227.07098	2.2
229.08662	1.2
234.06837	0.7
237.05269	0.8
241.05083	1.1
251.07043	4.8
255.06470	3.1
269.08081	2.8
269.12646	1.4
273.07501	4.1
279.06519	12.2
280.06973	1.7
281.07086	1.4
285.07709	0.9
287.13672	1.0
291.08640	9.7
297.07581	13.3
303.04980	1.5
305.05487	0.7
305.10382	0.9
315.08615	69.9
316.08881	2.7
316.12375	0.7
327.08606	6.6
343.08188	1.1
353.52466	0.8
357.09790	3.4
449.12399	4.7
467.13943	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	467.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03947	1.3
55.01859	2.3
55.05505	0.9
57.35919	0.6
59.05016	1.1
64.43701	0.7
65.03945	1.3
67.05505	1.9
68.99784	2.4
69.03430	2.2
69.07065	1.1
71.05023	1.1
71.50671	0.9
74.20797	0.6
75.09851	0.5
79.05505	2.0
81.03414	2.9
81.07062	3.8
83.04974	1.4
84.76615	0.6
85.02889	2.0
91.05479	3.5
93.03384	1.1
93.07053	4.2
95.04974	4.4
95.08606	1.8
97.02876	2.2
97.06557	0.8
103.05465	4.5
105.07030	4.3
107.04964	10.0
107.08580	1.2
109.02879	2.2
109.10135	0.9
111.04426	2.8
119.04927	2.1
119.08586	1.0
121.02899	1.5
121.06504	12.3
121.10149	1.7
123.04426	37.8
123.08027	1.2
123.11710	0.8
125.06078	0.7
127.03915	3.3
129.06998	0.7
131.04929	7.6
133.06503	1.0
133.10127	1.0
135.04428	6.4
135.11652	1.1
137.02339	14.9
137.05986	2.6
139.03900	100.0
140.04269	3.2
141.01804	0.8
141.04340	0.7
145.02837	1.0
147.04384	7.6
147.11678	0.9
148.04814	0.6
149.05983	26.6
151.03929	5.6
152.46526	0.8
153.01819	6.2
153.05408	0.7
153.12807	0.7
153.85588	0.6
155.07053	0.8
159.04439	5.9
160.05212	1.2
161.06001	3.8
163.03888	8.5
165.01862	3.7
165.05525	5.8
165.06937	1.1
167.07086	1.7
173.05910	1.1
175.03996	1.1
176.04491	0.7
177.05472	96.5
178.05862	0.7
179.07045	3.6
181.04930	2.9
181.06436	1.3
183.02864	1.8
187.07654	0.9
189.05428	1.0
191.03430	4.1
193.05034	3.3
195.08035	1.4
199.07552	1.1
201.05482	1.3
205.04962	0.9
209.06000	2.7
211.07497	0.6
213.05418	0.8
223.07509	2.3
225.05605	0.9
227.07098	2.2
229.08662	1.2
234.06837	0.7
237.05269	0.8
241.05083	1.1
251.07043	4.8
255.06470	3.1
269.08081	2.8
269.12646	1.4
273.07501	4.1
279.06519	12.2
280.06973	1.7
281.07086	1.4
285.07709	0.9
287.13672	1.0
291.08640	9.7
297.07581	13.3
303.04980	1.5
305.05487	0.7
305.10382	0.9
315.08615	69.9
316.08881	2.7
316.12375	0.7
327.08606	6.6
343.08188	1.1
353.52466	0.8
357.09790	3.4
449.12399	4.7
467.13943	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	467.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	32.7
57.03426	14.9
69.03426	30.2
70.06587	5.6
71.04969	6.8
71.12914	12.3
71.13280	11.5
73.02928	8.9
81.03412	17.3
83.05036	7.7
85.02908	42.7
87.04450	6.0
97.02893	28.2
98.97597	44.1
99.04416	10.7
101.00875	19.2
101.40652	5.9
106.92741	5.4
109.02864	13.3
110.97578	8.4
112.99199	6.9
115.02411	17.2
116.07053	5.0
116.98627	33.4
117.03992	7.8
119.01919	66.1
127.03924	14.4
128.98643	12.2
129.03966	8.9
131.00209	9.1
131.01892	49.6
133.01733	6.5
133.03467	43.4
134.99690	16.1
135.05014	9.0
137.02969	7.6
143.00162	7.6
143.01900	35.3
143.03343	7.4
145.03522	35.4
145.05054	7.2
146.99632	11.7
149.02931	20.5
151.04494	7.2
153.01833	23.4
155.01878	38.8
157.03444	15.7
158.99637	14.2
159.03328	6.8
159.05020	40.4
160.07594	12.0
161.01619	9.5
161.02954	59.9
161.06520	7.8
163.02713	7.4
163.04256	10.9
165.40886	6.3
170.99657	6.6
171.04990	50.7
173.01749	7.1
173.03015	55.9
173.04456	11.3
173.06595	16.0
174.03012	6.0
175.02768	6.8
175.04465	11.4
177.00676	21.9
177.04340	15.7
177.06093	22.3
183.05000	11.4
185.03036	11.5
185.06625	23.4
187.00940	10.2
187.04605	10.6
189.00681	15.7
189.02388	8.7
189.06073	52.2
193.03586	7.0
195.05324	10.2
201.04382	7.0
201.06059	31.6
203.04018	20.8
203.07674	16.2
213.06039	12.4
215.00433	7.9
215.07675	11.7
217.01904	11.2
218.78246	6.0
219.01797	27.2
219.07175	21.7
221.05046	66.0
226.05931	9.6
231.02992	15.5
231.07114	14.5
233.03448	5.6
237.02789	33.0
243.06998	7.5
245.05049	17.4
257.00726	9.4
259.02463	30.0
259.06741	11.7
261.08258	61.3
263.06146	6.0
265.03873	6.9
273.08185	6.9
275.02048	8.4
277.03442	54.6
279.03873	15.3
279.09235	100.0
279.14099	10.1
287.01874	8.0
291.09152	8.5
293.10870	14.5
299.67245	6.0
303.01370	45.9
304.01721	9.1
305.02902	35.8
305.10831	7.5
307.08704	12.2
309.08170	7.8
315.01825	7.6
321.10577	61.8
333.03094	7.2
337.09592	11.7
339.09683	13.1
349.09033	7.1
351.06171	6.6
361.02548	6.4
365.14352	6.2
375.04025	21.0
379.01038	7.7
389.98300	7.1
393.05084	11.3
435.09769	30.8
449.11426	7.8
467.11649	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	467.1183
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
55.01864	0.9
55.31905	0.3
67.05500	0.4
69.03427	0.8
69.48302	2.0
70.06589	0.4
71.01346	1.2
71.04970	0.4
79.01855	0.7
81.03406	0.6
81.07069	0.3
83.01308	0.3
85.02913	1.1
91.05487	0.6
95.04939	0.5
97.02901	0.5
107.04950	0.4
111.00789	0.4
115.05459	0.5
119.04977	0.4
121.02864	3.2
123.04449	0.9
124.56142	0.3
125.02435	0.4
127.03892	1.0
131.04936	0.4
135.04376	0.4
136.07574	1.0
137.05992	1.0
143.03398	0.6
147.04411	1.1
149.02321	0.4
153.01820	8.1
153.02977	0.8
153.05437	1.8
157.06517	1.4
159.04439	0.6
160.05278	0.3
161.05980	1.6
162.30911	0.3
163.03857	0.5
169.06499	0.4
173.02196	0.3
175.03914	2.7
176.04686	2.1
177.05464	4.0
184.05185	0.7
185.06001	2.1
187.03894	13.6
188.04410	0.4
189.05450	0.7
197.06075	0.5
199.03880	0.6
201.05475	0.5
202.06256	1.3
203.03383	6.5
203.06944	0.4
212.04616	0.7
213.05446	17.6
214.05731	0.5
215.03307	1.6
229.04958	1.4
230.05727	10.4
231.06421	0.7
241.04941	10.4
254.05534	0.4
258.05225	26.4
259.05939	3.0
259.14355	0.5
269.04462	1.1
269.12820	0.6
287.05481	100.0
288.05856	2.6
303.08743	0.4
305.06531	63.0
305.14322	2.7
306.06863	1.3
342.54327	0.4
388.38818	0.4
467.12149	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	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03938	0.3
55.01868	0.4
59.04999	1.9
67.05485	0.8
69.03427	1.6
69.07057	0.5
69.70529	0.2
70.06580	0.2
70.69171	0.3
70.69515	0.4
71.05004	0.4
79.01849	6.7
79.05479	0.5
81.03410	1.1
81.04523	0.2
81.07047	0.7
83.04949	0.3
85.02893	0.5
87.00826	0.2
89.68146	0.2
91.05472	0.5
93.07021	0.4
95.04942	0.5
95.08608	1.8
96.08109	0.2
97.02882	1.4
97.06516	0.6
98.24477	0.2
98.52177	0.2
99.04429	0.2
105.07032	0.4
107.01321	1.3
107.04964	0.2
107.08591	0.2
109.02866	2.5
109.10148	1.9
111.04362	0.2
119.04872	0.2
119.08572	0.8
121.10128	1.2
122.05985	0.4
123.00748	0.3
123.04430	0.6
123.08058	3.1
124.07578	0.5
125.02338	3.3
125.09669	0.3
127.03908	2.0
137.05962	0.3
137.09587	1.4
139.03865	0.2
139.11157	0.3
141.09113	0.8
143.03384	7.9
147.08057	0.3
147.82468	0.2
153.01819	100.0
153.02841	4.3
154.02147	1.0
159.04353	0.2
163.03896	0.5
164.07074	0.2
164.46468	0.2
165.09113	1.4
177.05495	0.2
181.04953	0.3
183.10143	3.0
191.03450	0.8
212.09421	0.3
233.04335	0.2
237.03955	1.3
241.13362	0.6
245.38515	0.2
259.14392	0.5
261.04037	0.4
269.12903	0.6
271.05948	0.2
279.05142	0.5
287.05627	0.5
287.11060	0.2
287.13864	1.2
297.06100	0.7
303.04913	0.2
305.06467	0.4
305.14902	0.8
307.89526	0.2
345.15445	0.3
407.07452	0.2
449.01459	0.3
449.07251	1.3
467.09515	0.2
467.15274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02475	0.4
55.05497	0.6
57.07080	8.0
58.06571	1.6
59.93196	0.5
65.03917	2.0
67.05476	0.6
69.07038	1.1
70.06586	17.7
71.08616	2.9
71.38047	0.4
77.86854	0.5
79.05482	0.8
81.07024	1.0
83.42964	0.5
85.10117	0.8
88.07628	20.2
91.05463	0.6
93.07014	0.7
97.10206	0.7
98.20853	0.6
102.09185	14.5
107.08560	0.6
109.10143	0.9
121.02872	1.2
121.10141	0.6
121.87437	0.6
139.03882	1.6
149.02348	57.5
150.02713	0.8
193.04968	57.8
194.05379	0.5
207.49263	0.5
212.02843	0.5
212.23819	0.7
237.07574	66.8
238.07936	1.1
256.26355	53.2
257.26660	2.0
264.69510	0.5
300.28897	1.4
466.31653	100.0
467.31967	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	467.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.2
50.60792	0.1
51.02370	0.8
53.03947	0.2
55.01858	0.4
57.03418	0.2
61.02913	0.4
69.03432	4.3
71.01364	0.1
71.04984	0.3
71.50497	0.2
73.02910	0.2
79.01853	5.0
81.03407	1.5
81.04503	0.3
83.04964	0.2
85.02911	2.0
90.47495	0.1
91.05460	0.3
95.04959	0.3
95.06066	0.2
97.02889	2.2
98.97567	0.3
99.04456	0.3
107.01290	1.3
109.02888	0.9
114.35372	0.2
116.98615	0.2
117.07065	0.1
118.06593	0.2
121.02863	0.3
123.00761	0.3
123.04425	0.7
125.02346	3.4
127.02975	0.3
127.03921	6.1
135.04373	0.3
137.05969	0.2
139.03908	0.5
143.03394	7.3
143.08124	0.8
144.08086	4.9
145.02875	0.3
145.04984	0.6
145.06456	0.4
147.04420	1.1
151.03973	0.3
153.01830	100.0
153.02838	4.2
154.02211	1.3
161.06044	0.2
161.10760	0.7
163.03905	0.6
164.22871	0.2
169.09787	0.2
171.03009	0.3
171.04308	0.3
173.02365	0.3
173.05988	0.4
175.03906	1.4
179.03381	0.3
188.03758	0.2
191.03439	0.3
195.02869	0.4
199.03951	0.2
201.05496	0.6
203.03400	3.4
205.04796	0.2
211.03922	0.3
213.03874	0.4
214.03113	0.2
217.05020	0.3
219.02872	0.5
227.03433	0.5
229.04926	0.9
233.04549	0.2
237.03824	0.5
241.04956	0.5
245.04462	4.0
257.04446	3.4
259.06052	0.3
261.03989	0.3
269.04462	0.7
279.04956	0.9
279.14487	0.4
287.05499	1.2
293.09067	0.3
297.05972	0.9
305.06494	2.4
305.15067	0.2
323.13480	0.2
347.13666	0.2
380.87729	0.2
407.12140	0.4
449.07181	0.5
449.15564	0.2
467.08035	0.7
467.19043	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66671	1.3
55.01862	1.9
55.98897	1.3
57.03436	5.1
61.02911	3.3
67.05492	1.7
69.03431	15.4
69.07048	2.2
70.02580	2.6
73.02917	14.9
75.58112	1.3
79.05479	4.9
81.03418	2.0
81.07053	100.0
85.02903	23.0
87.04458	9.3
95.08599	8.1
97.02882	19.9
107.67867	1.3
109.02895	2.0
115.03927	18.4
121.16449	1.3
127.03934	6.8
133.04958	25.6
137.13251	48.3
138.13542	1.3
141.76138	1.2
145.04953	10.9
150.07668	2.1
163.06024	6.8
171.60280	1.2
180.03799	1.1
211.15071	1.2
241.07207	2.0
259.08087	5.5
277.09067	1.6
295.10181	4.9
333.06070	4.6
334.06406	12.3
335.06393	1.5
352.83752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83958	1.0
53.03944	2.6
53.62395	0.9
55.01870	1.3
55.05507	3.0
57.03439	7.6
57.07063	3.3
59.04984	1.9
61.02915	1.4
67.05503	6.8
69.03427	24.1
69.07061	7.3
69.34756	7.3
71.04974	2.2
73.02903	2.4
79.05489	9.1
81.03420	4.5
81.07053	100.0
82.07397	2.1
83.04979	1.9
83.08615	1.4
85.02905	15.7
85.06519	1.3
87.04465	12.7
91.05463	2.4
93.07038	4.7
95.04971	1.6
95.08602	24.3
97.02891	23.9
97.10170	1.7
99.04440	1.7
105.07024	2.0
107.08588	3.6
109.02861	2.6
109.06502	1.6
109.10135	4.9
111.11718	1.9
115.03928	30.1
119.08572	3.2
121.10130	2.2
123.04378	1.2
123.11743	2.6
125.09618	1.9
127.03897	5.4
131.04333	0.9
133.04959	29.9
133.10115	1.1
135.11678	2.0
137.06047	1.0
137.09639	1.0
137.12212	1.3
137.13245	24.8
139.11189	1.5
145.04903	4.9
145.10088	1.3
147.04398	1.1
147.11745	1.6
149.13274	2.1
150.07591	3.0
155.14291	1.5
157.10106	1.2
161.13298	1.7
163.06082	1.3
165.12773	1.1
167.44215	1.0
259.08218	1.3
277.09192	1.3
295.10303	1.2
304.05240	1.3
408.55875	1.1
466.28622	2.9
480.07172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01867	6.5
55.05505	6.0
56.05837	1.3
56.88519	0.8
57.03433	14.3
57.07065	3.4
58.15575	0.9
59.05000	1.9
61.02929	4.7
67.05509	10.4
68.05836	1.2
69.03426	26.8
69.07066	12.0
71.01337	2.7
71.04985	2.2
72.04520	0.9
73.02911	18.1
79.05486	10.8
80.05820	1.0
81.03422	7.1
81.07053	100.0
82.07368	1.5
83.04958	1.9
83.08618	1.9
85.02901	42.2
85.06514	1.9
86.09663	1.6
87.04453	6.5
87.12469	0.8
91.05479	5.5
92.05759	0.9
93.07035	7.9
94.07352	1.0
94.81622	0.9
95.04961	3.6
95.08604	38.6
96.08966	1.6
97.02881	27.8
97.06574	1.8
97.10159	3.6
99.04465	2.5
99.08108	2.4
103.03938	2.0
105.07029	6.3
106.07331	1.3
107.04942	1.6
107.08598	6.5
108.08929	1.0
109.02876	5.6
109.06494	2.9
109.10132	6.6
111.04464	1.6
111.08081	2.1
111.11701	6.8
115.03926	20.1
117.06987	0.9
119.08596	4.7
121.10121	4.7
123.04420	1.9
123.08047	1.9
123.11715	4.2
124.12057	0.9
125.09663	1.1
127.03913	13.1
130.07825	0.9
131.08566	3.2
132.06587	1.7
133.04959	22.8
133.06519	1.2
133.10100	2.9
134.10451	1.1
135.04402	1.1
135.08054	1.9
135.11674	3.3
137.02292	1.2
137.05974	2.0
137.09631	1.6
137.13249	55.1
138.13591	1.2
139.03883	1.5
139.11145	1.6
143.08452	1.2
145.04941	12.5
145.10088	2.1
147.08124	0.9
147.11647	3.3
149.09602	1.3
149.13297	2.2
150.07607	3.9
153.01865	1.6
153.12769	1.8
155.14294	17.9
157.10046	1.4
159.11688	2.1
161.09531	1.3
161.13181	1.4
163.06001	6.8
163.07182	1.1
165.12747	1.5
169.04974	1.1
171.11617	1.0
172.12022	1.3
173.13242	1.2
174.67590	1.0
189.16519	1.2
191.14241	1.1
193.04955	1.2
203.14226	1.1
211.14552	0.9
217.07141	1.0
221.15327	1.1
223.06088	1.3
233.15497	1.6
241.07150	2.5
251.16617	1.7
259.08093	2.4
269.17441	3.0
281.17587	1.3
286.22552	1.2
288.05737	0.9
295.10379	1.8
303.05087	1.0
304.05283	1.9
333.05838	1.8
334.06488	3.1
448.27524	2.4
466.28741	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	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.8
55.01868	7.3
55.05511	60.1
55.33805	2.1
57.03437	12.9
57.07067	7.6
65.03922	6.7
67.05506	72.7
69.03432	48.3
69.07066	74.6
71.01332	4.2
71.04990	11.8
71.08649	3.0
71.51797	2.9
73.02934	4.2
79.05495	50.3
81.03418	56.5
81.07056	100.0
83.04984	24.9
83.08608	18.6
85.02900	19.9
85.06540	11.5
91.05480	51.8
93.07037	73.3
95.04965	44.5
95.08606	91.9
97.02897	13.2
97.06541	18.5
97.10165	54.3
99.04458	16.9
99.08085	6.3
103.05464	2.5
105.04523	2.5
105.07029	70.7
107.04974	12.7
107.08591	69.2
109.02389	2.0
109.02905	23.7
109.06544	15.7
109.10150	54.1
111.04449	8.0
111.08088	12.8
111.11722	8.2
113.06039	3.8
115.05441	2.8
117.07025	16.2
119.08584	55.1
121.06475	11.9
121.10148	45.9
121.58771	2.4
123.04369	4.8
123.08086	17.8
123.11713	24.1
125.05985	4.8
125.09620	15.3
127.03906	19.3
127.11205	4.5
129.06943	10.8
131.08571	24.7
133.06508	4.0
133.10129	34.7
135.08034	13.1
135.11685	37.3
137.05937	5.4
137.09605	12.0
137.13257	8.7
139.03972	3.0
139.11148	16.2
141.05470	2.6
141.06911	3.1
141.09103	5.7
143.08583	10.5
143.10674	13.6
145.06502	4.5
145.10124	28.0
145.96593	2.5
147.08098	7.6
147.11679	30.1
149.06006	3.1
149.09616	9.4
149.13251	11.9
151.07530	10.6
151.11165	21.6
153.01865	19.2
153.05374	3.6
153.12772	5.1
155.03398	2.7
155.08559	6.2
157.10115	19.3
157.12167	4.7
159.08080	7.7
159.11684	26.6
161.09636	9.6
161.13260	15.9
163.07526	5.8
163.11198	15.7
163.14819	7.5
165.09137	8.6
165.12750	6.6
167.10680	2.9
169.10132	6.8
171.08113	3.4
171.11717	8.0
173.09554	4.2
173.13303	10.5
175.07535	2.3
175.11153	11.6
175.14853	9.9
177.09198	2.8
177.12764	9.5
179.10721	10.5
179.14307	4.8
181.12209	6.4
183.06474	2.2
183.11711	8.0
185.09676	4.0
185.13287	8.2
187.11232	4.7
187.14885	7.7
189.09236	2.7
189.11215	2.9
189.12775	5.9
189.14491	2.5
191.10695	3.1
191.14325	7.3
193.12257	21.0
197.13257	4.2
199.11189	2.7
199.14886	5.8
201.12706	3.1
201.16444	5.6
203.14337	5.7
203.18033	4.4
205.12428	3.5
205.15976	2.9
207.13953	2.8
211.13205	14.1
211.15050	2.5
213.12694	3.5
215.14362	5.1
217.15891	3.7
227.14499	3.6
229.16008	5.0
231.13733	3.0
233.15448	3.3
241.15825	2.7
246.85330	2.2
247.16949	3.1
255.15971	2.8
257.22742	4.9
267.15875	4.4
267.21048	3.8
271.17123	2.6
271.20377	2.4
274.61868	2.4
275.23734	4.2
285.11536	3.9
285.22153	9.0
293.24509	2.4
295.38837	2.2
303.01822	4.2
303.04929	19.3
303.12259	17.7
303.23181	21.1
315.22733	2.6
321.24298	3.1
327.23343	3.3
329.21271	3.9
373.23877	6.9
378.93295	2.5
383.25604	4.7
401.27222	2.7
411.25537	7.4
429.25870	11.0
447.27283	30.4
465.18765	3.7
465.28531	86.6
466.29239	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	465.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84707	2.7
53.03934	2.3
55.01871	8.4
55.05507	23.6
57.03433	9.4
57.07071	12.0
67.05497	23.9
69.07063	24.5
69.35151	21.7
71.08622	5.2
73.02903	8.1
79.05486	13.6
81.07043	21.7
82.07385	2.6
83.05002	3.4
83.08606	25.7
84.75757	2.3
91.05469	9.7
93.07042	10.5
95.05002	3.3
95.08604	13.2
97.06534	5.2
97.10183	11.0
98.98457	46.7
105.07046	3.5
107.08553	11.3
109.10158	10.4
111.11694	3.4
118.98574	2.2
119.08564	5.6
121.06588	3.3
121.10145	8.3
123.11710	5.8
124.44247	2.2
127.83167	2.2
133.10120	5.9
135.11697	7.6
136.99968	3.8
137.13228	2.2
143.08604	3.1
145.10078	2.7
149.13257	3.8
155.01033	41.5
157.10100	2.9
161.13293	4.2
168.64583	2.4
181.04942	4.4
189.16518	2.3
193.12309	3.0
222.36751	2.4
229.04921	3.4
234.45416	2.7
237.22156	10.9
301.81769	2.3
303.04907	10.8
304.05258	3.0
311.25806	100.0
312.26358	5.1
447.24780	15.5
465.29706	3.4
468.24481	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	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97236	1.9
53.03936	8.5
55.01861	5.7
55.05512	41.6
57.03432	24.6
57.07074	2.8
59.57898	1.8
60.43895	1.8
62.80296	1.9
65.03928	6.5
67.05505	86.1
69.03435	9.7
69.07066	32.8
70.71577	3.7
70.71918	2.7
71.01352	4.7
71.04992	11.6
77.03912	2.0
79.05491	79.0
81.02933	3.5
81.03416	72.4
81.07053	66.4
83.04978	30.0
83.08617	25.1
85.02896	35.8
85.06530	7.0
89.03868	2.1
90.74924	2.5
91.04908	3.0
91.05479	62.1
93.07043	87.1
95.04375	4.4
95.04964	59.6
95.08603	25.7
97.02887	5.7
97.06518	16.2
97.10165	19.6
99.04429	4.6
99.08082	4.2
100.20657	2.0
105.04528	3.7
105.07027	43.3
107.04956	9.9
107.08591	53.2
109.06487	12.0
109.10158	20.1
111.04447	3.9
111.08089	16.7
113.05994	4.1
114.48501	2.7
117.07010	11.7
119.08576	37.1
121.06512	8.7
121.10141	22.9
123.08072	5.7
123.11718	4.3
125.09626	7.4
129.07021	14.0
130.07794	2.3
131.08569	19.1
133.06494	3.3
133.10133	24.0
135.08058	5.0
135.11685	66.3
137.05956	2.9
137.09596	5.8
141.09192	1.9
142.07704	2.7
143.08583	3.9
145.10115	19.3
147.08047	4.7
147.11662	20.6
149.09622	6.3
151.11209	2.2
153.12779	3.1
157.10115	15.5
159.11752	4.8
160.88933	2.2
161.09615	2.3
161.13252	3.5
163.11124	15.2
165.12711	4.1
171.11758	2.2
173.13263	4.0
175.11182	16.0
181.12227	12.5
181.13710	2.0
187.11215	2.9
193.12234	74.8
207.99237	1.8
211.13281	78.3
211.15329	3.8
215.14366	2.4
229.12358	2.2
242.54913	2.0
249.14957	2.8
255.16040	5.9
267.15897	4.5
277.55569	2.5
281.49557	2.2
303.05087	7.7
303.23248	5.8
329.21106	6.4
355.22665	2.8
373.23663	9.0
403.24817	3.7
421.25754	4.3
447.27515	14.1
465.28497	100.0
466.29254	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27657	1.8
53.03948	3.0
54.87287	1.9
55.01873	3.2
55.05510	4.5
57.03428	2.4
57.07102	2.3
61.02917	6.4
65.03935	2.2
67.05504	6.3
69.03429	8.5
69.07064	3.4
69.30732	15.0
69.31139	3.6
71.04990	4.3
73.02910	3.9
79.05491	7.8
81.03411	9.4
81.07055	14.7
83.04991	2.4
85.02885	13.7
89.03918	3.4
91.03954	2.6
91.05476	8.8
93.07056	10.2
95.04967	8.7
95.08611	7.5
97.02903	6.4
97.06493	2.3
97.10170	3.0
103.05453	3.3
104.89802	2.0
105.07038	8.8
107.04950	10.0
107.08591	5.8
109.02848	4.5
109.10155	3.5
111.04436	2.8
112.61154	2.0
115.05488	2.1
117.03361	10.1
117.07026	4.3
119.04945	3.9
119.08614	3.8
121.02836	2.4
121.06496	6.6
121.10135	11.5
123.04400	11.1
123.08096	3.3
123.11741	4.5
125.05999	2.7
127.03908	16.6
127.58914	2.2
129.07021	6.2
131.04944	4.8
131.08589	6.5
133.10135	4.0
135.04407	4.5
135.08055	5.1
135.11693	6.6
136.12067	2.3
137.02286	5.0
137.05962	6.5
138.05519	12.1
138.09154	6.2
139.03897	2.9
139.11131	3.2
140.04724	4.1
143.08553	2.8
145.02850	21.2
145.10107	3.3
147.04413	3.6
149.05980	8.0
149.09628	2.7
151.03909	5.8
151.07542	6.8
153.01831	7.4
153.05511	3.4
155.07036	7.4
157.06508	6.2
159.11626	3.7
161.05974	17.0
161.09641	6.4
163.03957	3.7
163.07573	6.3
163.11267	2.6
165.09082	4.1
166.04997	20.3
166.06206	3.0
167.07045	32.8
167.10710	3.6
170.37039	2.0
173.06001	2.5
174.06775	3.9
175.07535	6.7
177.05464	43.1
177.06902	3.2
177.09125	2.1
180.03789	1.8
181.05016	4.3
181.08583	21.3
189.09105	29.4
195.08092	2.7
197.09657	2.9
201.05383	3.2
207.10217	5.9
213.72562	2.1
219.10179	4.8
223.07578	3.8
223.11240	3.1
225.08992	3.8
229.04958	8.6
232.13264	3.0
239.06705	3.0
242.11809	4.1
251.07016	3.6
253.08708	3.9
257.04367	4.3
257.12784	6.4
260.12860	2.9
272.11609	8.4
274.09485	6.5
275.13898	5.3
283.09692	2.5
285.12421	16.9
303.04996	100.0
303.07974	4.1
303.13364	87.2
304.05304	5.7
304.13504	2.5
311.12714	2.8
315.05182	3.7
315.12366	4.3
317.13892	10.1
342.14816	2.5
343.15308	13.9
345.06128	3.1
360.15598	12.6
361.16443	35.3
366.57843	2.2
403.16959	2.8
435.20023	2.7
447.09506	3.2
465.28128	2.3
473.95584	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	465.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32615	1.3
53.03936	2.3
55.01880	3.4
55.05497	4.8
57.03424	4.3
57.07050	2.2
58.08493	1.2
59.04988	4.2
67.05512	7.1
69.03426	10.9
69.07053	3.0
69.74450	3.4
69.74864	6.8
71.01362	1.5
71.04990	12.0
73.02888	1.9
79.05479	5.6
81.03401	4.9
81.07049	15.4
83.04974	10.0
85.02893	9.1
85.06530	5.6
87.00453	1.2
91.05459	2.7
93.07052	8.9
95.04958	5.0
95.08586	6.8
97.02885	7.5
97.06514	3.8
97.10160	3.4
101.06013	2.8
105.07014	4.3
107.04982	2.9
107.08588	11.4
109.02865	2.6
118.06561	1.6
120.08091	2.9
121.10136	36.0
122.06026	1.8
123.04419	3.5
123.08035	2.1
123.11698	10.5
124.03941	1.9
124.07597	1.4
125.05991	6.2
125.09618	17.4
127.03897	2.2
130.06535	2.6
132.08058	2.1
134.05989	3.0
134.08350	1.4
135.04463	1.8
136.07544	1.9
137.02400	1.7
137.05930	2.6
139.03883	2.5
139.11177	9.0
140.07045	2.5
143.10663	30.4
144.08115	3.3
145.04961	2.1
146.06041	5.7
147.04457	2.0
148.07574	6.3
149.09546	6.5
150.09998	1.6
151.03902	3.9
152.07018	4.0
153.01820	3.9
160.07550	2.5
161.05968	2.0
162.05534	3.2
163.03909	1.7
167.07103	4.0
167.10670	17.4
168.06593	3.4
173.07236	2.0
174.07880	2.6
175.08656	1.8
176.07109	2.2
178.08612	3.2
184.07652	1.6
185.11794	4.6
187.08658	2.3
188.07059	2.8
194.08145	3.6
196.09885	1.8
197.12747	1.3
198.09148	1.8
199.08597	2.7
201.10228	4.5
214.08670	3.4
214.10992	3.5
215.08385	1.8
215.11794	5.1
225.10168	2.5
226.10832	1.7
227.08107	2.2
227.11830	5.7
228.12512	2.8
229.09738	6.1
232.09770	2.8
239.11787	3.8
241.09709	2.7
242.10429	3.1
243.08936	2.4
243.11316	2.4
247.06383	1.5
251.11919	1.8
253.13347	2.4
255.11278	10.6
256.12054	2.6
257.12903	4.6
267.11285	4.4
267.37109	1.6
269.09140	2.9
269.12830	6.2
271.14670	2.0
273.12326	3.5
274.13144	2.3
275.13977	2.5
279.10983	1.4
281.12802	3.1
285.12375	4.5
285.16800	1.9
286.13214	2.0
287.13867	6.6
297.12329	6.4
298.13037	2.8
299.13940	14.3
301.11972	3.1
303.01587	2.8
303.05020	7.1
303.13278	9.9
309.12463	2.1
311.14340	3.3
315.13345	36.9
316.14157	20.7
317.14838	3.7
329.15616	3.1
343.12915	6.4
351.13663	1.6
355.16541	2.9
357.14355	4.0
365.15079	2.2
369.14273	2.0
373.13916	2.3
375.15485	15.4
376.15775	1.4
383.15955	3.5
387.15576	2.8
393.14615	4.3
399.15524	12.9
401.17462	2.0
403.15216	2.0
411.15445	13.1
411.44574	1.7
419.18192	3.1
429.16562	38.9
429.22229	2.5
430.16739	2.0
447.17606	75.8
448.18018	4.5
459.37845	1.6
465.08072	3.0
465.18671	100.0
466.18954	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68458	0.4
57.03428	1.1
69.03400	1.8
71.04978	1.0
71.11591	1.1
79.05469	0.6
81.03395	1.1
81.07011	1.4
83.04961	0.6
85.02900	5.9
86.03219	1.2
91.05463	0.6
93.69439	0.5
97.02880	1.9
98.03226	0.5
99.04453	0.8
105.06956	0.6
107.04935	0.7
107.08591	0.7
109.02838	1.1
119.08561	0.5
121.10139	2.5
123.04366	1.0
123.08077	0.5
123.11671	0.6
125.09577	0.8
127.03905	2.0
128.04239	0.7
132.08073	0.6
134.06032	0.6
137.02301	0.5
139.03899	1.6
139.11133	0.6
145.04936	2.8
146.05167	0.7
148.07518	0.9
149.09569	0.5
153.01802	0.6
160.07544	0.8
161.07152	0.6
162.05461	0.8
163.06013	1.2
164.06308	0.5
167.10635	1.6
171.07870	1.0
172.05029	1.0
172.08690	10.2
173.09401	1.4
174.10231	0.6
175.08665	0.5
185.11752	1.1
186.10266	2.6
187.07384	7.1
188.08203	0.8
198.06532	0.9
199.07378	4.4
200.08234	3.4
207.06560	0.6
215.11880	0.8
216.07668	10.3
216.10066	2.1
229.07135	0.6
229.09615	0.6
239.11613	0.8
241.09596	0.7
243.08759	100.0
244.09532	53.0
245.09999	1.0
247.52065	0.5
255.11314	1.2
257.10318	5.5
267.11224	1.2
269.12799	0.7
273.12296	0.6
285.03934	0.5
285.12305	1.7
296.06204	0.6
297.12299	1.1
299.13971	1.9
302.13181	0.5
303.04984	4.1
303.13345	1.6
311.14932	0.6
315.13306	3.5
316.14117	1.9
327.13217	1.0
329.15982	0.8
357.14005	0.5
361.14218	0.8
362.13293	1.4
375.15753	1.2
377.14468	1.0
378.15314	72.9
379.16049	32.3
380.16690	0.8
399.15320	3.0
411.15298	1.2
429.16632	4.5
430.12628	0.7
447.17307	7.8
448.13785	0.9
465.18646	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	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01863	4.4
57.03421	2.1
61.02934	1.5
62.79824	1.1
66.16012	0.9
67.05490	2.7
68.99786	2.9
69.03423	4.1
69.43349	6.4
69.43765	2.4
70.06596	1.4
71.04984	1.7
77.03913	1.6
79.05490	1.7
81.03419	2.8
81.76228	1.0
83.04980	1.3
85.02910	4.9
88.10744	1.2
91.05472	2.5
93.03432	1.4
95.01325	1.6
95.04964	2.4
97.02886	2.6
97.06504	1.2
99.04423	1.1
105.03385	2.6
105.07014	1.0
107.04950	3.3
107.08586	0.9
109.02872	2.6
111.00834	1.3
111.04425	4.0
116.98576	1.0
119.04923	1.8
120.18481	0.9
121.02852	3.2
121.06489	1.6
123.04424	100.0
123.08025	1.4
127.03905	24.1
130.06584	1.0
131.04913	1.9
134.03635	1.4
135.04413	15.4
135.05428	1.7
137.02316	3.3
137.05975	8.8
139.03899	30.0
141.06940	0.9
143.03493	1.2
144.08095	3.6
146.06015	4.4
147.04405	4.3
149.02284	1.8
149.05997	3.6
150.03131	2.5
151.03882	12.2
153.01830	7.5
153.05453	2.8
160.07568	2.5
161.05963	2.9
163.03897	19.5
165.01842	2.8
165.05511	4.6
165.06812	0.9
167.03481	6.3
167.04732	1.1
167.07028	3.0
169.06454	1.1
173.05997	1.6
175.03905	3.3
175.08742	1.4
177.01869	6.1
177.05470	2.3
179.03406	9.0
179.07002	1.6
181.06546	1.0
187.03831	2.3
189.05388	1.4
191.03369	8.8
191.05014	1.3
193.04910	2.1
194.01848	1.1
195.02892	5.4
197.05925	2.0
200.07161	2.2
201.05490	2.3
203.03400	3.8
203.07039	1.2
205.05023	3.0
206.08414	2.4
206.39169	1.0
207.04497	1.0
211.12227	1.5
215.03488	1.6
215.07161	1.1
217.04878	1.6
218.09789	1.2
219.02905	7.5
219.06508	1.7
220.07591	1.7
221.04459	1.4
221.08176	1.4
222.09158	1.1
223.02388	11.0
225.05431	2.4
226.08604	1.4
229.04971	3.1
231.02855	3.2
233.04407	4.9
234.09190	2.3
235.02307	1.4
237.07545	1.4
239.11824	2.5
240.10220	1.2
243.06590	2.0
246.09131	2.1
249.07816	1.2
250.08655	2.2
252.06575	3.0
252.10240	1.1
253.04865	1.3
254.08069	2.0
255.06563	2.8
257.04486	1.3
259.02344	2.7
261.03912	4.1
261.07687	1.3
262.08762	2.2
264.10117	2.9
265.07349	1.9
266.08121	2.4
267.11386	5.0
268.09723	6.4
271.06018	46.7
272.06757	17.5
273.07657	4.5
274.08704	1.2
275.01999	2.3
275.09280	1.3
277.03430	2.8
278.08173	2.5
279.04987	15.0
279.08524	2.0
280.09610	5.1
282.11224	2.1
283.05835	1.2
285.12402	6.9
289.06937	2.4
292.09735	5.2
295.04694	1.2
296.09158	16.4
297.06146	5.0
298.10767	3.7
299.01910	1.2
299.05316	1.0
301.03348	1.2
303.01340	7.2
303.04968	16.6
303.13385	11.2
304.09552	1.2
305.09985	1.0
307.04477	2.6
310.10687	7.6
311.05469	1.3
311.08981	1.3
313.11740	2.6
315.01416	1.1
319.04501	3.7
321.11288	1.6
325.05511	12.5
327.01102	1.0
327.13394	5.4
337.05597	4.0
339.05008	1.5
351.09097	1.1
355.04236	1.1
367.08197	1.2
411.07086	2.0
420.14728	4.5
429.08115	3.0
430.12881	3.2
447.09268	2.7
448.13895	27.7
465.09665	2.8
465.19647	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Larycitrin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01852	1.7
55.05492	0.8
57.03429	3.1
61.02927	1.0
67.05499	1.2
68.31249	0.6
68.99772	0.6
69.03427	3.2
69.07095	0.5
70.22871	1.4
70.23260	1.2
71.01346	0.7
73.02899	2.1
81.03382	1.1
81.07047	2.4
81.40037	0.5
85.00192	0.6
85.02870	2.2
93.06992	0.9
95.04965	1.8
97.02892	1.1
97.10159	0.8
105.07027	0.7
107.08605	1.0
109.02848	1.4
109.10100	0.8
112.25981	0.6
115.03894	0.7
118.21419	0.5
118.40825	0.5
119.08580	0.7
121.10090	0.9
123.04422	0.7
125.02328	2.5
130.54387	0.6
133.04932	1.0
133.48108	0.6
137.02338	0.9
139.03824	0.9
141.05423	1.4
149.13586	0.6
151.03873	1.6
153.01802	3.3
165.01826	1.4
167.03395	9.6
179.03381	4.2
180.03970	1.1
197.04459	1.9
203.07089	1.1
209.04491	0.9
231.06529	2.2
259.05969	5.1
283.05890	0.7
287.05515	4.5
290.04297	1.5
303.04922	1.1
304.05746	1.6
315.05017	1.4
318.03827	0.9
333.06018	100.0
334.06277	3.0
465.28458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Larycitrin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
54.48685	0.2
55.01871	0.5
55.05498	0.7
57.03433	5.2
60.86548	0.2
61.02930	1.5
65.03928	0.4
67.05480	1.0
69.03413	1.5
69.07064	0.8
69.84435	1.5
69.84846	0.5
71.01357	0.3
73.02515	0.6
73.02916	11.0
79.05490	0.6
81.03412	0.9
81.07054	2.0
83.04962	0.5
85.02887	1.0
85.06556	0.4
91.05475	0.9
93.07040	1.5
94.07359	0.3
95.04964	0.9
95.08611	1.5
95.93850	0.3
97.02895	0.7
97.06532	0.3
97.10171	0.9
105.07023	1.0
107.08564	1.2
109.02859	1.2
109.06557	0.3
109.10135	1.1
111.04425	0.4
115.03934	0.9
119.04971	0.3
119.08562	0.9
119.09842	0.3
121.10126	0.5
123.04394	0.6
123.08079	0.3
123.11736	0.7
125.02357	2.5
125.09583	0.5
127.03909	0.4
131.08562	0.3
133.04984	0.5
133.10149	0.4
135.11671	0.9
137.02348	0.7
137.05948	1.0
137.09665	0.4
139.03891	0.9
141.05452	0.6
143.10680	0.3
145.10092	0.4
147.11711	0.5
151.03915	2.4
151.07489	0.3
151.11241	0.3
153.01837	2.7
159.11720	0.6
161.05959	0.3
161.09521	0.3
161.13208	0.4
165.01825	1.5
165.09244	0.3
167.03404	7.8
171.11797	0.3
175.07602	0.6
177.05438	0.3
179.03366	3.0
180.04164	0.5
193.04955	0.5
193.43961	0.3
197.04486	1.4
199.14937	0.3
203.03436	0.4
203.07018	0.9
209.04437	0.7
213.05434	0.4
216.04158	0.6
217.04945	0.3
229.04955	0.5
231.06508	3.2
233.04428	0.3
235.02359	0.4
235.06227	0.3
241.04849	0.4
244.03831	0.7
258.05167	0.4
259.06024	4.6
269.04425	0.6
277.07199	0.3
287.05511	3.3
289.03442	0.3
290.04257	1.2
294.89026	0.3
303.04959	0.7
304.05872	1.4
315.04980	1.0
318.03818	0.8
333.06033	100.0
334.06360	2.6
343.04327	0.5
350.40005	0.3
357.06226	0.3
387.06912	0.4
429.09378	0.3
465.09830	0.4
465.28391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.60722	0.5
57.03428	0.6
60.92435	0.5
61.02927	5.2
69.03418	1.6
69.38138	1.3
69.38545	4.0
73.02909	1.3
81.03394	1.0
85.02908	7.4
91.03957	1.7
94.71581	0.5
97.02834	2.8
98.21513	1.2
109.02862	0.8
111.00797	0.9
127.03941	1.4
137.02350	3.3
153.01833	4.1
163.03793	0.8
165.01837	2.3
183.02876	0.9
183.04361	0.9
201.05463	2.2
202.77298	0.6
229.04924	5.0
247.06085	0.8
257.04471	2.9
274.04730	1.0
285.03909	1.5
303.04977	100.0
304.05310	2.0
359.44757	0.7
372.96924	0.6
401.15610	0.6
425.17719	0.7
453.87442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.02288	0.4
53.59296	0.4
55.01871	1.0
57.03423	0.7
61.02926	3.6
68.65719	0.4
68.99767	0.7
69.03440	2.0
69.38267	4.0
73.02908	0.9
81.03398	1.2
85.02441	0.7
85.02905	7.9
88.14448	0.4
91.03951	1.9
93.03388	0.7
97.02892	3.0
109.02871	0.6
111.00815	0.6
111.07938	0.4
121.02890	1.0
121.66142	0.4
127.03893	1.5
137.02347	3.4
140.61449	0.4
143.71448	0.4
145.04910	0.5
149.81209	0.4
153.01810	4.2
163.03900	0.7
165.01826	1.9
201.05450	1.6
217.21698	0.4
229.04973	4.5
247.06053	0.7
257.04382	2.2
274.04730	0.5
285.03894	1.5
303.04980	100.0
304.05331	1.2
369.43405	0.4
374.11917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.6
67.00548	1.4
69.03423	8.9
69.18351	2.2
69.18687	20.1
70.06570	2.4
81.03406	2.7
85.02900	7.3
89.67626	1.6
92.21021	1.7
97.02895	4.2
103.03945	2.2
109.02849	2.2
115.05450	2.2
118.41386	1.9
123.04436	3.9
127.03880	9.2
130.06464	1.9
139.03905	2.1
151.03838	2.3
152.60747	1.7
153.01854	4.6
159.04366	2.0
160.04082	1.7
160.07574	6.3
163.03902	2.0
171.04402	5.4
177.10219	2.1
185.02335	1.7
187.03922	4.4
199.03905	6.9
201.01813	2.0
203.03403	3.1
205.05005	2.0
215.03441	6.5
217.04874	2.1
227.03410	9.6
229.01230	2.4
231.02908	5.8
243.02824	9.0
245.04491	3.3
247.02502	5.1
255.02885	8.4
257.00787	5.3
259.02405	6.8
261.03870	2.8
267.11267	4.2
269.04425	3.2
271.02441	11.1
273.03943	9.4
275.01971	6.4
277.03513	8.0
283.02475	5.4
285.00238	3.8
285.12430	3.2
289.03488	8.3
297.03812	3.3
299.01816	30.1
301.03394	17.6
303.01346	59.2
303.04800	3.8
303.13254	9.3
313.03574	4.8
315.01434	14.3
315.04791	3.3
317.02933	4.7
327.01358	11.9
328.99396	2.9
341.03009	5.2
343.04504	5.6
345.02380	100.0
369.02438	2.9
381.02255	2.5
405.09644	4.0
411.03351	2.5
423.10828	2.2
465.06403	9.1
465.15555	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	464.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01871	7.9
55.05495	3.9
57.03434	21.8
57.07079	1.4
61.02930	9.8
61.44221	1.3
67.05504	4.0
69.03425	33.5
69.07059	3.5
69.63044	5.8
69.63457	3.9
71.01363	2.5
71.04985	3.4
73.02914	32.4
76.80799	1.3
79.05488	20.1
81.03391	7.1
81.07045	7.7
81.71973	1.3
83.04998	1.8
85.02901	100.0
87.04457	10.3
91.03944	2.7
91.05473	11.8
93.07037	56.3
94.35760	1.3
95.04941	3.3
95.08588	4.4
97.02888	41.3
97.10188	1.7
99.04454	4.2
103.03932	4.9
105.07036	8.6
107.08585	40.4
108.08904	1.7
109.02863	11.7
109.06470	1.5
109.10162	3.7
112.19424	1.3
115.03931	23.3
117.07047	1.7
119.08571	4.4
121.10152	5.0
123.04451	1.5
123.08083	1.6
123.11696	1.8
127.03908	23.6
129.06964	3.0
133.04959	34.3
133.10120	9.9
135.11688	86.1
145.04942	26.9
147.04379	1.8
149.09529	1.7
150.07600	4.1
159.11691	3.0
161.09749	1.6
163.06000	8.5
167.10707	1.7
177.12834	1.9
223.05995	3.5
223.58580	1.6
241.07053	2.6
259.08145	3.1
295.09979	1.5
301.06985	2.1
302.07596	8.0
464.26944	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	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01872	10.5
55.05488	4.3
57.03434	16.9
59.04993	2.4
61.02916	8.9
67.05492	2.9
69.03425	33.1
69.07046	4.2
70.57322	1.7
70.57680	5.2
71.01344	4.3
71.04972	2.1
73.02912	32.5
78.58559	1.5
79.05495	20.5
81.03407	6.6
81.07047	6.8
82.20862	1.8
83.47345	1.6
85.02900	100.0
87.04455	7.2
91.05466	10.8
93.07043	54.7
93.07537	1.1
93.07635	2.2
95.04966	4.4
95.08587	5.2
97.02890	41.9
97.06534	1.8
99.04429	6.5
103.03925	3.2
105.07022	8.3
107.08585	35.2
109.02865	8.5
109.06499	2.7
109.10147	2.6
115.03932	21.9
117.07018	2.4
119.08567	4.3
121.10114	4.4
123.04382	1.5
123.11690	2.2
127.03911	22.3
128.06175	1.7
129.06998	2.8
132.06549	2.0
133.04955	28.6
133.10107	11.0
135.11681	80.8
143.08569	2.2
145.04941	27.0
147.11678	2.6
150.07596	4.7
159.11668	3.1
163.05949	8.7
177.12718	2.6
189.12837	1.5
191.14360	2.2
219.13629	1.5
223.06001	4.3
241.07039	4.1
251.11946	1.5
259.08115	4.5
301.07050	3.1
302.07401	8.2
307.35168	1.6
318.07254	1.9
464.26260	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	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01873	3.9
56.96556	2.7
57.03437	6.7
59.26761	0.7
61.02909	5.5
65.07528	0.7
67.05489	2.5
67.07832	0.6
69.03426	19.1
70.06599	1.0
70.76640	2.7
71.01349	1.1
71.04988	4.3
73.02918	6.1
79.05463	0.7
81.03419	7.2
83.04979	1.2
83.66972	0.7
85.02898	31.5
85.06496	0.9
87.04460	5.0
91.03949	2.9
91.05494	1.2
94.81876	0.8
95.04987	0.9
97.02311	1.3
97.02887	13.9
98.06038	3.0
98.97576	6.4
99.04449	5.8
101.00874	1.2
101.02358	1.1
106.06553	1.4
108.08109	15.4
109.02882	3.4
109.08907	2.2
110.97581	1.0
112.99141	2.4
113.00921	0.7
115.02430	1.1
115.03960	1.4
116.07080	2.5
116.98613	3.2
117.05711	1.7
119.01933	2.6
119.04959	1.2
120.08137	0.8
123.06793	1.8
124.07587	2.9
127.03918	8.3
128.98592	2.3
130.06543	1.4
131.00195	4.8
131.01883	1.8
131.07268	1.9
132.08072	3.0
133.03461	4.3
133.05116	2.3
134.04112	0.8
134.06026	6.7
136.07570	30.5
137.08371	10.7
138.05473	1.9
140.07083	1.6
143.00146	1.0
143.01855	1.8
145.01682	1.5
145.03560	1.8
145.04951	6.7
146.04996	1.3
146.06023	1.9
146.09608	1.3
146.99631	1.8
147.03151	0.8
147.05037	2.3
147.06770	3.2
147.07793	0.8
148.07559	21.2
148.08733	1.3
149.01212	1.5
149.08305	1.2
150.05576	1.1
150.09148	2.7
152.07054	18.9
153.01845	0.9
153.07784	1.5
153.21362	0.8
153.48425	0.8
154.08647	2.5
155.01874	2.2
155.05513	1.0
156.08043	1.0
157.03450	2.0
158.09676	0.8
158.99623	1.8
159.05005	2.0
159.06856	1.3
160.07587	11.1
161.02979	4.4
161.05539	1.5
161.08403	1.1
162.05460	8.8
162.09132	2.4
163.04414	1.2
163.06216	1.1
164.07048	13.7
165.05527	1.2
166.08617	5.5
168.03651	1.3
169.04443	3.6
169.54626	1.1
170.08078	3.7
171.05014	3.2
172.07622	0.9
173.01427	0.8
173.02969	3.1
173.08356	3.1
174.09123	11.3
175.02835	1.6
175.04474	2.1
176.07072	19.1
177.00780	2.2
177.04181	1.7
177.06030	1.2
177.07800	2.2
178.04927	8.8
178.08575	7.0
178.55156	1.3
180.06558	8.6
182.08148	7.5
183.05083	0.9
184.07568	2.7
185.02890	1.3
185.06525	0.8
187.02914	0.9
187.04544	2.0
188.07025	5.0
189.06059	4.2
190.08647	2.1
192.06516	1.3
192.10236	1.7
193.03830	1.6
194.08093	7.0
199.04578	1.4
200.07086	1.7
201.04361	0.8
201.06062	2.6
201.07748	0.9
202.08620	23.1
203.02194	1.0
203.03987	2.3
205.03813	1.2
206.08098	6.8
211.04782	2.1
212.07141	2.0
212.09138	3.1
212.57079	0.9
218.08014	4.3
219.01743	3.8
219.07249	1.2
220.02167	1.3
220.09677	8.0
221.05019	4.6
222.05186	1.1
223.05045	1.1
224.09178	7.5
227.07544	2.0
230.08093	17.2
231.02896	1.5
231.07172	1.8
235.08806	1.2
235.10983	1.3
236.07187	2.5
236.09450	4.7
237.02829	5.0
238.10762	1.1
245.05113	3.2
247.02306	1.0
247.06677	0.8
248.09190	17.1
249.06300	1.8
250.07033	1.6
254.10152	1.2
255.06958	0.9
259.02411	3.4
259.06686	4.5
260.06894	2.1
261.08170	1.3
264.07358	1.1
266.10248	12.2
277.03409	7.2
279.09314	0.8
280.03787	0.8
280.07950	1.0
281.05536	1.0
284.11279	8.1
285.00406	1.2
291.09271	3.5
302.00595	2.2
302.12280	4.9
303.01297	7.9
303.15512	6.4
305.10852	2.3
307.08661	1.5
308.09436	3.6
309.10349	2.9
314.12332	2.4
315.60910	0.8
316.08710	4.1
316.59171	1.8
317.09854	17.8
317.60156	3.5
318.07312	1.5
318.10532	6.2
319.08698	2.2
321.10300	6.6
322.10422	1.8
332.13394	9.9
335.07562	1.0
336.08249	1.3
337.08240	2.8
344.13416	1.7
351.11340	1.7
355.09106	2.2
374.14313	1.7
386.14368	4.4
398.14273	1.6
404.09464	2.0
404.15533	2.5
410.14548	7.7
422.10538	1.6
428.15497	11.2
446.16562	58.4
447.16983	1.7
464.17627	100.0
465.20236	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01865	4.4
55.05510	22.7
57.03434	7.6
57.07051	1.4
65.03931	4.9
67.05503	75.5
68.05836	1.7
69.03413	2.1
69.07063	25.6
69.79852	7.0
71.01323	1.4
71.04995	6.2
71.08633	1.3
79.05490	51.5
81.03421	6.2
81.07052	100.0
82.07381	2.2
83.04981	9.5
83.08618	15.8
85.02913	1.7
85.06532	4.7
86.06017	1.2
91.05472	31.5
92.05782	1.6
93.07040	74.7
95.04970	9.9
95.08598	26.7
97.06531	14.9
97.10151	4.5
98.09694	5.5
98.20686	1.2
99.04438	1.6
99.08070	3.0
103.48064	1.0
105.04520	1.9
105.07026	16.9
105.33683	1.1
107.04929	3.1
107.08588	39.6
107.09316	2.3
109.06503	5.4
109.10152	8.3
111.08105	7.0
112.75899	1.1
113.09666	1.4
117.07018	13.4
119.08581	8.1
121.06488	4.4
121.09328	2.1
121.10134	24.4
123.04438	1.3
123.08054	2.6
123.11660	2.3
125.09629	1.7
129.07016	2.4
131.08556	13.3
133.10106	11.2
135.08076	2.3
135.11690	18.2
137.09587	1.2
139.11148	2.1
143.08527	2.7
145.10097	5.4
147.11678	4.8
149.13248	42.5
151.11143	3.1
153.12666	1.6
156.03256	1.2
157.10121	1.7
159.11702	17.0
163.11174	5.2
165.12749	1.4
167.14323	2.3
177.12726	8.8
181.12167	2.4
193.12254	1.5
195.13811	12.9
196.07361	3.7
213.14877	3.9
215.29840	1.2
227.12726	4.5
269.17593	1.9
301.07071	2.0
366.26285	1.1
371.25339	1.9
410.48322	1.4
427.28268	1.2
435.85321	1.2
445.29602	3.0
463.30804	54.1
464.24164	3.5
464.30298	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.0
53.03940	6.5
55.01861	3.0
55.05507	21.4
57.03433	7.0
57.07066	3.3
65.03916	3.0
67.05499	76.0
68.57724	1.0
69.07063	26.1
71.04983	6.3
71.51577	1.3
73.02894	1.7
79.05486	48.5
81.03405	4.4
81.07049	100.0
82.07351	1.7
83.04976	9.3
83.08611	14.9
85.02878	1.8
85.06544	4.4
88.56503	1.0
91.05478	29.2
92.05795	1.1
93.07037	72.6
95.04965	8.0
95.08602	28.6
97.06521	13.7
97.10163	1.1
99.08077	3.8
105.04422	1.0
105.07023	13.3
107.08580	37.0
109.06526	4.2
109.10150	5.5
111.08070	9.3
117.07009	11.3
119.08557	4.0
121.06494	2.5
121.10127	20.2
123.08042	1.3
123.11703	3.6
125.09657	2.3
129.06960	2.8
131.08554	13.1
133.10136	12.8
135.08032	3.5
135.11685	12.3
139.11201	2.5
143.08588	1.5
145.10077	1.1
147.11681	4.2
149.09627	1.1
149.13252	50.8
150.62146	1.0
151.11160	2.0
154.97731	1.3
157.10173	2.0
159.11684	19.3
159.12903	1.9
167.14296	1.3
171.11679	1.3
177.12686	9.1
195.13789	21.3
212.39079	1.2
213.14801	3.0
219.14252	1.0
239.05898	1.1
296.53958	1.1
301.07013	3.1
317.06461	1.4
371.25784	2.1
389.26804	1.8
445.29172	5.1
463.30496	74.3
464.31076	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01861	3.1
55.05513	21.2
57.03425	5.9
57.07068	3.3
57.35907	1.7
65.03928	4.5
67.05502	77.8
69.07072	26.2
69.85535	6.3
69.85941	4.7
71.04982	4.9
72.75526	1.8
79.05490	49.6
81.03401	3.0
81.07053	100.0
83.04990	7.5
83.08625	19.9
85.06515	2.9
91.05472	29.0
93.07042	67.7
95.04949	7.8
95.08607	19.5
97.06521	14.7
97.10123	2.3
98.21416	2.7
99.08092	5.5
105.04486	2.1
105.07011	13.0
107.05009	2.2
107.08591	40.0
109.06496	5.4
109.10138	7.0
111.08047	8.7
113.09684	2.1
117.07028	10.3
119.08579	8.5
121.10146	25.2
123.11693	3.1
131.08569	16.8
133.10112	13.1
135.07970	2.4
135.11676	14.7
147.11705	2.5
149.13246	47.6
151.16655	1.9
159.11694	18.0
177.12737	8.5
179.19753	1.8
184.96375	2.2
195.13818	16.5
235.06432	2.0
243.57332	2.7
271.49774	2.3
286.04648	6.5
301.06989	11.4
353.24655	2.7
389.26724	2.4
445.29712	3.5
453.17679	2.2
463.30508	55.7
464.31232	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03947	5.3
55.01863	3.6
55.05509	18.5
57.03443	7.8
57.07066	4.2
65.03944	3.4
67.05502	80.8
69.03427	1.8
69.07068	28.9
69.50731	7.8
71.01376	1.1
71.05000	4.9
71.08616	1.0
79.05491	48.7
81.03416	4.3
81.07053	100.0
82.07405	1.1
83.04974	9.9
83.08618	20.3
85.06547	6.2
91.04910	1.8
91.05475	32.1
93.07039	79.0
95.04971	11.0
95.08010	1.3
95.08606	25.6
97.06517	14.4
97.10191	3.0
99.04444	1.5
99.08098	4.2
105.04559	1.5
105.07027	14.2
107.04948	1.7
107.08588	39.4
109.06541	4.8
109.10161	6.1
111.04482	1.0
111.08086	8.7
111.11724	1.2
113.09689	1.9
117.07019	9.7
119.08589	5.6
121.06491	2.2
121.10137	23.7
123.08105	1.8
123.11721	2.7
125.09644	1.4
129.07022	1.4
131.08562	12.5
133.10138	9.6
135.08089	3.5
135.11688	14.1
137.09648	1.2
139.11197	3.3
143.08521	2.2
145.10136	3.1
147.11708	4.0
149.09630	1.4
149.13249	47.4
151.11220	2.1
157.10091	1.6
159.11687	20.2
161.13385	1.0
163.11189	2.3
164.10440	1.0
167.14281	1.4
171.11896	1.1
177.12732	10.6
193.12317	1.3
195.13820	16.8
199.66823	1.0
213.14894	2.7
219.13824	1.6
227.12804	1.8
253.14182	1.6
301.07162	1.9
321.10928	1.0
353.24860	1.2
389.26813	1.0
463.30569	62.1
464.30817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03942	5.7
55.01865	7.1
55.05508	21.6
57.03436	10.0
57.07060	3.2
59.04980	1.8
61.07342	0.9
61.47518	1.0
65.03931	4.3
67.05502	82.4
69.03391	1.7
69.07066	26.5
70.07394	1.2
71.01335	1.9
71.04990	6.1
77.03896	1.3
79.05488	55.7
81.03415	7.3
81.07050	100.0
82.07375	1.2
83.04983	10.7
83.08617	18.7
85.02909	1.3
85.06535	6.5
87.80111	0.9
90.59525	1.1
91.04906	2.0
91.05476	33.7
93.07038	83.1
94.07391	1.3
95.04967	10.5
95.08595	24.5
96.65792	0.9
97.06522	16.0
97.10149	4.8
99.04439	1.3
99.08073	3.7
105.04472	2.3
105.07028	11.8
107.04929	3.9
107.08588	43.6
109.06514	6.0
109.10168	6.1
111.04441	1.3
111.08086	9.0
117.07006	11.4
119.08582	6.9
121.06498	5.0
121.10133	20.8
123.00118	1.1
123.08038	2.9
123.11666	3.1
125.09606	3.4
127.07601	1.3
129.07002	1.2
130.40659	1.0
131.08559	14.6
133.10127	10.8
135.08026	3.0
135.10707	1.6
135.11694	22.6
137.09644	1.3
137.26749	1.0
139.07568	1.1
139.11148	2.6
145.10098	5.2
147.07973	1.1
147.11685	2.5
149.09576	1.2
149.13249	46.0
151.11192	1.8
153.12767	2.3
157.87469	1.0
159.11659	16.3
163.11174	5.9
177.12743	10.4
181.04936	1.2
181.12274	5.1
189.11140	1.6
191.10660	1.0
195.13768	17.4
209.11763	1.4
213.14790	2.5
219.13812	6.5
227.12749	5.8
251.16563	1.5
251.23912	1.2
253.14282	1.1
258.42877	1.1
445.25818	3.4
463.30966	62.4
464.30859	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03940	4.7
55.01868	3.1
55.05511	19.0
57.03438	7.4
57.07077	2.4
65.03944	2.8
67.05505	86.2
69.07069	26.9
71.01347	1.6
71.04987	5.0
71.51289	1.5
79.05493	46.9
81.03404	3.1
81.07055	100.0
82.07398	1.7
83.04988	7.7
83.08620	17.0
83.74941	1.1
85.02948	1.4
85.06544	4.1
90.13833	1.1
91.05482	27.6
93.07043	70.1
95.04973	9.3
95.08606	21.4
97.06520	12.8
97.10181	1.3
99.04464	1.2
99.08101	3.8
105.04505	1.6
105.07041	12.6
107.08589	37.1
109.06522	2.8
109.10159	6.3
111.08074	8.5
111.11759	1.1
117.07019	10.6
119.08584	5.5
121.06523	2.5
121.10149	22.6
123.11705	3.6
125.09642	2.4
129.07007	2.7
131.08556	12.5
133.10141	10.7
135.08064	2.4
135.11676	12.1
139.11165	2.6
143.08501	1.4
145.10095	1.6
147.11755	2.1
149.09665	1.3
149.13260	49.0
151.11259	1.8
157.10092	1.1
159.11690	17.2
167.14310	1.2
173.11823	1.2
177.12743	9.4
181.20305	0.9
195.13797	18.2
213.14911	2.5
215.14725	1.1
222.85526	0.9
229.14421	1.3
251.16615	1.4
274.52817	1.0
286.04767	4.0
296.19034	1.1
301.07013	6.0
343.26523	1.8
346.37302	1.1
371.25809	1.6
389.26852	2.7
445.29510	3.7
463.30579	71.6
464.31046	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	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03935	4.4
55.01857	2.8
55.05510	19.6
57.03437	6.4
57.07063	2.5
65.03944	4.5
67.05503	84.7
69.07066	28.2
71.04995	6.2
71.08624	1.1
71.10795	0.8
71.92982	0.9
73.02888	1.0
77.03896	0.9
79.05490	55.8
80.05819	1.0
81.03413	3.3
81.07053	100.0
83.04987	9.1
83.08617	18.5
85.02888	1.1
85.06533	4.9
91.05480	33.5
93.07040	70.3
94.07401	1.0
95.04967	9.3
95.08607	26.3
97.06526	14.9
97.10145	2.4
99.04415	1.3
99.08089	3.9
105.04509	2.2
105.07020	12.9
107.04933	1.8
107.08588	39.2
109.06503	3.6
109.10143	6.3
111.08064	8.9
117.07016	11.5
119.08591	5.6
121.06504	2.6
121.10140	22.4
123.08050	1.4
123.11703	4.0
125.09595	1.1
129.07014	2.2
131.08575	13.5
133.10133	12.7
135.08046	2.8
135.11684	12.0
137.09532	0.9
139.11201	1.8
143.08568	1.6
145.10129	3.2
147.11664	2.5
149.09624	1.0
149.13251	46.8
151.11107	1.2
153.09114	1.1
157.10100	2.2
159.11684	19.8
167.14326	1.4
177.12726	10.4
181.04898	1.4
183.34705	0.8
185.13277	1.0
187.14763	1.2
195.13808	19.3
197.31883	0.8
213.14819	2.8
251.16556	2.1
286.04614	1.2
301.06976	4.7
353.24628	1.3
367.55515	1.0
371.25742	2.9
389.26636	1.5
405.14914	0.9
445.29462	3.9
463.30515	66.1
464.30746	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	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03943	3.9
55.01866	3.1
55.05243	1.1
55.05511	21.7
55.50490	1.1
56.96608	1.0
57.03435	6.8
57.07070	3.4
59.04988	1.3
65.03941	2.6
67.05504	82.4
69.03416	2.0
69.07066	26.7
70.73779	2.0
71.04990	6.3
72.32668	1.2
76.43657	1.1
79.05493	49.9
81.03423	3.7
81.07055	100.0
83.04979	9.0
83.08618	15.9
85.02871	2.0
85.06546	5.3
91.05478	35.3
92.05804	1.3
93.07043	73.8
94.05396	1.1
94.07454	1.6
94.56756	1.2
95.04955	10.7
95.08613	27.1
97.06516	15.3
97.10177	3.1
99.08096	4.6
105.04524	1.4
105.07035	15.5
107.04964	2.9
107.08591	41.3
109.06496	6.1
109.10168	7.5
111.08083	10.2
113.06009	1.6
113.09703	1.6
117.07001	14.2
119.08564	10.2
121.06516	2.8
121.10144	24.6
123.08078	2.4
123.11735	3.3
125.09613	2.1
129.07014	4.8
131.08562	16.3
133.10133	13.8
135.08072	1.8
135.11694	12.6
137.09625	1.5
139.11186	1.2
141.06972	1.2
143.08589	3.5
145.10172	3.7
147.08165	1.5
147.11710	3.8
149.09560	1.7
149.13257	40.7
151.11195	2.6
155.08554	1.5
157.10063	2.5
159.11702	17.0
163.11134	1.4
171.11642	1.4
173.13208	1.4
177.12772	8.7
195.13806	16.4
213.14902	3.3
217.15927	1.2
269.10748	1.7
287.11926	1.4
343.26364	1.5
353.24875	3.4
371.25912	3.5
389.26974	3.3
445.28976	6.2
463.30606	75.9
464.30914	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01862	4.4
55.05510	22.7
57.03436	8.8
57.07063	3.5
65.03928	3.1
66.04688	1.0
67.05504	82.6
68.05823	1.2
69.03424	2.0
69.07064	27.7
69.34746	8.9
71.04978	6.1
73.58171	1.0
74.10734	0.9
79.05492	57.2
81.03422	13.2
81.07054	100.0
82.07356	1.4
83.04987	9.8
83.08620	19.9
85.02901	1.9
85.06552	6.5
91.05482	37.3
93.07043	73.9
95.04964	13.7
95.08604	28.5
96.08934	1.7
97.02863	1.5
97.06528	13.4
97.10162	3.1
98.21558	2.3
99.08093	4.3
103.05411	1.2
105.04504	1.6
105.07022	20.1
107.04942	2.7
107.08588	44.5
108.08826	1.1
109.06523	5.8
109.10143	12.1
111.04374	1.4
111.08096	7.5
113.06005	2.2
113.09721	1.2
117.07024	11.5
119.08572	9.9
121.06510	4.2
121.09324	2.1
121.10133	22.3
123.08081	1.7
123.11716	6.0
125.09611	1.2
129.06973	2.6
131.08548	13.9
133.10117	20.2
135.08052	3.6
135.11687	14.9
137.09552	1.3
139.11172	1.1
141.07011	1.3
143.08549	2.0
145.06355	1.1
145.10098	4.1
147.07974	1.2
147.11687	3.3
148.87526	1.1
149.09659	2.1
149.13254	40.4
151.11130	5.4
157.10181	2.9
159.08125	1.1
159.11670	16.2
161.13316	1.6
163.11176	4.0
165.09132	1.1
167.14288	1.2
169.10054	1.3
169.12163	1.2
171.11554	1.1
173.11772	1.2
173.13179	1.8
175.11290	1.5
177.12741	9.1
181.04993	1.5
181.12248	1.5
183.11720	1.4
185.13239	1.3
187.14790	1.2
191.10635	1.0
193.12257	3.8
195.13788	18.3
213.14824	2.2
219.13922	1.2
223.60545	1.1
227.12708	2.5
233.15318	1.9
251.16441	1.2
253.14340	3.4
261.76367	1.2
301.06433	1.0
371.25589	3.3
389.26862	1.8
445.29352	4.6
446.29965	2.6
463.30823	60.7
464.30865	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03933	4.0
55.01857	4.3
55.05508	18.1
57.03438	6.2
57.07065	2.6
62.96326	0.9
63.16330	0.8
65.03931	3.8
67.05502	77.9
69.03434	1.2
69.07066	28.9
71.04990	5.7
71.51669	1.9
71.52045	1.3
79.05490	50.2
81.03411	3.8
81.07050	100.0
83.04967	6.8
83.05402	0.9
83.08159	1.6
83.08619	19.4
85.06541	6.9
91.05479	29.9
92.05804	1.0
93.07039	72.5
95.04979	9.9
95.08601	27.2
97.06528	16.5
97.10173	2.8
99.04482	1.2
99.08070	2.9
103.05528	1.1
105.07024	14.9
107.04954	2.1
107.08594	40.1
108.08844	1.1
109.06536	5.0
109.10155	6.4
111.08079	7.4
113.09632	1.3
115.33297	1.0
117.07020	11.4
119.08591	6.4
121.06530	2.6
121.10137	22.4
123.11700	4.2
125.09646	1.8
129.07011	1.5
131.08556	13.8
133.10114	13.1
135.08040	2.9
135.11676	11.1
139.11246	1.1
143.08601	1.4
145.10136	3.6
147.11688	3.6
149.09631	1.4
149.13254	43.6
155.08493	1.0
157.10106	1.2
159.11688	20.1
161.13211	1.1
165.12727	1.1
171.11676	1.6
177.12746	8.3
181.04974	1.8
191.91023	1.0
195.13802	19.3
213.14851	3.8
231.60419	0.9
251.16469	0.9
269.17172	1.1
271.55078	0.9
286.04932	1.1
301.07089	1.9
339.72348	1.0
353.24835	1.3
371.25711	2.7
389.26917	2.3
429.38419	1.1
445.29453	3.9
463.30524	74.8
464.30807	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	463.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.6
55.01875	4.0
55.05507	6.6
57.03424	7.4
59.05008	15.9
61.02902	3.7
62.22464	2.5
66.48278	2.5
67.05485	9.2
69.03423	27.8
69.07064	4.0
71.04981	6.2
71.51891	2.8
73.02879	3.2
79.05489	29.9
81.03410	15.3
81.07044	8.5
83.04961	12.6
85.02898	19.4
91.05470	20.1
93.07040	83.7
95.04959	8.4
95.08592	25.6
96.27431	3.0
97.02894	19.0
97.06519	10.5
99.04430	7.4
101.06036	6.2
103.05389	2.8
105.07037	14.9
106.44165	2.6
107.08600	21.9
109.02844	19.9
109.06518	5.0
109.10155	21.3
111.08022	4.1
115.03919	3.1
116.92648	2.8
119.08594	26.1
121.06470	5.4
121.10135	100.0
123.04477	4.3
123.08052	44.0
123.11712	3.1
127.03890	10.4
129.05469	3.6
131.08557	9.0
133.10095	3.0
135.06505	3.5
135.08080	3.0
137.09590	17.6
139.03761	3.6
139.11165	10.1
141.09111	8.4
147.04286	4.8
147.07974	4.6
149.09619	51.0
151.11127	4.7
153.01836	6.1
163.03876	4.3
165.09131	18.5
167.10661	20.9
177.05524	3.7
183.10117	18.5
186.75267	2.5
194.43340	2.6
203.03442	3.5
216.70172	2.5
259.10638	3.5
283.10208	2.9
293.13629	4.2
295.05859	6.0
297.03821	5.8
301.07114	3.8
301.11816	7.2
311.14899	12.4
313.03387	4.5
327.14346	3.9
343.04492	41.0
379.04416	3.8
463.08737	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	463.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
54.14675	1.4
55.01871	2.3
55.05486	1.9
57.03429	5.4
59.05015	2.6
61.94627	1.4
67.05485	5.1
69.03433	11.2
69.07043	1.6
70.06572	1.9
70.76524	4.8
71.04987	3.1
79.05495	18.9
81.03426	8.0
81.07054	13.4
83.04965	4.8
85.02898	9.3
85.06494	1.9
85.50668	1.5
89.07156	2.2
91.05457	6.2
93.03402	2.7
93.06520	1.5
93.07037	38.9
95.04961	5.0
95.08600	6.2
97.02930	7.4
97.06535	3.0
99.04437	4.1
103.05493	2.0
105.07020	6.3
107.04921	4.5
107.08578	3.7
108.38387	1.5
109.02882	4.7
109.10161	2.4
110.10439	1.5
111.04446	3.9
117.05503	2.9
119.08556	3.3
121.06521	2.0
121.10145	29.9
123.04422	2.9
123.08085	4.5
123.11706	2.8
124.03905	2.6
125.05976	4.2
125.09712	1.7
127.03886	5.0
131.08548	3.3
137.05984	3.2
137.09561	1.7
139.03914	11.2
139.11143	2.8
141.89738	1.5
149.09616	100.0
151.03836	2.4
153.01797	3.8
165.05504	1.7
167.07079	2.0
167.10677	24.0
175.03851	1.8
179.06935	1.9
183.10173	1.7
185.11761	2.7
196.07208	1.4
215.11658	1.5
229.12085	1.7
239.11873	3.4
240.12643	8.2
249.05559	2.2
267.11282	4.8
268.12024	15.0
269.12939	1.7
281.12863	2.2
286.04694	5.2
292.11960	1.7
293.13925	7.5
295.05841	9.2
295.10886	5.0
296.11603	5.7
301.07144	15.9
307.06073	1.7
307.14545	2.1
311.14865	17.6
313.06848	1.9
314.12668	7.1
315.12915	1.8
316.14069	1.6
323.10010	1.9
327.13617	3.5
335.14063	3.9
337.07114	2.1
341.11237	2.0
355.12888	4.7
363.13208	3.2
373.13925	8.9
379.12729	1.9
381.14426	2.6
383.12329	2.3
401.13345	6.9
409.13913	4.8
427.14914	13.5
445.09985	3.0
445.16006	33.5
463.11038	2.9
463.17078	41.4
464.17615	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37382	0.8
53.03933	1.2
55.01865	0.9
55.35183	0.8
56.02784	0.8
57.03419	2.9
61.02933	1.1
63.05219	0.9
67.05498	1.6
69.03429	5.2
69.07060	1.1
69.49798	4.9
69.50217	1.4
71.04984	2.8
73.02911	1.3
75.04472	1.4
79.05482	3.8
81.03401	2.2
81.07029	2.9
85.02901	7.6
87.04463	1.2
91.05482	3.9
93.07042	14.9
95.04973	1.8
95.08582	1.6
97.02891	3.0
97.06541	2.1
99.04457	2.8
102.17732	0.8
105.06996	3.1
107.04949	2.0
107.08579	2.2
109.02842	2.3
114.23694	0.8
115.03875	0.8
117.05458	1.9
119.08544	2.7
121.02914	1.9
121.10134	19.0
123.04403	2.1
124.07553	0.9
127.03874	2.5
127.35329	0.8
128.09064	0.8
129.05417	1.2
131.08553	3.9
133.08911	0.9
133.10048	1.0
137.02351	5.1
137.05946	2.6
138.06281	1.3
139.03940	1.1
139.11137	2.0
143.04831	1.5
144.05278	1.2
145.05019	1.0
147.08015	1.1
149.05972	1.0
149.09633	10.1
151.11162	1.7
153.01787	1.5
153.07523	1.0
161.05922	1.4
163.03935	1.0
165.09244	0.9
167.06981	0.9
167.10712	6.3
175.07530	2.4
176.07921	1.1
177.05452	1.0
178.05801	1.1
179.06924	1.3
185.05994	1.5
203.07018	1.7
204.07431	1.1
213.05515	2.5
221.08064	1.3
222.08476	1.4
231.06441	1.0
241.04939	1.3
258.05243	1.2
274.04645	1.3
285.03891	2.8
286.04715	6.7
287.05484	100.0
288.05908	5.4
301.03479	4.5
301.07037	24.0
301.10855	1.4
302.04218	11.7
302.07379	1.4
303.04913	0.9
311.14935	1.9
317.06546	43.4
318.06934	2.4
348.11487	1.8
366.12677	3.2
446.14465	3.7
463.08725	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.7
55.01815	1.0
55.05440	2.8
56.39367	0.6
57.03358	7.4
57.03666	1.1
57.73264	0.5
58.77930	0.6
59.04927	1.5
67.05421	3.9
69.03344	26.3
69.03759	2.5
69.06984	18.0
69.07397	1.5
71.04910	2.2
71.07423	1.1
73.02843	0.7
75.04424	1.0
79.05402	3.0
81.03330	4.5
81.06966	11.0
81.07476	0.8
83.04897	2.4
83.08546	0.6
85.02811	19.1
85.03370	1.4
85.06461	0.9
87.04464	17.3
87.04952	0.9
91.05444	3.9
93.07043	6.2
95.04985	2.8
95.08606	5.6
97.02888	25.5
97.03455	1.2
97.06463	1.0
97.10069	1.7
97.76361	0.6
99.04365	2.0
103.03867	0.6
105.07028	4.1
107.04871	1.0
107.08585	6.0
109.02855	3.9
109.06506	2.8
109.10151	5.9
111.04388	1.5
111.07986	1.0
113.05948	0.7
115.03926	24.3
115.04677	0.8
117.06934	1.1
119.08578	3.9
121.06456	0.9
121.10135	4.9
123.04433	4.2
123.08008	1.1
123.11700	18.9
124.01518	0.7
125.09568	1.3
127.03905	3.0
129.06960	0.8
129.75412	0.5
131.08469	2.1
131.33382	0.5
133.04955	29.9
133.10115	3.5
135.04344	0.7
135.07956	2.3
135.11618	1.7
137.02267	0.6
137.05887	1.7
137.09491	1.9
139.03822	0.7
139.11111	1.0
141.64920	0.5
143.08492	0.9
143.71132	0.6
145.04877	2.2
145.06424	0.7
145.10089	2.5
147.08003	0.8
147.11610	1.5
149.05821	0.5
149.09535	2.6
151.07376	1.1
151.11172	16.7
156.09361	0.6
157.09981	1.7
159.08015	0.7
159.11595	2.2
161.02193	0.7
161.09505	1.7
161.13216	1.1
163.11076	0.9
165.05324	0.6
167.03418	5.6
167.06961	1.0
169.04950	0.8
169.09955	0.7
169.12239	1.2
171.11598	1.2
173.09590	0.7
173.13126	1.7
175.03893	0.6
175.07362	0.6
175.11098	1.6
175.14687	0.8
177.05473	0.9
177.09052	0.8
185.04430	0.6
191.10594	0.8
191.14137	0.7
192.42868	0.6
193.12242	1.0
197.13187	0.7
199.14680	0.7
201.12692	1.3
201.16505	0.6
203.03419	0.7
213.05511	0.9
215.03282	0.8
219.13773	2.3
241.04768	0.9
243.06360	0.7
247.13235	1.5
258.05228	10.7
267.02890	0.7
267.06482	0.7
268.03458	0.6
273.22235	0.6
277.09259	1.1
283.05930	0.6
283.15375	1.2
286.04715	6.5
295.02429	1.5
295.06082	1.5
301.07053	100.0
301.21664	1.8
302.04227	1.0
302.07373	6.9
311.05661	1.1
317.06561	8.1
323.05508	1.1
369.06143	1.3
445.26135	1.6
463.12396	22.4
463.26797	5.6
464.12415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01864	3.1
55.05505	2.9
57.03421	5.7
57.03687	1.4
59.04993	1.5
59.56757	1.2
67.05486	5.3
67.84004	1.1
69.03410	4.1
69.07067	3.9
69.83836	6.0
71.04613	1.8
71.04992	32.7
71.60894	1.6
73.02914	3.3
79.05478	4.4
81.03423	3.7
81.07037	5.9
83.04949	2.1
85.02905	36.4
85.06532	1.4
87.04449	1.6
91.05460	4.1
93.07039	6.6
95.04953	2.5
95.08575	5.1
97.02884	2.9
97.06539	1.6
105.07018	9.4
106.07366	2.0
107.04949	1.4
107.08572	4.4
109.02877	4.6
109.06459	1.5
109.10133	4.3
119.08554	3.6
121.02794	1.3
121.06488	2.7
121.10133	5.7
121.77975	1.1
123.04424	2.7
123.08047	2.5
123.11716	1.4
124.03934	5.9
125.04257	2.6
125.09605	2.8
127.03906	3.5
129.05460	5.6
133.10123	15.1
134.10454	9.0
135.11673	1.8
137.05951	5.1
137.09642	2.0
139.03929	1.9
139.11176	1.6
140.10724	1.5
143.08636	1.3
145.10124	2.0
147.08133	1.4
147.11732	1.9
149.05940	1.3
149.09625	2.2
151.03899	1.6
151.11086	1.5
153.01830	14.8
153.12550	1.7
165.01831	1.6
165.09145	1.4
167.07036	26.4
177.05412	3.0
178.05789	1.5
179.03308	2.2
201.05389	2.5
228.04131	1.5
229.04953	4.0
243.15140	1.2
257.04456	2.0
269.08505	1.6
274.04816	2.7
285.03879	4.6
286.04611	4.0
286.09164	2.2
287.09421	2.6
295.05902	3.9
301.07016	6.5
302.04242	12.0
303.04947	2.7
317.06543	100.0
359.07809	1.4
410.45126	1.3
419.66077	1.6
463.09775	2.0
463.15628	5.1
463.21417	5.0
463.26968	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	463.1235
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01858	0.8
55.05514	1.9
57.03439	2.8
61.02907	0.4
65.03909	0.3
67.05489	1.5
69.03426	2.7
69.07063	1.6
69.48822	1.9
70.07195	0.3
71.01322	0.3
71.04987	19.3
73.02894	0.7
75.04452	0.6
79.05498	1.5
81.03419	2.2
81.07057	3.0
83.04978	1.5
83.08590	0.9
85.02900	18.4
85.06532	0.9
87.04450	0.6
89.03918	1.1
91.05479	1.6
93.03381	0.3
93.07048	3.0
93.85011	0.3
95.04958	2.0
95.08604	2.7
97.02878	0.6
97.06525	0.5
97.10149	0.8
99.04443	0.6
100.11243	1.1
105.07012	2.3
107.04945	0.7
107.08598	1.8
109.02872	2.3
109.06496	1.0
109.10152	2.3
111.04418	0.9
111.08073	0.8
117.03349	1.8
117.06958	0.7
119.08578	1.5
121.02864	0.9
121.06482	0.8
121.10134	2.4
123.04436	2.2
123.08038	0.4
123.11737	0.8
124.01584	0.4
124.03927	0.4
125.02335	0.4
125.05977	0.4
125.09606	1.3
127.03912	1.0
127.11262	0.3
129.05479	3.8
129.06966	0.4
131.08560	1.1
133.06532	0.4
133.10097	1.6
134.10451	0.4
135.04424	0.7
135.08023	1.0
135.11674	0.8
137.02345	2.7
137.05939	0.9
137.09645	0.5
139.03894	1.1
139.11140	0.7
140.06895	0.3
141.05469	0.4
145.02852	4.2
145.10089	1.0
147.06506	0.7
147.08022	0.6
147.11711	0.5
149.05969	0.8
149.09589	0.9
149.13239	0.3
151.03908	0.9
151.07509	1.0
151.11140	0.8
157.10120	0.5
159.08018	0.5
159.11674	0.9
161.09592	0.4
161.13177	0.4
163.03874	1.1
163.07584	0.4
163.11121	0.6
167.03407	4.0
171.11673	0.5
173.06087	0.3
173.13312	0.4
175.11139	0.4
177.05464	8.0
177.12737	0.4
179.03413	1.7
179.10646	0.5
182.15405	1.1
187.07571	0.6
193.12363	0.3
197.04445	0.9
200.04807	0.5
210.14926	1.1
215.07004	1.6
215.14259	0.3
228.15770	0.3
233.08099	0.4
243.06497	3.6
247.16949	0.3
249.05542	0.4
251.09094	1.2
253.41850	0.3
255.21019	0.3
257.04391	0.7
261.07578	0.7
271.06036	2.2
273.03723	0.4
274.04697	4.1
276.72742	0.4
286.04681	0.4
288.06259	0.7
295.06168	0.7
299.05399	1.0
301.07034	1.9
301.21573	0.4
302.04166	2.5
317.06531	100.0
318.06870	2.6
329.06683	0.8
331.08008	1.2
359.07718	0.5
383.07910	0.5
409.09088	0.3
421.09256	0.3
427.10229	0.4
445.25626	0.5
463.12918	0.4
463.27103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
53.03931	1.9
55.01860	2.3
55.05512	4.7
56.12080	0.5
57.03434	5.4
57.07062	0.6
61.02906	1.2
64.27032	0.6
65.03931	0.7
67.05502	6.6
69.03424	4.2
69.05708	0.5
69.06787	0.5
69.07074	4.7
69.66978	3.7
71.01337	1.0
71.04991	4.1
73.02909	3.9
79.05486	5.6
81.03415	6.2
81.07053	10.6
83.04974	2.3
83.08591	1.6
85.02899	5.6
85.06531	1.5
91.05483	5.8
93.03405	1.1
93.07044	8.4
95.04975	4.7
95.08601	7.0
97.02877	1.7
97.06528	2.3
97.10165	3.0
98.20858	1.1
99.04465	1.8
99.08087	0.9
103.05506	0.6
105.07014	7.3
107.04926	1.4
107.08591	8.1
109.02889	4.8
109.06509	2.7
109.10143	8.3
111.04425	1.5
111.08070	1.6
111.11737	0.6
115.03921	1.5
117.07012	1.6
119.08576	6.6
121.02875	1.0
121.06517	1.7
121.10136	5.0
123.04411	1.4
123.08030	1.5
123.11736	2.6
125.05946	1.7
125.09617	2.8
127.03883	2.0
129.06975	1.3
131.04892	0.8
131.08559	2.8
133.04955	1.9
133.06506	0.8
133.10138	6.3
135.04408	0.6
135.08054	2.7
135.11676	2.1
137.05977	2.0
137.09590	2.4
137.13297	0.7
139.03880	1.5
139.07542	0.6
139.11194	1.6
140.04663	0.6
143.08557	2.0
145.06496	0.9
145.10095	5.0
147.08023	1.1
147.11685	2.4
149.09616	3.5
149.13293	0.7
151.03886	1.8
151.07549	3.5
151.11154	2.5
153.01825	1.5
153.05554	1.3
153.09073	0.8
157.10123	2.9
159.08095	1.2
159.11691	3.2
161.09601	2.1
161.13213	1.1
163.07555	0.8
163.11182	1.5
163.14740	0.7
165.09091	3.8
167.03391	12.3
167.08627	0.6
169.10159	0.5
171.08006	0.8
171.11755	1.4
173.09642	1.0
173.13254	1.9
175.11206	1.6
175.14806	0.9
177.09030	0.6
177.12921	0.6
179.03351	0.7
179.10699	1.6
181.04938	1.1
183.11710	1.0
185.13232	0.8
187.11203	0.6
187.14789	1.1
189.12871	0.7
191.10683	0.9
191.14348	0.6
193.12256	1.5
197.13165	1.1
199.14938	0.9
201.08958	0.6
201.12769	0.8
201.16383	2.0
203.10739	0.6
203.14301	0.6
215.07063	1.0
217.04881	1.0
219.13898	0.6
227.14471	0.7
228.26793	0.6
231.06493	1.6
232.07332	0.9
242.05746	1.9
243.06491	4.7
253.14442	0.9
255.20953	1.5
259.06107	1.5
260.06833	2.0
271.06070	2.6
273.21777	0.6
274.04678	0.9
275.16415	0.6
283.20621	0.9
287.05563	2.6
288.06311	5.0
291.23282	0.8
298.04691	0.6
299.05408	2.9
301.06964	0.8
301.18448	0.8
301.21628	2.1
316.05740	14.2
317.06491	13.9
331.08099	100.0
332.08392	1.8
403.24768	1.2
427.28656	0.8
445.25903	1.7
463.26636	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	463.1236
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
53.03924	0.8
55.01857	0.7
55.05510	2.7
57.03432	0.6
57.07063	0.4
59.04992	0.3
65.03932	0.4
67.05503	3.0
67.56461	0.3
69.03426	2.9
69.07071	2.8
69.36331	2.2
71.04980	1.0
73.02896	0.4
74.29763	0.2
79.05498	1.8
81.03421	3.8
81.06600	0.3
81.07059	5.5
83.04962	1.0
83.08603	0.9
85.02888	1.1
85.06532	0.7
91.05475	2.9
92.81657	0.3
93.07038	4.8
93.82039	0.3
95.04969	2.0
95.08073	0.3
95.08612	3.6
97.02880	0.9
97.06520	1.2
97.10167	1.5
97.80155	0.2
99.04449	0.7
99.08072	0.3
103.05470	0.6
105.03385	0.6
105.07034	3.8
107.04951	1.0
107.08592	3.7
109.02867	3.0
109.06518	1.5
109.10149	4.2
109.96408	0.2
111.04436	0.6
111.08053	0.8
115.03951	0.4
115.05392	0.3
117.07008	0.8
119.04918	0.4
119.08585	2.6
121.02876	0.3
121.06480	1.0
121.10133	3.2
123.04421	1.0
123.08072	1.1
123.11703	1.9
125.05966	0.2
125.09653	1.4
127.03926	1.5
127.04706	0.2
128.06223	0.3
129.06982	0.6
131.08574	1.7
133.06490	0.3
133.10115	2.6
135.04431	0.4
135.08075	1.2
135.11658	1.5
137.05974	1.0
137.09631	1.2
139.03882	0.3
139.07529	0.3
139.11163	0.8
141.06941	0.4
143.08562	0.7
143.10640	0.4
145.06435	0.4
145.10132	2.3
147.04393	0.6
147.08009	0.8
147.11676	1.6
149.09615	2.2
149.13239	0.7
151.07539	0.9
151.11157	1.4
153.01729	0.3
153.09137	0.3
155.08516	0.6
157.10118	1.3
157.12155	0.3
159.08008	0.7
159.11682	1.5
161.05957	0.6
161.09676	1.3
161.13255	0.7
163.07530	0.4
163.11165	0.7
165.09093	0.6
167.03448	1.7
169.10112	0.5
171.07994	0.3
171.11665	0.9
173.09576	0.4
173.13293	1.1
173.78429	0.2
175.11171	0.5
175.14793	0.4
177.12801	0.5
179.10664	0.5
181.05035	0.4
181.08542	0.3
181.12138	0.4
183.11740	0.4
184.05289	0.3
185.13287	0.8
187.03818	0.3
187.11166	0.3
187.14787	0.6
189.09109	0.3
189.12785	0.4
189.16306	0.3
191.10646	0.4
191.14293	0.4
193.12311	0.4
197.04475	0.5
197.13268	0.6
199.14793	0.4
201.16428	0.4
203.03369	0.5
203.14270	0.5
207.06447	0.3
207.13853	0.3
209.13382	0.5
212.04691	2.3
213.05388	0.5
213.12788	0.3
213.16478	0.4
215.14413	0.5
219.13751	0.5
227.14226	0.4
229.04922	0.5
229.15912	0.4
240.04170	0.8
241.04924	0.4
247.16905	0.3
255.21214	0.4
257.04437	0.7
258.05234	7.2
273.21994	0.6
283.20639	0.6
285.03918	2.7
286.04709	18.1
287.05066	0.4
301.07059	100.0
301.21387	1.2
302.07333	2.3
311.05371	0.6
317.06589	1.8
319.22607	0.5
427.24304	0.4
445.25815	1.0
463.12396	2.0
463.26791	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	463.1232
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
57.03432	3.1
69.03416	1.2
71.04990	21.6
83.04983	0.6
85.02905	19.6
87.04448	1.2
95.04952	0.8
96.07935	0.5
98.21539	1.1
109.02882	0.5
121.02829	0.9
123.04417	2.1
125.02341	1.0
129.05487	4.4
133.04919	0.7
137.02316	2.5
151.03899	0.8
151.11200	0.7
163.03943	0.6
167.03406	3.1
175.91010	0.7
179.03392	1.9
187.07584	0.5
197.04395	0.8
215.07010	0.9
221.34303	0.5
228.04152	0.7
243.06517	4.1
271.05923	1.7
273.04050	0.8
274.04703	3.0
299.05508	1.4
301.06961	0.5
302.04239	2.1
317.06543	100.0
318.06842	2.2
332.96674	0.5
359.07706	0.6
409.08997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0869
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01871	0.6
57.03434	1.2
65.88158	0.2
67.05479	0.2
68.99781	0.7
69.03417	0.7
69.18737	0.2
69.19048	2.3
70.04192	0.2
71.01352	2.3
73.02914	3.1
75.04448	0.2
75.81705	0.2
75.95786	0.2
79.05474	0.6
81.03406	0.3
81.07037	0.4
83.01331	0.2
83.04961	0.3
83.27438	0.2
85.02903	8.8
91.05483	0.3
93.07034	0.6
95.01316	1.3
95.04944	0.4
95.08613	0.4
95.41998	0.2
97.02869	0.3
97.06519	0.4
98.20628	0.2
99.00791	0.5
101.02354	0.7
103.03925	0.6
105.03362	0.3
105.07005	0.3
106.02908	0.7
107.03258	0.2
107.04927	0.4
107.08568	0.4
109.02859	0.3
109.06471	0.2
111.00808	1.0
111.04434	0.3
111.08079	0.4
113.02362	3.4
119.08579	0.2
121.02858	3.1
121.06501	0.7
121.10110	0.3
124.03916	1.1
125.04348	0.3
125.06023	0.2
127.03873	0.3
131.03397	2.4
133.02791	0.5
133.10147	0.3
136.07578	0.5
137.02347	1.0
139.03949	0.2
141.01796	1.6
145.06487	0.3
147.04391	0.6
147.11662	0.6
150.09151	0.4
153.01822	4.3
157.06485	0.6
159.02892	1.2
161.05978	0.3
163.03928	0.2
164.07048	0.4
165.01852	2.0
165.12769	0.2
171.04462	0.4
175.03957	0.3
175.11180	0.3
183.02890	0.9
185.05965	0.5
193.12215	0.3
199.11218	0.3
213.05408	1.6
217.12274	0.4
231.06462	0.6
235.13335	0.7
241.04980	0.8
243.06400	0.2
253.14386	0.7
258.05200	1.4
259.06049	0.3
268.08112	0.3
269.08594	0.3
273.15799	0.3
277.67740	0.2
287.05484	100.0
288.05789	2.8
290.32825	0.2
301.07098	0.3
301.15350	0.3
427.18964	0.2
430.34033	0.2
445.13031	0.3
463.14188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48199	0.6
53.03941	0.7
55.01873	7.0
57.03434	12.2
59.04994	1.7
61.02929	5.8
67.05515	1.2
69.03426	17.5
69.68330	3.7
71.01352	2.0
71.04971	1.0
72.04517	1.1
73.02915	19.4
79.05483	1.4
81.03416	4.0
81.07061	1.4
85.02904	45.6
87.04462	2.0
91.03961	1.2
91.05479	1.7
93.07041	2.1
94.27718	0.6
95.05003	0.7
95.08607	1.8
97.02887	21.7
99.04453	2.7
100.11258	0.8
101.29111	0.5
103.03934	1.6
103.05472	0.5
105.07027	87.3
106.07381	1.2
107.08589	1.6
107.46738	0.7
109.02871	4.6
109.06567	0.7
109.10136	0.9
115.03923	10.9
119.08598	1.1
121.06491	0.7
121.10196	1.2
124.03951	2.1
127.03918	10.6
131.08572	2.0
132.06555	2.3
133.04030	0.9
133.04976	13.7
133.10123	100.0
134.10440	1.4
137.05974	1.0
139.03868	0.9
145.04951	15.0
145.10118	2.3
147.04414	1.0
147.11725	1.0
149.09587	1.4
150.07550	3.0
150.09875	0.6
150.99236	0.7
153.01776	1.3
153.12798	0.6
157.10095	2.5
161.09653	1.1
161.44254	0.5
163.06026	4.3
169.04559	0.6
169.10141	0.7
172.23138	0.6
173.09698	1.2
175.11157	2.9
177.05463	0.6
181.10017	0.7
187.11148	0.9
192.78633	0.5
193.04875	0.7
198.31537	0.7
199.06006	0.6
199.11279	0.8
217.12363	0.7
223.06013	1.0
229.12222	1.6
232.06342	0.6
241.07127	1.7
242.13008	0.5
244.09676	0.7
247.13293	1.7
259.08154	1.3
268.08270	0.7
277.14301	0.8
283.15286	0.8
286.08859	0.6
287.05273	0.8
295.06119	0.7
295.10135	0.7
301.07007	2.4
313.16449	1.6
341.13876	0.7
421.05511	0.9
430.16867	0.9
462.19025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70369	6.2
62.23742	6.1
64.10831	6.2
67.05483	14.5
69.03397	16.9
70.06583	7.4
70.48573	10.9
70.48927	15.0
70.60960	5.5
79.05495	8.1
81.03410	13.9
84.08153	6.0
84.85278	5.4
85.02886	18.8
93.07001	6.1
95.04943	12.1
95.08591	5.8
97.02878	13.6
98.20901	6.8
105.06985	12.4
107.08596	8.7
109.02836	6.9
109.06474	9.6
111.04425	11.4
119.04939	7.3
119.08557	22.7
121.06479	12.5
123.04420	30.1
123.08037	14.7
127.03873	11.2
131.08545	10.2
133.06470	6.4
135.04463	7.0
135.08014	15.9
137.05989	9.6
137.09637	9.4
138.05504	8.4
139.03915	10.4
144.08049	15.8
145.06470	9.2
145.10077	6.0
147.04370	20.0
147.08026	8.4
152.07031	7.2
153.01801	12.5
153.30858	6.6
155.22044	5.8
159.08052	9.8
159.11703	9.9
159.97115	7.1
161.09569	10.0
162.54877	5.3
163.03845	15.1
164.06940	7.0
175.03967	6.7
175.07492	8.1
175.11098	8.6
187.11116	11.8
229.12099	6.2
247.13242	25.7
265.14337	100.0
287.05463	8.3
316.06845	6.7
368.72275	6.6
462.15961	8.8
463.17319	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01866	8.9
55.59567	1.9
57.03435	17.9
59.04973	2.4
60.04524	25.0
61.02916	9.2
65.03950	3.0
67.98877	2.0
69.03423	13.8
70.06578	4.0
71.01332	5.7
71.51517	2.6
71.51894	2.7
73.02914	17.2
74.06104	2.3
79.05488	5.8
81.03419	4.4
81.07040	4.1
83.04957	2.5
85.02905	33.5
85.74181	2.1
87.04458	4.5
91.05469	41.6
93.07037	3.5
94.06567	2.6
95.04961	7.1
97.02895	21.2
97.06517	2.1
98.97559	1.9
99.04469	2.0
103.03983	2.7
103.05470	2.4
105.07025	13.9
106.06535	5.1
107.04950	63.2
109.02891	2.8
109.06522	7.1
115.03923	9.1
115.05463	3.0
117.05737	5.6
120.08109	35.0
121.06498	4.0
121.10126	2.3
122.09668	6.2
124.03950	2.6
124.07619	2.5
127.03877	5.8
132.08087	76.6
133.04958	14.3
133.06473	23.7
137.05943	8.8
145.04956	4.6
147.04410	3.0
150.09132	100.0
151.03854	2.4
153.01833	7.8
158.99611	1.9
161.05896	2.7
163.04034	2.6
165.09016	3.5
166.08592	3.4
168.10225	10.7
174.09288	1.8
176.09044	1.7
177.05405	2.5
178.04970	2.6
183.10165	3.1
191.98616	1.9
203.03326	1.8
252.09177	3.5
257.13922	5.0
261.09921	10.1
286.04779	2.2
297.48566	2.1
301.07019	10.3
312.14417	12.9
330.15396	6.2
384.33463	1.9
444.19095	2.4
462.19986	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	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
65.03932	1.2
67.05517	0.7
69.03422	0.8
69.94763	2.9
71.04980	0.5
79.05463	1.0
81.03422	1.4
81.07059	1.1
85.02901	1.2
89.03896	0.9
91.05478	19.1
93.07031	1.2
95.04942	0.8
95.08597	0.6
97.02886	0.9
97.06565	0.5
97.61735	0.5
98.21086	1.2
103.05445	0.6
106.37422	0.5
119.04935	30.8
123.08083	0.6
131.04947	0.9
132.02042	1.5
137.06064	0.6
146.03571	0.8
147.04402	28.1
147.08127	0.5
149.02310	0.8
153.01768	0.7
157.03946	2.9
161.05940	1.0
162.03065	0.6
175.03900	47.8
176.04262	0.6
179.07004	2.5
207.06520	100.0
208.06848	0.9
285.03952	1.3
287.05511	2.8
301.06918	1.5
312.05502	0.6
313.03381	3.7
313.06882	2.0
320.83710	0.6
330.06097	1.7
369.11755	2.0
426.01974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01872	7.0
55.05510	28.9
55.87987	1.5
56.31414	1.6
57.03429	8.0
62.94548	1.2
65.03933	3.3
67.05501	62.5
67.27357	1.3
69.03418	2.5
69.07063	20.3
69.86431	2.7
69.86840	5.3
71.04985	4.7
79.05488	43.4
81.03413	57.8
81.07050	67.9
82.07391	1.4
83.04976	12.0
83.08156	1.9
83.08614	20.8
85.06537	5.0
88.56377	1.3
91.05474	51.6
93.07038	49.2
95.04965	32.9
95.08598	24.6
97.02863	2.0
97.06517	9.1
97.10156	9.9
98.21474	1.6
99.08089	3.9
99.22102	1.4
103.05453	2.6
105.04496	3.1
105.07021	34.5
107.04958	15.5
107.08584	27.4
109.06501	5.9
109.10142	8.6
111.08064	9.6
115.05457	2.0
117.07011	17.4
119.04946	1.7
119.08583	23.3
121.06477	8.5
121.10130	19.2
123.08067	5.8
123.11708	2.8
125.09624	8.0
128.06187	3.3
129.06990	16.5
131.04893	3.6
131.08551	24.3
133.06496	9.6
133.10103	17.0
135.08047	4.5
135.11693	6.4
137.09608	2.1
141.06975	5.0
142.07745	3.2
143.08566	10.1
145.06454	8.3
145.10101	10.7
147.08058	6.2
147.11707	11.7
149.09605	5.5
149.13255	21.8
151.11198	2.4
155.08574	5.1
157.10098	13.9
159.08073	4.0
159.11676	11.1
161.09578	2.0
161.13258	2.2
163.11127	2.7
165.12749	1.8
167.08585	2.3
169.10162	2.6
171.11639	4.4
173.13220	1.7
175.11208	8.2
177.12714	5.3
181.10132	2.2
183.11667	2.6
185.13199	2.9
187.14795	1.4
189.11157	5.0
193.12222	23.4
195.11813	1.9
195.13811	6.8
197.13293	3.4
199.14828	1.8
201.12779	2.9
203.14337	1.6
205.12160	1.5
207.11739	1.9
215.14381	1.8
217.15909	4.6
219.13785	1.7
221.13289	2.3
231.13779	3.0
233.15196	2.3
239.14359	1.6
249.14821	3.6
257.15295	2.5
271.16888	2.2
302.51169	1.6
323.23413	1.9
333.22284	2.0
341.24771	3.1
343.22620	4.5
351.23218	8.8
361.23642	2.2
368.56686	1.5
369.24255	18.5
387.25323	11.1
405.26346	3.6
417.26248	6.7
443.27835	21.2
461.28943	100.0
462.29276	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15966	1.7
51.23574	1.3
51.66763	1.7
53.03951	10.0
55.01854	7.8
55.05508	33.5
56.25131	1.6
57.03432	14.8
57.07063	3.1
65.03912	4.0
67.05499	92.1
68.05804	1.8
69.03419	5.1
69.07063	26.0
69.28329	17.7
71.01341	2.6
71.04973	8.0
77.03886	2.2
79.05488	100.0
81.03414	37.7
81.07049	77.0
83.04974	18.6
83.08610	20.1
85.06543	4.3
91.05475	86.8
93.07037	92.0
95.04960	37.2
95.08602	34.7
97.06532	13.4
97.10178	13.1
98.20844	4.5
99.08055	2.8
103.05468	2.5
105.04520	3.0
105.07027	44.9
107.04960	14.4
107.07881	3.6
107.08585	50.7
107.09719	2.1
109.06531	8.9
109.10149	9.9
111.08073	7.0
115.05422	2.6
117.07013	22.3
119.04935	1.7
119.08573	29.7
121.06509	7.8
121.10137	15.0
123.08069	7.9
123.11707	2.0
125.09595	5.5
127.07558	3.1
128.06200	5.9
129.06987	24.1
131.08551	17.9
133.06473	6.5
133.10118	23.1
135.08047	5.3
135.11678	36.6
137.09592	3.0
141.06976	2.1
142.07730	1.7
143.08528	10.4
145.06483	6.5
145.10106	14.7
147.08011	7.1
147.11665	26.9
147.88637	1.8
149.09657	3.6
149.13261	11.4
149.33438	1.7
151.11169	2.3
155.08559	5.7
157.10117	8.2
159.08018	2.8
159.10527	2.6
159.11633	8.8
161.09575	3.6
161.13239	10.3
163.11157	7.0
169.10216	3.9
171.11673	22.3
175.11198	7.1
177.12692	4.8
181.12225	3.2
183.11606	1.8
185.09634	2.2
185.13245	3.4
189.11214	3.3
189.12766	9.2
193.12212	13.1
195.13757	4.0
199.14801	2.2
207.13783	21.8
213.12726	2.1
217.15836	3.8
225.14777	2.6
227.12727	3.4
239.13966	1.9
293.17419	2.3
330.49759	1.7
343.22571	2.4
351.23248	6.6
355.23700	2.1
369.24258	16.0
387.25302	7.8
417.26431	2.7
425.26334	2.2
439.92847	2.0
443.27988	13.2
461.28979	95.9
462.29474	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01868	5.7
55.05508	25.7
57.03435	8.5
57.07069	1.8
60.49009	1.3
65.03930	2.8
67.05138	2.4
67.05502	59.7
69.03424	4.0
69.07069	19.2
71.04984	4.4
79.05488	46.1
81.03410	34.3
81.07053	60.7
82.07363	1.4
83.04990	10.9
83.08610	19.3
85.06523	4.6
91.05477	49.5
93.07035	45.6
95.04959	29.3
95.08601	21.9
96.97510	1.2
97.02896	1.8
97.06545	7.9
97.10170	9.3
98.20820	3.0
99.08067	3.2
103.05453	2.7
105.06306	1.8
105.07022	32.0
107.04954	13.8
107.08588	22.3
109.06516	7.7
109.10150	6.3
111.04445	1.4
111.08070	6.2
113.06027	1.8
115.05444	2.8
117.07020	15.0
119.04944	2.0
119.08575	23.9
121.06527	11.9
121.10149	14.6
123.08057	4.8
123.11693	1.7
125.09641	8.0
128.06247	3.1
129.06993	16.1
131.04935	2.8
131.08554	21.8
133.06497	6.0
133.10130	16.8
135.08055	3.8
135.11679	6.9
137.09633	1.7
141.06981	3.3
142.07773	2.3
143.08527	9.0
145.06490	10.0
145.10127	7.9
146.33951	1.3
147.07993	7.0
147.11697	9.6
149.09576	6.0
149.13261	15.8
155.08560	4.9
157.06500	1.8
157.10124	12.1
159.08044	3.4
159.11664	9.4
161.09599	3.6
161.13248	2.0
163.11183	4.3
165.12709	1.7
167.08522	2.9
169.10207	4.3
171.08055	2.2
171.10234	1.8
171.11728	3.8
173.09575	1.8
173.13292	2.7
175.11198	8.5
177.12790	5.2
181.10161	1.8
183.11729	3.5
185.13292	2.3
187.11235	2.5
187.14786	1.5
189.09048	1.2
189.11211	6.0
189.16440	1.8
193.12230	19.6
195.13824	5.7
197.13304	2.8
199.11098	1.3
199.14864	3.3
201.12743	2.6
205.12248	1.6
207.86427	1.2
211.11269	1.8
211.13191	1.7
215.14272	1.3
217.15916	7.5
225.12764	2.2
227.12697	2.3
231.13835	2.0
233.15504	1.8
239.84518	1.4
249.14850	3.7
251.16377	1.7
256.35748	1.2
256.84637	1.3
257.15414	3.1
273.18597	1.9
323.23651	1.6
327.34683	1.1
333.21951	1.8
335.35254	1.5
341.24762	5.0
342.24918	1.7
343.22519	2.8
351.23154	13.3
351.98642	1.2
369.24240	22.8
370.24670	1.6
387.25339	16.4
405.26273	2.2
407.25778	2.6
417.26138	3.3
425.26920	1.6
443.27856	28.7
461.28979	100.0
462.29187	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48503	1.1
53.03945	7.0
55.01865	5.5
55.05507	23.4
57.03432	7.2
57.07056	2.6
58.85184	1.1
62.87246	1.3
65.03939	3.0
67.05503	56.7
68.45313	1.2
69.03422	4.0
69.07066	20.3
69.39146	7.7
69.39558	3.4
71.01366	1.2
71.04985	4.0
75.03690	1.2
79.05492	49.0
81.03416	70.3
81.07055	65.4
81.07463	1.5
83.04971	10.7
83.08616	21.6
85.06527	3.9
91.04909	2.9
91.05481	49.3
93.07038	48.1
95.04964	36.2
95.08596	24.5
97.02873	2.6
97.06548	8.3
97.10162	6.4
103.05463	3.2
105.07030	33.4
107.04945	12.8
107.08588	24.8
109.06529	6.3
109.10132	8.1
111.04426	1.9
111.08083	11.5
115.05426	2.6
117.07015	14.5
119.04916	1.6
119.08579	18.6
121.06499	11.0
121.10146	17.5
123.08060	3.5
123.11642	2.1
125.09607	7.0
128.06239	2.2
129.06999	15.2
131.04890	2.2
131.08566	22.9
133.06499	8.0
133.10129	12.9
133.35240	1.4
135.08078	3.8
135.11708	5.4
137.09587	3.0
139.11089	1.7
141.06978	3.0
142.07756	3.9
143.08575	7.2
145.06505	8.0
145.10155	8.2
147.08032	7.1
147.11687	7.8
149.09592	6.7
149.13242	18.8
155.08539	4.1
157.10120	10.1
159.08084	4.3
159.11674	10.5
161.09590	2.0
163.11191	3.8
165.09140	1.8
165.12694	2.5
169.10110	1.9
171.11633	3.2
173.09518	1.7
173.13216	1.4
175.11176	9.5
177.12749	6.4
181.10042	2.5
183.11697	2.0
185.13179	2.2
187.11160	2.0
189.11183	4.4
189.12759	1.3
193.12231	28.2
195.11861	1.8
195.13808	4.3
197.13196	2.2
199.14845	2.9
207.11644	1.8
217.15887	4.2
219.13718	2.1
225.12781	2.0
227.12451	1.3
231.13815	2.1
245.15303	1.4
249.14882	4.0
257.15417	1.5
271.16638	1.5
273.18195	1.5
292.33157	1.3
323.23822	1.6
341.24878	1.4
343.22681	3.7
351.23264	7.6
369.24286	13.0
370.24622	1.7
387.25436	8.3
405.26288	3.6
417.26743	6.9
426.79288	1.7
443.27945	18.4
446.02914	1.5
461.28937	100.0
462.29422	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	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.50154	0.2
52.65875	0.2
55.05499	0.6
57.03432	0.3
58.85687	0.2
67.05502	0.5
69.03410	0.4
69.07055	0.3
70.06579	0.4
71.04980	0.2
79.05483	0.5
81.03411	0.6
81.07052	1.1
83.04928	0.3
85.02894	0.3
85.06549	0.4
91.05460	0.4
93.07024	0.5
93.38646	0.2
95.04932	0.3
95.08608	0.5
97.02902	0.2
97.06498	0.3
98.20721	0.5
100.11197	0.2
105.03407	0.5
105.07034	0.9
107.04919	0.7
107.08582	0.7
107.20277	0.2
109.02836	0.6
109.06514	0.2
109.10136	0.6
119.08565	0.6
121.02876	0.3
121.06521	0.3
121.10118	0.6
123.04433	0.3
123.08073	0.2
131.08591	0.2
133.10100	0.9
135.11629	0.2
137.05995	0.4
145.10088	0.4
147.04361	0.4
149.09599	0.5
151.07574	0.3
153.01825	0.3
153.06973	0.6
154.07745	0.4
157.10071	0.2
159.11710	0.3
161.13179	0.2
165.06963	0.3
165.09200	0.2
167.07089	0.3
167.10677	0.4
171.04372	0.9
181.04977	0.3
181.06451	1.7
182.07245	0.8
193.04930	0.3
210.06764	5.8
210.11205	0.2
211.07372	0.3
237.05481	0.4
238.06216	9.8
239.06740	0.4
241.04927	0.3
253.04956	1.2
254.05594	0.4
255.06523	4.0
263.11929	0.2
265.04950	11.9
266.05698	6.1
267.06509	1.4
269.04169	0.3
270.05243	2.5
279.11221	0.4
283.05984	12.8
284.06744	7.0
284.09140	0.2
285.07031	0.3
287.19690	0.2
299.09113	100.0
300.09467	4.0
309.12460	0.3
313.11823	0.3
369.09726	0.2
461.04700	0.3
461.14258	0.5
461.19800	0.3
462.20258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01842	0.8
55.05474	1.9
59.41169	0.5
61.02893	1.3
67.05483	1.2
69.03401	1.5
69.07042	0.6
69.54531	2.1
69.54936	1.2
70.99999	0.4
76.92690	0.5
79.05470	0.9
81.03381	0.9
81.07014	2.0
83.04930	1.5
84.87900	0.5
85.02872	0.5
87.04374	0.5
91.05423	1.3
91.84656	0.5
93.06989	2.3
95.04916	1.8
95.08552	2.2
97.06463	0.5
97.88974	0.5
98.21478	1.1
99.04404	1.6
103.05341	0.6
105.06977	2.2
107.08532	1.5
109.02868	4.6
109.06388	0.6
109.10120	1.2
111.04400	0.9
115.05368	0.5
118.95590	0.5
119.08528	1.7
121.02853	0.8
121.06499	0.5
121.10065	1.2
121.14166	0.5
123.11736	0.7
125.02292	1.0
125.09628	0.7
128.06117	0.6
129.06967	0.8
129.92924	0.5
131.04823	0.7
131.08517	1.0
133.10071	1.3
137.02304	0.7
138.40781	0.5
145.10071	0.9
147.04366	1.5
147.11633	0.5
149.02312	0.8
149.09584	1.0
151.07544	0.7
153.01784	0.5
161.02299	1.2
163.03859	2.1
165.09024	0.6
167.03398	12.1
169.10083	0.7
171.11613	0.7
175.03928	2.3
185.05908	1.0
187.03833	1.2
189.01801	3.4
191.10612	0.7
201.05476	0.6
203.03421	5.9
207.02853	3.9
213.05469	0.9
215.03423	0.6
217.04965	0.6
227.07040	1.1
228.04149	1.3
229.04893	1.0
231.02849	1.5
231.06430	0.7
241.04860	1.2
243.02942	0.5
243.06659	0.6
244.03752	1.1
245.07982	1.2
253.05045	0.7
255.02853	0.8
257.04425	1.5
259.06067	2.9
266.05801	0.8
268.03702	1.9
269.04385	1.5
270.05167	1.1
271.05994	1.5
273.07574	1.1
282.05148	0.8
283.02362	1.3
283.05994	3.1
284.03101	4.3
285.03796	0.7
285.07489	1.7
287.05499	12.4
293.04367	0.6
294.05209	0.8
297.04077	0.6
298.04651	0.8
299.05551	2.6
299.08691	0.5
300.02844	0.7
300.06171	1.7
301.07047	0.9
309.07513	0.8
311.05505	6.0
312.02689	0.9
312.06155	1.7
313.03497	1.0
314.04190	2.4
315.04984	7.4
321.03998	0.7
322.04489	0.9
325.06967	3.9
327.04984	22.8
328.05634	3.3
329.06583	0.7
337.07068	1.3
339.05023	1.2
340.05667	0.8
341.06607	0.7
342.03720	4.7
343.04480	18.2
353.06320	3.3
355.04498	1.2
355.08197	6.3
357.06015	100.0
358.06381	3.4
365.06442	1.2
367.04434	1.0
371.07443	0.7
379.07870	0.6
381.06033	11.0
382.06287	0.6
383.07581	17.5
399.07071	11.5
407.07562	5.3
425.08624	32.2
426.08789	1.3
443.09515	3.3
443.28098	0.6
461.10745	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	461.109
Annotation	Tenuecyclamide B
Peak:m/z	Relative Intensity
53.03898	2.1
55.01829	1.1
55.05501	6.0
57.03398	1.9
58.20161	0.8
58.31606	0.7
61.02894	1.2
67.05502	6.9
68.05802	1.2
69.03381	2.5
69.07008	3.0
71.04955	0.9
75.05948	0.7
79.05486	7.2
80.05779	1.6
81.03410	15.3
81.06615	0.7
81.07047	9.9
82.03744	3.7
82.07369	1.5
83.04971	3.5
83.08618	3.7
84.08913	1.1
85.02851	1.2
91.05470	7.3
92.05759	2.2
93.07045	6.7
94.07343	1.1
95.04488	0.7
95.04948	6.9
95.08585	4.9
96.05221	1.2
96.08916	1.1
96.53480	0.8
97.06480	1.7
97.10117	3.1
98.21545	1.2
99.04419	0.9
103.05450	0.8
105.07005	5.6
106.07291	1.8
107.04912	2.9
107.08589	5.2
108.05255	1.3
109.02823	2.2
109.06466	1.8
109.10087	2.6
111.04403	1.3
111.08004	2.6
112.08377	0.9
115.05399	1.2
117.06954	3.0
118.07329	1.1
119.08566	4.6
120.08890	1.2
121.06414	2.7
121.10072	3.0
123.04371	1.0
123.08026	1.6
125.02316	1.1
125.09569	2.2
129.07034	3.9
130.07259	0.9
131.04872	2.1
131.08548	4.1
132.08786	0.7
133.06462	1.2
133.10034	2.4
134.06790	0.9
135.07983	1.2
137.09535	1.6
141.06992	1.2
143.08488	1.4
145.06448	4.0
145.10057	2.1
146.06749	1.3
147.04379	1.8
147.07970	2.0
147.11609	2.1
149.09569	2.1
149.13193	1.6
151.07475	2.2
153.06714	0.8
155.04849	1.0
155.08510	1.3
157.10042	2.3
158.10376	1.8
159.08006	1.1
159.11664	1.5
161.02293	0.8
165.09084	5.1
167.03389	15.6
171.07991	1.5
171.11653	1.0
173.05968	0.8
173.09549	1.0
175.03764	1.5
175.11136	1.7
176.11533	0.9
177.09067	0.9
183.11562	1.1
185.05954	1.7
187.03905	0.8
187.11142	1.0
189.11159	0.9
193.12242	5.7
194.12579	4.3
195.12807	1.5
201.05296	1.5
203.03349	4.4
207.02792	1.0
213.05402	1.3
215.03362	1.0
223.31717	0.9
225.05397	0.9
228.03952	0.8
229.04877	1.8
235.02234	0.9
239.03391	0.9
241.04991	1.7
243.02884	3.7
243.06517	1.4
249.14922	1.0
253.04773	1.8
255.06419	1.5
257.04520	1.6
259.05945	1.7
266.05667	1.4
267.06479	1.7
268.03595	0.9
269.04391	4.8
271.05945	2.8
272.06729	1.3
273.07617	1.8
273.14749	1.0
274.15210	1.5
280.06927	0.8
281.04437	2.7
281.07489	0.8
282.05066	1.3
283.02698	0.9
283.06003	4.0
284.03116	2.7
287.05444	3.8
293.04269	1.1
294.05322	1.3
296.03271	1.0
297.03839	3.4
299.05600	5.4
299.08847	1.3
300.03143	0.7
300.06183	4.8
301.06955	0.9
309.07547	2.7
310.04639	4.5
311.05432	12.4
312.02792	0.9
312.06137	2.4
315.04843	4.9
319.06088	0.7
325.03378	1.4
327.04950	24.7
328.05740	6.6
329.06491	3.0
333.07559	1.3
336.06265	1.1
337.07040	2.7
339.04996	1.7
341.06262	1.8
343.04456	13.9
350.21820	1.9
351.08606	0.9
351.22574	3.1
355.04510	1.4
355.08145	7.6
357.06009	100.0
358.06256	2.4
358.24377	0.9
359.24640	0.8
361.07034	2.8
364.05734	1.2
365.06445	6.0
367.04398	3.4
368.22845	3.8
369.23566	5.3
379.08282	1.3
381.05991	1.5
383.07501	8.2
385.66870	0.9
386.23984	3.4
387.24496	4.3
389.06610	1.2
399.07050	5.5
407.07596	48.6
408.07977	1.3
425.08603	28.0
443.09857	2.4
443.27792	3.4
460.27560	5.5
461.10742	27.2
461.28433	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09933	0.9
53.03938	1.4
55.01870	3.6
57.03437	4.3
57.07073	16.6
59.99621	1.0
61.02932	7.9
63.04484	16.3
69.03425	18.0
69.35456	1.7
69.35856	7.9
70.06574	1.6
71.04989	2.0
73.02911	3.5
80.68436	0.8
81.03424	7.6
83.04992	1.0
85.02903	100.0
87.04465	3.5
91.03966	6.6
97.02892	26.4
99.04432	5.0
101.09663	1.7
105.07027	1.2
109.02868	9.4
115.03972	1.7
119.05058	1.2
119.10690	88.7
121.10232	1.5
127.03915	25.9
138.05525	1.1
145.04958	44.5
147.04340	1.1
153.01859	2.6
161.05905	1.5
163.03940	2.2
163.06004	17.3
166.08601	1.0
177.05441	1.0
182.04993	2.7
183.05170	1.1
191.31683	1.0
193.08659	1.2
202.08665	1.0
208.02934	3.6
209.03058	2.6
281.16068	1.0
298.10687	1.2
325.11453	2.1
328.08774	2.2
425.76132	1.1
444.96326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01857	2.9
57.03444	3.0
57.59838	0.6
59.04978	1.2
61.02918	4.0
67.05484	1.3
68.69801	0.6
69.03431	10.2
69.18935	0.5
69.22679	5.5
70.06557	0.7
71.04973	1.1
73.02911	2.3
73.06551	2.6
81.03434	3.7
83.04967	1.1
85.02901	28.0
87.04441	1.5
91.03924	1.2
91.05495	0.7
92.04995	1.1
94.06561	7.6
95.01315	0.7
95.04950	1.7
96.08116	1.2
97.02884	8.4
99.04436	2.5
101.02399	0.7
103.03912	2.3
105.06960	0.8
106.06528	2.2
109.02869	3.0
111.04424	2.1
115.03909	1.0
115.05426	0.9
117.05747	2.1
118.06539	10.4
120.04458	21.6
120.61743	0.6
121.10162	0.9
123.04421	4.1
124.07598	4.8
127.03913	3.6
130.06509	5.1
132.04453	1.5
132.08090	13.7
136.07564	15.7
139.03891	7.7
144.08069	1.9
145.04941	3.2
146.06000	34.5
148.07605	2.9
149.11722	2.1
151.03870	2.9
156.08076	2.1
158.06001	1.7
158.79462	0.5
159.06764	1.1
160.07568	30.7
164.07072	0.8
166.08650	1.1
167.07295	0.5
168.08102	0.8
169.04967	1.4
172.07578	7.4
174.09047	0.9
178.08563	1.4
184.07545	4.4
186.09140	1.3
188.07082	1.1
196.07526	1.6
198.09235	2.6
201.78600	0.7
202.08565	3.4
214.08617	3.7
220.09808	0.9
226.08601	2.3
232.09703	1.4
238.10716	2.4
244.07474	0.6
244.09685	3.2
262.10742	3.1
280.11792	8.8
298.12833	100.0
299.13211	1.9
386.82388	0.6
460.23569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01880	1.5
57.03422	0.4
58.99580	1.2
61.02909	0.6
61.94941	0.2
67.05476	0.3
68.99776	0.8
69.03415	0.7
70.62971	0.6
70.63340	0.6
73.06544	1.3
76.02236	2.6
79.05496	0.7
81.03420	0.3
81.07057	1.4
85.02907	3.5
86.99045	1.0
91.05482	0.9
93.07056	2.1
95.04959	0.5
97.02892	1.0
100.02213	0.7
103.05477	2.4
104.63003	0.3
105.00094	1.9
105.07018	3.0
107.04969	0.6
121.06503	13.1
122.02730	24.7
122.06885	0.4
127.03886	0.7
131.04935	2.7
133.06447	0.5
135.04372	0.4
139.64337	0.3
145.04915	0.6
146.02742	0.5
149.05978	28.0
149.11783	0.7
150.06297	0.5
159.04414	3.1
164.03719	0.3
177.05467	100.0
178.05789	1.7
230.98360	0.3
239.84178	0.3
249.28123	0.3
284.08078	2.0
298.07394	1.0
316.09290	0.3
335.01761	0.3
420.25043	0.3
460.13162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3832
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03949	4.2
55.05504	24.4
56.59946	2.9
57.03441	2.8
57.07067	7.0
59.04977	5.1
67.05505	23.3
69.03407	6.5
69.07066	28.8
69.49050	6.7
69.49453	19.7
71.04975	14.1
72.28365	3.3
79.05497	18.0
81.03362	4.6
81.07056	52.7
82.03506	3.2
83.04935	5.2
83.08601	10.2
85.06519	7.0
91.05481	20.8
93.07041	42.0
94.07346	3.5
95.08608	72.9
97.06493	6.6
97.10168	7.4
99.08091	32.5
105.07022	39.1
107.08591	69.7
109.06493	7.4
109.10149	52.4
111.11663	4.4
117.07004	9.1
119.08579	65.0
121.10132	51.3
123.08038	6.2
123.11706	27.1
125.09626	24.0
127.07520	17.1
127.11179	9.8
129.06982	5.4
129.09096	3.5
131.08562	18.3
133.10124	48.2
135.08028	4.3
135.11688	60.2
137.09613	5.4
137.13260	10.9
143.08549	8.4
143.10692	47.9
145.10118	34.6
147.11685	42.5
149.13246	20.9
151.11209	6.9
157.10112	10.1
159.11703	37.9
161.13260	27.3
163.11136	7.4
163.14816	21.4
169.10121	4.2
169.12309	4.7
171.11731	8.8
173.13274	16.9
175.14819	20.2
177.16435	6.6
185.13168	6.1
187.14789	28.1
189.16368	56.1
191.17940	34.6
199.14862	5.8
201.16338	17.7
203.18019	18.4
207.17447	41.6
213.16376	6.3
215.17993	20.6
217.15860	5.9
217.19502	7.3
219.17412	23.3
231.17453	3.9
233.19003	14.4
243.20892	3.1
261.22278	3.7
299.55795	3.8
361.68243	3.6
405.34830	12.0
423.36249	31.2
441.37692	36.2
442.37646	4.6
459.31659	8.6
459.38483	100.0
460.38782	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	459.3831
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
52.77798	1.6
53.03941	2.6
55.05508	8.6
57.03428	2.5
57.07063	4.1
67.05502	14.1
69.07066	17.2
69.57542	7.6
69.57952	3.6
77.88917	1.5
79.05489	13.7
81.03421	3.2
81.07047	36.2
83.04967	2.6
83.08626	7.0
85.02913	1.9
85.06550	3.0
89.06048	2.3
91.05463	12.7
93.07040	28.1
94.15198	1.8
95.04968	6.5
95.08605	51.4
97.06525	4.2
97.10179	4.2
99.04564	1.7
99.08047	1.6
105.07021	29.4
107.08588	42.4
109.06507	4.9
109.10151	37.4
110.81026	1.9
117.07051	4.1
119.08577	41.8
119.09384	3.1
121.06522	1.8
121.10135	32.9
123.08057	6.4
123.11706	15.4
130.07761	2.3
131.08549	11.8
133.10118	29.8
135.08041	5.3
135.11682	40.2
137.09607	4.7
137.13272	4.1
143.08571	6.0
145.10104	18.8
147.11661	21.1
149.13223	12.9
151.07535	3.3
151.11189	4.5
157.10133	4.3
159.11687	15.6
161.09567	2.3
161.13240	19.7
163.11160	2.7
163.14857	16.5
165.12805	2.3
171.11673	4.6
173.13239	10.7
175.11143	2.1
175.14819	14.7
177.12772	2.7
177.16367	10.8
179.14267	3.2
185.13365	2.1
187.11200	6.8
187.14780	10.0
189.12740	2.9
189.16385	32.7
189.17963	3.4
191.10641	13.6
191.17953	12.9
199.14871	3.4
201.16388	22.3
203.14491	2.0
203.17915	12.7
203.28012	1.9
205.16019	2.3
207.17438	54.3
213.16371	4.8
215.17915	15.0
217.19489	5.5
219.17427	85.4
227.17909	1.9
229.19522	4.7
233.19060	6.4
243.21178	5.6
251.07155	2.1
251.72319	1.9
255.21112	3.0
261.22278	3.2
269.22678	4.5
273.22183	2.7
283.06244	3.9
283.24194	4.4
301.25333	1.9
311.33105	1.8
340.27591	5.4
341.28281	3.7
367.26297	1.8
405.35245	4.7
411.36157	4.2
423.36490	16.4
441.37457	100.0
442.37720	5.4
459.38858	38.5
460.38144	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	459.383
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
55.05505	8.2
57.07070	4.2
57.58022	3.2
64.08723	3.7
65.72375	3.6
66.36501	3.6
67.05483	11.5
69.07061	14.1
69.46734	29.4
79.05499	8.0
81.07052	24.8
81.61485	3.3
83.08597	6.3
86.09717	9.4
91.05473	11.4
93.07018	21.0
95.08591	34.6
97.10159	5.5
98.20805	7.7
105.07024	15.9
107.08587	30.8
108.08141	5.2
109.10143	20.8
111.08047	3.9
119.08565	24.0
121.10148	16.1
123.08073	13.1
123.11708	6.8
131.08559	8.3
133.10089	22.6
135.11720	18.1
144.12439	4.5
145.10139	17.4
147.11682	15.6
149.13268	7.1
159.11652	18.7
161.13237	6.9
163.14793	9.6
169.69405	4.5
173.13261	8.6
175.14845	9.1
177.16345	5.3
179.03200	3.3
189.16357	20.7
191.17989	6.0
201.16499	16.4
203.17978	13.7
207.17458	22.5
214.98770	3.5
215.18013	17.0
217.19533	6.6
219.17516	6.8
221.27881	4.1
233.18965	11.3
233.82103	4.1
255.05481	3.7
281.62552	3.5
331.26285	12.5
345.27814	17.9
354.23166	3.4
423.36252	15.4
441.37289	100.0
442.37509	10.6
459.31854	4.7
459.38171	5.2
460.22629	5.1
484.59201	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	459.3463
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03939	0.6
55.01875	0.3
55.05507	2.9
56.26171	0.2
57.03417	0.4
57.07067	0.7
59.05001	0.3
65.03931	0.5
67.05499	4.3
69.03415	0.7
69.06729	0.3
69.07063	3.5
69.44958	1.9
70.38683	0.2
71.04972	0.4
71.61253	0.2
79.05484	4.9
81.03417	1.6
81.07048	10.0
83.04958	0.6
83.08611	2.9
85.06557	0.3
91.05473	5.5
93.07033	8.9
95.04959	2.3
95.08597	12.4
97.06506	1.0
97.10156	0.9
98.97130	0.3
103.05447	0.4
105.06312	0.4
105.07024	9.8
107.04953	1.4
107.08582	15.6
108.08919	0.2
109.06509	2.7
109.10147	5.5
111.08078	1.0
115.05418	0.4
116.06217	0.3
117.06992	2.5
119.08570	10.1
121.06506	2.2
121.10128	9.6
123.08056	5.5
123.11689	1.3
125.09627	1.3
128.06190	0.3
129.06984	1.5
130.07770	0.4
131.08556	9.0
132.03128	0.2
133.06490	0.5
133.10121	6.6
135.08041	3.6
135.11679	3.4
137.05876	0.2
137.09601	1.5
137.13252	0.3
141.06984	0.2
142.07742	0.4
143.08566	2.8
144.09358	0.4
145.06474	0.5
145.10106	11.3
147.08057	1.2
147.11670	8.3
149.09595	1.8
149.13243	3.9
151.11189	1.0
155.08543	0.9
156.09357	0.5
157.10107	3.2
157.11319	0.3
158.10919	0.5
159.11671	6.7
161.09596	1.0
161.13252	3.7
163.11165	1.6
163.13437	0.3
163.14803	6.3
163.16124	0.4
165.09097	0.4
165.12753	0.4
167.08603	0.4
169.10110	0.9
170.10912	0.6
171.11685	2.0
172.12508	0.3
173.09518	0.3
173.13258	5.8
175.11139	1.6
175.14801	2.8
177.12775	1.2
177.16364	3.5
179.14368	0.3
181.10020	0.3
183.11685	1.1
185.13231	2.8
186.14082	0.2
187.11205	0.7
187.14804	8.0
187.16473	0.4
189.11302	0.3
189.12697	1.1
189.16383	1.2
191.14294	5.5
191.17938	0.9
193.10088	0.2
193.12228	0.6
195.11664	0.4
197.13260	0.9
199.11087	0.3
199.14818	2.3
201.12750	0.3
201.16348	5.7
203.10692	0.3
203.14320	3.5
203.17923	4.1
205.15855	20.2
206.16255	0.3
209.13380	0.3
209.15242	2.3
211.14809	0.6
213.16357	1.5
215.14369	0.4
215.17926	1.7
217.15808	0.4
217.19553	0.2
219.17432	2.6
221.15334	0.5
223.14725	0.3
225.16406	0.3
227.14430	0.3
227.17953	0.7
229.15927	0.4
229.19531	0.8
231.17310	0.4
239.18051	0.2
241.19501	0.7
243.21030	0.4
251.17862	0.4
253.19427	0.3
255.21010	1.7
257.22424	0.4
269.22702	0.7
279.20981	0.3
281.22470	0.3
293.22540	0.2
309.22070	0.4
339.22931	0.3
349.21777	0.5
357.46426	0.2
363.25259	7.1
365.28256	0.2
367.22540	0.9
375.30072	0.2
385.23734	0.9
389.26859	6.7
405.31451	1.3
423.32590	0.9
441.27411	0.4
441.33545	3.9
459.34634	100.0
460.35016	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	459.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	2.3
55.05512	9.1
57.07056	2.6
61.62701	1.2
67.05492	12.8
67.14764	1.3
69.03395	2.7
69.07069	13.8
71.04980	1.1
71.10336	1.6
71.10658	2.0
79.05489	10.0
81.03403	1.8
81.07058	27.6
82.07400	1.4
83.04981	3.9
83.08633	7.7
84.05292	1.5
85.06568	2.3
91.05466	13.5
93.07036	29.2
94.07378	2.0
95.04981	3.8
95.08606	42.2
96.08945	3.6
97.06550	1.8
97.10178	3.2
99.04475	1.8
101.06002	1.6
105.06318	1.9
105.07026	36.4
106.07386	2.2
107.04949	1.6
107.08586	39.3
108.08939	3.6
109.06512	3.7
109.10153	22.6
110.10484	2.8
111.08104	2.2
111.57400	1.1
117.07021	5.8
119.08578	74.3
120.08913	3.6
121.06552	3.0
121.10141	22.8
122.10511	2.6
123.08070	2.5
123.10942	1.1
123.11677	6.5
125.09625	2.6
129.06973	3.1
130.07805	1.7
131.08553	10.9
133.06529	1.6
133.10124	36.1
133.11102	1.9
134.10484	2.2
135.08102	2.5
135.11687	25.7
136.12000	2.2
137.13297	4.3
142.07764	3.0
143.08580	5.7
145.10118	33.7
145.91200	1.7
146.10623	1.6
147.08116	1.8
147.11682	29.6
148.12067	2.2
149.09624	3.6
149.13287	6.4
155.08505	1.6
156.09311	2.3
157.10138	11.3
158.10738	1.5
159.11673	19.4
161.09659	4.8
161.13249	10.0
163.11174	50.3
163.14857	3.0
165.12712	2.9
167.08626	1.4
169.10172	2.2
171.11681	9.3
173.09619	7.1
173.13199	7.0
174.13632	1.2
175.11238	3.3
175.14838	10.4
176.15166	2.2
177.12848	2.6
177.16435	3.4
178.16689	1.9
181.10078	1.5
183.11711	2.7
184.12347	1.2
185.09720	1.5
185.13301	5.2
187.14841	12.5
189.09146	5.3
189.12793	8.6
189.16380	100.0
190.16756	4.6
191.10661	34.2
191.12346	2.1
191.14241	1.9
191.18033	2.6
193.12270	4.2
195.11745	1.4
197.13286	4.9
199.14853	4.6
201.12825	1.5
201.16289	6.8
203.17902	11.4
205.12297	3.0
205.19495	1.6
207.13756	7.4
207.17616	1.8
209.08028	1.3
209.11766	3.5
211.14890	2.4
213.16371	9.0
215.18102	2.0
217.19682	1.6
219.13835	1.9
223.14832	2.4
225.16391	1.4
231.17456	2.5
233.15398	2.8
235.16876	15.7
237.16611	1.6
241.16014	1.9
241.19608	2.0
243.13881	1.6
245.15497	1.7
247.16930	2.3
249.18465	1.8
253.19553	1.6
255.17392	2.1
255.21112	1.4
257.15363	10.2
259.17020	3.9
271.17203	1.8
273.18521	2.7
285.18512	2.6
299.20120	5.1
301.21765	1.2
311.20059	2.0
334.29968	1.7
351.30539	2.3
359.27100	1.5
377.28442	8.9
395.29425	49.4
396.29770	3.8
413.30432	3.7
423.28870	3.2
423.35864	1.3
441.29913	65.4
442.30545	3.9
459.31122	9.8
459.37463	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65374	0.6
53.03945	6.3
55.01867	8.4
55.05505	29.7
57.03428	5.5
57.07064	1.7
59.04992	1.7
65.03929	3.0
66.36501	0.8
67.05499	44.1
69.03422	5.0
69.07064	10.9
69.17489	7.4
71.04975	4.6
77.03920	1.0
79.05486	45.7
81.03413	85.9
81.07047	35.3
82.03758	1.3
83.04977	12.4
83.08614	23.2
85.02889	1.1
85.06521	2.4
91.05473	48.7
93.07036	26.4
94.11070	0.7
95.04960	32.0
95.05573	1.6
95.08601	18.1
97.02917	1.7
97.06525	5.8
97.10162	17.3
99.04496	0.7
99.08080	1.5
103.05443	1.7
105.03392	1.2
105.04505	1.2
105.07021	31.9
107.04948	21.6
107.08578	18.4
109.02869	2.2
109.06506	7.7
109.10143	10.0
111.04452	2.0
111.08074	7.9
115.05438	4.5
116.06185	0.9
117.07015	11.4
119.04929	2.2
119.08571	23.9
121.06491	13.1
121.10127	8.0
123.04404	2.5
123.08051	5.8
123.11696	1.6
125.06004	0.9
125.09622	13.0
127.52800	0.7
128.06200	2.7
129.06995	18.5
130.07716	1.1
131.04944	5.9
131.08548	20.5
133.06491	10.5
133.10118	14.5
135.04390	0.9
135.08035	5.5
135.11693	2.4
137.05975	1.3
137.09612	3.1
139.07559	1.2
139.11166	1.0
141.06989	4.8
142.07764	4.7
143.08548	8.0
143.10680	0.9
144.05728	2.4
145.06477	23.1
145.10109	7.4
146.07132	0.9
147.04395	2.7
147.08040	9.3
147.11681	11.8
149.05826	1.4
149.09619	7.5
151.07533	5.9
151.11086	1.0
153.07050	1.3
153.09041	4.0
153.12744	1.3
155.08580	5.3
156.09389	0.9
157.06494	5.4
157.10118	17.8
159.08069	5.5
159.11717	3.3
161.05984	2.8
161.09659	3.2
161.10818	0.6
163.07582	1.2
163.11208	3.8
165.07005	1.1
165.09042	3.3
165.12767	3.0
167.08572	2.8
169.06516	2.1
169.10063	3.9
171.08041	7.0
171.11703	3.2
173.09595	3.8
173.13281	1.8
175.07588	1.3
175.11180	16.2
177.12720	1.1
179.08479	1.5
181.06383	1.2
181.10101	2.2
183.08043	1.9
183.11717	1.9
185.09607	3.1
185.13266	3.0
187.11172	2.7
187.14745	1.7
189.09470	1.2
189.11209	7.2
189.12799	2.2
191.10606	1.1
193.12230	45.4
194.12610	1.5
195.08034	1.8
195.11711	4.4
195.13205	0.7
197.09639	1.9
197.13228	3.9
199.11182	3.9
199.14737	0.9
201.12726	1.4
203.14349	1.7
205.12177	1.3
207.13799	0.7
209.13310	1.2
211.11255	1.7
211.13219	1.9
212.11993	0.8
213.12735	3.0
215.14326	4.2
217.12253	1.6
217.15837	1.2
219.11688	0.7
222.10373	0.8
223.11197	1.5
225.12808	2.3
227.14293	2.1
231.13760	1.9
233.13306	0.9
233.15355	4.8
235.11169	1.2
237.12758	2.7
239.14310	1.4
243.13844	2.5
245.15413	1.9
249.14824	5.6
251.14264	1.3
253.15800	1.4
255.13780	5.5
257.15439	2.4
259.13293	1.6
267.15884	1.6
269.15381	1.2
271.16812	1.9
273.12030	0.6
273.14807	16.6
275.16449	1.4
281.15375	1.0
283.16928	1.1
287.16476	2.1
289.18201	1.3
297.18311	0.9
311.05496	1.6
311.16455	1.3
311.23575	0.9
321.22192	2.2
331.20334	1.0
339.23044	4.7
349.21548	14.8
357.24164	4.4
367.22653	39.8
368.23236	1.7
385.23709	36.4
386.24088	1.2
395.25812	0.9
399.11108	1.0
403.24789	8.3
405.24304	1.6
413.26508	0.8
415.24921	0.9
423.25186	2.2
441.26273	5.1
459.27371	100.0
460.27679	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	459.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87213	3.1
51.34413	2.9
59.05001	6.5
67.05495	13.7
68.93756	3.2
69.03422	10.1
69.07069	8.6
69.63663	22.8
70.76785	3.1
71.04987	9.7
73.02939	4.0
79.05487	19.4
81.03412	5.9
81.07063	49.8
83.04984	5.8
85.02885	9.1
91.05464	3.7
93.07027	17.9
95.04964	15.8
95.08623	16.0
97.02896	8.7
97.06514	5.6
101.07195	3.2
105.07027	12.2
107.08607	10.0
109.06511	5.3
109.10167	5.8
111.04449	4.2
113.02368	100.0
116.15462	3.1
119.08595	6.1
121.02872	15.6
121.10146	91.5
123.08076	3.4
123.11707	34.7
125.06001	17.6
125.09612	4.3
127.03893	5.7
130.08681	6.9
136.64328	2.9
137.06026	4.0
139.11182	23.7
140.71315	3.5
143.10663	7.6
145.04921	3.1
147.04375	3.5
147.11676	4.5
149.09636	18.2
153.01764	4.6
167.10693	53.4
177.05446	4.5
185.11725	9.6
197.05818	4.0
205.90022	3.2
233.02402	3.0
311.14838	6.1
440.51062	4.0
459.22708	22.7
475.43237	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89424	2.4
51.78284	2.4
53.03934	3.1
54.75788	2.2
55.05516	11.6
57.07074	6.6
59.31250	2.4
66.38223	2.3
67.05508	19.7
69.03416	3.3
69.07069	23.6
70.48543	2.1
79.05477	16.4
81.07052	49.1
83.08610	13.8
91.05002	2.6
91.05465	17.0
93.07045	37.1
95.04987	6.1
95.07984	4.8
95.08604	100.0
96.08917	5.3
97.06519	2.7
97.10159	4.6
99.08111	3.5
102.44481	2.5
105.07028	32.2
106.07347	3.8
107.07882	4.3
107.08588	59.4
108.08964	2.9
109.06523	3.9
109.10156	47.6
111.08083	4.9
117.07059	3.4
119.08576	53.3
120.08936	5.2
120.74505	2.3
121.09355	2.0
121.10143	50.4
122.10507	3.0
123.08046	4.6
123.11697	26.3
125.09575	3.1
131.08560	15.9
133.10127	41.4
134.10486	2.8
135.11694	45.0
136.11974	3.0
137.09569	2.8
137.13266	9.9
142.07755	2.7
143.08601	6.2
145.10123	20.5
147.11679	33.4
148.12062	4.4
149.13252	18.3
151.11182	3.0
153.09064	4.8
155.08498	3.0
157.10085	5.5
159.11703	17.8
161.13264	27.2
162.13608	2.9
163.11174	3.9
163.14828	21.0
165.12709	4.8
169.10135	4.9
171.11659	6.8
173.13295	13.1
175.11259	3.1
175.14867	20.6
177.12723	3.6
177.16391	14.3
178.16725	2.8
179.14319	2.4
185.13278	5.8
187.14809	18.4
189.16377	70.0
190.16716	9.2
191.17976	55.8
193.15923	3.5
199.14880	2.7
201.12840	3.4
201.16391	18.3
203.14371	4.2
203.17987	48.2
204.18312	6.1
205.15982	6.0
205.19518	4.5
207.17470	11.3
213.16373	7.3
215.17979	16.0
217.15929	5.5
217.19473	7.7
219.17390	4.4
221.18913	6.1
227.17934	3.0
229.19478	3.3
231.17429	3.8
231.21042	8.0
235.16980	10.5
241.19475	4.0
247.16910	5.6
249.18501	16.7
255.21053	3.0
257.22510	4.1
259.16998	3.2
393.35031	6.6
411.36108	35.0
421.34875	6.0
439.36212	40.8
457.37418	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	457.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	1.5
55.05508	5.9
57.03420	1.3
57.07068	2.7
59.04992	1.1
65.03922	2.0
67.05505	17.0
69.03407	1.5
69.07072	8.0
70.16566	2.6
70.16971	1.6
71.04985	4.1
79.05496	8.9
81.03421	1.1
81.07058	24.7
83.04976	2.8
83.08616	3.1
85.02907	1.7
85.06551	1.0
91.05478	14.2
93.07045	17.0
95.04971	2.9
95.08606	34.6
96.08929	0.9
97.06522	3.1
97.10130	1.2
98.21520	0.9
99.04436	1.1
99.08083	3.4
105.03374	1.6
105.07025	19.5
107.04942	2.0
107.08595	28.7
107.09315	1.4
108.08928	1.0
109.02793	0.9
109.06490	2.4
109.10155	22.0
110.10513	0.9
111.04400	1.0
111.08106	4.4
111.11731	1.0
115.05482	1.3
117.07033	3.9
119.08570	20.2
120.08897	1.6
121.02864	4.0
121.06520	1.7
121.10133	20.0
123.08054	2.5
123.11703	10.1
123.13309	0.8
125.09579	2.5
127.03907	1.5
128.06235	1.0
129.06992	3.0
131.04848	1.0
131.08575	9.3
133.06514	1.2
133.10126	20.8
134.10376	1.2
135.08032	1.7
135.11684	13.9
137.05997	1.0
137.09616	2.2
137.13255	3.6
139.07549	1.6
141.06990	1.2
143.08501	4.9
144.80089	1.0
145.10114	13.1
147.04434	1.1
147.08043	1.1
147.11679	17.2
149.02330	5.4
149.09625	3.2
149.13254	12.4
150.02609	0.9
151.07591	2.6
151.11194	4.2
153.01819	3.5
153.12712	1.0
155.08545	1.5
157.10110	5.6
159.07936	1.0
159.11684	10.6
160.07526	1.2
161.09657	1.0
161.13266	11.1
163.11189	1.9
163.14825	5.8
165.09096	6.4
165.12827	1.9
167.14294	2.0
169.10092	1.8
171.11679	4.3
173.13252	8.6
175.11183	1.5
175.14803	12.3
177.12776	1.4
177.16429	6.7
179.14320	3.1
183.11697	2.8
185.13268	4.3
187.11125	1.1
187.14806	7.6
189.12709	1.7
189.16391	4.6
191.10622	1.3
191.14288	3.1
191.17924	3.2
193.15921	3.7
197.13322	2.1
199.14833	3.6
201.12743	2.0
201.16374	5.7
203.14212	1.8
203.17975	11.5
205.06563	1.3
205.08444	1.1
205.15807	2.2
207.17426	3.6
209.13406	1.6
211.14810	1.8
213.05357	1.0
213.16483	1.8
215.14264	1.0
215.17935	3.2
217.19505	1.9
219.13795	2.1
219.17403	5.9
221.19009	3.3
223.14905	1.5
223.16928	5.3
225.16353	2.1
227.17955	2.6
229.19524	1.7
231.17381	1.6
235.16975	1.1
237.05334	1.5
237.18437	5.4
241.09918	1.3
241.19507	1.9
243.21111	2.5
245.19020	1.9
247.16876	1.0
249.18431	2.8
251.06894	7.3
252.07428	1.1
252.09691	1.2
255.08177	2.0
255.21053	1.8
257.22675	1.3
261.22000	1.3
263.20142	2.4
269.09552	2.8
271.07489	1.1
271.20480	1.7
273.22092	2.9
275.20190	1.1
277.04999	1.3
277.21689	2.6
279.08026	2.9
280.08682	2.2
281.09589	2.9
282.06824	1.2
283.07361	1.3
285.22183	1.4
289.21616	3.9
292.08740	1.8
294.06735	1.8
295.07339	1.1
297.09085	8.4
298.06186	2.0
299.07034	1.3
303.23181	2.1
305.09714	2.0
307.07513	4.1
307.10605	1.1
308.08096	5.1
309.09067	17.4
310.06229	1.8
310.09418	2.2
311.06863	3.0
312.07581	1.4
315.06546	1.4
320.08160	1.9
323.07019	1.5
325.08536	13.2
326.05600	3.7
326.09125	1.5
327.06451	1.4
327.10172	1.7
329.08017	1.3
333.08990	1.7
334.09439	1.6
335.07007	3.4
336.07651	5.0
337.04974	1.6
337.08612	19.1
338.09009	3.0
339.06439	4.4
343.09650	1.4
351.10065	3.4
352.07220	2.8
353.08075	26.1
354.08466	6.9
355.09579	3.3
356.06854	1.7
357.07620	4.3
361.08594	2.8
362.09125	1.4
363.06451	4.6
364.07135	5.3
365.08035	5.7
366.08630	1.6
367.05850	1.3
369.07495	1.6
371.05270	4.3
371.09174	9.8
379.09695	10.3
380.06287	1.8
380.10422	3.6
381.07541	74.9
382.07974	16.8
383.09042	1.4
384.06152	2.3
385.06940	3.3
389.08328	1.8
392.06644	1.5
396.06165	4.0
397.10944	5.0
399.08630	100.0
400.08984	15.4
407.09109	14.7
408.09445	3.5
409.34717	1.8
421.34622	3.6
425.10110	8.8
426.10480	2.3
439.11813	11.1
439.36200	12.7
440.11752	1.6
457.12985	16.8
457.25565	1.7
457.37430	25.8
458.13229	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Cornulactic acid
Peak:m/z	Relative Intensity
55.05515	6.2
57.07062	4.5
66.43589	1.0
67.05509	8.0
69.07068	16.4
69.92146	0.9
70.07417	0.9
71.08624	1.5
71.26758	1.9
79.05482	4.3
79.75633	1.1
81.06603	1.2
81.07053	20.5
83.08620	5.1
91.05466	3.4
93.07040	8.5
95.04946	1.4
95.08604	36.7
97.10192	1.9
105.07020	7.0
107.08587	15.9
109.10152	17.7
111.11687	3.4
119.08585	13.6
121.10133	14.1
123.08051	2.0
123.11701	8.2
125.09648	1.6
131.08563	3.3
133.10114	12.7
135.07965	1.6
135.11664	8.2
137.13249	15.8
139.07538	2.5
143.08577	1.4
145.10109	5.6
147.08022	1.6
147.11681	9.0
149.09610	1.2
149.13271	4.1
151.07530	1.5
151.14796	3.0
153.09076	2.9
157.10117	2.6
159.11639	6.3
161.13272	4.8
161.14534	1.0
163.11188	2.0
163.14893	1.9
165.09103	3.4
167.10716	1.3
170.05637	1.2
171.11713	2.1
173.13260	4.6
175.11189	1.4
175.14830	13.2
177.16386	4.8
179.10657	2.7
185.13226	2.9
187.14842	3.5
189.16386	4.1
191.17934	4.2
193.12198	1.7
199.14772	2.0
200.20039	1.9
201.16380	2.3
201.20558	1.2
203.17964	5.6
205.19478	1.6
207.17603	1.3
213.16298	1.3
215.17982	3.0
217.12363	1.4
217.19502	1.5
219.13869	1.7
219.17236	1.0
221.15347	4.0
229.19432	3.7
231.17365	1.5
231.20940	1.1
240.18828	1.0
241.19521	1.4
243.21069	15.9
245.19122	1.1
245.22623	1.2
247.16910	1.2
247.20688	1.4
249.18393	2.4
255.21115	3.8
259.20651	1.5
261.18390	2.0
269.22662	1.8
275.19958	1.3
283.20587	1.2
283.26288	1.1
284.26764	1.6
287.20108	1.9
289.21744	1.4
301.21616	3.8
301.24854	1.1
303.23502	1.1
326.57739	1.2
329.24838	0.9
367.09039	1.1
393.35043	4.5
411.36197	28.6
412.36502	1.1
421.34671	3.3
439.35703	100.0
440.36063	2.9
457.31610	1.1
457.36581	16.3
457.44269	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	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05510	2.3
57.07066	0.7
59.20759	0.4
62.23965	0.5
65.52111	0.4
67.05515	4.2
69.03442	0.8
69.07063	3.0
69.45338	3.4
71.05013	0.6
79.05500	3.0
81.07054	8.8
81.46360	0.4
83.04974	3.9
83.08603	1.6
83.28293	0.4
85.06530	0.6
91.05486	3.1
93.07047	8.4
95.04956	1.4
95.08614	14.8
97.06532	1.6
97.10168	1.4
99.08105	0.5
105.07031	7.4
107.08588	12.4
109.06509	1.1
109.10148	9.0
111.08118	0.6
111.11727	0.5
117.07028	0.9
119.08584	10.5
121.06512	1.0
121.10143	9.1
123.08067	1.5
123.11716	3.7
125.09631	2.7
131.08585	2.6
133.10133	8.5
135.08080	2.2
135.11690	9.2
137.09573	0.6
137.13289	0.8
138.47415	0.4
139.07544	1.1
139.11147	0.6
142.07907	0.4
143.08582	2.2
145.10117	4.1
147.08067	1.3
147.11687	5.7
149.09610	3.4
149.13229	2.8
151.11197	0.7
155.08569	0.6
157.10143	2.1
159.11693	3.3
161.09627	3.5
161.13287	3.4
161.46144	0.4
163.11165	1.0
163.14799	2.0
169.10210	0.5
171.11717	1.8
173.09593	0.5
173.13231	2.6
175.11208	1.4
175.14827	6.9
177.16376	2.4
179.14421	0.5
183.11736	0.8
185.13301	1.9
187.11163	0.8
187.14870	2.5
189.12807	1.6
189.16380	6.7
191.14331	0.7
191.17969	1.7
197.13242	1.0
199.14850	1.0
201.12700	1.0
201.16409	1.8
203.14287	1.4
203.17941	4.0
207.10110	0.6
207.17395	1.0
211.14706	0.7
213.16423	1.3
215.14288	0.4
215.18002	0.5
217.15941	1.2
219.17413	0.5
221.18997	1.5
227.18037	0.7
229.15881	0.7
229.19525	0.5
231.17386	1.2
235.17014	2.7
241.19583	0.7
245.19043	0.6
249.18578	1.2
267.21072	0.6
285.22217	1.5
303.23257	1.2
366.10947	0.5
372.53754	0.4
411.35483	0.5
421.34653	1.3
439.35992	5.5
457.36789	100.0
458.37088	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	457.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.8
57.07074	3.9
58.96804	3.5
64.63358	3.7
67.05251	3.0
67.05505	36.8
69.07070	26.8
71.04953	4.0
79.05510	18.4
81.07053	52.3
83.04933	3.9
83.08611	10.4
85.06534	8.8
86.97289	3.5
91.05473	19.5
93.07043	46.6
95.08600	95.0
95.57598	4.3
97.10151	6.3
103.91529	3.9
105.07026	51.6
107.08584	81.2
109.10155	60.0
111.08075	7.6
113.09624	7.8
117.06992	9.9
119.08575	73.0
121.10145	66.1
123.08018	6.6
123.11668	21.8
125.09560	6.7
131.08539	18.0
133.10121	46.6
135.11690	43.0
137.09605	4.7
137.13245	7.5
139.11116	5.5
143.08542	8.9
145.10097	43.8
147.11674	45.7
149.13258	31.3
151.11203	10.0
157.10077	9.3
159.11671	38.6
161.13280	34.2
163.11130	5.0
163.14784	21.6
171.11671	10.0
173.13222	29.4
175.14812	49.5
177.12744	7.1
177.16405	22.5
185.13310	11.3
187.14861	30.4
189.16364	31.5
191.14267	14.2
191.17900	17.5
193.15910	13.9
199.14804	10.3
201.16370	43.3
203.14220	5.5
203.17947	19.2
205.15854	15.3
207.17427	10.6
211.14830	5.3
213.16367	11.8
215.18010	21.2
217.15816	6.1
217.19490	12.9
219.17441	27.2
221.18965	4.7
225.16280	4.3
227.17929	16.8
229.19495	8.9
229.63707	4.1
231.17397	9.8
233.19038	13.1
241.19551	5.3
243.21027	5.4
245.18939	8.5
255.20992	6.9
269.22577	5.4
332.20581	4.2
338.84042	4.1
393.35162	4.6
403.33493	17.0
411.36115	5.2
421.34607	100.0
421.40274	5.1
439.35687	57.9
457.36768	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.94375	3.0
53.03922	3.7
55.05506	13.3
55.07095	3.5
57.07069	4.7
59.04985	4.9
67.05492	26.9
69.07060	27.2
70.19896	8.8
70.20293	7.8
79.05492	19.9
81.07056	59.6
83.08605	12.0
83.94348	3.5
85.06539	9.7
91.05473	22.5
93.07039	59.5
95.04963	4.7
95.08604	100.0
97.06532	5.1
105.07030	57.4
107.08589	78.5
109.10160	51.2
111.08091	4.9
111.11725	3.6
113.09659	6.2
117.07004	7.6
119.08579	64.2
121.10147	55.0
123.08044	4.9
123.11705	23.6
123.17344	4.2
125.09582	7.1
129.07033	6.9
131.08556	24.2
133.10109	53.6
135.08041	3.5
135.11696	57.3
137.13274	7.9
143.08530	14.1
144.09277	4.3
145.10115	32.1
147.11679	44.3
149.13269	31.9
157.10120	13.9
159.11714	31.7
161.13232	36.9
163.14799	19.3
165.12743	4.1
169.10127	4.7
171.11726	16.1
173.13252	32.3
175.14832	39.8
177.12709	6.2
177.16396	36.7
179.14296	6.6
183.11678	4.8
185.13235	11.1
187.14815	31.7
189.16406	25.9
191.14320	22.3
191.17921	40.1
193.15953	8.9
197.13335	4.0
199.14774	11.7
201.16399	38.2
203.17912	33.6
205.15804	17.6
207.17404	7.2
211.14859	5.8
213.16362	15.9
215.17978	16.8
217.19560	9.5
219.17403	9.4
221.19032	6.9
227.17938	9.1
229.19353	8.3
231.17424	30.3
231.21013	4.7
235.16905	5.0
241.19421	5.3
243.17424	5.1
243.20879	5.0
245.19086	8.2
247.20686	4.1
249.18498	30.6
273.22208	4.3
285.22031	7.0
299.23807	5.2
338.00089	3.4
393.35138	15.6
399.32999	4.1
403.33698	7.7
411.36029	8.9
421.34717	63.8
439.35666	53.3
457.36826	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	457.3674
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03928	0.4
53.38114	0.3
55.01875	0.3
55.05502	2.7
57.07058	0.8
65.03911	0.5
67.05502	3.9
69.03418	0.5
69.06726	0.4
69.07066	4.3
70.22626	0.5
70.23016	0.7
70.61463	0.2
71.04971	0.5
73.70217	0.3
78.13924	0.3
79.05499	2.8
81.07052	9.6
83.04981	4.4
83.08611	1.6
85.06541	0.9
91.05484	3.3
93.06493	0.5
93.07040	7.7
95.04954	1.2
95.08600	14.7
97.06509	0.9
97.10179	1.3
105.06312	0.5
105.07021	9.3
107.08588	12.7
109.06507	1.3
109.10152	8.3
111.08071	1.5
111.11732	0.4
117.07006	1.1
119.07715	0.5
119.08573	10.4
120.08932	0.3
121.06509	1.0
121.10139	9.2
123.08079	1.5
123.11698	3.8
125.09618	1.2
129.07021	0.9
131.08571	2.7
133.06535	0.4
133.10123	8.2
135.08040	1.9
135.11681	8.6
137.09602	1.2
137.13240	1.2
139.07541	0.7
139.11180	0.9
141.07002	0.4
143.08568	1.5
145.06569	0.3
145.10109	4.2
147.08029	1.2
147.11685	4.9
149.09621	3.3
149.13264	3.5
151.11136	0.3
153.12703	0.4
155.08534	0.9
157.10110	2.3
157.76387	0.3
159.08057	0.4
159.11674	3.1
161.09630	2.6
161.13234	4.2
163.11197	1.2
163.14799	2.0
169.10207	0.7
171.11601	1.8
173.09677	0.5
173.13263	2.9
175.11250	1.5
175.14807	7.4
177.12752	0.7
177.16376	5.7
178.16742	0.3
179.14331	1.0
181.10124	0.3
183.11682	0.7
185.13232	1.4
187.11162	0.8
187.14850	3.5
189.12729	0.8
189.16365	7.9
191.14276	0.6
191.17921	3.4
193.15802	0.4
197.13353	0.4
199.14787	1.5
201.12857	0.4
201.16393	1.9
203.14261	2.2
203.17928	5.6
207.17487	1.5
211.14877	0.7
213.16335	2.3
215.14359	0.3
215.18016	1.2
217.15952	1.4
217.19440	0.3
219.17442	0.6
221.15512	0.4
221.18993	1.9
223.14720	0.4
225.16409	0.7
227.17952	0.8
229.15848	0.8
229.19560	0.7
231.17384	2.2
235.16943	1.9
239.18080	0.4
241.19566	0.5
243.17418	0.4
243.21164	0.4
245.19099	0.8
247.16924	0.3
249.18484	3.3
251.18050	0.3
253.19635	0.3
255.21155	0.6
257.22610	0.4
259.20734	0.5
263.20294	0.4
267.21133	1.0
271.20386	0.3
273.22113	1.4
275.19888	0.3
285.22092	1.6
299.23798	0.3
303.23175	1.9
317.08698	0.3
338.04092	0.3
351.30502	0.4
383.80142	0.3
409.34378	0.4
421.34784	1.3
427.35590	1.2
439.35962	5.7
457.36761	100.0
458.37131	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	457.3677
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
55.05509	14.1
55.06461	1.6
57.07064	4.5
58.14665	1.8
65.40970	1.8
67.05511	14.9
69.07074	17.7
79.05486	12.1
81.07059	36.9
83.08607	9.2
85.10189	1.9
85.96674	1.7
91.05507	10.2
93.07043	33.0
93.34286	2.0
95.08604	82.2
97.06520	2.4
97.10181	7.3
105.07037	24.4
107.07883	3.7
107.08595	56.7
108.08923	1.6
109.10147	50.4
111.08070	4.0
111.11758	2.3
117.07041	3.8
119.08578	54.4
120.85726	1.8
121.10141	56.6
123.11696	17.3
127.11198	1.9
131.08571	4.3
133.10123	43.1
135.07982	2.3
135.11679	44.3
137.13255	4.1
139.07623	1.9
145.10107	9.1
147.11693	32.9
149.13254	24.1
153.09070	9.7
157.10255	2.1
159.11693	10.2
161.13264	25.2
163.14827	38.9
165.09012	1.9
167.10695	5.2
173.13306	4.6
175.14810	22.3
176.26428	2.1
177.16393	16.5
187.14803	13.2
189.16380	100.0
191.17943	81.9
192.18282	2.6
193.12344	2.4
201.16380	14.4
203.17958	94.8
205.19519	14.1
207.17432	7.1
215.17955	9.2
217.19502	13.9
221.19023	6.5
229.19490	4.2
231.17560	3.1
231.21091	12.6
235.16919	16.0
245.22618	2.2
247.16933	6.3
249.18510	28.7
257.22586	3.3
261.18481	2.6
263.19913	2.1
271.24109	4.9
275.20160	3.6
277.21643	3.1
317.25055	2.4
393.35251	12.2
411.36194	52.4
421.34695	3.1
439.35669	43.0
440.35956	3.3
457.36804	86.1
458.37317	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	457.3675
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03960	2.3
55.05497	10.4
57.07069	15.0
67.05514	13.6
69.07066	17.9
70.06577	10.4
71.08625	5.4
79.05497	11.0
81.07060	32.3
82.90306	2.3
83.08616	6.4
85.06477	2.5
85.10179	3.0
88.07626	12.1
89.07932	2.4
90.53704	2.1
91.05462	13.5
93.07037	27.2
95.08611	41.1
97.06495	2.9
97.10149	7.6
99.08101	2.9
102.09161	6.6
103.09494	2.7
105.07015	26.5
107.07895	3.2
107.08595	41.2
109.06516	4.6
109.10151	31.0
111.08067	4.5
117.06983	4.3
119.08575	37.2
121.10129	26.0
121.58252	2.0
123.11683	12.3
129.06947	3.9
131.08563	13.3
133.10126	31.2
135.11708	29.4
137.13261	3.5
143.08556	6.1
145.10127	15.4
147.11691	22.4
149.13235	11.7
151.11102	4.2
157.10109	10.0
159.11658	13.7
161.13223	12.6
163.14799	17.1
171.11668	6.7
173.13289	15.2
175.14825	14.6
177.16354	8.8
185.13249	7.7
187.14799	12.8
189.16389	39.7
189.17976	4.7
191.17955	6.5
193.15813	2.8
199.14821	15.9
200.20071	25.6
201.16388	9.6
201.20441	16.6
203.14272	5.7
203.17975	22.0
205.15848	6.7
207.17467	31.0
213.16359	5.9
215.17929	6.8
217.15868	32.6
217.19420	5.5
218.21184	4.7
219.17485	4.5
225.16435	3.0
227.17958	4.5
229.19446	4.2
231.17459	14.7
233.19009	3.1
235.16953	5.6
241.19485	4.1
243.21045	4.9
245.19075	3.4
257.22726	7.7
259.20474	6.8
261.22070	3.3
269.22678	3.9
271.20706	5.1
271.24115	2.4
283.26465	14.9
284.26688	23.0
285.21899	4.8
331.26315	3.5
393.35336	6.0
403.33640	3.5
411.36252	5.6
421.34756	17.4
439.35855	29.7
457.36670	100.0
457.44357	85.1
458.37006	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	457.3676
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
50.89424	2.4
51.78284	2.4
53.03934	3.1
54.75788	2.2
55.05516	11.6
57.07074	6.6
59.31250	2.4
66.38223	2.3
67.05508	19.7
69.03416	3.3
69.07069	23.6
70.48543	2.1
79.05477	16.4
81.07052	49.1
83.08610	13.8
91.05002	2.6
91.05465	17.0
93.07045	37.1
95.04987	6.1
95.07984	4.8
95.08604	100.0
96.08917	5.3
97.06519	2.7
97.10159	4.6
99.08111	3.5
102.44481	2.5
105.07028	32.2
106.07347	3.8
107.07882	4.3
107.08588	59.4
108.08964	2.9
109.06523	3.9
109.10156	47.6
111.08083	4.9
117.07059	3.4
119.08576	53.3
120.08936	5.2
120.74505	2.3
121.09355	2.0
121.10143	50.4
122.10507	3.0
123.08046	4.6
123.11697	26.3
125.09575	3.1
131.08560	15.9
133.10127	41.4
134.10486	2.8
135.11694	45.0
136.11974	3.0
137.09569	2.8
137.13266	9.9
142.07755	2.7
143.08601	6.2
145.10123	20.5
147.11679	33.4
148.12062	4.4
149.13252	18.3
151.11182	3.0
153.09064	4.8
155.08498	3.0
157.10085	5.5
159.11703	17.8
161.13264	27.2
162.13608	2.9
163.11174	3.9
163.14828	21.0
165.12709	4.8
169.10135	4.9
171.11659	6.8
173.13295	13.1
175.11259	3.1
175.14867	20.6
177.12723	3.6
177.16391	14.3
178.16725	2.8
179.14319	2.4
185.13278	5.8
187.14809	18.4
189.16377	70.0
190.16716	9.2
191.17976	55.8
193.15923	3.5
199.14880	2.7
201.12840	3.4
201.16391	18.3
203.14371	4.2
203.17987	48.2
204.18312	6.1
205.15982	6.0
205.19518	4.5
207.17470	11.3
213.16373	7.3
215.17979	16.0
217.15929	5.5
217.19473	7.7
219.17390	4.4
221.18913	6.1
227.17934	3.0
229.19478	3.3
231.17429	3.8
231.21042	8.0
235.16980	10.5
241.19475	4.0
247.16910	5.6
249.18501	16.7
255.21053	3.0
257.22510	4.1
259.16998	3.2
393.35031	6.6
411.36108	35.0
421.34875	6.0
439.36212	40.8
457.37418	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	457.3675
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03936	2.6
55.05507	13.0
57.03446	1.8
57.07068	6.7
59.05001	1.8
67.05141	1.7
67.05504	28.9
69.03437	3.4
69.06731	2.3
69.07070	24.1
70.24825	5.6
71.04977	2.4
71.08642	1.5
73.06567	1.6
79.05489	14.9
81.07053	55.0
83.04967	2.2
83.08622	10.5
85.06535	7.9
91.05479	22.1
93.07043	44.2
95.04961	2.6
95.08605	100.0
96.76063	1.2
97.06544	3.8
97.10155	5.4
99.08067	2.9
100.80376	1.2
105.07028	43.4
107.08590	66.9
109.06496	3.5
109.10157	61.3
111.08072	6.7
111.11704	2.6
113.09621	3.2
117.07012	5.7
119.08580	68.7
121.06493	2.2
121.10145	59.4
123.08051	6.8
123.11710	27.5
125.09641	6.7
128.06056	1.3
129.06995	2.6
130.07791	2.0
131.08562	15.5
133.10126	50.2
135.08052	4.1
135.11690	40.7
137.09602	5.1
137.13237	13.6
139.11163	2.2
141.09091	1.7
143.08536	6.6
144.09349	1.6
145.09103	1.0
145.10112	29.4
147.11685	40.3
149.09578	2.0
149.13258	27.3
151.07542	1.5
151.11162	4.9
151.14841	2.2
153.09113	3.5
153.12756	1.2
157.10132	8.7
159.10464	2.6
159.11687	27.5
161.09717	2.3
161.13268	34.3
163.11137	4.3
163.14819	26.1
165.12717	2.9
167.10666	2.9
169.10101	3.1
171.11726	10.1
173.13255	21.1
175.11215	1.9
175.14827	31.4
177.12746	4.7
177.16374	22.9
179.14310	3.8
179.17935	4.0
183.11679	2.7
185.13251	7.0
187.14819	23.2
188.15324	1.4
189.16386	53.0
191.14304	7.3
191.17940	34.2
193.15900	9.5
197.13216	1.9
199.14839	8.6
201.16385	33.5
203.14201	2.4
203.17952	47.1
205.15886	9.7
205.19516	5.7
207.17419	13.6
211.14833	1.5
213.16385	9.8
215.14378	1.7
215.17953	26.9
217.12321	4.6
217.15866	3.2
217.19479	11.6
219.17407	17.0
221.15419	2.7
221.19000	2.9
223.16916	1.5
225.16376	3.1
227.17899	8.0
229.19525	9.1
231.17439	6.6
231.21051	8.4
233.19043	6.0
235.16879	5.6
239.17770	1.7
241.19551	5.3
243.21069	3.0
245.19028	4.3
245.22421	1.8
247.16930	2.8
249.18449	12.1
253.19615	1.8
255.21141	2.3
257.22592	2.7
259.17126	2.8
259.20505	2.5
261.18423	7.4
267.21051	2.4
269.22702	2.6
271.24176	1.7
273.22177	1.6
281.22620	1.3
283.24313	3.1
285.22287	1.3
287.23569	2.0
293.22543	1.6
295.24268	2.1
297.25772	1.7
299.23590	2.1
309.25839	1.8
313.25406	1.6
315.27036	1.3
317.24771	1.3
331.26331	1.3
351.26898	1.6
365.40958	1.3
381.31458	2.2
393.35056	10.3
403.33575	5.8
411.36191	22.0
413.34232	1.9
421.29498	3.1
421.34738	54.3
422.34702	2.5
427.35693	1.9
429.37366	1.9
439.35916	43.0
440.36285	2.3
457.37241	57.1
458.37186	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	457.3673
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03956	3.3
55.05511	13.6
57.03429	2.2
57.07066	6.4
59.05000	2.8
67.05498	27.2
69.07060	21.3
69.76444	1.5
70.33518	3.0
70.33918	4.5
71.08630	2.0
79.05486	19.9
81.07050	72.4
83.04951	2.7
83.08599	12.4
85.06540	7.9
91.05469	22.2
92.06242	1.7
93.07037	51.8
95.04965	3.3
95.08601	100.0
97.06522	5.3
97.10155	4.9
99.08107	3.1
105.07025	56.1
107.08586	89.3
109.06523	10.0
109.10153	46.4
111.08090	7.4
111.11707	2.3
113.09638	6.8
117.06985	9.1
119.08574	69.9
121.10132	55.8
123.08048	8.4
123.11686	23.4
125.09612	5.8
129.07033	2.9
131.08560	24.4
133.10121	47.5
135.07973	2.0
135.11684	59.1
137.09592	3.9
137.13255	7.2
139.07536	1.9
139.11189	1.9
142.07671	2.0
143.08560	11.3
144.09248	2.4
145.10114	38.6
147.11685	40.7
148.11996	2.7
149.09673	3.4
149.13243	34.3
151.11197	2.1
153.12726	3.4
156.09338	2.9
157.10110	21.0
159.11687	32.6
161.09639	2.7
161.13252	35.9
163.11200	5.0
163.14809	20.7
165.12744	4.5
169.10138	5.8
170.10829	2.2
171.11653	16.5
172.12581	1.8
173.13246	35.5
174.74895	1.7
175.11243	2.6
175.14807	42.0
177.12778	5.6
177.16373	29.5
179.14311	9.6
183.11687	5.8
185.13232	14.2
187.14806	36.0
189.12708	2.4
189.16389	23.9
191.14285	14.9
191.17929	32.6
193.15810	12.0
196.28813	1.9
197.13284	5.4
198.14047	2.1
199.14771	9.3
201.16403	26.6
203.14279	22.1
203.17924	32.6
205.15829	24.0
205.19585	1.8
207.17468	6.8
209.13229	2.5
211.14761	4.3
213.16374	18.2
215.17957	18.6
217.15849	5.4
217.19495	7.1
219.17435	13.2
221.15413	3.2
221.18935	5.1
225.16386	6.5
227.17941	8.0
229.19487	11.8
231.17439	24.8
233.18976	3.7
239.17857	2.8
241.19499	6.3
243.21062	3.5
245.18944	6.8
247.20654	2.6
249.18491	22.6
253.19411	4.6
255.21043	3.5
257.22668	2.3
265.19641	2.2
267.21091	3.1
269.22693	4.6
271.20590	2.2
271.24133	3.8
273.97342	1.9
281.22580	5.4
285.21994	3.1
287.23734	2.6
297.25827	2.5
299.23660	5.1
307.24237	2.3
309.25641	2.2
325.25049	2.2
327.26944	2.4
363.30768	2.3
393.35150	11.0
399.32654	4.1
403.33810	8.1
411.36157	7.2
421.29288	3.5
421.34644	56.2
427.35840	2.0
439.35907	37.3
457.32687	27.5
457.37076	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	457.3675
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03937	5.2
55.05513	18.1
57.03440	2.8
57.07064	5.6
59.04993	4.0
60.66236	2.0
62.78326	2.1
67.05505	27.3
69.07064	19.4
69.50311	5.0
69.50715	15.7
79.05489	22.5
81.06604	3.3
81.07055	55.0
83.08601	10.3
85.06552	12.0
91.05472	22.3
93.07039	52.2
95.04954	5.6
95.08603	100.0
97.06515	6.6
97.10153	7.1
98.21587	4.1
99.04466	3.6
99.08083	4.0
103.05511	3.0
105.07027	50.1
107.08590	88.8
109.06519	6.8
109.09409	2.8
109.10151	52.4
111.08068	8.7
113.09615	6.5
117.06998	9.3
119.08580	64.1
121.06477	4.8
121.10139	52.0
123.08064	6.6
123.11694	17.8
125.09605	5.6
127.11182	2.7
129.06979	7.2
131.08560	20.7
133.10143	41.3
135.07994	5.0
135.11691	86.9
137.09630	6.3
137.13240	15.6
141.06920	2.8
143.08551	12.0
145.09050	4.4
145.10109	40.6
147.11682	40.3
149.09613	5.3
149.13258	23.7
151.11154	5.4
151.14742	2.8
153.12703	4.1
155.08554	4.6
157.10150	20.3
159.11679	31.8
161.13260	25.0
163.11198	5.0
163.14821	20.5
165.09134	3.1
165.12686	3.0
169.10114	4.7
170.10913	2.3
171.11693	17.9
173.09660	2.2
173.13232	30.1
175.11285	3.3
175.14822	42.9
177.12843	3.2
177.16362	24.0
179.14330	6.4
181.12424	2.3
183.11703	6.2
185.13248	12.7
187.14821	42.4
189.16388	24.3
191.14284	8.8
191.17960	26.1
193.15814	7.2
195.11693	3.3
197.13271	3.8
199.14830	14.1
201.16385	27.5
203.14278	3.8
203.17975	23.9
205.15887	15.3
207.17397	4.8
211.14777	6.6
213.16353	20.9
215.17986	17.2
217.19525	7.8
219.17444	8.9
221.18965	4.9
225.16443	4.2
227.17908	9.7
229.19519	14.7
231.17459	23.8
231.21071	4.5
239.18015	3.6
241.15729	2.6
241.19548	4.0
243.21082	6.2
245.18921	6.5
249.18524	24.9
253.19568	4.0
255.21080	6.5
259.20493	4.1
269.22589	7.6
273.22122	5.5
279.21222	2.4
281.22507	3.8
283.20737	2.6
283.24228	2.5
285.22031	5.3
287.23532	4.2
309.25708	2.8
393.35257	9.3
399.32547	2.6
403.33502	9.8
409.34772	2.9
411.36319	5.3
421.34772	65.1
422.35211	4.6
427.35507	2.9
439.36179	43.5
457.32373	12.8
457.36871	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	457.331
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
51.02351	0.2
53.03930	0.6
55.01849	0.2
55.05506	2.6
57.03402	0.4
57.07072	1.1
59.04982	0.3
65.03918	0.5
67.05500	4.3
69.03399	0.8
69.07059	5.3
70.64992	0.5
71.04961	0.6
71.08617	0.3
77.03883	0.3
78.84837	0.2
79.05488	5.4
81.03404	0.2
81.07049	18.5
82.07372	0.2
83.04967	1.1
83.08617	2.2
85.06516	0.5
87.04436	0.3
87.94096	0.2
91.05470	6.0
93.07037	11.2
95.04961	1.5
95.08599	16.4
96.08955	0.2
97.06520	1.4
97.10149	1.3
99.04433	0.8
99.08021	0.3
103.05431	0.4
105.07021	12.9
106.07343	0.3
107.04943	1.1
107.08585	17.8
109.06506	10.2
109.07256	0.4
109.10148	6.3
111.08072	1.5
115.05427	0.5
117.07008	2.3
119.08570	24.3
120.08923	0.4
121.06515	1.7
121.10136	11.8
123.08066	3.6
123.11689	2.0
125.06013	0.3
125.09653	1.0
127.05431	0.2
127.07563	0.3
128.06200	0.6
129.06973	1.9
130.07788	0.4
131.08551	6.6
133.06511	1.7
133.10120	11.1
135.08044	4.5
135.11678	6.1
137.05922	0.3
137.09581	1.3
137.13206	1.0
139.07533	0.4
141.06969	0.8
142.07796	1.3
143.08553	5.5
144.09265	0.6
145.06456	0.3
145.10109	11.0
146.10684	0.2
147.08040	2.5
147.11681	7.0
149.09598	2.5
149.13249	8.2
150.13551	0.2
151.11151	0.6
151.14758	0.2
153.01776	0.2
153.09128	0.5
154.07776	0.4
155.08508	1.7
155.10577	0.3
156.09315	1.6
157.10118	7.2
158.10869	0.7
159.08005	0.9
159.11678	7.6
161.09593	3.7
161.13252	3.6
162.42076	0.2
163.11140	2.1
163.14809	10.9
165.06952	0.3
165.09047	0.3
165.12729	0.3
167.08507	0.6
168.09299	0.5
169.10117	2.7
170.10921	1.4
171.11678	5.4
172.12325	0.2
173.09641	1.5
173.13251	6.5
175.11211	2.0
175.14810	15.1
176.15138	0.3
177.09100	0.3
177.12721	0.8
177.16376	7.7
179.08640	0.3
179.14236	0.3
181.10095	1.2
181.12189	0.9
182.10941	0.6
183.11667	2.5
184.12381	0.3
185.09682	0.4
185.13229	7.3
186.13812	0.3
187.11198	1.4
187.14807	9.4
188.15175	0.3
189.09145	0.3
189.12737	1.7
189.16397	1.3
191.10631	0.2
191.14278	1.1
191.17955	0.6
193.10013	0.5
193.12059	0.2
193.14273	0.2
193.15848	1.4
194.10907	0.3
195.11697	1.4
196.12427	0.3
197.13232	2.7
199.11104	0.5
199.14790	3.2
201.12726	1.7
201.16360	4.2
203.14296	43.6
204.14592	1.3
205.15866	19.4
206.16232	0.4
207.11667	0.5
207.17526	0.3
209.13370	1.2
211.14816	1.9
213.12788	0.7
213.16353	2.2
215.14331	2.0
215.18007	1.3
217.15857	1.4
217.19524	0.3
219.11865	0.3
219.13815	1.2
219.17426	0.8
221.13269	0.6
221.15343	2.2
223.14824	0.9
225.12712	0.3
225.16327	1.4
227.14249	0.6
227.17908	1.1
229.15862	1.2
229.19460	0.6
231.13716	0.6
231.17406	2.0
233.13184	0.4
233.15370	0.7
235.14738	0.5
235.16908	0.5
237.16341	0.8
238.16978	0.3
239.14180	0.3
239.17867	0.8
241.15814	0.9
241.19498	0.9
243.17415	0.7
243.21133	0.3
245.15373	0.8
245.18987	0.4
247.16875	0.5
249.14578	1.6
251.18196	0.4
253.15897	0.4
253.19505	3.0
255.17581	0.5
255.20998	0.6
257.19070	0.3
259.16968	0.5
263.16196	0.5
265.19583	0.5
267.17401	0.7
267.20905	0.5
269.18863	0.3
269.22842	0.3
270.10599	0.2
271.20627	0.8
278.39990	0.3
279.17587	0.2
279.20972	0.4
289.17963	1.5
293.22598	0.6
295.20694	0.3
297.21802	0.2
305.22653	0.3
307.24130	0.7
311.23663	0.6
315.19547	1.2
315.23169	0.6
317.22394	0.3
319.24020	0.3
325.21478	0.5
325.25082	0.3
333.22031	0.2
333.25745	0.4
335.23648	0.3
335.27271	0.7
341.24539	0.3
343.22778	0.3
345.25806	0.5
351.23111	0.3
361.23727	0.8
361.28595	0.3
363.26782	1.1
373.29364	0.4
385.28763	0.6
387.25201	1.9
391.29916	1.4
393.31531	0.4
403.29849	2.3
409.30807	0.6
411.32593	3.3
415.14410	0.4
421.30942	4.9
421.36237	0.3
422.31165	0.3
439.31989	9.6
440.32574	0.4
457.33078	100.0
458.33405	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01878	3.1
55.05513	4.7
67.05483	9.2
69.03427	15.0
69.07091	4.8
71.04978	5.6
71.51830	3.1
79.05480	11.4
81.03411	10.8
81.07060	23.4
83.04951	5.9
85.02896	10.4
85.06511	4.4
91.05500	13.5
91.79281	3.0
93.07033	19.8
95.04977	6.1
95.08604	11.9
97.02871	7.5
97.06524	5.9
99.04425	3.5
102.58929	2.5
103.05466	5.2
105.07023	20.0
107.04978	6.8
107.08594	26.7
109.02857	6.6
109.06497	8.8
109.10132	13.2
111.08096	4.4
113.05952	2.8
115.05427	3.8
117.07010	5.4
119.08561	11.1
121.06528	6.0
121.10139	22.0
122.07278	5.9
123.04423	6.4
123.08051	9.5
123.11707	3.4
125.05954	3.4
125.09553	2.9
127.03914	20.7
128.04254	5.5
128.92735	2.9
129.07005	3.5
131.04944	15.7
131.08545	10.1
133.10129	100.0
135.08051	10.5
135.11690	5.7
137.06035	4.1
137.09618	54.5
139.03867	6.4
145.04977	3.3
145.10168	8.5
147.04390	9.4
147.08022	2.9
147.11708	4.0
149.05923	3.8
149.09615	13.2
149.13214	10.3
150.10022	3.8
151.03908	3.0
151.07448	3.1
153.01830	29.3
159.11665	4.3
160.40991	2.4
163.07527	2.7
165.09099	8.4
167.10713	2.9
173.09534	3.1
173.13263	8.8
175.07565	2.8
177.05479	4.9
177.09152	2.5
179.03375	3.3
181.10255	2.3
191.14297	43.7
195.35463	2.5
197.06105	2.7
209.15352	6.1
245.04546	3.1
267.47842	2.5
277.92816	2.5
284.89505	3.0
287.05487	5.8
295.05991	7.1
335.13309	2.4
434.66425	2.6
457.24680	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03935	1.1
55.01864	0.8
55.05507	4.5
57.03429	1.3
57.07075	1.6
59.04990	0.9
66.86505	0.7
67.05502	7.8
69.03426	1.3
69.07064	10.1
71.04970	0.9
71.24950	1.4
79.05490	9.1
81.07053	24.8
82.07367	0.6
83.04973	1.4
83.08611	4.6
86.32598	0.6
88.91018	0.6
91.05476	10.0
93.07040	20.1
95.04987	2.9
95.08602	23.3
96.08987	0.8
97.06525	1.8
97.10148	1.9
99.08099	1.5
105.07026	17.9
107.05000	0.8
107.08587	30.5
109.06508	4.3
109.10144	11.2
111.08070	3.3
115.05429	1.4
117.07016	3.6
119.08574	21.2
119.13242	0.6
120.08915	0.8
121.06502	2.4
121.10141	23.9
122.10477	0.7
123.08052	5.0
123.11723	4.1
125.09641	1.6
128.06248	1.1
129.06970	2.7
130.07767	0.9
131.08542	11.5
133.06502	1.0
133.10127	13.3
135.08067	4.2
135.11679	8.6
137.09624	2.9
137.13251	1.1
141.06952	1.7
142.07788	1.8
143.08560	8.8
144.09267	1.2
145.06487	0.9
145.10115	19.9
147.08012	1.2
147.11688	15.9
149.09593	1.8
149.13257	22.3
150.13596	0.7
151.07559	1.4
151.11153	1.3
151.14857	0.9
153.01840	1.3
153.09129	1.2
154.07755	0.9
155.08556	3.4
156.09373	2.9
157.08829	0.8
157.10114	13.8
158.10866	1.3
159.08012	2.1
159.11696	16.1
160.12120	0.6
161.09608	4.1
161.13258	6.3
163.11208	3.0
163.14825	26.7
164.15143	0.9
165.09065	3.7
165.12732	1.2
167.08621	0.8
168.09305	0.9
169.10138	5.3
170.10887	1.8
171.11678	11.1
173.09598	2.2
173.13243	11.9
175.11159	3.0
175.14825	8.3
177.09065	1.0
177.12793	1.5
177.16383	18.2
179.08604	1.1
179.10512	0.7
181.10121	2.0
181.12228	2.3
182.10881	2.2
183.11668	5.1
185.09727	0.7
185.13245	8.8
186.13727	0.8
187.11206	2.9
187.14816	21.1
188.15202	0.7
189.12791	3.0
189.16417	4.4
191.10651	1.2
191.14340	2.5
191.17899	1.3
193.10201	1.3
193.11987	0.9
193.15892	1.8
195.11671	2.7
195.13367	0.8
196.12502	1.2
197.13261	5.2
199.11198	0.9
199.14803	7.0
201.12735	2.7
201.16386	9.0
203.10675	2.2
203.14299	5.8
203.17963	1.9
205.12599	1.4
205.15863	50.0
206.16206	1.8
207.11728	1.1
209.13277	3.0
211.14784	3.6
213.12738	2.0
213.16403	3.6
215.14282	4.4
215.17982	2.5
217.12328	1.1
217.15855	3.2
217.19455	0.7
219.13806	2.4
219.17456	1.5
221.13234	1.1
223.14847	2.2
225.16365	2.5
227.14349	1.4
227.17921	1.5
229.15881	1.8
229.19386	1.0
231.13826	2.4
233.15303	1.8
235.14787	0.8
235.16911	1.4
237.16357	1.4
239.14273	0.6
239.17946	1.9
241.15919	1.6
241.19447	2.9
243.17401	1.3
245.15479	2.8
245.19016	0.9
247.16948	1.9
251.18028	1.2
253.15880	1.3
253.19542	8.4
255.21111	1.6
263.16382	1.2
271.16910	1.0
273.18741	0.8
279.21161	0.9
285.18610	0.9
289.18042	2.1
305.22614	1.3
307.18976	1.1
307.24182	1.8
315.19452	1.8
333.25903	0.8
335.27301	1.5
345.26028	1.1
353.28275	0.8
363.26660	2.6
367.17960	1.6
373.28769	1.0
379.26346	0.6
385.28751	1.3
391.29813	3.0
399.29022	0.6
403.29959	5.2
409.31137	1.9
421.30948	12.7
439.32034	23.0
440.32370	1.3
457.33078	100.0
458.33441	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01878	3.1
55.05513	4.7
67.05483	9.2
69.03427	15.0
69.07091	4.8
71.04978	5.6
71.51830	3.1
79.05480	11.4
81.03411	10.8
81.07060	23.4
83.04951	5.9
85.02896	10.4
85.06511	4.4
91.05500	13.5
91.79281	3.0
93.07033	19.8
95.04977	6.1
95.08604	11.9
97.02871	7.5
97.06524	5.9
99.04425	3.5
102.58929	2.5
103.05466	5.2
105.07023	20.0
107.04978	6.8
107.08594	26.7
109.02857	6.6
109.06497	8.8
109.10132	13.2
111.08096	4.4
113.05952	2.8
115.05427	3.8
117.07010	5.4
119.08561	11.1
121.06528	6.0
121.10139	22.0
122.07278	5.9
123.04423	6.4
123.08051	9.5
123.11707	3.4
125.05954	3.4
125.09553	2.9
127.03914	20.7
128.04254	5.5
128.92735	2.9
129.07005	3.5
131.04944	15.7
131.08545	10.1
133.10129	100.0
135.08051	10.5
135.11690	5.7
137.06035	4.1
137.09618	54.5
139.03867	6.4
145.04977	3.3
145.10168	8.5
147.04390	9.4
147.08022	2.9
147.11708	4.0
149.05923	3.8
149.09615	13.2
149.13214	10.3
150.10022	3.8
151.03908	3.0
151.07448	3.1
153.01830	29.3
159.11665	4.3
160.40991	2.4
163.07527	2.7
165.09099	8.4
167.10713	2.9
173.09534	3.1
173.13263	8.8
175.07565	2.8
177.05479	4.9
177.09152	2.5
179.03375	3.3
181.10255	2.3
191.14297	43.7
195.35463	2.5
197.06105	2.7
209.15352	6.1
245.04546	3.1
267.47842	2.5
277.92816	2.5
284.89505	3.0
287.05487	5.8
295.05991	7.1
335.13309	2.4
434.66425	2.6
457.24680	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01877	4.6
55.05500	5.8
59.04979	2.6
67.05499	10.4
69.03437	18.8
69.07070	7.0
69.33705	22.1
71.04993	5.5
74.28313	2.4
79.05490	15.5
81.03414	9.0
81.07055	24.6
83.04980	6.3
85.02912	13.0
85.06551	4.8
86.06063	2.7
88.37170	2.8
91.05472	14.3
93.07056	20.0
95.04990	7.1
95.08626	14.2
97.02859	8.0
97.06554	7.3
99.04439	4.6
101.06043	3.4
103.05474	6.0
105.07017	17.8
107.04942	5.1
107.08591	31.1
109.02876	7.5
109.06539	12.8
109.10139	12.9
111.04437	4.0
111.08102	4.3
115.05471	3.5
117.07019	6.2
119.04890	3.3
119.08585	17.1
121.06470	7.4
121.10133	24.3
122.07319	6.0
123.04451	9.4
123.08065	11.1
123.11737	4.8
125.09605	3.1
127.03922	28.7
129.05490	3.9
131.04921	19.3
131.08568	9.5
133.06528	3.0
133.10127	100.0
134.10419	3.3
135.08069	11.5
135.11687	5.9
137.05956	7.0
137.09616	58.2
139.03912	7.2
143.08560	3.9
145.04962	3.4
145.10159	8.2
147.04393	8.5
147.08040	4.0
147.11682	7.9
149.06026	2.8
149.09628	17.4
149.13260	8.3
150.09988	3.3
151.03798	3.0
151.07559	4.7
153.01825	35.7
153.05438	2.8
157.10155	5.8
159.11629	5.3
161.05945	3.3
165.09035	3.3
167.10716	3.9
171.11748	2.4
173.13307	7.2
177.05501	4.7
179.03415	5.6
182.49614	2.8
191.14287	45.0
205.17613	2.8
209.15387	4.7
217.05107	3.8
253.62114	2.6
277.17813	3.4
287.05505	11.1
295.05972	7.6
331.04724	4.7
344.00357	3.4
350.64835	3.2
457.24957	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28300	2.2
53.03920	4.1
55.05506	5.1
57.03413	2.7
57.85675	2.1
59.05003	20.9
67.05506	14.4
69.03433	12.9
69.07060	10.1
70.06590	5.7
70.85970	7.1
71.04996	3.7
73.02924	2.8
74.17452	2.1
79.05489	9.3
81.03397	7.8
81.07053	14.7
83.04975	10.7
85.02898	6.7
88.04060	2.7
91.05460	9.9
93.07046	9.4
95.04977	6.0
95.08611	24.2
97.02910	3.7
97.06528	10.0
98.97584	4.0
99.08092	3.1
103.05450	2.7
105.07040	12.4
107.04908	3.6
107.08587	6.9
109.02871	22.4
109.06547	2.7
109.10162	25.8
111.04424	4.3
111.08073	3.0
113.02356	17.9
115.05459	2.8
117.06977	3.0
118.01721	2.8
119.04943	3.9
119.08577	14.3
121.02881	3.1
121.06483	3.2
121.10143	20.2
123.04414	4.6
123.08068	39.0
124.03984	3.9
125.04199	2.7
125.05989	4.3
125.09608	4.1
127.03938	7.7
131.08591	3.6
133.10156	3.4
135.04420	2.5
135.08044	3.9
135.11679	4.2
137.02263	2.4
137.05984	5.4
137.09618	19.4
139.03915	7.4
139.11198	2.4
141.09103	10.8
145.04942	3.1
147.04414	5.0
147.08090	4.7
149.09630	14.1
151.03961	2.8
153.01854	19.0
153.05414	3.1
154.13176	3.2
155.03133	5.5
163.03983	5.0
165.09143	17.4
170.03561	2.6
175.03918	6.2
177.05580	2.8
179.03439	2.6
183.10141	27.3
199.03845	2.8
201.11227	3.3
203.03271	2.7
203.05383	3.0
207.06477	6.5
208.09810	3.7
212.16476	4.7
213.16849	5.2
271.17294	4.2
276.41385	2.8
277.17868	6.7
287.05548	4.7
295.06027	21.6
295.18890	3.4
309.13553	3.0
316.14203	5.7
324.02328	5.5
325.03220	38.7
326.06644	4.3
334.15155	5.6
348.93768	2.6
457.07407	100.0
457.24976	77.2
457.30106	7.2
458.07849	10.4
458.23022	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	457.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90803	0.8
53.03930	0.8
55.05505	2.8
57.89674	0.9
63.92154	0.7
65.03928	1.4
67.05495	5.2
69.07079	4.1
70.11663	3.3
70.17379	0.7
71.04994	3.1
79.05495	3.3
81.07056	7.8
83.04972	0.9
83.08614	2.3
85.02902	0.9
91.05482	4.3
93.07049	6.4
95.04990	0.9
95.08613	10.9
97.06529	1.3
97.10152	1.3
99.04510	0.8
99.08083	2.4
105.07032	7.9
107.08592	9.4
109.06532	1.3
109.10162	8.4
110.10490	1.3
111.08095	1.4
117.07016	1.3
119.08569	9.3
121.02867	3.6
121.10146	7.0
123.08073	1.5
123.11675	4.9
125.09665	1.4
131.08577	3.4
133.10120	7.8
134.10439	0.9
134.80806	0.8
135.08080	1.2
135.11687	6.0
136.12051	0.9
137.13269	1.2
143.08582	1.9
145.10101	5.3
147.04468	1.0
147.11684	5.7
149.02342	6.0
149.13260	3.0
151.07498	1.6
151.11153	1.5
153.01796	1.3
157.10175	1.9
159.11687	3.5
161.13260	3.3
163.14795	2.3
165.09169	3.0
168.66283	0.7
171.11665	2.3
173.13274	3.7
174.13734	1.0
175.11224	1.0
175.14854	4.8
177.16371	2.1
185.13322	1.6
187.14848	1.9
189.06902	1.2
189.16374	3.1
191.10699	0.8
191.14325	1.4
191.17931	1.5
193.15787	1.0
199.14789	1.5
201.12640	1.3
201.16415	2.2
203.17979	3.1
205.15926	1.2
207.17465	1.4
211.14882	1.0
213.05463	0.9
213.16362	1.0
215.17812	1.0
219.17502	1.0
221.05995	1.1
223.07657	1.1
223.16866	1.3
227.18013	1.1
237.18558	1.8
243.06537	0.8
243.21254	0.8
249.05254	1.2
250.06107	0.9
251.06976	7.7
252.07516	1.6
253.10066	1.7
255.07945	1.3
269.09647	2.6
271.20572	1.2
279.08307	2.0
280.08810	1.4
281.09698	2.3
282.06732	1.2
283.07596	1.9
292.08731	1.4
294.06635	1.2
295.07495	1.1
297.09088	5.6
298.06232	2.0
298.09528	1.0
299.06836	0.9
305.09668	1.9
307.07568	3.0
308.08368	4.2
309.09085	18.6
310.09497	1.2
311.06888	3.8
313.08569	1.0
315.06726	1.4
319.07520	1.9
320.08130	1.3
322.06354	1.1
323.06995	1.1
323.10590	1.5
324.07941	1.3
325.08618	11.9
326.05655	3.6
326.09232	1.5
327.10229	1.0
328.07159	0.9
329.08023	2.4
333.09076	1.7
335.06964	2.9
335.10696	1.0
336.07855	3.7
337.08572	19.6
339.06403	2.2
340.07001	1.2
350.09354	1.0
351.10278	3.0
352.07336	2.8
353.08099	25.2
354.08829	3.7
355.09622	3.3
356.06732	2.7
357.07590	4.0
361.08661	2.2
362.09238	1.3
363.06464	2.7
364.07211	4.9
365.07898	5.2
366.08856	2.3
369.07516	1.7
371.05228	2.9
371.09192	7.7
379.09720	7.7
380.06277	1.4
380.10425	2.9
381.07568	77.4
382.08014	7.5
384.06250	1.7
385.06799	1.5
389.08179	1.1
392.06775	1.5
396.06241	3.3
397.10944	5.3
399.08630	100.0
400.08926	3.6
407.09171	13.6
408.09970	1.1
410.35101	1.0
421.35104	1.2
425.10165	9.5
438.34058	1.1
439.11868	10.4
439.35992	2.2
457.12839	16.0
457.26181	1.3
457.36575	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	457.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90803	0.8
53.03930	0.8
55.05505	2.8
57.89674	0.9
63.92154	0.7
65.03928	1.4
67.05495	5.2
69.07079	4.1
70.11663	3.3
70.17379	0.7
71.04994	3.1
79.05495	3.3
81.07056	7.8
83.04972	0.9
83.08614	2.3
85.02902	0.9
91.05482	4.3
93.07049	6.4
95.04990	0.9
95.08613	10.9
97.06529	1.3
97.10152	1.3
99.04510	0.8
99.08083	2.4
105.07032	7.9
107.08592	9.4
109.06532	1.3
109.10162	8.4
110.10490	1.3
111.08095	1.4
117.07016	1.3
119.08569	9.3
121.02867	3.6
121.10146	7.0
123.08073	1.5
123.11675	4.9
125.09665	1.4
131.08577	3.4
133.10120	7.8
134.10439	0.9
134.80806	0.8
135.08080	1.2
135.11687	6.0
136.12051	0.9
137.13269	1.2
143.08582	1.9
145.10101	5.3
147.04468	1.0
147.11684	5.7
149.02342	6.0
149.13260	3.0
151.07498	1.6
151.11153	1.5
153.01796	1.3
157.10175	1.9
159.11687	3.5
161.13260	3.3
163.14795	2.3
165.09169	3.0
168.66283	0.7
171.11665	2.3
173.13274	3.7
174.13734	1.0
175.11224	1.0
175.14854	4.8
177.16371	2.1
185.13322	1.6
187.14848	1.9
189.06902	1.2
189.16374	3.1
191.10699	0.8
191.14325	1.4
191.17931	1.5
193.15787	1.0
199.14789	1.5
201.12640	1.3
201.16415	2.2
203.17979	3.1
205.15926	1.2
207.17465	1.4
211.14882	1.0
213.05463	0.9
213.16362	1.0
215.17812	1.0
219.17502	1.0
221.05995	1.1
223.07657	1.1
223.16866	1.3
227.18013	1.1
237.18558	1.8
243.06537	0.8
243.21254	0.8
249.05254	1.2
250.06107	0.9
251.06976	7.7
252.07516	1.6
253.10066	1.7
255.07945	1.3
269.09647	2.6
271.20572	1.2
279.08307	2.0
280.08810	1.4
281.09698	2.3
282.06732	1.2
283.07596	1.9
292.08731	1.4
294.06635	1.2
295.07495	1.1
297.09088	5.6
298.06232	2.0
298.09528	1.0
299.06836	0.9
305.09668	1.9
307.07568	3.0
308.08368	4.2
309.09085	18.6
310.09497	1.2
311.06888	3.8
313.08569	1.0
315.06726	1.4
319.07520	1.9
320.08130	1.3
322.06354	1.1
323.06995	1.1
323.10590	1.5
324.07941	1.3
325.08618	11.9
326.05655	3.6
326.09232	1.5
327.10229	1.0
328.07159	0.9
329.08023	2.4
333.09076	1.7
335.06964	2.9
335.10696	1.0
336.07855	3.7
337.08572	19.6
339.06403	2.2
340.07001	1.2
350.09354	1.0
351.10278	3.0
352.07336	2.8
353.08099	25.2
354.08829	3.7
355.09622	3.3
356.06732	2.7
357.07590	4.0
361.08661	2.2
362.09238	1.3
363.06464	2.7
364.07211	4.9
365.07898	5.2
366.08856	2.3
369.07516	1.7
371.05228	2.9
371.09192	7.7
379.09720	7.7
380.06277	1.4
380.10425	2.9
381.07568	77.4
382.08014	7.5
384.06250	1.7
385.06799	1.5
389.08179	1.1
392.06775	1.5
396.06241	3.3
397.10944	5.3
399.08630	100.0
400.08926	3.6
407.09171	13.6
408.09970	1.1
410.35101	1.0
421.35104	1.2
425.10165	9.5
438.34058	1.1
439.11868	10.4
439.35992	2.2
457.12839	16.0
457.26181	1.3
457.36575	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	456.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87159	0.4
55.05505	2.1
55.29644	0.4
57.07072	15.9
58.06583	0.8
60.86502	0.4
67.05513	3.1
67.05824	0.7
69.07056	3.3
69.95464	2.0
70.06592	13.8
71.08630	9.5
72.08152	0.4
73.02893	1.5
79.05475	0.9
81.07063	5.1
83.08612	2.4
85.10189	2.8
88.07626	22.0
88.08170	1.1
88.16092	0.4
89.21059	0.4
91.05467	0.6
93.07060	2.2
95.04892	0.5
95.08600	6.4
95.39196	0.5
97.06592	0.5
97.10159	1.6
99.39251	0.4
101.27499	0.5
102.08498	0.8
102.09178	14.9
103.51238	0.5
105.07016	2.1
107.08585	2.7
109.10139	2.7
110.10423	0.5
111.08068	0.5
115.03076	0.5
119.08585	1.7
121.10162	2.1
123.11681	1.3
125.09619	0.6
131.08644	0.5
133.10129	1.6
135.11679	1.4
145.10124	1.4
147.11670	1.4
149.13234	1.0
156.17509	0.7
159.11690	0.9
161.13184	1.0
162.99156	0.4
163.14812	0.5
171.11739	0.7
173.13263	1.1
175.14845	0.5
177.16396	0.9
187.14813	1.0
189.16502	0.4
191.17889	0.7
200.20082	56.2
201.16405	1.4
201.20428	1.2
203.17880	0.9
204.18240	0.4
205.15779	0.8
218.21123	5.5
256.26312	0.8
283.26303	59.2
284.26697	1.1
318.73209	0.5
421.34821	0.6
424.57974	0.5
439.35812	0.9
456.44083	100.0
457.36945	1.1
457.44421	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	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.9
55.05511	2.1
57.03431	21.2
57.07076	4.8
58.66180	1.8
59.04985	3.1
60.04509	2.6
61.02915	2.0
67.05499	3.5
69.03426	73.3
69.50189	12.4
73.02914	5.1
75.04457	2.6
79.05456	2.3
81.03416	6.2
81.07004	2.2
84.04475	3.0
85.02901	64.6
85.52374	1.9
87.04462	48.5
88.97107	2.0
91.03940	2.5
91.05437	3.5
93.07018	4.3
95.08581	3.3
97.02891	66.0
99.04452	4.9
105.07025	3.4
107.04904	2.6
107.08601	2.5
109.02818	2.6
109.10149	8.7
111.04470	2.2
115.03925	89.3
119.04947	3.2
121.10124	3.2
127.03932	11.1
127.11227	4.2
133.04956	100.0
137.05829	2.2
144.06543	2.4
145.04977	19.4
147.04405	2.2
147.11665	1.9
150.07602	7.9
153.01855	4.5
162.07581	1.9
163.06027	2.9
175.03914	3.1
180.08699	2.6
191.07018	3.2
207.06532	6.5
208.09671	5.8
241.07141	2.3
259.08041	5.1
277.09216	2.1
289.16287	3.3
292.90649	2.3
293.17126	2.6
294.17358	2.6
351.85608	2.1
394.05136	2.3
456.20901	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	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01871	19.0
55.05494	2.2
57.03434	26.9
57.07073	10.0
59.05000	3.5
60.04513	2.2
61.02931	12.4
67.05488	4.0
69.03429	36.4
69.07045	1.5
71.01381	6.0
71.04988	2.4
71.07643	2.8
72.04505	2.2
73.02521	1.8
73.02917	34.2
76.01997	1.4
79.05490	1.4
81.03423	6.0
81.07051	2.7
83.08616	2.1
84.04481	1.5
85.02903	100.0
87.04445	5.4
89.14420	1.2
91.03936	4.1
93.07036	2.5
97.02893	52.8
99.04453	4.1
100.11282	1.4
103.03938	4.5
109.02861	5.5
109.10153	17.5
110.22506	1.3
115.03920	26.3
116.10709	2.0
118.62234	1.2
119.08534	1.5
121.10102	1.7
126.05562	1.4
127.03913	29.4
127.11195	15.0
132.06596	2.9
133.04964	42.8
144.06554	3.8
145.04964	43.9
145.10143	2.1
145.12196	8.2
147.08060	1.3
150.07591	4.2
153.01817	2.4
162.07655	3.5
163.05992	13.8
165.36339	1.2
180.08684	4.0
186.85446	1.2
199.05960	1.7
208.09706	2.8
212.16399	2.0
217.07054	1.3
219.49358	1.2
223.06044	2.8
241.07054	3.5
259.08044	2.6
259.15341	1.8
271.15179	1.5
289.16470	11.3
289.45914	1.4
342.22595	2.0
364.45590	1.4
390.58191	1.4
438.19986	2.1
456.22513	3.6
456.31772	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	456.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01863	1.7
55.05510	2.3
57.03445	4.9
59.04994	1.0
61.02918	3.3
65.84464	0.9
69.03432	6.4
69.07067	1.3
70.06583	1.5
71.01362	1.1
71.04976	1.7
71.08624	2.7
71.50555	0.8
73.02907	2.9
79.05481	2.4
81.03408	2.6
81.07050	15.8
83.05026	1.1
85.02905	18.8
85.03403	0.7
85.06526	2.3
86.09733	1.4
97.02891	5.9
97.06516	1.9
99.08092	8.9
109.02849	1.8
109.06512	23.6
115.03915	1.0
115.07510	1.5
123.04427	1.8
127.03900	7.0
127.07547	29.4
137.06094	1.1
144.08061	5.4
145.04964	6.9
145.08586	100.0
146.08897	1.1
153.01845	3.7
163.03902	1.5
163.06070	3.4
211.77417	1.0
269.12857	1.1
287.40442	0.9
307.13803	3.6
330.21765	1.1
457.13107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	0.8
61.02888	1.0
67.05458	1.4
69.03371	2.3
69.07010	0.8
71.51054	0.8
73.02852	1.0
77.29636	0.6
79.05457	1.0
81.03349	2.6
81.07006	1.7
84.04469	1.0
85.02893	5.7
85.06470	0.7
86.05995	0.7
91.05418	1.5
93.06988	1.5
95.08557	1.4
97.02835	1.8
99.04409	1.0
105.06954	1.4
107.08526	1.2
109.10081	0.9
112.01997	0.6
119.08539	1.0
121.10123	1.1
123.04442	0.6
127.03894	1.2
131.08501	0.9
133.10088	1.4
145.04878	0.8
147.04375	0.7
155.07274	1.0
165.06989	1.1
165.09009	0.7
179.07227	2.5
182.06023	1.0
183.06686	2.2
191.07213	1.8
192.08043	2.3
194.09605	0.9
204.08066	2.7
207.06764	11.5
208.07388	1.0
211.06226	1.1
219.06589	1.4
220.07552	26.3
221.08118	0.9
222.09137	2.2
232.07567	35.1
233.08064	2.1
234.05424	1.3
248.07053	52.4
249.07568	3.4
250.08621	2.8
276.06537	89.9
277.06927	3.0
294.07587	100.0
295.07990	3.6
427.50824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05493	14.9
57.07064	6.8
67.05494	24.3
69.07056	29.3
70.71949	8.4
70.72290	4.8
79.05508	19.8
81.06663	4.6
81.07048	52.5
83.08598	11.1
83.97773	3.5
84.74303	4.0
91.05462	22.2
93.07040	57.1
95.04952	5.3
95.08597	90.1
97.06507	5.4
97.10146	5.9
105.07032	52.7
107.08578	98.2
109.10155	56.6
111.08072	5.2
117.06985	8.3
119.08571	100.0
121.10138	56.2
123.11683	25.3
131.08546	22.5
133.10133	63.5
135.11661	47.0
137.13213	12.8
143.08534	5.6
145.10118	38.5
147.11705	49.3
149.13260	26.0
153.09084	6.4
157.10094	8.2
159.11673	37.2
161.13219	35.0
163.14830	29.9
171.11661	16.0
173.13239	34.4
175.14830	36.1
177.09142	5.5
177.16341	18.4
179.14284	16.5
183.11555	5.5
185.13229	10.8
187.14813	31.3
189.16371	84.7
191.17928	17.7
197.13274	5.3
199.14845	5.3
201.16350	54.4
203.17944	68.2
207.17476	7.5
213.16377	6.7
215.17943	34.5
215.19780	5.8
217.19440	10.3
219.17467	5.2
221.19020	12.9
227.17862	10.1
229.19461	30.9
231.17601	4.5
231.21013	4.0
233.19040	4.4
235.16960	14.1
241.19508	7.7
243.21080	21.5
245.36696	3.8
247.16896	25.5
255.21053	11.9
261.18600	8.3
269.22678	5.4
275.19894	10.6
287.19946	8.2
289.21448	11.4
301.21671	11.2
315.23257	4.9
391.33725	22.2
395.29309	5.0
409.34622	50.6
410.34628	5.1
423.08853	6.4
437.34189	65.1
455.11081	8.2
455.35245	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Krukovine A
Peak:m/z	Relative Intensity
54.38755	1.4
54.40968	1.5
55.05508	16.4
57.07071	7.9
63.39193	1.5
65.03915	1.6
65.72885	1.4
67.05498	17.4
69.03434	2.6
69.07061	14.1
69.32343	10.9
69.32751	3.4
71.08638	5.2
78.98975	1.7
79.05489	14.4
81.03392	1.5
81.07050	31.2
83.04966	3.7
83.08616	10.3
85.06541	2.4
85.10158	1.8
91.05470	10.3
93.07035	25.2
95.04942	3.3
95.08601	43.3
97.06535	3.2
97.10136	7.3
98.21553	3.2
99.08059	2.4
101.06003	2.5
105.06396	2.8
105.07021	24.9
107.08581	39.5
109.06512	6.0
109.10148	29.9
111.08082	3.5
111.11729	2.3
113.06056	1.7
117.07015	4.1
118.33265	1.5
119.08567	36.6
121.06498	2.7
121.10140	29.2
123.08047	3.8
123.11685	14.2
125.05984	7.9
125.09627	6.3
129.06960	3.0
131.08533	12.3
131.10872	1.5
133.10121	35.6
135.08057	5.8
135.11670	32.4
137.09581	4.6
137.13252	7.9
139.07526	4.7
143.08609	6.9
144.09323	1.6
145.10114	21.5
147.08061	2.4
147.11673	21.5
149.09634	2.0
149.13234	12.6
151.11156	4.4
155.08583	2.7
157.10149	9.2
159.08052	3.1
159.11650	15.5
161.09622	3.8
161.13254	9.1
163.11140	3.9
163.14806	9.4
169.10152	5.2
171.11700	5.2
172.12531	2.0
173.09558	7.2
173.11844	3.0
173.13261	7.2
175.11192	7.3
175.14830	7.6
177.09125	3.8
177.12743	1.5
177.16391	5.9
179.14320	1.6
183.11646	2.4
185.13280	5.0
187.11221	10.3
187.14810	12.3
189.12720	2.5
189.16365	48.0
191.10706	5.6
191.17940	7.0
193.15909	2.2
197.13257	5.5
199.14825	4.4
201.16370	7.4
203.17975	9.1
205.15826	12.7
205.19435	2.2
207.17429	86.7
208.17740	2.6
211.14812	3.8
213.16394	3.3
215.14319	14.4
215.17871	4.1
217.15984	2.8
217.19484	2.7
219.17480	4.4
229.15862	78.4
230.16231	3.7
231.17400	9.3
233.15327	31.6
235.16988	2.2
239.23753	2.1
243.17448	5.3
247.16919	25.7
249.18538	2.5
257.19107	3.3
283.20670	3.3
359.94040	1.7
383.29443	3.3
409.34744	8.9
419.32986	6.1
437.34225	47.8
438.34442	3.8
455.35236	100.0
456.35458	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73004	1.4
52.66613	1.6
55.05500	7.1
57.07051	1.9
67.05500	10.0
69.07052	9.5
69.50629	12.2
78.05711	1.5
79.05469	6.4
81.07057	15.6
83.08591	4.9
91.05483	8.2
92.96998	1.6
93.07029	15.7
95.04952	1.8
95.07994	2.3
95.08602	41.8
97.10134	2.6
98.21478	2.4
104.29116	1.4
105.00838	1.7
105.01575	1.5
105.07023	18.3
107.07883	2.9
107.08585	44.0
109.06538	1.4
109.10155	21.7
109.61285	1.4
111.08099	2.6
117.07037	2.7
119.08578	43.7
121.02802	1.7
121.09249	1.7
121.10132	33.6
123.11689	6.2
131.08580	4.9
133.10120	41.1
135.11679	14.4
143.08571	2.2
145.10120	21.6
147.11659	22.8
149.09630	3.1
149.13239	10.6
153.09036	4.1
157.10109	2.0
159.11702	18.8
161.13239	19.2
163.11188	14.4
163.14821	12.8
167.10643	2.7
171.11620	3.2
173.13217	7.1
175.14818	13.0
177.16365	24.1
187.14792	29.7
189.16370	52.1
191.17958	8.0
199.14691	2.2
201.16298	8.0
203.17947	60.1
205.15871	100.0
205.19495	10.9
207.17426	13.4
213.16388	4.0
215.17941	5.7
217.15910	1.6
217.19432	2.5
219.17564	2.3
221.18938	3.0
229.19348	1.8
231.17447	3.3
235.16750	4.0
247.16896	2.4
249.18492	13.8
295.24106	2.4
313.25143	4.8
379.09521	1.9
391.33704	3.7
395.08984	4.3
398.79535	2.2
409.34659	29.9
423.08646	18.5
424.08789	3.0
437.34097	30.9
455.11221	13.5
455.35675	9.8
456.11472	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	455.3516
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
55.05495	11.5
57.07059	6.6
62.37727	2.4
67.05493	13.2
69.07067	16.5
69.25451	9.5
69.25875	14.0
79.05492	11.1
80.82184	2.4
81.07040	34.9
83.08594	7.4
86.01644	2.6
91.05451	11.7
93.07030	25.0
95.05009	3.0
95.08603	53.0
97.06539	5.2
97.10143	5.3
98.21504	6.2
105.07019	34.4
107.08585	44.1
108.70369	2.6
109.06533	5.0
109.10149	27.4
117.06992	4.3
119.08570	57.8
121.10141	32.9
123.08026	9.7
123.11696	11.0
131.08569	11.8
133.10120	43.4
135.11688	19.7
137.09601	4.6
139.11189	2.9
143.08551	4.4
145.10104	28.1
147.11670	34.4
149.13264	18.8
151.11174	4.0
153.09085	6.2
157.10159	4.1
159.11674	34.6
161.13246	24.9
163.11121	3.6
163.14812	14.2
165.12743	45.8
171.11629	4.1
173.13261	17.1
175.14806	21.9
177.16371	20.0
179.14171	4.3
187.14806	17.7
188.10335	2.3
189.16367	100.0
191.17921	8.9
193.15836	6.3
199.14754	6.4
201.16357	46.3
203.17938	40.4
205.15822	4.6
207.17416	7.5
213.16325	6.0
215.17891	23.7
217.15918	3.7
217.19461	8.5
219.17403	7.4
220.40239	2.4
221.18881	5.9
227.18007	4.2
229.19560	3.3
231.17474	3.0
233.19003	6.7
235.16920	12.5
241.19469	3.0
243.20988	3.7
247.16975	2.7
247.20613	3.0
249.18425	4.4
250.80138	3.0
257.22644	4.9
391.33493	8.7
391.83624	2.7
409.34616	79.3
410.34875	2.8
437.34183	45.4
455.35406	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05515	17.5
55.60141	2.5
55.66834	2.9
57.03416	5.8
57.07070	5.1
59.04986	3.6
65.03937	3.4
67.05492	33.7
69.07052	22.6
71.04942	3.1
79.05478	16.7
81.07051	53.4
83.04972	5.7
83.08622	11.4
85.06535	20.8
85.18087	3.1
91.05466	26.0
93.07043	49.1
95.04946	4.6
95.07984	4.7
95.08598	84.8
97.06516	5.5
97.10144	7.2
98.21532	7.7
105.07028	70.4
107.08586	80.6
109.06516	5.4
109.10144	56.0
110.14692	2.7
111.08069	12.8
113.09665	3.5
117.07024	10.4
119.07702	5.0
119.08574	100.0
121.10128	68.1
123.08092	17.2
123.11716	17.6
125.09625	5.9
128.06187	5.8
129.07004	5.3
130.07840	3.6
131.08551	33.6
133.10117	74.4
135.11671	27.4
137.09587	7.1
137.13261	7.7
141.06966	4.0
142.07750	5.3
143.08565	18.9
144.09346	3.7
145.10124	66.6
146.10472	4.3
147.11679	50.2
149.09599	7.5
149.13254	23.7
151.11168	4.0
155.08540	4.3
156.09323	6.8
157.10130	33.9
159.11690	59.7
161.09613	6.9
161.13246	35.9
163.11189	7.1
163.14792	19.6
165.12706	7.2
169.10152	9.6
170.10902	4.5
171.11674	23.3
172.12425	5.1
173.13232	40.0
175.11259	3.0
175.14836	39.7
176.15280	3.0
177.12788	14.2
177.16406	26.6
179.14307	6.2
181.10126	5.1
183.11696	11.7
185.13255	27.3
187.14793	37.1
189.16347	28.0
191.14243	9.0
191.17934	7.1
193.15825	17.1
195.11656	4.8
197.13280	15.4
198.14029	4.7
199.14774	24.2
201.16350	32.2
203.14330	3.8
203.17993	15.0
205.15887	20.0
207.17575	6.2
209.13237	3.4
211.14803	7.6
213.16371	26.8
215.17926	16.8
217.15866	22.0
217.19334	4.4
219.17455	15.6
223.14746	5.6
225.16318	10.7
227.17863	15.6
229.15999	4.0
229.19629	3.5
229.67235	4.0
231.17444	16.7
231.21005	3.9
233.18880	5.3
235.16891	33.2
239.17902	6.5
241.19450	12.7
243.17409	14.0
245.18987	13.2
253.19379	4.3
257.18991	4.3
259.20633	10.2
261.18497	5.4
267.21005	6.7
271.20514	5.4
277.21747	3.5
281.22644	3.7
283.20493	7.4
285.22122	8.8
297.22360	4.1
303.23294	3.8
307.24112	4.7
311.23523	3.9
325.25320	7.2
349.25241	3.4
391.33652	6.4
401.31967	5.3
409.34470	9.2
419.33087	74.3
420.33429	4.9
437.34097	79.1
438.34186	4.5
455.35455	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	455.3518
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03944	2.8
53.87463	1.7
55.05309	1.8
55.05514	18.1
57.07064	8.2
62.99508	2.1
63.13076	1.9
67.05510	28.7
69.07071	22.1
69.17962	6.3
69.18382	16.2
71.04973	3.0
71.08622	2.5
75.49250	1.8
75.61388	1.7
77.55905	1.9
79.05505	17.0
81.06595	3.7
81.07057	55.6
81.07534	3.4
83.04975	2.0
83.08620	13.0
84.46445	1.9
85.06547	5.1
90.68794	2.4
91.05476	22.1
93.07045	47.6
93.98502	2.1
95.04972	4.8
95.08610	100.0
97.06516	3.0
97.10172	8.0
99.08091	2.9
105.07033	44.5
107.07883	4.0
107.08594	68.2
109.06516	5.8
109.10162	63.6
111.08073	7.5
111.11730	2.3
113.09625	3.4
117.07011	8.4
119.08585	66.5
121.10143	59.8
123.08069	6.4
123.11695	24.5
125.09605	6.8
127.11203	3.5
129.07054	2.4
131.08559	24.1
133.10129	60.8
135.08055	4.0
135.11681	32.3
135.87773	2.4
137.09604	5.3
137.13222	12.8
139.11200	2.2
142.07729	2.2
143.08556	9.2
145.10114	37.3
145.11180	3.4
147.11691	40.9
149.09645	2.2
149.13255	23.4
151.11125	3.0
157.10118	13.4
158.10875	3.2
159.11691	30.4
161.09656	3.2
161.13269	27.4
163.11171	6.3
163.14793	19.6
165.12767	4.0
169.10144	2.6
171.11705	9.5
172.12329	2.0
173.13254	26.7
175.11067	2.7
175.14824	33.7
177.12802	4.1
177.16385	29.8
183.11690	2.6
185.13290	9.3
187.14850	23.4
189.16370	36.0
191.14265	5.4
191.17923	12.7
193.15862	5.8
197.13342	2.8
199.14832	8.8
201.16376	45.4
203.14352	3.6
203.17964	32.9
204.68051	2.3
205.15891	15.8
207.17473	11.0
211.14775	2.2
213.16396	17.7
215.14415	3.5
215.17986	13.8
217.15910	6.1
217.19524	4.4
219.17390	15.5
221.15523	2.9
221.19038	3.8
225.16327	3.2
227.17982	6.9
229.15942	3.1
229.19589	3.5
231.17487	18.4
233.15262	2.2
233.19012	4.1
235.17018	7.2
241.19553	5.7
243.17368	1.9
243.20952	2.7
245.19032	4.4
247.16930	2.6
249.18526	17.9
253.19569	3.0
255.21138	2.4
267.21039	3.7
273.18726	3.5
281.22556	5.3
283.24225	5.0
285.22177	3.2
295.24030	2.2
297.25812	3.2
299.23798	2.4
311.23575	2.6
325.25363	3.3
327.23267	2.8
343.26334	4.9
357.27753	2.7
379.29660	3.0
391.33527	11.8
397.31064	3.8
407.32913	2.5
409.34750	33.7
419.33041	16.6
427.36008	3.6
437.34158	85.1
438.34543	4.5
455.29044	4.3
455.35220	87.5
456.35367	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
53.03933	3.3
55.05506	18.3
57.07067	7.0
67.05482	28.5
68.90714	3.8
69.07068	29.4
70.72002	12.4
79.05480	20.0
81.07050	56.4
82.89275	4.3
83.08606	20.6
91.05451	20.7
93.07037	64.4
95.04972	4.8
95.08603	100.0
97.06541	3.5
97.10165	6.0
105.07019	58.9
107.08590	78.7
109.06516	5.6
109.10146	53.5
111.08076	60.9
119.08570	98.7
121.10133	72.1
123.11711	23.5
131.08562	16.5
133.10123	59.8
135.11682	41.7
139.11200	8.2
143.08586	10.8
145.10110	39.5
147.11674	62.8
149.13252	42.7
153.09113	8.6
157.10109	7.6
159.11734	28.5
161.13208	41.8
161.87506	3.9
163.14798	36.3
165.12724	10.1
171.11673	4.1
173.13278	17.0
175.14810	56.3
177.16353	39.6
179.14322	5.7
185.13281	10.9
187.14790	26.8
189.16359	89.0
191.17888	24.8
199.14856	6.9
201.16382	45.6
203.14421	6.3
203.17940	85.1
205.15909	20.2
205.19504	5.9
207.17419	18.8
213.16425	9.6
215.17924	30.1
217.19493	8.0
219.17493	14.4
221.15392	9.5
221.19052	9.9
229.19588	5.8
231.17426	5.4
233.19020	3.7
235.16963	10.4
237.11993	4.4
241.19453	5.5
243.21123	9.3
247.16954	6.6
249.14915	4.9
249.18472	11.0
255.21080	13.7
257.22629	5.1
261.18536	5.5
267.21179	3.6
269.22583	10.7
287.20276	5.8
301.21646	10.4
303.23221	7.2
315.23108	5.7
329.24744	4.7
391.33582	14.8
397.31406	4.6
409.34644	67.6
419.32776	5.3
425.34250	7.4
437.34064	47.0
455.35199	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05512	8.9
56.89504	3.0
67.05497	17.4
69.07076	15.2
69.50486	24.5
69.50871	7.2
74.48692	3.0
79.05507	11.8
81.07053	28.3
81.07396	2.6
83.04970	3.9
83.08630	8.5
84.59407	3.1
91.05467	15.7
93.07037	29.2
95.08606	69.1
105.07024	30.1
107.08600	50.6
109.10160	33.8
117.07024	4.2
119.08568	49.1
121.10148	45.1
121.10970	5.2
123.11729	11.7
131.08607	10.7
133.10133	37.2
135.11703	20.2
145.10115	22.8
147.11688	26.4
149.13252	21.0
153.09009	4.1
159.11746	13.9
161.13284	16.9
163.11102	5.5
163.14801	24.0
171.11731	5.1
173.13316	7.8
175.14803	29.7
177.16370	39.7
179.03430	4.1
187.14771	21.8
189.16394	40.4
191.17999	11.8
201.16449	13.0
203.17949	100.0
203.19766	6.4
205.15866	74.6
205.17609	5.2
205.19656	3.2
207.17419	4.1
213.16341	5.0
215.17943	8.4
219.93472	3.8
235.16925	4.7
237.28995	4.0
249.18588	11.8
278.08649	3.8
289.18811	3.5
383.84885	3.4
391.33536	8.1
409.34604	95.2
410.52072	3.4
437.34332	17.6
455.35803	20.3
478.64813	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05497	10.7
57.07061	3.1
67.05495	17.4
69.07059	17.0
77.00387	2.5
79.05472	13.4
81.07053	36.9
83.08610	9.9
88.29485	2.4
91.05476	15.7
93.07042	37.7
95.04974	3.8
95.08604	68.6
97.10125	3.8
98.20728	5.3
105.07032	43.2
107.08588	49.7
109.06509	6.1
109.10142	34.9
111.08082	60.3
117.07021	4.1
119.08578	49.2
119.09381	4.0
120.97427	2.7
121.02846	16.8
121.09328	3.9
121.10142	39.6
123.11716	12.4
125.09665	4.5
127.88400	2.5
129.06990	2.2
131.08549	13.6
133.10138	36.3
135.11670	22.3
137.09708	2.9
137.13272	3.6
139.11151	8.0
145.10107	26.7
147.11684	43.7
149.02365	3.2
149.13268	39.4
153.09103	4.3
157.10091	4.8
159.11694	22.8
161.09691	3.2
161.13257	34.3
163.14836	25.8
165.12708	3.0
171.11685	4.5
173.13295	17.6
175.14876	22.6
176.13281	2.5
177.16376	23.9
185.13222	5.0
187.14778	16.3
189.06842	3.2
189.16388	66.1
191.17966	12.0
201.16365	31.0
203.02271	2.4
203.17940	53.3
205.15897	9.7
205.19511	9.3
207.17395	14.9
213.16415	6.0
215.17885	16.9
217.15892	5.8
217.19469	6.4
219.17432	11.2
221.19031	6.4
227.17857	3.4
229.17371	3.1
229.19463	4.4
231.17618	5.7
233.19058	3.5
235.16930	5.0
240.97461	2.9
241.19470	4.4
243.21092	3.3
245.05939	4.3
247.07701	3.4
247.16959	5.7
249.18423	7.8
257.22699	3.0
261.18549	4.4
273.05463	5.1
273.22086	2.7
289.21103	2.9
301.04929	9.0
303.06451	8.9
305.09647	4.1
322.09778	2.7
324.07721	3.5
337.08511	2.8
339.10193	3.3
347.05316	4.2
349.08606	8.7
361.08713	3.1
364.07001	3.3
367.09833	7.3
377.08136	10.5
378.08447	3.2
379.09659	8.4
380.06830	9.9
381.07483	3.1
384.58585	2.6
391.33487	7.7
395.09222	20.1
396.09665	5.3
397.30978	8.4
405.07303	5.5
406.07898	2.4
408.06396	5.1
409.34665	60.6
410.35147	3.6
423.08624	100.0
424.09015	15.2
425.34106	5.1
427.52576	2.4
437.34033	22.0
455.11243	96.2
455.35117	40.2
456.11627	23.5
456.35492	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	455.3516
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
55.05509	14.4
55.35834	2.3
57.07069	5.0
67.05503	23.6
69.07056	19.9
69.28375	21.6
71.04959	2.2
76.54273	1.8
79.05484	16.3
81.07052	48.8
83.08620	11.1
85.06544	5.7
91.05457	16.2
93.07037	40.9
95.08604	95.7
97.06474	2.8
97.10152	7.2
99.08071	6.1
105.06319	2.8
105.07021	49.8
107.07888	3.7
107.08588	67.6
109.06534	4.2
109.10152	62.4
111.08041	5.0
113.09641	3.3
117.07006	6.5
119.08575	69.8
121.10134	57.9
123.08085	10.3
123.11700	18.3
125.09620	4.3
127.11127	3.9
129.45148	1.9
131.08569	20.7
133.10117	58.0
134.10513	2.5
135.08087	2.8
135.11684	30.7
137.13313	10.0
143.08525	7.6
143.81735	2.1
144.09305	3.3
145.10123	39.1
147.11687	41.3
149.13248	24.8
151.11220	3.9
151.14865	2.8
152.32645	2.4
155.08521	2.7
157.10106	11.1
158.10919	4.1
159.11703	40.0
160.11937	2.5
161.13271	30.9
163.11180	7.2
163.14809	15.7
165.12749	4.7
169.10141	4.8
171.11713	12.5
172.12552	2.2
173.13235	23.9
175.14835	31.1
177.12717	4.6
177.16382	32.3
179.10631	2.7
183.11710	5.1
185.13251	7.8
187.14812	26.4
187.16302	3.7
189.12738	3.1
189.16383	42.6
191.14391	5.3
191.17957	13.5
192.37512	2.0
192.58568	2.1
193.15880	7.6
197.13289	3.0
199.14868	4.8
201.16374	65.8
202.16785	2.5
203.14371	2.3
203.17941	40.5
205.15840	13.4
205.19435	2.8
207.17482	8.3
211.14815	4.3
213.16362	9.5
215.17886	15.5
217.15941	3.3
217.19429	4.6
219.17482	16.4
221.19008	2.9
223.14861	2.3
225.16386	4.2
227.17963	4.5
229.19463	4.3
231.17418	14.7
233.18927	5.8
235.17020	6.3
241.19348	2.4
249.18524	14.9
255.21158	3.5
259.20474	3.2
261.18469	4.6
281.22617	3.0
283.24167	5.0
295.24304	3.3
313.25067	3.6
327.23123	4.8
329.24643	4.1
343.26205	7.2
391.33707	11.2
401.32663	2.4
409.34729	30.9
410.34744	3.6
419.33026	15.4
427.35910	5.7
437.34180	84.1
438.34430	5.9
450.37906	2.3
455.35184	100.0
456.35641	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
57.03431	0.9
57.07064	2.9
64.01213	1.0
67.05500	12.4
69.07060	10.1
69.74586	6.1
71.04970	1.5
72.29033	0.8
76.30463	0.9
77.03905	0.9
79.05490	12.6
81.07053	19.8
83.08607	6.5
89.04062	1.0
90.58408	1.0
91.05474	9.5
93.07037	17.7
93.50571	0.9
95.04979	1.9
95.08602	37.2
97.06546	1.7
97.10159	3.0
98.56393	1.0
105.07026	15.9
107.08586	41.6
109.06503	2.1
109.10149	20.5
111.08073	7.0
117.07020	3.2
119.08570	29.7
119.09377	2.1
121.10134	29.4
123.08060	2.5
123.11685	5.6
125.06004	1.4
125.09656	1.5
129.06972	1.2
131.08575	6.6
133.10118	22.0
135.08052	1.5
135.11676	12.8
137.09657	2.4
137.13223	0.9
141.07083	1.1
143.08542	2.0
145.10120	16.7
147.11690	16.9
149.09608	1.2
149.13255	13.6
151.11137	1.2
153.09068	2.4
156.27530	1.0
157.10107	3.8
159.11685	11.2
161.09625	1.6
161.13245	11.6
163.11209	10.6
163.14798	6.6
165.12737	1.5
167.10681	1.5
169.10091	1.3
171.11703	2.2
173.11856	1.6
173.13211	5.6
175.11343	1.2
175.14827	16.6
177.12810	1.1
177.16380	32.5
178.16750	1.1
183.11609	1.2
185.13257	2.2
187.14812	13.6
189.12811	2.2
189.16383	19.2
191.17989	5.4
199.14743	1.7
201.16342	6.6
203.14235	2.0
203.17955	33.0
204.18224	1.0
205.15874	100.0
205.19530	6.0
206.16240	3.2
207.17474	5.9
213.16440	2.7
215.17908	5.8
217.15858	1.2
217.19473	1.5
219.17412	3.4
221.19041	1.5
225.16272	1.3
227.17845	1.6
229.19524	1.3
231.17407	3.6
233.18912	1.2
235.16968	3.3
241.19600	1.5
245.22836	1.2
249.18539	7.6
261.18512	1.4
285.25757	2.6
295.24149	3.9
312.94580	1.0
313.25217	8.2
339.26941	1.3
391.33572	3.2
409.34656	40.5
410.35040	2.4
425.34125	2.1
437.34396	11.2
438.34906	1.1
442.87073	1.1
455.35751	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	455.3523
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
53.03953	3.7
55.05519	14.9
55.79099	2.4
57.07077	6.6
58.96456	2.3
59.05000	3.6
65.03919	3.2
66.26479	2.2
67.05496	27.7
69.07066	24.2
79.05493	19.8
81.07056	52.2
83.08645	13.1
85.06574	8.9
91.05483	21.4
93.07053	40.0
94.59960	2.7
95.04971	4.0
95.08610	77.2
95.09183	5.1
97.06545	5.7
97.10213	7.6
99.08118	7.2
105.07027	40.9
107.08595	58.4
109.06540	9.1
109.10159	47.2
111.08108	7.4
113.09694	3.2
117.07012	4.4
119.08580	53.8
121.06519	3.8
121.10149	42.3
123.08109	6.0
123.11704	22.3
127.07571	15.4
127.11224	3.0
128.06190	3.7
128.31718	2.8
128.97141	2.5
129.07001	6.2
131.08566	25.0
133.10133	44.3
134.10498	3.5
135.08083	17.3
135.11681	38.0
137.09689	8.9
137.13245	16.6
142.07784	4.1
143.08563	13.9
144.09375	4.3
145.10112	32.6
147.11702	43.8
149.09680	7.3
149.13298	21.3
151.11166	3.1
155.08504	2.5
156.09349	2.9
157.10136	17.4
159.11713	27.2
161.13239	19.6
163.14882	10.3
165.09196	9.4
169.10199	3.3
171.11652	16.3
173.13193	18.8
175.11330	2.7
175.14812	14.9
177.12827	3.3
177.16420	13.8
179.14395	5.4
183.11761	5.1
184.12593	3.1
185.13347	9.8
187.14850	15.5
189.12732	4.0
189.16432	23.2
191.14375	8.6
191.17931	13.0
195.11739	4.6
197.13289	6.3
199.14891	10.4
201.16422	15.2
203.14305	6.6
203.18001	18.3
205.15967	9.7
211.14958	5.8
213.16531	3.7
215.14409	6.7
215.18037	9.4
217.15941	8.4
217.19518	6.3
219.17503	6.5
221.15485	4.4
225.16431	4.0
229.15974	4.2
229.19650	4.3
233.15344	20.0
235.17010	4.5
239.18045	3.1
241.19531	3.6
247.17101	5.0
261.18604	3.0
275.20319	3.0
285.22150	7.4
331.22708	3.7
349.29037	2.9
391.33582	3.2
409.34656	6.4
419.33325	9.9
437.34375	38.9
438.34473	4.1
455.35403	100.0
456.35605	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43948	1.4
53.03950	1.8
55.01886	2.1
55.19830	1.1
56.27935	1.3
56.96563	5.7
57.03434	2.6
61.02916	3.4
67.05498	1.3
69.03439	11.0
70.06595	35.9
71.05000	2.7
71.50680	1.6
73.02906	2.2
79.05486	1.3
81.03413	6.7
85.02904	16.8
86.06063	2.6
86.09689	1.4
87.04476	1.4
90.45451	1.2
91.03915	1.4
95.04978	1.9
97.02881	7.4
98.97565	7.8
99.04465	4.4
109.02866	3.9
113.07124	36.9
115.05469	2.6
115.08675	1.3
116.98627	5.3
117.05561	1.6
119.01942	2.8
121.10149	1.7
127.03918	27.5
128.98630	2.3
130.08690	1.2
131.01884	1.2
132.08125	2.1
134.99622	2.1
137.06020	1.4
139.03885	2.6
141.06561	10.7
143.01894	2.6
145.04956	5.0
146.05977	1.6
146.99655	1.3
147.04410	2.0
150.05518	2.3
153.01781	7.0
157.03423	1.4
158.99619	2.2
159.07732	6.2
160.07578	100.0
161.02982	3.8
161.07864	1.4
162.05530	1.3
163.03899	5.1
171.06683	1.4
172.07570	3.4
173.02980	1.6
174.09145	4.4
177.00731	3.8
177.10229	9.2
184.07603	1.7
184.75577	1.2
185.02997	1.5
186.09106	10.2
189.00737	1.6
196.07486	1.5
198.09158	3.2
201.08701	1.8
202.08676	3.5
203.11853	2.5
216.10204	2.6
219.01796	4.3
226.93631	1.4
228.10193	4.9
234.98967	2.0
237.02744	6.1
239.11819	2.3
240.10258	1.4
245.05083	1.6
246.11116	1.9
249.06335	1.3
257.12897	4.9
258.11145	1.6
264.12332	7.4
267.09790	3.4
276.12277	10.9
277.03357	1.3
285.10773	23.3
293.13632	5.0
299.13522	1.3
303.11810	7.2
307.04715	1.5
309.08560	1.4
321.08743	1.3
367.09384	1.6
408.16217	1.7
419.10065	1.3
426.17908	7.9
437.19193	1.8
438.17712	5.4
438.74026	1.6
455.20245	21.2
456.20587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.35034	0.6
55.01862	1.5
55.05495	0.5
67.05482	1.5
68.09792	0.5
68.99783	1.0
69.03415	2.2
70.06599	3.4
71.04967	0.7
71.51571	0.7
77.03936	0.6
79.05490	1.5
81.03397	1.3
81.07043	1.4
83.04979	0.9
85.02883	1.9
90.95279	0.5
91.05479	3.9
93.03384	1.5
93.07043	1.3
95.04961	11.4
95.08618	1.0
97.02892	0.9
98.97572	0.5
103.05457	0.6
105.07027	1.2
107.04911	1.7
109.02828	0.9
111.04443	1.3
112.07600	1.5
113.07108	0.7
115.05465	0.8
119.04936	5.3
119.07309	0.7
119.08514	0.7
121.02851	2.0
121.06510	0.8
121.10113	0.8
123.04419	100.0
123.11697	0.7
124.04739	1.4
127.03909	1.2
133.06512	0.7
135.04396	3.1
137.02342	1.3
137.05959	1.1
139.03888	34.5
140.07072	0.8
141.05513	0.6
143.04918	1.1
145.02834	1.2
146.46359	0.5
147.04398	23.8
149.05960	0.8
149.09624	0.8
151.03903	1.8
153.00647	0.7
153.01756	3.4
161.05959	4.5
163.03877	6.5
164.04216	0.6
165.01816	1.5
165.05469	33.7
166.05835	0.8
169.04994	0.6
177.05475	1.8
179.03415	0.8
179.07054	1.5
181.04918	0.9
183.02888	1.5
187.03850	0.9
189.05486	2.3
191.03381	24.8
192.03917	0.9
201.05510	0.6
203.03392	2.1
203.06995	0.8
207.06487	5.6
221.04393	1.8
231.06538	2.1
233.04425	1.2
243.06648	2.9
249.07721	0.6
273.07608	2.3
285.07532	6.1
285.10379	0.8
291.08606	16.1
303.08698	1.4
315.13504	0.6
317.06512	3.1
335.09460	0.7
343.08081	5.7
377.09946	0.7
395.11249	4.7
437.11908	0.9
455.15259	2.0
455.22574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69700	0.6
56.96537	0.6
71.50333	0.7
112.52159	0.6
112.88853	1.2
112.89603	16.5
131.01906	1.1
140.99258	0.8
143.01886	0.8
152.02414	0.7
161.02974	1.4
173.02985	1.8
181.01839	0.7
220.91251	0.5
245.05339	0.7
263.06113	2.2
267.24518	0.6
275.06085	2.9
295.55811	0.6
349.86255	0.9
399.54736	0.6
455.11612	100.0
456.11981	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	454.2926
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.40655	1.1
55.05499	3.9
57.03428	4.1
57.07079	21.8
62.05798	1.7
62.06089	23.7
63.22633	1.4
67.05493	5.8
69.07060	5.7
70.12717	5.0
71.08631	13.0
79.05482	3.7
81.07064	15.7
81.62493	1.3
82.07367	1.7
83.08607	5.4
84.09687	1.2
85.10188	8.7
91.05471	2.4
93.07042	5.7
95.08611	20.7
96.08936	2.8
97.10168	2.9
98.21095	3.0
98.98464	3.7
105.07046	6.1
107.08626	7.7
108.08904	1.5
109.10155	10.2
119.08595	6.5
121.10120	5.1
122.10503	1.3
123.11728	4.9
131.08539	1.7
133.10103	4.2
135.11661	3.8
137.13205	2.4
145.10165	4.4
147.11693	3.5
149.13205	1.4
155.00996	6.4
159.11642	2.2
160.12013	2.5
161.13165	1.6
163.14851	2.9
173.13214	1.7
175.14758	3.1
176.15141	1.5
177.16330	1.8
178.16673	1.3
183.11739	1.6
185.13193	1.6
187.14769	2.5
189.16388	3.7
190.16763	1.3
201.16365	4.3
203.17905	1.7
213.16393	1.5
216.06351	3.2
231.17386	1.4
239.23659	1.5
282.27911	10.7
313.27365	100.0
314.27850	3.1
393.23831	4.4
408.33417	5.3
409.34476	1.5
436.27838	2.1
436.33057	3.0
454.34119	12.0
455.35114	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.05515	18.0
57.07077	7.7
67.05223	3.4
67.05512	31.3
69.07068	20.6
70.05302	17.1
72.64034	3.2
79.05490	21.2
81.07059	56.5
83.04979	19.4
83.08623	11.7
91.05477	32.9
93.07050	53.3
95.04989	6.2
95.08607	99.5
97.06532	6.5
97.10172	7.8
105.07030	79.5
107.08593	93.1
109.06521	4.1
109.10149	48.9
111.08105	6.2
116.62048	2.9
117.07038	14.1
119.08580	100.0
121.10139	69.4
122.10457	4.2
123.08060	5.6
123.11703	25.4
125.09630	7.7
128.06190	3.5
129.07056	4.7
130.07782	4.1
131.08569	37.0
133.10130	75.2
135.11681	29.9
143.08553	16.3
144.09344	5.9
145.10121	74.8
147.07964	3.0
147.11687	42.8
149.09564	4.8
149.13240	24.6
151.11218	7.3
153.09068	6.2
156.09383	3.8
157.10144	19.3
158.10930	3.9
159.11697	56.9
161.13274	31.3
163.11110	5.2
163.14842	18.1
171.11713	18.5
173.09593	3.7
173.13266	41.1
175.14839	41.8
177.09126	4.8
177.12732	6.7
177.16382	31.1
183.11803	3.9
185.13231	11.7
187.14838	61.0
189.12758	4.2
189.16371	54.8
191.14294	43.7
191.17920	20.4
193.15886	6.6
197.13219	5.1
199.14798	16.6
201.16368	49.7
203.14285	16.0
203.17946	37.6
205.15869	67.4
205.19328	7.6
207.17482	7.5
213.16400	32.0
215.14590	4.5
215.17972	24.3
217.15907	12.2
217.19502	8.5
219.17435	34.7
221.15390	6.7
225.16389	3.9
227.17912	6.8
229.15947	7.0
231.17496	10.5
233.19040	5.5
235.16965	12.1
241.19551	7.5
243.21234	3.8
247.16936	10.3
249.18550	5.9
255.21042	5.9
267.21112	5.3
288.94006	3.1
311.23715	9.1
337.25220	4.5
389.31885	11.2
395.33414	3.3
407.33029	75.6
408.33420	7.2
409.34540	4.1
423.32422	3.3
435.32477	14.3
453.33676	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05502	15.5
57.07066	5.2
67.05494	24.7
68.40402	2.8
69.07068	17.4
69.26013	24.8
69.76296	2.8
75.29134	2.4
79.05480	17.2
81.07052	59.5
83.04990	18.3
83.08609	12.9
85.92940	2.8
91.05479	27.3
91.68687	2.9
93.07039	54.9
94.07353	3.1
95.04988	7.0
95.08604	97.8
97.10182	5.5
105.07021	70.3
107.08585	83.1
108.08910	3.2
109.06506	7.4
109.10148	48.0
111.08086	8.2
111.17864	2.7
117.07031	8.0
119.08574	100.0
121.10131	53.3
123.11693	25.9
125.09663	5.2
129.07045	4.9
130.73018	2.8
131.08540	38.9
133.10123	67.6
134.10460	2.9
135.11696	25.8
137.09560	3.7
138.65613	3.0
142.07773	5.8
143.08525	8.4
145.10110	62.8
147.11684	45.9
149.09615	3.6
149.13234	18.6
151.11214	3.3
153.09100	6.5
156.09375	4.2
157.10115	20.3
158.07578	2.9
158.10812	3.4
159.11687	47.8
161.09576	3.5
161.13260	34.1
163.14812	23.8
170.10864	4.1
171.11711	13.4
173.13261	33.6
175.11266	4.5
175.14845	42.1
177.12987	2.9
177.16400	28.8
185.13237	9.9
187.14810	53.3
189.16370	63.4
191.14322	22.1
191.17986	18.1
199.14833	19.8
201.16370	52.2
202.16672	3.8
203.14325	10.0
203.17943	52.9
205.15871	58.4
205.19412	5.1
207.17476	3.3
213.16357	20.2
215.17958	22.7
217.15912	10.3
217.19426	5.2
219.17427	25.6
221.15375	5.6
227.18011	3.8
229.15855	4.8
231.17480	6.2
233.19063	4.0
235.16924	13.4
241.19449	5.3
243.21046	3.7
247.16916	6.8
249.18555	8.6
254.97510	2.9
255.21030	6.7
261.18588	6.9
267.21030	6.3
305.67203	3.6
351.26773	3.0
389.31940	9.5
407.33038	53.5
409.34705	6.0
423.32599	5.7
425.34003	5.2
435.32303	15.7
453.33670	37.5
475.48611	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03931	7.1
55.01872	5.2
55.05507	33.2
55.78893	2.7
57.03428	5.6
57.07080	8.2
59.04999	5.4
66.17633	2.5
67.05500	49.2
69.03432	7.5
69.07063	30.6
69.39047	20.5
69.39455	4.0
71.04992	12.3
79.05501	29.2
81.03424	12.3
81.07051	96.5
83.04980	10.0
83.08615	20.3
83.57176	3.1
85.02901	6.9
85.06538	8.3
85.29047	3.2
91.05476	42.1
93.07038	54.5
93.07572	4.6
95.04971	11.9
95.08602	91.1
95.09175	5.1
97.02931	3.5
97.06559	4.1
97.10183	11.0
99.04446	4.8
99.08116	4.4
105.07023	67.7
105.07698	4.4
107.04985	3.9
107.08586	75.6
109.02849	4.3
109.06538	11.4
109.10151	63.0
109.10847	4.7
111.04420	4.0
111.08080	9.3
111.11694	3.0
115.05492	3.3
115.10289	2.9
117.07021	10.3
117.17137	3.1
119.04975	3.3
119.08570	98.3
121.06506	7.8
121.10131	69.7
121.10938	5.1
123.04451	9.3
123.08085	9.9
123.11698	18.2
125.09678	7.2
127.07579	3.4
129.07016	7.1
131.08542	35.5
133.06482	4.0
133.10123	80.9
133.11111	5.4
134.10474	4.1
135.08110	10.3
135.11659	32.9
137.09619	7.3
137.13297	9.8
139.07576	4.9
139.11211	3.7
141.07037	3.0
142.07803	6.5
143.08534	20.1
144.09259	3.6
145.10124	57.4
147.08035	4.5
147.11702	36.6
149.09673	9.2
149.13258	25.5
151.11148	5.8
151.14925	3.6
153.01768	4.1
155.08560	7.8
156.09326	8.1
157.10126	32.4
159.08130	4.0
159.11673	48.6
161.09683	10.7
161.13257	32.1
163.03932	4.3
163.11240	8.1
163.14838	15.5
165.05569	3.2
165.09126	3.5
169.10146	8.5
171.11635	25.3
172.12317	3.3
173.11929	5.1
173.13274	29.7
175.11221	5.7
175.14824	38.2
177.09201	3.4
177.12825	4.8
177.16362	29.0
179.08574	3.1
179.10594	4.0
179.14346	6.2
183.11703	8.8
185.13240	18.3
187.14799	51.0
189.12749	7.8
189.16364	39.9
191.14398	9.3
191.18002	12.4
193.12407	7.3
193.15999	5.4
197.13326	10.7
198.13823	4.7
199.14868	22.2
201.12747	4.1
201.16380	51.3
203.14359	8.9
203.17982	28.8
205.15939	22.0
207.17580	3.8
209.13414	3.6
211.14842	8.8
213.16374	15.9
215.14378	9.1
215.17879	21.6
217.15926	11.3
217.19421	4.8
219.17459	15.0
221.15335	5.7
223.14807	4.2
225.16446	5.9
227.17989	9.0
229.15906	6.8
229.19545	6.8
231.17551	9.4
233.15382	4.0
233.19044	6.7
235.16859	5.3
237.16487	5.3
239.18069	6.5
241.19557	6.6
245.19116	6.7
247.17017	13.5
249.14908	6.1
253.19687	6.3
255.21135	3.6
259.20703	3.4
261.18503	5.2
267.21082	4.3
299.20367	3.9
311.23740	7.1
389.32181	12.2
399.32834	5.0
407.33130	46.0
417.32434	5.4
423.32791	5.6
435.27701	3.2
435.32886	45.4
453.33844	100.0
454.34109	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05515	23.7
57.07069	5.7
62.55026	3.1
66.16320	3.0
67.05507	28.6
68.55849	3.5
69.07072	32.3
69.47784	9.6
69.48193	16.0
79.05487	22.0
81.06606	4.1
81.07062	67.8
83.08602	14.4
85.06521	3.6
91.05476	23.8
93.07044	50.4
95.04952	9.2
95.08608	96.2
97.06526	7.0
100.11237	4.1
105.07032	71.3
105.98000	3.5
107.08595	83.1
109.06499	10.3
109.10159	55.0
117.07034	10.6
119.07716	4.8
119.08574	100.0
121.06458	6.8
121.10143	48.4
123.08063	6.2
123.11690	15.5
125.09606	4.4
129.07053	4.2
131.08560	34.1
133.10124	67.3
135.08020	8.1
135.11710	25.6
142.07722	4.0
143.08521	17.9
145.10132	52.3
147.11694	41.6
149.09593	9.4
149.13266	21.9
153.09077	5.1
155.08527	5.2
157.10201	20.8
158.10896	4.3
159.11691	45.6
161.09595	8.3
161.13268	36.2
162.13730	3.8
163.07471	3.9
163.14816	22.8
169.10172	8.2
171.11703	16.8
173.13266	26.3
175.11116	3.8
175.14816	65.9
177.12668	5.6
177.16429	29.3
182.61481	3.5
183.11766	7.6
185.13240	12.7
187.14827	55.7
189.16374	80.8
191.17914	13.3
193.15910	6.7
199.14865	18.1
201.16376	53.2
203.14374	10.8
203.17982	52.3
205.15851	25.5
207.17438	6.8
213.16328	19.4
215.17944	11.1
217.15857	19.0
219.17444	14.7
221.15375	29.7
225.16418	7.0
227.17838	7.4
229.15938	4.0
231.17474	10.7
233.19008	11.6
235.16943	8.7
241.19461	8.0
247.16879	8.2
249.18510	6.3
253.19510	5.2
259.20572	8.1
267.21124	7.2
283.20853	3.8
283.24252	5.0
293.22412	5.5
311.23944	4.4
327.23178	6.3
329.24753	4.5
389.31961	15.1
395.30072	4.4
407.33087	82.5
408.33264	7.0
425.34082	15.2
435.32675	35.1
436.32730	4.6
453.28113	4.3
453.33752	63.2
454.33578	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03925	5.8
55.05503	19.0
57.07082	4.0
65.27004	2.7
66.29286	2.6
66.41534	3.0
67.05502	25.4
69.07066	22.9
70.23000	12.8
74.34567	2.6
79.05487	20.9
81.07047	66.3
83.04939	4.3
83.08617	9.9
86.93544	2.8
91.05488	19.2
93.07037	49.1
95.05003	3.5
95.07986	5.3
95.08598	88.1
97.10137	4.4
105.07020	62.5
107.08583	81.7
107.09314	4.7
109.06528	10.1
109.10138	38.9
111.08057	25.1
117.07015	10.2
119.08567	77.9
119.09375	4.8
120.08995	2.9
121.10125	51.0
121.89198	2.7
123.11698	20.6
125.09677	4.5
128.06224	3.0
129.06985	8.5
131.08543	29.2
133.10109	43.2
133.10991	4.5
135.11681	29.3
137.13235	5.7
139.11208	6.9
141.06987	3.7
143.08560	21.3
145.10120	58.8
147.11673	32.9
149.09587	4.7
149.13245	33.1
155.08553	10.4
157.10126	24.9
159.07993	3.1
159.11690	39.7
161.13243	27.5
163.14821	20.4
165.12756	5.7
165.16376	3.6
169.10153	9.6
171.11659	24.3
173.13217	31.4
175.14804	46.8
177.16359	17.1
179.14290	5.0
183.11760	9.0
184.12529	4.0
185.13222	17.5
187.14795	36.9
189.16371	29.3
191.14490	3.6
191.18007	5.9
193.15826	5.1
195.11700	3.0
197.13306	12.7
199.14868	22.2
201.12582	3.7
201.16382	39.0
202.16728	3.8
203.14302	4.1
203.17876	15.1
205.15909	9.2
207.17528	4.7
208.14743	3.3
211.14821	8.0
213.16350	30.6
215.18001	15.0
217.15869	7.6
219.17500	11.4
223.14891	7.0
225.16364	9.4
227.17946	11.8
228.93393	3.1
229.19476	4.2
231.17444	9.4
233.19078	5.6
235.16998	6.1
237.16539	3.9
239.17926	15.2
241.19528	38.5
243.17650	2.9
243.21016	5.2
245.15363	8.2
245.18987	4.0
247.16982	13.1
253.19542	12.0
255.21117	4.5
257.19180	4.3
259.16928	5.0
259.20633	8.8
261.18616	4.8
265.19519	4.7
267.20969	16.9
269.22525	3.7
279.20999	3.7
281.22809	3.7
285.18539	14.3
287.20206	8.1
293.22617	6.1
299.20123	9.1
301.21426	4.3
311.23721	8.0
319.24539	3.4
327.23251	3.7
333.26147	3.9
347.27588	4.9
349.28900	7.0
353.24667	4.5
389.31818	15.7
390.36203	2.9
395.29224	5.2
407.33069	67.6
408.33582	4.9
409.34653	5.6
423.32816	8.2
425.34055	3.6
435.32596	53.4
453.33685	100.0
454.33771	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.54512	1.9
50.74509	2.1
52.92585	2.1
53.03950	4.3
55.01846	2.9
55.05505	16.3
57.07071	5.5
67.05497	20.5
69.07062	22.6
69.50314	11.5
69.50739	8.6
78.09175	2.5
79.05489	18.0
81.06603	2.6
81.07054	44.4
81.07522	3.2
83.04978	5.2
83.08627	11.8
91.05470	19.4
93.07032	35.0
95.08602	67.1
97.06509	3.4
97.10167	3.4
105.07028	45.1
107.08587	56.3
107.92013	2.3
109.06507	3.7
109.10153	31.4
111.08073	4.3
117.07040	7.0
119.07715	3.5
119.08574	70.9
119.09382	4.7
121.06577	3.5
121.10131	52.3
123.08059	2.6
123.11691	20.0
125.09618	3.7
128.06232	2.4
129.06990	6.0
131.08536	21.4
133.10130	50.4
135.08061	6.7
135.11681	25.0
137.09648	2.5
137.13217	4.4
140.25507	2.6
141.06923	2.6
142.07764	3.0
143.08603	14.9
145.10112	51.2
147.11688	29.4
149.09634	4.5
149.13254	16.2
151.11113	3.2
155.08559	4.5
156.09319	4.0
157.10114	15.9
159.11696	37.4
161.09581	3.5
161.13261	16.3
163.11205	7.5
163.14810	12.3
169.10130	7.3
171.11679	16.4
172.12508	3.5
173.09695	3.2
173.13258	23.7
175.11189	4.7
175.14827	39.2
175.69179	2.5
177.09149	4.8
177.16348	22.2
183.11703	5.1
185.13289	10.8
187.14807	42.9
189.12703	3.3
189.16354	38.3
190.13490	3.5
191.17970	9.3
195.11485	2.9
197.13310	5.5
199.14844	14.2
201.16379	50.0
203.14369	8.0
203.17964	14.9
205.15877	35.1
205.19562	3.3
207.17523	4.4
211.14867	6.2
213.16417	9.6
215.14255	4.1
215.17845	11.0
217.15883	8.9
219.17438	12.0
221.15407	3.9
223.14825	3.5
225.16359	4.4
227.17911	6.7
229.15953	4.6
229.19644	4.5
231.17427	8.9
233.19041	4.8
235.16922	4.7
237.16443	4.3
239.17900	4.7
241.19508	8.3
245.15517	4.1
247.16948	16.4
253.19443	4.6
255.20869	2.8
259.17047	3.1
259.20636	6.2
265.19537	4.3
267.21118	5.0
273.18442	3.0
293.22873	3.4
311.23697	6.8
319.24344	2.5
347.27490	3.8
353.24881	2.8
389.31885	17.6
407.33051	52.3
408.33517	4.1
423.32608	3.4
435.32550	39.4
436.33142	5.2
453.33655	100.0
454.33749	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05511	17.3
57.07051	4.0
65.03930	2.8
67.05506	25.5
69.07069	20.2
69.09409	2.1
69.41067	9.2
69.41496	9.0
79.05491	22.0
81.06600	5.3
81.07050	68.8
83.04974	17.4
83.08607	10.7
90.89923	2.4
91.05473	24.4
93.06488	4.3
93.07041	50.5
95.04947	10.4
95.08606	82.5
97.06506	4.5
97.10139	4.5
105.07027	59.7
107.07885	4.8
107.08589	71.9
108.08855	2.7
109.06503	8.1
109.09483	3.6
109.10156	45.3
111.08081	12.0
111.11787	2.5
117.07012	11.1
119.08580	100.0
120.97225	2.4
121.10132	55.1
123.08066	7.2
123.11677	16.2
125.09626	3.9
129.07034	4.6
131.08557	31.2
133.10123	61.0
135.08035	8.9
135.11671	25.0
137.09627	6.1
137.13263	2.8
143.08549	17.5
144.09294	5.4
145.10114	66.3
147.11674	40.9
149.09677	4.9
149.12119	3.8
149.13222	25.8
151.11148	5.3
153.09056	3.4
156.09338	2.7
157.10141	19.4
159.11681	50.4
160.12189	2.6
161.09596	4.0
161.13240	37.5
163.11143	7.6
163.14781	19.9
165.12737	3.1
169.10104	4.7
171.11671	16.4
173.13272	24.3
175.11189	4.2
175.14812	38.0
177.12793	6.1
177.16380	27.7
181.04936	6.9
183.11728	5.7
185.13239	10.7
187.11238	2.9
187.14815	46.5
188.15173	2.7
189.16382	57.4
191.14319	20.8
191.18018	13.9
193.16002	2.8
197.13243	9.3
199.14806	18.5
201.12659	4.7
201.16354	57.5
201.18057	4.8
202.16785	3.4
203.14323	10.4
203.17944	29.4
205.15842	25.9
207.17499	3.1
211.14824	3.4
213.16379	26.0
215.14346	5.4
215.17918	28.9
217.15898	26.3
217.19508	5.5
219.17401	27.1
221.15382	3.4
225.16351	5.1
227.17882	6.9
229.15834	4.8
229.19458	4.8
231.17424	13.7
233.18982	8.1
235.16907	13.4
239.17998	5.6
241.19508	11.0
243.21149	5.6
245.18922	2.5
247.16942	11.2
249.18513	4.6
253.19467	6.8
255.21094	7.2
259.20560	3.1
261.18451	7.3
263.15717	2.7
267.21063	10.9
269.22635	5.3
271.20810	3.5
281.22809	2.8
285.18558	3.2
287.20184	3.1
307.24258	3.8
311.23785	7.8
313.21426	2.9
327.22958	2.8
353.24905	2.7
389.32074	17.2
407.33078	94.4
408.33307	7.8
409.34775	5.5
423.32684	3.6
435.32620	28.9
436.33035	3.9
453.33694	78.4
454.33829	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.01886	2.5
55.05500	16.0
57.07062	6.7
67.05504	21.5
69.07063	24.4
69.49358	9.3
69.49790	8.6
79.05473	14.1
81.07051	47.0
83.04967	10.6
83.08618	12.0
85.06512	3.9
85.31641	2.2
91.05492	20.1
93.06487	3.9
93.07040	37.3
95.04974	6.1
95.08601	65.3
97.06518	3.7
97.10153	5.3
99.71133	2.5
105.07029	56.9
107.08587	59.0
109.06485	4.5
109.10150	35.3
111.08067	6.6
117.07012	7.9
119.07700	4.9
119.08568	100.0
120.47251	2.2
120.70284	2.5
121.06551	2.4
121.10132	51.6
122.35040	2.3
123.08044	7.8
123.11719	13.8
125.09601	3.3
129.06969	7.2
130.07851	2.5
130.61157	2.4
131.08572	23.5
133.10123	71.8
135.08018	10.6
135.11681	22.9
136.12094	2.5
137.09590	3.1
137.13255	4.6
142.07776	6.1
143.08517	18.0
144.09219	2.8
145.10123	45.8
147.08020	6.6
147.11664	46.0
149.09599	9.7
149.13264	17.0
151.11140	3.9
153.09061	3.9
155.08542	6.7
156.09392	5.4
157.10124	27.7
159.11676	39.2
161.09583	5.7
161.13229	24.2
163.11148	5.2
163.14807	23.2
169.10077	7.0
170.10870	9.6
171.11653	21.2
172.12410	3.6
173.13237	20.1
175.11186	15.6
175.14803	38.2
177.12776	2.3
177.16374	34.1
181.10036	2.5
183.11659	4.4
184.12448	8.8
185.13292	12.9
187.14801	42.5
189.12720	5.4
189.16371	99.1
190.13574	2.4
190.16666	3.8
191.14296	5.4
191.17966	12.4
193.15816	4.3
197.13258	3.1
198.13927	2.9
199.14813	61.9
200.15289	2.8
201.16385	49.5
202.16812	2.9
203.14334	12.0
203.17946	40.8
205.15862	15.1
207.17387	7.5
211.14886	4.2
213.16347	18.4
215.14305	4.8
215.17903	12.1
217.15848	33.0
217.19557	4.7
219.17436	24.7
223.14888	3.1
227.17892	6.3
229.15852	5.7
231.17433	26.9
233.18983	3.0
235.16945	7.7
241.19589	4.5
243.17363	3.7
247.17084	4.1
249.18414	2.9
261.18536	2.8
389.31915	8.3
407.33060	63.3
408.33530	4.0
417.31464	3.3
423.32129	3.2
425.34146	5.1
435.32541	36.0
436.32849	4.0
439.86377	3.0
453.33731	76.0
454.33987	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05513	17.4
57.07077	4.5
64.71244	3.4
67.05504	23.4
69.07063	20.0
69.93876	9.2
69.94294	11.1
70.58035	3.2
79.05484	22.2
81.07050	51.6
83.04981	21.3
83.08607	9.6
85.06509	3.4
91.05476	22.2
93.07047	51.5
95.04955	6.2
95.08604	64.9
97.10140	3.9
105.06313	4.6
105.07028	82.7
107.08592	77.5
109.06487	8.0
109.10146	50.5
111.08086	12.5
117.07027	12.4
119.08575	100.0
121.10127	50.0
123.11669	21.8
125.09601	11.9
129.06970	5.8
131.08545	32.9
133.10121	75.1
133.34471	3.1
135.11688	21.7
143.08539	12.8
144.09325	4.2
145.10110	64.4
147.11659	39.7
149.09610	4.9
149.13252	14.9
151.11211	7.8
157.10106	15.1
159.11671	61.4
160.12201	3.6
161.13223	28.7
163.14827	16.2
171.11699	14.5
173.13269	32.7
175.14847	39.6
177.12727	5.4
177.16386	21.5
185.13300	9.1
186.14037	3.6
187.14818	54.7
189.16380	67.9
189.17947	6.6
191.14316	18.5
191.17941	15.7
199.14772	17.7
201.16373	83.7
202.16730	5.0
203.17892	27.8
205.15872	26.5
207.17410	6.4
212.68311	4.1
213.16423	29.4
215.17949	34.6
217.15912	13.1
217.19554	10.4
219.17415	45.5
227.17908	6.8
229.16010	3.5
231.17390	5.6
235.16904	22.7
241.19495	8.0
243.21118	8.6
247.16876	10.5
261.18484	8.5
267.20975	11.4
342.70435	3.4
379.33459	4.1
387.15918	3.8
389.31964	15.0
407.33096	67.5
408.33347	4.6
409.34579	8.2
415.99579	3.6
419.23132	3.6
435.32669	16.7
453.33640	36.1
454.33966	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76210	2.2
53.03943	2.7
54.84907	2.5
55.05500	14.5
57.07063	6.2
67.05502	22.9
69.07063	17.9
79.05489	20.5
81.07051	59.7
83.04970	15.9
83.08624	10.5
91.05484	25.0
93.07038	56.7
95.04958	5.2
95.08601	87.4
95.09187	5.5
97.10150	7.2
98.21590	4.5
105.07022	73.7
107.08591	85.0
109.06511	8.4
109.10150	47.8
111.08081	6.2
117.06998	10.3
119.08579	100.0
120.08887	2.8
121.10139	61.7
123.08080	4.5
123.11723	28.7
123.52946	3.0
125.09615	9.8
130.07739	3.3
131.08543	42.2
133.10121	69.9
135.11667	27.1
137.13217	4.1
142.07799	4.0
143.08551	20.1
144.09332	5.2
145.08958	3.7
145.10104	66.6
147.11696	32.5
149.09607	3.7
149.13194	18.3
149.98074	2.7
151.11179	6.4
153.09093	3.3
156.09369	3.3
157.10104	15.3
158.10927	4.2
159.11696	58.6
161.13257	30.5
163.11140	3.3
163.14812	14.4
169.10069	4.8
171.11700	11.0
173.13257	39.1
175.14796	31.0
176.84607	2.8
177.09106	4.0
177.16371	16.9
183.11719	3.1
185.13271	8.9
187.14806	50.1
189.16391	49.4
191.14232	16.6
191.17920	23.0
193.15828	3.4
197.13182	7.6
199.14839	19.0
201.16374	63.5
203.14317	4.0
203.17929	22.1
205.15869	38.0
211.14813	4.1
213.16354	30.9
215.17944	26.9
217.15912	8.0
217.19476	7.5
219.17436	35.3
227.17924	5.7
229.15855	6.1
229.19620	3.6
231.17435	4.3
231.21194	3.7
233.18988	7.4
235.16888	12.0
241.19585	3.6
243.21056	4.9
247.16908	11.3
249.18498	3.9
251.17993	2.9
253.19522	4.2
255.21124	4.9
261.18466	7.6
267.21115	10.4
281.22504	4.7
311.23611	6.0
389.32068	10.0
407.33078	65.7
408.33484	5.1
423.32416	3.5
435.32635	19.4
453.33755	35.8
454.34003	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03948	3.1
55.05500	13.9
55.13751	2.7
57.03453	3.9
57.07060	7.6
67.05505	23.2
69.07068	21.0
71.70587	2.2
79.05491	29.8
80.77740	2.3
81.07043	49.2
83.04977	3.3
83.08620	11.6
85.06535	2.8
91.05466	28.1
93.07040	39.0
95.04953	5.1
95.07988	4.6
95.08598	89.0
95.09184	4.8
97.06530	4.4
97.10188	4.1
105.07021	52.4
107.08583	100.0
109.06511	7.8
109.10157	41.5
111.08067	3.3
117.07000	6.4
119.07708	4.3
119.08569	81.1
121.06502	2.9
121.10128	55.6
123.08051	7.0
123.11725	12.5
129.07022	5.2
131.08554	23.3
133.10117	60.3
135.08034	41.2
135.11671	29.9
137.09563	2.5
137.13239	6.1
143.08545	11.4
144.09264	2.6
145.10118	35.5
147.11670	36.9
149.09648	4.3
149.13249	36.2
151.11160	2.6
152.72394	2.7
155.08501	3.3
157.10124	13.8
158.10970	2.8
159.11678	27.8
161.09618	10.4
161.13234	33.0
163.11130	3.3
163.14813	20.2
165.16447	2.5
169.10089	4.5
170.10783	2.9
171.11667	10.2
173.09720	2.5
173.13248	20.2
175.11247	7.8
175.14804	49.9
177.12830	3.9
177.16405	22.4
179.10660	7.6
181.04916	4.2
183.11699	2.8
184.12445	3.2
185.13271	10.7
187.11176	3.1
187.14810	30.1
189.12724	6.8
189.16379	44.7
191.14244	4.1
191.17935	11.3
192.21964	2.5
193.12088	3.1
193.15891	6.8
195.11748	5.1
197.13228	4.7
199.14780	13.3
201.12706	3.0
201.16385	28.0
203.14304	30.8
203.17932	56.3
204.14853	3.3
205.15907	19.5
205.19528	2.8
211.14651	3.8
213.16351	10.0
215.17944	8.1
217.15829	11.4
217.19493	4.3
219.17438	8.9
221.15346	96.7
227.17978	4.1
229.15985	6.4
229.19514	6.0
231.17393	6.0
233.19020	7.0
235.16983	6.5
239.17894	3.4
241.15871	3.3
247.16922	4.3
249.18486	4.3
253.19432	3.0
311.23706	9.7
329.24866	11.8
389.31934	6.6
407.33093	51.6
408.33185	2.6
417.31927	3.1
425.10486	2.4
425.34116	43.3
435.32712	23.1
453.33615	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03960	2.9
55.05503	6.7
57.07072	4.3
63.32111	1.9
67.05494	12.2
69.07070	11.9
70.15890	2.0
70.96322	6.3
71.08640	2.5
79.05479	7.9
81.07056	24.1
83.08614	4.9
89.06007	12.6
90.06337	3.3
91.05495	10.8
93.07033	17.6
95.04978	2.6
95.08602	35.8
97.06528	2.6
97.10123	4.4
100.11238	3.4
105.07026	16.3
107.08595	35.9
109.06497	4.1
109.10165	23.2
111.08130	2.2
117.07033	2.7
119.08590	19.4
121.06445	3.5
121.10146	29.0
123.08012	3.2
123.11682	6.8
125.66661	2.0
129.06975	2.0
131.08560	10.2
133.08574	5.1
133.10095	18.0
134.08957	2.8
135.11684	9.4
137.13225	4.3
143.08565	9.4
145.10112	14.1
147.11661	12.8
149.09702	2.6
149.13292	17.6
157.10149	9.1
159.08035	2.6
159.11665	16.8
161.13226	7.6
163.14848	11.3
171.11676	10.3
173.13272	12.5
175.14766	4.4
177.16364	16.8
183.11679	4.2
185.13197	6.4
187.14803	7.1
189.16495	3.3
191.17967	2.8
195.11758	2.5
197.13199	7.9
199.14812	6.3
201.16415	5.4
203.17883	4.0
213.16330	5.8
215.17896	7.6
217.19498	2.3
225.16504	2.6
227.17972	8.1
229.19556	4.0
231.17551	3.1
237.16360	3.1
239.14912	8.7
240.15176	4.7
241.19556	3.4
243.20889	3.0
245.19118	3.3
251.17926	3.8
255.21078	2.8
259.16901	3.0
269.22610	10.3
273.18417	13.0
283.24185	7.6
291.19519	9.8
315.19568	15.3
343.22571	2.6
389.32071	6.4
391.33328	2.9
407.32977	2.4
409.62018	3.1
423.32724	3.5
435.32538	18.1
448.80957	2.2
453.33624	100.0
454.33820	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03940	4.3
55.05503	25.9
57.07063	4.4
67.05500	32.5
69.07063	26.9
69.49119	23.2
79.05499	20.4
81.03436	4.3
81.07052	71.0
83.04977	44.6
83.08607	12.6
83.21241	2.9
91.05464	30.8
93.07036	61.8
93.75398	2.6
95.04964	19.1
95.07997	4.7
95.08604	98.1
97.06527	4.3
97.10162	8.5
98.21488	6.9
99.04446	3.6
105.07025	77.6
107.08587	95.0
109.06501	9.5
109.10154	55.9
111.08068	5.2
117.07025	10.2
119.08577	100.0
121.06514	5.5
121.10140	70.7
123.04446	3.2
123.08090	15.7
123.11677	18.8
125.09653	9.8
127.03902	3.4
128.06113	3.1
129.06950	4.4
131.08546	32.2
133.10129	71.7
135.08044	11.6
135.11696	34.9
137.05930	3.1
137.09590	4.0
137.13234	5.4
142.07767	5.6
143.08574	15.1
145.10110	57.7
147.08057	3.9
147.11673	58.7
149.09628	7.7
149.13263	28.2
151.07518	3.2
151.11200	6.0
153.09135	7.6
155.08522	4.9
156.09372	3.4
157.10141	23.9
158.10872	5.0
159.08130	3.3
159.11693	49.1
161.09637	7.1
161.13248	43.7
163.11174	7.0
163.14812	20.7
165.12711	4.6
167.10670	3.9
169.10135	4.1
170.10866	4.4
171.11708	15.7
173.13271	25.2
175.11185	9.1
175.14801	36.5
177.09145	4.0
177.12817	6.7
177.16365	30.6
179.14285	4.3
183.11705	7.5
185.13257	9.7
187.14818	49.5
189.12759	5.9
189.16379	47.4
191.14293	9.9
191.17944	17.2
193.15906	3.4
197.13222	6.5
199.14803	20.5
200.15186	3.2
201.12794	5.3
201.16353	57.0
203.14294	15.5
203.17941	66.9
205.15868	58.6
205.19566	11.5
207.17584	3.6
211.14781	6.6
213.16379	21.4
215.17929	24.9
217.15889	18.7
219.17349	19.0
221.15302	3.1
221.18877	6.3
227.17908	4.6
229.15845	12.7
229.19408	4.2
231.17450	9.3
233.19061	8.0
235.16890	8.5
237.07330	3.6
237.16426	3.5
241.19478	4.9
247.16948	11.9
249.18451	15.7
253.19511	6.6
256.63147	3.5
261.18521	13.7
311.23672	9.5
349.28766	4.7
357.27625	4.3
367.26080	3.4
389.31982	14.0
395.29135	5.0
407.33072	55.6
408.33624	6.9
425.33908	3.8
435.32617	30.0
453.33813	83.5
454.33914	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	453.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80388	2.5
53.03947	6.2
55.01872	6.7
55.05512	22.9
57.03429	6.0
57.07063	6.9
59.04992	3.3
62.07316	2.4
65.03938	4.9
67.05505	25.8
69.03431	15.0
69.07066	23.7
71.04977	5.9
71.18018	5.6
76.50622	3.1
79.05495	27.8
81.03413	11.0
81.07054	58.4
82.06582	3.4
82.07410	4.7
83.04970	32.5
83.08601	14.3
84.04504	3.1
85.02899	9.9
85.06539	8.1
91.05481	44.0
93.07043	57.8
95.04981	13.5
95.07996	3.9
95.08607	59.1
97.02912	4.6
97.06536	11.4
97.10162	3.9
99.04441	5.0
99.08101	4.3
100.11250	8.3
103.05371	3.1
105.07030	73.3
107.04958	8.5
107.08592	71.3
108.08907	3.5
109.02868	4.3
109.06528	16.4
109.10150	36.6
111.04434	6.7
111.08103	8.9
112.28603	2.9
112.42357	2.6
115.05450	5.9
117.03314	3.4
117.07017	15.5
118.07894	2.5
119.04906	4.9
119.08582	100.0
119.64571	2.8
121.02844	4.0
121.06490	13.6
121.10143	56.2
123.04428	48.0
123.08068	13.3
123.11697	19.5
124.03944	4.9
125.05974	3.0
125.09619	10.2
127.03923	7.2
127.11180	7.6
127.91103	2.8
128.06174	3.2
128.11510	5.6
129.06992	13.6
130.07785	4.2
131.08572	54.8
133.06490	3.0
133.10127	62.2
135.04431	9.9
135.08038	10.9
135.11691	20.6
137.02324	19.3
137.05994	10.4
137.09624	6.6
137.13266	3.2
139.03899	6.9
141.06937	4.0
142.07790	12.5
143.08566	31.1
144.09358	3.2
145.02840	3.9
145.10109	59.5
147.04436	11.4
147.08025	9.9
147.11688	40.3
149.05939	3.6
149.09618	14.7
149.13287	8.3
151.11176	11.0
153.01840	5.1
155.08568	8.1
156.09351	13.4
157.10139	35.8
158.10866	4.6
159.08032	5.3
159.11688	50.5
161.05914	5.7
161.09625	12.8
161.13245	27.9
163.03879	24.5
163.07529	5.2
163.11205	10.2
163.14828	7.0
165.05493	11.2
165.07156	3.0
165.09134	3.4
165.12788	4.9
167.07143	3.4
167.08534	4.6
169.10091	14.1
170.10806	3.8
171.11690	27.1
172.12419	3.1
173.09607	3.3
173.13246	44.6
175.03828	3.3
175.07478	4.7
175.11200	10.5
175.14761	20.3
177.05463	6.6
177.12723	4.2
177.16350	17.7
182.15338	4.7
183.11694	14.0
184.12476	4.1
185.13266	22.8
187.11183	7.1
187.14815	46.7
189.05435	3.4
189.12726	27.6
189.16371	12.3
191.03392	39.1
191.14334	11.5
191.17912	3.0
192.03664	3.7
193.10220	4.7
195.11717	6.5
197.13232	15.5
199.11160	5.7
199.14825	23.7
201.12772	4.0
201.16431	19.8
202.16743	2.7
203.03427	3.9
203.14336	20.7
203.17746	3.7
205.15883	42.7
209.13339	4.3
210.14932	5.4
211.14859	4.2
213.12756	9.4
213.16373	9.2
215.14407	15.4
215.17987	6.5
217.15881	11.9
219.17374	17.5
223.14897	5.1
225.16377	6.4
227.17871	5.9
229.15805	5.8
231.13759	6.0
233.15363	3.8
235.13367	13.0
237.16431	4.7
241.15738	3.2
243.17567	3.7
245.18910	3.4
251.18079	3.9
253.19418	3.2
255.17462	6.6
261.14728	4.3
267.17337	3.3
273.18607	8.2
291.15857	8.8
291.19373	6.6
301.07022	14.1
313.06836	4.6
317.06500	3.1
343.08054	14.9
389.28372	13.3
391.29901	6.3
407.29324	21.7
409.30826	5.5
411.10818	5.3
417.27573	4.1
423.28891	6.7
435.28659	25.6
453.00848	4.4
453.20557	13.8
453.29501	29.3
453.35303	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	453.1387
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02375	1.1
53.03930	1.0
53.39649	1.0
55.01873	10.8
57.03439	2.4
60.51168	1.0
61.02927	2.8
65.03946	2.1
67.05520	2.1
68.99790	2.8
69.03439	7.0
70.06598	1.3
71.04993	1.1
71.50904	1.6
77.31683	0.9
79.01845	2.3
79.05479	1.1
81.03419	2.5
83.01360	10.1
83.04975	1.7
83.93538	0.9
85.02910	21.7
86.12956	1.0
87.04456	1.1
91.05492	1.9
93.03377	1.7
95.04965	3.5
95.08638	1.3
97.02888	7.1
99.04439	1.5
107.04926	1.7
109.02879	2.4
111.00795	2.5
111.04440	3.5
119.04945	5.2
123.04428	67.4
125.02353	1.8
127.03907	5.4
130.44368	0.9
131.04930	1.0
135.04451	4.3
137.02357	1.8
137.05952	1.7
139.00269	6.4
139.03905	100.0
140.04271	1.0
145.04951	3.3
145.06464	1.3
147.04411	17.5
151.03893	6.2
153.01833	43.2
153.05487	3.1
154.02162	2.2
157.01337	2.9
161.05969	4.3
163.03923	10.9
163.07520	1.0
165.05481	16.8
168.08478	0.9
169.05043	1.3
174.37244	1.1
179.03401	1.1
179.07022	1.5
181.04973	2.7
185.00812	6.8
186.01398	1.4
187.84702	0.9
189.05444	2.5
191.03328	1.4
195.04341	1.5
205.05000	1.8
207.06573	2.0
239.03372	1.9
247.06044	1.9
251.03372	1.4
257.00784	2.0
259.06232	1.0
265.06931	1.3
267.02869	2.7
273.00354	1.3
273.07550	3.3
286.01166	1.3
287.01904	7.8
291.08572	13.3
295.02618	1.8
303.01385	1.7
305.00732	6.8
307.02423	4.3
312.99829	1.8
313.06699	1.1
323.01920	4.1
331.01047	1.1
335.01636	1.3
338.59933	1.1
351.01437	1.3
363.01459	8.4
379.00824	10.6
391.00665	3.8
397.01877	1.7
407.00348	16.3
408.00784	1.7
409.02039	1.3
413.22644	1.0
423.00543	1.3
434.99860	20.9
435.32501	1.1
436.00143	3.3
453.00879	34.6
453.13736	2.0
454.01413	5.1
471.02042	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	453.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01864	3.2
55.05506	0.8
57.17127	0.6
59.04973	0.8
65.03931	0.7
67.05480	2.1
68.06639	0.5
68.99784	2.0
69.03409	2.0
69.59583	0.8
69.59984	3.1
71.04978	0.9
71.37176	0.5
79.05482	3.2
81.03403	2.0
81.07057	1.4
83.04957	0.7
85.02882	1.7
89.03888	1.6
91.05473	3.7
93.03383	0.9
93.07018	1.5
95.04969	3.6
95.08582	1.2
97.02866	0.8
97.06529	0.6
98.20905	1.2
98.21499	1.2
100.11215	1.1
103.99864	0.6
105.03397	1.2
105.07027	1.3
107.04954	5.8
107.08574	0.7
109.02870	1.8
109.06478	0.9
109.10130	1.3
111.04436	1.8
115.05422	1.7
117.03358	1.9
119.04929	8.1
119.08578	1.0
121.02831	1.3
121.10092	0.6
122.73695	0.5
123.04423	65.9
123.08057	1.8
127.03892	1.1
131.04884	2.4
133.06496	1.4
135.04414	14.0
135.05431	0.8
137.02339	29.9
137.03404	1.5
137.05975	2.1
137.09544	0.7
139.03883	4.9
141.01837	0.6
142.92300	0.7
143.04897	3.2
145.02814	3.0
145.10013	0.6
147.04402	25.9
149.05928	0.9
149.09564	0.6
151.03941	1.3
153.01825	2.3
157.03951	0.6
159.04440	0.7
161.02344	1.1
161.05963	7.3
163.03900	34.0
164.04228	0.5
165.01903	3.5
165.04176	1.1
165.05476	14.0
165.08990	0.7
167.07066	0.7
169.06480	0.7
171.04387	0.8
175.03876	3.8
177.01910	1.0
177.05464	2.4
179.03391	3.9
179.07030	3.9
180.07515	0.7
183.02904	2.1
183.10187	1.2
184.10530	0.9
185.05992	1.2
187.03928	2.9
189.01863	0.9
189.05458	1.8
191.03381	100.0
192.03674	2.9
197.06024	0.9
201.05344	0.8
203.03375	8.1
203.07091	1.0
205.04942	2.8
207.02898	1.7
207.06519	14.8
212.84146	0.7
213.05450	1.8
215.03459	0.7
215.07056	0.7
217.04868	1.2
221.04417	4.6
229.04796	0.9
233.04387	2.4
241.04945	1.3
245.11617	0.6
247.06018	2.4
249.07574	1.1
259.06000	7.0
271.06003	6.0
273.07474	0.7
283.05911	1.2
289.07162	1.5
291.08627	1.3
291.13202	2.6
301.07053	22.5
305.05484	0.6
306.05933	0.7
307.05780	0.7
313.07047	16.9
317.06512	6.1
325.07068	1.8
343.08105	43.2
344.08359	1.5
380.51288	0.6
393.09729	0.9
411.10709	8.6
435.10587	3.8
440.10486	0.6
453.01151	0.6
453.11642	2.9
453.20947	1.9
453.34244	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.8
55.05503	16.5
57.03429	7.3
59.04996	19.8
67.05502	18.8
69.03420	15.2
69.07056	18.8
71.04993	7.0
71.50822	3.3
71.51233	4.7
79.05483	16.3
81.03400	9.1
81.07043	38.1
83.04967	11.3
83.08595	6.7
84.04512	4.7
85.02905	21.5
85.06540	8.0
91.05495	17.9
93.03390	6.5
93.07051	29.6
95.04966	15.7
95.08612	23.8
97.02873	10.9
97.06522	16.2
97.10228	3.9
100.11234	3.7
105.07020	23.5
107.04938	12.2
107.08595	23.1
109.02879	15.8
109.10149	32.0
110.10490	4.1
111.04390	8.4
111.11701	7.3
111.76964	3.1
117.07037	3.8
119.04937	14.2
119.08582	25.3
119.36050	3.4
120.04465	9.4
121.02861	6.0
121.06458	9.1
121.10130	30.4
123.04426	77.4
123.08069	26.3
123.11697	14.5
125.09660	7.4
127.03915	8.7
127.11191	33.3
131.04935	6.4
131.08534	6.4
133.06491	4.3
133.10126	13.1
135.04393	19.7
135.08023	4.4
135.11668	5.6
136.07547	4.0
137.02341	48.8
137.05959	9.8
137.09619	13.1
137.13237	8.9
138.05453	7.0
139.03911	13.6
139.11154	8.4
141.09105	5.0
142.08665	3.7
145.02911	4.4
145.06531	4.7
145.10083	10.6
147.04425	33.8
147.11690	8.3
148.04764	4.7
149.09608	9.9
149.13202	3.6
151.07472	3.7
151.11208	3.9
153.01859	7.6
157.10141	5.4
157.12192	11.6
159.11729	13.4
161.06030	10.9
161.13287	15.6
163.03899	39.1
163.11159	6.4
165.05486	14.6
165.09132	10.3
169.01309	5.0
169.12238	3.9
172.12990	3.5
173.13315	4.6
175.14693	4.2
177.05489	6.7
177.16431	8.9
183.10141	25.9
187.14861	4.2
189.05360	4.0
191.03378	100.0
201.11128	5.8
201.16307	10.2
203.03435	5.8
207.06458	9.9
219.17516	6.9
259.06082	9.1
271.05905	3.7
273.18408	4.3
289.06927	6.2
290.07315	7.0
299.05414	4.4
301.07031	43.9
301.10391	5.5
313.07083	16.2
317.06485	5.9
343.08139	43.9
411.10986	7.9
446.75903	3.9
452.08862	6.9
452.16653	5.2
453.11722	7.4
453.17523	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	452.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.05511	4.6
57.03418	5.7
59.04719	4.4
59.04998	50.1
61.02910	5.2
65.03936	7.4
67.05510	20.9
67.05842	3.4
69.03415	19.1
69.07059	11.6
71.04978	11.3
71.52007	4.2
73.02908	5.2
79.05479	22.2
81.03402	14.9
81.07042	22.7
83.04969	5.4
84.04462	4.0
85.02892	21.1
86.09698	10.1
87.04499	4.7
91.05464	17.1
93.03402	4.7
93.07035	63.4
95.04955	16.3
95.08606	53.4
97.02886	8.9
97.06533	12.2
99.04475	6.0
105.07022	17.6
107.04937	12.6
107.08584	12.1
109.02876	41.2
109.10145	54.7
111.04387	9.0
111.08109	7.8
119.04922	6.4
119.08587	33.6
120.04456	8.5
120.08077	4.6
121.02821	6.1
121.06567	3.3
121.10145	69.1
122.10500	3.8
123.04414	37.1
123.08063	65.2
124.07476	4.0
125.06002	6.7
125.09580	4.5
127.03938	8.2
131.08539	4.7
133.10091	7.2
135.04453	11.6
137.02335	18.2
137.05969	4.6
137.09599	34.7
137.13043	4.1
138.05482	7.2
139.03958	6.2
139.11208	10.6
141.09129	24.2
145.04922	3.7
147.04378	10.4
147.08003	9.0
149.06010	4.9
149.09602	15.7
151.11142	5.5
153.01819	10.0
161.06004	6.3
163.03883	21.9
165.05392	6.2
165.09093	42.7
167.07059	9.3
167.10670	11.8
169.11957	4.3
182.58031	4.0
183.10164	100.0
187.13179	3.9
189.05603	4.9
189.09065	4.1
191.03413	39.2
201.11212	8.8
207.06541	3.9
243.14867	5.4
244.15417	9.4
255.15923	3.9
258.01053	7.5
259.01593	6.1
260.01559	4.6
271.14465	9.2
272.14728	17.1
284.06427	4.4
286.00665	12.3
287.00763	6.1
288.01160	13.5
288.05896	10.4
289.06024	4.8
289.15439	5.6
290.06387	7.0
290.10229	12.1
290.15796	9.6
293.14087	3.9
301.06912	9.3
311.14841	15.6
313.06750	9.2
318.03165	17.0
319.03433	25.9
320.03906	42.8
327.14551	4.1
343.08069	14.1
345.15524	17.9
411.10635	6.2
452.16800	5.4
453.00510	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	451.3204
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
51.17447	1.3
53.03920	1.3
53.47271	1.1
53.67082	1.2
54.32626	1.1
55.05497	5.2
57.07055	2.1
61.85434	1.2
67.05503	7.0
69.07064	6.8
69.43999	8.7
79.05473	3.9
81.07043	14.1
91.05463	9.3
93.07030	11.1
95.08601	15.4
105.07033	22.0
107.08578	13.9
109.10141	7.8
111.08065	1.9
117.07001	3.1
119.08569	25.3
121.10126	10.9
123.11711	2.3
128.06201	2.1
129.07018	3.7
131.08556	9.9
133.10103	12.2
134.76472	1.4
135.08115	1.7
135.11694	4.3
141.07010	2.0
142.07735	3.3
143.08505	10.3
144.09248	1.4
144.22566	1.3
145.10118	17.4
146.95779	1.2
147.11670	9.8
149.13232	3.0
153.09146	2.4
155.08545	5.9
156.09300	4.0
157.10129	14.5
159.11676	14.9
161.13239	7.2
163.14821	5.0
168.09372	3.3
169.10133	19.7
170.10947	2.3
171.11679	11.0
173.13237	11.8
175.14807	34.2
177.16368	11.2
181.10136	5.4
182.10925	4.8
183.11723	10.8
184.12527	1.9
185.13206	8.1
187.14819	6.4
189.16348	6.8
193.10239	1.6
193.15952	1.7
195.11708	5.4
196.12431	6.0
197.13208	9.6
198.14030	2.1
199.14845	17.4
201.16344	6.1
203.17987	2.6
207.11674	2.0
209.13243	6.0
211.14821	25.0
212.15294	1.5
213.16350	12.6
215.14319	2.2
215.17827	1.6
217.15903	2.3
221.13274	3.7
221.15344	1.8
223.14818	4.1
225.16409	4.1
227.17834	2.7
229.15822	8.5
229.19331	1.4
231.17424	5.1
233.13380	1.7
235.14873	3.6
237.16389	3.4
239.17897	2.2
241.19443	2.1
243.17532	2.2
249.16417	3.7
251.18030	2.1
253.19539	1.4
261.16254	1.5
263.17902	2.9
265.19623	2.3
267.21136	1.7
277.19733	2.2
279.21042	2.9
289.19498	1.5
291.21011	1.5
303.21060	1.7
305.22638	2.1
317.22681	3.2
319.24255	3.8
321.25787	4.4
331.24286	4.6
345.25729	1.4
347.27060	2.0
351.23398	2.0
365.25031	2.7
366.25644	2.6
377.24753	7.1
379.26443	1.6
387.30527	9.5
405.31430	16.4
421.31055	5.8
433.25134	2.3
433.31000	46.3
434.31424	3.3
451.32037	100.0
452.32443	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	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03946	2.9
55.01865	3.5
55.05506	19.0
55.71049	2.1
57.07076	5.4
62.32567	2.1
63.50106	2.0
65.03928	3.8
67.05494	23.2
69.03431	3.8
69.07067	18.1
70.64412	2.8
70.64746	4.3
71.05039	2.5
79.05492	23.7
81.03410	3.4
81.07054	44.9
83.04977	18.2
83.08604	13.3
91.05463	27.1
93.07036	41.0
95.04986	7.7
95.08601	56.9
97.06506	2.8
97.10185	6.8
105.07030	63.1
107.04964	3.1
107.08588	69.6
109.06530	4.7
109.10151	35.0
111.08095	8.4
114.05522	2.2
117.07049	9.3
117.18123	2.3
119.08578	100.0
121.06517	4.5
121.10137	31.5
123.08081	4.6
123.11722	12.7
125.09637	5.4
128.06200	4.6
129.07028	8.8
130.07768	2.9
131.08559	36.5
133.10120	48.4
135.08070	3.6
135.11679	16.5
137.09659	6.6
137.13245	3.5
141.06981	4.4
142.07835	6.9
143.08546	21.2
144.09331	2.9
145.10118	72.5
147.07986	4.4
147.11684	37.4
149.09659	4.1
149.13246	15.3
151.11168	3.2
153.09097	3.1
155.08611	4.0
156.09328	6.1
156.22273	2.9
157.10132	31.4
157.11336	3.3
158.10875	3.6
159.08099	3.3
159.11690	42.7
161.09665	7.5
161.13243	18.8
163.07550	3.8
163.11174	5.8
163.14818	17.6
165.12782	7.2
169.10121	13.7
170.10962	6.7
171.11687	22.4
172.12274	3.6
173.13258	28.5
175.14822	42.1
177.12802	5.6
177.16338	14.0
181.04932	2.6
181.10159	3.1
182.10927	4.6
183.11725	14.3
184.12457	3.5
185.13245	16.9
187.11230	2.6
187.14801	55.6
189.12781	3.4
189.16386	32.3
189.17955	3.3
191.14404	5.2
191.17906	3.9
193.10324	2.4
193.15897	2.9
195.11700	6.0
197.13266	16.1
198.13963	2.4
199.14821	34.7
201.16360	31.3
203.14401	5.8
203.17932	13.2
205.15981	5.7
207.11864	2.7
209.13339	4.8
211.14813	14.1
213.12912	3.7
213.16379	24.3
215.14354	7.3
215.18001	9.4
217.15846	20.3
219.13930	2.3
219.17371	2.8
221.13359	2.9
223.15010	4.2
225.16451	8.1
227.17975	7.6
229.15952	10.7
229.19646	4.1
231.17471	9.9
233.15466	6.3
235.16939	3.8
237.16370	3.0
239.18028	8.1
241.19492	25.9
243.17455	3.2
243.21091	6.7
247.17049	9.0
251.17967	4.5
253.19659	9.5
255.21199	4.5
257.19208	3.2
259.17059	3.3
263.17877	3.6
265.19580	4.5
267.21124	8.4
281.19189	2.8
281.22592	3.4
285.18521	3.9
291.21210	3.4
297.22339	2.6
299.20432	5.3
309.22156	3.7
349.25375	2.6
377.32312	5.0
387.30499	9.5
393.27908	4.5
405.31525	70.7
407.33209	8.5
421.30957	3.8
423.32700	4.6
433.31213	19.6
439.04156	2.9
451.27585	4.2
451.32172	90.7
452.32535	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	451.3204
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.36146	3.0
51.11911	2.4
53.03937	2.7
55.05501	16.2
57.07062	2.9
64.72963	2.5
67.05489	21.7
68.17339	2.4
68.66143	2.1
69.07066	15.8
69.72263	6.7
69.72690	8.2
70.40367	2.3
72.37840	2.2
72.91974	2.2
77.38192	2.2
79.05486	17.7
79.87944	2.4
81.07053	39.4
83.04980	24.9
83.08614	6.1
83.78094	2.4
91.05470	26.8
93.07042	44.3
95.04965	6.4
95.08603	49.0
96.79438	2.7
97.06507	4.7
97.10159	5.0
105.07030	55.4
107.08594	62.0
109.06509	8.3
109.10138	27.1
111.08067	8.5
117.07027	9.4
117.13331	2.4
119.08582	100.0
121.10138	41.7
123.08086	5.0
123.11713	10.1
125.09643	6.0
128.06236	4.6
129.07014	10.2
131.08578	31.7
133.10120	48.9
135.07983	5.0
135.11676	14.0
137.09618	3.8
137.13196	3.1
141.07002	3.4
142.07774	5.7
143.08545	20.0
145.10117	57.0
145.11160	5.0
147.11674	27.1
149.09534	3.1
149.13268	13.5
155.08521	8.8
156.09285	6.9
157.10114	32.3
158.10901	4.2
159.11688	34.9
161.09656	3.3
161.13260	17.7
163.07635	3.5
163.14835	17.4
165.12764	8.7
169.10121	12.4
170.10925	5.3
171.11682	29.0
173.13234	31.2
175.11160	4.4
175.14787	39.2
177.16394	10.2
181.05000	2.7
181.10114	3.8
183.11662	14.9
184.12450	5.4
185.13206	14.4
187.14807	50.3
189.16388	26.1
191.14288	3.9
193.10147	2.4
193.15816	2.9
195.11642	3.5
196.07114	3.1
196.12335	2.6
197.13269	9.5
199.14819	31.5
201.16367	39.5
203.14264	5.0
203.17995	11.4
205.15865	11.9
209.13301	5.3
211.14874	9.0
213.16414	23.3
214.17107	3.2
215.14357	8.2
215.17961	10.9
217.15822	15.2
221.15422	2.8
223.14804	3.6
225.16394	9.3
227.17952	8.9
229.15831	7.5
229.19594	2.7
231.17497	7.0
233.15500	4.2
239.17943	14.8
241.19489	23.8
243.17517	3.9
243.21124	6.8
245.15434	4.6
247.16954	5.9
249.16568	3.4
251.18053	3.0
253.19568	10.3
255.21156	4.9
257.18939	2.8
259.16925	3.4
265.19473	3.6
267.21136	5.7
279.21069	3.2
281.22675	2.6
285.18448	4.0
293.22681	3.5
317.22537	2.7
335.23785	3.4
339.23175	3.0
349.25317	3.3
365.24890	2.7
372.74246	3.1
377.31924	3.1
387.30405	13.3
393.27606	6.2
405.31503	73.5
406.31870	3.9
407.33063	13.5
421.30902	4.2
423.32281	2.9
433.30832	17.1
451.32120	85.0
452.32053	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	451.3203
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
52.92684	1.0
53.03945	2.0
55.05511	8.4
56.22320	1.1
57.07069	2.2
57.16164	0.9
58.11382	0.9
67.05500	12.3
67.75122	1.2
69.03423	3.2
69.07062	13.0
69.48425	7.1
72.08110	0.9
77.03941	1.2
79.05495	8.1
81.03404	3.0
81.07051	24.2
83.08605	4.3
84.53298	1.0
85.02859	1.1
85.06532	1.7
91.05474	9.6
93.07034	16.7
95.04939	2.1
95.08602	26.3
97.06531	2.2
97.10152	4.1
98.21680	0.9
99.04440	1.1
99.08075	1.8
105.07027	26.2
107.08593	20.3
109.02902	1.0
109.06490	2.4
109.10155	11.0
111.08048	2.8
111.11690	1.5
115.05445	2.0
117.06997	5.1
119.08576	35.8
121.10139	16.3
123.08053	1.3
123.11684	5.6
127.03887	1.6
128.06206	2.0
129.07021	3.4
131.08565	14.2
133.06438	1.0
133.10123	15.2
135.08075	1.5
135.11693	6.4
137.05959	1.2
139.07506	1.4
141.06998	1.9
142.07822	5.0
143.08540	10.8
144.09348	2.0
145.10107	19.8
147.11684	11.2
149.09595	1.5
149.13228	5.5
150.09138	4.4
153.09047	1.2
154.07761	1.3
155.08563	6.1
156.09341	4.3
157.10110	19.2
158.10912	2.1
159.11694	20.2
161.09665	2.0
161.13266	9.4
163.11058	2.2
163.14804	7.3
165.07025	1.6
165.12756	1.3
167.08556	4.1
168.09322	2.0
169.10114	19.1
170.10854	2.3
171.11674	13.9
173.09525	1.2
173.13254	13.6
175.11307	1.4
175.14821	38.9
177.16396	11.3
179.08546	1.1
181.10144	6.4
181.11969	0.9
182.10899	4.6
183.11702	13.0
184.12469	2.8
185.13287	8.4
187.14795	7.4
189.12730	1.2
189.16394	6.5
191.18092	1.1
193.10179	2.4
193.15836	2.6
194.10999	1.3
195.11694	6.8
196.12448	6.4
197.13249	11.6
199.14833	21.3
201.16362	7.9
203.14317	0.9
203.17984	2.1
207.11714	3.4
208.12453	2.8
209.13289	9.2
210.13885	1.8
211.14810	29.1
212.15413	1.5
213.16353	13.1
215.14369	2.1
215.17969	2.5
217.15889	3.1
219.11694	1.8
221.13263	3.2
221.15295	1.9
223.14825	6.6
225.16328	8.3
227.14336	1.1
227.17917	3.1
229.15860	9.6
231.17494	6.0
235.14819	2.8
236.15485	1.6
237.16426	3.5
239.18028	3.0
241.15962	2.1
241.19441	1.8
243.17311	1.5
249.16438	3.7
251.18030	2.2
253.19731	1.4
259.17047	1.5
261.16318	1.7
263.17978	3.1
265.19431	1.8
268.36447	1.2
277.19525	2.8
279.21124	2.8
289.19556	2.0
291.21112	2.9
303.13385	2.9
303.21225	1.4
305.22580	2.2
317.22711	3.2
319.24164	2.8
321.25739	3.2
331.24304	4.6
332.24963	1.6
345.25784	2.7
347.27283	1.8
351.23148	2.7
365.24725	4.0
366.25342	3.1
377.24796	5.2
379.26230	1.1
387.30518	9.4
405.26688	1.5
405.31512	15.8
421.30902	6.3
423.32733	1.8
433.30988	48.9
434.31424	2.2
451.32068	100.0
452.32376	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	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03939	1.1
55.05511	5.6
55.05731	1.1
57.03431	1.2
57.07069	0.9
67.05504	9.7
69.07063	8.9
69.17199	12.3
69.17492	1.0
71.04984	1.2
72.29006	1.1
79.05496	7.2
81.07056	17.4
83.04964	1.1
83.08604	3.4
91.05476	8.5
93.07038	13.6
95.04963	1.6
95.08611	18.8
97.06531	1.5
97.10156	2.3
105.07031	22.6
107.04965	1.5
107.08585	18.9
109.06523	2.0
109.10168	9.2
111.08088	1.5
115.05463	1.5
117.07015	4.7
119.08581	27.9
121.06497	1.6
121.10142	10.4
123.08040	1.7
123.11705	2.9
128.06232	1.4
129.06975	2.8
131.08565	12.3
133.10143	16.0
135.08078	2.1
135.11748	2.4
137.09631	1.5
139.07513	1.1
139.11208	1.0
141.07001	1.8
142.07782	4.0
143.08557	9.7
144.09280	1.8
145.10126	21.0
147.08124	1.1
147.11674	9.1
149.09616	3.1
149.13261	3.0
151.11172	1.0
155.08572	4.2
156.09390	3.2
157.10130	15.1
158.10890	2.4
159.11691	14.9
161.09561	2.1
161.13284	7.9
163.14862	4.9
167.08577	2.0
168.09268	1.8
169.10115	8.6
170.10880	2.4
171.11700	11.7
173.13269	11.4
175.14815	30.7
176.15091	1.2
177.12776	1.0
177.16383	7.7
181.04962	2.2
181.10083	2.3
182.10872	2.7
183.11749	9.9
184.12563	2.1
185.13303	6.6
187.11197	1.0
187.14801	10.7
189.16348	6.9
191.14392	1.3
193.10182	1.7
193.15965	1.8
195.11708	4.1
196.12480	2.2
197.13268	7.3
198.14136	2.0
199.14792	12.9
201.16380	7.3
201.18016	1.2
203.14401	1.2
203.17960	2.2
209.13246	4.7
211.14847	9.1
212.15540	1.0
213.16379	9.9
215.14276	2.6
215.17992	3.9
217.15880	4.1
221.13284	2.1
221.15340	2.2
222.14420	1.1
223.14891	4.7
225.16422	4.5
227.17923	2.0
229.15869	7.2
229.19460	1.7
231.17383	5.7
235.14711	2.3
237.16455	2.0
239.18013	2.9
241.19449	1.6
243.17445	1.8
247.14792	1.3
249.16295	1.8
251.17999	2.1
253.19530	1.8
257.18985	1.3
263.17877	1.3
265.19547	1.9
273.18561	1.3
275.17816	2.1
277.19516	1.3
279.21432	1.4
281.19174	1.1
291.21082	2.2
304.21451	1.2
317.22592	1.9
319.24399	1.1
331.24127	1.6
333.25848	1.5
345.25726	2.9
351.22763	1.2
363.23227	1.4
365.24811	3.1
377.24759	1.7
387.30450	5.2
405.31619	17.0
421.31107	2.3
423.32446	6.5
433.30994	32.0
434.31525	1.3
446.09915	1.1
451.32098	100.0
452.32330	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	451.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01860	7.5
55.05509	31.8
57.03426	6.1
57.07056	9.4
59.05019	2.4
60.68851	2.4
61.02915	2.7
67.05507	37.7
69.03431	37.8
69.06733	3.5
69.07069	42.5
69.29960	11.9
69.30384	10.4
70.66377	2.2
71.04985	8.0
79.05499	27.8
81.03417	28.8
81.07059	100.0
82.07370	2.5
83.04977	9.9
83.08613	18.4
85.02914	15.8
85.06546	14.5
91.05476	28.0
93.07043	56.5
95.04951	20.6
95.08607	98.1
96.88586	2.2
97.02887	10.9
97.06535	14.3
97.10161	21.1
99.04449	11.0
99.08080	7.3
100.10077	2.7
105.07037	45.9
107.04939	6.8
107.08588	73.5
109.02867	10.3
109.06496	11.4
109.10158	56.8
111.04418	9.1
111.08095	15.4
111.11685	7.6
115.03922	3.4
115.05465	3.1
117.07021	7.8
119.08573	43.9
121.06474	6.2
121.10143	46.4
123.04393	5.9
123.08064	8.9
123.11721	29.2
125.06007	3.0
125.09631	11.9
127.03931	14.0
128.06236	3.1
129.05490	4.5
131.08572	19.5
133.06488	4.2
133.10147	34.8
135.04460	3.8
135.08058	7.1
135.11667	27.8
137.05992	11.7
137.09625	6.5
137.13263	9.4
139.03889	5.4
139.11162	8.7
141.07059	2.4
142.07771	2.9
143.08614	11.7
143.10693	2.7
145.06451	4.5
145.10129	25.0
147.08064	5.8
147.11688	20.7
149.09612	6.9
149.13264	36.5
151.07567	3.7
151.11137	8.2
151.14783	5.9
153.09158	2.4
155.08592	5.4
157.10156	10.1
159.08037	5.9
159.11699	27.1
161.09636	5.6
161.13255	21.3
163.03951	2.8
163.07584	3.2
163.11156	7.1
163.14844	21.3
165.09099	4.7
165.12741	4.2
167.07094	2.7
169.10214	3.6
171.08023	3.5
171.11649	11.2
173.09668	5.4
173.13287	18.3
175.07591	3.7
175.11203	6.1
175.14857	16.8
177.09102	3.0
177.12727	6.4
177.16386	7.4
179.14317	3.3
183.11702	4.3
185.13248	9.7
187.11188	3.9
187.14786	12.7
189.12747	5.5
189.16405	11.4
191.10498	3.5
191.14297	6.4
191.17960	3.8
193.15836	4.5
195.11711	2.6
197.13257	6.7
199.14861	7.9
201.16408	9.8
203.14293	4.3
203.17941	5.7
205.15918	3.7
209.13347	2.9
211.14830	6.0
213.12740	3.3
213.16365	6.4
215.14308	5.0
215.17883	5.3
217.15868	5.1
223.14677	3.0
229.15837	3.3
231.17352	6.8
259.16959	2.9
263.14160	2.4
263.66949	2.3
269.22595	4.8
271.24139	5.3
281.15149	4.4
287.23615	16.8
289.25253	13.7
299.16476	6.9
305.24628	4.3
319.26312	3.2
369.27951	3.0
385.27164	3.1
387.92508	2.5
397.27426	13.1
405.31567	8.8
415.28290	18.2
433.29562	34.3
451.31064	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	451.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01862	8.4
55.05511	32.0
57.03424	5.8
57.07078	19.3
61.02903	6.6
67.05499	37.8
69.03427	32.6
69.07069	37.7
71.04975	13.6
71.52299	6.6
73.02897	5.8
79.05492	25.2
81.03396	14.7
81.06599	5.9
81.07051	71.8
82.98983	4.7
83.04978	35.7
83.08599	18.0
85.02904	58.3
91.03903	3.4
91.05470	27.3
93.07040	55.4
95.04959	9.6
95.07998	3.8
95.08607	64.9
97.02879	20.2
97.06520	5.6
97.10110	7.3
99.04468	3.7
101.06026	6.3
102.13050	3.4
105.04514	4.2
105.07024	69.3
106.14156	3.9
107.08590	61.8
109.02874	8.6
109.06493	5.7
109.10149	52.8
111.08074	5.5
117.01054	16.5
117.07048	8.2
119.08585	100.0
121.06488	5.9
121.10149	56.5
123.08070	9.5
123.11708	30.5
125.09666	5.3
127.03905	12.0
129.06975	6.4
131.08559	18.4
133.10107	45.6
134.83778	3.0
135.08083	8.4
135.11694	26.7
137.13243	11.7
142.07744	4.4
143.08536	11.2
145.04909	8.0
145.10129	37.8
147.02065	6.0
147.11678	79.1
149.13246	27.2
151.11156	4.3
153.12747	4.4
154.64780	3.5
155.08545	5.5
157.10107	14.0
159.11649	28.5
161.09645	4.0
161.13246	28.3
163.11182	7.4
163.14801	28.4
165.03128	11.6
165.12715	5.1
169.10107	10.5
171.11671	14.0
173.13248	22.7
175.01546	46.9
175.11118	4.1
175.14841	30.3
175.72134	3.3
177.16362	14.3
179.14261	4.8
179.17911	3.6
181.10144	5.3
183.11639	5.1
184.07246	3.9
185.13217	11.3
187.11159	4.5
187.14780	26.4
189.16380	19.6
191.17871	4.3
195.11740	3.7
197.13284	5.5
199.11052	4.9
199.14827	11.5
201.16386	17.4
203.17979	7.9
205.15866	4.3
211.14760	4.9
213.16350	11.2
215.14304	6.2
215.17921	15.7
227.04549	5.2
227.17989	4.5
229.15872	7.1
229.19594	5.4
231.17403	3.8
241.19492	6.2
253.19339	4.2
271.24213	73.1
272.24487	4.2
273.25677	8.4
275.06647	5.5
289.25131	13.5
311.06860	4.3
325.25757	3.6
331.13046	28.6
367.05804	8.5
377.08777	6.3
387.19452	18.7
387.30338	4.1
395.05481	7.2
395.10107	30.0
405.31650	19.8
415.27972	4.0
433.15720	17.4
433.30234	14.0
451.04419	27.5
451.16672	26.2
451.32355	53.0
451.38519	4.4
452.04471	4.8
452.32556	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	451.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05503	0.7
55.23740	0.3
65.03919	0.4
67.05511	0.6
69.03422	1.2
69.07047	0.4
69.36705	2.9
79.05473	1.0
80.05019	0.5
81.03421	0.4
81.05804	0.6
81.07056	0.8
85.02893	2.7
89.75872	0.3
91.05475	2.6
93.07030	1.0
94.06565	1.0
95.04944	0.6
95.08610	0.5
96.08110	1.0
97.02890	1.0
98.20737	0.4
103.05413	0.5
105.06976	0.5
106.06547	1.7
107.08611	0.5
108.08098	0.5
109.02902	0.6
111.04464	0.4
117.06974	0.4
118.06522	2.3
119.08570	0.7
120.08098	12.7
120.27570	0.4
121.02841	0.5
122.06020	0.4
122.09667	0.7
123.04432	0.5
124.07581	6.7
124.08403	0.6
126.09131	0.9
127.03909	1.1
134.06010	5.0
135.04413	0.7
136.07564	2.8
137.05994	0.7
138.05473	1.1
138.09099	0.4
139.03949	0.4
143.08586	0.4
146.05972	2.9
147.04350	0.8
147.06796	2.3
148.07571	10.9
150.09100	0.8
151.03938	0.4
152.07054	0.9
153.01767	0.8
163.03860	0.9
164.07063	58.2
165.07524	1.2
166.08615	2.1
167.06853	0.3
180.06549	0.5
200.10696	0.5
207.06444	0.4
214.11118	0.4
215.15450	1.9
216.10217	1.6
225.13939	0.4
226.12262	0.8
228.10260	0.6
229.13399	1.0
232.09773	0.5
243.14928	7.6
245.16492	3.1
253.13370	1.2
254.11723	0.9
271.14395	23.7
275.11578	0.4
289.15451	100.0
290.15717	2.6
305.05710	0.8
379.18021	0.3
451.15564	0.8
451.20828	1.2
451.32834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
54.18394	2.7
55.01863	6.3
57.03421	6.0
61.49287	2.5
65.03935	4.3
67.05488	10.8
67.25321	2.5
69.03423	7.4
69.07043	4.6
70.06575	10.6
70.30959	12.7
71.92754	2.6
79.05473	11.7
81.03390	7.1
81.07051	9.2
83.04977	7.5
85.02898	7.0
85.06564	3.7
91.05478	17.3
93.03397	4.0
93.07056	12.6
95.04962	38.3
95.08595	4.4
97.02873	6.1
97.06537	7.5
99.08066	3.1
99.96818	2.5
103.05477	6.4
105.07018	9.1
107.04943	18.2
107.08575	6.9
109.02887	6.4
109.10156	3.5
111.04420	9.7
119.04936	4.7
119.08587	9.1
120.08134	4.8
121.06491	17.1
121.10124	10.1
123.04413	34.3
124.05254	4.4
124.07542	3.7
125.05991	3.4
127.03863	2.9
128.06244	5.4
129.07027	16.5
131.04874	6.4
131.08589	7.3
133.06488	4.8
133.10120	3.2
134.03644	3.2
135.04399	14.4
135.08025	4.5
136.07582	11.1
137.02322	7.4
137.05952	19.2
138.09105	4.8
139.03922	8.5
139.11220	3.0
140.04655	17.8
141.06853	3.6
143.08562	6.6
147.04404	63.1
147.08055	16.9
149.05951	15.9
149.09605	5.0
151.03886	3.9
151.07520	4.9
152.04787	3.0
153.05457	12.0
155.07051	27.7
157.06497	9.2
160.05205	8.2
161.05975	31.6
161.07146	4.3
163.03880	13.2
163.07562	6.4
164.07065	16.6
165.05487	9.0
167.07036	100.0
167.08466	8.0
167.10704	5.6
173.05995	5.5
173.09561	2.8
175.03876	3.4
175.07542	70.5
179.03371	2.9
179.07065	5.1
180.07832	9.2
181.04962	4.5
181.06454	4.5
181.08595	48.1
183.08060	3.1
187.07472	5.0
189.09088	39.1
191.03535	3.1
191.08342	5.3
193.06958	3.2
193.08607	16.5
194.07216	2.7
195.08012	8.3
205.08585	11.0
211.07475	5.6
213.09018	15.0
215.06993	5.1
217.08623	3.7
219.08043	5.2
221.06003	3.8
223.07526	6.9
225.09042	4.2
227.06929	3.2
229.15651	3.8
231.10170	4.8
237.44084	2.5
239.06924	5.2
241.08614	5.3
243.10178	2.9
243.14880	8.0
249.11182	5.2
251.10680	3.2
253.08412	3.4
259.09641	34.6
260.09967	2.6
269.08060	6.0
270.18884	2.7
271.09714	8.2
271.14334	11.7
277.10669	16.2
279.10120	5.8
280.10410	2.7
283.09882	5.0
287.05481	11.0
288.05771	7.0
288.09973	3.8
289.06189	12.5
289.12045	5.8
289.15442	20.3
297.11072	5.2
301.11148	15.5
302.71503	2.8
303.12320	9.1
307.12823	3.5
313.07074	4.1
313.10614	5.7
315.11984	3.0
317.13675	4.2
319.04355	7.1
329.13834	35.7
330.14175	4.1
345.13196	7.7
346.14059	12.1
347.14853	97.4
348.15668	3.6
400.86337	3.4
421.18539	7.8
430.00232	3.1
433.08719	2.9
433.15189	8.7
451.10312	4.2
451.15878	23.3
451.32388	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	451.1598
Annotation	4-Methoxyphlorizin
Peak:m/z	Relative Intensity
53.03944	2.5
55.01857	3.0
55.05509	7.4
57.03438	4.0
57.07063	2.9
61.02911	3.4
65.03932	1.8
67.05502	12.1
68.99796	6.3
69.03426	15.3
69.07066	10.4
71.01362	1.0
71.04989	2.5
71.10051	1.4
71.10375	0.9
73.02894	1.8
74.70234	1.0
79.05492	10.2
81.03414	10.5
81.06599	1.6
81.07053	24.9
83.04986	5.8
83.08597	5.1
85.02904	32.9
85.06519	2.8
87.04458	1.9
87.96058	0.8
91.03938	2.2
91.05479	63.9
92.05757	0.9
93.07034	16.6
95.04953	3.4
95.08601	22.6
96.37439	0.9
97.02383	1.0
97.02895	11.2
97.06519	2.9
97.10161	2.9
99.04443	3.5
99.08099	1.1
103.05479	2.3
105.07027	79.8
106.07356	2.0
107.04909	1.3
107.08585	19.9
109.02866	6.1
109.06513	3.4
109.10140	13.6
111.04445	1.5
111.08060	3.1
111.11682	1.5
112.68744	0.8
113.02363	0.8
115.05452	4.3
117.06994	5.9
119.08580	19.0
121.06493	1.6
121.10138	12.1
123.04440	1.3
123.08067	2.6
123.11689	7.7
125.02374	1.6
125.09624	2.2
127.03924	10.5
128.06200	1.2
129.07018	7.1
130.07787	1.2
131.04994	0.9
131.08553	7.7
133.06483	15.3
133.10112	9.5
135.04460	0.9
135.08046	2.4
135.11687	6.5
137.06039	1.8
137.09628	1.6
137.13254	2.4
139.11133	1.7
141.06970	5.5
142.07793	1.6
143.08556	6.6
144.06352	0.9
145.04958	4.8
145.10112	14.4
147.08009	1.5
147.11681	8.3
149.09653	1.9
149.13258	7.2
151.07536	1.2
151.11133	1.9
153.06889	1.1
153.09019	1.1
155.03392	15.0
155.08548	5.4
156.09413	1.2
157.04921	3.5
157.06316	1.0
157.10129	6.9
159.08011	1.3
159.11702	9.5
161.09581	1.6
161.13286	5.0
163.11165	2.0
163.14824	4.0
165.06952	4.4
165.12749	1.9
167.08420	1.2
169.04967	3.0
169.06477	8.3
169.10094	4.0
171.08043	1.2
171.11688	6.7
173.13222	6.2
175.07590	1.1
175.14796	10.1
177.09038	1.1
177.16357	3.8
178.02628	4.5
179.03310	1.1
179.08485	1.4
179.14270	1.4
181.04938	1.0
181.06339	1.0
183.08051	6.9
183.11707	3.2
185.13261	3.2
187.14777	6.2
189.16394	5.0
191.14351	1.2
191.17917	1.6
193.04962	9.3
193.06497	1.9
193.12186	1.0
195.11710	2.2
196.12398	1.2
197.06007	1.5
197.09608	0.9
197.13353	4.2
198.14063	1.4
199.14786	6.2
201.16341	6.0
203.14438	1.1
203.17897	1.9
205.15887	1.5
207.08081	1.2
209.13364	1.5
210.04573	1.0
210.06511	1.0
211.07585	10.1
211.14822	4.3
213.16406	6.2
215.14287	2.0
215.17900	2.4
217.12355	1.1
217.15799	2.2
221.06058	2.2
221.13232	1.2
221.15257	1.2
225.16350	3.3
227.17921	0.9
229.15875	2.4
231.17398	2.6
237.16425	1.1
239.06992	9.2
239.17856	1.8
241.19588	3.8
251.17828	1.2
253.08536	1.8
253.19579	1.1
255.06490	5.2
255.17535	1.3
255.21112	0.9
256.07339	6.2
267.21078	2.1
271.09637	32.8
272.10056	1.2
287.23718	2.0
289.10693	100.0
289.25171	2.1
290.10968	3.1
321.26279	1.0
387.30319	2.7
397.27524	1.6
405.26801	1.0
405.31564	10.9
407.33081	1.7
415.28384	2.5
421.30951	1.2
433.30673	9.7
451.32150	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	451.1599
Annotation	4-Methoxyphlorizin
Peak:m/z	Relative Intensity
53.03932	2.3
55.01862	3.4
55.05517	6.5
55.59649	0.8
57.03428	3.4
57.07067	1.5
59.05016	0.8
59.05818	0.8
61.02926	4.5
65.03944	2.7
67.05505	9.0
68.99793	4.7
69.03426	16.2
69.07063	8.9
70.39073	0.7
71.04992	2.9
73.02896	1.1
74.58189	0.8
79.05472	7.3
81.03417	12.1
81.07052	18.3
83.04992	1.9
83.08629	3.0
85.02901	30.9
85.06531	2.7
86.11707	0.7
87.04471	1.9
90.10270	0.9
91.05476	63.4
92.05803	1.0
93.07043	13.4
95.04962	2.8
95.08604	18.7
97.02892	11.6
97.06520	2.2
97.10152	2.5
99.04439	3.7
99.08083	1.3
103.05457	1.7
105.07025	74.0
107.04955	1.3
107.08574	14.1
109.02862	6.1
109.06513	2.3
109.10149	11.2
111.04414	1.9
111.08100	1.8
111.11712	1.1
115.05446	3.3
117.06998	6.8
119.08578	13.1
121.06505	2.3
121.10139	11.5
123.04411	2.3
123.08086	2.1
123.11704	4.9
125.02402	0.8
125.09608	2.6
127.03909	11.1
128.06207	1.7
129.05545	1.0
129.06982	4.6
131.08549	6.5
133.06482	15.3
133.10112	8.1
135.04379	0.9
135.08046	2.2
135.11749	4.4
137.02322	1.0
137.05984	1.2
137.09627	1.0
137.13277	1.5
139.07562	0.9
139.11168	0.9
141.05910	0.9
141.06984	7.4
142.07802	1.2
143.08536	5.0
145.04953	4.4
145.10123	9.6
147.08105	0.9
147.11700	6.2
149.09668	1.3
149.13242	4.5
151.11116	1.0
153.06931	1.7
155.03391	13.4
155.08525	5.3
157.04971	3.1
157.10117	6.1
159.11687	8.5
161.09589	1.0
161.13222	4.7
163.11182	1.7
163.14819	3.3
165.06932	6.4
165.09119	1.2
165.12683	1.4
167.03334	0.9
167.06985	1.1
167.08517	1.9
168.09343	0.9
169.05118	1.5
169.06451	9.4
169.10106	4.0
170.02180	1.1
170.10892	1.1
171.08005	1.8
171.11662	4.7
173.09669	1.1
173.13300	4.8
175.11224	1.2
175.14815	10.4
177.16380	3.6
178.02591	6.3
179.03221	1.1
179.08595	0.9
181.10048	1.8
181.12297	1.2
183.08032	6.5
183.11710	3.4
185.04475	1.6
185.09685	1.2
185.13251	2.5
187.14838	4.2
189.16396	3.0
193.04976	8.3
193.06491	1.8
195.11821	1.7
197.06001	1.2
197.13266	3.3
199.14803	5.1
201.16368	2.6
203.14291	0.9
203.17957	0.9
205.15636	0.9
209.13277	1.8
211.07556	6.2
211.14931	5.5
213.12918	0.9
213.16364	3.7
215.17856	1.4
217.15866	1.4
221.05977	2.4
221.15437	1.3
225.09164	1.5
225.16356	1.0
227.18019	1.0
229.15921	2.4
229.45007	1.0
231.17455	2.2
239.07022	10.4
253.08629	2.0
255.06523	5.6
256.07330	6.4
271.09628	32.8
271.16815	1.1
289.10684	100.0
289.25195	2.0
290.11087	3.2
387.30127	1.8
405.31494	3.7
415.28149	2.0
421.31140	1.2
433.30850	11.2
451.26624	1.4
451.32104	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0867
Annotation	myricetin-3-O-arabinofuranoside
Peak:m/z	Relative Intensity
52.34827	0.5
55.01855	2.7
56.17100	0.5
57.03420	2.7
59.04997	1.1
61.02901	1.3
67.05501	1.4
68.99788	1.0
69.03415	2.9
69.07060	1.3
69.23970	2.8
69.24403	3.9
70.06581	1.8
71.01366	0.7
71.04965	1.0
72.08156	0.6
73.02898	1.8
79.05476	2.2
81.03404	2.2
81.07031	1.9
83.04965	1.2
85.02903	3.4
86.09698	1.4
91.05465	1.6
93.07031	2.1
95.04962	1.7
95.08612	1.7
97.02896	1.9
97.06504	1.6
98.21162	3.3
105.07023	1.6
106.02917	0.9
107.04945	0.7
107.08603	0.7
109.02868	1.5
109.06516	0.7
111.04427	1.4
115.03904	1.4
119.08543	0.8
120.08103	7.3
121.02884	2.3
121.10156	2.4
123.00791	0.8
123.04418	3.3
124.03963	1.8
124.07564	1.0
127.03901	1.5
131.08565	0.9
133.04930	1.2
135.04393	1.3
136.07486	0.8
137.02332	18.5
137.03293	0.8
137.05951	4.2
139.03934	1.1
139.11205	0.9
143.08522	0.8
143.11729	0.7
147.04427	2.1
147.11673	0.7
148.04813	0.8
148.07550	1.7
149.09605	0.9
153.01823	3.6
161.05963	2.2
163.03908	1.6
165.05522	0.7
167.10674	1.3
169.01279	3.0
169.10028	0.6
171.04381	1.3
175.03938	1.2
177.05402	0.7
177.09042	0.8
181.01241	1.0
181.05008	0.8
183.10301	0.7
185.00853	0.6
185.13284	0.6
189.05478	2.0
189.09093	2.0
195.08086	0.9
199.03859	1.7
203.03311	0.8
213.09126	1.3
214.10925	1.1
215.06920	0.8
215.11795	1.0
217.04939	1.2
219.30542	0.6
226.12212	1.1
227.03522	1.0
228.12529	1.1
229.15431	0.7
243.14922	9.8
245.04507	2.9
245.95500	0.7
255.02863	1.2
259.09662	2.7
263.05478	0.9
269.08429	1.1
271.14386	17.8
273.01019	0.7
273.03915	13.4
277.10876	1.6
287.00916	1.2
287.05530	1.5
289.15436	8.8
299.05652	1.0
301.03455	13.5
303.04965	0.7
317.02805	1.2
318.03381	0.8
319.04462	100.0
320.04745	4.3
391.08206	0.8
433.15921	0.9
451.09912	2.0
451.15710	3.1
463.86642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0871
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
53.03925	0.6
53.14945	0.7
53.54662	0.9
55.01856	3.0
57.03415	2.9
61.65941	0.7
67.05470	1.3
68.99780	1.8
69.03419	2.8
69.49906	4.8
69.50318	1.7
70.06571	1.1
73.02891	2.1
79.05474	1.8
81.03388	2.2
81.07034	2.6
83.04963	1.3
85.02886	4.1
85.06509	0.9
86.09695	2.1
91.05480	1.6
93.07034	2.1
95.01327	0.9
95.04952	3.4
95.08597	1.7
97.02888	1.5
97.06519	1.8
103.05475	1.0
105.07022	1.8
106.02885	0.9
107.03214	0.9
107.04922	1.2
107.08554	1.3
109.02848	1.6
109.10122	1.3
111.04420	1.4
115.03918	2.2
115.05424	0.9
118.06566	1.0
119.08556	1.7
120.08089	7.1
121.02869	2.2
121.04131	0.7
121.10126	2.5
123.00827	1.6
123.04428	2.8
123.11706	1.5
124.03937	2.9
124.07602	0.8
125.04266	1.1
125.09573	0.7
127.03931	1.1
131.08519	0.9
133.04950	1.4
135.04373	1.9
136.07558	0.8
137.01236	1.2
137.02325	22.4
137.05939	4.1
139.03915	1.8
147.04390	3.0
147.11713	0.9
148.07549	0.9
150.03047	0.8
153.01811	4.1
160.05083	0.9
161.05946	3.6
163.03873	1.2
165.05452	1.3
167.07100	1.2
167.10658	1.5
169.01320	3.4
171.04341	1.2
173.02330	0.9
181.01192	0.9
189.05440	1.6
189.09077	2.5
199.03958	1.9
203.03326	1.2
213.09027	1.2
214.10954	1.3
215.07027	0.9
217.04874	1.7
226.12248	0.8
227.03575	0.9
228.12523	1.4
231.10168	1.2
243.14908	10.7
245.04454	4.9
251.07201	0.9
255.02913	1.9
259.09671	4.2
271.14383	18.2
273.03903	14.9
274.04333	1.0
277.10873	1.2
283.02362	2.6
285.00198	1.4
287.05518	1.3
289.15445	11.0
301.03406	16.7
302.03659	0.9
303.04865	1.0
317.02832	1.0
318.03113	1.2
319.04437	100.0
320.04782	4.7
426.43686	0.9
433.14923	1.5
442.85400	0.8
451.10022	2.6
451.16068	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	451.0868
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
50.56049	0.7
54.03898	0.5
55.01867	2.7
57.03432	3.9
57.88552	0.5
59.05002	3.5
61.02912	0.8
67.05482	1.8
67.76855	0.5
68.99782	1.8
69.03450	2.9
69.07029	0.8
70.06584	1.1
71.01336	0.9
71.02804	1.5
71.04966	0.8
73.02912	3.1
73.15250	0.5
78.82982	0.5
79.05492	0.9
79.64709	0.5
81.03423	1.0
81.07068	2.9
83.04953	0.7
85.02906	4.5
86.09682	1.0
87.04417	0.9
91.05468	1.1
93.07008	1.3
94.11282	0.6
95.04959	2.8
95.08596	2.4
97.02869	1.8
97.06506	1.7
103.05436	0.8
105.07062	0.8
107.04961	0.7
107.08609	1.2
109.02882	3.4
109.10152	2.3
111.00790	2.4
111.04436	0.9
111.05563	1.1
115.03912	1.7
119.08542	1.3
120.08087	0.8
121.10126	2.1
123.04433	0.8
123.05433	0.6
123.08067	2.9
127.03852	0.8
131.04921	0.8
133.04932	1.8
135.04420	1.1
136.07564	1.9
137.02299	2.4
137.05949	0.6
137.09569	1.8
138.09045	0.5
139.03889	1.1
141.06593	2.3
141.09056	1.0
147.04419	1.1
148.07547	0.8
151.11208	0.6
153.01833	12.9
153.05409	0.7
159.07669	0.8
161.05933	1.6
161.07137	1.8
163.03902	0.9
163.11258	0.5
164.07080	1.9
165.00630	0.7
165.01793	3.9
165.09106	1.6
166.02519	0.6
167.07126	0.6
167.08575	0.7
168.56744	0.5
169.12224	1.7
175.07593	0.6
179.03391	2.2
181.04878	0.9
183.02873	1.9
183.10168	3.9
183.11551	0.8
189.05464	1.1
189.09087	2.8
195.02884	1.3
195.08090	0.7
203.03345	1.1
206.59946	0.5
213.09056	1.3
217.04984	4.9
217.08554	0.8
227.03397	0.8
229.05013	1.0
229.15628	0.8
231.02905	0.8
241.08621	0.6
243.14948	2.2
244.03630	0.8
245.04492	5.7
259.09500	2.7
263.05417	1.1
264.84280	0.7
271.14352	1.8
273.03845	4.4
289.15399	5.6
290.04178	1.1
301.03360	1.7
303.04865	0.7
304.05057	0.7
319.04465	100.0
320.04761	4.5
331.04431	1.7
343.04361	0.6
345.15414	0.8
415.06644	1.1
451.10553	0.8
451.16077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
57.03437	6.7
57.44051	0.4
59.05001	0.9
61.02935	2.0
65.03919	0.5
67.05495	0.6
68.99793	1.2
69.03424	2.9
69.07056	0.4
69.55720	3.2
71.01331	0.5
71.04961	1.0
73.02516	0.8
73.02916	15.1
79.05474	0.6
81.03410	1.5
81.07054	1.0
85.02891	0.5
90.10997	0.4
91.05463	0.8
93.03357	0.6
93.64403	0.4
95.08614	1.1
97.02872	1.1
97.06520	0.9
98.21464	0.8
99.04489	0.4
105.07040	0.7
109.02865	2.8
109.10154	1.5
111.00785	2.6
111.04445	1.0
115.03939	0.9
118.06522	0.5
121.02901	0.4
121.06509	0.6
123.04427	1.0
123.08062	0.8
127.03922	0.9
135.04446	0.8
137.02347	2.7
137.05994	1.1
137.09634	1.1
139.03876	1.0
145.07600	1.3
147.04437	2.2
147.08003	0.7
147.09100	0.7
149.05997	0.6
153.00587	0.7
153.01828	13.7
161.05994	0.8
163.03896	1.2
165.01843	3.7
165.09079	0.6
166.02602	0.9
173.07143	1.5
175.07463	1.0
177.05502	0.5
179.03375	1.8
181.04921	1.0
181.06461	0.5
183.02968	1.0
183.10165	1.8
189.05499	1.2
191.08150	13.6
193.08624	1.1
195.02815	0.6
203.03380	0.9
214.76317	0.5
217.04973	4.6
219.02974	0.6
221.04579	0.5
227.03377	1.0
229.04945	0.5
244.03725	0.5
245.04445	5.5
245.08263	0.4
255.02879	0.8
259.09634	0.7
263.05716	0.6
271.05783	0.7
273.03915	5.3
289.06784	0.7
289.11063	0.6
290.04172	1.7
301.03455	1.2
307.12918	8.1
319.04477	100.0
320.04779	3.1
325.13889	1.5
329.02991	0.8
343.03992	0.5
394.27057	0.6
415.06400	0.5
451.17474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49964	0.9
53.03939	1.4
55.05506	7.2
57.07065	1.6
59.78938	0.9
67.05500	12.0
69.07062	8.1
71.04980	2.2
71.21505	1.8
73.07137	0.9
79.05496	9.2
81.03420	1.3
81.07052	17.3
82.07401	1.3
83.04972	2.4
83.08620	3.9
83.10511	0.9
85.06533	1.6
91.05474	11.2
93.07038	21.4
94.07376	1.8
95.04946	1.7
95.08603	32.7
96.08940	1.5
97.06506	2.0
97.10152	2.2
99.04443	8.1
101.05993	3.3
105.07027	13.6
106.07391	1.0
107.05052	1.1
107.08586	23.1
108.08886	1.0
109.06486	1.4
109.10152	23.2
110.10543	1.0
111.08149	0.9
117.07001	2.2
119.08572	29.6
121.06524	0.9
121.10136	38.7
122.10480	1.5
123.08096	1.4
123.11689	6.5
123.12478	0.8
127.07559	1.4
129.07025	0.9
131.08543	5.6
133.10110	23.4
135.08080	2.6
135.11691	23.3
136.12007	1.3
137.13216	1.4
137.32611	0.8
145.10114	14.7
147.08072	1.3
147.11688	20.0
149.13203	8.1
151.11118	2.5
155.08530	1.1
157.10115	2.8
159.11685	17.7
160.12125	1.5
161.09570	1.6
161.13222	6.6
163.11169	1.6
163.14775	6.6
165.12717	2.8
171.11572	1.3
173.13229	7.0
175.11154	1.6
175.14783	5.7
177.12746	3.3
177.16318	2.6
179.10814	1.3
181.04935	5.4
181.12170	5.2
183.11728	1.6
185.13226	2.8
187.14784	13.8
189.12675	1.8
189.16376	18.7
191.17937	51.2
192.18359	2.0
193.12209	4.0
195.11708	1.4
195.13780	4.1
197.13313	1.0
199.14911	2.3
201.16386	16.0
203.17976	8.1
205.12241	1.8
207.13808	11.4
207.17390	7.8
208.18004	1.0
209.15340	2.0
211.14766	1.2
213.16388	1.5
215.17902	5.7
217.19551	1.6
219.13858	1.5
229.19531	1.3
233.15428	1.2
235.16835	2.6
241.19431	1.1
249.18585	2.7
261.18521	1.1
275.20184	1.3
287.05737	1.5
287.20059	2.4
288.05798	3.6
301.21631	16.0
301.24728	1.8
302.21930	1.4
313.21609	2.7
379.30115	1.7
397.31000	100.0
398.31406	7.2
404.30179	1.2
405.31400	1.9
415.31979	5.9
422.31473	1.3
433.31158	1.3
450.29755	5.0
450.35699	14.3
451.31979	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	450.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
55.31425	0.6
58.83981	0.7
63.40585	0.6
67.05470	0.8
69.03410	1.3
70.53397	0.9
70.53722	1.3
74.00633	0.9
79.05485	0.9
81.07020	2.3
83.08601	0.7
85.02888	1.0
88.03928	0.7
91.05423	1.2
93.07014	1.7
95.04926	2.0
95.08569	0.9
99.04443	1.2
105.06987	0.9
107.08569	0.7
109.02870	1.2
109.10183	0.7
119.08545	1.0
121.10131	1.8
125.02316	1.7
133.10115	0.9
140.99962	0.8
147.11655	0.8
149.09576	0.6
151.03862	1.4
154.13477	0.6
167.01611	2.7
167.03366	12.3
169.52371	0.6
179.03374	0.7
183.01085	0.7
191.98732	2.2
195.01132	3.5
202.00832	1.1
207.01111	4.8
213.53587	0.7
217.03203	4.0
219.01083	1.6
219.98227	2.0
229.04938	2.5
231.01047	0.9
232.01944	1.5
233.02661	1.2
234.03380	1.5
235.00591	9.7
235.16986	0.7
237.99413	1.2
243.06873	0.7
245.02547	3.2
246.03383	0.8
247.00551	5.4
248.01395	1.3
253.01633	6.3
253.17953	1.8
257.04517	3.9
257.99808	2.1
259.00504	0.9
261.02148	1.3
262.02942	10.0
263.03412	0.8
273.02145	8.4
275.00156	2.3
277.05255	3.0
284.05896	1.2
287.45087	0.6
289.01758	1.1
290.02423	35.5
291.02631	0.9
297.03818	1.5
298.04233	2.6
301.01624	14.5
301.06949	0.8
302.02206	0.9
305.04776	35.9
306.05087	1.1
316.04111	2.4
318.01926	8.0
328.05786	2.1
329.01172	3.0
330.01901	7.1
330.07291	1.0
331.02560	1.9
331.08173	3.7
333.04245	96.0
334.04535	2.3
341.06482	1.8
345.04199	1.7
355.02676	1.1
361.03732	100.0
362.04248	3.0
363.05322	4.3
369.04022	1.0
387.05362	1.6
450.08627	11.6
451.06927	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.5
53.03938	8.9
53.92976	2.8
55.01867	5.9
55.05515	22.4
57.03440	13.4
57.07071	5.2
61.02913	11.7
64.98046	2.5
65.03963	3.1
65.06895	2.4
67.05504	27.1
69.03429	46.0
69.07069	26.7
69.42043	8.6
69.42468	12.4
71.04990	7.4
73.02920	8.0
73.99442	2.5
79.05489	23.2
81.03410	24.7
81.07053	72.3
83.04971	6.3
83.08613	11.2
85.02383	5.3
85.02901	100.0
87.04448	7.5
91.03951	3.9
91.05476	41.6
93.07040	37.1
95.04952	10.7
95.08607	55.0
97.02891	32.6
97.06509	4.4
97.10168	7.8
98.20764	5.5
99.04456	10.6
103.05526	3.4
105.07030	74.2
107.08591	46.5
107.09733	3.0
109.02894	16.8
109.06523	6.7
109.10161	40.3
111.04478	3.7
111.08062	9.0
111.11675	3.9
113.33663	2.9
115.05442	7.2
117.07043	8.2
119.08580	59.9
121.06490	3.3
121.10142	36.9
123.08133	2.9
123.11676	18.3
127.03940	23.4
129.07010	6.9
131.08542	29.0
132.87997	2.5
133.06490	6.8
133.10117	40.8
135.11700	18.4
137.05948	3.1
137.13235	8.3
139.03883	3.1
139.11150	3.3
142.07750	4.0
143.08528	20.4
144.09261	2.9
145.04936	14.4
145.10126	54.3
147.08017	3.5
147.11691	35.4
149.12215	2.7
149.13231	16.2
153.05457	4.7
155.08531	4.5
156.09282	6.1
157.06525	3.8
157.10129	23.9
158.10928	3.6
159.11699	45.2
160.12291	3.8
161.09653	5.4
161.13257	23.7
163.11143	5.3
163.14827	10.6
165.12827	3.3
167.08557	4.3
169.10159	6.1
170.10783	3.1
171.11687	24.5
173.13254	31.4
175.14815	24.1
177.05467	5.4
181.04930	3.2
183.11742	6.6
185.09647	3.3
185.13239	18.1
187.14821	27.6
189.16364	15.8
193.15854	5.1
197.13219	7.3
199.14787	25.1
201.16438	18.8
203.14319	4.2
205.15833	6.5
206.95485	3.2
211.14748	5.1
213.16360	16.7
215.17921	8.2
225.16420	8.2
227.17944	21.0
229.19514	41.1
231.21100	4.4
241.19530	4.5
255.10149	8.2
259.24173	4.4
267.20966	4.4
269.22614	61.2
271.24213	12.6
273.11252	31.2
274.69876	3.0
287.05716	3.2
287.23672	70.1
299.23590	3.7
317.06683	4.8
337.19983	3.2
341.09998	3.2
395.25903	5.7
413.26694	8.6
431.27933	16.4
449.28876	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	449.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07689	1.9
52.89016	1.9
53.03946	5.7
54.39438	1.6
55.01870	2.5
55.05515	24.9
57.03447	14.0
57.07064	5.1
65.03946	3.4
67.05504	100.0
69.03428	2.1
69.07068	34.8
71.01360	3.8
71.04984	10.0
79.05493	75.7
81.03416	6.2
81.07058	95.2
83.04983	17.6
83.08615	12.9
85.06542	8.0
91.05480	45.5
93.07044	95.3
95.04972	11.8
95.08615	28.0
97.06532	23.4
97.10170	8.7
99.08083	5.1
104.21750	2.0
105.04480	1.9
105.07021	13.5
107.08592	59.9
109.06508	4.9
109.10200	8.7
111.08088	6.4
117.07044	12.8
119.08578	14.0
121.06500	6.0
121.10146	21.5
123.11756	2.9
125.09617	3.1
131.08549	9.5
133.10130	13.4
133.89781	2.0
135.08044	3.4
135.11687	60.3
137.09619	2.3
139.07491	2.0
139.11209	1.7
143.08519	3.4
145.10136	12.5
147.11646	3.1
149.13252	32.7
157.10098	2.0
159.11725	13.4
163.11174	6.2
166.00514	2.1
171.11687	3.3
175.14772	2.0
177.12787	5.6
181.04976	6.1
181.10109	1.8
181.10884	1.9
181.12181	12.2
195.12207	2.0
195.13733	11.2
196.08482	1.7
201.05086	1.8
210.31497	2.0
237.14656	2.3
269.17474	2.2
287.05505	17.3
293.02118	2.4
357.24179	1.8
431.28223	2.2
449.28986	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03941	6.8
55.01874	5.9
55.05512	25.1
57.03437	13.1
57.07071	4.0
59.59209	1.3
59.72441	1.1
65.03923	3.7
67.05506	96.3
69.03413	1.6
69.06689	1.7
69.07071	30.8
71.01350	3.7
71.04993	7.4
71.51785	2.0
75.62663	1.4
78.06042	1.2
79.05495	78.5
81.03426	10.3
81.07056	91.6
83.04990	13.4
83.08615	16.0
85.06553	6.6
91.05482	48.4
93.07046	100.0
95.04971	15.6
95.08604	26.8
97.06524	18.8
97.10169	8.6
99.04460	1.7
99.08092	2.9
103.05433	1.4
104.94645	1.2
105.03385	3.0
105.04522	3.5
105.07044	16.4
107.04925	3.8
107.08596	53.4
109.06506	4.3
109.10169	9.2
111.08051	6.5
111.11747	1.4
113.09690	1.8
115.05384	2.0
117.07023	9.5
119.08573	10.6
121.06512	3.3
121.10149	23.5
123.08084	1.4
123.11691	2.4
125.09589	2.5
128.06299	1.5
129.07004	2.9
130.07779	1.5
131.08560	10.2
132.96161	1.2
133.10144	13.6
135.04446	1.5
135.08038	3.7
135.11690	61.5
139.11212	1.9
143.08571	3.3
145.10115	11.4
147.11676	4.4
149.13258	29.8
151.11203	2.2
153.01871	2.8
153.12790	2.5
155.06989	1.8
155.08473	1.4
157.10094	1.6
159.11691	15.3
163.11194	9.2
166.28421	1.3
167.07108	1.4
169.10144	1.8
171.11734	3.2
173.09697	1.5
177.12746	6.4
181.04922	6.8
181.12190	10.5
183.11705	2.2
195.13805	14.1
199.14880	2.9
213.14774	2.5
243.10245	3.8
262.41183	1.4
267.10156	5.3
269.17514	1.3
287.05505	33.9
287.08618	1.4
288.05789	2.1
295.09686	4.4
297.04065	1.9
298.66025	1.2
339.23151	1.7
345.09698	4.2
357.24457	2.0
384.56430	1.3
431.28552	3.9
449.08633	1.7
449.29065	78.8
450.29477	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	449.1813
Annotation	Dichotosin
Peak:m/z	Relative Intensity
53.03930	0.6
53.34187	0.2
55.01841	0.4
55.05511	1.6
57.03431	0.2
57.07065	0.3
59.34201	0.2
65.03931	1.0
65.84128	0.2
67.05499	2.2
68.99794	0.6
69.03421	2.1
69.07053	2.4
69.17420	1.4
69.17845	0.9
70.55732	0.2
71.04963	0.3
73.02897	0.2
77.03902	0.3
79.05491	2.7
81.03070	0.2
81.03421	1.8
81.07055	3.9
82.07403	0.2
83.04970	0.5
83.08614	0.6
85.02896	0.7
85.06548	0.3
85.96202	0.2
91.05471	28.3
92.05806	0.4
93.07031	2.6
95.04958	1.9
95.08605	2.8
97.02868	0.5
97.06514	0.4
97.10154	1.1
99.04407	0.4
102.84988	0.2
103.05440	1.1
103.92122	0.2
105.07021	33.9
106.07368	0.7
107.04950	1.5
107.08570	2.4
108.08097	0.4
109.02887	1.4
109.06483	1.1
109.10150	2.0
111.04427	0.7
111.08055	0.3
111.11719	0.4
115.05446	24.6
116.05760	0.4
117.07011	9.5
118.07301	0.3
119.04939	0.2
119.08567	1.7
121.06492	0.8
121.10107	1.3
122.03655	0.4
123.00842	0.2
123.04412	1.7
123.08056	0.5
123.11711	1.1
125.05991	1.6
125.09629	0.5
127.03890	1.1
128.06227	1.1
129.06989	4.5
131.04933	0.3
131.08559	1.6
133.06468	2.4
133.10109	1.1
134.05968	0.3
135.04414	0.3
135.08032	0.5
135.11691	1.0
136.07571	1.3
137.05962	1.6
137.09610	0.2
137.13239	0.4
138.05499	0.3
139.03906	1.2
139.11163	0.5
141.05452	1.5
141.06964	0.3
143.08566	0.6
145.06451	0.7
145.10115	1.0
147.08026	0.3
147.11697	1.2
148.07576	0.3
149.05969	0.3
149.09610	0.5
149.13234	0.7
151.07518	1.0
151.11063	0.2
153.05453	19.9
154.05869	0.5
155.07010	1.7
155.08397	0.5
157.10173	0.6
159.11662	0.9
161.13237	0.7
163.03886	0.4
163.11168	0.5
163.14816	0.4
164.07063	2.6
165.05486	0.8
165.06851	0.4
165.12761	0.2
166.07756	0.9
167.03348	0.4
167.07034	11.5
167.08464	0.6
168.06497	0.3
169.10077	0.5
171.07996	0.4
171.11681	0.5
172.07524	0.3
173.09555	0.2
173.13214	0.6
175.11159	0.4
175.14757	0.4
177.05476	1.7
177.06850	0.5
178.06247	0.5
178.07745	0.5
179.06973	1.2
179.08531	0.6
179.10727	0.2
179.87360	0.2
181.04945	1.7
181.06410	0.4
181.10078	0.6
182.08121	2.9
183.06514	2.6
183.08020	0.3
187.14737	0.4
189.11131	0.2
189.12656	0.3
191.08548	0.4
191.14325	0.3
193.10040	0.2
194.07265	1.8
195.08011	0.8
195.09976	0.2
197.06018	0.2
197.13243	0.3
201.12779	0.3
203.17888	0.2
205.06409	0.6
205.15884	0.3
207.08113	0.4
209.07976	0.3
209.09622	2.6
210.10249	0.3
211.07469	0.5
211.14806	0.2
213.12680	0.3
219.08134	0.3
221.06029	0.3
222.06752	0.9
223.07509	2.9
224.08069	0.2
225.05348	0.4
227.07010	0.3
231.13965	0.4
237.09044	4.4
238.09831	6.7
239.07008	1.0
241.08548	0.3
241.12164	0.4
253.08607	2.3
254.09369	4.4
257.04044	0.2
259.24319	0.2
261.18457	0.2
269.11700	39.3
270.12045	1.8
282.11127	0.3
287.12747	100.0
288.13083	4.2
305.24884	0.2
317.06522	0.9
331.22281	0.2
357.24179	0.6
383.10211	0.3
395.14224	0.3
395.25412	0.4
398.12454	0.3
403.05905	0.4
413.14920	4.3
413.26410	0.4
431.15811	1.5
431.27911	0.9
449.06784	1.9
449.17468	2.4
449.28830	2.8
450.06628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Isorhamnetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01863	1.5
57.03436	2.7
60.35531	0.3
61.02914	0.6
69.03416	1.0
70.84621	0.7
70.84956	0.7
71.01331	0.6
72.41763	0.4
73.02910	2.0
77.51772	0.3
81.03405	0.4
81.07031	0.5
85.02892	1.7
95.04973	0.6
97.02878	1.0
115.03915	1.0
121.02872	1.1
123.04437	1.2
124.01563	0.8
125.02382	0.8
133.04959	0.9
137.02377	2.5
149.02393	0.6
151.03888	1.0
163.03931	0.7
167.03441	3.4
179.03371	1.5
197.04446	0.5
215.07045	1.4
228.04175	1.0
243.06543	4.2
244.06866	0.4
251.83493	0.4
261.07596	0.5
271.06006	2.0
273.04013	0.6
274.04721	4.3
288.06274	0.8
299.05362	0.5
301.67029	0.4
302.04245	2.8
317.06558	100.0
318.06873	3.3
413.08441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03400	1.0
61.02924	5.5
67.05496	0.3
68.99777	0.8
69.03426	2.2
70.80139	0.8
73.02919	2.1
79.05427	0.3
81.03379	0.5
83.98116	0.3
85.02905	5.7
91.03951	2.8
93.07008	0.3
97.02882	3.2
99.04421	0.4
105.03401	0.4
107.04929	0.5
109.02840	0.5
111.00782	0.6
111.04442	0.5
115.03896	0.8
121.02869	3.1
123.04411	3.3
127.03880	1.2
133.02814	0.4
137.02312	1.0
145.04916	1.1
147.04364	1.1
151.03854	0.4
153.01814	4.1
154.02145	0.4
157.06430	0.4
160.50969	0.3
161.05869	0.3
165.01854	1.8
171.04379	0.4
173.02394	0.4
177.05435	0.5
181.04889	0.8
183.02844	0.9
185.05951	0.4
193.58812	0.2
201.01790	0.9
203.03378	0.5
213.05463	1.5
215.03447	0.3
218.02057	0.6
229.01204	0.4
231.06586	0.5
241.04938	0.7
243.02815	1.2
246.01604	0.8
257.00815	4.8
258.01324	0.3
258.05255	1.2
259.05841	0.4
271.02475	0.6
273.04010	0.4
285.00235	2.9
286.00906	0.6
287.05481	100.0
288.05789	3.8
289.03381	0.7
299.02063	0.5
299.05429	0.6
302.00555	8.5
303.00940	0.3
303.04883	0.4
317.02908	41.6
318.03268	2.6
325.06976	0.7
449.07895	0.4
449.13110	0.5
449.18088	1.0
465.02988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Distichin
Peak:m/z	Relative Intensity
55.01875	1.1
57.03434	4.1
59.59383	0.5
61.02913	0.7
65.03870	0.5
68.39998	0.5
69.03437	0.7
70.86268	1.3
71.01334	0.6
73.02919	7.2
75.13350	0.5
85.02908	0.9
94.82161	0.5
115.03944	1.0
121.02839	1.0
123.04445	1.8
133.04948	1.0
137.02306	2.5
141.05540	0.5
151.03853	0.9
158.96017	0.6
167.03429	3.8
179.03416	1.4
197.04478	1.1
200.04678	0.5
204.08374	0.5
215.07062	1.8
243.06529	4.0
271.05984	2.7
271.88199	0.5
274.04782	3.8
288.06226	1.0
299.05383	1.3
302.01135	0.5
302.03964	2.4
303.75684	0.4
317.06555	100.0
318.06894	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	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03432	4.9
70.85922	5.2
71.04670	2.0
71.04996	29.2
85.02904	30.2
97.92247	1.9
129.05455	7.4
136.65736	1.9
137.02321	4.3
153.01839	4.5
163.03976	1.9
165.01854	2.3
184.39433	1.9
187.09715	2.0
212.21350	1.7
229.04941	4.0
257.04501	3.6
260.53922	1.8
303.04974	100.0
304.05243	2.4
345.06042	2.7
413.08835	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	449.1077
Annotation	Isorhamnetin 3-xyloside
Peak:m/z	Relative Intensity
50.83974	0.7
53.03951	1.0
55.01868	3.4
55.05511	2.0
57.03440	6.4
61.02930	1.2
61.05894	0.7
65.03947	1.3
67.05504	2.0
69.03436	2.5
69.07053	1.8
70.06574	0.9
70.48534	0.7
70.62882	1.6
71.04980	3.8
73.02905	3.9
75.04469	1.9
79.05501	2.9
81.03425	1.2
81.07062	5.6
83.04971	1.3
85.02889	9.4
85.06538	1.5
85.58170	0.7
91.05480	3.1
91.21059	0.9
93.03419	1.6
93.07040	4.1
95.04980	2.0
95.08609	3.9
97.02886	2.1
97.06527	1.7
99.04433	0.7
103.05481	0.8
105.07034	3.6
107.04944	1.5
107.08592	3.8
109.02904	1.7
109.06513	1.3
109.10135	3.8
111.04436	1.3
115.03918	1.2
117.07006	1.2
119.04963	1.0
119.08572	2.4
121.02824	2.3
121.06522	1.3
121.10146	2.3
123.04460	1.7
123.08064	1.0
123.11751	1.9
125.05998	1.7
125.09647	1.1
127.03905	1.3
127.11196	1.2
131.05014	0.8
131.08533	1.8
133.04962	2.3
133.06447	0.9
133.10196	1.3
135.04390	1.1
135.08031	1.2
135.11594	1.3
137.02365	1.3
137.05974	1.7
139.03891	1.5
145.10118	2.7
147.04428	1.5
147.11711	1.4
149.09583	1.3
151.03902	1.9
153.01834	10.8
155.08472	0.9
159.11668	1.3
161.05925	1.3
163.03908	1.9
163.11195	1.8
164.07030	1.4
165.01904	0.9
165.05472	0.9
167.07097	2.1
169.06519	0.9
177.09132	1.1
179.03474	0.9
181.04942	5.2
190.43109	0.9
191.03206	1.0
191.14200	1.0
196.96513	0.8
218.05847	1.1
228.04198	1.7
229.04935	5.3
233.08157	1.1
234.12056	1.3
245.04503	1.7
246.05197	1.8
252.12981	1.0
257.04471	4.0
269.12918	2.5
271.05969	2.3
272.06372	1.8
273.03900	1.7
273.06592	3.6
274.04733	4.1
284.11444	1.1
285.03922	5.2
285.06894	0.8
287.05469	3.0
287.13824	1.5
297.04010	2.0
302.04211	13.5
303.05011	14.7
317.06543	100.0
318.06860	3.0
355.04431	1.6
357.13361	2.1
378.49268	0.9
449.08536	2.3
449.15051	5.3
449.29196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
61.02935	2.5
63.66278	0.3
69.03436	2.2
70.87563	0.6
70.87903	0.4
73.02918	4.5
80.96206	0.3
85.02905	2.5
89.03922	0.4
91.03953	1.0
97.02892	3.6
98.21093	0.5
102.04647	0.4
106.83521	0.3
109.02846	0.4
111.00829	0.4
115.03934	2.3
121.02852	0.8
127.03873	0.5
127.30547	0.3
139.03876	0.5
145.02850	0.9
153.01831	1.8
165.01790	0.6
173.02333	2.7
183.02827	0.5
190.02637	0.4
201.01819	6.6
202.02266	0.3
213.05469	0.7
218.02104	1.6
218.31013	0.4
229.01289	3.6
244.09625	0.6
246.01569	2.5
257.00803	31.1
258.01215	1.2
258.05258	0.6
271.02255	0.4
274.01022	1.5
284.12039	0.4
285.00290	42.4
286.00876	2.6
287.05502	30.2
287.08887	0.4
287.12375	0.7
288.05966	0.8
302.00574	5.5
317.02914	100.0
318.03220	4.1
351.84918	0.4
449.07346	1.5
449.18112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.46472	0.3
55.01872	0.3
56.64061	0.3
57.03424	0.7
59.34466	0.2
61.02927	5.7
65.20693	0.3
67.01839	0.3
68.99792	0.8
69.03414	1.2
70.82824	0.7
70.83173	0.4
73.02896	1.7
73.75954	0.3
81.03391	0.4
85.02377	0.3
85.02902	5.4
89.06042	0.3
91.03944	3.1
97.02879	3.5
99.04449	0.4
101.02380	0.3
105.03374	0.3
107.04946	0.4
109.02878	0.7
109.51604	0.3
111.00777	0.7
115.03938	0.7
121.02873	2.5
123.04433	1.6
127.03919	1.1
137.02321	0.8
145.04962	0.7
147.04427	0.7
153.01822	3.8
157.06454	0.5
161.05928	0.3
165.01819	1.6
181.04904	0.6
183.02879	1.0
197.05995	0.4
213.05455	1.3
218.01987	0.3
231.06494	0.8
241.04913	0.7
243.02817	0.4
246.01581	0.5
257.00790	2.3
258.05255	1.0
259.05988	0.6
269.04297	0.3
274.01288	0.3
285.00363	2.4
287.05496	100.0
288.05820	3.7
299.05594	0.4
302.00604	2.7
317.02921	18.4
318.03220	1.1
325.06918	0.4
449.12424	0.4
449.18271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01862	11.1
55.05507	9.7
57.03423	11.8
61.02915	3.7
62.50674	3.4
67.05507	21.3
67.68877	3.3
68.99780	4.6
69.03418	15.9
69.07053	19.5
70.06574	11.6
71.01328	5.2
71.04977	17.6
71.12621	3.4
71.42621	8.2
73.02900	12.5
77.43307	3.3
79.05494	22.8
81.03407	14.2
81.07059	42.9
82.06538	3.4
82.07370	4.5
83.04963	23.0
83.08598	4.6
85.02535	3.3
85.02911	37.1
85.06525	11.7
86.06065	76.1
91.05445	22.5
93.07044	53.6
95.04963	18.7
95.08594	15.6
97.02884	17.7
97.06512	46.0
97.10142	8.5
99.04436	28.0
101.06026	4.0
103.63957	3.9
105.07031	50.4
107.04955	15.3
107.08598	50.7
108.72146	3.8
109.02865	13.5
109.06499	31.1
109.10127	7.2
111.08070	4.9
117.07013	14.8
119.04932	7.0
119.08559	32.6
121.02875	4.5
121.06487	20.8
121.10152	35.7
122.10500	4.2
123.04430	10.7
123.08040	6.9
125.06001	39.1
127.03879	13.4
127.07534	12.9
129.06970	5.5
130.07764	8.1
131.04903	4.5
131.08569	25.5
133.06461	9.1
133.10097	12.0
135.04384	8.2
135.08035	17.0
135.11667	19.0
137.02209	4.1
137.05991	26.5
139.03900	8.1
139.07516	7.7
141.06982	4.9
143.07027	62.9
143.08551	9.0
145.04936	6.8
145.06453	8.7
145.10117	89.7
147.04425	4.8
147.07997	8.8
147.11646	12.0
149.02333	8.3
149.05914	5.2
149.09624	18.7
150.47646	3.8
151.03772	4.2
151.07538	17.0
153.01814	13.1
153.05475	8.7
155.06992	10.3
157.10097	6.6
159.08003	5.4
159.11681	42.6
160.05078	3.4
161.06012	10.1
161.09625	8.8
163.03938	7.7
163.05746	3.3
163.07507	12.6
163.11179	56.7
167.03392	3.9
167.07045	9.1
169.10086	8.4
173.09604	42.2
175.07530	4.2
175.11157	4.9
177.12718	5.2
181.04883	6.8
181.12212	32.3
187.11177	58.4
191.10641	62.0
205.12245	72.4
205.15916	5.5
209.11765	20.2
215.10664	42.8
223.13293	9.1
233.11719	83.8
233.15236	8.9
249.09138	4.2
251.12781	75.0
251.16422	11.0
253.08430	5.0
255.09933	4.7
269.13815	26.8
271.06021	11.4
272.06354	22.8
274.04770	5.1
283.09805	4.3
287.05487	5.1
297.04022	7.4
302.04236	12.4
303.05023	25.6
304.05368	5.8
315.12283	8.5
317.02908	6.8
317.06509	100.0
325.10516	4.3
357.13425	17.9
374.13354	6.7
375.14249	6.7
377.15845	20.1
395.16971	13.5
413.17944	23.0
448.15970	44.5
448.27493	11.3
449.08652	5.4
449.14316	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	448.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25334	0.4
51.02378	1.2
53.03950	2.2
55.01856	1.7
57.03428	1.9
61.02929	0.5
67.05505	1.0
69.03431	6.0
71.04984	0.5
71.50966	0.8
73.02917	0.9
77.32294	0.5
78.03453	10.7
78.62787	0.4
79.05476	1.1
80.05029	2.7
80.05817	0.5
80.07684	0.4
81.03419	10.8
81.07074	0.6
85.02898	5.5
87.04485	1.1
91.05449	2.4
91.34722	0.5
93.07045	1.9
94.07382	1.3
95.04978	0.6
95.08616	0.6
96.04498	4.1
97.02894	5.8
97.06518	0.6
97.59867	0.5
99.04443	1.9
103.05473	1.5
105.07043	0.6
106.02913	46.0
107.04951	0.5
107.08596	1.4
109.02892	5.8
110.06072	0.7
112.03956	0.8
115.03927	2.9
115.05432	1.0
116.10698	0.5
117.06239	0.8
117.07022	11.8
117.07853	0.6
119.08567	2.0
121.10152	2.2
122.10473	2.1
124.03951	100.0
125.02342	1.4
125.04259	0.9
127.03913	4.0
128.06250	0.7
129.07014	6.3
133.04958	0.7
135.04422	1.1
137.05972	1.6
139.03908	0.9
140.03415	1.5
145.06482	28.8
147.08023	3.8
149.09593	0.8
150.10008	0.8
153.01807	0.7
153.05461	0.6
155.06032	3.7
166.04933	0.5
179.03294	0.5
181.04935	1.9
181.06401	0.6
226.06915	0.5
232.06146	0.8
237.98294	0.5
238.07126	1.8
250.04488	0.8
250.07098	11.0
250.09570	0.9
266.06717	0.6
268.08167	31.1
269.08405	0.6
284.07666	22.5
286.09207	16.0
287.05505	10.7
287.09012	0.8
287.46420	0.5
312.15347	0.6
317.06662	0.7
321.22839	0.5
412.13818	1.9
430.15121	2.6
448.12357	1.5
449.14490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3832
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05516	50.6
57.07077	59.7
67.05495	10.9
69.07059	84.3
70.69286	18.7
71.08623	48.4
74.60439	5.7
78.06408	4.8
81.07047	14.3
83.08615	53.2
85.10162	23.6
93.07027	6.9
95.08588	8.4
97.10175	42.7
105.07072	5.4
107.08575	16.6
109.10157	6.7
111.11711	37.0
113.23370	5.2
116.25852	5.6
119.08524	5.1
125.13270	13.9
133.10075	5.9
135.08037	19.2
137.09566	15.3
139.07527	27.3
149.02373	9.0
149.09627	12.3
151.07510	5.3
153.09103	13.9
156.66570	5.9
163.07521	10.8
165.09109	100.0
169.08623	7.6
172.42183	5.2
177.09122	10.5
179.10643	7.8
181.08554	28.0
191.10568	6.0
199.62592	5.1
205.12245	8.0
359.70685	5.3
429.37332	24.9
447.38321	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71333	1.5
53.03931	6.1
55.01865	8.5
55.05272	2.3
55.05510	27.3
57.03429	11.5
61.02910	1.7
62.24315	1.5
67.05503	67.5
69.03413	5.6
69.07062	14.7
69.42779	1.6
70.03510	6.5
70.03915	2.6
71.01336	3.0
71.04973	5.6
79.05490	58.8
81.03414	87.4
81.07049	41.6
83.04978	15.6
83.08615	23.4
85.02889	2.7
85.06532	5.1
91.04906	2.8
91.05473	44.0
93.07044	56.2
95.04387	2.2
95.04965	41.0
95.08597	20.5
97.02881	3.8
97.06539	10.9
97.10172	16.8
99.04401	1.9
99.08100	2.2
103.05476	3.0
105.04473	1.6
105.07027	33.1
107.04953	12.8
107.08589	31.3
109.06499	5.5
109.10170	10.6
111.04401	2.1
111.08073	10.1
115.05437	3.4
117.07005	15.0
119.04929	3.5
119.08569	24.4
121.06518	11.8
121.10133	12.7
123.08098	5.6
125.09623	9.8
128.06195	3.3
129.07005	18.1
131.04887	4.0
131.08553	20.4
133.06497	7.2
133.10083	9.4
135.08063	4.5
135.11685	36.1
137.09625	3.1
140.18477	1.8
141.06973	3.5
142.07858	3.6
143.08517	9.7
145.06480	12.3
145.10101	14.9
147.08046	8.6
147.11691	9.8
149.02354	2.1
149.09601	9.7
151.11098	2.2
155.08604	3.4
157.06561	1.6
157.10092	14.2
159.08040	2.7
159.11681	5.3
161.09575	4.5
163.11168	11.2
167.08473	3.3
169.10089	3.7
171.11610	4.3
173.09666	2.2
173.13252	2.0
175.11159	9.5
175.14757	1.8
181.10086	2.3
181.12213	5.7
183.11723	5.9
185.09604	2.8
185.13251	8.1
187.11105	2.2
189.11206	3.8
193.12224	28.4
199.11264	3.2
201.12703	4.7
203.14316	5.6
205.12260	4.1
211.11301	2.0
211.13284	2.9
213.12799	3.1
214.07835	1.7
221.13185	1.9
221.86249	1.5
227.12744	1.9
231.13852	2.6
249.14886	5.5
267.15817	1.9
271.87378	1.7
329.21225	10.4
333.94427	1.8
337.21564	9.8
347.22369	2.3
355.22638	17.8
356.22809	2.0
373.23743	6.8
395.65982	1.9
403.24759	10.3
429.26407	12.7
447.27393	100.0
448.27740	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	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.2
51.02368	1.8
53.03944	7.5
54.39368	1.3
55.01875	7.7
55.05511	30.1
57.03437	13.7
57.07066	2.5
59.98792	1.2
62.45646	1.3
65.03924	3.5
67.05504	62.3
69.03419	4.9
69.07071	17.1
69.67774	1.3
70.72933	3.5
71.01344	4.3
71.04991	4.8
76.53262	1.2
79.05492	62.4
81.03418	87.7
81.07053	43.4
81.07533	2.2
83.04980	13.4
83.08617	22.8
85.02882	2.1
85.06535	4.8
91.05480	48.5
91.54968	1.4
92.05819	1.2
93.07043	52.5
95.04377	2.6
95.04964	41.1
95.08068	1.8
95.08611	16.5
97.02898	2.8
97.06525	11.4
97.10165	16.9
103.05460	1.6
105.07030	30.2
107.04964	13.1
107.08591	34.2
109.02845	2.0
109.06493	7.3
109.10136	8.9
111.04449	2.0
111.08080	9.8
113.06034	1.3
115.05446	3.9
117.07014	14.3
119.04903	2.5
119.08580	27.4
121.06502	11.4
121.10129	12.4
123.04535	1.7
123.08079	4.2
123.11702	1.8
125.09650	8.2
128.06187	2.6
129.07004	16.1
131.04948	2.0
131.08560	15.6
133.06458	6.2
133.10135	11.2
135.08054	4.2
135.11685	44.1
137.09605	5.6
141.06987	1.9
142.07820	3.1
143.08562	6.0
145.06509	8.3
145.10123	16.3
147.08040	6.5
147.11703	8.2
149.09660	8.1
151.07474	1.3
153.09050	1.5
153.12680	2.4
155.08583	3.6
157.06490	1.4
157.10144	13.1
159.08028	1.6
159.11710	4.3
161.09674	3.8
161.13286	1.8
163.11179	11.1
165.09085	2.5
165.12712	2.4
167.08502	1.9
169.10181	3.5
171.11717	4.1
173.09674	1.7
173.13326	2.2
175.04021	1.5
175.11198	13.2
175.14786	2.4
177.12659	2.4
181.10132	1.4
181.12247	6.1
183.11710	2.7
183.54935	1.3
185.13287	5.4
187.11209	3.4
189.09064	1.3
189.11180	4.7
193.12248	33.5
195.11823	2.8
199.11266	1.8
199.13171	1.6
199.14900	1.8
201.12743	2.3
203.14273	4.5
205.12177	1.5
209.13304	1.5
213.05458	2.1
213.12860	1.4
215.14304	2.0
219.14035	1.6
225.12653	1.7
227.12708	1.6
231.13806	2.3
249.14883	5.4
253.08516	1.5
257.15317	1.8
311.20050	1.7
327.23242	1.9
329.21133	7.7
337.21689	7.0
345.24774	1.6
347.22208	1.7
355.22702	15.0
373.23685	7.8
403.24823	8.4
429.13135	1.4
429.26016	14.5
447.27390	100.0
448.27731	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	447.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05500	4.1
57.03431	1.3
59.04993	1.4
61.02922	1.5
65.03932	1.1
67.05499	4.9
69.03423	7.9
69.07052	1.0
69.85276	0.8
70.06579	1.6
70.86077	2.4
71.04984	3.9
77.35366	0.8
79.05486	20.9
81.03413	8.6
81.07053	13.7
83.04980	8.1
85.02902	10.7
85.06521	1.1
91.05432	7.5
93.03402	3.5
93.07040	44.0
95.04969	3.5
95.08595	3.7
97.02883	4.5
97.06551	0.9
99.04440	2.5
101.06013	5.8
103.05470	2.0
105.07025	6.6
107.04910	3.0
107.08590	3.5
109.02859	3.7
111.04429	5.6
111.09016	0.9
119.04926	1.2
119.08552	2.3
121.06501	1.3
121.10139	26.5
123.04434	3.3
123.08061	2.3
123.11665	1.7
124.04753	1.0
125.05958	1.6
125.09634	1.3
127.03938	4.7
128.06163	1.0
128.21083	0.8
129.05458	1.4
131.08546	2.8
133.10165	1.8
137.02350	2.1
137.05974	2.0
137.09592	0.9
139.03889	7.1
139.11143	1.6
142.14987	0.9
145.04878	1.0
147.04411	15.4
149.02318	3.2
149.09610	100.0
150.09972	1.6
151.78094	1.1
153.01825	2.5
163.03841	1.3
167.10657	19.5
175.03871	1.2
177.05447	2.7
185.51299	0.9
203.03427	1.3
203.06984	1.1
204.03757	1.2
207.06540	1.0
232.03087	1.3
237.14903	1.3
259.02463	1.1
263.07126	1.5
267.15781	1.0
277.03540	2.1
279.06491	1.9
285.07556	2.4
293.13934	6.3
297.07510	1.5
303.01251	1.6
311.14883	17.2
315.01410	1.8
315.04950	2.2
361.02515	1.4
369.02594	1.1
373.06763	1.2
411.20236	1.0
447.09149	1.8
447.15106	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02877	4.3
52.27680	4.8
53.03925	15.1
54.33812	4.2
55.01862	17.5
55.05494	17.0
57.03433	34.0
59.04994	6.8
61.02923	59.5
67.05503	41.3
69.03428	53.9
69.07047	10.1
70.67140	15.3
71.04979	17.0
73.02908	33.1
73.79812	4.3
75.04498	4.9
77.72793	4.4
78.03424	4.2
79.05492	55.3
81.03416	77.1
81.07053	40.8
83.04982	38.9
83.08609	21.4
85.02902	95.0
85.06515	6.6
87.04469	6.1
91.03957	30.8
91.05451	49.8
93.07042	94.3
93.50896	4.7
95.04947	31.0
95.08605	27.7
97.02888	61.3
97.06539	9.9
98.97563	4.9
99.04423	12.7
101.02354	11.9
101.05991	20.7
103.03889	5.7
105.07024	39.1
106.02911	15.3
107.04939	16.3
107.08604	26.2
109.02874	20.4
109.06512	12.1
109.10140	9.1
111.04433	8.5
111.08057	13.4
113.05979	6.1
115.03916	5.7
115.05453	5.2
116.06232	5.5
117.06925	5.0
118.41345	4.6
118.98290	5.2
119.04934	4.8
119.08577	36.5
121.06429	6.3
121.10143	100.0
123.04440	5.9
123.08070	14.7
123.11695	8.5
124.03967	28.9
125.06003	6.4
127.03913	35.1
129.06978	14.3
131.08556	18.4
133.06497	6.1
133.10126	21.5
135.04413	7.2
137.05977	5.7
139.11172	17.8
145.04945	10.2
145.06528	5.1
147.07925	6.4
147.11644	15.6
149.09625	58.0
151.03920	5.4
153.05522	6.3
157.10109	17.2
167.10643	33.7
169.05055	7.8
174.65663	4.5
175.11200	16.1
186.46593	4.4
193.12231	66.8
203.03387	11.9
211.13332	65.2
250.07040	10.2
267.15927	10.3
268.08121	15.3
285.16949	50.3
327.08694	6.4
394.11185	4.9
429.20633	8.1
447.11172	5.5
447.17368	9.8
447.22659	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	447.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05500	4.1
57.03431	1.3
59.04993	1.4
61.02922	1.5
65.03932	1.1
67.05499	4.9
69.03423	7.9
69.07052	1.0
69.85276	0.8
70.06579	1.6
70.86077	2.4
71.04984	3.9
77.35366	0.8
79.05486	20.9
81.03413	8.6
81.07053	13.7
83.04980	8.1
85.02902	10.7
85.06521	1.1
91.05432	7.5
93.03402	3.5
93.07040	44.0
95.04969	3.5
95.08595	3.7
97.02883	4.5
97.06551	0.9
99.04440	2.5
101.06013	5.8
103.05470	2.0
105.07025	6.6
107.04910	3.0
107.08590	3.5
109.02859	3.7
111.04429	5.6
111.09016	0.9
119.04926	1.2
119.08552	2.3
121.06501	1.3
121.10139	26.5
123.04434	3.3
123.08061	2.3
123.11665	1.7
124.04753	1.0
125.05958	1.6
125.09634	1.3
127.03938	4.7
128.06163	1.0
128.21083	0.8
129.05458	1.4
131.08546	2.8
133.10165	1.8
137.02350	2.1
137.05974	2.0
137.09592	0.9
139.03889	7.1
139.11143	1.6
142.14987	0.9
145.04878	1.0
147.04411	15.4
149.02318	3.2
149.09610	100.0
150.09972	1.6
151.78094	1.1
153.01825	2.5
163.03841	1.3
167.10657	19.5
175.03871	1.2
177.05447	2.7
185.51299	0.9
203.03427	1.3
203.06984	1.1
204.03757	1.2
207.06540	1.0
232.03087	1.3
237.14903	1.3
259.02463	1.1
263.07126	1.5
267.15781	1.0
277.03540	2.1
279.06491	1.9
285.07556	2.4
293.13934	6.3
297.07510	1.5
303.01251	1.6
311.14883	17.2
315.01410	1.8
315.04950	2.2
361.02515	1.4
369.02594	1.1
373.06763	1.2
411.20236	1.0
447.09149	1.8
447.15106	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	447.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01865	9.7
55.05512	28.9
57.03421	8.4
57.07064	2.7
61.02918	3.3
65.03927	8.6
67.05505	44.5
69.03429	16.4
69.07066	24.6
71.01331	2.4
71.04982	6.6
73.02925	2.2
79.05064	4.2
79.05486	37.6
81.03417	31.8
81.07053	51.2
83.04963	10.3
83.08626	11.9
85.02881	5.5
85.06537	7.3
91.05465	41.2
93.06492	3.3
93.07040	43.7
95.04958	20.4
95.08602	36.0
97.02888	6.9
97.06525	22.5
97.10162	19.1
99.04424	2.6
101.02345	2.6
103.05462	4.7
105.07027	41.6
107.04961	15.9
107.08582	30.4
109.02874	30.6
109.06513	12.7
109.10151	30.1
111.04445	7.5
111.08073	6.4
111.11731	3.8
111.47421	2.3
114.13583	2.1
115.05452	6.2
116.44961	1.8
117.06989	14.5
119.04910	4.7
119.08582	41.0
121.02861	31.8
121.06534	12.9
121.10139	21.3
123.04433	2.4
123.08052	8.5
123.11707	11.1
125.09628	14.8
125.52355	2.0
127.03912	8.5
128.06253	6.0
129.06970	14.2
130.07787	3.1
131.04953	6.0
131.08549	21.8
133.06487	8.7
133.10135	22.9
135.08043	8.5
135.11699	18.6
137.05978	6.5
137.09615	9.2
139.03870	3.1
139.11174	5.5
141.05579	2.1
141.07008	5.9
142.07777	3.7
143.08575	14.7
145.06445	10.9
145.10118	22.4
147.04388	19.1
147.08069	13.6
147.11688	14.4
149.02324	18.3
149.09624	8.7
149.13261	6.1
151.07544	9.3
151.11140	3.2
153.05544	2.3
153.07004	5.3
155.08563	6.5
156.09381	3.2
157.06471	9.4
157.10150	13.0
159.08023	6.5
159.11697	23.0
160.05211	6.3
161.06004	8.0
161.09610	5.9
161.13260	9.6
163.03957	5.1
163.11200	9.8
163.14847	3.5
165.01837	4.3
165.06990	3.1
165.09129	5.2
165.12822	4.2
166.07748	3.6
167.03415	2.7
167.08588	2.7
169.06583	3.3
169.10146	8.8
171.08022	5.3
171.11661	11.0
173.05984	9.6
173.09566	5.4
173.13220	11.2
175.03911	62.1
175.07555	7.4
175.11189	8.0
175.14856	6.4
176.04688	50.6
177.05455	9.3
177.09016	2.8
177.12787	4.9
178.07794	4.0
179.08560	9.1
179.10602	3.2
181.04970	3.5
181.06442	17.2
181.10101	4.8
182.07291	3.1
183.11690	7.7
185.06064	4.9
185.13269	8.1
187.11171	3.9
187.14828	7.6
189.05476	23.6
189.09045	6.0
189.12868	5.4
191.10638	4.0
193.12315	10.4
194.07251	2.8
195.11777	2.5
197.06012	5.9
197.09595	2.3
197.13213	3.6
199.07591	6.8
199.11278	2.5
199.14861	4.4
201.05487	3.4
201.09102	3.9
201.12836	4.0
201.16357	3.9
203.03406	6.4
203.07080	14.3
203.14406	3.8
203.18034	3.9
205.12114	4.2
207.08031	6.9
209.05927	11.1
209.09650	5.7
210.06807	6.4
211.07475	5.0
211.11238	3.1
213.05487	30.2
213.12875	2.2
213.16478	3.7
215.14343	2.5
217.08582	82.3
223.07590	3.1
225.05412	9.1
225.09036	4.9
226.06319	5.5
227.07019	8.7
227.14326	2.9
229.08580	11.2
231.06496	6.8
231.08418	3.8
235.07629	5.9
237.09152	3.9
241.08600	5.5
241.15994	3.0
243.10175	6.8
243.21127	7.7
247.07535	7.1
248.08620	2.5
249.09282	4.6
249.14848	2.8
253.08563	34.5
254.09312	4.1
255.10196	34.6
257.22678	6.6
270.05115	2.3
271.09686	10.0
273.11292	7.2
275.07001	5.3
285.09973	2.4
285.22260	7.0
287.07013	11.2
291.06659	3.9
303.06543	17.8
303.23056	4.4
305.08087	7.3
307.06088	4.5
315.06503	9.1
316.07233	3.1
325.08591	5.6
331.05957	26.4
332.06387	3.3
333.07480	18.1
337.21658	8.4
343.05945	7.2
347.05634	3.6
349.06873	12.2
353.08151	9.2
354.08670	4.3
355.22583	9.3
359.05515	3.1
360.06097	2.6
361.06866	4.2
365.11810	3.3
369.07565	4.4
371.09268	8.9
372.10019	2.9
373.23477	3.2
382.08310	6.5
383.12952	2.9
385.10608	3.2
386.07681	3.3
393.11298	8.7
393.28223	2.6
411.12289	31.2
411.24966	5.1
429.13382	43.8
429.25644	15.3
447.14279	100.0
447.27203	63.7
448.14401	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	447.1284
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.48142	0.1
55.01864	0.2
55.05484	0.4
67.05492	0.3
69.03395	0.3
69.07037	0.4
69.64001	0.5
69.64433	0.4
76.17182	0.1
79.05461	0.3
81.03382	0.5
81.07034	0.6
83.04981	0.2
91.05450	0.2
93.07004	0.4
95.04948	0.3
95.08569	0.4
97.10116	0.2
103.05481	0.1
105.03363	1.0
105.07022	0.3
107.08580	0.4
109.02852	0.6
109.06489	0.2
109.10121	0.3
119.08543	0.3
121.10095	0.5
123.08035	0.2
125.09591	0.2
127.03825	0.2
133.10078	0.2
137.02252	0.2
145.10094	0.3
151.07529	0.2
153.01776	0.3
157.10037	0.1
163.11082	0.2
165.09114	0.2
168.05696	0.6
172.05177	0.8
181.04935	0.2
190.13153	0.1
196.05151	0.9
197.05875	0.4
210.01599	0.1
213.05510	1.0
224.04579	0.4
225.05455	0.2
241.04874	0.6
242.05736	4.5
269.04428	23.4
270.05203	36.6
271.05518	1.4
285.07544	100.0
286.04712	0.2
286.07895	3.6
286.10989	0.3
447.12790	0.2
447.27322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Cytisoside
Peak:m/z	Relative Intensity
53.03926	1.2
56.02871	0.7
57.03414	1.4
58.66423	0.6
61.02910	1.8
67.05474	1.1
69.03418	2.3
69.07054	1.0
70.50510	2.7
73.02888	0.9
79.05462	2.2
80.29467	0.7
81.03403	1.9
81.07024	2.4
83.01322	0.7
83.04964	1.2
85.02906	3.7
85.06522	0.7
86.09703	2.6
91.05463	1.8
93.07033	2.5
95.04961	1.6
95.08619	1.3
97.06493	0.9
98.20934	0.9
103.03928	2.6
105.03383	13.1
105.07022	2.0
107.08592	1.7
109.02853	2.2
109.10130	1.1
111.30030	0.7
112.77853	0.8
119.08565	2.2
121.02840	1.2
121.06493	0.9
121.10143	1.8
123.04408	0.9
123.08070	0.9
128.88499	0.7
129.07014	0.8
130.06509	1.6
131.08592	0.9
132.73605	0.8
133.10136	1.3
135.04150	0.7
136.99220	0.7
137.05948	1.4
139.03854	1.3
139.11136	1.2
147.04349	1.9
147.08151	0.8
147.11670	0.7
149.02310	1.0
149.09615	2.1
151.03745	0.8
153.01874	1.3
157.07594	1.5
159.11658	0.9
163.03922	1.1
165.01820	1.3
165.05547	1.6
172.74451	0.8
175.03877	0.9
179.03363	0.8
181.01294	1.8
181.04930	1.3
182.02119	2.8
183.02957	0.8
187.55620	0.8
190.06099	0.8
193.05032	0.8
195.02882	1.6
197.04324	0.8
198.01569	2.1
198.06772	6.1
199.02400	1.0
200.03151	1.2
207.02882	0.8
213.03906	1.6
219.02950	1.0
223.07513	0.9
226.06380	1.2
232.03841	1.0
234.63756	0.9
235.05948	2.3
238.06294	2.1
239.07065	1.7
241.04924	1.9
251.07057	1.9
252.07851	1.8
254.05746	3.8
255.06537	3.7
256.07376	0.9
266.05780	5.6
267.06677	1.9
269.04453	3.1
270.05206	5.7
271.06094	4.3
271.68549	1.0
273.03839	2.0
279.06567	2.0
280.07230	2.2
281.07870	1.2
282.05225	25.4
283.05991	46.0
284.06775	58.1
285.04541	0.8
285.07452	5.8
291.06155	1.0
292.07437	1.0
294.05151	7.9
295.05997	8.9
296.06741	4.8
297.07565	69.8
298.07956	2.6
299.13974	1.0
303.04971	2.0
304.07199	1.2
307.05972	6.5
308.06754	2.8
309.07565	15.7
311.05780	1.3
311.09048	5.4
312.06311	2.0
316.16681	1.0
319.06369	1.3
321.07608	2.7
322.04990	1.1
322.08319	4.6
323.05463	2.1
323.09122	4.6
324.06323	0.8
325.07156	2.3
327.08615	100.0
328.09021	4.2
336.06259	3.4
337.10522	4.2
339.08673	2.0
347.09161	1.4
348.06226	3.0
351.08670	16.7
357.09735	3.1
361.06592	0.9
363.08612	7.9
365.10205	3.4
369.09387	1.5
381.09634	8.2
393.09726	8.3
411.10754	26.2
412.11066	1.1
429.11777	43.8
430.12021	2.2
447.12756	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48565	0.5
53.03937	1.0
55.01854	2.0
55.05497	1.3
55.08494	0.7
56.82293	0.5
59.05019	0.6
59.55882	0.5
62.71487	0.4
63.45263	0.4
63.70210	0.4
65.03930	2.1
67.05504	3.6
68.99783	3.0
69.03416	1.8
69.07066	1.7
69.40051	4.6
71.04989	0.7
79.05492	3.7
81.03410	2.5
81.07057	3.5
83.04978	1.9
85.02896	1.4
85.63663	0.5
91.05468	13.9
93.03391	1.2
93.07042	3.4
95.04967	3.7
95.08585	2.7
97.02854	1.0
97.10148	1.1
99.04418	0.8
103.05464	6.5
105.03391	1.4
105.07002	2.4
107.04957	3.4
107.08566	2.6
109.02869	3.0
109.06512	1.1
109.10146	1.9
111.04456	4.4
115.05401	1.0
117.06991	1.1
119.04933	8.1
119.08572	2.2
121.02859	3.5
121.06506	0.8
121.10131	1.6
123.04433	9.2
123.08051	0.7
123.11684	1.2
125.09639	1.0
127.03893	1.6
129.06969	0.6
131.04930	8.0
131.08531	1.0
132.05692	0.8
133.02858	1.8
133.06448	0.7
133.10118	1.0
134.03604	2.7
135.04385	2.8
135.11700	0.7
137.05945	0.8
137.09595	0.7
139.03896	73.5
139.11209	0.8
141.06976	0.9
145.10123	2.0
147.04399	38.1
147.11705	0.8
149.02345	2.2
149.05904	0.8
149.09610	1.1
150.03160	0.9
151.03889	5.0
151.07495	0.6
152.06268	0.7
153.01889	0.8
153.05412	0.8
157.10124	1.1
159.04433	4.4
159.08058	0.7
159.11665	0.8
160.05196	6.6
161.05952	1.0
161.09581	0.6
163.03897	66.4
163.11212	0.8
165.07036	2.5
167.08560	1.6
171.04424	1.1
171.11664	1.0
173.05998	0.7
175.03903	11.8
175.07542	0.6
176.04678	2.0
177.05476	0.9
178.07822	1.5
179.03360	0.8
179.08478	2.5
181.04932	1.5
181.06467	1.3
183.08136	0.7
187.03894	1.7
189.05487	0.9
189.07016	1.7
190.07793	0.8
190.49083	0.6
191.03386	0.9
191.08707	0.6
195.08066	2.0
197.05954	1.2
200.04626	0.6
203.14249	0.6
205.06575	1.3
207.08041	3.5
210.06664	0.7
211.07527	1.4
213.05450	0.8
217.06558	0.6
218.07253	1.2
219.08012	1.3
221.05975	2.0
223.07466	2.5
225.05440	1.3
226.06349	0.7
229.05006	1.8
230.14699	0.5
233.05930	1.3
234.06735	0.9
235.07549	5.1
237.05458	1.3
238.06297	1.2
239.07034	5.0
241.05040	0.6
243.06567	1.0
245.06183	0.7
247.07568	2.0
249.05376	0.9
250.06303	0.9
251.07100	3.9
253.08536	1.9
255.06470	0.8
261.05490	0.8
262.06293	0.7
263.07028	15.3
266.05746	1.0
267.06503	2.2
271.05777	2.5
275.07056	2.1
279.06516	23.0
279.09579	1.2
280.07104	1.5
281.08078	9.7
283.06015	0.6
285.12421	0.8
289.08948	0.7
291.06543	1.5
293.08078	1.3
295.06006	0.8
297.07501	3.7
301.03555	1.1
301.07037	20.7
303.05148	3.6
303.06253	3.2
309.07544	24.5
317.07990	1.0
321.07565	4.1
335.09372	0.7
345.07538	1.3
363.08600	0.9
371.07706	0.5
403.08054	4.7
411.08096	0.7
429.09647	1.5
447.10730	100.0
447.27417	1.9
448.10822	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11031	0.4
53.03944	3.0
55.01862	0.6
57.03419	1.0
67.05474	0.5
69.03426	2.6
71.01331	0.7
71.04987	0.9
73.02917	1.9
79.05470	0.6
81.03417	6.3
85.02905	2.1
91.05423	0.5
97.02900	4.8
99.00805	0.8
99.04424	1.6
103.05453	1.2
107.08607	0.4
109.02870	7.5
112.95101	0.5
113.02351	0.7
115.03946	0.7
119.04889	0.5
127.03918	10.8
129.03357	0.5
131.04941	0.8
133.04913	0.6
145.02730	0.6
145.04956	0.8
147.04401	2.2
149.02292	0.5
153.01782	1.6
153.50951	0.4
157.02911	1.9
163.03923	0.7
163.06024	0.5
170.40416	0.4
173.02362	1.4
175.03903	2.5
185.02328	2.1
187.03879	4.9
191.03410	1.2
201.01822	2.2
203.03391	4.9
213.01823	4.9
215.03363	4.4
219.02869	1.4
229.01363	2.0
230.02116	0.7
231.02881	22.7
232.03192	0.7
241.01262	4.2
243.22302	0.4
247.02412	3.0
257.00827	3.1
259.02374	35.0
260.02826	1.6
261.03912	0.7
269.04333	0.6
270.93661	0.4
275.01849	5.2
276.02661	5.0
277.03424	100.0
278.03754	3.2
285.00388	2.9
289.03448	0.7
303.01349	35.3
304.01620	1.2
311.05338	0.6
315.01300	0.6
321.02231	0.8
355.04642	0.5
357.06372	0.6
385.05466	0.5
447.05551	3.5
447.11429	0.5
447.18256	1.7
450.54425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78454	13.6
54.11848	13.0
56.05036	16.8
66.92993	16.3
67.05515	25.9
69.03422	46.5
69.07057	13.3
70.06583	44.7
71.04992	34.2
71.11755	23.9
73.04757	19.3
79.05491	32.7
81.07046	38.2
83.04983	43.8
85.02912	70.7
86.06052	100.0
87.98248	11.7
91.05466	72.1
91.05882	28.5
92.05778	16.0
93.07058	37.0
95.04962	23.9
95.08601	16.9
97.02882	57.4
101.06004	18.0
107.04950	15.3
107.08613	16.3
109.02894	19.3
112.07618	20.2
114.05460	18.8
115.03915	19.3
117.07033	19.2
121.10149	52.7
123.04430	58.2
127.03926	30.1
133.04999	15.3
134.09688	26.5
135.08089	17.0
137.05940	16.9
139.03856	18.6
139.11127	18.3
145.04959	17.5
147.04414	20.7
149.05974	20.3
149.09596	15.0
150.09116	23.4
152.07053	23.8
163.03951	14.2
165.05292	17.2
167.05544	18.9
176.09193	31.7
177.05455	98.0
250.10765	16.0
267.18100	26.7
284.09116	17.7
284.14877	16.6
303.01251	23.0
329.10223	25.4
360.02899	28.5
402.15182	19.9
421.10925	13.6
428.48166	14.1
446.20364	29.7
447.18341	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01860	4.0
55.05512	16.2
57.03411	3.6
57.07068	11.0
60.75922	3.0
67.05502	22.0
69.03415	3.8
69.07063	27.3
70.06599	6.7
71.26443	6.1
72.42738	3.5
79.05501	23.0
81.03418	5.5
81.07053	32.0
83.05002	3.5
83.08604	10.4
88.07624	4.2
89.39697	2.9
91.05489	18.7
93.07034	39.2
95.04983	5.9
95.08597	46.8
97.06554	4.2
97.10144	11.9
102.09198	6.7
104.54100	3.0
105.07021	29.7
107.08582	57.5
109.06535	3.4
109.10143	31.2
117.07000	9.4
119.08566	31.4
121.06535	2.9
121.10146	37.6
123.11693	9.1
125.09618	6.2
129.06999	6.2
131.08577	19.5
133.10126	30.7
135.08054	3.9
135.11668	33.0
139.11160	8.5
143.08505	10.2
145.10109	21.1
147.08076	3.4
147.11694	20.4
149.13272	12.4
153.12703	8.6
155.08580	5.8
157.10136	7.7
159.11703	20.7
160.07880	6.7
161.09604	3.7
161.13200	7.9
163.14795	26.2
164.15060	3.8
165.09090	3.6
171.11714	8.1
173.13260	10.2
175.14769	8.8
177.16394	6.6
181.04854	3.3
181.15900	20.4
185.13248	6.8
187.14764	17.2
189.16403	8.5
191.17912	6.8
201.16362	35.2
203.17981	27.7
205.15877	4.8
207.17479	4.2
213.16418	5.7
215.17889	3.2
216.14168	45.0
219.17422	36.3
225.16422	3.8
227.17935	9.5
237.18364	18.3
239.17821	3.7
256.26364	38.8
267.20975	3.7
283.24155	5.8
353.24661	8.4
359.02902	3.2
391.33456	13.4
409.34647	100.0
410.34653	5.4
421.31738	3.3
427.35794	19.9
445.29410	19.7
445.36438	13.3
464.17654	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	445.3675
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03948	2.9
55.05513	13.9
57.03438	14.5
57.07077	26.8
57.11440	1.7
67.05508	22.5
68.66987	1.8
69.07066	20.0
71.05003	10.5
71.08624	7.0
71.52616	2.9
73.04762	6.3
76.14250	1.8
77.86646	1.7
79.05486	10.3
81.07057	47.7
83.04972	6.1
83.08624	13.6
84.08046	1.8
85.10184	8.5
88.01770	1.8
88.02211	11.4
91.05870	16.7
92.82094	1.8
93.07050	10.3
95.08608	63.2
97.06531	67.7
97.10167	15.4
105.07024	10.3
107.08598	8.8
109.06520	56.5
109.10153	51.9
109.10847	3.7
111.11741	2.0
114.07366	3.4
119.08578	7.8
119.99378	2.0
120.67580	1.7
121.06503	3.2
121.10185	8.6
123.08108	8.0
123.11734	5.8
127.11185	15.8
131.08594	6.3
133.10103	9.1
135.11694	4.7
137.09653	3.7
137.13246	60.2
137.14255	3.5
145.10162	9.3
147.11687	5.6
149.09680	2.3
151.90439	1.8
155.11884	2.2
155.14287	16.1
157.10201	3.4
159.11682	9.1
161.13275	4.4
163.11176	2.6
163.14880	2.9
167.05618	8.7
169.08618	2.0
171.11731	3.5
173.13289	5.8
173.15405	3.2
175.14883	5.0
177.12822	2.4
181.04961	4.0
187.14841	2.4
189.12730	2.6
199.14906	2.4
201.16431	2.2
203.18063	3.1
213.16190	2.0
215.18103	2.7
243.21237	3.9
255.20998	8.8
271.20572	10.8
273.22125	15.5
299.23981	3.7
313.28986	3.1
359.02881	10.8
360.03354	2.3
409.34778	3.6
411.00586	2.0
427.35971	6.3
445.36850	100.0
446.37167	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
50.05807	3.6
55.05511	33.4
57.07071	29.2
67.05505	38.0
69.07070	68.2
69.19846	36.9
71.05004	5.3
71.08632	27.6
79.05480	23.6
81.07053	77.8
83.08621	32.7
85.06559	6.0
85.10177	20.5
86.44153	4.6
91.05462	26.6
93.07043	45.9
95.02853	3.7
95.08609	100.0
96.07744	3.6
96.08932	4.6
97.06497	4.4
97.10156	21.8
105.07023	54.8
107.08585	72.1
109.06480	8.6
109.10159	57.6
111.08126	4.0
111.11704	17.7
113.09675	6.3
117.07033	9.3
119.08578	49.6
121.10157	44.6
123.08117	4.1
123.11710	24.9
125.13280	5.8
129.07040	4.5
130.35765	4.4
131.08574	34.9
133.10124	46.0
135.08081	5.3
135.11678	39.7
137.09625	5.3
137.13202	7.7
139.07507	4.8
140.88789	3.9
143.08583	13.5
145.10106	35.9
147.11685	54.6
149.09622	8.3
149.13257	21.2
155.07045	15.4
157.10130	13.6
159.11696	25.5
161.09621	5.7
161.13283	17.7
163.11179	8.4
163.14845	13.8
165.09091	57.1
171.11725	11.4
173.13275	15.2
175.14836	14.1
177.09091	8.3
177.16409	15.1
179.10648	5.1
185.13278	12.6
187.14857	14.0
189.16411	14.9
191.10638	10.0
199.14926	7.0
201.16403	10.5
203.17955	8.0
205.12256	10.7
213.16463	4.2
217.19615	5.8
217.93272	4.4
227.18001	5.8
228.69637	4.4
231.21120	6.0
233.15309	5.1
235.24200	3.9
245.15395	11.2
247.24416	5.2
259.16711	4.1
261.25699	7.3
263.16608	4.4
264.24582	3.9
273.18539	4.7
273.25851	4.6
287.19940	8.8
287.27560	4.2
305.21136	4.8
341.32074	7.7
343.33636	23.6
409.34668	9.5
427.35693	59.1
428.36002	5.2
445.20166	11.7
445.36771	73.1
446.36819	4.4
456.82773	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.2
55.05514	13.3
57.02303	0.9
57.07070	5.6
58.18576	1.0
62.53479	1.0
64.97351	1.1
67.05502	6.9
69.06741	1.3
69.07070	18.5
70.98008	0.9
71.08612	2.8
71.22696	1.9
71.23033	1.1
73.92638	0.8
75.21754	0.9
77.81162	0.9
79.05489	2.6
79.42390	0.9
80.81734	1.1
81.06657	1.0
81.07061	10.0
83.04974	1.0
83.08611	9.4
91.05451	2.2
93.07032	4.7
95.04932	1.2
95.08584	8.4
97.10159	5.1
105.07050	1.8
107.08588	4.6
109.10156	8.0
111.11679	1.5
114.95253	1.2
119.08571	4.1
121.06468	3.7
121.10109	3.4
122.07302	1.9
123.11702	2.3
125.05978	1.0
126.19517	1.1
131.08559	1.0
133.10112	2.2
135.08018	3.8
135.11665	2.3
136.08830	2.7
137.09612	13.8
139.07544	2.5
145.10133	1.6
147.11693	2.1
149.09602	9.0
149.13260	1.8
151.07532	1.7
159.11700	1.5
161.09608	1.6
163.11162	7.0
164.08339	7.6
165.09109	100.0
166.09479	2.0
175.11189	2.8
176.08310	1.5
177.09100	5.8
177.12784	1.3
179.10744	1.2
187.11143	1.2
189.09116	4.4
189.12720	1.8
190.09932	1.3
191.10669	5.9
193.15756	1.1
199.11160	2.2
201.12714	1.3
203.10666	4.1
203.14323	1.4
205.12296	7.9
225.64839	1.0
239.83827	1.1
315.63538	1.1
427.35608	2.3
428.36383	6.3
445.19662	1.5
445.36844	5.3
446.37582	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.2
55.05514	13.3
57.02303	0.9
57.07070	5.6
58.18576	1.0
62.53479	1.0
64.97351	1.1
67.05502	6.9
69.06741	1.3
69.07070	18.5
70.98008	0.9
71.08612	2.8
71.22696	1.9
71.23033	1.1
73.92638	0.8
75.21754	0.9
77.81162	0.9
79.05489	2.6
79.42390	0.9
80.81734	1.1
81.06657	1.0
81.07061	10.0
83.04974	1.0
83.08611	9.4
91.05451	2.2
93.07032	4.7
95.04932	1.2
95.08584	8.4
97.10159	5.1
105.07050	1.8
107.08588	4.6
109.10156	8.0
111.11679	1.5
114.95253	1.2
119.08571	4.1
121.06468	3.7
121.10109	3.4
122.07302	1.9
123.11702	2.3
125.05978	1.0
126.19517	1.1
131.08559	1.0
133.10112	2.2
135.08018	3.8
135.11665	2.3
136.08830	2.7
137.09612	13.8
139.07544	2.5
145.10133	1.6
147.11693	2.1
149.09602	9.0
149.13260	1.8
151.07532	1.7
159.11700	1.5
161.09608	1.6
163.11162	7.0
164.08339	7.6
165.09109	100.0
166.09479	2.0
175.11189	2.8
176.08310	1.5
177.09100	5.8
177.12784	1.3
179.10744	1.2
187.11143	1.2
189.09116	4.4
189.12720	1.8
190.09932	1.3
191.10669	5.9
193.15756	1.1
199.11160	2.2
201.12714	1.3
203.10666	4.1
203.14323	1.4
205.12296	7.9
225.64839	1.0
239.83827	1.1
315.63538	1.1
427.35608	2.3
428.36383	6.3
445.19662	1.5
445.36844	5.3
446.37582	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
53.58718	3.5
55.01870	6.1
55.05504	7.4
63.55722	4.3
65.03930	4.1
67.05499	15.7
69.03419	17.9
69.07055	13.6
71.04973	4.5
71.50754	4.1
71.51095	5.5
73.04741	14.2
79.05499	19.9
81.03419	9.0
81.07057	25.5
83.04967	14.4
83.08663	5.5
85.02898	17.1
85.06542	9.6
87.04452	3.9
91.05470	32.3
91.05881	13.0
93.07037	21.1
95.04966	12.2
95.08603	17.2
97.02897	7.1
97.06528	13.9
99.04456	9.4
105.07044	19.5
107.08596	19.9
109.02853	10.1
109.06522	14.2
109.10144	9.4
111.04455	10.3
111.08073	10.2
119.04921	32.8
119.08584	15.3
121.02896	8.5
121.06543	20.8
121.10113	16.7
123.08063	5.6
125.09610	7.0
127.03926	10.4
131.04922	8.4
131.08592	8.0
133.10170	10.6
135.08028	7.7
135.11693	4.5
137.05956	24.2
139.03865	5.7
139.07506	5.9
145.10129	9.3
147.04404	28.1
147.10675	4.4
147.11697	18.2
149.09601	8.6
155.05975	4.6
157.10097	7.8
161.21120	4.3
165.12756	5.1
167.05579	11.3
167.07037	13.5
167.10580	4.6
169.07680	6.1
169.12228	11.5
175.03929	42.8
175.11169	9.2
177.05415	4.5
181.11986	5.6
187.07524	5.0
189.12732	7.9
193.12262	11.4
195.05460	6.8
197.07198	4.8
197.11754	5.5
198.04469	5.4
203.08365	4.6
207.06552	100.0
211.13287	11.5
217.06821	6.5
217.08632	15.0
217.12117	20.2
225.06801	4.8
235.13280	15.0
247.09677	4.2
253.14380	19.5
254.05722	8.1
261.09058	5.2
265.14331	8.3
267.07590	4.6
269.08057	25.6
271.06842	4.4
283.15536	4.6
285.08499	6.5
287.05530	8.4
293.04446	13.8
295.07028	11.8
299.05527	9.6
309.11185	5.2
313.08020	9.1
341.13867	8.0
353.13916	6.4
359.02737	17.3
367.62234	4.6
377.80917	4.3
385.11111	6.1
409.18744	5.8
410.09790	5.6
427.12598	5.8
427.19888	5.8
445.08444	8.4
445.13867	15.6
445.19711	9.1
445.25290	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	445.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05504	6.4
57.03437	2.6
57.34519	1.1
67.05506	11.5
69.03425	2.6
69.07065	4.4
71.04989	2.3
71.51629	1.3
71.52003	1.6
79.05492	11.6
81.03407	8.0
81.07058	12.1
81.36235	1.2
83.08626	3.4
91.05484	6.7
91.05874	1.9
93.07037	8.0
95.04951	2.6
95.08606	8.6
97.02895	1.8
97.06537	3.0
97.10162	1.4
105.07038	10.4
107.04946	6.6
107.08604	7.5
109.06519	3.5
109.10138	3.5
117.07018	4.0
119.08595	10.1
121.02874	8.5
121.06502	5.1
121.10138	4.8
123.08054	1.9
125.09634	2.6
129.06969	2.7
131.04938	2.0
131.08601	6.8
133.06500	1.9
133.10127	4.8
135.08040	2.2
135.11690	3.1
143.08600	2.9
145.10106	5.9
147.08034	3.5
147.11713	2.6
149.09634	1.6
149.13326	2.4
157.10172	1.7
159.11688	2.4
161.05988	1.2
161.09641	2.1
161.13284	2.1
163.11168	2.2
167.05592	2.3
167.08545	1.4
171.11603	2.4
175.14812	1.8
181.04962	2.7
181.10104	1.4
185.13184	1.4
187.03906	1.2
187.14796	1.3
189.07019	2.5
191.10588	1.6
200.03300	1.4
205.06525	2.9
217.06555	2.2
219.13800	10.1
221.05969	2.4
231.56653	1.3
232.35358	1.3
233.05856	2.8
235.07526	3.2
245.05901	5.9
247.07536	2.8
251.06898	2.0
263.07016	30.0
263.09567	1.1
264.07330	1.5
265.04950	1.8
273.05460	35.6
274.06003	3.4
279.06552	12.7
289.04904	2.2
291.06476	11.9
301.04880	3.2
302.05667	4.2
303.06622	6.0
307.05981	30.4
308.06631	2.8
319.06000	100.0
320.06335	5.3
329.08167	1.6
330.05423	1.4
331.05969	7.9
335.05612	2.2
338.09570	1.4
347.05505	63.3
348.05875	4.6
351.06332	2.1
351.10184	1.8
353.07733	1.4
353.11807	1.7
353.21063	1.7
353.24985	2.3
355.09512	1.6
359.02759	2.4
363.09961	2.4
368.06833	2.9
369.07510	3.7
370.08282	2.4
371.08969	1.5
372.05746	1.8
373.10776	2.2
379.09613	2.6
381.11331	4.8
383.08829	3.9
391.09619	3.2
397.10687	4.7
398.07809	2.4
399.12302	5.7
401.09778	2.0
409.10675	6.7
427.11948	7.4
427.28088	2.6
445.13062	3.6
445.25430	7.6
445.29980	5.9
445.35776	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	445.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05504	6.4
57.03437	2.6
57.34519	1.1
67.05506	11.5
69.03425	2.6
69.07065	4.4
71.04989	2.3
71.51629	1.3
71.52003	1.6
79.05492	11.6
81.03407	8.0
81.07058	12.1
81.36235	1.2
83.08626	3.4
91.05484	6.7
91.05874	1.9
93.07037	8.0
95.04951	2.6
95.08606	8.6
97.02895	1.8
97.06537	3.0
97.10162	1.4
105.07038	10.4
107.04946	6.6
107.08604	7.5
109.06519	3.5
109.10138	3.5
117.07018	4.0
119.08595	10.1
121.02874	8.5
121.06502	5.1
121.10138	4.8
123.08054	1.9
125.09634	2.6
129.06969	2.7
131.04938	2.0
131.08601	6.8
133.06500	1.9
133.10127	4.8
135.08040	2.2
135.11690	3.1
143.08600	2.9
145.10106	5.9
147.08034	3.5
147.11713	2.6
149.09634	1.6
149.13326	2.4
157.10172	1.7
159.11688	2.4
161.05988	1.2
161.09641	2.1
161.13284	2.1
163.11168	2.2
167.05592	2.3
167.08545	1.4
171.11603	2.4
175.14812	1.8
181.04962	2.7
181.10104	1.4
185.13184	1.4
187.03906	1.2
187.14796	1.3
189.07019	2.5
191.10588	1.6
200.03300	1.4
205.06525	2.9
217.06555	2.2
219.13800	10.1
221.05969	2.4
231.56653	1.3
232.35358	1.3
233.05856	2.8
235.07526	3.2
245.05901	5.9
247.07536	2.8
251.06898	2.0
263.07016	30.0
263.09567	1.1
264.07330	1.5
265.04950	1.8
273.05460	35.6
274.06003	3.4
279.06552	12.7
289.04904	2.2
291.06476	11.9
301.04880	3.2
302.05667	4.2
303.06622	6.0
307.05981	30.4
308.06631	2.8
319.06000	100.0
320.06335	5.3
329.08167	1.6
330.05423	1.4
331.05969	7.9
335.05612	2.2
338.09570	1.4
347.05505	63.3
348.05875	4.6
351.06332	2.1
351.10184	1.8
353.07733	1.4
353.11807	1.7
353.21063	1.7
353.24985	2.3
355.09512	1.6
359.02759	2.4
363.09961	2.4
368.06833	2.9
369.07510	3.7
370.08282	2.4
371.08969	1.5
372.05746	1.8
373.10776	2.2
379.09613	2.6
381.11331	4.8
383.08829	3.9
391.09619	3.2
397.10687	4.7
398.07809	2.4
399.12302	5.7
401.09778	2.0
409.10675	6.7
427.11948	7.4
427.28088	2.6
445.13062	3.6
445.25430	7.6
445.29980	5.9
445.35776	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	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46718	3.0
59.63012	2.9
61.02908	2.9
69.03423	4.5
69.84374	17.5
69.84699	3.9
70.06596	3.8
76.98623	3.4
85.02903	8.2
86.06045	10.3
97.02894	4.2
98.97573	4.1
119.01866	4.0
127.03873	5.2
152.05672	3.3
160.07610	20.5
173.03075	4.2
173.09311	4.9
245.11357	6.9
252.68987	3.6
263.46271	3.2
367.24304	3.6
403.01883	3.7
445.11090	100.0
445.20068	5.1
446.11432	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	444.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52305	0.6
51.22726	0.6
53.79152	0.6
55.01857	0.8
55.05495	1.3
57.02430	0.7
57.03424	0.7
62.27968	0.7
65.19601	0.6
65.31352	0.5
66.54850	0.6
67.04622	0.7
67.05501	1.3
69.03426	0.8
69.07043	1.1
70.93765	0.6
79.05469	1.3
81.07050	1.5
85.02901	0.9
85.06499	0.9
86.59804	0.6
93.07031	1.9
95.04945	0.9
95.08612	1.3
105.07024	2.1
107.08595	1.5
107.15025	0.6
109.02858	0.9
109.10143	1.5
112.25735	0.7
119.08550	0.9
120.08885	0.8
121.10155	1.4
123.04459	0.9
129.06999	0.8
133.10158	1.3
135.07979	0.7
140.04948	2.0
145.10025	0.6
149.09669	1.0
151.69339	0.7
153.01805	1.0
154.06480	1.3
155.06032	16.1
165.09090	1.9
166.06473	1.0
167.06021	3.5
168.06844	3.1
169.07610	31.0
170.05995	2.7
179.06038	11.2
180.06668	0.8
181.07562	2.0
182.06046	1.8
182.08411	1.4
183.05547	17.7
183.09146	1.5
184.07549	1.1
185.07106	8.4
193.07616	9.4
194.06049	2.3
195.05533	22.3
196.06302	13.9
197.07101	23.0
198.05478	6.8
201.06589	2.0
202.59248	0.7
207.05486	5.3
208.06271	1.2
209.07167	3.0
210.07816	0.9
211.05035	2.1
211.08664	4.2
213.06590	20.5
221.07100	17.7
222.07980	1.1
223.05042	2.0
225.06580	42.4
226.07071	1.3
227.08186	1.3
229.06081	18.4
237.06482	4.1
238.07309	4.3
239.04623	3.9
239.08150	26.7
241.06059	3.2
243.07646	7.2
247.16953	1.0
249.06584	6.6
252.07710	0.8
253.06096	8.1
255.07623	2.8
257.05560	5.5
265.06094	2.0
266.06808	0.8
267.07648	14.8
268.07724	0.8
269.05569	2.8
270.08762	0.8
271.07117	28.3
277.06058	9.7
283.07080	0.8
285.08673	25.9
286.09045	1.2
294.08755	1.0
295.07120	32.4
296.07602	1.0
297.98181	0.7
312.09702	2.5
313.08173	24.7
313.11823	1.2
314.08682	1.3
320.13748	1.0
330.10864	0.8
331.09244	5.3
338.14935	10.1
362.14954	1.8
380.11316	0.8
380.16040	15.1
381.16324	1.1
384.15491	39.8
385.15988	2.2
398.17096	35.3
399.17316	1.5
426.16565	36.8
427.16840	2.1
444.17661	100.0
445.18100	6.9
445.24530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03944	3.2
55.01871	0.5
55.05505	0.2
57.03427	1.2
61.87273	0.2
66.26086	0.3
69.03427	8.5
69.93790	1.1
71.05002	1.0
73.02923	0.6
78.03452	12.1
79.04249	0.3
79.05479	0.6
80.05015	2.4
81.03416	19.3
81.07022	0.4
85.02905	5.4
88.50901	0.2
91.05488	0.3
93.07046	0.5
93.12524	0.2
95.04984	0.6
95.08620	0.5
96.04482	3.9
97.02892	5.5
97.06530	0.2
98.20811	0.3
99.04449	3.0
103.05467	0.9
106.02911	47.0
107.03261	0.5
107.04955	2.4
109.02875	12.9
118.35544	0.2
119.06064	0.5
121.02877	0.4
121.06494	0.6
122.09587	0.2
123.08051	0.3
124.03947	100.0
125.04259	1.1
127.03903	6.5
128.10654	0.3
131.04921	1.9
135.04422	0.7
140.10689	0.9
145.04961	0.6
149.05974	2.4
158.06107	0.2
159.04416	0.3
159.90248	0.2
166.05009	0.9
173.06036	0.3
177.05464	25.1
178.05917	0.3
189.05475	0.3
196.06078	0.8
201.05473	0.5
202.04988	0.2
208.06009	0.4
211.07597	0.2
213.05539	0.3
214.46283	0.2
226.07108	1.4
239.07263	0.2
250.07106	27.4
251.07468	0.5
267.06610	0.8
268.08148	46.4
269.08450	1.0
282.07925	0.2
285.07480	0.4
408.10767	0.5
426.11707	0.4
444.12885	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05497	9.8
57.07059	4.3
59.68822	3.2
67.05506	23.3
69.07076	21.0
70.18114	13.8
72.22052	3.0
78.45660	3.6
79.05485	11.8
81.07043	44.5
83.08607	14.9
85.06496	3.4
91.05492	12.4
93.07037	35.6
95.04987	3.9
95.08604	100.0
97.10162	12.3
105.07004	27.0
105.23009	3.8
107.08591	64.5
109.10154	66.1
111.11730	4.7
119.08579	36.0
121.09329	6.5
121.10141	62.6
123.11679	21.5
125.09622	6.2
128.63469	3.2
131.08575	7.5
133.10121	26.1
135.11684	42.2
137.13271	10.0
139.11171	6.6
145.10129	5.3
147.11702	26.1
149.13243	20.3
151.11171	5.9
159.11659	8.2
161.13243	22.1
163.14809	31.3
165.12801	3.9
173.13231	5.8
175.14822	10.1
177.16405	24.7
179.14339	4.1
185.13255	3.1
187.14774	4.6
189.16351	11.7
191.17946	89.0
201.16382	3.7
203.17914	26.9
205.19490	6.6
207.17358	6.3
215.17885	4.7
217.19514	34.5
219.20976	4.3
221.19043	14.1
229.19392	3.9
233.19014	3.8
235.20547	38.0
292.89099	3.5
329.28360	4.4
367.09802	3.7
372.73901	4.2
376.53314	3.6
395.36804	6.2
413.37836	7.5
425.37991	21.4
443.33789	6.3
443.38544	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	443.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36052	5.4
55.05499	18.3
59.05013	6.7
67.05506	34.5
69.07069	32.2
69.58732	41.3
71.01321	8.7
72.38741	6.2
76.85848	5.7
79.05473	26.2
81.03397	17.2
81.07046	55.6
83.04998	6.3
83.08604	17.7
85.02905	16.0
91.05453	25.6
93.07042	45.5
95.01344	7.7
95.04958	11.8
95.08606	100.0
97.06527	9.0
97.10188	11.3
105.07022	45.7
107.08590	66.7
109.06480	8.2
109.10153	59.2
111.08045	7.1
114.01870	5.7
119.08567	44.3
121.10172	48.2
123.11685	19.4
123.31808	6.0
129.06963	11.0
131.08559	12.3
133.10150	31.7
135.11694	38.4
137.13213	8.6
141.01797	12.0
145.10117	19.6
147.11699	34.8
149.13274	24.6
157.10144	13.1
159.11696	17.5
161.13242	24.3
163.14781	29.3
165.12836	7.2
175.11217	11.4
175.14789	18.0
177.16380	23.8
179.14275	6.3
187.14809	8.6
189.16328	17.0
191.17964	48.7
193.12247	15.0
201.16505	7.1
203.17931	20.9
205.19424	12.6
211.13286	22.4
217.19530	31.6
221.19238	6.5
233.19109	8.4
235.20505	14.7
237.04788	6.4
267.16010	7.0
394.23071	7.0
395.36319	7.6
425.38153	29.2
443.18893	14.7
443.33804	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.388
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
50.25481	1.8
50.85694	1.8
53.03930	3.0
55.05505	15.5
57.03429	2.6
57.07072	5.1
58.01267	1.9
67.05499	29.1
69.07069	23.8
69.50101	11.6
71.05003	1.9
79.05491	15.5
79.24306	1.9
81.07045	53.6
83.08603	10.6
85.06543	2.0
91.05481	12.4
93.07032	44.9
95.08601	100.0
97.10181	10.3
98.21465	3.7
105.07018	32.4
107.08586	67.9
107.09311	3.9
109.10148	70.2
111.08067	2.5
111.11705	3.3
119.08575	37.4
121.10137	57.7
123.08052	2.6
123.11696	24.5
125.09632	6.8
131.08556	6.0
133.10120	32.5
135.11671	38.6
137.09547	2.1
137.13228	5.8
139.11191	2.1
145.10143	9.5
147.11679	27.4
149.13245	35.9
153.12790	2.2
157.10091	3.0
159.11682	10.7
161.13222	22.6
163.14824	45.4
165.12808	2.0
171.11594	2.1
173.13283	7.4
175.14854	16.2
177.16368	28.2
179.14339	7.8
187.14798	11.5
189.16417	15.8
191.17928	58.9
201.16371	6.5
203.17937	33.7
205.15945	3.4
205.19525	12.0
207.17447	8.2
215.17973	7.8
217.19478	43.5
219.17577	2.1
219.21092	3.2
221.18994	12.1
229.19458	4.0
231.20959	4.2
233.19087	3.9
235.20586	21.7
237.39813	2.3
243.21217	2.7
245.22629	4.1
247.20494	2.5
269.04031	1.9
277.24808	2.2
309.09042	3.0
329.28265	3.4
353.08121	4.5
355.09552	2.4
365.08090	3.7
373.42023	2.1
379.09537	4.0
381.07562	7.1
395.36636	7.3
397.10727	2.8
399.08557	11.8
407.09079	7.8
407.37000	5.1
408.10071	2.7
413.37973	9.5
425.10205	7.4
425.38037	27.5
443.10867	2.4
443.29123	1.9
443.34872	8.8
443.39523	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	443.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.05510	6.1
57.03419	1.0
57.07068	2.8
67.05505	13.9
67.37612	0.9
69.07067	9.9
70.04236	1.4
70.04633	2.5
71.04969	1.6
71.82113	0.7
76.96591	0.9
79.05495	9.2
81.07053	30.9
83.04970	1.6
83.08625	6.3
85.06537	0.9
87.15910	1.1
91.05479	8.0
93.07042	19.1
95.04949	1.5
95.08606	45.0
97.06532	2.4
97.10156	4.3
99.08086	1.1
102.04673	0.8
105.07027	17.4
107.07890	1.8
107.08597	32.9
109.06506	5.0
109.10154	28.1
111.08067	2.6
111.11719	1.2
111.26049	0.7
117.07009	3.6
119.08587	21.8
121.06494	1.4
121.10149	27.6
122.10497	1.3
123.04434	1.1
123.08060	3.6
123.11700	9.8
125.09602	2.5
129.07024	2.9
131.07716	1.3
131.08574	11.7
133.09143	1.0
133.10144	16.0
135.08069	4.2
135.11693	12.9
137.06075	0.9
137.09618	1.1
137.13249	5.4
139.11140	1.0
141.07034	0.9
143.08539	4.1
145.10124	18.8
147.11693	19.9
149.09662	2.1
149.13249	15.6
151.11232	1.5
155.08582	1.6
157.10135	4.9
158.10846	0.9
159.11700	10.2
161.09599	1.4
161.13272	9.7
163.11191	3.0
163.14807	16.0
165.09142	1.0
165.12682	1.3
169.10155	1.5
171.11726	3.2
173.13286	6.3
175.14793	6.9
177.16388	14.8
179.14346	2.0
179.17995	1.3
181.05003	1.0
183.11636	0.9
185.13245	2.9
187.14822	23.0
189.16345	6.6
191.14296	1.7
191.17960	9.7
193.15752	1.0
199.14801	3.1
201.16380	10.2
203.14380	1.0
203.17975	6.9
205.15880	64.9
206.16183	2.1
211.14854	1.3
213.16290	2.2
215.17909	5.0
217.15796	1.1
217.19548	5.3
219.17480	2.8
221.18987	1.9
223.16914	7.2
227.17973	2.8
229.19556	2.5
233.19052	1.4
235.20599	2.5
241.19604	1.6
243.21265	1.2
245.19054	1.2
255.21082	3.2
257.19019	1.3
269.22653	2.5
273.22586	1.0
347.25839	2.6
351.22812	1.1
381.07294	1.6
395.37012	1.4
399.08655	4.3
407.08713	1.1
407.33014	3.3
413.37616	1.5
425.10056	3.1
425.33353	10.7
425.38452	3.4
426.34229	1.6
443.28323	3.3
443.35165	100.0
444.35471	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	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.9
53.75360	2.6
55.05511	20.0
57.03438	2.6
57.07064	6.2
63.09034	2.8
63.20190	2.5
65.03926	3.3
67.05498	32.8
69.03416	9.2
69.07065	25.1
72.48959	2.7
79.05486	30.5
81.03421	3.7
81.07048	66.8
82.59209	3.1
83.04993	6.2
83.08600	10.4
85.02882	2.5
85.06514	3.9
85.19562	2.4
91.05473	29.4
93.06486	4.9
93.07040	65.1
94.07345	2.8
95.04967	9.0
95.08602	100.0
97.02899	3.3
97.06509	9.1
97.10162	7.8
99.04399	3.0
99.08109	2.9
101.83392	2.6
105.07028	80.7
106.07307	2.8
107.08585	79.5
109.02869	4.7
109.06520	7.9
109.10149	58.2
110.10434	2.7
111.04446	3.3
111.08072	4.6
117.07014	10.5
119.08578	77.3
120.08868	2.9
121.06495	12.5
121.10132	51.4
123.04434	5.7
123.08063	9.3
123.11700	20.4
125.09633	5.3
128.06200	3.0
129.06995	6.1
131.08549	30.0
133.06506	3.0
133.10110	59.3
135.08064	11.8
135.11687	27.1
137.09637	7.9
137.13252	5.5
139.03923	4.1
139.07535	5.2
142.07793	6.6
143.08543	14.3
144.09315	3.8
145.10112	50.5
147.08015	7.8
147.11676	43.0
149.09630	11.4
149.13251	28.5
150.13586	3.9
151.07547	9.0
151.11157	3.3
153.01851	2.9
157.10075	13.0
159.08116	4.6
159.11690	45.6
161.09653	15.4
161.13255	31.0
163.07555	3.2
163.11203	7.3
163.14812	31.9
165.09105	46.5
167.08481	3.3
169.10106	8.5
171.11682	11.3
173.13226	23.0
175.11214	6.4
175.14809	32.8
177.09210	3.0
177.12766	6.7
177.16376	27.9
185.13261	8.2
187.14793	42.9
189.12723	5.7
189.16371	35.5
191.14291	34.0
191.17929	26.0
192.14702	6.6
193.12283	3.9
195.11755	3.7
199.14780	16.9
201.12659	2.8
201.16318	17.2
203.14296	9.9
203.17944	88.7
204.18321	3.8
205.15892	16.2
209.15314	23.3
211.14885	3.1
213.16455	6.4
215.14293	4.7
215.17955	4.6
217.12396	3.2
217.15828	17.6
217.19513	5.2
218.16341	2.9
219.13786	4.6
221.15334	6.3
227.17926	3.6
231.21089	6.9
235.16910	3.4
237.16377	3.1
243.17451	3.0
267.14102	3.7
273.14932	2.5
296.11404	2.8
311.23611	3.1
389.32028	5.6
397.33725	8.6
407.33136	10.6
408.75488	2.7
425.10336	3.1
425.33981	11.8
443.18973	5.1
443.28146	7.3
443.35144	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28315	3.0
53.03950	6.2
55.01865	5.4
55.05510	26.0
57.03423	5.0
57.07059	5.9
65.03951	5.0
67.05504	44.5
69.03422	6.7
69.07063	33.4
71.04977	6.3
71.12994	6.4
71.23204	2.8
72.27873	2.8
79.05492	43.8
81.03410	5.8
81.06599	4.7
81.07057	76.0
83.04949	11.5
83.08604	17.9
85.02903	3.8
85.06548	7.5
86.08311	2.8
91.05472	41.7
92.05825	3.3
93.07039	64.0
95.04963	14.9
95.08602	100.0
97.06528	9.0
97.10159	12.2
105.07024	64.4
107.04961	6.2
107.08586	76.6
108.08922	5.5
109.02853	5.0
109.06512	16.6
109.10150	45.7
109.87325	3.1
111.08070	8.7
115.05433	7.1
117.07033	22.8
119.08578	59.5
121.02852	10.6
121.06489	11.0
121.10145	60.1
123.04414	10.2
123.08069	16.0
123.11702	20.5
125.09615	8.6
128.06206	4.8
129.07014	15.8
131.08546	35.4
133.06465	3.8
133.10130	50.2
135.08044	15.5
135.11725	25.0
137.09618	6.1
137.13240	8.1
139.03860	6.3
139.11122	3.6
141.07001	10.0
142.07750	3.1
143.08591	23.6
144.09253	3.3
145.06502	8.2
145.10114	46.9
147.04379	7.7
147.08015	6.1
147.11688	43.4
149.02295	6.4
149.09608	6.9
149.13274	39.3
151.07556	47.4
151.11243	3.9
153.01788	3.9
153.09134	4.2
155.08508	14.3
155.14496	3.2
156.09236	4.4
157.10117	21.6
159.11678	25.1
161.09602	14.2
161.13222	21.1
163.11156	7.1
163.14824	30.5
165.06960	3.3
165.09058	14.5
167.08543	8.9
169.10074	10.3
171.11716	16.6
173.09665	5.5
173.13309	19.4
173.14525	3.1
175.03886	6.8
175.11165	8.9
175.14850	32.1
177.09056	5.7
177.12698	5.0
177.16368	27.2
179.08482	5.5
179.10667	5.0
181.10031	6.7
183.11681	12.3
185.13258	12.7
187.11128	5.1
187.14813	24.8
189.09033	3.3
189.12698	3.7
189.16422	25.5
191.10686	9.5
191.17952	7.7
193.15863	7.0
195.07948	3.8
195.11653	6.9
197.13242	6.7
199.14781	6.9
201.12668	4.5
201.16385	8.2
203.14279	3.5
203.17993	29.6
205.15788	17.2
206.55782	3.2
207.11731	3.6
207.17464	6.2
209.13255	7.0
211.14857	5.7
213.05444	12.3
213.12828	3.6
213.16316	7.6
214.06140	3.6
215.14172	4.8
215.17943	7.3
217.15889	9.4
217.19595	3.8
221.15314	5.6
225.16234	3.9
227.06972	6.3
227.14352	3.5
229.19458	7.9
231.17432	7.1
233.15492	3.9
235.16890	5.9
239.14268	5.2
251.07089	25.2
253.15901	4.1
255.17256	3.5
267.06552	4.3
271.16858	3.3
297.09100	5.3
308.08273	6.5
309.09015	11.2
310.09525	4.1
311.23703	4.1
325.08398	10.5
327.10123	5.1
329.24643	4.3
335.10361	3.7
337.08643	16.0
339.06427	3.6
341.08096	5.8
341.24689	3.9
351.10010	5.9
351.23172	13.6
353.08160	11.6
354.08530	5.4
355.09583	16.2
357.07498	6.7
364.07108	6.9
365.08072	18.0
367.05688	3.7
369.07718	9.0
369.24280	18.7
371.05084	7.5
371.09158	8.1
379.09528	8.8
381.07471	25.9
382.08035	15.6
383.09207	12.2
385.07071	8.3
387.08749	7.2
387.25189	5.3
389.31845	8.1
396.06253	3.9
397.10645	12.6
399.08560	52.6
400.08975	12.9
407.09082	39.2
407.33115	13.9
408.09598	7.1
415.11938	3.9
425.10266	46.5
425.34698	20.8
426.10345	10.2
443.11255	36.3
443.27795	58.8
443.35034	47.9
444.11823	10.3
444.27979	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	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05504	13.3
57.07072	4.7
65.03899	1.8
67.05511	23.0
67.77872	1.9
69.07069	29.0
71.08617	3.0
79.05497	17.7
81.07056	67.9
83.08615	8.6
84.20583	1.9
91.05469	20.0
93.07039	58.2
94.07378	2.5
95.04932	3.2
95.08604	100.0
96.08955	3.6
97.06522	4.9
97.10157	8.1
105.07022	41.7
106.07346	3.4
107.08591	76.5
107.09320	4.3
108.56163	1.9
109.06507	3.4
109.10158	56.4
111.11727	3.8
117.07068	2.5
119.08581	41.3
120.14860	1.9
121.06505	4.0
121.10137	64.4
123.08115	2.1
123.11695	23.7
125.09699	1.8
130.92519	1.8
131.08539	10.3
133.10126	40.7
134.10468	3.6
135.08040	3.0
135.11694	32.8
137.13264	6.6
145.10110	20.0
147.11691	29.1
149.09627	2.4
149.13252	53.4
150.13510	2.1
153.12753	2.6
157.10123	2.9
158.10646	2.7
159.11693	14.8
161.09686	3.3
161.13261	15.5
163.11165	4.1
163.14810	46.9
165.09070	4.5
165.12798	2.8
165.16377	2.4
173.13295	12.0
175.11125	2.4
175.14824	26.6
176.15196	2.6
177.16391	82.1
179.10641	3.7
181.04901	2.8
187.14789	17.2
189.16376	29.3
191.10536	2.7
191.17979	26.4
193.12215	6.5
201.16353	18.1
203.14201	3.6
203.17955	34.1
204.18250	2.7
205.15927	3.8
205.19525	11.3
207.17419	4.7
209.11693	4.1
215.14278	3.3
215.17897	4.1
217.15875	4.0
217.19469	5.6
219.13774	3.6
219.17439	2.7
221.15314	7.7
229.15843	2.7
231.21072	3.3
233.15332	5.5
235.16982	4.9
247.16925	7.9
247.24289	4.2
261.18652	3.0
269.12384	4.0
275.20245	3.6
379.33578	5.4
381.35153	9.0
397.34634	8.6
407.32996	5.9
425.34061	39.8
426.34793	3.6
443.35080	64.9
444.35403	4.1
469.81107	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	443.3514
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.02373	0.2
51.84232	0.2
53.03921	0.3
54.12592	0.2
55.05281	0.2
55.05506	2.8
56.92144	0.2
57.03417	0.4
57.07072	0.9
59.04985	0.3
60.34434	0.2
65.03901	0.5
67.05500	4.6
69.03410	0.5
69.07062	4.3
69.86212	0.9
70.46234	0.2
71.08608	0.2
73.59153	0.2
79.05080	0.3
79.05486	4.1
81.07050	10.8
82.07372	0.2
83.04955	0.7
83.08160	0.3
83.08616	3.3
85.06528	0.5
87.04435	0.6
91.05474	4.2
93.07037	9.0
95.04952	1.0
95.08600	15.5
96.08881	0.2
97.06499	0.8
97.10190	1.1
98.20706	0.2
105.07025	9.7
107.04960	0.2
107.08584	17.7
108.08934	0.3
109.06498	3.2
109.10146	8.8
111.08074	1.4
117.06983	1.7
119.08572	10.2
121.06484	1.9
121.10133	12.1
122.10459	0.2
123.08058	8.2
123.08965	0.4
123.11698	4.0
125.01299	0.2
125.09579	0.7
129.06996	0.8
130.07780	0.4
131.08554	7.5
132.09340	0.2
133.10121	8.9
135.08044	3.3
135.11678	5.4
137.09610	1.4
137.13257	0.8
138.51651	0.2
139.11151	0.4
142.07832	0.2
143.08537	1.9
144.09319	0.6
145.10114	10.6
146.10564	0.2
147.08073	0.2
147.11673	10.3
148.11987	0.2
149.09618	2.1
149.12047	0.3
149.13242	6.3
151.11166	1.7
153.12711	0.2
155.08577	0.5
156.09285	0.3
157.10120	2.4
158.10880	0.6
159.11679	7.2
161.09598	0.6
161.13246	4.6
163.11179	1.5
163.14810	6.7
165.12683	0.4
169.10126	0.3
170.10878	0.3
171.11647	1.6
172.12459	0.5
173.13257	3.2
175.11208	0.8
175.14815	2.7
177.12796	1.2
177.16368	5.1
179.14330	0.4
183.11665	0.7
185.13269	2.0
187.14801	12.4
188.15169	0.3
189.12694	0.4
189.16393	2.5
191.14278	1.0
191.17926	1.0
193.15872	0.6
197.13232	0.7
199.14824	2.0
201.16373	6.8
202.16757	0.3
203.14330	1.4
203.17944	4.5
205.15863	26.1
206.16187	0.9
207.17416	0.8
209.13246	0.3
211.14742	0.4
213.16396	1.7
215.14479	0.2
215.17924	2.7
217.15903	0.5
219.17473	1.5
223.14931	0.4
223.16911	3.0
225.16377	0.4
227.17943	0.8
229.15945	0.3
229.19473	1.4
231.17453	0.3
233.19006	0.2
239.17850	0.3
241.16048	0.3
241.19426	0.8
243.21046	0.5
245.18916	0.3
253.19531	0.5
255.18520	0.3
255.21059	2.1
257.18973	0.3
257.22568	0.3
267.21143	0.3
269.22656	1.1
279.20752	0.2
293.22476	0.3
309.25919	0.3
311.23953	0.3
321.24338	0.3
329.24637	0.4
347.25781	9.1
348.26181	0.5
366.31573	0.2
373.27347	8.4
374.27921	0.4
385.07037	0.7
386.07718	0.3
388.28619	0.3
389.32074	0.4
399.08771	0.4
400.08478	0.2
407.33133	1.4
425.10080	0.3
425.34149	4.7
426.34323	0.4
443.35184	100.0
444.35574	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03945	3.3
55.01820	2.0
55.05505	16.3
57.07061	4.2
66.66045	2.1
67.05510	26.6
69.03415	3.3
69.07070	28.3
69.24022	2.2
69.49633	18.7
71.04972	3.6
71.08637	2.8
75.11940	2.2
79.05487	25.2
81.03460	2.7
81.06594	4.2
81.07054	68.6
83.04990	6.4
83.08611	15.8
85.02879	2.3
85.06538	6.1
91.05481	24.5
91.17433	2.1
93.07039	53.9
95.04963	3.7
95.07988	4.9
95.08604	100.0
97.06530	3.8
97.10158	7.7
98.21494	5.0
105.07034	58.9
107.08593	91.1
107.09316	4.9
109.06499	4.1
109.10152	52.2
111.08098	4.1
117.07009	6.5
119.08576	71.1
120.08922	2.5
121.06490	6.6
121.10143	58.9
123.08063	10.0
123.11725	20.1
129.07031	3.0
131.08546	18.4
133.10117	50.0
135.08047	10.1
135.11668	25.3
137.09610	5.9
137.13293	5.6
142.07710	3.4
143.08588	9.1
144.09290	2.5
145.10118	32.4
147.07993	3.9
147.11688	53.1
149.09665	10.7
149.13254	49.0
151.11249	2.6
151.14864	2.6
157.10075	12.6
158.11028	2.2
159.11673	29.0
161.09616	7.0
161.13272	21.1
162.40164	2.4
163.11165	7.0
163.14807	37.5
165.09125	5.0
165.12848	2.7
169.10123	4.0
171.11658	6.0
173.13260	23.5
175.11212	3.8
175.14819	45.4
177.16391	42.3
179.17966	3.2
181.04906	3.1
183.11716	6.0
185.13216	4.9
187.14818	43.8
189.12799	3.5
189.16383	37.6
191.14365	4.6
191.17976	13.0
193.15852	6.8
197.13289	2.9
199.14847	7.6
201.16403	14.8
203.14319	6.4
203.17972	43.7
205.12198	2.8
205.15889	24.9
207.17526	5.3
211.14778	4.6
213.16415	6.7
215.17973	9.8
217.15901	9.5
217.19525	4.8
219.13806	4.3
219.17355	5.0
221.15369	6.5
223.16949	2.9
225.16399	2.8
227.17944	3.6
229.15874	4.6
229.19443	12.8
231.17441	7.5
233.15533	3.4
233.18925	3.7
235.16965	9.6
247.16888	4.8
249.18533	4.8
255.21053	3.8
265.18027	3.5
277.09558	2.4
281.22601	2.9
283.20847	2.6
283.24005	2.4
289.83777	2.8
293.22794	4.1
311.23694	8.6
329.24756	6.5
388.54999	2.3
389.32144	10.9
407.33176	27.2
414.07349	2.6
425.34149	36.6
443.35220	80.0
444.35522	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05502	15.4
57.07064	2.7
57.27791	2.0
59.31173	1.9
67.05503	23.2
69.07057	26.6
77.03975	2.3
79.05489	21.1
81.07047	55.7
83.04975	4.7
83.08625	10.4
85.06528	9.1
91.05470	18.1
93.06490	3.9
93.07040	52.2
95.04958	4.6
95.08601	72.4
96.08912	3.5
97.10167	6.2
98.21571	3.4
99.08113	3.0
105.07023	34.7
107.07883	4.3
107.08586	69.1
109.06501	4.0
109.10146	38.3
111.08101	3.4
111.11746	3.2
115.05416	2.7
117.07018	5.5
119.08576	35.6
120.08836	2.7
121.06375	2.2
121.10133	55.1
122.10426	2.4
123.08055	6.2
123.11683	15.9
125.09616	3.6
129.06978	4.6
131.08543	12.6
133.10106	32.2
135.07996	2.7
135.11676	19.1
137.09598	2.8
137.13257	3.2
139.07564	2.3
140.72360	2.3
142.07823	2.4
143.08485	4.6
145.10091	19.9
147.11684	18.5
149.09572	15.2
149.13245	100.0
150.13484	3.0
151.11195	2.4
154.05359	1.9
155.08589	2.7
157.10107	7.2
158.10936	2.4
159.11710	15.0
161.09631	3.8
161.13283	13.1
163.11205	3.6
163.14816	69.1
164.15176	2.4
169.10207	3.4
171.11667	5.2
173.13290	11.9
175.11192	4.1
175.14810	22.9
177.12830	2.7
177.16377	54.6
179.17848	2.5
183.11687	4.7
185.13211	5.2
187.14827	36.4
189.12709	3.3
189.16365	31.3
190.16763	2.4
191.14313	5.5
191.17949	11.9
199.14780	3.9
201.16353	11.7
203.17955	17.1
205.15900	13.0
207.17438	3.3
211.14891	3.3
213.16411	4.0
215.17874	5.0
217.15906	3.9
221.84706	2.1
227.18024	3.3
229.16014	6.3
231.17462	7.4
235.16956	6.4
241.19455	2.4
245.19046	2.3
247.16904	6.3
249.18504	4.9
255.21097	2.1
353.07919	2.2
389.32108	7.9
399.08435	4.1
407.32959	16.2
425.10156	4.2
425.34106	26.7
426.34143	2.8
443.35184	90.8
444.35611	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	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03942	0.8
53.56546	0.7
55.05506	2.6
57.07072	1.9
62.70583	0.8
67.05497	5.7
69.03396	0.9
69.07069	5.6
69.35056	6.3
71.04974	1.3
79.05484	4.2
81.06599	1.3
81.07051	14.0
83.04970	3.5
83.08599	3.2
83.09064	0.7
83.61694	0.7
85.06514	0.8
87.04484	0.9
91.05473	3.2
93.07045	11.2
95.04955	1.8
95.08603	19.0
97.06532	1.5
97.10144	1.6
105.07030	12.6
107.08587	15.6
109.06514	3.6
109.10157	12.8
110.10452	0.9
111.08089	2.2
117.07012	1.7
119.08578	15.2
121.06518	1.5
121.10134	14.1
123.08070	4.6
123.11691	4.8
129.06987	0.8
130.18932	0.7
131.08565	4.6
132.09128	0.9
133.10126	11.9
135.08040	5.4
135.11685	9.6
137.09587	1.9
137.13226	1.9
143.08528	1.4
145.10117	5.1
147.08070	1.0
147.11684	7.6
149.09602	12.2
149.13220	5.3
151.11157	1.5
157.10112	2.2
159.11670	5.5
161.09607	1.2
161.13263	4.5
163.11176	1.7
163.14822	4.3
165.12769	1.2
171.11693	1.3
172.30634	0.7
173.13242	4.9
175.11143	1.3
175.14816	9.1
177.16354	4.7
179.14278	0.8
185.13336	1.9
187.11224	0.9
187.14819	5.7
189.16411	4.3
191.14375	1.3
191.17909	3.2
193.15891	1.3
197.13205	0.9
199.14932	1.8
201.16321	4.0
203.14328	0.8
203.17978	2.8
205.15825	3.9
207.17366	0.8
211.14832	0.7
213.16437	1.1
215.14246	0.8
215.17932	1.5
217.15866	1.1
217.19545	1.2
219.17404	3.5
229.19470	1.6
231.21072	0.9
233.19176	1.1
245.18901	1.0
247.20476	1.0
251.16341	1.1
255.21182	1.1
261.32916	0.8
273.22034	3.6
283.20596	1.3
341.28394	0.9
347.25882	1.9
373.27368	1.2
379.87479	0.8
407.33020	4.1
425.33890	4.8
443.35168	100.0
444.35587	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.49205	0.6
51.34099	0.6
55.05503	2.4
57.07093	0.8
59.83458	0.6
63.31020	0.6
67.05499	4.9
69.03431	0.8
69.07076	3.7
71.08585	0.7
79.05485	2.2
81.01178	0.6
81.07050	9.6
82.07368	0.6
83.04968	1.8
83.08605	2.6
85.62597	0.6
91.05458	3.7
93.07028	8.4
95.04951	1.5
95.08611	14.6
96.08933	1.1
97.06533	1.3
97.10167	1.1
97.53303	0.7
100.96721	0.6
105.07023	9.0
106.07340	1.0
107.08590	12.1
108.08926	0.8
109.06527	2.2
109.10156	8.2
111.08090	0.8
111.11716	0.8
117.07040	0.8
119.08583	12.8
120.08896	1.3
121.06490	2.0
121.10133	9.5
123.08089	2.3
123.11727	3.5
125.09693	0.7
129.06981	0.8
131.08521	3.5
133.10110	8.5
134.10471	1.2
135.08089	2.7
135.11667	6.2
137.09657	0.8
137.13315	0.8
143.08525	1.3
145.10054	3.8
146.07176	0.7
147.08064	1.9
147.11673	7.0
149.09630	2.4
149.13281	3.6
151.11171	0.7
157.10129	2.5
159.08163	0.6
159.11700	4.3
161.09656	2.9
161.13249	3.7
163.11302	0.7
163.14806	2.4
165.09084	0.7
165.12744	1.0
169.10248	0.9
171.11710	2.6
173.09625	0.8
173.13231	3.0
175.11221	2.8
175.14828	5.0
177.12749	1.0
177.16443	3.9
179.14317	0.7
183.11655	1.6
185.13217	1.8
187.11157	1.0
187.14792	3.9
189.12758	3.2
189.16374	6.1
191.17941	0.8
195.11728	0.8
197.13194	1.2
199.14842	1.8
201.16451	1.6
203.14333	1.8
203.17981	1.3
204.14648	1.7
205.15834	2.1
206.16269	1.0
211.14812	0.9
213.16508	1.0
215.14349	1.2
215.18025	1.2
217.15866	3.4
219.17363	0.8
227.17958	1.2
229.19461	1.2
231.17429	6.1
235.17032	2.0
239.17909	0.8
245.18973	1.0
253.19595	0.9
255.21236	0.8
267.21005	0.9
271.20599	2.9
273.22101	1.0
289.21597	1.0
347.25879	1.8
382.36792	1.0
389.31967	0.7
399.08542	1.8
399.13535	1.7
407.32999	2.7
425.34076	9.5
426.34708	0.7
443.35132	100.0
444.35413	6.3
444.40707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.18554	0.5
55.01842	0.6
55.05511	3.7
57.03415	0.7
57.07049	1.3
65.03922	0.9
67.05508	5.5
69.03411	0.6
69.07059	8.5
71.04968	0.7
71.08636	0.5
71.47134	0.4
79.05482	7.1
81.07055	15.9
83.04958	1.2
83.08614	4.4
85.06537	0.8
87.04454	0.6
91.05481	5.6
91.93246	0.4
93.07036	16.3
95.04925	1.7
95.08601	23.1
97.06528	1.0
97.10133	1.4
98.20718	0.8
99.08065	0.8
102.29163	0.5
103.05417	0.6
105.07030	13.4
106.07331	0.5
107.08587	28.1
108.08862	1.2
109.06516	3.6
109.10152	10.3
111.08108	2.1
115.05426	0.5
117.07026	2.6
119.08573	13.2
121.02845	1.0
121.06477	1.7
121.10139	25.4
123.08082	2.3
123.11707	3.6
128.06166	0.5
129.06964	1.5
130.07773	0.7
131.08559	10.0
133.10133	11.4
135.08055	2.7
135.10725	0.6
135.11691	7.5
137.09584	1.1
137.13248	1.1
139.11118	0.6
143.08556	3.1
144.09297	0.7
145.10112	16.0
147.11685	13.9
149.09589	1.7
149.13252	14.2
150.13637	0.6
151.11131	1.1
157.10138	3.0
158.10808	0.6
159.11673	7.6
160.07558	0.5
161.09566	0.9
161.13271	5.4
163.11209	2.4
163.14819	14.5
164.15144	0.6
169.10118	0.8
170.10867	0.7
171.11696	3.4
172.12427	0.7
173.13237	4.3
175.03900	0.6
175.11137	0.9
175.14833	4.4
177.12804	1.2
177.14807	0.8
177.16374	15.5
178.16765	0.7
183.11713	0.7
185.13226	2.0
187.14809	25.2
188.15195	0.9
189.16386	4.0
191.14348	1.9
191.17953	1.6
195.11653	0.6
197.06039	0.5
197.13280	0.6
199.14836	1.9
200.04608	0.5
201.16354	8.2
203.14403	0.6
203.17967	1.8
205.15868	100.0
206.16232	3.4
207.17508	1.3
213.05544	0.8
213.16434	2.9
214.06267	1.7
214.17035	0.5
215.17961	5.3
217.15820	1.2
219.17407	3.1
223.16908	9.1
225.16248	0.5
227.17880	0.9
228.18675	0.9
229.19481	2.2
230.19922	0.5
233.18925	1.1
241.19579	1.7
242.20146	0.5
243.21066	0.8
247.16811	0.7
249.18591	0.6
251.06967	1.1
251.20050	0.9
253.19530	0.7
255.21109	4.6
257.19006	0.5
269.22723	2.6
271.20709	0.7
274.12433	0.5
275.20093	0.9
293.21393	0.6
309.09109	0.9
313.08569	0.8
327.10083	0.6
333.09213	0.7
336.07758	0.5
337.08621	1.4
341.08163	0.7
351.10043	0.8
353.08032	1.3
353.24750	0.5
355.09540	0.9
365.08005	1.4
366.08701	0.9
371.09671	0.5
379.09586	1.7
381.07559	2.9
382.08145	1.5
383.09030	1.9
389.32053	1.2
395.09534	0.5
397.10724	1.9
399.08618	3.8
400.09122	0.8
407.09232	2.2
407.33060	3.2
408.09814	0.5
425.10175	4.8
425.34152	17.0
426.10675	0.6
426.34399	1.2
443.11273	2.8
443.35208	49.8
444.35568	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78642	0.4
54.03459	2.3
55.04242	3.1
57.03428	0.7
61.02908	0.7
69.03410	1.8
69.21742	4.8
70.02914	0.4
71.30457	0.4
73.02908	0.4
80.04998	1.3
81.04539	20.6
82.05318	8.2
85.02917	2.5
87.04466	0.6
87.60119	0.5
89.78672	0.4
97.02868	0.9
99.04472	0.4
104.63518	0.4
106.38747	0.4
108.05603	1.3
109.88557	0.4
110.07129	0.7
122.07150	100.0
123.07931	91.5
124.08258	1.1
127.03873	0.8
137.05966	0.5
139.09842	0.5
142.03220	0.7
144.04765	1.0
145.04903	0.4
160.04309	2.2
164.08221	0.7
165.07712	3.4
172.04259	1.2
218.93889	0.4
237.02821	0.4
281.10660	66.1
282.11035	2.1
317.08575	0.9
323.11795	1.2
380.48422	0.4
443.16119	78.4
444.16364	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	443.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.35982	0.9
62.82148	0.8
65.03938	1.2
67.05493	3.2
69.07052	2.3
71.04958	1.0
75.81972	0.8
79.05473	3.0
81.03429	1.7
81.07068	4.4
81.07470	0.7
83.04988	1.3
83.21643	0.8
91.05467	2.7
93.07038	4.0
95.05002	0.8
95.08597	4.2
95.32432	0.8
97.10157	1.0
103.05491	1.1
105.03474	1.0
105.07014	4.8
107.04896	1.1
107.08574	3.7
109.10150	2.9
113.64071	0.8
117.06976	1.8
119.08575	2.3
121.02855	3.5
121.06495	1.2
121.10138	2.0
125.09617	1.4
128.06226	1.0
129.07014	2.2
131.04935	1.0
131.08585	3.5
133.10115	2.3
135.08046	1.0
139.03827	1.2
141.06946	1.6
143.08537	1.6
145.10086	2.4
147.04375	2.0
149.02373	4.5
149.13214	1.0
151.07555	1.1
157.10139	1.2
159.07959	0.8
159.11632	1.0
161.09572	0.9
163.14824	1.0
165.09126	1.4
167.08591	0.9
169.06447	1.2
170.61577	1.0
171.11679	1.2
173.05890	0.8
175.03896	4.1
175.14914	1.2
176.04645	1.6
181.18866	0.8
183.11684	1.2
189.16360	1.2
191.10796	0.9
195.08096	1.3
197.05925	1.2
209.05945	1.1
213.05437	3.8
214.06148	0.8
215.06984	1.6
223.07610	1.8
225.05417	2.0
227.06941	0.8
233.05988	1.2
235.07515	2.9
238.06187	1.0
249.05351	1.1
250.06190	1.1
251.07027	22.9
253.08455	1.1
263.06982	7.7
267.06210	1.7
276.09363	0.9
277.10229	1.4
279.08124	1.5
280.08881	1.5
281.09616	1.9
284.08289	1.0
285.09140	1.3
292.09061	1.3
295.11243	1.0
297.09027	3.8
298.09772	1.1
305.09589	4.3
306.10098	1.2
307.07608	1.5
308.08270	3.6
309.09048	8.3
310.06348	1.6
311.06967	2.7
313.08597	1.3
321.09048	1.6
322.09677	1.7
323.07135	1.7
323.10663	3.6
324.07718	1.5
325.08514	7.1
326.09250	1.8
327.10181	1.6
328.07117	0.9
329.08203	1.1
333.09067	3.9
334.09811	2.7
335.07062	1.7
335.10541	1.9
336.07855	4.7
337.08569	9.6
338.09149	1.6
339.06433	3.1
339.10031	0.9
340.07275	3.5
341.07877	2.8
341.11600	1.3
349.08600	0.9
350.09457	1.6
351.10181	12.5
351.23172	2.0
352.07153	2.1
352.11093	0.9
353.08044	12.0
354.08804	4.3
355.09573	8.5
357.07690	1.7
361.08566	4.7
362.09271	2.8
363.10248	2.7
364.07224	3.0
365.08093	10.7
366.08923	5.4
368.06689	3.1
369.07379	1.2
369.11426	1.7
369.24390	1.2
371.09296	1.2
377.07977	1.1
378.08881	2.9
379.09650	23.0
380.06128	1.3
380.10303	3.0
381.07489	37.1
381.11365	5.6
382.08209	13.0
383.09146	16.6
385.07010	1.9
387.08658	1.2
389.07788	2.6
392.06604	6.5
393.07602	1.6
396.09998	1.1
397.10800	11.5
399.08609	46.4
400.09027	1.4
407.09097	55.9
408.09604	3.0
425.10181	100.0
426.10388	4.4
443.11365	6.3
443.27631	6.2
443.34897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71261	1.9
55.01853	2.3
55.05495	5.3
57.03433	21.6
59.05000	4.6
61.02924	6.9
63.78572	1.8
67.05505	4.9
69.03426	49.3
69.07046	2.1
70.96372	6.0
71.04977	2.5
71.08645	2.6
71.96059	2.1
73.02911	26.5
79.05476	4.6
81.03413	7.8
81.07044	8.6
83.04976	2.7
83.08606	2.2
85.02899	100.0
87.04460	24.0
91.03941	3.4
91.05444	3.3
93.07037	4.7
95.08605	3.7
97.02886	54.0
99.04475	5.3
105.06999	3.1
107.08601	4.5
109.02859	7.6
109.10142	4.4
111.04410	2.2
115.03926	51.6
122.09656	2.2
127.03904	25.1
133.04956	46.3
140.10722	3.8
145.04958	44.5
145.06247	2.7
147.04454	3.5
147.11763	2.6
149.09581	2.3
150.07605	6.5
151.07564	2.7
153.01837	5.6
154.02084	2.3
155.33286	2.0
163.05981	22.8
206.07903	2.5
259.08066	2.9
273.14871	3.5
284.88416	2.0
295.10010	2.3
402.44986	2.1
442.25314	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	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
54.69539	1.0
55.01863	6.8
57.03437	13.5
59.04980	1.3
60.15734	1.0
61.02924	10.1
69.03423	24.3
71.01344	2.1
71.04998	2.1
71.08621	1.8
72.04506	1.1
73.02909	17.9
81.03408	6.1
85.02902	100.0
87.04455	2.5
91.03956	6.3
91.05491	1.2
91.94449	1.0
97.02887	33.7
99.04430	3.5
99.21480	1.3
102.36040	1.2
103.03931	2.1
109.02858	8.2
115.03936	9.0
123.04416	1.7
127.03909	27.1
132.06535	1.7
133.04955	16.4
145.04953	47.8
150.07570	2.1
153.01851	1.3
154.02199	1.3
163.06009	21.5
163.07234	0.9
241.07045	1.9
241.64246	1.4
259.08127	1.6
291.04398	1.3
293.19540	2.0
442.24649	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	442.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46109	1.4
55.01876	2.1
56.96540	1.9
57.03433	3.8
57.07080	3.9
61.02912	2.5
61.09846	1.5
67.05508	4.1
67.96597	1.4
69.03414	7.1
69.95984	3.7
69.96378	2.6
71.04996	2.5
73.02916	4.0
75.32999	1.5
77.83524	1.3
81.03416	2.9
81.04538	3.3
83.04977	1.9
85.02901	27.4
85.06531	5.8
91.03959	1.7
95.04966	11.0
97.02866	8.1
99.04499	1.9
105.21360	1.7
109.02891	4.3
113.06002	35.4
115.03989	1.8
122.07150	18.8
123.07939	14.6
127.03874	7.8
131.07034	100.0
139.03870	9.3
145.04964	13.3
145.46135	1.9
150.05516	1.9
153.01802	1.5
163.03955	2.2
163.05940	7.1
165.95767	1.5
229.04813	1.7
253.13400	2.2
281.10675	11.6
287.05493	3.6
293.12186	7.8
314.60217	1.5
443.16177	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05494	11.2
57.07054	7.2
67.05506	24.2
67.05820	4.8
69.07062	30.9
69.18479	34.1
73.96233	2.7
79.05479	8.6
81.07049	50.0
83.08594	7.6
85.01288	3.3
91.05474	7.8
92.32937	3.0
93.07052	28.3
95.07989	5.0
95.08601	100.0
97.10149	8.8
98.21549	6.5
105.07025	21.0
107.08578	43.7
109.10152	66.0
111.11699	9.9
119.08576	42.1
121.06467	4.2
121.10130	50.1
123.08031	4.1
123.11688	31.5
131.08582	7.3
133.10123	31.7
135.11682	24.7
137.09615	4.3
137.13203	21.3
143.08519	5.0
145.10098	11.9
147.11684	15.5
149.09549	5.8
149.13249	19.7
151.14723	3.9
156.09419	3.4
157.10104	10.7
159.11665	22.8
161.13252	12.9
163.14828	19.3
171.11699	6.2
172.84506	3.2
173.13268	13.6
175.14775	17.1
177.16434	15.1
179.14339	3.5
185.13217	5.3
187.14787	12.5
189.16370	12.5
191.17923	19.9
193.12289	4.8
193.19594	4.1
199.14813	13.4
201.16365	5.4
203.14255	4.9
203.17955	9.2
204.88181	3.8
205.15970	3.9
205.19511	16.6
207.17332	5.2
213.16354	4.0
215.17952	9.3
217.15860	7.3
217.19470	7.2
219.17583	5.1
229.19427	5.2
231.17412	7.9
231.20970	13.5
235.16948	15.2
243.21132	5.8
245.22815	6.6
249.18365	7.5
269.22592	4.9
353.05225	3.1
377.87042	3.5
405.35098	52.9
406.35416	4.5
423.36197	36.3
441.37338	81.7
442.37552	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	441.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05507	12.0
55.18465	1.6
57.07062	5.7
65.03947	1.8
67.05505	27.9
68.05794	2.2
69.03426	1.8
69.07066	21.0
71.51630	2.4
79.05495	19.0
81.03404	1.8
81.06601	3.2
81.07059	60.5
83.08607	8.1
86.32887	1.8
91.05472	16.5
93.06490	3.3
93.07050	43.8
95.04947	5.6
95.08608	100.0
97.10156	7.2
105.06332	2.1
105.07027	31.8
107.07885	3.3
107.08590	53.3
109.06561	1.9
109.10158	53.4
110.97587	1.9
111.08071	7.8
111.11695	4.1
117.07014	4.2
119.08585	37.6
121.10147	49.1
123.08080	3.9
123.11698	19.5
125.09612	4.4
131.08565	8.0
133.10120	29.7
135.08081	2.7
135.11684	31.1
137.09581	4.2
137.13245	10.1
139.11180	7.2
143.08534	7.1
145.06454	4.8
145.10132	18.1
147.11682	19.7
149.09648	2.0
149.13269	46.8
153.01843	5.2
156.09462	2.2
157.10126	6.9
159.11681	17.2
161.13277	16.9
163.14833	17.2
165.09198	3.2
171.11679	7.1
171.95946	1.8
173.13249	10.2
175.11264	2.2
175.14822	18.0
177.12753	2.2
177.16370	39.0
183.11729	2.9
185.13225	5.0
187.14821	11.1
189.16399	16.9
191.17923	6.7
195.17424	12.1
197.13293	3.1
199.14815	6.8
201.16406	7.3
203.14304	3.8
203.17950	17.1
205.15807	4.6
207.17477	5.7
211.14786	2.7
213.16360	8.0
215.17905	10.0
217.19543	15.6
219.17436	5.4
221.18982	4.3
227.17889	5.6
229.19446	9.6
231.17390	2.3
233.18950	5.0
239.18091	2.3
241.19452	4.3
243.17351	2.1
243.20953	2.8
245.19051	8.8
245.22652	2.6
247.20531	5.2
257.22641	5.2
269.22556	3.0
271.24347	3.0
273.14819	2.4
273.22086	2.8
283.24249	2.2
290.39236	2.1
296.08371	1.7
297.25644	1.8
341.28406	1.9
367.22845	2.3
379.33682	3.1
383.32721	2.3
395.37106	2.2
405.35452	2.9
411.36273	23.6
423.13223	2.7
423.31436	4.3
423.36865	20.0
426.08203	2.2
441.26959	4.7
441.33441	18.5
441.37817	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05523	1.6
57.07072	0.5
63.33096	0.3
67.05180	0.3
67.05497	2.0
67.17132	0.3
69.03409	0.7
69.07066	2.7
69.54026	2.9
69.54334	0.3
79.05477	1.0
79.78261	0.4
81.07056	6.4
83.04980	2.5
83.08595	1.0
91.05470	1.1
93.07041	3.3
95.04945	1.1
95.08604	10.8
97.06504	1.0
97.10147	0.7
105.07037	2.7
107.08594	7.1
109.06484	0.7
109.10149	6.2
111.08110	0.8
111.11715	1.4
111.40637	0.4
119.08576	4.5
121.06504	1.0
121.10137	6.6
123.08070	1.4
123.11684	3.3
131.08530	0.8
133.10127	3.6
135.08041	2.1
135.11679	7.5
137.09604	0.8
137.13268	2.7
139.11212	0.7
145.10133	1.4
147.11676	1.7
149.09613	9.8
149.13239	2.4
151.11157	0.4
153.80499	0.4
157.10129	0.5
159.11658	1.5
161.09671	0.7
161.13228	1.5
163.11140	1.0
163.14824	1.1
172.75763	0.4
173.13248	1.6
175.14821	2.2
177.12831	0.7
177.16385	2.4
185.13290	0.4
187.14680	0.7
189.12712	0.5
189.16350	3.5
191.14227	0.4
191.17917	3.9
201.16338	0.6
205.15945	0.4
205.19496	1.2
207.17418	0.4
213.16418	0.5
215.17950	3.2
217.15901	0.5
217.19429	0.5
227.17772	0.4
231.17447	1.2
233.18971	3.8
235.16893	1.2
240.59335	0.3
241.19514	0.4
243.21118	0.4
245.19037	0.6
255.20967	0.4
259.20517	0.4
261.22128	0.7
269.22537	0.8
273.22116	0.4
283.24265	0.4
287.23639	7.0
301.25128	0.4
341.44336	0.4
405.34991	0.5
423.36285	1.7
441.37256	100.0
442.37567	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05502	11.1
57.03425	2.1
57.07066	4.3
59.04987	2.0
67.05508	19.7
69.07065	19.9
69.94700	7.7
71.04990	1.1
79.05488	11.7
81.07054	53.0
83.08607	10.2
85.06541	10.0
91.05488	12.4
91.06026	1.8
93.07043	34.7
95.04964	1.9
95.08604	100.0
96.08935	1.9
97.06499	1.7
97.10148	4.7
98.20831	2.3
105.07026	31.4
107.08585	65.0
109.06514	2.3
109.10155	56.3
111.08073	7.6
111.11711	3.4
113.09637	6.8
117.06991	2.2
119.08575	45.2
120.08894	1.5
121.10142	57.5
123.08042	1.8
123.11704	24.9
125.09589	5.0
131.08575	9.2
133.10130	31.8
135.08046	3.1
135.11685	53.3
136.27466	1.4
137.09602	5.1
137.13246	8.3
139.11183	3.1
139.23004	1.2
143.08517	3.9
145.10121	22.9
147.11685	32.3
149.09706	1.6
149.13252	30.9
151.11197	4.6
151.14861	1.3
157.10112	3.5
159.11688	24.0
161.13254	38.1
162.13591	1.8
163.07477	1.8
163.11147	2.3
163.14824	33.8
165.09087	13.1
165.12831	2.9
171.11656	4.2
173.13264	18.3
175.14821	35.8
176.15213	1.5
177.12784	3.4
177.16403	16.6
179.14326	5.2
185.13327	3.8
187.14793	16.0
189.16371	29.8
190.16704	1.5
191.14339	8.9
191.17941	62.9
192.18311	2.7
193.15916	5.0
199.14873	4.4
201.16393	23.0
203.17937	30.3
203.53142	1.3
205.12199	1.7
205.15927	6.5
205.19475	11.1
207.17462	7.6
213.16440	4.5
215.17966	29.3
216.18303	1.4
217.16072	1.7
217.19505	14.7
219.17419	10.5
219.20984	2.1
221.19031	4.4
227.17987	4.8
229.19504	8.2
231.17493	3.4
231.21094	4.9
233.18988	22.2
241.19522	2.9
243.21025	4.5
245.18951	1.9
245.22691	1.9
247.20650	2.8
255.21027	2.2
257.22586	3.8
259.20657	2.0
259.24240	2.6
261.22192	3.1
269.22647	2.0
271.24197	4.2
273.22049	2.2
275.23676	1.7
283.24246	1.9
287.23987	2.0
297.25742	1.5
301.25113	1.7
311.27307	2.3
353.27969	1.1
369.30658	1.3
395.37195	6.0
397.34482	1.9
405.35150	7.9
413.38403	2.2
423.36230	56.4
424.36639	5.3
441.37308	55.5
442.37836	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	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03933	3.2
55.05505	14.0
57.07086	6.2
65.03942	3.1
67.05502	19.6
69.07073	23.3
71.04984	4.5
71.08632	2.9
76.69135	2.7
79.05479	16.7
81.06606	3.7
81.07055	53.5
83.08608	11.2
85.06534	7.7
86.09705	3.5
87.04456	2.8
91.05489	16.5
93.07040	45.2
95.08603	82.8
96.08963	3.0
97.06516	6.7
97.10143	5.3
99.08079	5.5
105.07023	37.1
107.08590	64.1
109.06495	6.5
109.10146	62.8
110.10526	3.4
111.08062	3.6
111.11746	3.4
117.07008	7.0
119.08564	57.9
121.10139	48.6
122.10474	3.4
123.08020	5.3
123.11730	21.6
125.09614	7.9
127.11184	8.3
131.08543	13.6
133.10127	44.4
135.11676	58.8
137.09537	3.2
137.13268	8.5
143.06120	3.3
143.08536	5.2
143.10637	8.3
145.10139	34.0
147.11676	53.7
149.13272	25.7
157.10106	11.3
159.11687	30.6
161.13266	31.1
163.11174	4.3
163.14816	21.8
171.11655	5.3
173.13213	18.3
175.14804	20.0
177.16356	9.1
179.14313	3.5
187.14816	19.0
189.16393	46.7
191.14365	6.3
191.17943	57.5
199.14687	5.0
201.16391	22.2
203.14305	3.3
203.17963	23.0
205.15936	5.9
205.19508	6.8
207.17427	41.0
213.16388	6.9
215.17931	29.0
217.19518	11.9
219.17412	28.8
221.18875	3.4
229.19536	4.2
233.19029	20.3
243.21074	4.2
255.21008	3.7
269.22739	3.9
273.22015	3.6
301.25198	2.7
395.36414	3.6
405.35080	9.5
423.36478	37.1
435.66574	3.1
441.37732	100.0
442.37885	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	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03924	3.1
55.05503	17.8
57.07066	7.3
59.04987	4.1
67.05499	24.2
69.07065	23.3
70.65658	11.1
79.05486	16.7
81.07056	48.0
83.08630	9.2
85.06546	12.3
90.65626	3.2
91.05454	19.1
93.07046	52.2
95.08607	100.0
97.10153	5.9
105.07034	49.4
107.08594	78.1
109.10159	74.8
111.08105	6.4
111.11726	3.9
113.09623	4.6
117.07030	6.3
119.08576	63.6
121.10148	71.3
123.11691	32.2
125.09605	4.2
131.08568	12.9
133.10127	45.7
135.11687	57.6
136.54524	3.1
137.13258	7.4
145.10139	32.3
147.11711	36.5
149.13225	34.5
151.11169	3.0
151.14767	4.8
157.10114	4.2
159.11687	25.0
161.13268	46.0
163.11179	3.6
163.14842	46.1
173.13292	21.9
175.14819	42.3
177.12761	3.1
177.16374	21.4
179.14322	8.7
187.14842	17.6
189.16362	33.7
191.14339	10.8
191.17953	74.3
193.15881	7.9
199.14923	5.1
201.16344	24.1
203.17934	33.5
205.15942	10.6
205.19522	10.3
207.17403	8.8
213.16344	7.6
215.17940	30.3
217.19489	18.2
219.17433	15.9
221.18932	6.6
227.17899	3.6
229.19504	14.2
231.21060	6.1
233.19009	35.4
241.19518	6.2
243.21114	8.8
247.20541	5.4
257.22620	5.1
261.22128	4.5
271.23993	4.2
297.25723	3.8
395.36768	6.5
405.35022	16.9
423.36267	93.1
441.37265	81.2
461.06522	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	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05502	12.8
57.07062	6.6
62.11905	2.1
67.05498	25.5
69.07059	22.0
70.98744	3.5
70.99104	4.0
75.86322	2.0
79.04475	2.4
79.05502	13.4
80.46992	2.2
81.07049	56.1
82.07367	2.5
83.08615	11.8
91.05455	17.8
93.07033	45.0
95.04961	5.0
95.08597	100.0
96.08937	2.8
97.06524	4.1
97.10167	7.2
105.07017	40.8
107.08582	77.7
107.47997	2.3
109.06541	3.0
109.10140	59.7
111.08059	7.3
117.06990	7.7
119.08574	49.2
121.02831	3.1
121.06548	2.7
121.10131	52.9
122.10398	2.2
123.08054	5.5
123.11697	26.6
125.09663	4.8
131.08575	13.5
133.10120	48.2
135.08037	3.8
135.11667	36.9
137.09558	4.9
137.13248	9.7
139.11156	2.7
143.08528	3.9
145.10097	19.6
147.11681	32.1
149.09662	4.1
149.13252	39.3
151.11172	5.7
151.14737	2.4
157.10103	7.7
159.11658	19.8
161.09589	4.3
161.13231	22.8
163.14792	23.9
171.11635	6.1
173.13205	15.0
175.11067	2.2
175.14819	26.9
177.16360	27.3
185.13292	7.7
187.14851	12.9
189.16347	17.7
191.17931	42.0
193.19598	2.9
197.13231	3.5
199.14769	6.3
201.16345	13.0
203.14337	8.9
203.17915	44.8
204.18318	3.2
205.15837	4.0
205.19446	4.9
207.17433	5.2
213.16365	5.6
215.17920	14.4
217.19452	3.7
219.17410	5.5
219.21074	4.1
221.18996	38.2
225.16377	3.8
227.18004	3.0
229.19463	7.1
231.21005	2.7
233.19034	4.9
241.19453	5.2
243.21115	9.0
247.20453	4.7
249.18533	4.7
255.21130	7.8
257.22742	2.7
259.20871	2.5
267.21136	2.8
269.22675	6.6
273.22083	10.0
287.23727	4.8
295.23734	3.6
321.09164	3.0
339.06396	3.0
339.10251	2.8
354.08615	2.9
367.09662	2.8
367.29922	2.7
377.07639	4.4
383.05258	3.1
393.34964	3.3
395.09085	5.6
398.07825	6.4
398.20050	2.6
405.35190	8.4
411.36063	16.6
413.10297	4.7
422.39438	2.5
423.08786	11.7
423.36398	41.1
424.36920	3.4
441.09631	40.4
441.32220	5.8
441.37860	83.4
442.10095	7.0
442.37939	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05512	14.4
57.07062	5.7
67.05502	22.2
68.35435	2.4
69.07066	20.1
69.99158	13.5
79.05486	14.9
81.06600	4.1
81.07051	56.5
83.08615	13.8
85.02845	3.0
85.06532	5.6
85.34882	3.0
91.05466	22.2
93.07034	46.4
95.04962	3.8
95.07980	5.4
95.08599	100.0
97.06511	4.5
97.10129	6.1
103.28927	2.8
105.07022	51.9
107.05061	2.9
107.08584	72.5
109.06514	4.5
109.10152	55.3
111.08038	7.1
117.06999	5.3
119.08575	61.6
121.06407	2.9
121.10128	67.5
123.08051	5.5
123.11697	26.0
125.09657	3.5
127.11002	3.0
129.07069	3.9
131.08578	16.1
133.10124	44.1
135.08008	7.2
135.11691	34.2
137.09622	3.3
137.13243	12.2
139.18698	2.8
143.08553	6.7
145.10127	35.7
147.11678	40.5
148.11954	3.3
149.09650	3.6
149.13287	26.9
157.10153	7.8
158.10962	3.4
159.11708	23.0
161.13260	29.5
163.14819	28.2
171.11720	8.6
173.13277	17.1
175.14799	26.5
177.16377	28.0
185.13219	7.2
187.14813	18.9
188.64238	2.9
189.12810	3.4
189.16350	28.5
191.14294	3.8
191.17958	21.4
192.31654	3.0
199.14845	5.6
201.16466	18.4
203.14308	11.3
203.17932	40.3
205.15891	9.5
205.19431	6.2
207.17418	7.8
213.16486	4.0
215.17848	17.4
217.15871	3.4
217.19553	16.3
219.17545	3.9
221.19064	7.3
227.18010	5.0
229.19406	4.9
231.17392	4.2
233.18977	8.9
243.21033	8.0
257.22720	4.0
269.22318	4.3
281.22614	3.8
297.25800	5.1
405.35162	8.5
411.36209	8.3
423.36539	40.2
441.32587	31.7
441.38007	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	441.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51091	2.8
55.05505	16.7
67.05505	22.5
69.07063	30.0
69.50760	18.6
69.51167	7.8
79.05491	26.2
80.35011	2.8
81.07053	66.3
83.04994	3.4
83.08607	10.9
85.06522	2.7
91.05486	27.6
91.06000	4.2
91.48452	2.9
93.07034	56.8
95.08600	80.1
97.06514	6.7
97.10183	3.9
105.07023	67.1
105.87823	3.2
107.08589	98.5
109.06538	8.7
109.10149	33.8
110.66201	3.0
111.08074	6.9
117.07014	11.7
119.08579	82.6
121.06487	6.5
121.10130	61.8
123.08084	7.9
123.11700	10.2
125.09604	5.7
128.06221	4.8
129.07005	9.4
130.07726	3.0
131.08559	38.9
133.10106	51.2
135.08031	6.2
135.11716	26.7
136.76152	2.8
141.06972	5.0
142.07771	10.3
143.08553	24.3
145.10104	71.0
145.11177	5.7
147.08034	3.5
147.11658	40.4
149.09639	7.5
149.13243	66.1
152.65755	2.8
155.08510	7.0
156.09340	8.2
157.10132	37.7
158.10831	6.3
159.08046	5.2
159.11696	44.4
160.12195	3.0
161.09613	6.6
161.13235	23.1
163.11183	7.7
163.14809	78.1
167.08615	3.7
169.10065	15.4
170.10925	7.6
171.11662	28.1
173.09564	3.2
173.13252	45.5
175.11176	9.0
175.14803	63.0
177.12776	5.1
177.16371	100.0
178.16751	3.7
182.10869	7.1
183.11630	8.7
185.13220	24.0
187.11266	6.3
187.14810	83.3
189.12772	7.0
189.16344	36.5
191.14323	8.8
191.17955	24.1
193.15845	15.7
195.11694	3.7
197.13242	13.3
199.07956	3.5
199.14777	14.7
201.12570	4.1
201.16342	27.3
203.14334	22.3
203.17900	27.5
205.15857	9.3
209.13280	6.3
209.15190	3.0
211.14822	6.7
213.16339	24.1
215.14340	6.7
215.17915	9.3
217.15834	6.0
217.19496	4.9
219.17358	3.8
221.13261	3.8
221.15297	6.5
223.14877	6.0
225.16396	3.7
227.17937	9.0
229.15871	8.1
231.17427	20.8
233.11513	3.1
233.15410	6.5
235.16939	5.7
239.17989	4.5
245.15390	7.6
247.16862	8.2
249.18539	23.9
251.16368	9.5
255.20947	4.0
263.16373	13.0
265.17920	4.3
267.19540	12.3
307.24451	4.9
309.25830	5.5
347.27277	7.6
354.54688	3.3
387.30676	4.8
405.31442	32.3
411.32663	3.7
413.12802	5.3
416.11533	3.6
419.23962	3.4
423.08313	6.6
423.32486	40.8
431.13754	8.3
441.09735	5.5
441.27191	4.9
441.33548	93.5
442.34048	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	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43502	2.3
53.03946	2.8
55.01874	2.5
55.05507	17.6
57.03431	2.4
57.07058	3.6
67.05501	31.0
68.47818	2.5
69.03423	4.4
69.07063	28.8
69.53036	8.8
69.53461	10.9
71.04981	3.5
79.05490	24.5
81.06593	4.6
81.07055	62.9
83.08627	11.3
91.05476	31.7
93.07044	64.1
95.04960	5.6
95.08601	77.6
97.06513	6.5
97.10181	6.7
105.07032	69.0
107.08588	90.8
109.06512	8.2
109.10161	31.0
111.08053	6.8
115.05434	3.7
117.06987	11.9
119.08578	79.5
121.06514	5.5
121.10136	63.1
123.08044	9.7
123.11734	11.3
125.09615	4.7
127.07502	2.7
128.06241	4.0
129.07018	9.3
131.08554	37.0
131.09435	4.1
133.10115	47.8
135.08041	7.4
135.11693	24.9
137.09618	6.3
141.06964	4.8
142.07785	7.0
143.08534	28.1
144.09344	3.9
145.06470	6.4
145.10120	67.5
147.08076	3.4
147.11667	37.7
149.09633	3.6
149.13254	65.3
150.13533	2.3
150.60010	2.4
153.01854	5.7
155.08539	8.4
155.90669	2.1
156.09354	13.1
157.10120	37.3
158.10886	6.9
159.08067	4.1
159.11703	40.2
161.09647	9.3
161.13261	21.1
163.11180	5.8
163.13454	3.4
163.14816	70.3
165.09158	4.6
165.12721	3.6
167.08554	4.3
168.09395	4.0
169.10106	17.2
170.10905	13.1
171.11665	22.8
172.12289	3.4
173.09653	5.3
173.13268	39.2
174.13541	2.4
175.11218	8.6
175.14807	58.5
176.15157	2.9
177.12891	4.8
177.16383	100.0
181.10104	6.1
181.12143	3.3
182.10938	6.9
183.11697	12.9
185.13281	22.6
187.11153	5.2
187.14809	92.6
188.15187	3.1
189.12762	9.5
189.16374	35.5
191.14349	10.4
191.17961	25.2
193.15872	12.3
195.11621	3.7
197.13318	12.1
199.14856	10.7
201.12744	5.1
201.16389	23.8
203.14330	22.2
203.17964	31.0
205.15884	7.3
207.13846	3.5
209.13292	6.0
211.14793	8.2
213.16368	24.8
215.14310	9.1
215.18019	6.2
217.15834	6.4
217.19521	2.9
219.13869	3.8
219.17511	6.6
221.15334	4.6
223.14813	4.4
225.16322	4.4
227.14310	4.1
227.17937	5.5
229.15926	8.5
229.19482	2.9
231.17435	20.6
233.15396	7.0
233.19020	2.6
239.17987	3.9
241.19543	2.9
243.17261	3.0
245.15375	6.4
247.16956	9.5
249.18507	26.9
251.16272	15.0
255.21182	4.2
259.16940	3.0
263.16422	10.9
265.17987	4.4
267.19409	17.7
309.26083	4.0
336.76126	2.3
337.28873	3.7
347.27365	4.3
349.08136	2.5
365.28128	3.2
375.30188	2.4
387.30499	8.6
393.31436	3.2
395.32922	3.5
405.31607	30.5
412.11847	4.5
423.13474	16.8
423.27554	4.1
423.32617	40.8
441.27133	5.3
441.33679	89.7
442.33728	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	441.3359
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
50.86984	0.3
53.03929	0.6
55.05509	2.9
57.07063	0.9
59.05001	0.4
62.66449	0.2
65.03943	0.3
65.68896	0.3
67.05502	3.7
69.03431	0.5
69.06733	0.5
69.07067	5.7
70.78254	0.6
71.04984	0.6
79.05488	3.7
80.21030	0.2
81.07052	13.7
81.07531	0.7
83.04954	0.4
83.08604	2.1
85.06548	0.6
87.04443	0.6
91.05474	4.3
92.54064	0.3
93.07037	7.6
95.04961	1.0
95.08600	13.8
95.40128	0.2
96.66875	0.2
97.06516	1.0
97.10152	0.9
99.04439	0.9
99.08075	0.5
100.84187	0.3
103.05430	0.4
103.44624	0.3
105.06311	0.4
105.07020	8.5
107.04949	0.8
107.08585	13.5
109.06509	9.5
109.10153	6.5
111.08102	1.5
113.09595	0.3
117.06997	1.9
119.08575	17.1
120.08953	0.3
121.06491	1.5
121.10133	10.0
121.29327	0.3
123.08074	2.3
123.11678	2.3
125.05975	0.3
125.09570	0.6
128.06204	0.4
129.07002	0.9
131.08559	4.3
133.06523	1.3
133.10121	7.6
135.08051	3.6
135.11694	4.3
137.09575	1.9
137.13231	1.3
139.11200	0.5
142.07773	0.4
143.08556	3.5
144.09105	0.3
145.10110	7.9
147.08063	1.8
147.11667	6.2
149.09583	2.6
149.13263	5.5
151.11162	0.7
151.14789	0.4
155.08519	0.8
155.10619	0.4
156.09328	0.4
157.10120	3.8
158.10818	0.3
159.08035	0.5
159.11682	5.7
160.12263	0.3
161.09613	2.0
161.13260	3.3
163.11162	1.1
163.14806	7.6
165.12781	1.6
169.10123	1.2
170.10912	0.6
171.11700	3.0
173.09619	0.8
173.13246	3.2
175.11232	1.4
175.14809	6.9
177.12766	0.9
177.16370	4.6
181.10201	0.5
183.11646	1.4
185.13257	4.1
187.11163	0.7
187.14807	6.9
189.12737	1.2
189.16382	1.5
191.14307	1.0
191.17950	1.3
193.12167	0.3
193.15820	0.4
195.11710	0.9
197.13268	1.2
199.14772	2.9
201.12714	0.9
201.16371	4.7
203.14294	29.6
203.18010	1.1
204.14664	1.0
205.15862	14.4
206.16284	0.6
207.17419	0.7
209.13310	0.8
211.14731	1.4
213.12814	0.5
213.16342	2.5
215.14317	0.9
215.17946	1.0
217.15932	1.4
217.19499	0.3
219.17494	0.9
221.15443	0.7
223.14786	0.8
225.16406	1.1
227.14317	0.3
227.17987	1.1
229.15865	1.2
229.19475	0.5
231.17432	2.4
233.18985	0.4
235.16919	0.7
237.16389	0.5
239.17903	0.7
241.15918	0.5
241.19534	1.0
243.17400	0.5
243.21092	0.3
245.15440	0.4
247.16927	0.4
251.17938	0.5
253.19518	2.0
255.17458	0.4
255.21086	0.8
257.18970	0.7
259.20578	0.6
267.21082	0.3
269.18948	0.8
271.20526	0.6
273.18500	1.2
273.21329	0.3
279.21094	0.5
281.19162	0.4
291.19739	0.3
295.20609	0.3
295.24124	0.4
299.20059	0.9
299.23340	0.4
309.22061	0.3
311.23865	0.7
327.23199	0.7
327.26785	0.5
337.25333	0.4
337.28940	0.6
345.24356	1.0
347.27344	0.4
349.25345	0.4
365.28476	0.5
371.25769	3.2
387.30283	1.6
395.33194	1.2
405.31396	3.3
423.32504	8.4
424.32657	0.9
441.09662	1.0
441.33597	100.0
442.33969	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	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54006	0.7
55.01869	1.7
55.05506	6.0
55.47377	0.6
57.07075	1.1
59.04980	0.8
59.67194	0.6
65.03963	1.0
67.05185	1.1
67.05506	13.9
69.03398	0.9
69.07066	10.1
71.04994	1.1
71.50962	1.1
75.78639	0.7
79.05486	8.6
80.11447	0.8
81.03406	2.1
81.07055	20.4
82.07385	0.7
83.04973	1.2
83.08639	4.0
85.02911	1.2
85.06511	1.3
91.05468	7.6
92.05861	0.9
93.06495	1.1
93.07041	16.7
95.04961	2.5
95.08608	34.2
96.08907	0.7
97.06557	3.6
97.10155	2.8
99.08116	0.7
105.07030	16.8
107.08592	28.2
109.02866	1.2
109.06512	1.4
109.10154	17.1
110.10474	1.7
111.04468	1.2
111.08098	4.9
111.11705	0.7
117.06983	1.3
119.08578	25.2
121.06485	6.3
121.10137	19.2
123.04437	4.6
123.08067	20.2
123.08963	1.1
123.11675	5.6
125.09609	1.5
129.07004	1.5
130.06532	1.2
131.08574	6.4
133.06511	1.1
133.10135	16.0
135.08029	3.1
135.11696	10.4
137.09628	4.8
137.13249	1.5
139.03920	7.8
140.90601	0.7
142.07770	1.0
143.08566	2.5
145.06490	3.2
145.10121	8.5
147.08052	3.1
147.11684	14.2
149.09586	6.5
149.13260	16.6
151.04013	1.2
151.07463	1.6
151.11122	2.3
153.01794	3.3
153.09093	1.9
157.10104	2.3
159.07936	1.1
159.09195	1.1
159.11719	4.6
161.09612	8.5
161.13248	5.8
163.11183	3.2
163.14825	8.8
165.09143	3.3
165.12735	1.1
169.10147	1.1
171.08116	0.8
171.11667	1.6
173.09616	0.7
173.13251	12.0
175.11176	2.9
175.14835	11.8
177.12918	1.5
177.16367	11.1
177.60457	0.7
179.03415	1.2
183.11708	1.1
185.13254	2.0
187.14806	10.8
189.12750	8.8
189.14388	0.9
189.14722	1.3
189.16373	15.5
191.14304	100.0
192.14619	3.1
193.15901	1.5
194.12555	1.0
197.09593	0.7
197.13344	0.9
199.14853	2.0
201.16379	4.5
203.14308	2.5
203.17964	12.6
205.15964	3.4
205.19586	2.1
213.16296	1.3
215.14252	0.9
215.17900	1.3
217.15916	2.7
217.19516	1.3
219.17523	1.4
221.18953	1.2
227.17897	1.2
229.15746	0.8
231.17375	2.4
231.21063	0.8
235.17001	1.0
237.12709	0.8
241.19458	1.0
246.93027	0.9
249.18584	1.4
251.16316	0.8
267.21051	0.8
271.24182	1.1
273.07516	0.8
273.14792	1.1
281.22726	1.5
287.16336	0.7
289.11838	1.7
299.23724	7.0
310.32120	0.8
325.25293	1.0
367.22681	2.9
376.43323	0.7
377.32013	5.9
395.33087	30.6
396.33405	1.7
405.24182	0.9
405.31503	1.6
423.32556	5.1
441.26791	5.9
441.33646	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	441.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.58627	1.0
55.01863	4.3
55.05282	1.1
55.05516	13.0
57.03434	2.5
57.07046	1.4
64.31794	1.3
67.05506	16.9
69.03416	3.5
69.07071	8.1
71.04971	1.8
78.94473	1.1
79.05495	15.0
81.03409	3.2
81.07053	23.9
83.04975	3.0
83.08626	5.9
85.06570	2.1
91.05486	15.8
93.07048	13.4
95.04981	3.2
95.08603	18.1
97.06533	2.6
97.10168	4.6
105.07024	17.5
107.04934	2.5
107.08594	14.8
109.06506	2.7
109.10148	10.9
115.05413	2.5
117.07046	7.2
119.04972	1.5
119.08582	12.8
121.06505	11.1
121.10156	8.5
123.08061	5.2
123.11703	4.8
125.09622	2.9
127.03878	1.4
128.06219	4.5
129.06058	1.9
129.06975	13.4
131.04900	8.4
131.08551	10.5
133.06497	6.4
133.10127	8.1
135.08058	3.3
135.11685	3.0
137.09598	3.8
137.13240	1.2
141.06978	5.4
142.07756	1.6
143.08569	11.5
144.05687	5.9
145.06483	74.2
145.10106	8.9
147.08038	5.1
147.11679	3.5
149.09656	2.2
149.13263	3.8
151.07549	4.2
153.01848	5.7
154.07722	1.4
155.08572	6.9
157.06485	10.7
157.10109	6.5
159.08015	6.3
159.11711	3.5
161.05927	7.3
161.09683	2.9
161.13289	2.1
163.14841	3.1
165.07068	2.9
165.09100	10.0
167.08578	3.7
169.06508	6.7
169.10150	3.2
170.07224	1.8
171.08058	14.4
171.11717	4.4
173.09630	2.9
173.13275	1.9
175.11153	2.5
175.14825	4.6
177.16411	1.8
179.08580	2.1
181.06508	3.5
181.10179	1.9
183.08105	7.5
183.11713	3.3
184.08864	1.3
185.09630	8.5
185.13277	3.2
187.11244	1.7
187.14844	3.3
189.16420	3.7
191.08669	1.5
191.17867	1.6
195.08060	5.5
195.11716	9.1
197.09604	5.5
197.13301	6.2
199.14857	2.1
201.16379	1.6
203.17958	2.7
205.12260	3.6
205.15939	1.3
209.09665	2.5
209.13289	2.9
211.11234	5.8
213.12764	3.2
221.13254	1.6
223.11198	5.8
225.12698	3.1
227.14247	11.8
229.16066	1.6
231.17444	1.4
235.11235	2.7
237.12750	10.1
239.14259	4.0
243.13834	3.2
251.14204	1.7
253.15927	1.4
255.13785	13.7
257.15414	2.3
265.16025	2.2
267.17548	1.3
271.06122	2.0
273.14850	28.9
274.15323	1.4
281.15390	4.2
283.16913	4.6
287.16620	1.8
293.15424	1.4
295.16983	2.1
297.18515	2.5
299.16376	2.6
311.16293	6.6
313.18082	1.8
321.22113	1.4
325.17963	2.4
331.20450	1.7
339.23160	9.9
349.17380	1.7
349.21609	32.1
350.21832	2.0
367.22662	60.5
368.22986	2.6
377.24976	2.5
385.23801	9.0
387.23175	2.7
395.25763	2.8
405.24243	12.1
405.29202	1.4
405.31717	2.4
423.25061	6.0
423.32535	2.5
441.26358	100.0
441.33386	9.6
442.26807	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	441.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20148	1.1
56.96555	6.4
69.03414	4.4
71.45055	2.7
78.80744	1.2
81.03420	1.5
84.96039	1.7
85.02885	5.9
91.05480	1.9
97.02902	4.4
98.97570	24.8
105.07073	1.4
109.02852	1.3
110.97572	3.1
115.05442	1.5
116.98621	15.0
119.98157	1.2
123.04388	1.7
127.03909	3.5
128.98598	5.5
132.08076	3.6
134.99660	5.7
137.05997	1.6
138.41254	1.4
139.03918	1.4
143.00169	1.9
143.01895	2.2
146.99635	5.5
147.04356	2.4
148.03769	1.4
152.98537	1.4
153.01788	11.2
158.99638	7.5
160.07564	100.0
161.01186	3.2
161.02907	2.1
161.07848	2.5
167.03551	1.3
170.99712	2.3
174.04395	1.6
177.00693	13.3
177.10201	15.2
182.99599	1.7
184.07590	1.5
189.00754	6.7
195.01707	1.6
201.00662	7.8
219.01743	12.3
219.04987	1.4
237.02803	6.1
237.05992	1.7
243.01631	2.5
253.04527	1.5
261.02823	15.6
261.10626	2.1
273.03015	1.3
279.03860	10.2
291.03854	2.7
297.04605	1.6
302.05414	2.2
303.01224	2.1
321.04971	7.3
321.08093	1.3
333.04742	1.9
441.08905	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	441.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.6
56.96558	26.2
57.03419	8.0
61.02914	13.3
63.43988	3.1
68.44221	3.7
69.03429	36.0
69.40182	11.0
69.40602	15.7
70.06590	36.4
71.04977	4.8
73.02904	9.4
75.21455	2.9
79.96321	3.9
80.43954	3.0
81.03417	16.4
84.96027	5.0
85.02904	59.9
87.04466	5.7
91.05478	23.7
91.65895	3.1
92.90605	3.4
97.02899	36.5
98.97576	86.0
99.04465	4.9
105.04751	3.4
108.08128	5.8
109.02840	7.2
109.06541	3.1
109.33282	3.2
110.46862	3.5
110.97572	15.5
116.07088	78.0
116.97843	4.2
116.98629	55.6
119.01920	12.8
119.04932	17.0
121.06427	3.2
123.04443	7.0
124.04070	3.9
127.03927	18.5
128.98618	33.8
131.01920	8.1
134.99640	24.5
136.06447	6.5
136.07573	78.4
137.05963	7.0
139.03928	4.0
140.98561	6.2
143.00156	12.6
143.01875	5.1
145.04988	6.8
145.06406	8.2
146.05995	8.1
146.99686	23.1
147.04416	9.4
148.07510	4.2
150.05482	8.8
153.01805	13.3
155.01924	4.1
156.08099	3.9
158.99658	35.0
159.03281	4.5
159.06781	5.8
160.07579	65.4
161.01204	16.9
161.02919	12.1
162.99142	3.8
163.03932	8.2
165.00723	4.4
167.03421	3.7
170.99652	20.2
171.06839	5.2
172.07547	44.9
173.02895	8.4
173.08279	7.3
174.09142	44.8
174.99142	3.8
176.07069	3.8
177.00697	41.3
178.08560	3.5
179.02271	3.8
179.07098	3.7
181.03374	3.8
182.99631	7.3
183.06725	8.3
184.07539	30.0
186.09148	11.5
189.00673	39.1
191.02174	5.4
195.05005	4.0
196.07579	11.1
198.09135	11.9
200.06987	5.8
201.00682	52.5
201.02373	5.1
202.08617	100.0
203.03938	8.3
207.01764	13.2
214.08617	16.2
216.10228	12.6
219.01724	51.0
219.05098	15.2
219.11234	17.4
221.04999	7.7
223.04707	5.0
226.08649	22.1
232.09714	35.7
237.02788	28.4
237.06026	8.4
243.01785	22.7
243.04587	3.6
244.04257	4.2
244.09735	3.9
245.05002	7.4
250.10785	19.7
257.00934	5.2
261.02838	84.5
261.06033	16.7
261.12387	5.1
262.10760	68.9
263.05621	3.4
271.06299	3.8
273.02814	5.2
275.02057	3.9
277.03433	31.7
278.03571	5.1
279.03879	61.8
279.13385	90.5
280.13684	5.0
291.03836	14.7
298.13080	5.3
301.06833	4.1
302.05524	8.2
303.01227	29.6
303.04044	3.9
304.01727	6.4
305.10699	4.1
321.04962	38.5
333.04767	4.4
348.06818	8.2
351.05933	9.7
375.79184	3.4
381.10822	4.3
394.14902	9.9
394.99283	7.3
399.11780	5.6
412.15967	8.4
424.15936	39.3
441.09000	22.1
441.18668	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79556	2.9
56.96544	4.2
64.80787	2.9
69.03420	4.5
69.87112	14.0
70.06596	6.5
77.47741	3.4
85.02914	4.9
91.05457	4.8
98.97584	6.7
107.04927	3.5
110.06025	3.8
113.02135	5.3
122.90615	3.0
123.04416	6.2
125.08404	7.2
127.03909	6.3
135.04475	3.6
153.01877	26.4
153.20427	3.9
160.18341	3.3
163.03859	6.6
163.24641	3.0
179.03427	8.3
204.07541	3.4
207.03212	4.9
223.30675	3.3
229.04967	3.9
237.02699	3.9
245.04358	4.2
271.06091	8.5
273.04199	3.9
279.13455	18.4
283.83856	3.4
285.68436	3.2
290.12119	3.4
309.06482	3.6
327.07654	8.3
441.11462	29.8
441.17331	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	441.173
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
65.64259	0.4
68.78415	0.4
69.03426	0.8
69.59532	2.9
70.06597	1.2
71.04983	0.9
71.20072	0.4
79.01842	0.7
81.03408	1.5
83.01074	0.7
85.02898	1.8
85.97032	0.4
91.05477	1.1
95.01103	2.0
95.04997	0.5
96.01881	1.1
97.02882	1.3
98.97604	0.9
105.07035	0.5
109.02866	1.5
110.06081	0.5
112.01367	0.9
113.02126	2.3
113.09673	0.7
123.04466	0.5
124.04019	0.6
124.81387	0.4
127.03915	19.4
127.04834	0.9
131.10764	0.6
137.02374	0.5
137.06007	0.7
140.07030	0.7
143.03386	1.7
147.04430	1.0
153.01833	16.7
153.02844	0.6
154.02191	0.7
157.04735	0.7
159.04408	0.7
163.03949	0.7
171.02950	1.1
175.03976	0.5
177.05554	0.5
179.03372	1.2
185.04260	3.0
189.05325	0.6
191.01674	1.2
201.03691	1.2
204.07556	2.1
237.02734	0.5
243.08481	0.6
245.21358	0.6
259.07895	0.7
261.03894	0.6
271.06219	0.9
279.12192	1.4
286.04575	0.5
297.06113	1.2
327.07608	0.7
441.17352	100.0
442.17688	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.30544	1.2
55.01859	6.0
55.05494	4.2
57.03432	12.0
57.07064	1.4
59.04990	1.9
61.02909	4.4
64.19877	1.3
67.05486	3.9
69.03428	15.1
69.07063	59.1
70.04034	2.6
70.04440	4.3
70.07414	1.1
71.01339	2.7
71.04989	1.9
73.02917	14.8
79.05481	3.0
81.03416	2.9
81.07043	3.4
83.04961	1.8
83.08606	4.5
85.02898	31.4
85.06545	1.4
87.04466	2.1
91.05455	2.8
93.07039	3.6
95.04954	3.5
95.08595	3.7
97.02889	18.3
97.06474	1.4
98.20892	1.2
99.04443	2.3
103.03943	1.8
103.05399	1.1
104.19019	1.2
105.07014	2.0
107.08599	2.2
109.02855	5.0
109.06518	1.2
109.10160	3.1
111.11714	28.0
113.09592	1.2
115.03909	9.3
115.05437	1.3
117.40384	1.1
119.08604	1.9
121.10137	2.5
123.04443	1.7
123.11698	2.1
127.03925	6.7
127.11172	2.2
129.05403	1.4
129.12750	48.6
132.06592	1.9
133.04961	10.2
135.04390	1.7
135.11700	1.4
137.05949	1.2
139.11134	1.8
141.12686	2.8
145.04950	9.5
147.11652	1.2
149.09569	1.4
150.07649	1.9
153.01811	11.2
153.12704	2.9
163.05997	3.4
170.02510	1.2
175.10875	1.3
176.72150	1.1
179.03374	2.3
193.12073	3.0
199.06107	1.3
207.13770	1.5
219.53030	1.0
245.06270	2.9
271.06030	2.4
289.05280	3.7
355.17303	11.0
397.18314	31.6
440.23004	3.3
441.17236	100.0
445.55228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.30544	1.2
55.01859	6.0
55.05494	4.2
57.03432	12.0
57.07064	1.4
59.04990	1.9
61.02909	4.4
64.19877	1.3
67.05486	3.9
69.03428	15.1
69.07063	59.1
70.04034	2.6
70.04440	4.3
70.07414	1.1
71.01339	2.7
71.04989	1.9
73.02917	14.8
79.05481	3.0
81.03416	2.9
81.07043	3.4
83.04961	1.8
83.08606	4.5
85.02898	31.4
85.06545	1.4
87.04466	2.1
91.05455	2.8
93.07039	3.6
95.04954	3.5
95.08595	3.7
97.02889	18.3
97.06474	1.4
98.20892	1.2
99.04443	2.3
103.03943	1.8
103.05399	1.1
104.19019	1.2
105.07014	2.0
107.08599	2.2
109.02855	5.0
109.06518	1.2
109.10160	3.1
111.11714	28.0
113.09592	1.2
115.03909	9.3
115.05437	1.3
117.40384	1.1
119.08604	1.9
121.10137	2.5
123.04443	1.7
123.11698	2.1
127.03925	6.7
127.11172	2.2
129.05403	1.4
129.12750	48.6
132.06592	1.9
133.04961	10.2
135.04390	1.7
135.11700	1.4
137.05949	1.2
139.11134	1.8
141.12686	2.8
145.04950	9.5
147.11652	1.2
149.09569	1.4
150.07649	1.9
153.01811	11.2
153.12704	2.9
163.05997	3.4
170.02510	1.2
175.10875	1.3
176.72150	1.1
179.03374	2.3
193.12073	3.0
199.06107	1.3
207.13770	1.5
219.53030	1.0
245.06270	2.9
271.06030	2.4
289.05280	3.7
355.17303	11.0
397.18314	31.6
440.23004	3.3
441.17236	100.0
445.55228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05544	1.2
55.01863	6.6
55.05502	5.4
57.03432	12.7
59.04991	2.6
61.02914	5.9
67.05501	3.4
69.03425	16.1
69.07066	69.8
69.83193	7.0
70.07379	1.4
71.01337	2.1
71.04992	2.3
73.02910	19.0
79.05470	2.5
81.03395	3.7
81.07048	4.5
83.05019	1.7
83.08613	7.1
85.02901	41.4
85.06546	1.8
87.04471	2.7
91.05482	3.4
93.07011	4.1
95.04972	3.7
95.08581	3.6
97.02888	19.4
99.04466	1.6
103.03966	2.1
105.07075	2.2
107.08582	2.7
109.02890	3.8
109.06526	1.3
109.10143	3.8
111.11714	37.9
113.19648	1.3
115.03925	11.2
115.53883	1.3
119.08586	3.1
121.10154	4.4
123.04430	1.5
123.08086	2.6
123.11705	2.6
124.03969	2.5
127.03918	9.9
127.11092	1.4
129.12752	61.3
132.06590	2.2
133.04962	18.1
133.10072	1.8
135.04498	1.6
135.11714	1.9
137.09550	1.5
137.13286	1.5
139.03922	2.4
139.11172	2.1
141.12743	2.9
141.75183	1.3
145.04956	13.3
145.10159	1.5
149.09607	2.1
150.07622	2.7
153.01791	11.3
153.02846	1.4
153.12753	2.0
163.06082	3.2
179.03378	4.3
193.11935	2.6
221.11447	1.7
237.14862	2.4
241.07181	1.9
243.15778	1.7
245.06291	2.4
255.15872	3.0
271.06085	4.4
289.05386	2.4
355.17242	11.4
397.18335	32.6
404.47058	1.4
440.23434	2.6
441.17267	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05544	1.2
55.01863	6.6
55.05502	5.4
57.03432	12.7
59.04991	2.6
61.02914	5.9
67.05501	3.4
69.03425	16.1
69.07066	69.8
69.83193	7.0
70.07379	1.4
71.01337	2.1
71.04992	2.3
73.02910	19.0
79.05470	2.5
81.03395	3.7
81.07048	4.5
83.05019	1.7
83.08613	7.1
85.02901	41.4
85.06546	1.8
87.04471	2.7
91.05482	3.4
93.07011	4.1
95.04972	3.7
95.08581	3.6
97.02888	19.4
99.04466	1.6
103.03966	2.1
105.07075	2.2
107.08582	2.7
109.02890	3.8
109.06526	1.3
109.10143	3.8
111.11714	37.9
113.19648	1.3
115.03925	11.2
115.53883	1.3
119.08586	3.1
121.10154	4.4
123.04430	1.5
123.08086	2.6
123.11705	2.6
124.03969	2.5
127.03918	9.9
127.11092	1.4
129.12752	61.3
132.06590	2.2
133.04962	18.1
133.10072	1.8
135.04498	1.6
135.11714	1.9
137.09550	1.5
137.13286	1.5
139.03922	2.4
139.11172	2.1
141.12743	2.9
141.75183	1.3
145.04956	13.3
145.10159	1.5
149.09607	2.1
150.07622	2.7
153.01791	11.3
153.02846	1.4
153.12753	2.0
163.06082	3.2
179.03378	4.3
193.11935	2.6
221.11447	1.7
237.14862	2.4
241.07181	1.9
243.15778	1.7
245.06291	2.4
255.15872	3.0
271.06085	4.4
289.05386	2.4
355.17242	11.4
397.18335	32.6
404.47058	1.4
440.23434	2.6
441.17267	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.9
53.03928	3.8
55.01844	1.9
55.05511	26.5
57.03440	8.6
57.07070	6.8
57.35295	1.6
59.04994	3.6
61.02913	1.6
65.03934	4.2
66.36839	1.7
67.05503	100.0
69.03410	5.5
69.07069	24.5
71.04984	6.9
71.08648	1.7
71.24929	4.1
71.91231	1.5
79.05492	26.4
81.03420	26.7
81.07053	71.3
83.04974	8.5
83.08617	24.9
85.02898	15.8
85.06536	12.9
91.05476	38.9
93.07040	49.9
95.04953	14.4
95.08604	82.4
97.02930	1.8
97.06528	8.7
97.10153	6.5
99.08101	2.8
105.07025	56.1
107.04931	4.8
107.08589	71.7
108.08909	3.2
109.06494	4.0
109.10151	98.0
110.10486	2.7
111.04398	2.8
111.08072	17.4
111.11676	2.6
113.09670	3.3
115.05422	2.4
117.07009	8.5
119.08576	79.8
120.08895	2.9
121.06487	4.8
121.10135	54.9
123.04417	2.4
123.08064	4.9
123.11703	25.5
125.09628	4.7
128.06227	2.3
129.06985	8.0
130.07809	1.7
131.08560	22.1
133.10127	67.8
135.08047	2.9
135.10710	2.7
135.11685	40.2
137.05994	2.3
137.09590	5.8
137.13231	7.0
139.11162	4.2
141.06801	1.7
142.07761	3.7
143.08586	10.1
145.10120	32.4
147.08017	4.4
147.11674	51.9
148.11960	2.2
149.09641	7.6
149.13251	21.6
151.07512	2.1
151.11186	7.3
155.08548	3.1
156.09369	2.3
157.10120	13.6
158.10828	1.9
159.08107	1.9
159.11682	31.3
161.09601	3.7
161.13249	32.3
163.11160	2.8
163.14809	17.8
165.12732	5.2
169.10129	5.3
170.10860	1.7
171.11679	11.9
173.11720	15.2
173.13257	22.5
175.11177	6.5
175.14830	25.0
177.12715	3.3
177.16357	13.3
179.14316	4.9
179.81502	1.8
183.11691	6.2
185.13257	10.2
187.14799	19.2
189.12764	3.2
189.16367	29.9
190.83270	1.7
191.03450	8.2
191.14316	5.7
191.17976	11.1
193.12215	25.7
193.15874	8.7
195.11601	2.4
197.13403	7.8
199.14778	11.8
199.50850	1.5
201.12787	1.9
201.16356	17.9
203.14291	3.9
203.17967	40.0
205.15924	2.7
205.19492	2.5
207.17429	5.7
211.13271	24.6
211.14882	3.8
213.16342	9.3
214.17213	2.4
215.14203	1.9
215.17949	13.8
217.08578	2.4
217.15906	5.1
217.19534	6.5
219.17395	6.3
221.18936	7.9
225.16399	3.3
227.17908	8.7
229.15988	2.3
229.19469	9.5
231.17375	9.8
231.20990	1.9
233.19032	4.8
239.17900	2.6
241.19571	6.7
243.17415	3.5
243.21007	4.7
245.19019	4.0
247.16829	2.2
247.20602	2.4
253.19533	3.1
255.21088	4.6
257.22604	2.9
259.20514	4.7
261.22031	1.8
267.15787	1.8
267.21066	7.0
269.22623	5.4
271.20517	2.7
273.22107	3.2
275.23663	2.6
281.22726	4.5
283.20404	2.3
285.22031	10.3
287.23663	4.8
295.24069	2.3
299.23563	3.4
301.21786	1.7
309.25397	2.0
313.25128	2.6
329.24527	3.3
343.26331	1.9
351.26880	3.3
355.26358	5.3
393.16534	1.7
393.31003	3.6
393.35202	5.3
403.33597	4.2
411.36475	2.7
421.34818	37.4
439.26883	30.5
439.36139	53.4
440.27054	2.2
440.36130	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01876	3.0
55.05514	25.1
57.03419	6.7
57.07062	7.1
58.78598	1.7
59.04988	4.9
62.19766	1.5
64.51937	1.5
65.03921	3.1
65.60117	1.4
67.05502	99.4
68.05821	2.2
69.03418	7.5
69.07068	26.6
69.79153	1.6
69.82121	9.6
71.04977	7.0
71.08620	2.0
77.03916	2.1
79.05487	29.4
81.03414	28.8
81.07052	73.9
83.04966	10.6
83.08616	26.5
85.02903	14.6
85.06538	11.1
91.05479	39.5
92.05830	1.8
93.07042	58.1
93.07632	3.3
95.04957	15.1
95.08601	87.4
96.08913	3.2
97.02885	2.6
97.06504	14.7
97.10147	9.9
98.20881	2.1
99.04467	2.5
99.08085	2.7
102.32534	1.6
102.33334	1.5
103.05475	1.8
105.06315	2.9
105.07024	57.9
107.04933	5.1
107.08591	70.7
108.05347	2.0
108.08885	2.4
109.02884	2.7
109.06500	6.3
109.10153	100.0
111.04420	2.8
111.08089	19.6
111.11692	3.8
113.09634	4.1
115.05361	2.6
117.07019	10.1
119.08578	84.5
120.08917	2.2
121.06475	6.8
121.10139	60.3
123.08051	6.1
123.11697	22.4
124.19409	1.7
125.09625	7.1
127.03900	2.9
128.06267	2.7
129.07042	8.8
130.07780	2.3
131.08572	27.8
133.06607	2.2
133.10123	59.3
135.04401	1.8
135.08052	10.5
135.11678	37.7
136.12036	1.7
137.06009	3.6
137.09639	8.5
137.13235	8.3
139.07521	2.5
139.11168	4.1
142.07790	4.3
143.08569	11.4
144.09340	1.9
145.06641	2.6
145.09079	1.1
145.10114	34.8
147.08031	11.4
147.11678	41.9
149.09621	8.0
149.13242	22.9
151.07597	2.2
151.11194	4.7
155.08534	2.8
155.10712	2.5
156.09369	2.7
157.10126	17.3
159.11682	29.6
160.08884	1.8
160.12161	2.8
161.09619	14.0
161.13261	36.5
163.07538	2.3
163.11127	2.4
163.14824	19.2
165.09094	3.3
165.12746	6.0
168.09314	1.6
169.10100	5.5
170.10866	2.6
171.11703	15.8
172.12447	2.0
173.09607	5.3
173.11713	13.9
173.13261	20.3
175.11189	15.8
175.14815	28.8
177.09171	1.8
177.12701	4.2
177.16367	28.6
179.14288	3.5
183.11671	6.9
185.09663	2.1
185.13260	16.5
186.13963	2.1
187.11235	4.7
187.14796	34.1
188.15150	2.0
189.09148	1.9
189.12767	14.2
189.16379	37.8
191.03357	4.5
191.14362	10.4
191.18004	11.4
193.12241	25.6
193.15921	5.5
195.11710	2.3
197.13261	6.2
199.14839	10.0
201.12755	7.6
201.16400	19.8
203.14313	17.5
203.17950	31.2
204.18129	2.6
205.15845	5.4
205.19456	3.1
207.17474	2.6
211.13297	22.1
211.14931	4.4
213.16399	10.6
215.14333	7.8
215.17883	11.4
217.15810	7.2
217.19484	4.3
219.17451	7.3
221.15530	2.2
221.19000	8.2
223.14845	2.1
225.16449	4.5
227.17941	7.9
229.16116	2.8
229.19461	8.8
231.17461	6.9
231.20990	3.0
233.18848	3.4
237.16476	2.5
239.17979	3.7
241.19470	5.2
243.17549	2.6
243.21036	4.2
245.19031	3.5
251.17725	2.0
253.19449	2.6
255.21217	2.7
257.22534	2.9
259.20496	6.3
261.22256	2.0
267.15805	3.1
267.21033	5.0
269.22549	3.3
271.24149	1.8
273.22238	2.3
279.21100	2.0
281.22714	2.4
283.24063	2.2
285.22095	8.5
287.23813	3.0
297.22110	3.7
299.23712	2.3
309.25754	2.2
313.24902	2.0
325.25040	3.0
329.24826	2.3
343.26303	2.0
355.26370	4.8
375.30267	3.9
393.31171	20.9
403.33682	5.9
421.25897	2.7
421.34897	33.6
439.27274	33.8
439.31345	9.9
439.36633	39.9
440.27441	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29462	1.8
55.05509	16.6
56.08880	1.9
57.07091	9.5
67.05498	23.3
69.07065	23.8
70.56760	6.8
70.57108	2.3
71.08624	2.2
74.29545	2.1
79.05491	13.8
81.07056	57.7
83.08617	13.7
87.60260	2.0
91.05464	14.1
93.07031	32.0
95.05003	2.2
95.08603	94.6
97.10167	8.5
98.21437	2.5
105.07024	30.8
105.07697	2.5
107.08590	54.2
109.10145	51.1
111.11699	2.1
119.08578	63.3
121.10136	42.9
121.10813	1.5
123.11701	31.1
125.09566	2.2
131.08572	8.6
133.10129	39.0
135.11673	29.8
137.13243	29.2
143.08609	4.3
145.10106	12.5
147.11668	40.0
149.13235	24.5
153.09123	7.0
159.11690	12.3
161.13263	22.4
163.14836	15.9
167.10728	4.2
171.11646	4.3
173.05058	2.0
173.13272	10.0
175.14835	17.1
177.16325	9.4
179.17903	4.2
185.13283	3.7
187.14816	8.4
189.16371	62.9
191.17926	58.7
199.14865	2.8
201.16379	17.3
203.17946	100.0
205.19525	23.1
207.13792	2.4
213.16429	9.3
215.17950	39.2
217.19475	16.0
221.19128	3.6
227.12801	2.1
229.19521	2.5
231.17455	3.2
231.21109	4.1
235.16971	7.2
241.19522	3.0
245.22600	2.7
247.16928	4.9
249.18494	16.0
253.16161	1.9
257.22641	4.4
259.16888	12.4
261.18478	19.5
269.22763	4.7
270.47235	1.9
287.19922	3.0
287.45508	1.9
289.21597	2.9
301.21335	2.9
393.35229	11.5
418.44058	2.1
421.35046	2.9
439.30936	2.5
439.36206	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.5
57.07072	10.1
60.27624	1.2
67.05502	20.0
69.07056	14.9
69.32068	12.7
79.05492	8.2
79.76646	1.1
81.07048	71.3
83.08610	9.2
91.05450	6.8
93.07027	14.4
95.08600	100.0
97.10140	4.2
98.20825	2.9
105.07014	11.8
107.08578	16.7
109.10146	43.0
117.06998	2.7
119.08562	14.7
121.10141	14.3
123.11692	33.2
125.13268	1.4
129.06973	2.4
131.08556	8.9
133.10118	9.7
135.11688	9.3
137.13237	56.4
138.04909	1.4
143.08519	5.0
145.10110	11.9
147.11665	8.8
149.05856	1.7
149.13240	9.5
151.14807	3.5
157.10085	6.5
159.11693	8.6
161.13248	7.2
163.14777	4.5
169.10167	1.4
171.11682	7.4
173.13264	6.5
175.14850	8.7
177.12796	1.5
177.16341	5.3
179.17981	9.0
185.13274	6.2
187.14743	7.5
189.16338	5.4
191.17902	4.3
193.15891	1.5
193.19543	1.3
197.13103	1.7
199.14827	8.1
201.16376	11.0
203.17900	5.7
205.19543	3.6
207.17339	1.7
213.16396	12.8
215.17865	9.4
217.19411	3.1
225.16432	1.8
227.17917	3.5
229.19516	2.5
235.32869	1.4
241.19495	7.8
243.21153	7.5
245.15321	1.6
255.21028	5.7
257.22681	2.0
259.16861	8.1
269.22647	5.2
273.18753	1.6
283.24051	1.6
287.20023	3.3
329.24411	1.6
355.26303	1.6
393.35110	21.2
417.87784	1.4
421.34628	3.7
439.35745	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.6
57.07059	5.4
67.05506	14.4
69.07060	16.2
70.97962	2.9
71.08638	1.7
79.05495	10.1
81.06592	2.2
81.07049	30.5
83.08618	8.5
91.05464	10.6
93.07043	26.0
94.66093	1.1
95.04989	2.2
95.08604	63.1
97.10165	6.6
105.07025	27.2
107.08588	43.2
109.10158	39.5
111.08031	1.5
111.11697	1.3
117.07030	1.5
119.08574	50.6
121.10139	41.7
123.11697	16.1
131.08569	5.4
133.09135	1.9
133.10129	36.7
135.07980	1.4
135.11678	24.9
137.13222	9.4
139.07578	1.4
139.11162	1.1
143.08513	1.4
145.10124	7.8
147.11678	39.6
149.13260	19.1
151.14799	2.3
153.09094	5.8
159.11714	5.9
160.12425	1.6
161.09705	1.4
161.13240	20.1
163.14807	15.8
167.10646	5.5
171.11678	1.2
173.13293	4.5
174.14049	1.5
175.14825	17.6
177.16376	7.7
179.10582	1.4
179.17972	1.7
185.13184	2.4
187.14792	5.9
189.16371	55.1
190.16649	3.0
191.17940	66.4
192.18320	1.8
199.14850	1.8
201.16374	15.6
203.17941	100.0
204.18272	3.8
205.19514	20.4
207.17390	2.6
213.16380	2.7
215.17958	10.0
217.19531	16.3
219.17404	1.4
221.19022	5.1
229.19574	2.9
231.17377	2.6
231.21104	4.6
235.16901	5.5
241.19502	2.0
243.21117	2.6
245.22632	4.4
247.16913	4.6
249.18457	19.4
257.22675	2.8
259.16776	1.7
261.18512	4.5
283.24469	1.6
393.35153	8.1
411.36011	1.4
421.34695	2.3
439.30176	1.9
439.36078	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.6
57.07067	7.3
67.05496	29.3
69.07067	43.9
79.05480	14.6
81.07047	68.7
83.08590	11.6
87.04456	5.6
91.05463	18.3
93.07037	43.0
95.08601	100.0
97.10133	5.2
101.99672	3.3
105.07024	41.1
107.08590	71.2
109.06470	7.2
109.10144	66.1
111.08057	3.8
111.11699	11.0
117.07027	4.2
119.08572	68.6
121.06516	4.1
121.10139	65.5
123.08032	6.1
123.11691	31.8
128.06252	3.7
129.06995	4.7
131.08534	19.7
133.10114	42.0
135.11693	33.6
137.09566	7.0
137.13254	27.2
142.07805	5.7
143.08542	15.2
144.09297	4.5
145.10112	30.9
147.11685	30.0
149.09581	5.8
149.13251	21.7
156.09300	4.3
157.10112	25.4
159.11691	36.4
161.09647	5.9
161.13254	29.0
163.11159	3.9
163.14795	14.3
165.12767	4.5
169.10028	6.9
170.10930	4.1
171.11655	17.1
173.13242	30.4
175.11121	6.5
175.14853	26.3
177.12715	9.1
177.16360	14.0
183.11665	6.0
185.13141	15.8
187.14816	13.7
189.12810	3.4
189.16393	19.8
191.14149	4.6
191.17964	54.2
193.15872	6.2
197.13254	7.2
199.14821	17.3
201.16383	11.8
203.14328	18.6
203.17929	40.1
205.19505	13.9
211.14761	7.1
213.16399	12.3
215.14410	4.4
215.17914	9.9
217.15855	9.3
217.19472	15.2
219.17413	6.3
221.15294	7.0
225.16263	6.0
227.17857	4.9
229.19484	5.1
231.17448	5.6
231.20996	3.4
235.16914	32.4
239.17889	4.7
241.19536	5.4
247.16914	5.9
249.18471	11.9
261.18451	5.6
269.22662	5.2
275.20044	5.3
311.27261	4.8
363.30588	4.7
393.35172	4.6
403.33264	11.7
421.34512	20.9
439.35867	61.6
440.35916	4.3
447.02063	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05510	4.4
57.07068	1.4
59.05014	0.7
65.82784	0.7
67.05251	0.6
67.05507	6.6
69.03426	1.7
69.07069	7.8
70.39021	0.7
70.71638	2.4
76.67283	0.7
79.05483	3.0
79.90291	0.8
81.07050	11.3
83.04984	1.6
83.08612	3.4
86.09705	1.1
89.06013	0.9
91.05488	2.8
93.07051	6.7
95.04980	1.5
95.08604	49.9
97.06532	1.0
97.10151	1.4
97.10764	0.9
105.07025	6.0
107.08588	11.4
109.06504	1.9
109.10152	9.4
111.08076	1.2
117.06992	1.2
119.08585	11.7
121.06487	1.1
121.10137	12.0
123.08048	2.3
123.11723	6.1
125.09693	0.9
131.08548	2.4
132.37059	0.7
133.10120	10.9
135.08070	2.0
135.11685	7.3
137.09604	1.4
137.13257	3.3
143.08557	1.0
145.10083	3.7
147.08015	1.2
147.11674	7.1
149.09605	5.1
149.13243	4.4
157.10077	2.3
157.59624	0.8
159.08060	1.0
159.11682	2.9
161.09607	1.3
161.13245	3.2
163.11186	1.4
163.14812	3.0
171.11586	1.5
173.09631	1.2
173.13243	3.1
175.14792	3.3
177.16420	1.7
185.13290	1.7
187.14822	2.4
189.12804	1.2
189.16373	6.5
191.14296	0.9
191.17862	5.7
199.14880	1.5
201.12692	0.8
201.16379	2.7
203.17899	7.7
205.19495	2.9
207.17366	1.3
215.14355	1.3
215.17978	2.2
217.15868	3.0
217.19461	1.2
219.17484	1.2
225.16380	1.7
227.17896	1.2
231.17479	1.8
233.18999	1.5
235.16783	1.1
243.20824	0.8
283.20712	1.4
287.23853	1.1
301.21579	1.8
313.25269	1.7
327.26834	4.5
351.30563	0.8
357.28131	0.8
379.33810	0.8
381.31329	2.4
393.35349	1.2
403.33469	1.2
411.36203	0.8
421.34662	34.8
422.35004	1.4
439.35721	100.0
440.36246	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03952	2.9
55.05507	21.2
57.03428	3.5
57.07078	6.3
58.01075	1.4
59.04999	3.0
65.03933	2.9
67.05502	48.2
69.03415	2.9
69.07067	34.0
71.04974	2.9
71.08624	1.6
71.52333	1.9
71.85618	1.3
79.05487	23.2
81.03424	6.1
81.07051	64.4
82.07391	1.7
83.04973	4.1
83.08614	18.2
84.30363	1.5
85.02908	4.3
85.06545	8.1
91.05476	30.9
93.07040	51.1
94.07346	1.3
95.04947	7.4
95.08604	100.0
96.08968	1.6
97.06503	3.9
97.10158	8.8
97.94924	1.3
99.08049	1.3
102.64454	1.4
105.07029	47.1
107.04960	2.3
107.08590	80.2
109.06520	5.1
109.10149	71.7
110.10443	1.2
111.08090	8.7
111.11706	3.2
113.09649	2.8
115.05424	1.4
117.07014	8.8
119.08576	84.3
121.06488	2.1
121.10139	64.8
123.08092	6.0
123.11697	23.7
125.09612	5.8
128.06224	1.5
129.07010	5.5
131.08568	19.2
133.10124	51.6
135.08064	4.6
135.11688	44.5
135.12715	2.3
137.09645	5.8
137.13237	12.9
139.11133	1.8
143.08569	7.8
144.09332	3.0
145.10120	38.5
147.08017	2.6
147.11673	41.2
149.09634	3.9
149.13252	26.9
151.11203	5.3
151.14835	3.8
153.09099	2.9
155.08586	1.7
156.09344	1.4
157.10135	13.2
158.10934	2.3
159.11682	33.4
161.09592	2.7
161.11995	2.5
161.13258	31.4
163.11171	4.1
163.14835	21.0
163.16154	2.4
165.12747	3.8
169.10146	3.0
171.11639	12.9
172.12457	2.0
173.11765	3.5
173.13223	31.1
175.11191	3.9
175.14821	29.4
177.12733	5.5
177.16385	23.1
179.14279	2.8
179.17908	2.2
181.10251	1.5
183.11708	5.8
185.13196	9.1
187.11130	1.5
187.14822	28.2
189.12747	2.2
189.16370	37.9
191.14314	4.9
191.17940	22.5
192.14752	1.4
193.12299	6.2
193.15883	7.1
197.13280	4.5
199.14825	10.6
201.16377	31.7
203.14284	5.1
203.17949	41.5
205.15884	10.7
205.19449	8.2
207.17422	5.3
211.13248	3.9
211.14853	4.1
213.16365	13.5
215.14526	2.7
215.17943	26.3
217.12300	3.3
217.15897	4.5
217.19536	11.2
219.17455	9.1
219.20995	2.4
221.15326	1.6
221.18965	2.2
223.16995	1.9
225.16319	4.3
227.17993	8.3
229.15915	2.2
229.19476	9.9
231.17514	6.0
231.21054	4.5
233.15434	2.1
233.19028	5.8
235.16959	3.3
239.17831	1.8
241.15938	2.1
241.19482	6.3
243.17473	3.4
243.21075	7.3
245.15430	2.3
245.18932	4.4
245.22612	1.8
247.16864	2.8
249.18533	3.2
253.19476	4.5
255.17252	2.1
255.21030	4.0
257.19009	2.1
257.22653	1.7
259.17004	5.3
259.20532	2.8
261.18344	6.9
265.19293	1.8
267.21008	2.3
269.19025	1.3
269.22662	4.2
271.24161	1.6
273.22177	2.6
281.22604	2.9
283.20987	1.5
283.24234	3.6
285.22311	2.5
293.22281	1.8
295.24231	2.6
297.25568	1.9
309.25806	3.0
313.25180	1.9
315.23090	2.2
327.26767	2.1
329.24771	2.6
343.26270	3.3
355.26340	3.7
393.35495	8.7
403.34128	6.3
411.08374	1.7
421.34973	35.1
439.07349	2.2
439.26563	8.8
439.36221	87.1
440.36179	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.05500	21.0
57.03415	3.1
57.07059	5.6
59.72136	1.7
62.11451	2.0
65.03932	3.4
67.05502	51.0
69.07072	29.3
69.45040	18.6
71.04981	2.6
74.79985	1.9
79.05492	25.8
81.03413	8.2
81.07056	61.7
83.04955	2.7
83.08621	16.8
85.02908	4.1
85.06536	6.2
91.05463	24.7
93.07039	46.9
95.04984	10.0
95.08605	100.0
97.06534	4.2
97.10168	11.4
99.08152	2.4
104.60208	2.1
105.06326	2.6
105.07029	51.6
107.08590	78.8
109.06532	4.0
109.10155	78.7
111.08072	8.2
111.11708	2.7
117.07038	7.8
119.08577	73.2
121.10134	66.2
123.08054	3.6
123.11715	28.9
125.09598	3.6
129.07037	6.2
131.08583	19.3
133.10117	53.6
134.10449	2.7
135.08104	3.3
135.11691	48.4
137.09650	2.8
137.13223	14.5
142.07729	3.0
143.08595	7.0
144.09322	2.7
145.10136	25.9
146.10822	2.3
147.11700	38.6
149.09637	3.6
149.13245	28.1
150.82990	2.4
151.11157	4.4
151.14847	3.0
155.08507	2.1
157.10121	13.6
159.11673	27.8
160.12347	3.0
161.13260	35.5
161.14500	1.5
162.07945	2.3
163.11131	2.7
163.14801	18.0
171.11688	6.1
173.11868	2.9
173.13231	18.2
175.11224	2.2
175.14828	24.6
177.12666	2.4
177.16377	49.5
179.14273	5.5
183.11670	4.4
185.13266	8.6
187.14793	20.4
189.12692	2.8
189.16374	55.1
191.14301	4.3
191.17960	17.2
193.12259	8.2
193.15892	2.7
195.11787	2.9
197.13234	5.6
199.14891	11.8
201.12674	3.7
201.16394	31.1
203.17932	36.7
205.15997	3.6
205.19476	5.7
207.17523	5.1
209.13290	2.6
211.13219	5.0
213.16386	8.3
215.17888	13.2
217.15877	4.7
217.19534	7.6
219.17505	6.0
219.21138	3.2
225.16425	2.5
227.17964	6.8
229.19518	9.2
231.17461	2.9
231.21086	3.6
235.16875	4.4
241.15845	3.2
241.19531	6.8
243.21092	5.6
245.18950	3.2
253.19557	4.3
255.21126	4.3
259.20502	3.4
269.22641	3.4
273.22095	3.2
281.22641	2.3
283.24225	6.1
285.22214	4.9
297.25632	5.2
309.25839	4.1
329.24786	8.5
343.26321	8.3
355.26300	16.7
383.29480	3.7
393.35443	14.2
403.33551	6.3
409.34683	2.8
421.34827	40.7
439.27509	10.6
439.36118	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01873	1.5
55.05508	17.7
57.03433	8.6
57.07069	3.2
59.04994	4.6
65.03931	3.8
67.05502	100.0
67.43233	1.0
68.05824	1.2
69.03408	2.3
69.07061	14.9
70.00799	4.0
70.48431	1.0
71.04981	5.0
71.08602	1.6
79.05482	18.2
79.32748	1.2
81.03415	25.7
81.07052	40.8
83.04981	6.9
83.08607	17.3
85.02909	14.4
85.06544	3.3
91.05473	23.6
93.07037	27.5
95.04957	12.6
95.08604	33.5
95.09184	2.3
97.06544	3.6
97.10168	4.7
99.04560	1.3
99.08067	1.7
105.07026	26.6
106.07408	1.1
107.04917	1.8
107.08583	30.1
109.06519	3.6
109.10151	71.9
111.08073	10.0
111.11711	1.4
113.06036	1.2
117.07011	3.0
119.08576	38.7
121.06463	1.2
121.10139	26.8
121.10941	2.1
123.08051	3.5
123.11695	9.1
125.09610	3.1
128.06207	1.2
129.07021	6.2
131.08572	12.1
133.10120	20.1
135.08128	1.6
135.11693	16.1
137.09601	7.3
137.13248	4.4
142.07784	2.4
143.08562	5.3
145.10109	11.8
147.08072	1.7
147.11673	17.5
149.09607	4.1
149.13261	9.1
151.11208	2.3
155.08542	1.5
155.10681	3.2
156.09308	1.9
157.10101	10.6
158.10977	1.2
159.11671	11.6
161.09734	1.3
161.13245	11.1
163.11162	1.5
163.14825	10.4
165.12766	6.3
169.10152	3.0
171.11646	9.2
173.11729	15.3
173.13275	14.5
175.11191	7.8
175.14832	9.2
177.12822	1.5
177.16389	6.4
179.14275	2.4
181.10168	1.3
183.11641	2.7
184.12604	1.9
185.13295	7.3
187.14763	7.2
189.12769	1.9
189.16379	14.0
191.14262	2.5
191.17928	3.2
193.12241	27.2
193.15898	2.6
194.12560	1.2
195.11688	1.4
197.13248	3.2
199.14888	3.1
201.16313	8.1
203.14262	1.8
203.17877	5.3
205.16051	1.5
206.78557	1.0
207.17412	13.4
209.13234	1.6
211.13243	34.0
212.13713	1.2
213.16353	3.9
215.14442	1.4
215.17934	3.9
217.12204	22.3
217.19653	1.3
219.17439	2.7
223.14690	1.3
225.16437	2.7
227.17952	3.8
229.14207	1.5
229.19499	4.9
237.16359	1.3
239.17880	2.4
241.19472	4.0
243.17491	2.2
243.21069	1.6
245.18994	1.8
251.18011	1.4
253.19591	2.9
255.21046	2.0
259.20636	3.1
263.17880	1.2
265.19571	1.5
267.15964	3.0
267.21045	2.7
269.19116	1.5
269.22665	1.3
271.20486	2.6
277.21567	1.5
283.24380	1.4
285.22095	1.5
287.23492	1.3
293.22641	1.5
299.23383	1.8
309.25632	2.1
311.23703	1.7
313.64493	1.1
329.25000	1.5
391.33563	1.3
393.35101	2.3
403.33713	6.9
421.25705	2.7
421.34833	20.4
422.35098	1.2
439.26810	46.7
439.35715	46.4
440.27155	4.5
440.36337	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03930	1.9
55.05507	18.3
57.03429	1.8
57.07078	6.0
59.04989	2.4
65.03936	2.9
66.75111	0.9
67.05503	33.1
69.07066	26.2
70.34911	3.1
71.04982	1.4
71.08617	1.9
77.03912	1.5
79.05491	23.8
81.03408	2.1
81.07050	61.6
83.04960	1.7
83.08613	13.5
85.02904	1.8
85.06543	6.6
91.05473	26.6
91.06024	1.8
93.07037	59.3
94.07359	1.4
94.66412	0.8
95.05000	4.2
95.08601	100.0
96.08955	1.4
97.06532	2.6
97.10151	8.1
99.08106	1.8
103.90809	1.0
105.04514	1.1
105.06427	1.0
105.07021	49.7
107.08586	84.2
108.08923	1.2
109.06521	3.2
109.10149	77.6
111.08087	9.2
111.11716	2.4
113.09656	2.5
116.68934	0.8
117.06991	7.4
119.08572	88.0
120.08918	1.4
121.10136	85.3
122.10462	1.6
123.08065	3.1
123.11696	32.0
125.09618	2.5
127.11213	1.7
128.06184	0.9
129.06987	4.1
130.07835	0.9
131.08556	19.1
131.09534	1.4
133.10121	62.2
134.10420	1.2
135.08098	1.8
135.11679	57.9
137.09616	2.7
137.13239	10.6
139.07552	1.3
139.11232	2.5
142.07770	1.5
143.08549	8.2
144.09375	2.1
145.10114	34.4
147.08011	1.2
147.11681	47.8
148.12001	1.7
149.09663	1.9
149.12059	1.5
149.13257	32.2
151.11197	2.8
151.14888	2.0
153.09120	3.0
153.12799	1.0
155.08626	2.4
156.09373	3.1
157.10114	9.8
158.10889	1.6
159.11679	33.8
160.12222	1.0
161.09634	2.1
161.13254	37.2
162.13655	0.8
163.07579	1.6
163.11206	2.2
163.14818	22.1
163.16110	1.4
165.12781	3.6
165.16341	1.6
167.08563	1.0
169.10095	4.7
171.11670	9.3
172.12421	1.4
173.11806	1.4
173.13254	23.8
174.13736	1.2
175.11246	1.9
175.14809	32.9
175.16287	1.8
177.12766	2.4
177.16371	30.7
179.01303	0.8
179.05655	1.1
179.14352	4.0
179.17949	1.0
182.10814	1.2
183.11673	5.1
185.13269	11.2
187.11368	1.0
187.14812	21.6
187.16492	1.5
189.12825	1.9
189.16379	41.8
190.16739	1.0
191.14355	5.6
191.17943	23.1
193.12251	3.1
193.15866	7.3
195.11687	0.9
196.12553	1.0
197.13211	5.7
199.14798	11.4
200.15428	1.0
201.12572	1.0
201.16357	30.5
203.14354	3.5
203.17947	44.1
205.15938	3.9
205.19565	7.5
207.17482	4.4
211.13235	2.5
211.14955	4.1
213.16353	10.3
215.14479	2.0
215.17931	15.3
217.15964	3.2
217.19525	11.5
219.13866	2.1
219.17432	9.8
219.21011	1.9
221.15417	1.4
221.18874	4.2
223.16995	1.1
225.16364	4.6
227.17929	9.3
229.15933	1.3
229.19501	10.0
231.17422	6.2
231.21124	3.3
233.15424	2.6
233.19057	4.8
235.16939	5.5
237.16399	1.0
239.17989	3.6
241.16019	1.0
241.19453	8.1
243.17416	1.7
243.21091	7.5
245.18932	4.1
245.22697	1.2
247.16986	3.1
247.20641	1.6
249.18579	1.1
253.19591	3.8
255.21088	5.9
257.19125	1.8
257.22638	3.2
259.16870	1.8
259.20523	4.1
261.18506	2.3
261.22256	1.1
265.19827	0.9
267.21106	3.7
269.22662	4.1
271.20587	2.0
271.24249	1.6
273.18524	1.4
273.22229	1.4
275.20105	3.3
279.21259	1.3
281.22714	3.2
283.20966	1.9
283.24271	7.9
285.19266	1.3
285.22226	7.0
285.25861	2.8
287.20157	1.6
287.23703	2.4
289.21683	1.3
295.24179	2.3
297.25845	4.3
299.23706	2.9
301.21750	1.2
309.09372	1.1
309.25668	4.3
311.23831	2.1
311.27408	1.4
313.25226	2.5
323.27475	2.0
327.26907	2.4
329.24698	9.9
337.08722	2.6
337.29065	1.1
341.24655	1.6
343.26337	8.9
351.26889	1.3
355.26266	23.1
357.28046	1.5
365.08127	2.5
368.06717	1.9
369.27957	3.6
381.31467	1.8
383.08972	1.3
383.29443	3.2
393.07538	4.3
393.35141	22.1
393.39984	1.6
394.35550	1.1
396.06271	6.7
397.06631	1.4
397.31030	1.2
403.33667	3.4
409.34723	1.0
410.07925	1.4
411.08737	3.9
411.36584	1.5
412.09164	1.2
421.07162	3.1
421.34698	36.6
421.40405	1.8
422.35080	1.9
439.08182	18.6
439.26382	3.2
439.35806	98.9
440.08804	4.1
440.36066	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	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
54.27699	0.9
55.01851	1.7
55.05511	14.9
57.03430	7.4
59.04985	4.0
65.00868	0.8
65.03924	2.7
66.92586	0.7
67.05501	100.0
68.05828	1.1
69.03418	6.5
69.07063	8.9
70.83679	1.3
70.84033	2.1
71.04987	5.8
79.05489	13.8
81.03414	33.3
81.06598	1.6
81.07050	29.2
81.07533	1.5
82.07356	1.2
83.04973	6.8
83.08612	18.2
85.02905	16.4
85.06523	2.5
91.05471	23.1
93.07041	17.9
95.04954	14.0
95.08599	17.2
97.02862	2.8
97.06517	4.1
97.10155	2.4
99.04433	1.6
105.07026	17.6
107.04932	2.7
107.08584	10.4
108.16690	0.9
109.02843	1.5
109.06499	3.8
109.10152	65.3
110.10464	1.2
111.04481	2.3
111.08071	9.9
113.05996	1.0
117.07016	3.0
119.08578	21.4
120.08097	1.0
121.06481	3.2
121.10143	10.4
123.08035	4.1
123.11688	3.2
125.05930	1.0
125.09613	2.6
128.06183	1.0
129.07025	5.5
131.08557	6.6
133.06535	2.0
133.10118	8.9
135.07982	1.5
135.11682	2.9
137.05948	1.4
137.09596	6.0
143.08611	2.2
145.10088	3.6
147.08047	2.3
147.11685	11.7
149.09625	3.8
149.13258	2.3
151.07568	1.6
151.11229	1.5
155.08530	1.0
155.10628	2.2
157.10121	5.8
159.11658	3.8
161.05965	0.9
161.09636	2.2
161.13184	2.5
163.11159	1.5
163.14828	2.0
165.09129	2.2
165.12752	2.9
169.10149	1.3
169.93063	0.9
171.11632	2.4
173.11752	16.0
173.13261	2.8
175.11166	8.5
175.14792	2.7
177.16406	1.1
183.05995	0.8
185.13271	1.0
187.14769	3.1
188.57387	1.0
189.12836	1.2
189.16341	2.4
191.14256	2.8
191.17900	1.2
193.10431	1.5
193.12234	30.3
193.65279	1.0
199.14595	1.0
201.16400	1.5
203.10678	1.1
203.14235	2.3
203.17958	1.7
205.15796	1.3
211.13275	34.8
215.14369	1.0
215.17995	1.4
237.07642	1.0
251.06992	1.1
259.14899	1.0
259.20392	0.9
267.15817	1.5
277.21448	1.5
315.01431	0.9
385.26767	1.1
393.31458	2.4
421.25607	1.8
421.30835	1.5
439.27310	43.8
439.32153	4.4
440.27524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01876	1.1
55.05516	14.6
57.03440	6.4
57.07090	1.1
59.05006	4.4
65.03934	3.0
67.05508	100.0
68.05828	0.9
69.03425	3.6
69.07072	6.3
70.96585	1.7
71.04992	6.0
73.02979	0.8
77.03207	0.8
79.05496	14.8
81.03424	35.5
81.06593	1.6
81.07060	27.3
83.04980	7.0
83.08620	17.8
85.02905	19.3
85.06541	3.2
89.33288	0.8
91.05483	21.9
92.37973	0.8
93.07050	12.5
95.04978	14.4
95.08614	10.6
97.02895	1.6
97.06551	2.1
97.10191	2.2
99.08101	1.6
105.07023	11.2
107.04974	2.0
107.08596	8.8
107.10180	0.9
109.06541	3.2
109.10161	72.9
111.04447	1.4
111.08091	9.2
113.06033	1.9
117.07025	1.9
119.08583	18.1
121.06514	0.9
121.10175	6.7
123.08053	1.1
123.11719	2.3
129.06999	5.8
131.08575	7.0
132.74637	0.8
133.06512	1.5
133.10127	6.3
135.11700	1.4
137.09630	3.4
142.07817	1.9
145.10115	2.0
146.10483	0.7
147.08076	2.1
147.11684	8.8
149.09633	3.4
155.10692	4.1
157.10161	7.0
159.11734	1.4
165.12794	2.4
173.11751	18.9
175.11218	10.0
193.12256	35.7
201.16360	1.0
211.13300	37.5
212.13608	1.3
229.14342	1.7
234.15800	0.8
262.19888	0.9
267.15976	2.0
421.25955	1.6
439.27011	52.2
440.27063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02275	0.8
53.03938	2.7
55.01873	1.7
55.05508	17.9
57.03440	6.9
57.07061	1.2
58.67326	0.8
59.04993	3.8
59.19244	0.9
65.03937	1.7
67.05503	100.0
69.03426	2.6
69.07066	11.6
71.04993	4.2
79.05488	18.5
81.02943	1.1
81.03416	26.5
81.07054	36.3
83.04974	6.5
83.08157	1.2
83.08621	18.8
85.02434	1.4
85.02907	14.4
85.06542	4.8
91.05476	26.7
93.07042	25.6
95.04969	13.2
95.08605	37.2
97.02906	2.0
97.06528	3.3
97.10181	4.5
98.21636	1.7
103.05511	1.4
105.07030	25.3
107.04955	3.2
107.08588	31.3
109.06522	5.2
109.10152	77.8
110.10505	1.9
111.04498	1.1
111.08080	11.2
113.06028	1.8
113.09644	1.0
115.05485	1.1
117.06997	4.3
119.08575	40.0
121.06520	2.4
121.10141	26.3
123.08080	3.7
123.11727	9.5
125.09639	2.8
128.06244	0.9
129.07005	4.8
131.08557	12.1
133.06473	1.9
133.10130	23.1
135.08093	1.8
135.11697	18.2
137.09631	4.9
137.13264	3.4
142.07816	1.7
143.08578	2.9
144.62405	0.8
145.10121	11.5
147.08075	1.9
147.11687	21.8
149.09624	3.0
149.13260	8.4
151.11208	1.4
155.08621	1.1
155.10629	4.0
157.10127	9.7
159.08058	1.2
159.11687	8.4
161.09674	1.1
161.13252	11.6
163.11238	1.5
163.14807	7.5
165.12750	3.5
169.10225	2.0
171.11682	6.7
173.09500	1.1
173.11755	18.1
173.13293	8.5
174.10559	1.0
175.11177	9.8
175.14819	9.3
177.12697	1.2
177.16386	6.3
179.14297	1.9
183.11749	2.0
185.13292	3.8
185.49651	0.8
187.14787	7.4
189.12779	3.1
189.16376	22.4
190.16710	1.0
191.14328	3.9
191.17935	4.5
193.12242	29.7
193.15907	2.4
197.13297	2.5
199.14746	4.0
201.12778	0.9
201.16444	6.5
203.14296	4.1
203.17961	8.8
205.15935	2.1
205.19472	1.5
207.17438	19.6
211.13260	31.9
213.12840	0.9
213.16434	2.3
215.14307	2.3
215.17868	5.3
217.12225	31.5
217.15758	2.0
217.19543	2.4
219.17522	2.2
221.18903	1.2
225.16455	1.4
227.17999	3.0
228.22586	0.8
229.14171	1.7
229.19576	3.7
231.21155	1.4
233.19070	1.0
239.17918	2.3
241.19556	1.4
243.21080	1.6
247.17012	0.9
251.17938	1.2
253.19543	2.0
255.21294	1.0
259.20514	1.5
267.15921	1.7
267.21164	1.0
269.22818	1.4
271.20795	1.1
281.22705	1.3
283.20731	1.3
283.24060	1.6
285.22195	1.7
295.24377	0.9
297.22278	1.1
299.20007	1.1
299.23569	0.9
309.25732	1.1
311.23621	1.4
329.24701	1.0
333.26083	1.1
343.26468	1.5
354.94714	0.9
355.26349	2.9
385.28534	0.9
393.31393	3.3
393.35263	3.7
397.30994	1.0
403.33603	2.3
409.34833	0.9
415.65680	1.0
421.25748	1.6
421.34882	13.2
439.26898	49.3
439.31750	6.3
439.36667	24.2
440.27264	2.1
442.57959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01870	1.9
55.05510	14.4
57.03432	7.0
57.07072	1.8
59.04997	4.2
65.03934	3.2
67.05501	100.0
68.05844	1.4
69.03439	2.4
69.07078	6.1
69.60089	3.8
71.04984	6.0
79.05489	13.7
81.03413	30.1
81.07052	26.2
83.04978	6.8
83.08617	15.2
83.09119	0.6
85.02901	19.3
85.06548	3.6
90.94915	0.6
91.05473	19.4
93.07042	11.5
95.04966	13.1
95.08596	13.0
97.02914	2.1
97.06540	2.2
97.10155	2.8
98.20799	0.7
99.08113	1.3
105.07021	13.9
105.07695	0.9
106.07334	0.8
107.04958	2.3
107.08591	10.3
107.33437	0.6
109.06526	2.5
109.10151	66.5
110.10487	1.0
111.04440	1.4
111.08076	7.6
113.06010	1.8
115.05495	0.9
117.07029	2.1
118.91164	0.6
119.08572	16.6
121.10136	9.2
123.04404	0.8
123.08098	2.0
123.11743	1.8
125.09675	1.4
127.07536	0.8
128.06175	0.6
129.06999	6.6
131.08560	6.7
133.06494	1.4
133.10126	6.5
135.08044	0.8
135.11728	2.4
137.05988	0.7
137.09584	3.8
142.07787	1.9
143.08531	0.8
145.10129	2.8
147.08083	1.9
147.11685	8.9
149.09634	3.6
149.13284	1.3
151.07495	0.8
155.10641	3.5
157.10115	6.6
159.08069	0.6
159.11705	1.6
161.09607	1.0
161.13173	1.2
163.11252	0.8
163.14844	0.7
165.09099	0.7
165.12804	1.5
169.10136	0.7
171.11687	0.8
173.11736	17.2
173.13261	1.6
175.11174	9.1
175.12560	0.7
175.14868	1.7
177.12746	0.6
177.16408	1.3
183.11656	0.6
185.13326	1.0
187.14859	1.7
189.12773	1.1
189.16454	1.6
191.03381	1.2
191.17995	0.6
193.12236	30.2
201.16321	1.0
203.14346	1.2
203.17923	0.8
211.13271	36.1
213.16354	0.6
215.17963	0.6
219.13795	0.9
229.14381	1.8
267.15933	2.0
393.31451	0.8
421.25690	0.9
439.26898	58.0
440.27399	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	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03951	0.7
55.01876	0.9
55.05502	2.7
57.07061	0.6
67.05508	6.9
69.03417	2.4
69.07057	2.2
71.04972	0.7
71.11908	1.3
76.25272	0.5
77.51192	0.5
79.05498	3.7
81.03418	2.8
81.07062	5.3
83.04965	0.9
83.08586	1.2
85.02896	2.4
91.05480	2.9
93.07042	4.0
95.04964	2.3
95.08607	4.9
97.02882	1.0
97.06536	0.7
97.10171	0.7
105.07036	4.0
107.08595	4.0
109.02883	0.9
109.06506	0.8
109.10164	4.8
111.08085	1.2
117.07042	0.6
119.04980	0.5
119.08580	4.8
119.88098	0.6
121.02811	0.6
121.06483	0.7
121.10144	3.5
123.04441	1.2
123.08065	0.7
123.11674	1.4
127.03921	2.5
129.06972	0.7
131.08568	1.2
133.10104	2.5
134.73051	0.6
135.08046	1.0
135.11676	1.1
137.05974	1.1
137.09575	1.8
143.08543	1.0
145.10112	2.3
147.04343	0.9
147.08041	0.7
147.11699	2.8
149.09616	1.6
149.13274	1.0
151.03903	0.7
151.07564	0.9
151.11214	1.3
156.09227	0.8
157.06529	0.7
157.10078	1.4
159.11719	2.1
161.13280	1.2
163.11136	0.9
169.10167	1.4
171.11670	1.7
173.11722	0.8
173.13214	0.8
175.11166	1.1
177.16418	1.0
185.13292	0.9
187.14821	1.6
189.05469	0.8
189.16434	0.9
193.12257	1.4
202.02628	1.8
211.11388	0.6
211.13326	1.7
215.14307	0.7
217.05086	0.8
220.03688	4.0
245.04480	7.1
277.07114	2.9
277.17627	0.6
343.30438	0.7
350.73163	0.6
421.30994	0.9
439.22983	100.0
440.23331	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	439.2298
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05503	0.6
57.06997	0.4
67.05503	1.4
69.03419	1.0
69.07052	1.0
71.52378	1.1
73.02921	0.4
79.05490	1.1
79.98256	0.4
81.03409	0.6
81.07057	2.1
83.04967	0.6
83.08646	0.6
85.02892	1.2
91.05483	1.3
93.07025	2.0
95.04978	1.0
95.08596	1.6
97.02904	0.4
97.06538	0.8
105.07032	1.8
107.04935	0.6
107.08583	1.3
109.02885	0.9
109.10147	1.2
117.06976	0.5
119.08588	1.7
121.06470	0.5
121.10107	0.6
123.04453	0.9
125.09622	0.6
127.03886	0.6
131.08569	1.2
133.06476	0.5
133.10129	1.0
135.04430	0.5
135.08011	0.5
135.11687	0.5
139.03934	0.5
145.04828	0.5
145.10101	1.0
147.07948	0.5
147.11649	1.2
149.09541	0.5
151.07634	0.5
157.10127	0.6
159.11703	1.0
161.09630	0.6
163.07433	0.4
165.09064	0.6
181.08742	0.5
183.11647	0.4
187.11148	0.4
189.09100	0.4
201.03728	1.5
203.05206	2.0
231.10269	0.5
253.96471	0.5
259.09680	0.6
259.16754	3.2
261.18250	8.0
261.20871	0.6
277.10461	0.5
277.17920	2.1
436.15979	0.5
439.23038	100.0
440.23331	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	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05518	1.4
57.03418	0.7
57.07055	0.4
64.61017	0.3
65.03930	0.6
67.05502	6.9
69.03412	1.1
69.07071	1.6
69.74517	1.6
70.23474	0.3
71.04981	0.5
73.14714	0.2
79.05493	1.5
81.03421	2.4
81.07050	3.3
83.04971	0.6
83.08615	1.3
85.02872	1.3
85.06536	0.6
85.38019	0.3
91.05483	2.1
93.07037	2.8
95.04995	1.4
95.08599	2.8
97.02883	0.4
97.06518	0.7
97.10147	0.3
99.04430	0.5
105.07021	2.6
107.08591	2.4
109.02896	0.4
109.06525	0.6
109.10146	4.8
110.92857	0.3
111.08041	1.0
117.07027	0.6
119.08577	3.2
121.06512	0.3
121.10096	1.7
123.04461	0.3
123.08058	0.9
123.11675	0.6
129.06963	0.6
131.08551	0.9
133.10132	1.7
135.08029	0.5
135.11739	0.6
137.09607	0.8
137.13272	0.4
139.03857	0.5
143.08618	0.4
145.10126	1.3
147.08070	0.6
147.11696	1.5
149.09602	0.4
149.13277	0.6
149.49167	0.3
151.07486	0.8
155.08527	0.4
155.10550	0.3
157.10136	1.4
159.11665	1.0
161.13272	0.3
163.11150	0.3
163.14749	0.4
169.10098	0.5
171.11679	0.6
173.11693	1.2
173.13197	0.7
175.11168	0.7
175.14812	0.6
177.16382	0.5
185.13239	0.7
187.14803	1.1
189.12723	0.6
189.16377	1.0
191.03375	0.3
191.18001	0.4
193.12216	1.9
201.16365	0.6
203.05264	0.5
203.14290	0.9
203.17926	0.5
205.15897	0.5
211.13235	2.3
213.28767	0.3
227.17982	0.3
277.17776	1.3
277.21686	0.3
298.14694	0.3
350.14502	0.4
393.31497	1.2
395.24017	0.5
403.92059	0.3
421.30832	0.5
439.22952	100.0
440.23297	4.0
460.30450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01875	1.6
55.05499	1.2
57.03421	1.8
69.03419	4.6
69.07066	1.2
70.06592	79.5
71.04989	2.6
71.50616	1.5
73.02924	1.6
81.03416	6.6
81.20512	1.2
83.01309	1.3
83.04982	3.4
84.04521	2.3
85.02889	4.7
85.95155	1.2
86.06059	4.6
91.36022	1.1
92.29897	1.2
96.04496	2.5
97.02889	4.1
109.02875	5.7
113.07128	100.0
114.05540	2.8
115.08691	5.3
119.08562	1.6
123.04422	7.6
127.03918	71.7
128.04237	1.7
139.03845	1.8
141.06584	28.9
145.04959	9.5
147.04358	1.5
150.05540	7.2
159.07639	12.4
160.07622	3.2
163.03978	1.9
175.14807	1.3
186.09140	1.3
193.04855	1.3
201.08652	7.2
203.18030	1.9
204.68068	1.3
231.09709	2.1
259.05865	1.4
267.09781	11.8
271.06076	1.4
285.10806	75.7
286.11069	1.8
299.33658	1.4
303.11884	15.9
362.74780	1.4
365.63480	1.3
372.76331	1.3
439.19479	6.5
439.36218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.65948	1.3
61.02928	2.2
67.05498	3.7
68.99793	4.7
69.03419	1.4
70.06575	4.6
71.49792	1.5
73.34985	1.2
81.03376	2.2
83.04964	1.9
85.02900	8.7
93.07068	1.6
93.80466	1.1
95.01315	1.6
95.04975	4.0
95.08610	1.7
97.02879	4.6
98.97543	2.0
99.04488	1.1
105.03343	1.8
105.06998	1.7
107.04957	3.1
109.02883	2.2
111.04450	2.0
112.07587	2.5
113.07123	1.4
119.08627	1.4
123.04425	100.0
124.04810	1.5
125.02379	1.2
127.03903	8.2
133.06477	1.5
135.04439	8.1
137.02336	4.4
137.06015	1.7
139.03889	18.1
145.06430	1.3
147.04405	4.3
149.02316	3.7
149.05927	1.3
150.05513	7.2
151.03912	10.2
153.01854	4.0
159.04422	1.5
160.07614	1.7
161.05968	2.5
163.03902	21.4
165.01845	7.0
165.05438	3.5
167.03423	3.7
168.47406	1.4
173.05933	2.6
175.03862	3.6
177.05461	4.4
179.03380	5.6
181.04950	6.0
185.05989	2.3
187.03841	2.2
189.05470	3.3
191.03397	8.4
193.04942	2.1
197.05959	1.3
201.05377	1.4
203.03569	1.2
205.04968	6.4
209.04395	2.7
213.05548	2.9
217.04919	9.3
218.39720	1.5
221.04411	2.3
229.05014	2.3
231.06555	1.8
233.04422	6.0
235.06018	7.6
245.04501	3.3
251.05463	2.2
255.06447	2.2
259.06049	1.6
263.05460	9.8
265.04971	1.3
269.06525	6.7
271.05991	25.9
273.07602	3.8
281.06659	4.4
283.05875	2.1
285.07602	6.0
287.05542	2.2
289.07083	5.5
295.05847	2.3
299.05820	1.4
311.05481	1.8
313.07031	1.8
325.07086	4.0
343.08014	4.5
349.07330	1.5
355.07678	1.7
367.08191	6.1
385.09103	10.4
403.10187	6.0
404.10574	1.9
421.11218	3.2
447.17606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
61.02935	1.5
65.17075	1.3
66.09697	1.4
67.05488	4.8
68.99787	6.1
69.03421	2.8
69.07076	1.4
69.81873	3.4
69.82284	4.1
70.06583	4.2
81.03408	4.4
85.02908	8.5
91.05492	2.1
95.01317	1.4
95.04989	3.9
97.02878	7.0
99.04447	4.2
105.03397	2.6
105.07003	1.6
107.04963	3.1
109.02873	3.0
111.00804	1.8
111.04448	3.5
112.07571	2.1
119.04927	2.4
121.02886	1.7
123.04420	100.0
124.04718	1.3
125.02355	1.4
127.03921	7.3
128.77968	1.1
131.04906	1.8
135.04425	8.3
137.02319	10.1
137.06013	2.7
139.03905	26.3
140.07047	1.9
141.05551	1.4
141.07295	1.5
147.04388	5.8
149.02335	4.2
149.05959	2.0
150.05489	2.2
151.03914	14.5
152.19333	1.4
153.01859	2.0
159.04443	2.1
160.07545	1.4
161.05923	3.2
163.03889	16.9
165.01816	12.0
165.05499	5.8
167.03410	6.5
173.05956	4.1
175.03897	3.4
177.05437	5.0
179.03398	9.0
181.04984	5.8
181.06445	1.7
185.06104	2.0
185.46986	1.2
186.09167	2.0
187.03848	2.5
189.05438	7.5
191.03432	10.1
193.04919	6.9
195.02971	1.5
197.06042	1.6
199.03970	1.6
199.07579	1.3
201.05557	3.7
203.03320	2.7
205.04961	7.7
207.02968	1.8
209.04520	3.8
213.05444	2.8
215.03349	2.3
215.06956	1.7
217.04918	8.8
221.04407	4.2
223.05872	2.0
227.06993	1.8
231.06593	2.1
233.04428	10.0
235.05998	10.8
245.04428	5.8
251.05495	3.6
253.07034	2.7
255.06421	3.4
263.05569	7.1
269.06491	7.0
271.05933	8.9
273.07520	4.5
281.06598	3.8
283.05951	3.5
285.07513	7.9
289.07028	4.1
297.07492	2.3
299.05524	2.3
311.05429	1.8
313.07071	5.1
323.09515	1.5
325.07114	3.6
339.08966	1.5
339.53406	1.3
343.08130	6.9
355.08105	3.0
367.08093	5.4
385.09262	9.0
403.10202	7.6
416.79138	1.4
421.11276	2.7
439.20975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
50.05207	0.4
51.02369	1.1
53.03938	2.9
55.01853	0.9
57.03435	1.2
60.29401	0.5
65.03934	1.3
69.03427	9.8
70.06580	1.0
71.04986	1.2
71.51983	0.7
73.02902	0.7
78.03451	15.4
79.05480	0.5
80.05003	2.3
81.03415	16.8
82.06543	0.4
83.04937	0.9
85.02895	7.6
91.05458	1.2
93.03345	0.6
93.07050	0.7
95.04958	0.9
96.04484	5.8
97.02881	6.2
99.04450	3.5
103.61883	0.5
106.02908	59.2
107.01272	0.5
107.03255	0.9
107.04917	0.5
109.02871	12.1
111.04434	3.7
116.07076	0.6
119.05970	0.5
121.10149	0.6
123.04459	2.5
124.03943	100.0
125.04295	1.9
126.03157	0.6
126.05490	2.1
127.03908	8.4
135.04408	0.6
139.03891	6.7
139.53264	0.5
139.98622	0.5
140.07193	0.5
141.05441	2.3
143.03348	0.8
145.02846	0.8
147.04353	0.6
153.01814	14.9
153.03015	1.1
154.04977	4.2
156.04143	1.4
156.50146	0.5
163.03926	0.5
166.04942	3.2
169.04961	2.3
171.02870	0.7
171.06522	6.2
177.05481	1.9
181.04872	0.8
186.11293	1.4
191.03676	0.5
195.06476	0.7
196.06024	1.0
213.07471	0.7
217.26572	0.5
226.07077	3.2
232.06062	1.9
250.07095	23.9
261.07620	1.3
268.08142	48.9
269.08588	1.6
420.08725	2.7
438.09766	3.3
438.21500	1.6
459.52072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
55.93514	3.9
64.98490	0.8
65.18214	0.8
67.01862	2.9
67.05505	1.5
68.99776	1.8
69.03425	1.6
69.07053	1.3
70.06605	1.3
71.52071	1.8
72.08150	12.6
79.05459	1.5
81.03423	2.2
81.07053	3.2
83.04940	1.0
85.02914	1.5
85.06514	0.9
88.03988	12.7
90.89400	1.0
91.05467	1.4
93.07056	1.7
95.08609	2.0
97.02875	2.5
105.01798	1.1
107.04977	1.6
109.02879	3.2
109.10125	1.1
111.04408	1.0
113.02376	3.0
118.08678	1.4
120.01105	1.3
121.01088	1.3
121.10108	1.0
123.04408	6.2
125.04217	1.1
125.06004	1.2
127.03930	2.9
127.07546	1.1
139.03868	1.2
139.11177	2.4
149.00540	7.5
151.04012	1.1
152.30415	1.0
153.01819	100.0
154.08627	1.2
162.05489	1.5
163.02055	1.1
165.00102	4.3
167.01674	1.1
167.03424	1.1
167.07088	1.4
167.10748	0.9
169.03186	22.3
169.04527	1.6
171.37123	1.0
176.01639	7.4
176.07022	1.1
180.02342	1.6
181.03195	1.0
193.01923	3.1
193.08612	2.3
194.02780	1.7
194.04428	8.0
195.01175	1.1
207.01057	1.4
208.04253	20.0
208.05977	0.8
211.09657	3.9
222.05946	0.9
232.01797	1.5
233.02666	1.8
240.04936	1.7
243.01151	1.4
247.04150	1.0
254.04810	70.9
255.02811	1.1
255.05109	1.1
259.00522	1.4
260.01413	3.3
268.06418	2.5
269.04770	3.0
271.00671	6.2
275.03613	5.1
286.07437	8.2
287.00122	1.4
287.93616	1.3
288.00882	3.0
293.04752	5.6
299.00058	7.8
301.07248	1.9
316.00385	18.0
321.04266	5.0
331.02731	20.4
333.04214	8.7
349.03616	5.3
356.05707	2.4
374.98056	1.7
387.91586	6.0
391.94836	6.7
391.99112	2.0
396.95193	2.8
397.99780	1.8
402.06561	1.2
405.92667	2.1
414.96289	8.9
420.07434	4.2
421.06274	1.8
437.97839	1.8
438.08337	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.6
57.07066	2.4
57.20346	1.5
61.11145	1.5
67.05505	21.2
69.07067	13.5
69.26700	3.2
69.27113	12.7
79.05495	14.0
81.07052	23.3
83.04996	2.8
83.08582	7.2
91.05476	14.6
93.07041	22.0
94.96001	1.5
95.08604	47.0
97.10181	3.3
105.07038	30.8
107.04939	1.9
107.08592	36.7
109.10171	24.1
111.08075	2.5
117.07034	5.0
119.08583	72.7
121.06502	1.8
121.10136	21.1
122.10400	1.4
123.11691	7.3
129.06996	2.2
130.07745	1.9
131.08559	13.3
133.10132	45.5
133.11116	3.3
135.08099	2.5
135.11702	16.9
137.13287	3.8
143.08607	5.4
145.10136	36.0
147.11674	31.7
149.13255	10.1
153.09108	3.0
155.08565	1.8
157.10130	6.1
158.10887	1.9
159.11687	48.4
161.13258	15.6
163.11292	1.8
163.14819	6.8
169.10023	2.0
171.11707	4.9
172.12447	2.4
173.11812	2.8
173.13225	14.0
175.14821	12.0
177.12769	1.6
177.16405	11.6
180.65620	1.5
183.11725	2.0
185.13333	4.4
187.14799	32.0
189.16383	90.8
190.16821	5.0
191.17941	10.3
195.11655	1.6
199.14856	4.4
201.16394	25.0
203.17973	32.8
205.15936	4.8
205.19554	2.9
213.16422	7.2
215.17969	12.6
217.19409	2.8
227.17917	4.6
229.19583	2.4
231.20915	1.9
235.16907	3.7
239.18034	2.3
247.16974	3.6
249.18497	2.6
261.18613	1.9
295.24185	2.8
330.40851	1.9
365.27393	1.8
391.33911	8.4
409.34628	3.7
419.33044	3.7
437.34207	100.0
438.34631	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	437.3413
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.16942	1.3
53.03931	1.9
54.64317	1.3
55.01853	3.4
55.05505	14.9
56.43415	1.6
57.03427	2.2
57.07068	6.4
59.04999	2.9
60.44187	1.6
60.48620	1.4
66.07322	1.5
67.05504	41.0
69.03423	2.5
69.07060	16.3
70.64762	4.4
71.04999	4.1
71.86674	1.6
79.05490	24.3
81.03431	3.7
81.07055	53.1
83.04976	5.6
83.08612	11.1
85.06548	10.0
91.05467	21.7
93.07040	45.7
95.04958	4.3
95.08606	69.6
96.08968	1.6
97.06523	7.7
97.10150	4.3
99.04482	1.4
99.08109	4.5
105.07028	46.7
107.04904	2.2
107.08593	66.0
108.08922	1.6
109.06544	4.9
109.09400	2.5
109.10155	51.1
111.08073	5.8
111.11729	2.7
113.09641	2.4
115.05505	1.7
117.07014	5.7
119.08576	58.6
121.06525	2.6
121.10142	56.1
123.08034	8.4
123.11720	13.1
125.08833	2.2
125.09614	11.5
127.07579	1.8
128.06219	3.1
129.07010	4.0
131.08562	22.2
133.10129	50.3
135.08047	6.5
135.11693	26.3
135.12718	1.7
137.09633	12.5
137.13274	5.2
139.11198	1.9
141.06975	2.4
142.07787	2.1
143.08543	11.1
144.09390	2.3
145.10121	42.1
147.08163	2.2
147.11691	33.8
149.09593	9.4
149.13264	15.4
151.11208	3.1
153.09134	1.8
155.08560	3.9
156.09363	2.2
157.10114	17.7
158.10979	2.3
159.11699	36.7
160.12262	1.5
161.09676	2.5
161.13271	28.5
163.11166	17.4
163.14813	10.4
165.12764	4.8
169.10150	5.8
170.10968	2.1
171.11691	15.5
173.11836	3.9
173.13287	20.1
174.13577	2.1
175.11227	4.6
175.14825	25.7
177.12730	11.7
177.16385	10.3
179.14362	4.3
181.10071	1.8
183.11716	6.3
184.12444	1.8
185.13225	12.0
187.14798	21.0
189.12738	3.8
189.16379	19.6
191.14325	7.8
191.17906	8.8
193.15842	8.5
197.13293	5.7
199.14781	12.1
201.12796	2.6
201.16377	32.6
203.14326	4.5
203.17941	12.2
205.15872	10.7
207.17487	2.4
211.14809	3.2
213.16386	11.5
215.14331	2.4
215.17899	9.3
217.15915	5.6
217.19450	2.7
219.17426	52.3
225.16423	4.7
227.12845	2.1
227.17961	5.6
229.15895	2.5
229.19582	2.7
231.17422	13.9
233.15364	2.1
233.19083	5.2
239.17972	2.3
241.19612	5.5
243.17551	4.7
245.19012	11.5
247.16968	1.8
251.18040	2.0
257.18985	5.3
259.20612	8.7
261.18637	2.0
267.21103	5.2
269.22397	1.7
271.20602	5.1
281.22488	3.0
283.20755	4.7
285.22116	9.9
299.23761	2.1
311.23758	3.3
325.25461	2.4
351.26974	1.9
379.30042	3.7
391.33652	4.4
393.31461	1.9
409.35062	7.5
419.33221	30.3
437.25418	5.9
437.34222	100.0
438.34464	5.3
456.54526	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01862	1.0
55.05510	5.5
57.03434	1.3
57.07067	4.5
62.05312	0.9
65.03921	1.3
67.05501	15.3
69.03403	1.8
69.07063	9.5
70.55491	3.1
75.08294	0.9
79.05501	8.2
81.03411	4.4
81.07051	18.5
83.04977	1.8
83.08611	6.5
91.05471	11.8
93.07036	17.7
95.04963	1.9
95.08604	30.1
97.06554	1.2
97.10152	2.2
105.06323	1.7
105.07027	31.7
106.07355	1.5
107.08588	21.6
109.06500	1.7
109.10155	20.9
117.07042	6.4
119.07723	2.1
119.08577	38.5
119.95773	1.0
121.10136	17.7
123.11685	6.8
125.09710	1.3
128.06235	1.0
129.07011	3.0
130.07745	1.8
131.08556	16.1
133.06491	1.1
133.10123	32.6
135.08060	1.8
135.11691	8.4
135.47348	1.0
137.13306	1.8
143.08546	3.3
144.09314	2.8
145.10115	50.0
146.10492	1.9
147.11673	20.7
149.02286	2.1
149.13274	8.6
149.85136	1.1
153.09097	2.4
155.08528	1.1
157.10109	6.1
158.10909	2.4
159.11687	46.1
160.12248	1.5
161.13248	11.4
163.11203	1.9
163.14757	5.6
169.10190	2.1
171.11700	4.5
172.12444	2.3
173.11786	2.1
173.13223	14.6
173.14551	1.6
175.11310	1.2
175.14819	15.5
177.02037	0.9
177.16385	11.5
179.10614	1.3
183.11754	1.7
185.13271	3.1
187.14824	10.8
189.16368	36.6
191.18004	4.0
193.04945	2.4
193.99500	1.1
199.14798	5.5
201.16370	100.0
202.16710	2.8
203.17941	61.3
207.17453	1.7
211.14745	1.0
213.16428	2.4
215.17921	18.4
217.19505	3.6
221.19003	1.4
225.16368	1.1
227.18008	2.2
229.19565	4.6
233.15274	1.8
235.16975	2.2
239.17967	1.4
241.19415	1.7
243.21135	2.0
247.16928	3.6
249.18489	4.6
255.21135	1.2
259.17023	1.4
261.18491	1.2
266.90610	1.1
274.11606	2.0
275.12054	1.2
275.20114	1.3
331.53680	0.9
391.33685	9.1
419.33383	2.0
437.24890	3.2
437.34198	78.6
438.29089	1.4
438.34241	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.05510	17.1
57.07079	5.6
65.03956	3.0
67.05505	26.2
69.07068	21.4
69.34389	3.6
69.34798	17.1
71.05001	2.8
79.05487	15.3
81.03402	5.6
81.07053	45.4
83.04971	3.2
83.08619	10.0
85.02938	2.2
85.06535	4.9
91.05482	25.6
93.07035	33.5
95.04952	2.4
95.08604	68.2
97.06516	5.9
97.10173	5.1
98.20793	3.4
99.08072	4.4
105.07022	44.5
106.07378	3.9
107.08593	54.7
109.02892	2.4
109.06515	6.1
109.10150	46.8
111.08055	5.3
111.11736	2.5
113.15134	2.4
115.05396	2.0
117.07001	7.5
119.08577	48.4
121.06500	3.9
121.10142	39.0
121.10946	3.3
123.08073	3.0
123.11707	20.7
125.06032	2.6
125.09566	2.2
127.07551	7.1
128.06265	2.8
129.06992	5.6
131.08548	19.8
132.30849	1.9
133.06519	4.3
133.10124	31.8
135.08058	19.8
135.11690	20.9
137.13257	10.0
141.06996	2.4
142.07790	2.8
143.08562	15.6
145.10109	29.8
147.11700	31.4
149.09561	3.0
149.13235	22.9
151.14786	4.6
155.08543	6.8
156.09361	3.7
157.10133	26.1
158.10939	4.0
159.08058	2.5
159.11668	29.5
161.09621	4.7
161.13246	20.9
163.11220	4.5
163.14819	16.1
169.10139	13.3
171.11700	18.8
172.12358	2.7
173.13258	19.3
175.11188	4.0
175.14818	13.8
177.12802	5.5
177.16412	8.2
181.10019	2.3
183.11711	8.7
185.13284	13.4
187.14757	17.1
189.12733	3.7
189.16422	19.2
191.14340	6.8
191.17923	14.4
193.12350	2.1
195.11777	4.2
197.13266	12.6
199.14868	14.6
201.12718	5.1
201.16382	18.2
203.14262	5.5
203.17918	17.1
205.19533	3.9
207.13779	2.4
209.13277	6.2
210.13890	2.0
211.14807	8.0
213.16420	9.0
215.14279	13.7
215.17978	9.4
217.15962	4.8
217.19543	14.3
219.13696	2.3
221.15340	4.6
223.14772	5.1
225.16428	6.2
227.18005	6.0
229.15953	4.5
229.19524	8.6
231.17485	3.1
233.15366	33.7
237.16251	5.3
239.17928	7.7
240.62553	2.2
241.19585	6.3
243.17375	5.0
243.21222	4.1
251.17896	3.4
253.19458	3.2
255.10548	2.3
255.17314	2.9
255.21272	3.9
257.22919	2.2
259.16913	3.8
265.19479	2.5
267.17581	2.2
267.21094	6.1
271.17105	3.3
271.20511	2.3
275.11893	3.3
276.27222	2.4
277.19556	3.5
279.21097	3.4
283.20590	3.2
307.24146	4.0
321.25778	2.9
346.76056	2.2
349.28961	2.8
353.28311	2.5
377.32104	2.5
391.33594	7.9
409.35086	10.6
419.33102	20.6
437.34174	100.0
438.34549	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	437.3412
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.83125	1.3
53.03935	2.1
55.05509	8.7
55.05737	1.5
57.07064	3.6
67.05503	18.7
69.07064	16.2
69.56970	3.0
69.57384	6.6
72.67606	1.4
79.05492	12.8
81.03428	1.8
81.07052	34.2
83.08606	8.3
85.06532	2.0
91.05459	11.9
93.07043	25.3
95.04942	2.7
95.08606	55.2
97.06536	2.4
97.10184	3.5
99.08069	2.4
105.07025	35.1
107.08587	42.8
109.06516	1.6
109.10153	39.5
111.08088	4.1
113.09613	2.2
113.16238	1.8
115.05502	1.4
117.07021	5.4
119.08578	48.4
121.10136	41.9
123.06911	1.3
123.08077	4.2
123.11718	11.1
125.09622	3.0
129.06960	4.0
130.07776	1.9
131.08546	15.3
133.10124	40.7
135.08018	2.7
135.11687	19.2
137.09618	3.9
137.13245	3.5
143.08534	7.2
145.09050	2.8
145.10114	30.3
147.11684	24.4
149.09622	3.8
149.13269	13.1
151.11160	2.6
151.14815	2.6
155.08533	2.4
156.09247	2.0
157.10132	11.9
159.11681	30.2
159.12904	2.6
161.13237	21.8
163.11191	5.9
163.14848	7.6
165.12724	2.5
169.10159	4.2
170.10759	1.6
171.11649	9.7
173.13242	19.1
175.11209	2.3
175.14815	20.7
177.12785	5.3
177.16411	13.2
183.11700	4.7
185.13257	8.9
187.14775	13.2
189.12737	2.5
189.16367	20.4
191.14366	4.6
191.17953	6.3
193.15895	5.6
195.11658	2.0
196.95439	1.5
197.13249	2.9
199.14835	9.2
201.12741	1.5
201.16377	38.0
203.14278	4.1
203.17958	22.0
205.15918	6.6
211.14812	4.2
213.16327	7.2
215.14343	2.3
215.17896	12.9
217.16045	2.1
217.19519	4.0
219.17462	14.0
225.16383	3.5
227.18007	4.7
229.19528	4.1
231.17409	6.3
239.14911	2.4
239.17891	3.2
241.19522	4.4
243.17412	2.7
243.21091	2.7
245.19057	2.4
247.70122	1.5
253.19560	4.1
255.21057	2.2
257.19092	2.4
259.20667	2.7
265.19666	2.1
267.21103	5.5
273.18802	1.6
281.22656	4.2
283.20584	2.0
283.23822	1.8
285.22253	2.4
295.24301	4.4
299.23669	2.7
307.24176	1.8
311.23526	3.5
313.21835	1.8
325.25278	1.9
327.23227	4.9
341.24689	2.5
343.26147	1.9
367.26627	1.7
379.30063	2.7
384.55685	1.5
391.33591	18.5
401.32321	2.2
409.34900	2.2
419.33130	15.4
437.34167	100.0
438.34500	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05511	9.0
57.07072	4.8
65.03958	1.0
65.65224	0.9
67.05498	14.2
69.07070	15.7
69.34451	5.6
69.34877	3.1
71.08640	1.6
79.05491	10.4
81.07053	35.7
83.08613	6.5
85.06535	1.1
91.05474	10.6
93.06483	1.8
93.07047	21.9
95.08602	58.3
96.08911	1.1
97.10162	2.5
101.46422	0.9
105.07031	26.4
107.08588	30.9
109.10154	25.3
109.10857	2.0
112.61935	0.9
115.05466	1.6
117.07009	5.4
119.08576	42.7
121.10134	23.0
121.10947	1.9
123.11693	14.4
128.06210	1.0
129.06995	2.7
130.07817	1.7
131.08569	13.1
133.10118	24.7
135.11691	15.1
137.13245	9.7
141.07059	1.2
142.07823	1.7
143.08600	6.2
145.10126	27.2
147.11688	22.7
149.13246	17.1
151.14828	4.6
153.09125	2.1
155.08528	2.0
156.09396	1.5
157.10143	6.1
158.10872	1.5
159.11697	20.6
160.12286	1.4
161.13239	16.0
163.14810	10.8
167.07147	1.5
169.10136	3.6
171.11658	7.5
173.13251	14.1
174.13914	1.2
175.14818	21.1
177.09116	1.3
177.16360	10.7
179.10670	1.1
181.04936	34.5
181.08629	1.1
183.06538	1.2
183.11711	3.3
185.13290	4.9
187.14853	8.0
189.16374	31.9
191.17915	11.2
193.12201	1.2
195.11732	1.2
197.13240	3.0
199.14914	7.0
201.16385	33.5
202.16759	1.7
203.17946	35.0
205.19566	1.3
209.08124	3.1
209.13242	1.7
211.14841	3.1
213.16368	9.5
215.17923	16.0
217.12270	1.4
217.15854	1.6
217.19565	5.2
219.75609	1.0
221.15396	2.8
223.14848	3.3
225.16446	3.4
227.17924	3.6
229.19441	4.7
231.17554	1.2
231.20953	1.1
233.15375	1.4
235.16949	3.0
237.16406	2.9
239.17920	5.6
241.19472	15.4
243.21107	8.9
247.16985	4.3
253.19527	5.4
255.18088	0.9
255.21104	6.2
259.16946	6.1
259.20502	2.4
261.18573	2.1
267.21075	4.4
269.22693	2.4
273.18506	2.4
276.90863	1.1
279.21124	1.2
281.22751	2.0
285.18433	7.9
287.20016	4.7
293.22617	1.1
295.24219	3.1
299.20111	6.5
301.21640	2.8
307.24146	1.7
313.21744	3.1
315.23273	2.4
321.25677	1.8
335.27316	3.4
353.24393	1.6
381.27924	1.5
391.33609	20.3
394.28888	1.7
395.29306	1.6
419.33392	1.6
437.34152	100.0
438.34750	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82254	1.4
51.09135	1.3
53.03944	1.8
55.05504	11.5
57.07058	2.2
67.05499	24.1
69.07071	16.5
73.04994	1.4
74.28967	1.3
79.05489	11.6
81.07050	35.2
83.04998	1.6
83.08630	7.4
91.05470	12.4
93.07035	26.3
95.04930	1.9
95.07988	3.3
95.08599	69.4
97.10169	3.4
98.20622	2.5
105.07025	27.2
107.08582	37.7
109.06434	1.4
109.10153	33.4
115.05450	1.6
117.06995	4.6
119.08572	48.8
119.86564	1.2
121.10133	31.9
123.11704	16.7
125.09563	1.9
128.06221	1.8
129.07007	1.7
129.67398	1.3
131.08569	13.8
133.10117	28.0
135.11693	16.8
137.13275	7.9
143.08554	8.8
145.10110	38.8
147.11685	25.7
149.13246	14.4
151.14833	5.6
153.09125	2.9
155.08519	2.3
156.09366	2.0
157.10118	8.5
158.10854	3.0
159.11694	25.8
161.13252	14.3
163.14812	10.4
169.10120	3.8
171.11708	10.4
173.13254	16.6
175.14833	24.2
177.09016	4.0
177.16357	10.9
181.04982	3.6
183.11679	3.0
185.03183	1.8
185.13194	7.7
187.14815	15.0
189.16385	30.7
191.17960	9.0
193.12234	1.7
194.29070	1.6
195.11752	1.8
197.13292	4.5
199.14781	8.6
201.16367	29.4
202.16728	2.5
203.17929	23.6
211.14911	4.3
213.16423	6.3
215.17897	15.9
217.12192	2.5
217.19504	6.0
219.13799	2.5
219.28946	1.5
221.15305	1.5
223.14830	2.3
225.16508	3.5
227.18002	5.4
229.19492	6.5
231.17314	2.4
233.15451	2.1
239.17982	5.3
241.19470	12.0
243.21167	7.3
245.15396	2.5
246.06531	1.5
247.16904	8.8
249.18431	2.2
251.17935	1.8
253.19559	5.0
255.21086	3.9
259.16885	3.5
259.20615	1.7
261.18585	2.3
267.21008	4.2
269.22635	3.9
273.18423	3.0
275.20255	1.7
281.22693	2.4
285.18546	5.5
287.20081	4.0
295.24432	7.4
299.20044	4.5
301.21524	2.4
307.24292	2.2
313.21738	4.5
315.23224	1.5
320.24680	1.6
321.25827	2.0
322.22543	1.7
327.23282	1.7
349.28629	2.4
359.82281	1.4
366.32352	1.4
391.33600	22.0
397.37332	1.6
419.33276	3.2
437.06638	2.7
437.34186	100.0
438.34457	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03931	0.8
54.85213	0.6
55.01872	0.9
55.05507	10.3
57.07069	4.3
59.04997	0.8
59.59733	0.6
65.03923	1.2
66.02081	0.7
67.05499	20.3
69.07059	12.4
69.53317	3.8
69.53719	1.1
71.04980	1.3
77.03899	0.7
79.05486	12.0
80.18286	0.7
81.07050	29.6
83.08607	7.6
85.06538	3.2
89.76338	0.7
91.05473	14.9
93.07037	27.4
93.07629	1.3
95.04959	2.8
95.08599	50.6
96.08942	1.2
97.06519	2.6
97.10158	2.2
98.21499	1.3
99.08075	1.7
103.05472	1.0
105.07019	36.8
107.08582	43.1
109.06496	2.4
109.10146	42.8
111.08062	2.7
111.11722	1.5
113.09664	1.9
115.05457	1.1
117.07001	7.0
119.08569	48.2
120.08888	1.4
121.10135	44.0
122.10427	0.8
123.08054	3.7
123.11695	11.3
125.09621	2.8
129.07005	3.0
130.07733	1.5
131.08562	17.5
133.10112	39.2
135.04364	0.8
135.08073	2.4
135.10706	1.4
135.11685	20.5
137.09621	2.4
137.13242	3.3
139.11151	0.8
142.07765	1.3
143.08559	7.7
144.09302	2.0
145.10110	34.9
146.10693	1.1
147.08115	0.7
147.11668	28.6
147.12819	1.5
148.12012	1.3
149.09625	2.8
149.13248	10.8
151.11177	1.9
151.14818	1.9
153.09053	1.7
155.08546	1.9
156.09305	1.9
157.10133	10.4
158.10883	4.0
159.11679	35.4
160.12190	1.0
161.09656	1.1
161.13240	21.7
163.11188	3.6
163.14799	8.9
165.12764	2.1
165.16376	1.2
169.10162	3.2
170.10770	0.8
171.11655	11.2
172.12410	2.1
173.13251	22.5
173.14728	1.4
174.13750	0.8
175.11206	1.5
175.14806	25.1
176.15266	0.9
177.12753	3.1
177.16377	15.4
178.16692	0.8
179.14256	1.6
181.10086	1.3
183.11717	2.4
185.13234	10.7
186.14050	0.9
187.11227	1.0
187.14781	15.5
189.12820	1.1
189.16370	20.9
191.14305	2.2
191.17943	5.8
193.15891	4.6
195.11732	1.5
197.13333	4.5
198.14084	0.9
199.14798	7.8
200.15289	1.5
201.16362	41.4
202.16681	1.9
203.14362	2.5
203.17934	26.1
203.19777	1.4
205.15837	4.8
205.19473	1.4
209.13255	2.0
210.13997	1.0
211.14813	3.7
213.16342	7.2
215.14470	1.4
215.17944	16.1
217.12396	1.2
217.15875	3.3
217.19499	4.1
219.17426	13.2
220.17754	0.9
221.13278	1.2
221.15334	1.1
223.14821	1.6
224.15588	0.9
225.16290	3.8
227.17891	6.1
229.19464	4.6
231.17445	6.2
231.21019	1.2
233.15392	1.1
233.18983	1.4
235.16916	1.5
237.16417	1.0
239.17961	2.4
241.19548	4.7
243.17381	1.7
243.20947	4.1
245.18999	2.6
247.17023	1.3
249.18555	1.9
251.17906	1.0
253.19582	3.3
255.21086	2.9
257.18997	1.1
259.20712	1.6
261.18466	1.1
265.19455	1.7
267.21021	4.0
269.19229	1.0
269.22815	1.9
271.20584	1.9
273.18399	1.7
275.19998	1.1
279.21112	1.0
281.22580	3.7
283.20532	2.0
283.24225	3.1
285.22165	2.1
287.20065	0.8
295.24255	3.3
297.25858	1.4
299.23685	1.7
307.24146	2.0
311.23666	3.1
313.25174	1.4
321.25757	1.1
323.23743	1.6
325.25357	1.3
327.23178	4.1
329.24814	2.8
335.27286	0.8
341.24765	1.8
343.26343	2.2
367.26309	1.8
379.30148	1.7
381.27612	1.8
391.33554	18.0
401.32114	1.7
409.30392	1.7
409.34702	2.3
419.33057	15.1
437.34149	100.0
438.34625	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.05507	9.6
56.20319	1.5
57.07064	2.7
65.03912	1.7
67.05503	25.5
69.07065	17.5
69.51384	11.7
72.34162	1.4
73.18909	1.5
79.05487	15.1
81.07055	43.1
83.08611	6.6
91.05476	16.4
93.06493	2.2
93.07044	31.3
95.04957	5.7
95.08604	72.6
97.06521	5.5
97.10175	6.2
98.21601	1.9
105.07027	39.9
107.08590	49.2
109.06489	2.7
109.10152	35.7
111.08089	4.3
111.11680	2.4
113.06010	3.1
117.07015	8.5
119.08578	45.9
121.10133	35.2
123.08051	7.0
123.11705	11.4
125.09650	4.1
128.06178	1.6
129.07004	2.9
130.07771	1.9
131.08553	19.4
133.10126	29.6
135.11696	17.1
137.13252	3.4
141.09111	3.6
143.08554	5.1
145.10114	35.3
147.11696	24.6
149.09645	1.8
149.13249	26.9
151.14871	1.5
157.10155	9.5
158.10860	1.8
159.11688	27.7
159.12904	2.5
161.09671	2.4
161.13263	24.8
163.14813	19.0
169.10153	1.9
171.10263	1.5
171.11638	7.7
173.09641	2.1
173.13263	21.5
175.11208	2.2
175.14821	19.9
177.16364	14.1
183.11725	2.4
185.13304	7.2
187.11214	1.5
187.14812	31.0
189.16385	19.3
191.17915	3.5
197.13252	3.2
199.14740	7.6
201.16383	28.4
203.17958	22.1
207.13823	2.3
211.14867	2.5
213.16338	9.2
215.17931	30.0
217.15915	2.7
217.19547	11.6
219.13850	2.4
221.15414	5.5
227.17804	6.6
229.19568	5.1
231.17398	1.9
231.21146	2.5
233.15286	2.8
235.16913	3.0
239.17987	2.4
241.19562	3.4
243.21106	3.1
247.16953	4.6
253.19568	2.3
255.21086	5.3
257.22638	2.0
259.16800	2.4
261.18430	3.2
267.21173	1.5
269.22708	2.3
275.20169	4.4
277.81509	1.5
283.24512	3.4
287.19852	2.2
303.94406	1.5
313.21606	2.8
327.23230	2.8
341.24750	2.7
363.30157	1.9
367.26309	3.8
391.33545	6.2
401.32181	2.3
419.33057	5.4
437.34152	100.0
438.34399	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.4
57.07060	5.2
67.05506	18.6
69.07069	21.6
69.47807	4.5
69.48232	5.0
79.05486	9.8
81.07053	52.9
83.08623	9.7
91.05478	7.8
93.07047	23.7
95.04980	1.4
95.08605	82.0
97.10159	4.9
105.07019	25.0
107.08589	33.8
109.06664	1.4
109.10162	35.2
116.08585	1.4
117.07001	4.4
119.08580	50.2
121.09328	2.4
121.10141	25.2
123.11697	18.6
129.07014	3.9
130.07724	1.2
131.08557	13.0
133.10124	25.2
135.11685	15.1
137.13252	12.7
143.08574	8.4
144.09387	1.8
145.10121	40.4
147.11703	19.5
149.13281	13.8
151.14824	8.2
153.09087	2.9
155.08571	4.0
157.10141	9.6
159.11711	21.3
161.13258	14.5
163.14825	14.2
169.10147	5.7
170.64532	1.2
171.11697	13.0
173.13277	20.4
175.14825	29.0
176.15202	1.7
177.16345	10.1
179.14273	1.9
183.11713	5.4
185.13196	10.0
187.14780	10.9
189.16377	22.5
191.17921	14.5
197.13287	5.0
199.14830	10.0
201.16380	27.5
203.17946	23.2
205.19604	2.2
209.21800	1.4
210.14001	1.4
211.14842	5.0
212.15546	1.8
213.16315	12.6
215.18010	13.7
217.12320	2.0
217.19501	7.0
221.15396	5.6
223.14813	1.7
225.16409	4.6
227.18010	4.4
229.19469	7.2
231.17456	2.4
237.16438	1.4
239.17964	10.5
241.19518	19.4
243.21071	12.1
245.15474	2.3
247.16893	8.6
251.17926	1.8
253.19632	6.6
255.21045	7.8
259.16940	4.7
259.20618	3.9
261.18555	1.7
265.19543	2.4
267.21158	5.3
269.22604	3.5
271.16962	2.7
273.18484	2.9
279.21082	1.6
281.22784	2.2
285.18497	12.7
287.20007	5.8
293.22702	2.7
295.24243	4.9
299.20102	5.9
303.04672	1.5
307.24280	3.7
313.21689	5.3
321.25839	2.8
327.23077	1.6
335.27328	6.3
349.28851	2.7
353.24741	2.2
367.26376	1.6
384.51242	1.4
391.33603	27.2
392.33878	3.3
437.34174	100.0
438.34546	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05506	9.9
57.07062	4.8
58.28571	1.5
65.39221	1.5
66.31953	1.5
67.05216	1.6
67.05511	14.1
69.07066	12.9
69.25488	2.4
69.25836	17.5
79.05485	11.7
81.07053	32.2
83.08613	8.0
91.05473	16.1
93.07033	27.6
94.00328	1.6
94.21260	1.5
95.04975	2.6
95.08604	52.8
97.10174	4.2
105.07018	39.4
105.07697	2.3
107.08587	46.1
109.06497	2.2
109.10149	27.4
117.07020	9.0
119.08579	59.7
121.10135	42.6
123.11711	16.9
126.51118	1.5
129.07016	2.2
130.07735	1.8
131.08557	17.2
133.10117	39.1
135.11690	25.6
137.13269	3.7
143.08562	6.5
144.09341	2.2
145.10110	35.1
146.10495	1.8
147.11673	35.6
149.13246	15.1
153.09106	4.1
157.10132	7.3
158.10825	2.2
159.11674	35.3
160.12416	2.1
161.13245	22.6
163.14813	8.8
171.11708	5.6
173.13260	14.6
175.14815	27.3
177.09126	3.3
177.16418	16.1
183.11696	2.9
185.13278	4.7
187.14784	10.5
189.16368	48.2
190.16843	1.6
191.17914	13.2
197.13214	2.2
199.14819	4.0
201.16373	54.2
203.17937	57.1
207.17380	2.3
211.14743	2.8
213.16393	7.9
215.14240	1.6
215.17947	19.3
217.19554	6.1
221.15427	2.1
225.16463	2.7
227.17970	4.8
229.19530	5.1
231.17413	2.4
235.16844	3.0
239.17897	2.4
241.19560	4.3
243.21010	7.1
247.16902	10.2
253.19463	3.2
255.21135	3.0
261.18433	11.1
263.16306	2.0
269.22705	2.6
273.18332	1.9
287.20071	2.5
295.24243	5.5
299.20062	2.7
315.23166	2.2
327.23276	2.2
335.27301	2.9
388.65720	1.7
391.33530	16.8
391.41290	2.0
394.28409	5.0
419.33487	1.9
437.34177	100.0
438.34567	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68140	1.5
53.03941	2.3
55.05505	10.4
57.07061	6.2
57.26595	1.3
65.03934	1.9
67.05507	15.1
69.07063	16.7
70.54871	3.7
71.08620	1.4
79.05486	10.0
81.06598	2.6
81.07052	37.6
83.08600	8.6
91.05457	14.5
93.07036	31.1
95.07986	3.4
95.08598	68.3
97.10167	4.6
102.87234	1.7
104.76920	1.6
105.07021	43.0
107.08585	42.2
109.10141	26.8
117.07014	5.4
119.08566	58.1
121.10139	34.9
121.10815	0.9
123.11687	16.4
129.07008	2.0
130.27269	1.6
131.08569	15.2
133.10118	38.2
135.11684	31.2
137.13217	14.6
143.08569	6.4
145.10097	30.3
147.11668	34.5
147.78198	1.6
149.13242	23.8
151.14784	2.2
153.09077	3.7
156.01239	1.5
157.10123	7.0
158.10941	3.3
159.11684	33.3
160.12340	1.7
161.13243	24.1
163.14830	8.6
169.10114	3.0
171.11673	8.8
173.13210	15.3
175.14821	27.2
177.16376	22.9
183.11575	2.9
185.13284	4.4
187.14832	14.1
189.16367	51.5
191.17941	12.2
193.15863	2.6
197.13235	3.1
199.14835	6.3
201.16371	51.2
202.16794	2.4
203.17950	66.3
204.18178	1.8
207.17412	2.3
211.14818	3.5
213.16318	11.7
215.17909	24.2
217.19511	7.0
221.15312	3.1
225.16431	2.1
227.17888	4.7
229.19357	7.6
235.16939	5.5
237.47354	1.7
239.18034	5.0
241.19479	9.7
243.21165	9.5
247.14525	1.7
247.16957	4.6
253.19510	4.6
255.21069	6.6
259.16940	6.6
261.18597	5.1
267.21121	3.6
269.22705	4.4
273.18536	3.2
283.24377	2.0
287.20087	4.5
289.21603	2.1
295.24268	3.2
299.20129	3.9
301.21725	3.1
305.60306	1.6
313.21567	2.6
335.27063	2.0
367.26559	2.2
381.27985	1.9
391.33505	19.6
419.33060	2.9
424.26556	1.7
437.34137	100.0
438.34500	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.9
57.07062	4.9
67.05496	12.6
68.25762	1.4
69.07066	14.9
69.18204	20.2
79.05500	10.0
81.07045	29.2
81.07478	3.1
83.08617	6.2
91.05488	12.1
93.06492	2.2
93.07042	21.7
95.04976	2.3
95.08606	46.6
97.10204	2.1
105.07024	36.4
106.88844	1.6
107.08579	36.7
107.58590	1.7
109.06467	1.8
109.10146	25.6
111.08042	1.6
117.07024	4.7
119.08580	57.1
121.10138	32.7
123.11718	13.2
128.06100	1.7
129.07014	2.6
131.08560	14.4
133.10115	40.0
134.10420	2.5
135.11676	21.7
137.13271	9.2
143.08577	5.8
144.09346	2.3
145.10115	32.5
145.45064	1.7
147.11679	32.2
149.13235	14.3
151.14809	2.4
153.09100	3.7
157.10139	7.7
158.10840	3.9
159.11682	43.4
160.12201	2.8
161.13252	20.8
163.11165	1.9
163.14853	10.0
165.09114	2.0
171.11714	5.9
173.13260	17.6
174.14175	2.2
175.14795	33.5
177.16365	22.0
183.11714	2.6
185.13335	3.9
187.14783	14.3
189.16367	78.2
190.16724	3.3
191.17970	8.8
199.14819	6.7
201.16374	55.2
202.16776	1.9
203.17947	51.6
204.18437	2.2
205.19470	2.2
207.17480	2.2
213.16353	10.6
215.17929	25.7
217.19514	6.1
225.16293	2.7
227.17946	4.3
229.19542	5.1
235.16963	3.8
241.19543	5.6
243.21092	7.1
247.16884	3.7
249.18446	4.1
255.21138	2.5
259.16998	6.5
261.18515	4.1
273.06094	2.0
273.18716	1.9
335.27472	2.1
349.29126	2.1
367.26419	2.1
391.33633	15.8
395.29767	2.1
419.33243	2.3
437.34167	100.0
438.34427	7.8
453.31335	1.8
462.14435	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	437.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63432	0.2
53.03934	0.6
55.01862	1.8
55.05500	2.1
57.03404	0.3
57.07043	0.8
59.04971	0.4
65.03920	0.7
67.05196	0.2
67.05495	3.7
69.03403	0.4
69.07062	3.5
69.41658	2.7
69.81837	0.3
79.05486	3.0
80.02601	0.3
81.06608	0.5
81.07049	7.3
83.08601	1.5
85.06527	0.4
87.91447	0.3
91.04916	0.4
91.05476	5.9
93.07036	5.1
95.04951	2.0
95.07990	0.5
95.08601	8.6
97.06496	0.5
97.10130	0.6
105.07025	5.7
107.07887	0.5
107.08590	7.2
109.06534	0.4
109.10154	4.9
111.04407	0.8
115.05452	0.4
117.07035	1.7
119.08572	9.0
121.10143	5.0
123.04385	0.5
123.08067	0.8
123.11688	2.4
125.05962	0.8
125.09619	0.3
128.06148	0.3
129.06979	1.2
131.08549	3.2
133.06422	0.4
133.10124	6.2
135.08046	0.5
135.11671	3.8
137.05983	0.5
137.09618	0.4
137.13242	1.1
138.03139	1.8
139.07564	0.4
141.06992	0.8
143.08556	1.9
143.49272	0.3
144.09367	0.4
145.10118	5.5
146.10864	0.4
147.11659	4.2
149.13245	1.8
151.03889	0.6
151.07538	0.5
153.05464	1.2
153.09085	0.8
155.07172	0.6
155.08546	1.4
157.10149	2.0
159.11668	5.1
161.13228	3.2
163.14835	1.4
165.07108	0.3
166.02612	2.0
167.07016	1.5
167.08534	1.4
167.10612	0.3
169.10083	1.4
171.11665	1.3
173.13239	2.2
175.14815	3.4
177.16402	2.2
179.08545	0.4
181.04944	100.0
181.10158	1.2
182.05298	2.5
183.06535	2.9
183.11671	1.4
184.03664	2.5
185.13280	1.5
185.30428	0.3
187.14806	2.1
189.12744	0.4
189.16367	6.4
191.17928	1.3
195.11674	0.8
197.13225	1.3
199.14734	1.5
201.16364	5.1
203.17932	5.7
205.10168	0.3
209.08069	10.0
209.13367	0.5
211.14891	0.9
213.16422	1.5
215.14404	0.4
215.17960	2.8
217.15851	0.6
217.19516	0.4
219.17508	0.5
223.14851	0.8
227.17975	0.9
229.19531	0.8
237.16394	5.4
238.16896	0.4
239.17949	0.7
241.19513	0.8
243.17349	0.4
243.21062	0.9
247.14766	0.5
247.17003	0.9
253.19453	0.8
255.21082	0.9
257.18982	0.4
259.16800	0.4
261.18518	0.5
265.15854	0.7
265.28067	0.3
269.22610	0.5
272.85336	0.3
285.18344	0.6
293.23019	0.4
349.24783	0.3
353.24820	0.5
391.33603	2.8
401.96854	0.3
409.34973	0.4
419.22293	1.1
419.33118	1.6
437.34167	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	437.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69110	0.7
52.65454	0.6
61.02890	2.3
64.47213	0.7
68.85447	0.6
69.03426	8.5
70.06560	1.3
71.50173	0.9
73.02878	1.6
79.05450	0.9
81.03378	2.8
81.07032	1.6
85.02911	8.7
87.04431	1.0
93.07017	0.9
95.04948	1.6
95.08555	1.1
97.02876	4.4
99.96751	0.7
100.00743	0.7
105.07041	1.2
105.95612	0.7
106.02882	1.3
107.04910	1.0
107.08582	1.0
109.02831	1.8
111.04504	0.9
113.07116	1.3
119.08567	0.7
121.10114	0.8
123.04435	5.4
127.03880	2.6
134.06007	0.7
139.03879	1.3
145.04837	1.0
145.07578	1.0
152.27878	0.8
153.01794	2.0
163.03831	1.5
165.05463	1.2
169.64424	0.8
173.10698	1.9
181.04982	0.7
184.09843	1.6
186.12787	1.0
187.08659	2.3
191.03336	1.2
194.84892	0.8
196.09886	0.9
197.10732	1.2
198.11501	2.5
201.13907	4.0
211.12285	4.5
212.09581	0.9
212.12926	1.1
213.10167	4.7
213.13824	2.4
214.10986	4.5
219.02875	1.5
227.11786	29.1
228.12564	67.3
229.13322	39.0
230.13710	1.5
239.11812	1.4
240.12486	1.4
241.13290	1.0
256.35440	0.7
257.12845	100.0
258.13120	3.8
272.64713	0.8
275.13889	61.2
276.14215	3.4
345.38510	0.7
419.13675	0.8
419.18109	45.6
420.18475	2.6
437.19247	46.9
438.19452	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	437.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14172	0.8
53.03946	1.6
55.01878	3.0
55.05509	2.8
57.03452	1.1
57.67813	0.9
64.05856	0.9
65.03947	1.8
67.05491	4.8
69.03432	3.9
69.07072	3.8
70.66309	0.8
71.51439	1.4
73.09849	0.8
79.05492	11.2
81.03413	4.0
81.07045	7.0
83.04991	2.2
85.02922	1.8
85.06530	1.1
91.05480	12.0
92.95432	0.8
93.03381	1.5
93.07029	6.5
95.04976	5.3
95.08632	6.2
97.02868	1.2
97.06535	3.3
99.04426	1.1
103.05486	5.1
105.07029	24.9
107.04943	7.4
107.08604	6.4
108.05750	1.4
109.02870	2.0
109.06561	4.7
109.10175	4.2
111.04443	1.2
111.08098	2.2
115.05463	1.9
117.07035	3.6
118.04178	7.6
119.04948	5.1
119.08581	5.5
120.05748	2.1
121.06527	3.9
121.10115	4.3
122.07269	2.2
123.04442	7.5
123.08057	2.7
123.11709	2.1
124.05221	1.7
125.05990	1.9
125.09645	1.2
127.03934	1.2
129.07025	1.7
131.04904	1.3
131.08553	3.1
133.02896	1.7
133.06497	22.4
133.10129	4.1
134.07310	1.6
135.04414	4.5
135.08073	6.1
135.11760	2.0
137.02327	2.6
137.05957	8.8
137.09637	1.6
139.03908	1.0
140.04718	1.4
141.06961	1.2
143.08649	1.6
145.10149	5.1
145.50409	0.8
146.03702	1.5
147.04391	2.8
147.08061	1.1
147.11700	3.0
148.05232	1.4
149.06003	4.6
149.09633	2.4
149.13289	1.3
150.06772	13.7
151.03940	2.6
151.07561	5.8
153.01848	2.6
153.05473	2.0
153.09087	0.9
155.07076	1.4
155.08466	1.0
157.06500	0.9
157.10146	1.9
159.08125	1.0
159.11700	3.3
161.05984	3.6
161.09676	1.4
161.13219	2.5
163.03902	2.4
163.07648	2.1
163.11221	1.1
165.05519	3.7
165.09108	13.4
166.06250	1.7
167.03490	1.2
167.07043	19.3
168.07701	1.7
171.11630	1.5
173.13258	1.3
175.11192	1.7
175.14911	1.0
177.05467	1.9
178.06276	1.9
179.07028	2.9
180.07852	1.4
181.04973	16.2
181.08585	2.0
182.05489	1.2
187.14780	1.4
191.03374	5.6
193.04948	1.7
193.08609	56.0
194.09024	1.6
197.08107	1.0
199.14857	1.3
205.08633	4.0
207.06551	2.7
208.07330	3.8
209.08112	1.8
211.09651	100.0
212.10165	2.1
225.07533	8.1
226.08397	2.5
291.03336	0.9
301.07016	2.6
316.05777	2.4
317.06421	1.3
347.02417	1.3
391.04904	1.1
395.11105	1.1
437.05280	4.0
437.21359	15.9
437.30270	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01859	7.0
55.05491	5.7
57.03421	5.2
60.86007	1.6
61.02906	4.5
65.03909	1.8
67.05488	2.9
68.99791	3.1
69.03432	22.0
69.07056	5.5
69.45641	8.8
69.46066	4.2
71.04986	12.0
73.02901	3.3
79.05489	6.2
81.03419	20.2
81.07063	14.2
83.08618	2.1
85.02903	33.3
87.00831	23.0
91.05473	8.2
93.07045	14.2
95.04945	2.7
95.08609	4.8
97.02889	21.4
97.06522	2.0
99.04436	13.5
105.01871	19.0
105.07021	6.8
107.04938	2.9
107.08612	12.6
109.02870	11.2
109.06513	4.6
109.10143	6.7
111.04417	2.1
115.03923	2.9
116.76235	1.7
117.01800	1.5
117.05483	2.9
118.06544	5.0
119.04939	2.7
119.08578	8.3
121.02795	1.8
121.06479	3.2
121.10151	3.8
123.04405	7.3
123.08070	2.1
127.03924	26.0
129.01860	1.9
131.08626	2.3
132.08083	2.6
133.06454	1.8
133.10184	2.0
135.04396	2.8
135.08058	2.1
135.11653	13.4
137.02272	1.8
137.09648	2.8
143.08472	1.6
145.04968	9.0
145.07593	12.0
145.10083	3.8
147.04410	5.4
147.08131	1.3
147.09167	28.4
149.09637	3.2
151.07562	2.0
153.12743	36.3
153.25362	1.8
159.02823	1.7
159.07951	3.5
159.09163	17.6
159.11586	1.4
160.09915	3.5
161.05934	2.9
161.10724	2.3
163.03912	3.7
165.12735	4.3
167.06944	2.3
173.09552	2.9
173.13284	1.6
175.08719	3.2
177.12749	5.6
181.04939	3.8
182.05342	2.0
182.15459	1.7
184.10008	1.8
185.10762	5.5
187.00058	1.5
187.08804	2.6
189.10307	3.9
191.03429	17.1
191.08147	100.0
192.08492	4.3
195.13789	4.0
197.10776	4.0
199.12300	7.9
201.97818	1.7
207.06700	1.9
216.07700	11.4
217.13228	1.8
227.11800	4.5
231.05022	2.8
234.08321	2.3
237.14859	2.0
243.13817	4.7
245.12944	7.0
249.05974	2.2
261.14896	6.4
263.13904	5.7
268.07935	1.8
271.10806	2.8
285.07501	2.2
289.11746	6.4
303.04816	2.1
304.05399	6.2
305.15018	5.7
307.12872	17.3
343.08014	4.6
347.14877	2.4
349.13998	35.1
350.13879	4.4
365.16000	4.8
383.17038	6.6
392.14484	12.8
393.12857	22.8
394.13199	3.0
436.13501	55.4
436.19498	3.1
437.13879	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75402	1.2
55.01866	3.1
57.03436	8.2
61.02907	2.1
69.03416	5.7
70.06593	8.9
70.68108	1.4
71.51672	2.0
73.02913	3.6
75.04456	2.1
79.05464	2.3
81.03399	4.2
85.02907	14.2
91.05489	9.0
95.04951	3.0
97.02900	6.7
105.07027	23.4
106.02906	1.9
106.99790	1.6
107.04922	5.6
112.03930	1.8
121.02848	5.5
123.04415	4.7
124.03908	3.9
124.07653	1.5
125.05973	3.5
127.03917	4.1
133.04932	3.2
133.06482	49.6
137.05974	100.0
138.06277	1.4
139.03923	2.3
145.04962	3.2
149.05965	1.4
151.07507	2.0
153.68353	1.5
157.22464	1.6
163.03934	2.2
163.07518	3.3
165.09106	36.5
167.07024	1.4
175.07570	2.5
177.05370	2.4
177.09152	1.6
181.08603	4.1
183.10158	22.8
191.07054	1.6
206.66982	1.3
211.09598	1.7
219.91875	1.4
221.11696	4.3
239.12753	4.2
257.13824	47.5
273.03772	2.2
274.04221	4.7
283.08255	1.5
317.05984	1.4
323.74762	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	436.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01855	1.4
57.03438	0.6
57.07958	0.6
69.03423	1.3
69.53178	4.4
70.06586	8.8
79.05487	2.8
81.03397	1.1
81.05777	2.2
81.07045	1.9
85.02883	2.6
91.05461	0.7
94.06553	0.8
96.08129	11.4
97.02878	0.8
97.06507	1.0
97.74181	0.5
106.06554	1.7
107.04951	0.7
109.02884	1.3
112.07570	0.8
113.07139	0.6
119.04927	1.3
123.04430	2.4
124.07581	100.0
125.06020	1.6
125.07899	1.0
126.09149	1.7
127.03918	1.3
139.03882	1.8
140.06998	0.7
141.05492	0.6
142.08630	1.1
147.04338	2.9
149.05954	1.2
152.05669	1.1
153.01762	0.9
154.04921	0.8
155.03354	0.6
163.03909	0.8
165.05476	0.8
167.06975	0.8
173.13246	1.5
177.05452	4.7
191.03345	1.2
191.14212	0.7
219.55476	0.6
256.11838	1.9
274.07266	0.8
274.12708	1.1
295.36530	0.6
296.55844	0.7
304.14020	0.8
328.92712	0.7
379.10144	1.2
436.15918	4.8
437.15610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3255
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
50.91625	1.2
53.03951	3.1
55.01863	2.2
55.05502	12.6
57.03445	1.3
57.07062	3.3
59.04990	3.2
65.03938	3.3
67.05502	62.7
69.07058	11.9
69.48706	7.8
79.05483	27.6
81.03404	4.2
81.07049	36.4
83.04972	3.7
83.08612	9.2
85.06538	2.9
91.05480	26.3
93.06528	1.0
93.07033	34.4
95.04959	9.6
95.08600	36.4
97.06502	1.9
97.10150	2.5
98.21539	1.4
105.07021	41.4
107.04952	2.9
107.08580	41.3
109.06512	5.2
109.10146	44.4
111.08067	4.1
115.05464	1.5
117.05699	1.5
117.07008	8.0
119.08573	50.4
121.06516	2.7
121.10134	21.4
123.08058	3.0
123.11700	4.7
125.09692	2.2
128.06192	2.9
129.07013	8.2
131.08554	16.4
133.10118	29.5
135.08038	1.6
135.11665	9.5
137.09558	3.2
137.13249	1.9
141.06990	1.7
142.07808	3.7
143.08556	11.9
144.09302	3.8
145.10109	32.3
147.07971	1.7
147.11674	27.5
149.09561	1.6
149.13277	6.9
155.08524	2.7
156.09329	6.4
157.10112	17.9
158.10907	3.1
159.11682	39.8
161.09642	2.7
161.13255	13.8
163.07500	1.7
163.14848	8.8
167.08517	1.4
169.10114	5.3
170.10869	3.5
171.11687	28.9
172.12433	1.5
173.11752	7.4
173.13269	23.0
175.14806	26.5
177.16388	8.7
179.14333	1.4
183.11722	4.7
184.12489	3.1
185.13251	11.5
186.14081	1.6
187.14795	23.4
189.12704	3.2
189.16385	23.2
191.17955	1.9
195.11699	2.2
197.13268	3.6
198.13994	1.8
199.10988	1.6
199.14827	23.3
201.16365	51.9
203.17880	8.9
205.19571	1.4
207.13751	9.6
207.17262	1.5
209.13278	3.5
211.14825	4.7
213.16359	33.5
213.18391	1.9
215.14282	1.8
215.17950	14.9
217.19566	3.1
223.14771	2.3
225.16351	3.0
227.17937	6.2
229.15941	2.0
229.19472	1.8
231.17577	1.9
231.42738	1.4
233.18965	1.4
235.16872	2.4
237.16293	2.5
239.17931	3.1
241.19481	4.7
247.16878	3.0
251.18094	1.8
253.19502	2.3
259.16989	1.6
261.18448	3.0
265.19455	3.9
267.21140	3.3
269.22717	1.6
273.18430	1.9
279.20984	3.4
281.22614	1.8
293.22614	5.1
295.24341	1.6
299.20016	2.0
303.01318	3.1
304.88507	1.4
319.24091	2.6
325.21844	2.4
327.23004	2.3
333.25818	2.1
341.24741	3.2
343.22626	2.4
389.32022	22.7
393.27481	1.6
407.33087	10.3
417.26385	1.8
417.31567	4.6
435.27237	25.0
435.32544	100.0
436.32935	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	435.3255
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03925	0.5
55.05513	3.2
61.57847	0.4
65.03947	0.5
65.48058	0.4
67.05502	3.5
69.07066	15.0
69.18209	0.7
69.18613	3.9
79.05491	2.7
81.07056	6.1
83.08613	2.2
91.05479	3.8
93.07047	6.3
95.04943	0.7
95.08598	8.5
97.10143	0.6
105.07021	10.9
107.08582	7.9
109.06580	0.5
109.10152	4.2
113.33412	0.4
115.05484	0.4
117.07017	2.0
119.08575	14.6
121.10147	6.3
123.08053	0.5
123.11685	1.1
128.06230	0.6
129.06992	1.5
131.08554	6.0
133.10121	9.3
135.08009	0.5
135.11699	2.3
137.13289	0.4
141.06923	0.8
142.07768	1.8
143.08562	6.4
144.09357	1.1
145.10115	9.7
147.11681	6.1
149.13269	1.4
153.09064	0.7
155.08588	1.8
156.09372	2.0
157.10121	9.5
157.11339	0.7
158.10866	1.6
159.11685	12.1
161.13229	4.4
163.14845	2.3
169.10115	2.9
170.10907	1.7
171.11688	7.8
172.12480	1.0
173.13257	7.9
175.14816	18.4
177.16399	3.7
178.07794	0.5
179.14317	0.4
181.10135	1.1
182.10875	1.1
183.11653	3.4
184.12454	1.6
185.13237	3.7
187.14789	4.7
189.16360	4.6
191.17970	0.5
193.10156	0.4
193.15898	1.3
195.11655	1.9
196.12502	0.5
197.13257	4.6
198.14026	1.7
199.14809	7.5
201.16386	8.3
203.17960	2.7
207.11662	1.1
209.13213	2.5
211.14795	2.8
212.15614	0.9
213.16367	17.2
214.16872	0.7
215.17972	6.6
219.13991	0.5
220.12708	0.5
221.13214	1.1
221.15425	1.3
222.13937	0.6
223.14906	2.1
225.16409	2.4
227.17920	3.8
229.19589	1.2
233.15552	0.4
235.14809	1.1
235.16870	0.5
237.16411	2.1
239.17912	1.0
241.19485	2.5
249.16333	1.4
251.17967	1.6
253.19534	0.7
263.17892	0.8
264.18668	0.5
265.19479	1.4
267.21118	0.8
275.17896	0.8
277.19492	1.4
279.21127	1.5
281.12000	0.4
281.22495	0.7
291.21069	1.1
293.22665	1.6
305.22644	2.1
307.24100	0.5
311.20004	0.6
318.23697	0.5
319.24216	2.8
320.24756	0.7
321.25677	3.0
331.24261	1.2
333.25830	4.2
337.21378	0.4
339.23264	0.5
343.22739	0.8
346.26428	2.1
347.27261	0.9
350.22607	0.5
351.23129	2.1
365.24680	2.8
366.25534	2.6
367.26266	1.9
377.24786	1.9
379.26279	10.8
389.32028	7.6
392.27133	2.1
417.26358	0.6
417.31412	0.9
435.32565	100.0
436.32886	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	435.3254
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03927	2.4
55.05511	10.9
57.03419	4.0
57.07062	3.9
65.03929	2.6
67.05502	24.9
69.07067	11.4
70.33021	2.6
70.33421	1.9
71.04968	1.4
73.96191	1.0
77.03940	1.3
79.05488	18.9
81.03405	2.1
81.07052	20.5
83.04955	2.9
83.08618	6.3
91.05467	18.0
93.07033	24.9
95.04972	10.6
95.08599	26.6
97.06519	3.3
97.10149	4.5
97.69069	1.0
98.20890	1.1
105.07024	26.2
107.04964	3.6
107.08585	30.3
107.09308	1.5
109.06457	2.6
109.10155	15.0
111.08105	1.2
115.05405	1.6
117.06998	8.8
117.29678	1.0
119.04805	1.2
119.08572	46.1
121.06499	2.2
121.10128	16.2
123.08037	2.1
123.11697	5.1
125.05957	1.3
125.09651	2.3
128.06268	2.8
129.07002	7.2
130.07808	2.2
131.08549	19.3
133.10112	26.9
135.08009	1.8
135.11678	17.9
137.13304	1.5
141.06946	1.9
142.07748	6.6
143.08554	14.1
144.09328	3.3
145.10117	35.9
146.10732	1.0
147.08018	1.7
147.11676	17.4
149.09619	1.9
149.13283	5.3
151.11195	1.2
153.09090	1.6
155.08543	4.7
156.09357	7.9
157.10117	31.2
158.10851	2.4
159.11685	37.4
161.13240	12.6
163.11185	2.0
163.14812	5.8
167.08507	1.3
169.10114	7.4
170.10878	6.6
171.11664	24.9
172.12395	1.4
173.11760	2.1
173.13205	15.6
175.11241	1.2
175.14801	23.6
177.16339	9.1
179.14291	1.1
181.10031	1.4
181.12308	1.7
183.11682	4.2
184.12466	11.2
185.13225	11.0
186.13919	1.8
187.11276	1.2
187.14804	17.4
188.15428	1.2
189.12764	1.6
189.16360	23.6
195.11649	2.2
197.13243	7.9
198.14023	3.0
199.14798	69.2
200.15178	2.2
201.16359	69.3
202.16743	2.0
203.14334	1.4
203.17921	19.7
205.19389	1.9
207.13730	2.3
211.14844	4.4
213.16370	23.4
215.17967	10.7
217.15884	2.1
217.19510	2.3
223.14833	1.9
225.16454	2.0
227.17935	4.9
229.19446	1.6
231.17436	2.2
235.16930	1.8
237.16267	1.4
239.18004	2.1
241.19479	3.6
247.16873	1.8
249.18520	2.3
253.19556	3.1
259.16898	2.5
261.18423	2.4
265.19580	1.8
271.16812	1.5
292.96222	1.2
293.22394	1.5
299.20135	2.6
301.30167	1.2
313.21457	1.5
315.23068	1.7
325.21548	3.9
343.22668	12.1
347.27377	1.6
361.23743	3.4
389.31955	16.0
417.26413	6.5
417.31299	1.6
435.27338	12.5
435.32565	100.0
436.32870	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
50.37490	0.9
55.01863	4.0
55.05516	6.7
55.77985	0.8
57.07066	1.5
67.05508	14.1
69.03418	1.0
69.07069	11.2
70.55141	3.1
79.05485	11.7
81.06587	2.0
81.07053	21.6
83.08616	5.3
83.35567	1.0
89.01721	1.0
91.05486	12.4
93.07047	19.6
95.04959	3.3
95.08601	28.8
97.10165	2.4
98.21490	1.4
105.07029	32.8
107.08587	25.6
108.76442	1.0
109.06527	2.0
109.10158	16.1
111.08113	1.3
113.43780	1.1
117.07015	5.5
119.08582	43.1
121.10147	20.2
123.08064	1.7
123.11706	5.9
125.06054	1.6
125.09593	1.2
128.06238	2.1
129.07027	4.2
131.08575	19.0
133.06508	1.4
133.10127	32.8
135.08031	1.4
135.11673	8.9
137.13266	2.2
139.07533	1.0
141.06992	2.1
142.07834	2.9
143.08557	12.8
144.09305	1.9
145.10127	27.5
147.11668	18.3
149.13257	5.1
151.07556	1.6
151.11232	1.1
153.09184	2.2
155.08527	3.0
156.09283	2.0
157.10124	15.5
158.10832	1.9
159.11700	23.5
160.12379	1.0
161.13258	12.9
163.07516	1.7
163.14789	5.4
167.08548	1.3
168.09247	1.1
169.10129	4.9
170.78941	1.0
171.11691	13.4
173.13245	16.4
175.14812	19.7
177.16408	5.5
181.04958	37.5
181.06564	1.8
181.08589	4.7
181.10045	2.4
183.06526	1.8
183.11681	5.4
184.03664	1.0
184.12361	2.2
185.13248	5.6
186.13976	1.7
187.14833	15.9
189.16386	24.9
191.17841	1.9
193.12183	1.1
195.11688	2.6
197.13292	5.4
199.14836	16.5
201.16371	33.7
202.16704	1.0
203.18010	5.3
207.11758	1.7
209.08090	16.5
209.13251	2.4
211.14827	3.2
213.16388	14.5
215.17982	11.6
221.13289	1.1
221.15346	1.9
223.14777	1.5
225.16412	2.6
227.17963	5.3
229.15907	1.3
229.19533	2.7
235.14679	1.1
235.16869	2.1
237.16365	2.7
239.17978	2.7
241.19537	4.1
247.16922	1.3
251.17976	1.4
253.19562	3.2
259.16946	1.7
261.18466	2.7
265.19455	1.7
267.21100	3.2
271.16974	1.1
273.18427	1.2
279.21027	2.7
281.22635	1.7
285.18253	1.5
287.20050	1.5
290.77512	1.2
293.22644	4.2
299.20175	1.9
303.01538	1.2
307.24075	1.1
319.24185	1.8
325.21680	1.8
333.25897	1.9
339.23343	1.9
341.24741	1.2
343.22650	1.4
347.27280	2.0
353.24768	1.6
379.26456	2.0
389.32065	18.3
390.32828	1.2
393.27698	1.4
407.33182	5.3
417.26126	1.4
417.31335	2.5
435.32593	100.0
436.32721	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29195	1.2
53.03938	3.3
55.01867	3.2
55.05505	16.4
55.35563	1.1
57.03421	2.0
57.07071	4.7
57.44185	1.1
57.94727	1.1
63.27373	1.0
65.03931	3.3
67.05501	39.2
69.07068	17.5
71.04973	1.6
71.51807	1.9
71.52208	1.4
79.05025	1.4
79.05488	25.0
80.12394	1.1
81.03397	3.0
81.07052	36.3
82.12617	0.9
83.04984	3.4
83.08611	11.5
85.06567	1.5
86.09703	1.4
89.91857	1.1
91.05464	25.5
93.07036	35.2
94.42290	1.1
95.04966	14.4
95.08601	42.4
97.06538	2.3
97.10162	4.1
101.27689	1.2
103.05475	1.8
105.07024	43.5
106.07313	1.2
107.04954	5.3
107.08584	38.9
109.06515	3.9
109.10154	30.1
111.08063	2.6
115.05488	2.4
117.07010	9.2
119.04966	1.1
119.08575	58.9
121.06505	4.1
121.10130	24.4
123.08051	3.1
123.11703	7.6
125.09600	1.8
128.06247	1.9
129.06979	9.5
130.07761	1.9
131.04907	1.7
131.08554	22.4
133.06488	1.8
133.10121	38.7
135.08054	2.8
135.11702	11.0
137.09644	1.4
137.13309	2.0
139.07507	1.6
140.17159	1.2
141.06946	2.4
142.07782	2.6
143.08531	12.0
144.09332	3.8
145.10112	43.7
147.08020	3.3
147.11687	18.0
149.09602	3.1
149.13268	7.7
153.09108	3.7
155.08566	4.0
156.09320	4.6
157.10107	19.0
158.10832	1.3
159.11679	36.4
161.09642	3.2
161.13240	11.4
163.07520	3.8
163.11218	2.8
163.14827	3.9
169.10110	8.4
170.10909	2.8
171.11676	20.0
172.12447	3.2
173.09636	2.2
173.11783	2.0
173.13229	21.5
175.14813	26.0
177.09108	2.8
177.16415	6.6
179.08612	1.7
181.04962	2.0
181.10118	3.2
182.10884	1.3
183.11646	6.8
184.07262	1.6
184.12436	3.4
185.13281	11.4
187.14801	20.4
189.12732	2.6
189.16357	17.4
191.17970	1.5
193.10074	1.9
193.12311	1.6
195.11714	4.0
196.12408	1.6
197.13211	6.5
198.14008	1.3
199.11375	1.1
199.14818	15.7
201.12675	1.3
201.16371	38.1
202.16806	1.6
203.14360	2.3
203.17973	6.8
207.11780	2.2
207.13808	4.1
209.13216	4.0
211.14824	5.7
213.16368	17.7
215.14362	2.9
215.17932	12.3
219.13789	2.5
221.13266	1.5
223.14861	3.1
225.16394	3.1
227.17963	4.6
229.15865	1.8
229.19522	1.8
233.15309	2.6
237.16443	4.6
239.17822	2.9
241.19502	8.3
243.21170	1.5
247.16974	7.0
249.16351	2.1
251.17902	2.6
253.19450	1.9
255.17273	1.5
255.21051	1.2
259.16907	2.7
259.20447	1.3
261.18637	2.3
263.18027	2.1
265.19568	1.9
267.21066	3.4
277.19360	1.4
279.21097	2.6
281.22577	2.5
285.18469	3.4
293.22641	8.5
296.17621	1.2
299.19977	1.4
303.01337	3.1
305.22665	1.5
307.24146	1.6
315.23041	1.7
319.24216	2.9
325.21545	3.6
327.23538	1.9
333.25714	3.1
343.22614	11.3
344.23062	1.5
347.27267	1.6
353.24661	1.5
361.23810	2.7
365.24811	2.3
379.26135	3.7
389.32065	17.2
390.32458	1.3
392.27209	1.6
392.85440	1.1
393.27634	2.9
400.36545	1.2
407.33237	1.7
417.26349	7.1
417.31033	2.4
435.27310	19.3
435.32556	100.0
436.32993	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.1
53.03933	3.8
55.01849	2.3
55.05508	19.0
57.03424	2.7
57.07066	1.4
57.91864	0.9
59.04987	3.5
61.02945	1.0
65.03928	4.9
66.12797	0.8
67.05501	100.0
68.05832	1.8
69.03422	1.9
69.07064	10.3
71.04983	3.3
71.52570	1.5
77.03886	1.1
79.05488	38.5
81.03416	5.3
81.07050	40.4
83.04981	6.3
83.08617	8.5
85.06532	2.7
86.26741	0.8
91.04902	1.8
91.05474	36.3
93.07037	37.2
95.04959	10.6
95.08602	26.2
97.06505	1.2
97.10151	2.6
99.08106	1.0
101.06011	1.2
103.05452	2.7
105.04482	1.6
105.07027	29.5
107.04976	4.7
107.07882	1.8
107.08585	23.9
109.06497	4.2
109.10149	58.3
111.08060	2.8
117.06995	5.5
119.08571	32.9
119.09215	0.6
121.06487	2.1
121.10133	11.0
123.08064	2.5
123.11684	2.8
129.07002	8.4
131.08562	8.5
133.10112	17.3
135.08064	1.0
135.11691	7.3
137.09636	4.2
137.13257	2.3
141.06912	1.0
142.07770	1.7
143.08569	7.4
144.09326	1.1
145.10095	16.5
147.07970	1.3
147.11681	25.0
148.11960	0.9
149.09557	0.9
149.13287	5.2
153.09027	0.9
155.08516	1.9
155.10649	2.4
156.09373	1.6
157.10135	5.5
158.10934	1.6
159.11679	9.1
161.09578	2.9
161.13237	11.3
163.14854	2.3
169.10115	2.9
171.11665	17.8
173.11722	15.1
173.13255	5.5
175.14822	7.5
177.16382	2.7
181.04958	2.5
183.11682	3.6
185.13205	3.4
187.14815	4.7
189.12721	7.2
189.16367	11.6
191.17932	1.3
195.11638	1.4
197.13248	2.9
199.14775	6.6
201.16359	10.7
203.17941	2.9
207.11882	1.8
207.13779	16.7
209.13228	1.4
211.14862	1.5
213.16377	4.1
215.17862	4.4
223.14838	1.4
225.14653	1.4
225.16592	1.3
227.17891	2.4
235.14937	1.3
237.16426	2.0
239.17987	2.3
241.19460	2.7
245.15396	1.1
247.17053	1.1
251.17870	1.5
253.19513	1.9
259.16995	1.1
267.21359	1.1
271.16888	1.3
279.21036	1.8
285.18439	1.6
291.21082	1.0
293.22513	1.3
299.20093	1.7
315.22870	1.1
339.23425	1.3
343.22699	1.4
347.27039	1.7
361.23819	0.9
379.26132	1.2
389.31985	6.1
393.27570	1.7
435.27249	35.2
435.32559	44.0
436.27585	2.1
436.32867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01863	2.0
55.05513	19.1
55.24727	1.2
57.03429	3.4
57.07067	2.4
59.04992	2.8
62.40687	1.3
65.03934	2.0
67.05504	100.0
69.07065	15.4
69.21938	2.0
69.22342	11.3
71.04987	4.3
75.70335	1.2
79.05491	39.4
81.03407	4.8
81.07053	50.6
81.07539	2.5
83.04980	7.8
83.08614	10.7
85.02899	1.3
85.06541	4.2
91.05474	45.0
93.07040	44.5
95.04963	12.1
95.08603	44.1
97.06548	2.5
97.10176	2.7
98.20801	2.5
98.42537	1.3
103.05472	1.3
105.06310	2.4
105.07027	48.8
107.04942	4.9
107.08587	43.2
107.09305	2.2
109.06514	5.4
109.10152	64.4
110.10516	1.8
111.08073	4.0
117.07013	8.4
119.08574	55.8
119.97743	1.2
121.06548	1.8
121.10130	18.8
121.38593	1.2
123.08053	3.4
123.11705	6.1
125.09667	1.9
127.07578	1.3
128.06221	2.3
129.06993	12.3
130.07872	1.9
131.08580	14.9
133.06415	1.7
133.10130	37.4
135.08069	1.5
135.11694	8.9
137.09615	3.3
137.13240	1.9
141.06943	1.4
142.07735	3.0
143.08559	15.0
144.09341	2.6
145.10115	38.5
147.08000	2.3
147.11687	33.8
149.09601	1.3
149.13257	5.2
151.11131	1.4
153.09053	1.8
155.08533	4.2
155.10623	2.4
156.09354	5.5
157.10117	18.0
158.10880	2.2
159.11682	40.5
160.12012	1.4
161.09608	2.8
161.13254	18.2
163.14839	6.6
169.10110	4.9
170.10889	2.9
171.11691	27.5
172.12509	2.6
173.11746	12.3
173.13272	20.5
175.14807	22.0
177.16415	8.2
179.14174	1.5
181.05090	1.5
181.10077	1.6
183.11646	6.4
184.12460	3.8
185.13313	8.6
186.13901	1.7
187.14815	20.7
189.12694	6.8
189.16391	24.1
191.14317	2.5
191.17999	1.8
195.11646	2.7
197.13280	5.5
198.14001	3.1
199.14789	25.4
201.16368	46.1
203.14371	1.3
203.17950	9.1
207.13747	14.9
209.13211	2.2
211.14865	3.9
213.16373	31.1
214.16835	1.5
215.17944	14.2
217.15974	1.4
217.19606	2.1
223.14751	1.9
225.16431	3.8
227.17961	7.0
229.19441	3.2
231.17531	1.5
233.18915	2.1
235.14854	1.8
237.16385	2.3
239.18002	3.4
241.19562	3.9
251.17888	1.9
253.19519	3.1
259.16934	2.8
265.19540	5.4
267.21115	3.3
271.16867	1.5
279.21094	3.7
281.17612	1.6
281.22733	2.3
293.22638	2.7
299.19986	1.6
303.01501	2.2
311.19949	1.3
319.24390	1.6
325.21909	1.8
327.23166	2.4
333.25800	2.0
341.24658	2.1
365.24701	2.5
389.27505	2.4
389.32004	17.1
399.28802	1.8
407.33063	7.8
417.26331	2.0
417.31363	2.9
435.27258	41.6
435.32590	86.5
436.27618	2.7
436.32944	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03938	4.0
54.05261	1.1
55.01870	1.7
55.05507	16.9
57.03433	4.4
57.07069	1.7
59.05001	3.4
60.04160	1.0
61.00029	0.9
63.41671	0.9
65.03937	2.9
67.05501	100.0
69.03432	1.7
69.07059	14.8
69.55196	7.2
71.04977	3.2
73.06570	1.3
79.05489	38.4
80.05840	1.1
81.03411	7.2
81.07050	39.9
83.04987	7.5
83.08619	8.1
85.06544	3.2
89.05314	0.9
91.05475	33.5
93.07038	32.5
95.04957	13.6
95.08604	20.1
97.02854	1.0
97.06527	3.9
97.10163	4.7
99.08024	1.1
103.05446	1.2
105.07023	25.2
105.07706	1.9
106.57188	0.9
107.04935	3.8
107.08590	18.1
109.06521	5.0
109.10150	53.2
110.10500	1.4
111.08089	3.3
115.05420	1.3
117.06989	5.8
119.08581	26.3
121.06499	2.7
121.10129	8.8
123.08087	4.0
123.11686	1.2
125.09682	1.3
128.06165	1.9
129.07004	8.3
131.08582	8.3
133.06639	1.2
133.10130	13.1
135.11684	8.1
137.09596	3.0
142.07758	1.3
143.08528	8.2
144.09340	1.1
145.10127	12.4
147.08055	2.2
147.11681	19.8
149.13235	1.3
155.08530	1.6
155.10663	3.1
156.09303	1.5
157.10106	6.3
158.10820	1.0
159.11647	8.8
161.09659	3.3
161.13245	7.8
163.11192	1.5
169.10080	2.7
171.11688	17.1
173.11729	12.2
173.13277	3.8
175.14799	9.2
177.12785	1.0
177.16409	2.1
181.05016	1.1
183.11694	2.0
184.12421	1.0
185.13321	1.8
187.14819	4.4
189.12749	4.6
189.16397	3.2
197.13203	1.2
199.14784	3.3
201.16371	6.1
207.13811	14.3
209.13304	1.8
211.14868	2.1
213.16327	7.5
215.17903	3.3
225.16486	1.5
227.18005	1.2
237.16470	1.9
241.19356	1.9
303.01373	1.5
303.04922	1.2
321.25696	1.3
325.21616	1.5
333.25641	1.1
343.22714	5.5
351.23151	1.6
366.25537	1.4
367.26230	1.1
379.26056	2.6
389.32034	4.2
417.26389	3.3
432.66000	1.1
435.27301	42.0
435.32629	40.2
436.27802	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1649
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
53.03947	0.2
55.05516	0.5
55.30294	0.2
58.84116	0.2
62.14856	0.2
64.49369	0.2
65.03934	1.8
67.05502	0.8
68.99791	1.9
69.03419	0.5
69.07069	0.5
70.15484	1.0
77.03918	0.4
77.92522	0.2
79.05486	1.9
81.03416	0.3
81.07052	1.1
81.66563	0.2
82.12102	0.2
83.04979	0.2
85.02904	0.7
90.81111	0.2
91.05474	70.6
92.05798	1.3
93.07050	0.8
95.04962	1.0
95.08601	1.5
98.20859	0.3
103.05460	1.4
105.07024	80.8
106.07352	1.8
107.04955	0.5
107.08608	1.3
109.06469	0.3
109.10146	0.7
111.00792	0.4
111.04408	0.3
115.05447	13.9
117.07023	3.2
119.04981	0.2
119.08566	1.1
121.06512	0.3
121.10111	0.6
123.04440	0.9
125.02309	0.3
127.03945	0.4
128.06180	0.4
129.06978	2.3
131.04890	0.5
131.08582	0.8
133.06483	16.3
133.10112	1.2
134.06830	0.4
137.05954	0.9
139.03897	8.1
141.05455	5.4
143.08589	0.7
145.10121	1.3
146.09625	0.3
147.11694	0.6
149.06000	0.4
149.13316	0.3
151.03925	0.4
152.06206	1.1
153.05463	7.2
153.06961	1.3
155.08556	3.1
157.06480	3.1
157.10147	0.6
159.11719	1.3
160.07671	0.3
161.13248	0.6
162.03140	0.9
163.03941	0.6
165.05455	1.0
165.06996	0.8
166.07733	0.6
167.03386	1.2
167.07187	0.4
167.08554	6.4
169.04950	3.3
169.10049	0.4
171.11681	1.0
173.13283	0.8
175.11285	0.3
175.14859	0.6
177.05466	13.2
177.06863	0.7
178.05980	0.3
178.07727	0.3
181.05008	0.5
181.06467	0.5
181.10074	0.3
185.09630	0.9
185.13254	0.3
187.11221	0.4
187.14844	0.9
189.16368	0.6
194.07352	0.7
195.06386	0.5
195.08051	4.7
196.08524	0.3
199.11307	0.2
199.14781	0.8
201.16315	1.5
203.17809	0.3
209.09628	0.7
212.08327	0.5
213.09090	1.3
213.16388	0.8
215.17984	0.4
223.07515	5.6
224.08200	0.7
227.10622	2.2
233.08086	0.4
237.09084	1.1
239.07010	0.7
240.07722	1.6
255.10146	32.1
256.10648	1.4
273.11191	100.0
274.11557	4.5
339.12518	0.3
389.32101	0.6
407.92548	0.3
435.32745	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.165
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03941	1.5
55.01866	1.6
55.05492	2.6
59.04988	1.2
65.03934	6.8
67.05501	4.0
69.03426	4.5
69.07053	1.3
69.23708	2.8
69.24137	5.2
71.04972	0.8
78.04698	1.0
79.05484	8.2
81.03407	3.9
81.07033	1.9
82.04182	2.1
83.04987	0.7
85.02922	4.7
91.05456	5.3
93.03373	2.1
93.07041	2.1
95.04981	4.8
95.08607	1.7
97.02879	1.3
97.06509	2.1
98.21542	1.5
100.11241	3.4
103.05459	2.2
105.03397	0.9
105.07008	2.5
106.04161	2.4
107.04955	16.9
107.08561	0.9
108.02037	1.4
109.02895	1.0
109.10123	1.4
110.03638	2.8
111.04456	2.8
111.08056	0.9
115.05426	3.8
116.55805	0.7
117.07018	4.5
119.04932	0.8
119.08546	2.2
121.02910	0.9
121.06509	2.1
123.04445	5.5
123.08057	3.5
124.05177	3.3
125.02356	0.8
125.05959	4.3
125.61037	0.8
127.03911	5.1
128.06242	1.0
128.07138	0.9
129.07021	2.9
131.04904	2.6
131.08595	2.5
133.01515	0.8
133.06470	2.6
135.04456	1.0
135.11690	0.9
137.05951	2.4
137.09581	1.8
138.03082	2.5
141.06998	2.2
142.02606	2.9
143.04910	1.5
144.05750	4.0
145.06474	7.8
147.04385	2.9
147.08006	1.8
149.05937	3.2
152.04677	1.9
153.01828	1.0
153.05441	2.9
153.12682	1.2
155.05989	1.7
155.07054	1.2
156.05518	1.0
157.06480	3.2
159.04439	1.3
159.08029	3.4
161.05980	5.6
163.03853	1.3
165.05438	0.9
166.02629	0.9
167.07039	49.5
168.07338	1.3
171.06563	3.9
172.05177	8.2
173.05989	6.0
174.06744	0.8
175.03793	1.0
175.07539	2.5
177.05510	2.0
179.08551	1.5
181.04941	100.0
181.08423	2.1
182.05283	2.4
182.15392	2.2
187.07547	9.4
189.05447	1.7
190.06232	1.4
191.03406	1.0
191.06885	1.4
191.10677	2.6
193.08366	0.8
195.06482	2.6
200.04669	3.9
201.05452	7.6
202.06285	1.0
203.06921	1.3
205.08554	5.5
206.05719	2.9
207.08080	1.9
207.10045	1.5
209.08081	5.3
210.14851	1.9
217.08620	1.6
218.05713	6.0
219.06441	1.8
219.10088	6.1
221.08037	6.6
225.07616	1.1
233.08066	63.4
234.08443	2.1
235.07538	4.0
235.09673	2.3
236.08516	0.8
245.08109	3.5
251.06912	0.9
251.09029	3.8
253.08565	1.5
263.06680	0.9
263.09161	11.8
264.07730	1.3
279.29868	0.8
295.09601	1.1
303.04849	5.1
307.09656	1.7
308.06879	1.0
313.07126	1.0
319.02737	1.2
323.09097	1.3
325.10413	1.0
327.12628	1.2
339.12146	1.0
347.02213	0.8
355.11673	3.3
357.13263	0.8
367.11725	3.1
368.12631	0.9
369.13538	1.1
371.14966	1.6
372.11566	1.1
381.13110	1.8
387.14401	8.3
399.14236	4.8
417.15436	26.6
418.15948	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01855	2.1
55.05510	2.5
59.04998	1.2
65.03937	8.1
67.05498	3.8
68.99773	0.6
69.03428	4.4
69.07066	1.0
69.09283	0.5
71.52170	0.5
73.02908	0.5
78.04695	0.6
79.05029	0.5
79.05486	9.6
81.03424	4.1
81.07058	2.8
82.04194	3.0
82.06553	0.9
83.04971	0.9
83.08620	1.4
85.02893	5.1
91.05478	5.1
93.03403	2.2
93.07031	1.9
95.04945	4.9
95.08597	2.3
97.02876	0.7
97.06527	3.4
100.11256	6.3
103.05450	2.0
105.03350	0.6
105.04465	0.8
105.07008	2.3
106.04169	2.3
107.04945	16.0
108.02103	1.7
109.02866	1.7
109.06506	1.3
109.10129	1.9
110.03671	3.2
111.04435	4.3
111.08044	0.5
115.05450	4.0
116.06232	1.0
117.06998	5.4
119.04902	1.3
119.08568	2.1
120.02079	0.7
121.02847	0.6
121.06499	3.0
121.10116	1.2
122.03646	0.6
123.00814	0.6
123.04428	7.8
123.08040	3.8
124.05235	3.4
125.05987	4.3
127.03925	3.9
128.06189	1.2
128.07025	1.0
129.07018	2.7
131.04913	2.7
131.08510	2.8
132.05667	0.6
133.02834	0.5
133.06503	3.2
133.07410	0.8
133.10062	0.7
134.03639	0.8
135.04405	1.4
135.08122	0.6
135.11673	0.7
137.02354	1.2
137.05966	2.1
137.09615	1.6
138.03162	2.7
139.03847	0.6
139.07605	0.6
141.06952	2.2
141.09142	0.4
141.11449	1.2
142.02597	2.3
143.04933	0.7
144.05746	3.5
144.13673	0.6
145.06487	8.2
145.10132	0.8
147.04375	1.7
147.08037	1.7
147.11729	0.7
149.05995	3.2
151.07553	0.9
152.04642	2.1
153.01773	0.7
153.05466	1.7
153.09164	0.7
153.12627	0.6
155.04903	1.1
155.05957	1.2
155.07022	1.6
156.05711	0.9
157.06500	3.0
158.03612	0.6
159.04379	0.5
159.08060	4.7
159.11656	0.6
161.05988	5.7
163.03911	1.5
163.07500	0.7
165.09103	1.2
166.02531	1.1
167.07031	47.3
171.06538	5.2
172.05191	9.9
173.05977	6.3
175.07530	1.8
177.05443	3.1
177.09103	1.0
178.07671	0.7
179.07132	1.1
179.08571	1.9
181.04945	100.0
181.08488	2.2
182.05304	1.7
182.15425	3.8
183.06528	0.6
183.10085	0.6
184.28084	0.5
185.05930	0.9
187.07552	8.4
189.05461	3.4
189.06976	1.1
190.06195	2.5
191.07039	2.1
191.10721	2.5
191.12157	0.5
193.04955	0.9
193.08543	0.6
195.06558	2.5
195.08069	0.8
200.04692	4.9
201.05475	6.4
202.06023	0.6
203.03336	0.6
203.07097	1.7
205.08585	4.7
206.05736	2.2
207.06430	1.2
207.08076	2.6
207.09973	0.9
209.08081	4.4
209.16602	0.5
210.14853	3.9
213.05524	0.7
215.07005	1.6
217.08588	1.8
218.05705	7.4
218.09032	0.6
219.06380	1.1
219.08180	1.2
219.10059	5.6
220.23241	0.5
221.05957	1.0
221.08015	7.6
227.17468	0.9
228.16039	0.8
231.06419	1.0
232.06802	0.6
233.08067	55.0
234.08444	1.9
235.07494	4.3
235.09689	1.8
245.08124	2.6
247.07535	1.2
249.05452	0.6
251.09079	3.1
253.08508	0.9
262.06137	0.6
263.06689	1.0
263.09158	12.1
264.07782	0.6
265.08652	0.6
268.21429	1.5
273.07446	1.0
275.06824	0.7
278.09390	0.6
279.10095	1.2
280.07251	0.7
281.07733	0.7
291.06442	0.8
292.07394	0.7
293.07956	0.7
294.08725	0.6
295.09732	1.1
297.07397	0.7
303.01605	1.0
303.04941	5.0
307.09601	1.8
308.06604	0.7
313.06940	1.2
323.08807	1.1
324.09845	1.0
325.07083	0.8
327.12137	0.6
331.08322	0.8
332.24756	0.7
335.09009	0.7
336.22842	0.6
337.10666	0.6
339.12256	1.6
344.12546	1.1
353.75897	1.0
355.11670	3.7
356.12259	0.9
357.13153	0.9
359.14575	0.6
367.11740	2.9
368.12219	0.9
371.14990	1.2
372.11880	1.0
381.13239	2.0
384.12167	1.2
387.14389	10.3
399.14310	5.8
405.15558	0.9
417.15414	28.2
417.29779	0.8
418.15768	1.3
435.27286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	2.1
55.05513	14.4
57.07070	1.4
58.56680	0.8
65.03937	7.0
67.05492	3.6
69.03436	6.6
69.07058	1.7
69.62703	1.9
69.63121	4.2
70.06578	2.1
77.03973	1.0
78.04679	0.8
79.05496	7.5
81.03431	5.0
81.07041	2.5
82.00569	0.8
82.04191	2.9
82.06583	4.3
83.04962	2.1
83.08623	12.6
84.08155	1.0
85.02905	6.6
85.06501	1.3
87.31223	0.8
91.05471	3.9
93.03413	1.9
93.07026	2.4
94.04220	1.0
95.04951	3.9
97.02892	1.2
97.06528	3.1
98.09715	1.0
100.07607	5.1
100.11257	36.5
103.05463	1.7
105.07031	2.5
107.04962	15.2
107.08555	1.6
108.02088	1.4
109.02892	1.2
109.06567	1.3
109.10136	1.0
110.03654	3.1
110.06058	3.3
111.04443	9.6
111.08092	1.4
112.07591	1.3
115.05458	5.2
116.06251	0.9
117.07025	5.3
119.04990	1.1
119.08572	1.4
121.02827	1.5
121.06480	2.2
121.10162	0.9
123.04436	7.4
124.05188	3.0
125.05992	3.5
126.09163	2.5
127.03915	4.9
127.08668	2.4
128.06242	1.3
128.07092	2.9
129.07005	2.5
131.04927	2.4
131.08542	2.2
133.06491	2.6
135.04376	1.3
137.02362	1.2
137.05975	3.3
138.03107	2.5
139.03917	1.7
139.08632	5.2
141.07007	1.7
142.02592	2.1
143.04871	0.9
144.05684	3.8
145.06464	9.4
147.04407	3.5
147.08073	1.7
152.04680	2.0
153.05464	2.6
155.06033	1.3
157.06497	3.8
159.08046	4.0
161.06007	5.7
163.03896	1.1
165.05487	1.5
166.02547	1.1
167.07040	49.2
171.06548	4.9
172.05180	20.5
173.05998	6.5
175.07545	2.6
177.09261	1.1
181.04956	95.7
182.05312	3.0
182.15405	22.0
182.17017	1.1
185.06006	1.5
187.07489	7.7
189.05495	3.9
190.06194	1.4
191.06966	1.1
191.10693	1.6
192.13829	1.1
193.04932	1.2
195.06522	2.5
197.12888	3.0
200.04723	7.3
201.05479	6.0
203.03320	1.3
205.08630	4.4
206.05780	2.9
207.10071	1.8
209.16499	21.2
210.14903	25.8
217.08614	2.5
218.05737	11.2
219.06427	2.0
219.08315	1.4
219.10219	3.8
221.08051	7.6
226.19113	12.0
228.15927	2.5
231.06502	1.8
233.08086	100.0
234.08528	2.2
235.07416	1.4
235.09630	2.2
245.08116	3.2
247.07509	1.0
251.09175	3.1
263.06711	1.2
263.09186	17.2
266.78653	0.8
269.08145	1.0
291.06732	1.1
292.07349	1.3
295.09744	1.3
303.01505	1.8
303.05090	3.4
307.09567	1.4
309.07413	1.3
325.07379	1.0
327.12393	1.0
329.10248	1.1
331.07895	1.0
335.24384	1.8
336.22794	15.4
337.10715	0.9
339.12381	1.6
343.11707	1.3
346.10388	1.4
351.09119	1.0
355.11813	3.4
367.11707	4.3
371.15121	2.2
381.13336	2.0
387.14423	7.9
399.14261	4.4
417.15427	25.8
417.32214	2.9
418.15750	1.5
435.33319	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	435.165
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
51.02368	0.4
55.05500	0.5
59.00041	0.3
65.03951	1.8
67.05495	1.1
68.99791	1.4
69.03410	0.4
69.07045	0.6
69.86934	1.6
79.05488	2.4
81.03415	0.4
81.07053	1.6
85.02901	0.9
88.84961	0.3
91.05478	67.7
92.05804	1.1
93.07028	1.4
95.04954	1.1
95.08594	1.0
99.05717	0.3
103.03664	0.4
103.05428	1.7
105.07027	71.7
106.04223	0.4
106.07356	1.7
107.04993	0.5
107.08570	0.9
109.10151	0.7
111.04440	0.4
115.05448	13.7
117.07011	2.6
119.08578	0.7
121.06503	0.5
121.10104	0.4
123.04418	0.5
128.06207	0.4
129.07008	2.3
130.07550	0.3
131.08562	0.8
133.05481	0.7
133.06483	13.3
133.10115	0.7
135.11658	0.4
137.05969	0.7
139.03900	6.6
141.05441	4.3
143.08655	0.4
145.10123	0.7
146.09622	0.4
147.11723	0.5
149.05901	0.4
151.07504	0.4
152.06169	0.6
153.05458	6.9
153.06950	1.3
154.05809	0.4
154.07805	0.4
155.08540	3.1
157.06519	3.2
157.10065	0.7
159.11763	0.3
162.03067	0.7
163.03874	0.4
165.05452	1.0
165.06949	0.9
166.07736	0.5
167.03407	0.6
167.07227	0.5
167.08554	5.0
169.05005	3.6
171.11673	0.6
177.05466	11.5
181.04974	0.7
181.06418	0.4
183.11584	0.4
185.09566	0.8
187.14667	0.4
194.07263	0.3
195.06482	0.3
195.08072	4.6
199.11246	0.4
199.14861	1.1
201.16402	0.5
213.09129	1.0
223.07516	5.5
224.08096	0.6
227.10567	1.6
231.10078	0.5
237.09120	0.8
239.06955	0.7
240.07788	1.2
255.10156	27.9
256.10446	1.3
273.11206	100.0
274.11591	3.9
303.01389	0.5
343.22604	0.8
417.26578	0.8
435.27371	1.1
435.32581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
55.01867	5.4
55.05494	3.8
61.44308	1.8
65.03927	10.7
67.05496	8.1
69.03414	6.8
69.07063	5.4
71.52515	3.4
75.04475	5.0
76.07517	2.1
76.61144	1.9
77.03915	2.7
78.04676	3.1
79.05498	9.8
81.03421	5.7
81.07042	8.9
83.04971	2.7
83.08595	2.6
85.02896	9.4
91.05477	25.6
93.03407	22.6
93.07037	14.9
93.41824	2.2
95.04969	17.1
95.08593	7.7
97.06506	9.6
103.05452	9.2
105.07021	8.6
106.04167	46.5
107.04966	14.2
107.08577	7.4
109.02873	2.7
109.06538	5.2
109.10160	5.8
110.03633	4.5
112.84871	2.0
115.05446	4.1
117.07051	5.2
119.04918	5.4
119.08583	4.9
121.02852	5.0
121.06500	47.7
121.10104	6.2
123.04432	10.1
123.08047	2.7
124.05174	3.0
125.05981	15.5
125.09664	2.5
127.03853	3.7
129.06979	2.3
131.04904	2.9
131.08528	4.0
133.06459	2.2
133.10112	3.7
134.03636	6.3
135.04391	3.0
135.07983	2.9
137.02299	2.7
137.05946	10.5
139.03909	4.0
139.07526	5.6
145.02803	2.3
145.06474	6.2
145.10182	3.7
147.04361	4.6
147.11649	2.1
148.05147	4.3
149.05983	69.4
149.13203	2.8
151.03917	3.0
151.07556	4.7
153.05457	5.9
153.09111	17.7
157.22250	2.2
159.08119	3.2
159.11617	4.1
161.05933	5.7
163.07541	4.5
165.05444	6.8
167.07043	28.1
171.06587	2.5
172.05267	3.6
173.05942	3.5
177.05466	39.4
180.07846	4.3
181.03406	4.4
181.04958	65.5
181.08571	41.5
181.10117	1.8
182.05298	2.3
185.13338	2.3
187.07536	4.6
187.14777	2.8
191.06969	3.4
193.04895	2.8
197.66360	2.5
199.14668	2.6
200.04730	2.5
201.05450	2.5
201.16266	3.3
205.08650	3.6
207.06538	4.9
208.07291	6.6
209.08087	100.0
218.05687	3.6
219.10101	2.6
221.08058	4.2
225.07573	5.6
226.08330	2.7
232.05829	2.3
233.08052	26.7
263.09106	5.9
271.06113	2.9
273.07437	2.7
303.04922	8.0
329.01627	2.1
331.66373	2.1
367.11621	2.4
387.14124	3.2
399.14746	2.4
405.14807	4.7
417.15408	12.7
418.15817	3.1
435.18295	3.8
435.32425	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03942	1.9
53.36177	1.1
55.01872	1.7
65.03944	5.9
67.05518	2.2
69.03419	3.5
69.20960	5.3
69.21393	5.8
69.46558	1.0
79.05485	7.5
81.03410	4.0
82.04192	1.6
85.02896	6.4
91.05476	3.8
93.03361	1.6
95.04923	3.4
97.02835	1.0
97.06501	2.2
103.05436	1.5
105.07049	1.4
107.04955	15.0
110.03680	2.2
111.04432	1.5
115.05488	2.6
117.06991	4.2
123.04415	6.3
124.05186	2.2
125.05994	2.5
126.30225	1.0
127.03930	2.7
128.06178	1.4
129.06982	2.4
131.04919	1.8
131.08531	2.4
133.06523	2.3
133.56613	1.1
137.05998	1.5
138.03104	1.9
141.06952	2.0
142.02620	2.2
144.05670	4.1
145.06454	7.5
147.04414	1.6
147.08000	2.1
148.23297	1.0
149.06082	1.2
152.04668	2.0
153.05461	2.9
155.06006	1.9
157.06473	1.9
159.08020	3.1
161.05983	9.9
167.07027	41.3
171.06554	6.5
172.05188	8.5
173.05951	4.8
175.07512	3.3
177.05394	1.0
177.09114	1.6
181.04948	100.0
182.05264	2.5
185.06091	1.3
187.07538	7.3
189.05460	2.9
189.09091	2.9
190.06171	1.3
195.06561	2.2
200.04678	4.1
201.05394	6.2
203.06873	1.1
205.08557	3.6
206.05559	1.5
207.10136	4.5
213.05437	1.3
217.08600	1.2
218.05627	5.2
219.10175	3.7
221.08101	3.8
233.08070	57.0
234.08440	1.9
235.07492	1.1
235.09656	1.7
245.08089	2.3
251.09236	2.1
263.09204	11.4
264.16190	1.2
279.10278	1.8
280.07324	1.4
292.07031	1.2
295.09689	1.1
303.01440	1.3
307.09619	1.4
323.08841	1.4
355.11783	2.5
367.11481	2.5
371.19681	1.2
375.40369	1.1
387.14383	7.9
399.14352	4.8
417.10226	1.4
417.15430	23.5
418.16113	1.1
443.60492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01868	0.9
55.05487	0.6
57.03424	1.0
59.04990	1.0
61.02904	0.8
65.03925	0.8
67.01841	0.8
67.05484	1.2
68.99786	1.1
69.03419	1.8
69.39532	5.3
73.02903	1.6
79.05484	2.0
81.03409	0.9
81.07056	1.3
85.02907	3.4
85.06533	0.8
91.05483	3.7
93.03460	0.7
95.04950	2.0
95.08630	0.8
97.02879	1.2
97.06511	0.9
99.26206	0.6
105.07038	1.2
107.04944	2.9
109.02849	1.5
109.10143	1.3
110.03626	0.6
111.00830	0.8
111.04446	0.9
119.04932	10.0
119.08604	1.1
121.02863	1.3
121.06510	1.9
121.10154	0.8
123.04427	5.1
123.08048	1.8
123.08902	0.7
127.03899	0.7
129.01768	0.7
131.04916	0.8
135.04419	0.9
137.02338	1.4
137.05974	1.0
137.09552	0.7
139.03847	0.6
141.06880	0.6
142.23903	0.6
145.06531	1.3
145.10075	0.6
147.04405	33.2
148.04886	0.5
151.03998	1.0
153.01828	60.8
154.02136	0.8
161.05992	1.0
163.03883	1.0
165.01826	1.8
165.09132	0.9
167.07085	3.8
171.02849	2.7
179.03398	1.0
181.04945	13.1
181.06499	0.9
183.02927	0.9
183.10225	1.1
189.05397	1.0
191.03354	0.7
195.02898	1.8
201.05417	1.3
205.08691	0.7
219.02910	0.9
219.10246	0.6
229.04860	1.3
231.02911	1.1
231.06555	1.3
233.08040	4.7
261.04114	0.8
263.09189	0.9
273.07568	100.0
274.07831	1.8
285.07437	0.8
297.07318	0.8
303.01648	1.0
303.04956	24.3
304.05371	0.8
315.08652	0.7
325.07254	0.7
387.14526	1.0
417.15347	1.9
435.12930	8.3
435.21982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01851	2.7
57.03440	3.5
61.02898	1.0
65.44579	0.8
68.99794	0.9
69.03416	2.1
71.01344	1.7
71.42533	0.8
73.02901	2.1
73.05287	0.7
73.38486	0.6
85.02876	2.1
88.45934	0.6
89.29122	0.7
109.02848	0.7
111.00758	1.1
113.52672	0.7
113.53475	0.7
121.02900	0.8
133.04948	2.0
137.02332	5.6
153.01845	5.9
161.05885	0.7
163.03905	0.7
165.01826	2.1
177.05630	0.7
183.02859	1.0
183.04396	0.8
201.05478	3.2
206.13928	0.9
229.04958	8.1
245.94766	0.7
247.06126	1.1
257.04370	4.3
274.04700	1.4
285.03937	1.4
303.04984	100.0
304.05322	3.6
317.08282	0.8
369.05786	0.8
399.07227	1.5
436.09317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03160	0.5
57.03433	6.8
61.02934	1.8
68.99777	0.9
69.03418	0.5
70.06561	1.7
71.01353	0.3
73.02920	14.4
81.14514	0.4
85.02872	0.6
95.04942	0.5
107.39125	0.3
111.00791	1.3
115.03909	0.7
121.02877	1.6
123.04403	0.6
131.04953	0.4
137.02351	4.9
149.02371	0.7
153.01805	4.7
155.04805	0.3
161.05998	0.4
163.03931	0.8
165.01852	2.6
167.07068	0.3
173.05951	0.9
175.69675	0.3
177.87697	0.3
181.04950	0.5
183.02943	0.9
195.02930	0.4
201.05487	2.9
207.03131	0.3
226.26057	0.3
228.03871	0.4
229.04955	5.2
243.02585	0.3
247.06007	0.7
257.04446	3.6
258.04764	0.5
274.04587	0.5
285.03903	1.2
303.04987	100.0
304.05304	4.6
340.64578	0.3
369.50232	0.3
384.14734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0558
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
55.01859	0.2
57.03193	0.2
57.03438	2.1
61.02906	0.4
65.03900	0.2
69.03431	2.2
70.15545	0.5
71.01360	0.2
73.02513	0.2
73.02917	4.0
73.88934	0.1
79.05491	0.2
81.07047	0.3
83.05000	0.2
85.02894	0.5
86.09692	0.1
91.05470	0.3
93.07034	0.2
97.02898	2.1
102.59232	0.1
105.07039	1.1
106.07337	0.3
107.04963	0.2
115.03931	1.9
121.02862	1.3
121.10161	0.3
123.04434	0.3
127.03914	0.2
133.04938	0.2
135.04401	0.3
139.11203	0.2
145.02875	0.4
147.04396	0.7
151.04015	0.2
153.01819	0.7
157.02872	0.3
163.03883	0.5
167.06978	0.2
167.10632	0.2
173.02409	0.8
175.03902	0.6
181.05008	0.2
185.02309	0.3
191.03439	0.7
201.01826	3.3
203.03354	1.0
207.02913	0.2
213.01831	0.5
217.01309	0.4
219.00964	0.1
219.02847	0.9
229.01314	3.2
231.02905	1.3
241.01273	0.8
247.02397	3.7
257.00806	11.1
258.01260	0.3
259.02429	1.2
275.01855	9.8
276.02081	0.2
285.00293	9.0
286.00797	0.4
303.01337	100.0
304.01657	2.5
321.02213	0.2
344.04050	0.2
403.10040	0.2
435.05661	0.9
435.11380	0.2
435.17734	0.2
439.18701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05965	3.1
52.82636	3.5
53.03952	4.0
54.04833	2.8
55.05507	8.7
56.48987	2.9
67.05499	14.3
69.03426	8.0
69.07062	14.5
70.96489	6.6
71.04990	6.9
79.05499	16.6
81.07050	47.4
83.04957	4.8
83.08622	8.8
85.02877	7.0
85.06550	7.5
89.39243	3.8
91.05480	22.4
93.07037	24.4
95.04991	4.1
95.08604	41.8
97.06503	5.8
97.10154	5.4
99.04452	51.0
105.07024	23.8
107.04958	5.6
107.08595	31.6
109.02850	3.4
109.06511	6.0
109.10138	35.8
111.08085	7.1
117.05471	8.8
117.06972	7.2
119.08575	25.8
121.06502	7.3
121.10149	46.4
123.04481	5.3
123.08059	6.7
123.11702	30.0
125.09634	5.6
127.03881	5.7
127.07555	5.0
127.11202	4.5
131.04912	7.3
131.08574	13.0
133.10091	16.1
135.08066	5.7
135.11678	12.7
137.05954	6.8
137.13261	3.9
145.10098	15.6
147.04416	4.0
147.08023	8.2
147.11713	6.0
149.05974	4.5
149.13283	5.1
151.11224	4.1
153.09070	4.5
155.08479	3.4
157.10138	7.1
159.11681	21.1
160.12015	3.2
161.09583	6.0
161.13272	13.0
163.07549	3.8
165.12663	3.5
167.07047	10.7
170.10561	3.2
171.11595	4.2
173.13228	6.4
175.14839	12.6
177.16382	41.6
179.14276	6.8
181.04955	18.4
181.12225	11.5
183.11612	4.3
199.40666	3.4
200.15134	3.2
201.12695	12.5
201.16356	28.6
201.94569	3.1
219.17430	37.1
233.08063	8.3
237.18472	100.0
238.18773	5.4
255.19626	20.2
255.21721	3.5
303.04947	4.4
335.16388	6.3
353.17554	6.8
358.13156	3.7
399.18228	3.6
417.15192	4.3
434.31372	16.4
435.32535	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	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.9
55.05492	12.7
65.03930	14.8
67.05515	19.0
69.03417	17.5
69.33054	100.0
71.04977	32.3
79.05486	19.0
81.07053	48.6
83.08604	13.6
85.02893	16.0
91.05490	26.2
93.07034	29.5
95.08597	36.6
97.06569	12.9
98.20816	24.2
105.07019	52.4
107.04934	18.2
107.08609	32.5
109.10156	25.1
119.08579	18.3
121.06455	12.8
121.10190	11.8
123.04449	15.2
125.09613	19.1
131.08585	24.6
133.10135	87.4
143.10661	39.8
145.10141	23.9
147.11708	19.0
149.13315	13.2
167.07007	25.8
167.14241	24.9
171.07942	10.2
181.04976	44.9
201.16553	12.2
219.17439	81.8
233.08054	24.3
237.18481	13.1
241.08638	9.8
272.06253	10.9
303.04977	38.3
307.42841	11.3
417.15250	17.3
435.15256	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01872	9.4
57.03434	18.1
58.52101	0.5
59.04996	2.2
60.04526	0.7
61.02925	9.4
69.03426	25.1
69.80859	2.1
69.81283	1.5
70.06603	0.8
71.01341	3.4
71.04990	1.7
72.04527	1.2
73.02916	21.7
79.05490	0.9
81.03415	5.5
85.02903	100.0
86.03199	0.6
87.04449	4.1
91.03961	4.7
91.05467	1.0
97.02891	36.8
99.04424	3.4
101.02422	1.0
103.03921	2.8
105.07038	14.3
109.02873	8.1
114.05521	1.1
115.03928	15.4
117.07066	0.6
119.08588	1.7
123.04449	0.7
127.03917	26.7
129.06999	0.8
132.06577	2.6
133.04964	19.5
135.06508	0.7
137.06010	0.8
145.04953	48.0
147.08096	1.7
150.07607	3.7
163.06029	24.0
163.07420	1.3
165.09103	0.8
171.08052	0.7
181.04996	0.9
189.09195	0.7
199.06148	1.2
200.43513	0.7
201.01878	1.9
201.09158	2.6
203.03302	0.7
213.01930	0.6
217.07123	0.9
219.10185	1.0
223.06067	1.8
229.01421	2.0
231.02901	1.1
231.10191	1.8
241.07132	1.9
247.02461	2.3
249.11287	0.9
257.00815	7.2
259.02399	1.2
259.08215	2.5
267.12341	0.8
275.01855	6.2
285.00327	6.6
285.13226	3.3
303.01337	65.6
404.14651	0.7
435.05777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03942	0.9
55.01878	2.1
56.86161	0.4
57.03432	3.8
59.05011	0.4
61.02914	1.8
61.05490	0.3
67.05508	0.8
69.03427	4.7
70.06601	0.8
71.01347	1.0
71.05016	0.6
71.50827	0.7
71.87537	0.3
73.02911	4.4
79.05488	3.8
81.03439	0.9
81.07069	0.5
85.02905	13.1
86.59120	0.4
87.04449	0.5
89.06029	0.8
89.89021	0.4
91.03961	0.6
91.05478	1.2
93.07016	0.4
94.06583	0.6
95.04960	1.6
95.08606	0.7
97.02886	7.3
99.04486	0.9
103.03961	1.1
103.05457	3.7
105.07028	100.0
106.07346	1.3
109.02879	1.7
109.10198	0.5
115.03934	3.7
117.07036	1.8
119.04906	0.5
119.08552	0.9
121.02816	0.6
122.05996	0.7
123.04444	1.0
127.03889	3.6
129.07005	1.2
131.08629	1.0
132.06586	0.7
133.04988	3.4
135.04402	0.5
137.06012	0.6
140.07057	0.9
141.06972	1.4
143.08553	0.8
145.04951	4.5
145.06421	2.4
147.04434	1.0
147.08038	1.9
149.05942	0.4
150.07623	1.0
153.01872	0.7
158.08160	1.2
159.08113	0.8
163.03944	0.7
163.05989	2.2
163.07310	0.5
167.07007	0.4
171.08057	1.1
181.04968	0.6
183.08064	0.6
185.54488	0.5
188.03827	1.8
205.08813	0.4
207.06554	1.0
213.09204	0.6
219.10158	0.8
231.10184	0.7
241.07065	1.0
249.11198	0.7
295.10318	0.6
303.01263	0.8
314.07254	0.4
324.73529	0.4
434.10339	0.4
435.18213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74131	0.7
53.03938	1.7
57.03437	1.2
67.05467	1.5
69.03429	9.0
70.48403	1.8
70.48765	2.3
71.04984	1.5
73.02916	2.1
75.04472	0.9
78.03450	9.2
78.78100	1.0
79.39890	0.8
80.05000	2.2
81.03419	13.6
83.04979	0.9
85.02903	8.9
90.28434	0.9
95.04984	0.9
96.04514	4.2
97.02869	3.6
99.04449	2.6
106.02909	40.3
109.02863	5.9
113.05982	1.9
117.63000	0.8
123.04366	1.1
124.03949	100.0
125.04286	1.1
127.03929	5.4
131.07011	3.7
134.05983	1.1
149.08089	2.1
166.05089	1.4
178.02563	1.0
232.06050	1.8
250.07079	11.1
254.10371	1.3
268.08154	60.6
303.00851	1.1
390.48795	0.9
400.41132	1.0
434.16382	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	433.3099
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
55.05500	3.1
57.07084	1.0
62.52119	0.7
67.05502	4.3
69.07067	22.4
69.40399	2.7
69.40828	3.5
76.97447	0.8
79.05500	3.8
81.07055	7.7
83.08610	2.1
91.05460	5.4
92.14861	0.7
93.07040	6.7
95.08600	8.1
97.10160	0.9
105.07030	16.5
107.08605	9.3
109.10152	6.1
117.07014	2.9
117.95583	0.7
119.08570	16.1
120.43380	0.7
121.10142	5.8
123.11740	1.0
128.06209	1.1
129.06993	2.0
131.08553	8.7
133.10136	8.6
135.11699	1.5
141.07054	1.0
142.07759	2.1
143.08569	4.7
144.09413	1.4
145.10126	8.6
147.11716	6.2
149.05859	1.0
149.13292	2.0
155.08572	3.0
156.09390	1.8
157.10133	11.0
158.10883	1.5
159.11693	8.0
161.13243	4.1
165.06929	0.8
167.08609	1.7
169.10109	5.9
170.10875	1.1
171.11671	6.2
173.13290	10.0
175.14824	10.0
177.16432	1.4
179.08647	1.2
179.14337	0.9
180.09404	0.8
181.04970	2.2
181.10144	3.3
182.10892	1.0
183.11655	5.1
184.12370	1.1
185.13266	3.1
187.14812	6.0
189.16327	5.2
193.10100	3.5
194.10910	1.2
195.11682	5.3
196.12483	2.2
197.13266	4.7
199.14798	8.0
201.16434	2.2
205.10101	2.3
206.10991	1.2
207.11711	6.3
209.13255	6.2
211.14885	5.2
212.15572	1.0
213.16351	7.7
215.17924	1.0
217.10066	1.1
218.10916	1.2
219.11710	3.4
219.13683	0.9
220.12399	1.5
221.13266	5.7
222.14162	1.5
222.35292	0.9
223.14789	6.7
225.16380	3.8
227.17888	2.0
231.11673	1.4
232.12473	1.7
233.13156	4.6
234.14095	1.8
235.14873	3.3
237.16406	3.2
239.17950	1.5
241.19600	1.8
245.13260	1.2
247.14766	6.7
248.15674	2.0
249.16364	5.6
251.17972	1.9
259.14899	1.2
261.16406	6.1
262.17130	1.7
263.17902	5.3
264.18600	1.0
265.19629	2.5
271.06046	1.1
273.16486	1.4
275.17862	6.0
277.19516	4.9
279.21051	2.6
281.15152	0.8
283.16852	1.0
288.18765	0.8
289.19479	4.8
290.20215	1.0
291.21140	2.7
293.15460	2.1
295.16916	2.8
301.19705	1.2
303.21030	5.7
304.21814	2.1
305.22748	2.0
306.23126	0.8
307.17029	1.8
309.18307	1.3
315.21243	1.0
316.21906	1.7
317.22620	8.2
318.23499	2.4
319.24197	20.5
320.24463	1.1
321.18704	1.2
323.20059	2.6
323.23669	0.9
329.22501	1.2
331.24136	14.2
332.24887	3.1
333.25848	1.8
335.20245	0.9
337.21533	1.6
344.24710	0.9
345.25699	5.8
349.21518	6.7
349.25189	1.1
351.23224	1.6
363.23163	6.0
364.24008	9.9
365.24786	4.9
373.28870	1.2
375.23398	2.0
377.24713	25.0
378.25140	1.8
387.30457	13.5
388.30554	1.1
389.32031	1.1
390.25516	3.4
391.26199	1.1
403.26483	1.0
433.31018	100.0
434.31406	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	433.3099
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03929	1.8
55.05507	7.1
57.07059	1.5
67.05244	0.7
67.05503	8.2
68.95097	0.7
69.07071	7.6
76.32305	1.0
79.05151	0.7
79.05492	8.4
81.07045	18.0
83.04914	0.9
83.08622	4.2
91.05463	12.1
93.07030	16.9
95.04955	2.6
95.08601	26.2
97.10155	1.9
101.76854	0.8
105.06309	1.7
105.07020	30.9
107.07880	1.8
107.08582	25.6
109.06474	1.0
109.09463	1.3
109.10149	12.4
109.77464	0.9
111.08099	1.0
111.11710	1.0
113.75861	0.9
115.05435	1.6
117.06985	5.8
119.08575	40.3
121.10138	14.0
123.08055	1.0
123.11693	4.0
125.09655	1.0
127.87025	0.8
128.06226	3.5
129.06987	7.7
130.07774	2.8
131.08554	30.8
133.10130	24.5
135.04379	0.9
135.07993	1.8
135.11700	9.7
137.13318	1.3
141.06967	3.8
142.07793	7.4
142.77489	0.8
143.08557	16.8
144.09276	3.4
144.27092	0.9
145.06517	1.4
145.10117	58.5
146.10498	1.1
147.08090	1.2
147.11696	13.9
149.13260	3.3
153.07014	0.9
153.09111	1.5
154.07732	1.2
155.08519	8.9
156.09352	6.4
157.10118	28.4
158.10863	2.5
159.11685	38.3
159.18265	1.0
160.12062	1.2
161.13237	8.7
163.03854	1.1
163.07489	2.1
163.14796	3.2
165.06964	0.9
167.08533	3.0
168.09297	3.5
169.10112	26.3
170.10837	3.7
171.11673	19.5
172.12134	1.1
173.09735	0.9
173.13245	27.1
175.11287	0.9
175.14809	12.3
177.09103	1.7
177.16339	10.1
178.07935	0.8
179.08586	1.9
181.04897	2.4
181.10100	4.9
182.10880	6.2
183.11671	20.5
184.12424	1.8
185.13258	9.7
187.14806	8.4
189.16394	7.7
190.16760	1.0
191.17981	1.6
193.04971	2.2
193.10114	1.9
195.11681	5.9
196.12416	3.5
197.13235	18.1
198.13878	1.3
199.14796	31.8
200.15192	1.3
201.09097	1.9
201.16342	7.9
203.18007	2.7
207.11752	1.6
209.13237	7.0
210.14001	1.0
211.14790	18.7
212.15414	1.5
213.16362	7.9
215.14397	1.0
215.17957	4.2
221.13264	3.3
223.14810	3.3
225.16388	4.2
227.17964	2.3
229.15872	2.0
229.19487	6.8
233.13309	1.6
235.14848	4.6
237.16370	3.3
239.17920	16.5
241.19504	5.4
243.21045	2.4
247.14670	2.1
247.16977	2.3
249.16373	3.2
251.18024	1.6
253.19525	1.6
261.18466	1.4
263.17938	3.0
265.19498	3.2
269.22675	3.0
271.06198	1.4
275.20279	2.0
277.19431	1.2
279.20963	2.4
281.22745	1.3
285.18448	15.2
287.20181	2.1
291.21115	9.4
293.22610	1.1
297.18475	1.4
299.20132	1.6
311.20041	2.1
315.23343	1.4
317.22638	1.3
323.20126	1.0
325.21655	1.8
331.24203	2.0
335.25858	1.1
341.21176	2.5
341.24924	1.2
345.25729	1.6
361.94998	1.0
363.23239	1.9
377.24808	2.8
387.30453	20.4
388.30884	2.1
390.25629	1.1
391.26373	2.4
415.29266	1.3
433.30997	100.0
434.31302	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	433.3098
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
50.91080	0.7
53.20510	0.8
55.05515	3.6
57.07065	1.1
67.05502	5.9
69.07069	21.9
71.51838	1.5
79.05476	3.9
81.07050	10.4
83.08610	3.1
85.06571	0.9
91.05459	6.3
93.07055	6.5
95.08603	9.0
97.10191	1.6
103.05463	1.0
105.07031	15.2
107.08593	8.9
109.06554	0.9
109.10149	5.8
117.07032	3.3
119.08579	16.6
121.10139	6.1
123.11707	2.5
125.09534	0.9
125.51830	0.8
127.43962	0.8
127.44994	0.7
128.06142	1.2
129.06978	2.5
130.07777	1.3
131.04929	1.4
131.08577	9.3
133.10130	6.7
135.11700	2.8
137.09717	0.9
141.07057	1.4
142.07820	1.7
143.08568	6.1
144.09360	1.2
145.10110	9.4
147.11685	6.4
149.05994	1.2
149.13252	1.6
155.08539	3.4
156.09329	2.4
157.10136	8.2
158.10866	1.8
159.11694	8.6
161.13266	4.9
163.07600	0.9
163.11082	0.9
163.14868	1.0
165.06987	1.4
167.08527	1.8
169.10071	4.6
170.10907	0.8
171.11687	7.6
173.13252	10.6
175.14832	10.7
179.08549	2.2
180.09378	0.9
181.04945	16.6
181.10114	4.0
182.10971	1.1
183.11653	5.0
184.12332	0.9
185.09721	1.1
185.13309	2.5
187.14803	5.5
189.16304	4.1
191.10603	0.8
193.10187	2.4
194.10921	1.7
195.11687	6.4
196.12482	1.8
197.13234	5.9
198.13997	1.3
199.14803	7.9
201.16393	2.5
203.18025	1.2
205.10187	1.2
206.10840	1.2
207.11687	6.6
208.12430	1.7
209.13281	6.0
210.13976	1.1
211.14809	5.4
212.15384	1.1
213.16336	8.1
215.17874	1.5
217.10226	0.9
217.12190	1.0
218.10765	0.9
219.11746	4.0
219.13585	0.9
220.12404	1.6
221.13264	6.2
222.13962	1.0
223.14796	5.0
224.15642	0.9
225.16414	3.0
225.75113	0.7
227.10699	1.1
227.17914	1.4
231.11661	0.9
232.12419	1.0
233.13255	4.9
234.14020	1.4
235.14925	4.8
237.16382	3.3
239.17993	2.2
241.19566	1.1
245.13257	1.6
245.15457	1.4
246.13988	1.5
247.14857	6.4
248.15543	1.7
249.16327	5.7
251.18001	2.2
260.15622	0.9
261.16391	5.2
262.17105	1.8
263.17929	5.2
264.18597	1.1
265.19504	2.1
275.17920	5.3
276.18765	0.9
277.16467	1.1
277.19391	4.0
279.21127	2.4
285.11188	5.1
287.17831	1.4
288.18793	1.0
289.19498	3.3
290.20471	1.1
291.20996	4.0
293.15399	2.2
295.16928	1.8
301.19583	2.0
302.20401	1.0
303.20987	5.2
304.21796	2.0
305.22733	2.5
307.16861	1.0
307.20309	1.0
309.18460	1.2
315.21088	1.2
316.21790	1.7
317.22568	8.3
318.23267	2.1
319.24173	23.0
320.24594	1.0
321.18582	1.1
323.20068	2.6
325.21179	0.8
329.22495	1.5
330.23511	0.9
331.24142	15.0
331.27863	1.1
332.24857	2.5
333.25885	2.1
335.19913	1.3
345.25815	6.8
349.21579	6.9
351.23163	1.0
363.23004	6.7
364.24011	7.3
365.24670	5.3
371.85632	0.8
373.28973	1.4
375.23294	1.7
377.24722	21.9
377.29373	1.5
378.25113	1.8
387.30484	13.5
388.30865	1.4
390.25516	3.1
391.26205	1.4
399.29123	0.9
415.30121	1.5
418.28772	1.3
433.31018	100.0
434.31390	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
53.29932	1.3
55.01869	11.1
55.05511	37.6
55.82339	1.3
57.03434	10.3
57.07071	1.9
58.07903	1.1
62.56499	1.3
63.93724	1.2
65.03940	3.1
66.19991	1.4
67.05505	42.5
69.03427	21.7
69.07067	22.1
71.04991	8.0
73.02898	1.7
77.03914	1.4
79.05493	52.6
81.03419	19.5
81.07056	54.3
81.07538	2.9
83.04977	10.2
83.08616	18.7
85.02921	6.9
85.06538	6.6
85.38015	1.3
85.69563	1.2
88.74181	1.3
91.05483	47.7
93.07043	51.9
95.04970	37.0
95.08602	39.9
97.02895	3.8
97.06522	11.8
97.10164	21.3
98.20721	2.9
99.04453	5.3
99.08090	3.5
103.05447	4.8
105.03380	1.6
105.04494	2.4
105.06327	2.3
105.07031	43.6
106.07362	1.9
107.04958	17.1
107.08594	35.7
109.02906	7.1
109.06541	11.7
109.10157	17.9
111.04430	4.7
111.08094	9.8
111.11682	1.3
111.44067	1.3
113.05966	1.5
115.05428	4.6
115.90097	1.2
116.06258	2.2
117.07006	23.4
119.04946	4.1
119.08589	25.6
121.06503	24.4
121.10145	24.3
123.04428	4.5
123.08057	10.8
123.11716	7.8
125.05991	3.4
125.09633	21.3
127.03891	7.9
127.11183	1.5
128.06218	5.9
129.05510	1.8
129.07002	25.7
130.07700	1.1
131.04932	14.7
131.08560	30.3
133.06511	10.0
133.10135	18.4
135.04398	2.8
135.08054	13.5
135.11650	7.0
137.05980	4.4
137.09621	5.2
137.13313	1.9
139.07556	4.1
139.11218	1.6
141.06961	10.1
142.07788	3.7
143.08554	19.1
145.06485	21.6
145.10118	23.2
146.07207	1.5
147.04448	2.3
147.08054	13.0
147.11681	14.8
149.06023	2.0
149.09622	20.2
149.13319	6.1
151.07555	2.1
151.11169	2.9
153.09116	3.4
154.07745	2.7
155.08539	11.2
156.09364	2.0
157.06500	5.5
157.10124	12.1
157.12122	1.3
159.08046	11.2
159.11702	14.0
161.05989	2.4
161.09624	6.4
161.13274	7.9
163.11166	4.8
163.14851	3.4
165.05626	1.5
165.09079	3.5
165.12794	3.4
167.07127	2.2
167.08572	6.3
168.09259	1.3
169.06526	2.8
169.10138	12.2
169.12296	2.6
171.08159	6.1
171.10263	2.7
171.11673	20.9
173.09618	8.0
173.13266	6.4
175.03845	1.5
175.11192	7.5
175.14836	2.8
177.12700	3.0
177.16420	2.3
179.08554	2.6
181.05081	2.0
181.10109	6.1
183.08041	3.1
183.11662	7.4
185.09630	5.6
185.13269	5.4
187.11174	10.4
187.14761	2.9
189.09167	3.7
189.11195	10.5
189.12769	15.6
189.16344	1.8
191.14311	3.2
193.10208	2.5
193.12228	6.6
195.11745	4.6
197.09619	5.5
197.13251	4.1
199.11168	6.4
199.14815	3.8
201.12784	4.5
203.10747	3.2
203.14299	2.1
205.10423	1.8
205.12277	7.6
207.11763	2.8
207.13670	2.4
209.13242	3.7
211.11186	7.1
211.13206	3.4
211.15047	2.3
213.12769	4.1
213.16515	2.1
215.10709	5.6
215.14320	3.4
215.17870	1.3
217.12215	8.8
219.11862	2.0
221.13426	1.5
223.13245	3.9
225.12857	6.4
227.12749	4.7
227.14601	1.8
229.12292	2.0
231.13881	2.8
233.02739	1.4
233.15262	1.6
235.13185	8.9
239.14394	2.6
243.13817	6.0
245.13373	1.6
253.14223	3.2
257.15350	4.8
267.15930	4.3
271.09525	1.5
273.14954	2.4
275.16315	1.8
295.20679	3.4
305.19034	2.6
313.21768	7.6
313.24884	1.4
321.16943	2.6
323.20020	26.6
341.21103	100.0
342.21500	3.7
359.22195	8.0
377.23334	3.5
379.22705	1.9
397.23306	2.1
397.27676	2.8
415.24527	35.3
432.34387	1.4
433.14319	4.5
433.25421	73.4
434.26230	4.1
448.49228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.07066	3.5
67.05500	6.7
69.07075	6.1
69.55902	4.5
69.56305	2.1
71.08627	2.0
79.05484	3.9
81.07053	12.7
83.08621	2.8
89.40293	1.0
91.05471	10.7
91.57937	1.0
92.58739	0.9
93.07049	12.1
95.04971	2.9
95.08606	13.2
97.06543	2.1
97.10204	1.6
105.07027	30.4
107.08584	14.3
109.06535	2.1
109.10155	8.8
117.07017	11.2
117.83626	1.0
119.08586	21.6
121.06473	2.2
121.10143	11.4
123.11705	5.4
129.07027	1.7
130.07787	2.2
131.07608	1.6
131.08562	21.1
133.10123	13.8
135.08095	2.3
135.11705	8.1
139.07526	2.7
143.08545	4.4
144.09335	1.4
145.10117	64.5
146.10461	1.7
147.11682	8.7
149.13298	1.4
151.07570	1.8
153.09035	1.2
153.98509	1.0
155.07030	28.8
155.08336	1.0
156.09416	1.1
157.10136	8.0
158.10905	1.9
159.11694	52.3
161.13306	6.1
163.07549	1.5
163.11168	2.6
163.14601	0.9
169.10175	3.0
171.11659	1.7
173.09644	1.6
173.13263	19.0
175.14833	25.5
177.09085	2.3
177.12810	1.0
179.10588	1.3
181.04942	28.2
183.11710	2.8
185.13243	2.1
187.11234	2.6
187.14853	2.5
189.16385	4.1
191.10669	2.5
191.17912	1.9
193.12274	2.3
199.14841	3.9
201.12602	3.0
201.16383	100.0
202.16780	1.4
205.12218	4.9
215.14362	1.2
215.17970	12.7
217.15887	3.5
219.17436	16.0
225.16386	4.4
233.19112	1.3
235.16913	22.0
243.17441	14.1
244.67053	1.1
261.18491	50.6
271.05991	12.6
272.06522	1.1
277.53799	1.3
279.19620	2.0
401.87610	1.0
415.24677	1.2
424.69778	1.1
433.25784	6.9
433.30795	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02364	1.3
53.03926	5.4
54.20084	1.2
55.01880	7.9
55.05509	37.2
57.03433	8.1
59.04971	1.3
65.03900	2.9
67.05500	37.3
69.03419	10.3
69.07067	16.1
69.36880	8.6
69.37296	4.1
71.04965	4.9
79.05488	48.9
81.03416	12.1
81.07054	39.9
83.04983	8.4
83.08611	18.0
85.02892	2.3
85.06516	3.9
91.05477	44.0
93.06510	2.3
93.07042	37.4
95.04963	31.5
95.08601	21.2
97.02879	3.6
97.06505	6.7
97.09579	1.4
97.10167	20.0
98.21529	2.5
99.04421	2.3
99.08038	2.1
103.05428	4.5
105.03392	1.5
105.07028	35.4
107.04967	14.7
107.07896	2.1
107.08583	25.3
109.02830	4.9
109.06527	9.8
109.10153	8.8
111.04410	2.3
111.08031	4.2
111.11699	1.3
115.05408	4.0
117.07021	20.4
119.04881	2.8
119.08572	16.9
121.06509	18.6
121.10139	17.6
123.04350	1.8
123.08009	5.2
123.11642	4.0
125.09618	19.5
127.03864	3.8
128.06183	5.0
129.05455	3.3
129.06204	1.6
129.07002	25.0
131.04929	12.0
131.08554	26.6
133.06448	6.4
133.10138	11.3
135.04378	2.7
135.08046	10.4
135.11659	4.3
137.05898	2.2
137.09578	1.5
141.06963	9.5
142.07732	2.2
143.08546	15.2
145.06483	23.8
145.10126	13.2
147.08072	10.4
147.11670	7.4
149.09604	23.4
149.13286	1.8
151.11168	1.5
153.07036	2.2
153.09047	2.2
154.07674	2.6
155.08517	9.7
156.09242	1.8
157.06396	4.7
157.10085	7.9
159.08009	9.3
159.11682	10.1
161.09554	5.6
161.13205	3.0
163.11127	5.7
165.06984	1.7
165.12744	1.9
167.08531	5.3
169.06398	2.0
169.10124	10.6
171.07977	4.5
171.10332	1.9
171.11687	18.5
173.09624	7.3
173.13210	3.3
175.11124	5.7
177.09122	1.9
177.12659	2.4
179.08626	1.6
181.10051	3.8
183.11629	6.4
185.09549	4.1
185.13237	4.6
187.11171	10.6
189.09164	2.8
189.11142	9.5
189.12688	14.0
193.10115	2.0
193.12202	3.0
195.11638	4.1
197.09492	3.3
197.13217	4.4
199.11098	5.6
199.14735	2.7
201.12680	3.2
201.16310	2.2
203.10643	2.4
203.14311	1.9
205.12247	8.4
207.11728	2.1
207.13661	1.9
209.13222	2.5
211.11076	6.3
211.13113	3.0
211.14911	2.0
213.12668	3.2
215.10776	1.7
215.14146	2.8
217.12148	5.9
221.13210	2.2
223.13199	5.1
225.12764	2.8
227.12688	4.0
229.12152	4.4
231.13695	4.0
235.13171	4.1
239.14281	2.2
243.13684	5.0
247.13185	2.7
249.14871	3.0
250.33925	1.5
253.14267	3.5
255.17310	1.9
257.15247	3.4
267.15805	4.9
273.14764	4.0
287.45526	1.4
295.20486	3.8
305.18912	2.9
313.21503	7.3
321.16873	1.9
323.20047	24.1
331.22641	2.7
335.18387	2.0
341.21091	100.0
342.21304	3.0
359.22092	10.8
377.23108	1.7
379.22275	1.9
397.23453	3.5
415.24628	35.5
433.25571	67.0
434.25757	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	433.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.6
54.24363	3.6
54.52396	3.4
55.01857	16.0
55.05511	41.9
57.03424	11.9
60.19703	3.9
64.92877	3.3
67.05502	56.1
69.03426	58.3
69.07066	39.3
71.01332	4.6
71.04980	14.2
71.28574	3.7
71.51514	6.5
73.02904	8.8
76.87460	3.3
79.05486	64.9
79.40144	3.8
81.03411	50.8
81.06599	6.4
81.07053	100.0
82.76585	4.3
83.04978	29.8
83.08609	22.3
85.02915	42.8
85.03397	5.9
85.06523	11.7
91.05473	51.4
93.07038	97.1
95.04961	48.1
95.08611	55.2
97.02894	39.7
97.06538	37.5
97.10154	19.5
99.04440	28.6
103.03914	4.1
103.05434	5.0
105.07029	78.6
107.04943	27.7
107.08588	63.1
109.02885	26.0
109.06504	34.7
109.10155	32.6
111.04417	6.9
111.08084	27.3
113.05955	6.8
117.07008	18.5
119.04943	7.9
119.08576	42.1
119.19773	3.8
121.06500	72.4
121.10132	33.9
123.04428	8.3
123.08056	18.3
123.11726	17.9
125.05955	19.6
125.09597	15.3
127.03901	41.7
127.07532	13.3
128.06218	6.5
129.06981	18.6
130.91924	3.5
131.04922	10.9
131.08575	32.3
133.06497	13.2
133.10118	38.9
135.04358	7.9
135.08064	25.3
135.11687	11.7
136.07535	5.1
137.05981	11.7
137.09624	8.3
139.07535	31.1
139.11177	3.8
141.06960	6.8
141.08992	4.0
143.07013	10.6
143.08546	21.0
145.06459	19.3
145.10130	29.7
147.04355	4.8
147.08020	16.0
147.11665	72.9
149.09602	13.5
149.13223	9.9
151.07552	7.3
151.11145	10.7
153.09085	4.8
154.07736	6.1
155.08528	6.7
157.06560	4.4
157.08629	9.8
157.10109	28.5
159.08047	11.8
159.11682	18.1
159.19408	3.9
161.09575	10.5
161.13210	19.1
163.04010	4.6
163.07588	4.9
163.11153	8.7
163.14848	4.6
164.07022	7.7
165.09123	5.1
165.12750	28.2
167.07040	17.3
167.10724	4.1
169.10106	10.8
169.12250	25.9
171.08011	7.2
171.11670	36.9
173.09593	15.0
173.13225	5.5
175.11203	45.4
177.12723	8.2
181.04924	8.7
181.10136	6.5
183.08080	4.2
183.11681	6.9
184.08762	4.8
185.13239	5.5
187.06042	23.2
187.11153	9.7
189.09109	5.8
189.11201	9.0
189.12744	35.2
193.12248	41.4
195.11700	5.2
197.13222	5.4
199.11140	35.2
199.14787	3.6
205.07051	16.7
207.06514	9.0
207.13750	18.6
211.11304	6.7
211.13228	42.7
213.12802	4.2
217.12227	85.5
229.14310	9.4
235.13277	82.8
235.15546	4.3
236.13550	5.0
253.14325	57.3
271.06079	7.4
271.15305	4.6
301.07095	6.7
313.21548	8.0
323.20068	16.4
331.22629	5.0
341.21097	65.2
359.22147	9.1
379.17905	4.7
415.24231	26.5
433.25327	45.8
433.30270	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	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02365	3.5
50.33385	3.0
51.84208	3.0
53.03937	12.6
55.01883	7.6
55.05508	14.3
55.49113	3.1
57.03436	6.6
57.20100	2.9
60.63870	3.4
61.02911	8.0
67.05518	17.7
69.03429	36.8
69.07071	19.7
69.60231	9.1
69.60648	12.8
70.55663	3.2
71.04990	10.9
73.02898	5.0
79.05501	28.4
81.03417	39.5
81.07055	49.9
83.04987	25.7
83.08611	5.5
85.02905	38.4
85.06541	5.1
87.04440	4.4
91.05480	19.9
93.07043	70.5
95.04955	16.5
95.08597	27.9
97.02900	33.0
97.06535	35.2
99.04456	29.7
101.06023	3.1
105.07040	44.6
107.04947	5.4
107.08587	38.3
109.02888	27.3
109.06520	27.2
109.10149	10.5
111.04436	5.1
111.08093	29.6
115.05516	3.2
115.07565	4.1
117.06978	4.6
119.04944	6.4
119.08561	28.3
121.06508	55.6
121.10142	13.9
123.04443	6.1
123.08061	10.8
123.11732	13.3
125.06034	16.1
125.09725	4.2
127.03913	54.1
127.07563	8.2
131.08568	7.4
133.06497	3.7
133.10135	22.0
135.04434	6.9
135.08031	16.9
137.09624	5.9
139.03949	4.1
139.07521	21.1
142.07718	5.8
143.07043	15.4
143.08551	5.0
145.04909	8.2
145.06528	4.4
145.10153	11.1
147.08072	4.6
147.11681	50.5
149.13280	6.4
151.07462	4.0
151.11209	11.5
153.01819	11.5
153.08942	3.3
157.08598	10.2
157.10121	20.1
161.05972	4.7
161.09688	3.4
161.13234	9.3
163.14812	5.9
165.12753	23.4
169.12225	31.1
171.11690	11.3
173.13231	4.8
175.11198	42.7
180.72731	2.9
187.04521	4.2
187.06007	24.6
189.12741	27.9
191.14368	6.3
193.12253	48.1
194.89886	3.8
199.11154	16.9
205.07079	14.9
207.13873	16.9
209.15364	5.9
211.13287	41.4
217.12253	100.0
229.14328	11.5
235.13283	99.4
253.14355	63.2
271.06012	93.7
271.15457	5.1
272.06363	6.6
285.04233	3.6
286.04633	3.5
297.03967	6.5
301.07043	19.9
313.03394	7.5
343.04395	20.5
344.05115	4.2
379.04529	10.1
397.05573	8.2
397.18222	4.3
433.07803	11.0
433.18854	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	433.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.0
55.01864	12.7
55.05504	19.1
57.03424	19.1
61.02916	7.5
65.03944	10.6
65.52280	4.9
65.54853	4.7
67.05503	41.5
69.03427	51.3
69.07073	39.8
69.81957	28.9
71.04994	23.3
74.98018	5.0
79.05495	46.6
81.03412	48.1
81.07055	93.0
83.04981	39.3
83.08598	11.1
85.02909	47.9
85.06512	13.7
91.05473	35.6
93.07048	95.0
95.04963	30.0
95.08604	60.8
97.02903	38.2
97.06527	62.4
97.10165	8.9
98.21558	5.0
99.04464	36.8
99.08092	8.2
100.75769	4.3
103.05470	5.0
105.07029	72.9
107.04936	16.6
107.08596	74.1
109.02863	31.5
109.06511	40.8
109.10149	29.7
111.04387	4.9
111.08091	48.7
113.06041	6.7
117.07003	11.9
119.08573	45.2
121.06499	82.7
121.10126	32.7
123.04408	13.6
123.08067	19.0
123.11694	28.2
125.05981	19.5
125.09612	7.2
127.03909	71.2
127.07557	20.0
129.07001	11.3
131.08551	18.5
133.06424	8.6
133.10127	35.6
135.04404	7.6
135.08026	32.3
135.11681	11.5
137.05968	21.7
137.09593	5.4
139.03957	6.6
139.07544	25.9
141.05461	5.5
141.06908	4.8
142.07698	10.1
143.07095	22.7
143.08553	14.5
145.04980	8.9
145.06448	7.2
145.10143	25.7
147.04410	5.0
147.08020	10.7
147.11690	77.9
149.07425	10.7
149.09590	20.5
149.13260	11.4
151.11169	16.4
153.09134	8.9
156.09222	9.9
157.08676	11.4
157.10118	28.9
159.08073	8.9
159.11681	9.9
161.05956	11.9
161.09642	9.5
161.13246	16.5
163.07539	5.6
163.11128	8.5
165.12729	33.6
167.07027	19.7
167.75923	5.3
169.10075	7.0
169.12225	29.7
171.11696	27.8
173.09637	6.4
173.13310	8.8
175.11174	54.6
177.08904	6.1
178.09550	5.3
181.04967	42.3
181.10075	6.1
181.12303	6.4
187.05986	26.8
189.12822	28.4
191.10666	5.8
191.14227	6.1
193.08548	6.1
193.12231	52.0
197.05956	6.9
199.11182	24.7
201.16455	5.7
205.07004	27.7
207.06555	6.7
207.13773	19.3
209.15514	5.5
211.13258	53.2
217.12234	98.2
221.08093	16.6
229.14290	14.6
235.13286	100.0
249.07460	11.9
253.04819	6.9
253.14333	67.6
267.06580	9.0
271.06027	84.8
285.07556	21.4
291.38760	5.6
312.99774	13.2
337.58463	5.2
397.17886	5.3
403.13766	16.9
415.09970	7.4
415.32309	9.4
433.10477	11.8
433.30923	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82536	2.6
53.03945	9.0
55.01876	5.0
55.05505	11.8
57.03412	6.0
61.02914	4.8
67.05500	14.2
68.99791	3.6
69.03424	37.8
69.07080	16.3
69.19005	5.5
69.19403	31.4
71.05018	14.2
73.02891	6.3
79.05487	19.4
81.03418	41.1
81.07053	41.5
83.04973	22.0
83.08633	4.1
85.02903	36.5
85.06548	8.2
87.04462	2.8
91.05466	23.9
93.07041	51.5
95.04955	21.1
95.08602	23.6
97.02893	35.3
97.03464	4.8
97.06532	29.9
98.21552	5.7
99.04456	25.1
100.11294	4.3
103.03927	4.2
105.07025	38.5
107.04953	7.3
107.08592	23.5
108.04490	5.4
109.02874	26.3
109.06526	19.5
109.10147	9.3
111.04424	4.1
111.08087	26.9
113.06038	2.8
119.04942	10.4
119.08580	19.7
121.02855	15.1
121.06506	53.1
121.10121	10.6
123.04415	7.9
123.08063	3.5
123.11690	12.9
124.03967	7.3
125.05984	10.5
125.07076	4.4
125.09644	3.0
127.03924	33.1
127.07519	7.4
129.05516	3.6
129.06982	4.0
131.08583	6.8
131.17076	3.3
133.10107	20.7
135.04434	4.0
135.08093	16.3
136.07562	7.4
137.05960	8.1
139.03868	3.7
139.07544	18.4
142.07816	4.9
143.07031	8.6
143.08589	6.3
145.02832	4.9
145.04927	7.0
145.10080	8.8
147.04425	19.5
147.09146	4.2
147.11662	47.9
148.04729	10.2
149.09552	4.3
149.13248	4.0
151.11145	8.9
152.07100	5.1
153.01814	3.5
153.09032	4.8
156.09283	3.9
157.08704	6.0
157.10126	16.5
161.05984	5.5
161.07294	3.0
161.13255	6.0
163.03964	7.9
164.07074	10.0
165.01833	13.2
165.12749	19.9
167.07048	8.4
169.12231	21.2
171.11714	12.2
175.11169	33.6
181.04964	10.3
187.06018	12.8
187.07533	4.4
189.12758	15.2
191.08170	21.9
193.12238	33.7
199.11162	20.7
203.03387	3.8
205.07043	13.8
207.13771	11.5
211.13321	33.3
213.05481	3.9
217.12221	67.6
229.14410	9.8
235.13277	71.3
253.14323	55.9
256.07321	5.6
257.11273	6.1
267.06476	8.6
270.05045	3.2
271.06003	13.3
281.08118	4.4
283.06012	100.0
284.06726	27.7
295.06046	11.7
297.07596	13.8
301.11621	7.2
307.12930	6.1
309.07648	18.8
309.10687	3.7
313.03528	4.4
313.07013	87.7
323.09204	16.6
325.06964	4.6
337.06985	29.5
343.04440	4.5
349.06995	9.4
361.07028	8.3
367.08160	22.4
379.08319	14.4
397.09283	28.3
415.10098	20.7
415.15009	5.7
433.11060	36.4
433.16193	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	433.1491
Annotation	Strobopinin 7-galactoside
Peak:m/z	Relative Intensity
53.03945	0.5
55.01868	0.6
58.93327	0.4
58.96757	0.4
67.05502	0.7
68.99765	0.7
69.03417	0.9
69.07067	0.6
70.86967	1.0
79.05489	0.6
79.21066	0.3
81.03391	0.7
81.07057	1.2
83.04964	0.7
85.02892	1.0
91.05476	1.4
93.07038	1.4
95.04971	0.8
95.08589	1.2
97.06505	0.7
97.83717	0.4
100.29780	0.4
103.05470	3.1
105.07024	1.3
107.08626	0.8
109.02839	1.0
111.08040	0.6
119.08559	0.8
121.06498	0.8
121.10148	0.7
124.01561	1.0
127.03893	0.9
131.04916	7.7
133.06508	0.4
133.10107	0.5
138.83997	0.4
139.03899	0.5
147.11688	1.4
152.01024	1.4
167.03394	100.0
168.03763	1.6
170.02115	1.7
175.11140	0.7
181.04984	0.9
189.12653	0.7
193.12277	0.5
217.12256	1.3
229.08586	0.7
235.13292	1.8
253.14374	1.2
271.09634	92.1
272.09927	3.7
403.13770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01866	2.1
55.05493	2.9
57.03431	1.1
61.01139	1.7
65.03942	5.9
67.05503	7.4
68.99779	2.0
69.03430	3.6
69.07050	3.0
69.79947	3.5
69.80360	1.6
71.04982	1.4
72.04518	1.1
78.03765	2.9
79.05492	9.9
81.03402	3.0
81.07046	6.4
82.04188	2.7
83.04955	2.0
83.08617	0.9
85.02916	5.3
85.06545	1.0
86.05536	0.7
86.06052	3.7
91.05466	4.9
93.03397	1.0
93.07047	6.3
95.04966	7.9
95.08579	4.4
97.02879	1.8
97.06525	4.5
97.10151	1.6
98.20768	1.3
99.04430	1.1
102.03761	5.4
103.05428	1.2
105.06397	1.1
105.07032	11.2
106.07369	0.8
107.04958	11.2
107.08570	3.9
108.02072	0.8
109.02885	2.1
109.06496	3.2
109.10150	2.7
110.03643	2.2
111.04417	1.8
111.08057	2.0
115.05445	1.8
115.08679	3.3
117.06977	2.3
119.04937	1.0
119.08564	3.3
121.02853	0.9
121.06567	3.6
121.10122	3.7
122.03649	1.4
123.04428	3.5
123.08088	1.8
123.11695	1.5
124.05177	2.0
125.05986	4.3
125.09603	1.5
127.03864	2.0
129.06992	2.8
131.04927	1.8
131.06360	2.8
131.08565	2.4
132.04771	3.3
133.02864	0.8
133.06506	7.0
133.10118	3.2
135.08037	2.4
135.11691	0.8
137.05974	17.3
137.09589	0.9
138.03084	2.1
139.03865	0.8
139.07559	1.2
141.07018	4.4
142.02602	2.0
143.06010	1.0
143.08536	1.4
145.06493	3.6
145.10123	1.6
147.04396	2.6
147.08095	1.4
147.11667	2.6
149.06145	1.4
149.07431	20.9
149.09596	2.4
153.05498	1.0
153.06905	0.8
155.07101	1.6
155.08517	1.5
159.08051	1.4
159.11670	1.2
161.05957	8.0
161.13184	0.8
163.03876	1.3
165.12660	0.9
167.07033	16.8
168.05722	1.6
169.06458	4.3
169.10112	1.2
171.06546	4.5
171.11671	2.2
172.05133	0.9
173.05965	1.4
173.09659	0.9
175.03952	1.1
175.11243	1.7
176.04617	0.8
177.05354	0.8
178.04990	20.6
179.06979	0.9
181.04947	73.8
182.05305	1.9
182.06883	0.9
183.04422	1.4
183.06529	2.4
184.05312	0.8
186.06729	1.5
187.07587	1.9
189.05409	1.3
189.09140	0.8
189.12738	2.1
191.06985	1.0
193.08572	8.7
193.12265	1.1
196.05186	1.8
197.05954	14.9
197.13098	0.9
197.25565	0.8
205.08684	1.4
206.05701	0.8
207.06491	1.0
213.05495	3.6
214.06218	7.9
215.07063	2.5
217.08572	0.9
217.12296	2.9
218.05727	0.7
221.05939	1.7
221.08061	25.3
223.20198	0.8
225.05466	16.8
225.07632	1.2
226.06139	1.7
229.08612	1.4
231.06390	0.7
232.06001	1.8
233.08107	3.4
235.09680	1.2
235.13303	3.1
239.07095	1.4
242.05710	15.7
243.06424	2.8
245.08102	1.3
249.05290	0.8
249.07576	12.3
253.04950	16.0
253.14333	3.2
254.05618	1.2
257.08063	3.6
263.09192	1.8
267.06445	1.3
269.04373	1.2
270.05225	18.1
271.05811	2.1
279.08783	1.0
285.07562	100.0
286.07935	4.3
295.05960	1.2
310.04819	1.2
314.10303	2.7
318.70630	1.0
323.20044	1.0
341.21048	4.2
356.11163	3.3
373.12823	1.2
403.13870	40.4
404.14044	2.6
415.13794	2.3
415.24686	1.7
417.05859	0.9
433.09210	8.3
433.15054	2.6
433.25766	4.2
434.09586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1491
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03938	1.7
55.01858	2.2
59.05008	0.8
65.03938	7.7
67.05495	4.5
69.03416	2.8
70.06574	1.8
71.04977	1.2
71.51048	0.8
73.02896	0.9
74.33096	0.6
79.05486	8.9
81.03410	1.5
81.07053	2.6
82.04195	3.0
85.02898	6.6
86.09694	0.7
91.05463	1.4
93.03403	1.8
93.07036	1.5
95.01291	1.1
95.04962	7.5
95.08613	1.2
97.02866	2.0
97.06515	3.4
99.04469	0.8
105.04487	1.3
105.07021	9.3
107.04952	15.6
107.08547	0.8
108.02080	0.9
109.02877	2.1
109.06509	1.1
109.10138	1.1
110.03664	3.7
111.04453	1.6
111.08060	1.0
115.05450	1.4
116.07144	0.9
119.08566	0.8
121.02822	1.0
121.06487	1.0
123.00806	0.7
123.04410	6.8
123.08003	3.3
124.05202	2.8
125.05982	4.7
127.03918	4.6
131.04933	1.3
132.05637	0.7
133.06468	8.6
137.06023	1.7
137.09615	1.3
138.03096	1.9
139.07501	0.9
140.04630	1.8
142.02599	2.4
143.06020	0.8
146.03603	1.2
147.04396	0.9
147.07982	0.9
149.09608	0.7
152.04675	1.5
153.01825	1.5
153.05423	2.2
155.07013	2.7
161.05978	11.0
163.03882	1.3
165.09094	1.1
167.07027	22.6
171.06532	4.9
175.03879	0.9
178.06128	1.2
181.04944	100.0
182.05296	2.4
183.06551	3.5
187.03926	1.4
188.58852	0.6
189.05463	1.6
191.08215	0.8
192.04140	0.7
193.08595	11.8
193.12210	0.7
203.03381	1.3
206.05731	1.7
215.03316	1.2
221.08070	33.5
222.08463	0.9
231.02872	1.3
233.08060	1.2
235.13354	0.9
248.02867	1.0
249.05023	1.3
249.07544	22.3
250.07895	0.9
260.03162	1.1
276.02667	3.3
277.03336	1.0
297.03998	0.8
313.03412	2.7
325.10736	1.2
342.10770	0.8
343.04474	7.2
353.10391	0.6
367.04269	0.7
371.10913	0.7
372.12106	2.2
373.13379	1.0
388.88004	0.7
391.44653	0.8
397.05356	3.0
403.13855	70.2
404.14227	3.6
433.03873	2.8
433.08643	1.7
433.15158	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	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.84411	0.7
53.03917	1.0
55.05494	1.4
57.03432	4.1
59.98474	0.7
60.53347	0.7
64.75552	0.8
66.92652	0.7
69.03416	1.6
70.38102	3.1
70.49893	0.6
71.04993	26.2
73.02859	0.7
75.04462	1.4
76.35114	0.7
79.05486	1.0
81.07051	1.3
82.33684	0.7
85.02905	25.8
89.03873	0.8
92.12523	0.8
93.07005	1.4
95.04964	0.7
95.08593	1.2
99.04507	0.9
105.07031	1.7
107.08585	0.8
111.00764	1.0
117.03374	1.4
119.08547	0.9
121.02841	4.1
121.06516	1.4
129.05502	5.9
133.10161	1.0
141.59814	0.7
145.02811	2.2
145.10059	0.8
147.04416	1.3
147.06444	0.9
147.11668	1.3
153.01805	3.6
157.06462	0.8
165.01871	1.9
177.05524	3.8
183.02899	1.8
213.05411	2.0
217.12173	1.2
221.33629	0.7
234.89418	0.7
235.13402	1.5
241.04950	1.1
253.14317	1.1
258.05347	0.9
258.17737	0.8
259.06180	0.9
287.05496	100.0
288.05875	3.7
299.05408	1.3
329.06583	2.4
353.06519	1.1
390.39270	0.7
397.08984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
53.03939	2.0
55.01866	2.3
55.05514	2.3
55.86087	1.3
57.03422	2.2
60.80551	1.0
65.03928	2.4
67.05496	3.5
68.99775	1.1
69.03423	11.5
69.07050	4.8
69.62978	6.4
71.04976	3.8
73.02876	1.2
79.05480	4.7
81.03406	9.6
81.07043	11.9
83.04974	5.0
83.08614	1.4
85.02899	11.4
85.06526	2.8
88.31360	1.2
91.05470	6.6
93.07043	16.2
95.04955	5.7
95.08611	6.1
97.02895	10.7
97.06522	7.8
98.21482	1.3
99.04451	7.0
105.07024	11.3
107.04945	2.0
107.08597	10.3
108.04466	1.6
108.93594	1.1
109.02869	9.8
109.06513	6.6
109.10156	2.7
111.04486	1.5
111.08060	6.3
119.04942	5.7
119.07805	1.2
119.08570	7.1
120.17753	1.1
121.02840	13.5
121.06494	16.5
121.10166	3.7
122.06817	1.1
123.04359	1.2
123.08064	2.0
123.11678	4.2
124.03857	1.2
125.06004	3.7
125.07085	1.1
125.09617	1.3
127.03912	9.8
127.07550	3.1
131.04906	1.8
131.08525	1.6
133.10095	4.9
135.04401	2.3
135.08060	4.1
137.02448	1.1
137.06006	1.4
137.13249	1.0
138.09117	2.1
139.07520	5.1
141.01793	1.7
143.07022	3.6
143.08601	1.8
145.02832	2.7
145.05014	2.8
145.10117	2.5
147.04401	4.9
147.11702	13.8
148.04745	1.8
149.02367	1.3
149.09552	1.5
149.13239	1.6
151.11148	2.3
153.01831	1.8
157.08676	2.5
157.10130	3.8
161.05948	3.6
161.13255	2.6
163.03886	4.5
164.07057	3.2
165.01848	11.4
165.12741	5.8
167.03372	2.4
167.07030	3.7
169.12213	6.5
171.11693	3.9
175.04016	1.3
175.11168	9.2
177.01852	1.6
181.04944	3.4
181.10068	1.3
183.02905	4.2
187.04070	1.3
187.05988	4.8
189.12759	5.4
191.03419	1.6
191.08215	3.4
191.14378	1.2
193.12209	9.5
195.02917	2.3
196.22507	1.2
199.11162	4.8
205.05093	1.2
205.07082	3.3
207.13789	4.2
211.13264	10.4
213.05467	2.8
217.12236	18.1
227.07144	1.3
229.14339	2.8
235.13283	19.9
239.07281	1.2
253.14282	14.2
255.06483	2.2
256.07288	3.4
257.11218	1.5
261.03848	1.5
267.06525	6.9
270.05264	3.0
271.05984	5.0
281.08075	5.8
283.06006	100.0
284.06677	24.2
284.09625	1.7
285.06979	1.4
289.11896	1.5
295.06122	12.7
295.09229	2.0
297.07547	9.3
301.11682	2.4
305.08093	2.2
307.06223	1.2
307.12753	1.6
308.06808	2.4
309.04153	2.1
309.07507	17.1
310.07715	1.5
311.05347	1.2
313.07037	84.3
314.07330	5.2
321.07483	3.4
323.05591	2.9
323.09073	15.1
325.06879	1.7
327.08765	1.6
333.07501	4.2
337.07037	38.8
338.07397	1.8
341.13998	1.8
343.08069	3.2
349.07114	9.2
351.08630	4.7
361.07019	8.7
367.08060	19.7
367.12244	2.4
379.08176	19.1
397.09198	25.8
415.10223	22.1
433.11176	26.3
433.16013	1.8
434.11560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Isovitexin
Peak:m/z	Relative Intensity
50.41466	0.4
53.03915	0.7
55.01831	1.4
55.05471	0.8
57.03399	1.1
59.11977	0.4
65.03894	0.8
65.37283	0.5
67.05455	1.4
68.99760	0.9
69.03429	3.9
69.07013	1.3
69.66155	0.4
69.91869	1.0
69.92286	1.6
70.06550	0.5
71.04962	1.1
73.02892	0.7
79.01809	0.4
79.05482	2.6
81.03411	3.4
81.07068	3.5
83.04922	1.4
83.08560	0.5
85.02909	4.4
85.06501	0.6
87.04410	0.6
91.05471	2.6
91.05946	0.5
93.07041	6.8
95.04924	1.9
95.08615	2.4
97.02872	2.4
97.06524	3.5
98.21481	0.6
99.04398	1.6
103.05418	0.7
105.07021	3.4
107.04917	1.1
107.08588	2.8
109.02879	3.1
109.06487	2.3
111.04406	0.7
111.08038	1.6
115.05358	0.6
119.04932	4.1
119.08540	2.2
121.02026	0.5
121.02867	9.3
121.06503	3.8
121.10125	4.3
123.04439	0.7
123.11642	1.0
125.05978	0.9
127.03925	2.2
127.07482	0.8
129.06958	0.8
131.04837	0.7
131.08546	1.4
133.02710	0.6
133.10138	1.2
135.04382	1.2
135.08011	1.7
137.02304	0.9
139.07474	1.6
141.01784	1.0
141.05531	0.5
143.06961	0.5
143.08478	0.7
145.02823	3.5
145.04874	0.8
145.10085	0.6
147.04350	0.9
147.11670	3.7
149.02304	1.8
149.09554	2.1
151.11127	0.8
153.01749	0.7
157.08533	0.9
157.10081	1.5
161.05928	0.6
161.13210	0.8
162.51167	0.4
163.03883	3.9
165.01836	13.2
165.05466	0.6
165.06831	0.6
165.12689	2.1
167.03412	2.9
167.06958	0.7
167.10599	1.0
169.12132	1.4
171.11638	0.9
175.11243	2.9
175.12508	0.6
177.01804	1.1
177.05540	0.7
179.03493	0.6
181.04924	1.9
183.02904	4.6
187.03877	2.1
187.05946	1.2
189.01712	0.8
189.12675	1.4
191.03304	1.3
193.12239	3.3
195.02864	2.0
199.11079	1.6
205.04977	1.0
205.07001	1.2
207.02780	0.7
207.13705	0.8
211.07526	0.6
211.13327	3.3
213.05476	0.7
215.03340	0.8
217.04961	0.7
217.12207	4.9
229.04837	1.1
229.14262	0.8
233.02112	0.5
233.04268	0.8
235.13298	7.1
239.06944	1.6
243.02991	0.8
253.14354	4.7
255.06445	1.3
256.07269	1.8
261.03781	0.5
267.06503	7.6
269.04355	0.7
270.05261	2.6
271.05942	7.2
279.06497	1.9
281.05185	0.8
281.08084	6.1
283.05994	100.0
284.06693	13.6
285.07571	1.0
293.08026	0.8
295.02927	0.9
295.06113	12.0
295.09579	2.3
297.04202	0.8
297.07556	5.0
303.05154	0.7
305.08029	3.0
307.05975	1.9
308.06766	2.7
309.03918	1.4
309.07520	18.8
309.11145	1.1
310.07861	1.0
311.05524	1.2
313.07053	68.1
314.07443	2.8
320.06711	0.7
321.07584	2.2
323.05743	0.9
323.09125	15.2
325.07141	0.7
333.07675	3.4
335.05545	0.7
337.07040	32.4
338.07388	1.5
349.07050	10.9
351.08627	3.3
355.08218	0.7
359.87561	0.6
361.07043	8.0
367.08093	18.2
368.08411	0.5
379.03268	1.1
379.08118	18.9
380.08435	0.6
397.09192	19.5
398.09552	0.9
415.10233	12.6
433.11337	12.4
433.16803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
67.05501	3.0
69.07052	2.2
70.82658	0.7
74.13869	0.6
79.05469	1.9
81.07054	2.2
82.78070	0.6
93.07049	1.3
94.07817	0.9
95.08607	6.1
98.20723	1.5
105.07040	1.6
107.04957	7.8
109.10160	1.3
111.04419	1.1
121.06499	2.0
122.07287	16.2
123.08080	8.3
135.08041	4.4
137.05965	1.0
138.06783	1.4
149.09558	0.8
150.05763	1.0
150.06757	45.9
151.07536	76.7
152.07985	5.8
163.07538	2.3
163.11169	0.8
164.08321	1.3
175.07559	3.2
176.08273	1.0
177.09079	2.4
181.05009	0.9
191.10674	21.2
192.11192	1.2
206.13033	0.8
329.39539	0.7
396.55841	0.7
411.34244	0.7
411.40836	0.7
414.34845	14.6
432.35971	100.0
433.36429	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	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	34.1
57.07076	10.0
67.05511	39.2
69.03413	19.3
69.07059	71.2
69.38692	63.5
71.04996	13.6
79.05485	26.4
80.61998	6.7
81.03408	27.0
81.07057	77.8
83.04964	8.8
83.08620	9.2
85.02871	17.2
91.05471	30.0
93.07037	80.5
95.04971	17.2
95.08602	76.0
97.02898	7.1
97.06523	12.1
97.10110	15.1
105.07030	68.1
106.07359	8.9
107.04924	9.8
107.08591	100.0
108.08904	8.1
109.02876	28.8
109.06493	17.0
109.10148	44.9
111.04443	13.8
111.11682	16.5
119.08585	55.3
121.06505	9.4
121.10112	38.4
122.10479	12.2
123.08064	13.8
123.11696	19.8
125.05994	17.4
125.09579	7.5
127.03939	9.6
130.26146	7.1
131.08588	14.3
133.10109	72.4
135.08098	13.5
135.11685	66.0
137.06007	13.1
137.09589	9.0
139.07585	7.8
139.11145	7.0
143.08565	9.6
144.08861	7.5
145.10095	8.5
147.08047	10.7
147.11670	38.4
149.09622	7.0
151.07529	21.1
152.07800	7.8
155.08496	6.5
159.11671	19.9
161.09636	16.2
161.13271	11.8
162.47452	7.0
163.11212	7.8
165.09087	8.5
171.11653	14.7
173.13235	13.7
175.11186	10.9
175.14796	16.5
179.10674	27.7
183.11742	9.5
189.12744	8.9
189.16365	94.0
199.14833	11.3
204.34641	7.8
217.15895	27.7
235.16969	33.7
251.06935	10.3
414.27063	13.6
432.09586	9.5
432.28177	47.3
433.29678	12.5
453.57925	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	432.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03935	1.2
55.01853	0.3
62.06067	0.3
65.03938	1.0
67.05500	0.3
69.03427	3.4
70.70114	0.6
70.70481	0.6
73.02920	0.4
78.03455	5.0
80.05002	0.9
81.03417	5.9
82.03709	0.3
85.02895	2.7
89.03911	0.4
91.05476	8.0
93.07034	0.7
95.04953	1.0
96.04499	1.5
96.26958	0.3
97.02878	2.1
99.04426	1.1
105.07006	0.5
106.02913	19.1
107.03282	0.5
109.02880	3.6
117.03388	0.6
117.68087	0.3
119.04939	22.1
120.05260	0.5
121.05675	0.6
121.06505	9.2
123.04441	5.0
124.03948	35.2
124.50446	0.3
125.04367	0.4
127.03912	2.5
135.08128	0.3
137.02348	0.6
138.02605	0.4
145.02846	2.3
145.04942	0.4
147.04404	100.0
148.04721	2.0
153.01826	0.3
165.05473	2.0
166.04990	1.3
167.07028	0.3
177.05461	3.8
177.91907	0.3
210.43121	0.3
231.06535	0.6
250.07111	7.8
251.07402	0.3
263.30856	0.3
268.08154	19.2
269.08453	0.7
287.05493	17.9
303.04865	0.3
315.04840	0.4
316.05356	1.0
328.05295	0.4
342.06674	0.5
370.06436	0.8
388.13876	0.7
414.12231	3.6
432.13052	5.8
438.18393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3151
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03947	2.1
55.01869	2.7
55.05506	11.5
67.05505	12.5
69.03422	3.1
69.07066	13.1
71.04974	1.6
71.08633	1.3
71.52115	1.4
73.02870	1.3
79.05481	10.3
81.07049	27.8
82.51553	1.2
83.04975	3.4
83.08610	3.8
85.06528	3.1
88.83516	1.2
91.05463	15.4
93.07037	32.6
95.04955	3.6
95.08601	40.4
99.04446	2.8
103.07477	1.2
105.07029	32.9
107.08589	40.7
108.08921	1.5
109.06512	3.5
109.09448	0.9
109.10149	25.5
111.08095	2.7
115.05412	1.6
116.05140	1.2
117.07013	6.4
119.08573	77.3
120.08866	1.5
121.06533	3.0
121.10133	23.3
123.08083	4.8
123.11678	9.3
129.06990	2.8
131.08562	11.3
133.10121	41.3
135.08043	3.1
135.11681	41.6
137.09605	1.7
137.13264	2.2
142.07794	1.8
143.08572	5.6
144.09366	2.0
145.10123	32.4
147.08047	1.6
147.11687	29.0
149.09612	1.9
149.13272	9.1
151.11209	2.7
151.14874	1.8
155.08606	2.7
156.09325	1.4
157.10123	10.6
159.08025	1.5
159.11678	20.0
161.09612	3.9
161.13213	11.7
163.07556	1.7
163.11176	44.4
163.14812	5.6
165.12743	5.3
169.10120	4.9
171.11656	6.6
173.09560	2.8
173.13274	6.8
175.11169	1.8
175.14822	10.2
177.12856	2.7
177.16422	1.5
179.03299	1.5
181.05016	4.3
181.10107	2.3
181.12177	2.1
183.11679	4.0
184.12476	1.7
185.13252	5.5
187.11111	2.1
187.14812	18.3
189.09129	1.5
189.12802	7.2
189.16373	100.0
190.16727	3.6
191.10660	27.5
191.14290	2.3
193.05032	1.8
193.12199	6.7
195.11812	2.0
197.13217	6.9
199.11113	1.3
199.14870	6.3
201.12746	2.5
201.16422	5.5
203.18024	4.6
205.12190	3.3
205.19557	2.3
207.13823	5.7
207.17424	62.2
208.17767	2.3
209.13376	3.1
211.14809	4.4
213.12708	2.2
213.16389	7.8
215.14288	1.5
215.17848	2.1
215.73712	1.4
219.13806	2.5
221.13251	2.6
227.17905	1.6
233.15437	4.5
239.14214	1.5
239.17902	2.0
241.08780	1.7
243.17371	1.3
247.17009	1.5
257.15244	6.6
259.16968	5.5
261.18497	2.1
273.18457	2.0
299.20068	4.4
311.20010	1.5
329.75391	1.4
339.22968	1.9
367.29999	3.3
377.28366	6.2
395.29431	44.5
396.29858	2.2
413.30496	92.1
414.30914	7.2
420.61246	1.4
431.31934	32.6
432.31845	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3155
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03939	1.5
55.01871	3.0
55.05504	7.1
57.07065	1.5
67.05497	8.6
69.03425	1.3
69.07072	10.2
71.04970	1.1
75.24472	1.0
79.05484	6.3
81.07053	21.2
83.04977	1.5
83.08633	4.1
85.06527	2.1
91.05468	9.6
91.74509	1.0
93.07040	22.3
95.04990	2.5
95.08600	34.3
95.09167	2.4
97.06554	2.8
97.10185	1.4
98.93481	1.0
99.04462	1.7
101.06026	2.0
105.07023	26.1
105.07685	1.4
107.08588	33.1
109.06540	2.7
109.10151	17.0
111.08089	2.7
116.95676	1.0
117.07026	3.8
119.08578	65.6
121.06556	1.5
121.10136	18.3
121.10949	1.5
123.08078	1.5
123.11716	6.7
129.06987	1.8
131.08569	9.2
133.10129	30.6
133.11086	1.7
135.08084	1.3
135.11682	33.3
137.13280	2.3
143.08607	4.1
145.06488	1.1
145.10123	27.0
147.11690	24.5
148.28787	1.0
149.13213	6.3
151.11227	2.2
151.14941	2.0
155.08586	1.8
157.10085	9.0
159.11697	17.3
159.12895	1.4
160.12436	1.5
161.09615	1.8
161.13245	8.8
163.11176	40.8
163.14799	5.4
164.11667	2.0
165.12735	4.9
169.10141	2.7
171.11734	4.9
173.09662	4.3
173.13297	5.8
175.11281	2.5
175.14809	9.0
177.12822	2.3
181.05057	1.9
181.12277	1.9
183.11734	3.4
184.12578	1.2
185.13287	3.9
187.11320	2.8
187.14815	14.3
187.16197	1.1
189.09178	2.3
189.12837	7.1
189.16373	100.0
190.16696	5.4
191.10651	24.4
191.14377	1.0
191.18047	1.7
193.12305	4.1
197.13330	4.6
199.14900	4.3
201.12781	2.3
201.16469	3.9
203.18018	4.3
205.12276	4.9
205.15953	1.1
205.19615	1.7
207.14099	6.5
207.17435	58.2
208.17804	1.6
209.11710	2.6
211.14951	2.3
213.16353	7.7
219.13846	2.3
221.79187	1.0
225.16403	1.5
228.75679	1.1
229.22179	1.1
231.17538	1.7
233.15462	1.8
237.70851	1.0
239.14268	1.4
239.17940	1.3
241.16109	2.0
243.17587	1.2
245.15344	2.3
247.16960	1.7
257.15289	6.9
259.17038	5.0
261.18524	2.0
271.17081	1.2
273.18576	2.7
281.22220	1.0
285.18649	1.3
299.20203	1.8
313.21857	1.1
349.29141	1.7
367.29999	2.3
377.28284	7.5
385.31061	2.8
395.29446	41.8
396.29944	2.4
413.30499	87.5
414.31046	5.7
431.31732	37.0
431.37241	2.1
432.31870	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1336
Annotation	Ononin
Peak:m/z	Relative Intensity
69.03403	0.4
69.67601	0.7
69.68026	0.3
70.84532	0.1
79.05482	0.2
81.07021	0.4
83.04955	0.2
85.02884	0.2
93.07007	0.6
95.04942	0.2
95.08541	0.2
97.06474	0.2
98.21490	0.3
98.97512	0.2
105.03350	0.2
105.07014	0.2
117.06960	0.2
119.08532	0.2
121.10125	0.3
123.04425	0.2
124.01607	0.4
128.98607	0.2
129.03345	0.2
147.04367	0.2
149.09628	0.2
152.01006	0.4
153.11089	0.2
154.38371	0.2
167.03273	0.2
170.02048	0.4
219.01698	0.2
226.06219	5.3
240.78525	0.2
249.76280	0.2
253.04959	1.7
254.05725	33.6
255.05937	0.7
269.08066	100.0
270.08453	2.7
280.95853	0.1
389.14899	0.3
431.07657	0.2
431.12918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45595	0.3
52.27224	0.3
55.01855	1.2
55.05494	0.5
58.49512	0.3
60.24786	0.3
61.51162	0.3
67.05481	1.1
69.03406	0.8
69.91167	0.4
69.97557	1.8
70.88217	0.4
74.76558	0.4
79.05466	0.5
81.03394	0.7
81.07059	1.7
83.04960	1.0
85.02866	1.4
85.03335	0.4
85.06516	1.0
91.05452	1.7
93.07023	0.9
95.04949	0.9
95.08568	0.4
97.02876	0.5
98.20841	0.5
98.57240	0.4
105.03349	0.4
105.06963	0.6
105.89204	0.4
107.04933	0.4
107.08613	0.7
109.02831	1.0
109.10151	0.4
119.04935	2.8
121.02840	0.4
121.10115	1.4
122.70388	0.3
123.04432	19.5
123.11678	1.5
126.56087	0.4
127.03863	0.5
129.73056	0.4
133.10130	0.5
135.04414	0.4
137.02324	0.7
137.05965	0.5
139.03893	1.4
139.11160	0.4
141.01808	0.5
143.10641	0.4
147.04404	6.1
149.09633	0.6
155.40413	0.4
163.03876	0.5
165.01848	3.1
165.05507	2.1
167.10751	0.4
179.03377	1.1
183.02859	1.3
191.03391	20.3
192.03926	1.0
193.04985	0.4
203.03329	1.2
204.03812	0.4
205.04945	1.4
207.02916	1.1
219.02893	45.5
220.03339	2.4
220.47446	0.4
221.04442	1.4
231.02892	0.9
233.04413	2.9
249.03928	3.4
261.03940	28.6
262.04266	1.2
267.05026	1.4
273.03973	0.8
275.05469	0.7
279.04996	100.0
280.05292	4.0
285.03986	0.4
291.04929	4.7
297.97018	0.4
303.04941	0.5
309.05966	4.1
321.06039	1.1
395.07901	0.7
405.85281	0.4
413.08710	3.1
431.09732	30.0
431.14392	1.1
432.10236	1.7
455.72458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01863	3.0
55.05509	11.8
55.74319	1.3
56.05028	13.5
56.75403	1.4
57.03428	5.7
58.06607	10.0
59.04995	4.7
61.02921	3.6
67.05507	9.5
69.03432	24.5
69.07059	6.1
69.49082	10.2
70.06597	3.9
70.52142	1.2
71.04986	6.5
73.02927	4.1
74.06081	5.6
78.03452	1.6
79.05483	6.6
81.03423	13.1
81.07055	14.0
81.86848	1.3
82.06577	1.9
83.04980	24.1
83.08606	4.5
84.04499	9.7
84.08171	3.3
85.02441	2.9
85.02910	30.7
85.06544	4.9
85.09844	1.3
85.39262	1.5
86.06071	5.2
87.04452	3.4
91.05488	5.8
93.07040	14.9
94.06560	4.2
95.04961	4.9
95.08599	18.3
96.04517	3.1
96.08122	11.7
97.02898	13.4
97.06535	4.7
97.10168	2.9
98.04543	1.5
98.06070	5.1
98.09703	5.8
99.04469	10.0
99.57534	1.6
101.06020	2.6
103.30103	1.6
105.07005	9.4
106.02892	11.8
107.08578	17.5
108.08114	8.5
109.02856	8.1
109.06505	13.2
109.10166	7.8
110.06055	4.6
110.09681	3.7
111.04459	3.4
111.08068	16.2
112.07627	2.3
113.02396	2.5
113.05999	2.1
114.05521	2.9
115.03933	1.9
117.07040	1.7
119.08583	9.3
121.06509	2.5
121.10145	14.7
122.09704	3.7
123.04391	3.8
123.08062	11.2
123.11724	3.9
124.03953	37.9
124.04854	2.5
124.07581	2.4
124.11258	3.1
125.06007	1.7
125.09628	3.5
126.05522	3.3
126.09155	1.7
127.03910	8.9
127.07541	5.8
131.08556	3.2
132.10489	1.7
133.10161	13.3
134.09634	3.4
135.08037	12.5
135.11720	7.0
136.11205	2.3
137.09612	6.7
139.03928	1.6
139.11220	4.1
142.12216	1.5
144.06631	1.9
145.04962	5.0
145.08627	2.1
145.10114	2.5
147.08052	3.6
147.11693	6.7
148.11159	7.1
149.09608	10.7
149.13289	3.7
150.12721	2.0
151.03952	1.5
151.07504	2.5
151.11203	3.0
152.14380	2.6
153.09105	16.9
154.08646	8.8
157.04977	2.1
159.11606	1.7
161.09680	3.0
161.13338	3.1
162.42879	1.5
163.11246	1.6
165.12807	2.2
167.10732	4.0
168.06587	1.7
173.13214	3.7
175.11241	5.2
176.10651	3.3
177.09094	2.1
177.12756	3.5
186.07689	4.2
187.06024	4.2
189.12662	8.6
191.03384	2.0
191.07088	2.1
191.14354	8.1
193.12190	3.4
194.11734	2.9
195.10129	1.6
203.14355	1.8
204.08655	22.2
206.15416	5.6
207.13797	5.2
209.15361	5.1
215.14316	2.0
219.02963	2.8
222.09697	8.9
224.16547	3.2
232.16992	24.0
233.15375	8.8
234.18570	2.4
250.07109	3.4
250.18015	100.0
251.16167	1.9
251.18459	5.5
261.04044	2.5
268.08127	25.7
268.10770	1.8
268.19061	22.0
269.08438	2.1
279.05032	8.5
286.09131	2.8
331.00659	1.6
412.23288	31.0
413.23196	2.5
430.24420	56.6
431.09470	2.7
431.24240	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05503	1.3
57.03439	11.3
57.06837	1.1
57.07077	15.0
58.06589	1.4
59.04995	1.7
61.02910	3.5
63.04494	21.6
69.03433	12.7
70.06590	1.2
71.01327	1.8
71.09308	2.2
73.02565	1.3
73.02921	12.9
76.85096	1.1
81.03422	2.0
81.07035	1.5
83.04978	1.1
84.04475	1.5
84.61917	1.0
85.02909	31.7
86.06050	2.1
87.04472	1.7
91.05453	2.4
93.07034	2.7
95.04932	1.4
95.08611	1.7
96.04496	1.1
97.02309	1.5
97.02894	21.5
99.04448	1.3
101.09640	1.7
105.07047	2.4
105.63505	1.0
107.08577	2.3
108.08087	3.0
109.02891	2.6
110.06075	5.2
111.04418	1.3
112.07594	1.0
115.03931	9.9
119.08643	2.0
119.10696	100.0
120.11013	1.1
121.10127	4.1
123.08064	1.4
123.11641	1.2
127.03924	9.5
131.08557	1.4
133.04959	16.0
135.08073	1.1
145.04956	11.4
145.10075	2.4
147.04366	2.1
147.11723	2.2
149.11981	1.0
150.07597	1.2
150.09048	1.4
151.07849	1.0
152.10678	1.1
162.12732	1.1
163.06009	3.3
167.05585	1.0
167.10625	1.6
174.12758	1.2
176.10722	2.0
189.12819	1.2
207.06435	1.3
207.13829	3.4
208.16995	2.5
222.18501	1.0
223.06174	1.2
232.16969	4.6
241.06908	1.6
250.10805	2.3
250.18034	35.3
251.16281	1.6
259.08273	1.5
430.16724	1.9
430.24304	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37942	1.5
53.03946	9.9
55.01873	11.4
55.05495	1.6
56.81131	1.4
57.03432	7.1
60.04535	2.1
61.02916	6.4
67.05493	3.5
68.99777	4.7
69.03426	32.8
69.07056	4.1
69.26712	14.7
71.04991	6.4
72.55523	1.5
73.02920	10.0
79.05502	4.0
80.04163	1.3
81.02941	2.0
81.03416	35.3
81.07049	5.2
83.04988	3.0
85.02904	100.0
85.06551	1.6
86.06033	1.8
87.00829	31.9
87.04472	2.5
91.03963	2.6
91.05469	4.3
93.07051	5.1
95.04955	3.4
95.08608	4.6
97.02314	1.2
97.02885	34.9
99.04457	17.2
103.03950	1.8
105.01862	25.8
105.07034	9.7
107.08562	4.0
108.04483	9.2
109.02873	39.9
109.10169	3.4
110.03218	2.1
111.04436	1.9
115.03908	2.1
116.10746	2.0
117.01887	3.4
117.06994	2.6
119.08594	3.0
121.06503	3.2
121.10161	4.2
123.08131	1.5
126.05598	3.1
127.03912	70.6
129.01836	6.4
131.08551	2.2
133.06516	4.8
133.10152	3.0
135.08029	2.4
137.05975	16.3
137.09604	1.7
139.11101	1.7
143.08522	1.7
145.04942	38.6
145.06561	2.3
145.10104	4.5
147.02884	2.9
149.09665	2.2
151.07550	4.3
159.02878	24.1
159.08072	2.3
159.11739	1.9
161.09653	1.8
163.07591	2.9
165.09108	14.0
173.13339	1.6
175.11220	1.6
177.09097	4.3
187.11465	1.5
187.14903	1.8
189.03897	1.9
189.09039	7.3
191.10699	4.4
193.08641	1.8
210.14807	1.5
213.03867	2.1
215.14343	2.7
230.06607	2.4
231.04974	13.3
233.11726	4.5
233.15308	7.4
245.11803	1.7
248.07707	4.8
255.10265	3.9
273.11212	2.7
278.05548	1.7
296.41653	1.6
386.09790	2.0
413.06793	1.9
430.11691	3.3
430.21094	6.1
430.26566	2.6
431.07455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.92698	2.2
55.05511	2.9
57.07083	18.1
67.05504	6.8
68.07226	2.0
69.07064	5.0
69.22337	2.4
70.55531	8.4
71.08636	10.5
78.06287	2.2
81.07053	5.2
82.08358	2.1
83.08613	4.2
85.10194	5.1
93.07075	2.0
95.08607	8.4
100.05282	2.2
107.08592	5.4
107.63689	2.4
109.10152	6.2
119.08601	4.6
121.10107	4.3
129.96338	2.3
133.10156	2.5
135.08055	4.5
137.09612	7.8
145.10083	2.3
149.09608	14.1
151.07503	2.0
151.69621	2.2
159.11658	3.3
163.11185	22.3
165.09116	100.0
166.09361	2.7
173.13078	2.3
175.11195	3.0
177.09102	14.2
191.09189	2.4
191.10684	10.1
201.12663	3.6
205.12268	8.0
208.23643	2.5
219.13863	7.5
326.73544	2.3
349.14816	2.2
401.33923	2.6
411.36191	2.7
429.31650	1.9
429.37238	45.1
430.37491	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.0
55.28588	1.0
57.03401	1.2
57.06840	1.5
57.07078	16.1
67.05487	4.8
69.07062	3.9
70.39825	1.1
71.08627	10.0
72.65372	1.0
74.08210	1.1
75.81885	1.0
79.05513	1.4
79.68372	1.0
81.07062	7.1
83.08625	3.2
85.10177	4.0
93.07028	2.3
95.08606	6.1
97.10143	3.0
105.07005	2.6
105.20917	1.1
105.82861	1.1
107.08596	5.4
109.10152	6.9
111.11728	1.4
111.95370	1.0
119.08570	3.3
121.06534	1.1
121.10140	3.7
122.07308	1.0
123.08035	1.5
131.08571	2.6
132.19901	1.0
135.08084	2.9
135.11636	1.6
137.09624	8.4
139.07484	1.4
145.10114	2.6
149.09608	13.1
151.07649	1.6
159.11688	3.7
161.09613	1.1
163.11180	19.2
165.09114	100.0
165.16202	1.4
166.09442	1.6
169.02614	1.1
173.09653	2.8
173.13261	1.9
175.11151	6.4
175.46918	1.2
176.08301	1.4
177.09152	9.2
177.12753	1.1
179.10678	2.1
187.11224	3.2
187.14810	1.4
189.12723	2.0
191.10677	10.3
192.47420	1.1
201.12738	3.9
203.10674	2.0
203.14380	1.8
205.12256	9.7
215.14427	1.3
219.13829	4.9
229.15923	1.4
229.19550	1.4
233.15320	2.3
261.18564	1.5
275.20084	1.6
289.21429	1.5
303.23215	2.6
373.30759	1.3
401.34119	3.2
411.36136	3.2
429.37314	51.0
430.37552	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.64157	1.1
55.05500	2.5
57.07080	20.0
64.25134	1.1
67.05489	4.2
69.07066	5.5
70.84089	2.1
71.08632	11.5
71.26973	1.0
75.62055	1.1
79.05512	1.6
81.07056	8.0
83.08619	2.4
85.10194	6.6
91.05807	1.1
93.07043	2.1
95.08614	7.5
97.10172	2.5
100.54881	1.1
105.07077	1.7
107.08572	4.2
109.10180	5.8
119.08577	3.2
121.10152	3.0
123.11653	1.5
125.05946	1.2
131.08585	1.2
133.10162	1.6
135.08080	5.2
135.11678	2.5
136.08859	1.5
137.09610	7.8
143.08600	1.0
145.10135	3.6
149.09601	14.5
153.72031	1.0
159.11708	2.7
163.11180	18.4
164.08289	2.6
165.09116	100.0
166.09399	1.4
173.09633	1.9
173.13261	2.6
175.11166	6.7
176.08331	1.5
177.09113	11.4
177.12759	2.2
177.63638	1.1
179.10664	2.6
187.11127	3.2
189.09067	1.2
189.12729	2.0
190.09781	2.0
191.10672	11.9
201.12744	4.5
203.10693	2.0
205.12265	11.1
215.14307	1.9
219.13837	4.9
233.15289	2.5
247.17067	1.1
289.21542	1.7
303.16949	1.4
303.23175	2.4
317.24924	1.6
345.28012	1.2
354.05035	1.1
359.02737	1.2
359.29419	1.2
401.34134	3.2
409.10080	1.2
411.36359	2.3
429.31870	2.7
429.37280	39.4
430.37955	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05490	3.0
57.07073	18.6
59.70045	0.6
63.44795	0.6
67.05505	6.4
69.07062	5.2
70.73299	2.1
71.08307	0.8
71.08630	10.8
79.05492	1.6
81.07052	8.0
83.04946	0.9
83.08604	3.0
85.10169	4.8
91.05441	1.5
93.07040	3.5
95.08601	8.1
97.10145	1.9
105.07023	3.0
107.08576	6.9
109.06498	1.0
109.10142	6.7
110.71132	0.8
111.04448	0.9
111.11681	0.9
117.06979	1.1
118.10302	0.7
119.08582	5.1
119.30150	0.6
121.06486	1.1
121.10153	4.3
123.08045	1.6
123.11653	1.0
130.07796	1.1
131.08530	3.0
133.10100	1.5
135.08031	6.7
135.11682	2.9
136.08807	0.9
137.06013	1.2
137.09608	10.8
137.13231	1.2
139.07512	2.0
143.08516	0.8
145.10104	2.0
149.09612	14.7
149.13263	0.7
151.07466	1.3
157.10146	0.8
159.08029	1.5
159.11673	3.2
161.09654	0.9
163.11176	20.7
164.08418	0.9
165.09102	100.0
166.09427	1.2
172.08771	1.1
173.09624	2.5
173.13219	2.3
173.47418	0.6
175.11145	5.8
176.08287	1.6
177.09099	10.8
177.12738	2.4
179.10701	2.1
186.10402	1.8
187.11197	3.0
189.09169	0.9
189.12762	1.8
190.09888	1.0
191.10675	9.8
201.12776	3.2
203.10645	2.0
205.12233	8.7
215.14349	1.8
219.13777	5.7
229.15831	1.0
233.15395	2.2
247.16896	0.8
261.18475	0.8
275.20145	2.0
289.21667	1.7
303.23203	1.4
317.24887	0.9
322.39938	0.7
331.26294	0.8
345.27634	1.0
373.31049	0.9
400.20111	0.7
401.33862	3.4
406.40500	0.7
410.32730	0.7
411.36108	2.3
429.37274	40.2
430.37845	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	429.2999
Annotation	Fallahydroquinone
Peak:m/z	Relative Intensity
53.03941	1.1
55.01859	3.5
55.05509	4.6
55.69153	0.7
57.07060	2.0
60.62031	0.7
67.05506	5.6
69.03419	0.7
69.07074	4.0
71.04999	0.9
71.51585	1.4
73.71205	0.7
75.93047	0.7
79.05481	5.6
81.03419	1.5
81.06599	0.9
81.07051	11.2
83.04972	2.9
83.08603	2.1
85.06509	1.4
91.05414	5.9
91.62916	0.7
93.07042	15.2
95.04947	2.6
95.08601	9.3
97.02859	0.8
97.06531	2.4
97.10166	1.2
97.24310	0.8
99.04432	2.2
101.05999	0.9
104.88442	0.9
105.07032	15.0
107.08588	23.7
109.06494	3.2
109.10158	8.1
111.08070	2.5
115.05472	0.8
117.07029	3.5
119.08577	25.1
121.06442	1.5
121.10139	17.4
123.08064	3.4
123.11720	3.7
125.09581	0.9
129.07019	1.4
131.08572	7.3
133.10130	10.4
135.08049	3.7
135.11679	6.3
137.09610	3.4
142.07747	1.4
142.69423	0.7
143.08571	2.9
144.09328	1.3
145.10117	22.4
147.08011	1.4
147.11694	11.6
149.02257	1.4
149.09602	5.3
149.13235	2.3
151.07520	1.3
151.11176	2.8
156.09346	0.9
157.10124	5.8
158.10892	1.1
159.11679	16.5
161.09595	2.0
161.13275	6.9
163.11176	56.7
163.14824	3.8
164.11446	1.8
165.12758	3.7
167.05447	0.7
169.10139	1.6
171.11699	4.5
173.09653	4.2
173.13235	5.3
173.38342	0.7
175.11237	1.5
175.14793	1.4
177.12743	4.2
177.16397	1.6
181.04976	3.3
183.11703	1.9
185.13255	2.9
187.11136	2.3
187.14821	9.9
189.12759	2.0
189.16441	1.8
191.10667	23.7
191.14272	1.8
193.10648	0.7
193.12213	4.6
195.11681	1.5
197.13222	2.4
199.11160	0.8
199.14836	2.9
201.12750	1.3
201.16422	4.8
203.14392	1.4
205.12250	2.9
205.15865	50.1
206.16188	1.5
207.13751	1.4
211.14885	1.5
213.12787	0.9
213.16405	5.2
215.14398	1.3
217.15875	1.4
219.17419	4.5
225.16293	1.5
227.17886	1.1
229.15961	1.2
231.17464	0.9
233.15398	1.7
237.16396	1.0
241.15953	1.0
247.16968	1.4
255.17421	1.1
257.15530	1.2
257.19003	1.1
259.16998	3.5
261.18570	1.6
264.80576	0.7
273.18677	1.4
277.19141	0.8
283.20291	1.0
302.11688	0.8
334.96143	0.9
365.28223	5.0
374.24255	0.7
375.26855	2.0
383.29413	2.1
393.27911	11.1
411.28918	100.0
412.29257	6.9
429.12061	1.4
429.29953	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.3
55.01880	6.0
55.05508	16.8
57.03434	17.4
57.47399	1.1
60.10875	1.1
61.02906	2.0
65.03929	1.6
67.05500	18.8
69.03427	37.3
69.07068	10.3
70.98911	1.1
71.01365	1.1
71.04997	8.4
71.52879	1.8
73.02893	2.4
73.15228	1.2
79.05489	18.3
81.03413	82.7
81.07053	23.9
83.04973	25.2
83.08622	16.2
85.02901	25.3
85.06536	3.1
87.04472	2.5
91.05444	19.4
93.07042	16.1
93.07573	1.7
95.04963	21.7
95.08596	12.6
97.02887	46.5
97.06530	7.4
97.10162	7.6
99.04433	8.6
105.07020	17.9
106.07408	1.5
107.04947	4.9
107.08599	10.9
109.02871	20.5
109.06512	6.4
109.10152	9.6
111.04443	10.5
111.08076	11.5
113.06039	2.3
115.05501	1.8
117.07018	4.3
119.04992	1.8
119.08574	16.2
121.06496	4.0
121.10145	11.0
123.04430	1.5
123.08054	2.7
123.11707	4.1
125.05981	1.5
125.09633	3.3
127.03914	13.9
127.07585	1.3
129.05510	5.9
129.07008	9.3
131.08560	9.6
133.06522	3.8
133.10129	9.0
135.08057	3.3
135.11697	4.6
137.06012	3.8
137.09633	3.8
137.13187	1.3
139.03850	1.4
139.11183	2.5
141.06975	1.4
142.07774	3.6
143.08560	3.8
145.04945	1.4
145.06534	1.7
145.10109	7.1
146.10550	1.2
147.07980	2.6
147.11687	13.7
149.02299	1.4
149.05981	1.7
149.09637	4.7
149.13303	1.7
151.07549	4.7
151.11247	2.3
153.05446	1.9
153.12755	1.9
155.08551	1.6
157.10115	13.8
159.08026	1.6
159.11659	3.5
161.09668	1.8
161.13272	2.3
163.07556	2.0
163.11105	5.5
163.40317	1.1
165.09169	3.3
165.12729	6.0
167.03401	8.5
169.10132	1.3
171.11693	3.3
173.09674	3.3
173.13231	2.1
175.03896	1.4
175.11192	13.7
179.10701	1.1
179.17056	1.2
181.12282	3.2
183.11752	1.6
187.11235	1.2
189.09200	1.3
191.10728	4.0
193.04947	2.5
193.10435	2.9
193.12234	55.9
197.13284	1.7
201.12840	1.5
201.16257	1.5
211.13278	100.0
212.13644	2.9
213.05641	1.4
213.12808	2.1
217.05069	1.7
220.40800	1.3
221.04449	1.7
227.12856	5.1
229.12341	1.7
229.14389	3.5
231.13991	2.0
249.14795	6.3
253.08566	1.2
267.15982	3.1
285.16812	6.0
337.16608	1.9
355.17645	5.4
359.02667	1.3
383.26068	2.2
385.04715	1.8
385.09058	10.5
411.11172	5.8
411.20319	2.7
411.25467	3.0
429.12210	18.4
429.21207	53.4
429.26447	9.6
430.12631	1.8
430.21323	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	429.2116
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03943	11.5
55.01868	6.4
55.05507	15.2
57.03431	16.4
64.82584	2.1
67.05501	23.6
67.19627	1.9
69.03428	38.5
69.07074	6.3
69.28990	1.9
70.06581	2.5
70.36503	2.2
71.04996	11.7
71.52006	2.9
73.02907	4.0
73.04762	3.1
79.05492	18.6
81.02937	4.6
81.03415	87.4
81.04503	2.6
81.07056	25.1
83.04982	22.4
83.08624	22.3
85.02905	28.4
85.06547	5.6
87.04445	3.6
91.05421	24.5
93.07025	15.4
95.04959	22.1
95.08638	10.5
96.04536	3.2
97.02891	51.4
97.06544	7.2
97.10162	4.6
99.04442	11.5
101.06029	2.5
105.07021	23.0
107.04957	9.0
107.08566	11.2
109.02879	15.6
109.06483	5.2
109.10168	2.8
111.04460	8.1
111.08076	8.1
117.07021	3.7
119.04942	2.5
119.08569	19.9
121.06488	3.6
121.10130	10.7
123.04433	3.6
123.08047	2.5
123.11713	4.8
124.04006	4.1
125.05984	3.4
127.03917	21.1
129.05521	2.9
129.06979	11.8
131.04927	2.7
131.08586	9.3
133.06509	3.6
133.10124	12.2
135.11711	2.3
137.05972	4.8
137.09650	3.1
139.07497	2.7
143.08565	3.3
145.04987	4.7
145.10147	5.9
147.08081	3.0
147.11685	16.1
149.09634	8.7
157.10138	10.7
159.07990	2.8
163.07480	2.9
163.11172	4.8
165.12759	5.7
167.05414	3.2
173.09644	2.3
173.13364	2.8
175.11131	15.0
181.12267	3.0
183.06493	2.5
189.12784	3.4
193.12242	56.2
211.13277	100.0
212.13741	2.6
227.12827	3.5
229.14430	4.5
249.14929	9.5
249.18631	2.5
267.15997	8.8
285.16824	16.5
301.14514	4.2
321.91788	2.7
355.17502	5.7
359.02603	4.4
393.19043	3.9
405.85315	2.6
411.20099	6.8
429.21225	76.7
430.21698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2114
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
53.03936	6.5
55.01863	4.1
55.05504	13.2
57.03428	10.3
57.07059	1.9
57.30814	1.3
58.67743	1.3
61.02924	2.5
67.05506	10.7
69.03429	20.4
69.07050	4.5
71.04988	7.6
71.51273	2.3
73.02927	1.7
73.04763	1.4
79.05489	18.2
81.02938	2.0
81.03416	39.7
81.07055	12.6
81.97527	1.3
83.04972	20.9
83.08614	7.5
85.02903	15.8
85.06519	1.6
91.05431	17.0
93.06492	2.7
93.07044	40.3
95.04966	12.6
95.08059	1.3
95.08603	5.5
97.02889	24.2
97.06525	4.1
97.10179	1.9
99.04456	5.0
101.02374	1.7
101.06004	13.5
103.05449	2.0
105.07010	11.4
107.04947	4.8
107.08590	8.3
109.02849	8.0
109.06509	3.6
109.10155	2.9
111.04466	3.0
111.08073	5.0
113.06019	1.7
115.03864	1.4
115.05456	2.1
117.06992	2.8
117.88422	1.3
119.04935	2.2
119.07807	2.4
119.08583	25.1
121.06494	3.7
121.10145	51.5
122.10493	1.8
123.04394	2.0
123.08070	11.3
123.11710	1.7
127.03925	10.9
129.05478	5.1
129.06999	4.7
131.04903	3.9
131.08530	7.1
133.06499	2.7
133.10132	4.7
135.07947	2.5
137.05992	2.7
137.09608	8.2
139.03917	1.9
139.11122	1.8
145.10165	3.1
147.08011	2.5
147.11690	10.4
149.09608	26.0
153.12799	1.7
157.10129	5.5
159.11746	1.8
163.11162	4.4
165.09087	8.0
165.12759	1.7
167.03439	1.9
167.10622	5.1
175.11191	5.7
175.14973	1.5
189.12775	1.9
193.12228	24.0
211.13290	36.7
227.12776	3.7
249.14766	8.9
267.15646	7.6
273.15024	1.5
285.17053	7.3
355.17163	1.8
359.02710	4.0
411.20020	4.1
429.21420	100.0
430.21179	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	428.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01866	1.4
55.05516	10.2
55.29062	1.3
57.03431	4.1
57.07066	3.1
62.06086	27.5
66.43898	1.1
67.05507	11.2
69.03431	2.3
69.07065	19.4
69.39395	9.3
70.07412	1.5
70.44565	1.2
71.04988	3.4
73.06583	1.1
74.00581	1.3
79.05489	7.0
81.03406	3.2
81.07057	20.5
83.04974	3.1
83.08620	18.9
85.06528	4.5
91.05467	4.0
93.07043	20.5
94.07359	1.4
95.04971	2.4
95.08618	9.2
97.06532	10.3
97.10172	3.4
98.98456	9.0
99.08120	1.3
101.06041	2.2
105.07018	4.0
107.08594	14.0
109.02908	3.7
109.06480	2.1
109.10134	6.9
111.08085	7.6
115.07536	1.8
119.08559	1.3
121.10131	8.6
123.04443	1.7
123.08074	1.4
123.11691	2.9
124.01571	1.8
125.09609	3.1
131.04910	2.1
131.08577	2.4
133.10164	2.4
135.11716	3.3
139.03914	1.2
142.02574	2.0
145.10095	1.7
148.44661	1.3
149.09654	1.8
149.12061	1.6
149.13255	33.4
155.01067	8.0
157.10020	1.7
159.11743	6.3
166.15932	1.8
167.14310	13.2
173.02078	1.6
177.12794	2.3
195.13799	4.4
197.48511	1.3
198.05263	1.5
216.06276	3.2
228.16206	1.6
231.13727	2.3
231.15901	22.2
238.17984	9.1
249.14873	1.8
256.19019	6.1
267.15927	1.7
269.17462	65.4
270.17642	1.3
287.18509	100.0
288.18759	3.8
303.04819	1.4
312.21713	5.3
349.14087	44.3
349.18335	2.7
350.14526	1.8
367.15201	5.1
385.16177	1.5
392.18213	3.8
410.19388	10.2
428.20248	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	428.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69360	0.5
53.03940	0.8
55.01864	0.6
55.05281	0.7
55.05509	8.2
57.03200	0.7
57.03437	7.3
57.07085	2.5
62.06076	0.5
67.05505	8.2
69.03421	1.1
69.07066	15.6
69.38165	4.5
71.04967	2.7
71.08612	1.8
73.06538	0.5
79.05498	4.5
81.03396	1.2
81.06602	0.9
81.07055	13.4
83.04959	2.1
83.08619	15.4
85.02882	0.8
85.06529	1.6
87.08100	0.6
91.05476	1.5
93.07039	14.4
93.07635	0.7
95.04956	1.1
95.08598	6.9
97.02845	0.5
97.06525	7.7
97.10169	4.4
97.92457	0.5
98.21581	1.0
99.04459	0.6
99.08066	1.1
101.06022	0.8
105.06995	1.6
107.08592	9.4
109.10161	4.2
111.08070	6.0
115.07562	1.1
117.07005	1.4
119.08548	0.8
119.63087	0.5
120.09000	0.5
121.10125	4.0
122.10452	0.7
123.04436	0.6
123.11714	1.4
123.41086	0.6
125.09628	2.2
125.13240	1.4
129.09119	0.7
131.08568	1.5
133.10114	1.2
135.11694	2.1
147.04361	0.6
149.13251	26.1
159.11697	3.7
167.12891	0.6
167.14317	10.1
177.12733	1.6
177.56187	0.5
185.15390	0.7
195.13791	1.5
208.11960	0.6
213.14803	0.9
216.06317	1.0
231.15900	24.9
238.17999	1.4
256.19168	1.8
269.17426	3.4
287.18518	100.0
288.18924	2.6
340.19199	0.6
349.14243	1.1
411.08353	0.5
429.11264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3934
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05511	9.7
57.07058	6.1
61.09024	1.7
67.05179	2.7
67.05503	26.1
69.07067	18.5
69.56726	7.3
69.57133	5.4
79.05486	8.0
81.07056	64.5
83.08611	13.0
91.05482	5.5
93.07047	20.0
95.08604	100.0
96.08941	3.6
97.10165	6.9
105.07011	11.2
107.08592	33.8
109.10155	77.3
110.10516	2.9
111.11692	4.6
119.08592	14.1
121.10138	37.1
123.11710	29.9
133.10127	13.7
135.11679	16.4
137.13251	49.5
138.13374	1.8
145.10117	4.4
147.11700	11.1
149.13280	15.4
151.14830	5.8
159.11670	5.4
161.13242	13.2
163.14859	14.2
165.12744	2.7
173.13205	2.6
175.14771	3.2
177.16389	7.0
179.14287	6.9
179.17908	3.5
187.14856	4.3
189.16406	17.6
191.17926	10.5
203.17947	8.7
205.19521	9.2
207.17480	4.4
215.18094	2.9
217.19505	8.0
219.17473	2.6
219.21072	4.6
229.19469	5.1
231.20979	4.5
245.22668	3.3
259.24167	3.6
264.39310	1.9
271.24045	2.2
299.27438	2.7
314.58405	2.1
315.63977	2.1
409.38412	16.9
410.38855	2.5
427.39899	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	427.3569
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03931	1.4
55.01851	0.7
55.05513	5.2
57.03408	1.0
57.07037	1.4
65.03893	0.7
67.05505	8.4
69.03384	0.8
69.07066	8.5
71.51395	1.4
78.39632	0.7
79.05482	9.0
80.21077	0.8
81.07049	19.8
82.07329	0.8
83.04958	1.0
83.08616	4.3
85.06506	1.2
91.05465	5.8
93.07043	19.6
95.04933	2.4
95.08603	30.5
96.08923	1.1
97.06512	1.4
97.09435	0.6
97.10123	1.6
105.06397	1.1
105.07031	12.3
107.08587	34.5
109.06470	3.0
109.10157	13.5
111.08086	1.6
113.09609	0.7
117.06963	3.1
119.08575	25.1
121.10137	23.8
122.10493	1.3
123.08026	3.2
123.11677	5.5
129.06949	0.8
131.08551	8.1
133.10118	17.7
135.08017	1.7
135.11685	24.9
136.12027	0.8
137.09598	2.4
137.13194	1.9
139.11177	0.9
143.08566	3.6
145.10126	12.0
147.11676	19.9
149.09599	1.2
149.13258	15.8
150.13675	0.8
151.11127	1.7
153.03053	0.7
153.12717	0.8
157.10153	4.5
159.11684	8.0
160.12257	0.9
161.13243	9.2
163.11134	0.9
163.14813	16.9
164.15089	1.2
165.12732	2.5
171.11685	1.8
173.13295	5.0
174.13803	0.7
175.14832	6.1
177.12749	0.9
177.16368	17.0
179.14288	1.4
181.04965	0.8
185.13293	2.4
187.14775	15.4
189.16379	32.5
190.16634	1.5
191.14233	1.5
191.17905	4.9
195.02979	0.7
199.14772	2.2
201.16402	9.5
203.17932	3.9
205.15866	100.0
206.16150	3.5
207.17435	52.8
208.17722	2.1
213.16296	3.5
215.17961	7.3
217.19511	2.3
219.17448	8.6
227.17943	2.7
229.19411	4.2
231.21295	0.8
235.20538	2.5
241.19496	2.7
243.21092	1.6
245.15524	0.8
253.19563	1.0
255.21127	6.2
269.22653	3.0
281.23050	0.8
287.23795	1.8
391.33951	3.3
409.34689	18.3
410.35205	1.6
427.12640	0.9
427.35782	59.8
428.36325	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04963	2.7
53.03924	3.0
55.05509	17.2
57.07062	3.5
59.04989	3.5
64.38118	2.4
67.05502	37.2
69.03422	3.8
69.07064	27.6
69.62682	2.6
69.73573	2.6
70.96590	7.2
71.04984	2.9
79.05484	19.7
79.52773	2.5
81.07054	54.1
83.04961	5.5
83.08613	16.3
91.05479	19.5
93.07034	54.8
95.04956	5.6
95.08604	100.0
97.10152	8.6
98.21008	4.4
105.07024	53.3
107.07890	5.0
107.08586	91.3
109.06506	3.4
109.10152	60.3
111.08051	3.3
115.05458	4.4
117.07024	7.1
119.07709	3.8
119.08570	72.4
121.06422	2.8
121.10130	69.3
123.08020	8.6
123.11716	14.8
131.08543	12.1
133.10114	43.9
135.08026	5.5
135.11681	42.3
137.09604	6.0
137.13226	4.1
140.45172	2.7
143.08603	6.9
145.10094	27.4
147.11697	31.1
149.09560	7.5
149.13252	33.2
155.08537	5.7
157.10121	9.8
159.11679	24.7
160.07535	13.0
161.09526	4.1
161.13246	34.2
163.11163	6.4
163.14825	30.5
165.12766	4.3
167.10657	3.9
171.11687	8.6
173.13266	17.5
175.11252	4.1
175.14815	46.0
177.12784	4.9
177.16364	28.2
179.14250	4.7
185.13216	6.2
187.14828	24.4
188.39481	2.8
189.16397	38.2
191.14296	7.2
191.17984	18.4
195.13809	4.8
199.14757	6.2
201.16354	17.5
203.17940	45.3
205.15895	54.4
207.17397	16.6
213.16344	9.4
215.17902	12.5
217.19421	4.5
219.17395	5.9
221.15210	3.3
223.16956	12.6
227.17906	6.2
229.19505	5.7
231.17380	6.8
231.21027	3.6
241.19017	3.5
245.18875	4.4
249.18477	4.1
255.20999	5.8
261.81961	3.5
295.24393	6.2
313.25156	11.7
331.26434	13.8
391.33487	8.7
409.34720	21.4
427.35782	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.05503	13.7
56.15950	3.0
56.69704	3.4
57.07082	2.9
67.05513	22.7
69.07072	15.2
79.05491	14.2
81.07045	60.5
82.07402	3.5
83.08617	8.6
87.20970	3.1
91.05463	16.8
93.07041	40.1
95.04977	2.9
95.08604	100.0
96.08932	6.0
97.06567	4.9
97.10150	5.3
105.07039	35.8
107.08580	58.3
109.10150	59.6
111.08070	18.1
117.06998	4.6
118.13010	3.0
119.08569	56.0
121.10132	46.8
123.08056	16.2
123.11728	13.7
125.09728	3.7
131.08591	13.1
133.10129	57.6
135.11668	29.5
137.09624	5.4
137.13286	8.6
143.08569	5.3
145.10109	21.5
147.11671	41.6
147.12703	5.1
149.13264	31.8
151.11249	4.0
157.10081	5.2
159.11699	17.5
161.13252	28.8
163.14822	37.1
171.11719	6.7
173.13208	15.6
175.14821	17.6
177.16388	28.4
187.14830	15.0
189.14793	6.9
189.16379	74.6
190.16823	5.1
191.14313	16.7
191.17943	14.5
201.16389	15.0
203.17996	26.4
205.15894	12.2
207.17418	25.3
213.16371	4.8
215.17972	18.2
217.19463	6.0
219.17453	9.0
221.18983	11.7
229.19574	11.0
233.19066	13.3
247.20644	13.8
281.22839	3.7
317.19330	3.5
334.31906	3.3
391.33673	8.0
397.05933	3.6
397.34595	14.1
409.34540	28.6
424.95645	3.5
427.35663	68.3
428.36002	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	427.3566
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03931	0.3
55.01844	0.2
55.05501	2.5
55.47797	0.2
55.91289	0.2
57.07044	0.7
57.17027	0.2
59.04980	0.3
65.03933	0.4
67.05503	2.7
69.03415	0.2
69.07058	3.4
71.04981	0.3
73.70311	0.2
79.05483	2.6
81.07050	7.5
81.64706	0.2
83.04963	0.4
83.08609	2.5
91.05456	2.5
93.07038	7.1
93.62883	0.2
95.04931	0.7
95.08598	11.9
95.96236	0.2
97.06521	0.9
97.10143	0.6
98.21528	0.5
104.67475	0.2
105.07024	6.3
107.08582	13.0
108.08896	0.2
109.06528	1.5
109.10143	5.9
111.08072	0.9
113.09653	0.3
117.07009	0.9
119.08575	7.5
120.08884	0.3
121.02844	0.8
121.06499	0.8
121.10133	6.2
122.10470	0.3
123.08047	6.5
123.11700	2.4
125.09621	0.5
129.07002	0.3
131.08565	3.8
133.09119	0.4
133.10120	6.9
135.08044	1.2
135.11679	8.3
136.12004	0.4
137.09557	0.5
137.13258	1.0
138.59834	0.2
139.11168	0.2
143.08583	1.4
144.09322	0.3
145.10109	5.4
147.11670	6.9
149.09599	1.0
149.13258	4.7
151.11195	1.1
153.12717	0.4
155.08472	0.2
157.10103	1.2
159.11693	5.2
160.12115	0.3
161.13258	3.4
163.11200	0.5
163.14792	4.8
165.12677	0.3
171.11647	1.2
173.13274	2.4
175.11229	0.2
175.14806	2.7
177.12714	1.2
177.16362	2.6
179.14258	0.4
185.13315	1.3
187.14796	6.3
189.16364	8.1
190.16747	0.4
191.14334	0.8
191.17929	1.2
197.13208	0.5
199.14778	1.2
201.16371	4.8
203.17938	4.2
205.15846	9.2
205.19241	0.4
206.16173	0.5
207.17422	6.4
208.17729	0.3
213.16393	1.3
215.17972	2.5
217.15794	0.4
217.19452	0.3
219.17442	2.1
225.16386	0.5
227.17905	0.6
229.19490	0.9
233.18958	0.2
239.17859	0.4
241.19479	0.9
243.21103	0.6
245.18929	0.3
253.19528	0.4
255.21078	2.1
257.22668	0.5
269.22577	1.3
295.24146	0.5
313.25336	0.3
331.26300	8.0
332.26688	0.8
357.27847	7.2
358.28323	0.6
391.33496	1.0
409.34583	2.8
410.35135	0.3
427.35675	100.0
428.36060	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	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.8
57.07070	4.1
65.03936	1.4
65.91121	1.7
67.05170	2.2
67.05497	15.7
69.03419	1.8
69.07063	26.2
69.86073	3.3
69.86504	5.0
73.06541	1.8
79.05497	16.1
81.07052	35.9
83.08617	8.1
83.48653	1.3
85.06542	2.5
86.09699	100.0
87.10017	3.4
91.05477	14.6
93.07038	32.6
94.07362	1.7
95.04954	2.5
95.08601	65.9
97.06544	1.4
97.10184	4.1
102.36172	1.4
105.07023	30.6
107.08585	64.5
109.06506	2.8
109.09400	1.9
109.10143	30.8
111.08083	2.2
117.07015	4.3
119.08573	38.6
121.06560	2.2
121.10135	44.9
122.10468	1.8
123.08056	4.8
123.11683	10.2
125.09648	1.7
129.06992	2.4
129.37914	1.2
131.08565	9.9
133.10124	30.3
135.08067	5.1
135.11681	31.5
137.09695	2.0
137.13269	2.5
143.08562	3.6
145.10115	18.7
147.11674	28.3
149.09665	2.3
149.13239	27.0
153.71313	1.3
157.10146	5.8
159.11699	13.9
161.09677	2.0
161.13237	15.7
163.11172	3.9
163.14812	22.6
165.12724	1.7
171.11716	3.8
173.13260	7.9
175.14847	18.9
177.12758	3.6
177.16368	39.8
177.17845	2.4
180.62733	1.5
185.13248	4.0
186.14877	73.5
187.14812	20.2
189.12802	1.4
189.16379	30.0
191.18007	12.0
195.13824	3.8
199.14896	4.0
201.16377	10.7
203.14316	1.6
203.17953	47.8
204.18257	1.6
205.15871	65.4
206.16191	2.1
207.17439	29.3
213.16420	4.7
214.14371	28.5
215.17957	7.3
217.19505	3.7
219.17401	5.5
223.16853	10.6
225.16519	1.9
227.18082	2.3
229.19511	6.7
231.21031	2.6
241.19571	2.2
249.18491	4.1
253.19542	1.9
255.21159	4.7
259.20468	1.8
269.22769	2.6
282.72464	1.8
295.24191	1.9
313.25330	2.7
314.19403	11.4
315.20090	1.6
391.33722	8.5
399.28543	5.5
409.34674	20.2
425.42142	1.6
427.35751	61.3
428.36166	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	427.3569
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
52.47969	1.8
55.05505	9.9
57.07079	2.1
59.16212	1.6
61.85824	1.8
65.48705	1.7
67.05207	1.8
67.05502	16.0
69.07055	12.1
71.97482	2.1
79.05479	8.0
81.07059	40.5
83.08594	6.0
91.05460	10.4
93.07037	29.9
95.08598	54.1
97.10148	5.9
102.11874	1.8
102.52415	1.9
105.07035	18.6
107.08585	41.8
109.10152	35.5
111.11734	3.1
117.07040	2.5
119.08578	28.0
121.06495	2.4
121.10145	41.2
123.08077	4.1
123.11711	16.7
126.02818	1.9
131.08577	7.2
133.10136	22.3
135.08066	2.4
135.11676	15.6
137.13266	5.1
143.08482	2.9
145.10130	11.2
147.11694	13.5
149.09637	3.8
149.13277	19.2
151.14777	2.6
157.10155	5.6
157.60980	1.9
159.11681	10.8
161.13264	12.1
163.14844	17.9
165.16357	2.8
171.11676	5.2
173.13277	7.9
175.14833	8.9
175.83638	2.2
177.12755	3.6
177.15007	3.5
177.16391	33.0
179.14114	1.9
179.17940	7.4
185.13234	3.3
187.14767	9.7
189.16400	10.9
191.17914	13.5
201.16418	6.8
203.17946	13.8
205.15880	8.3
207.17462	3.3
215.17986	6.7
217.15892	2.3
217.19553	8.0
219.17491	2.7
231.17506	7.5
231.21049	9.6
233.18945	2.9
245.18932	3.6
245.22697	5.7
249.18605	2.9
257.22659	7.7
259.20639	3.4
263.20114	5.5
271.24304	6.1
277.21579	3.7
303.23239	2.5
329.82669	2.1
365.03207	2.4
391.33466	12.1
391.37958	2.2
404.70929	2.0
409.34576	23.2
427.35721	100.0
428.36075	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	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05510	11.7
57.07064	4.3
61.18629	1.8
65.03931	2.5
67.05502	22.7
69.03396	2.2
69.07064	23.3
69.41545	11.0
69.41960	6.9
69.60500	2.1
79.05485	17.8
81.03462	1.9
81.07055	69.5
81.07536	3.4
83.08621	11.3
91.05489	11.2
93.07037	44.6
95.08602	97.0
96.08918	2.7
97.10162	7.5
101.37725	1.9
105.07024	26.2
106.51244	2.2
107.08591	65.0
109.06535	2.7
109.10155	49.2
110.57793	1.9
111.08089	3.4
111.11689	4.6
117.07017	4.6
119.08574	58.0
121.10137	63.5
123.08128	2.7
123.11691	31.5
124.64681	2.0
129.85197	2.1
130.07716	2.2
131.08551	17.0
133.10129	35.8
133.40627	2.3
135.08034	6.0
135.11685	57.7
136.12013	2.2
137.09601	3.3
137.13289	13.5
142.38521	2.1
143.08612	3.4
145.10114	21.1
147.11676	26.9
149.13254	33.1
151.11142	2.9
151.14900	2.9
153.12785	2.7
157.10127	6.8
159.11703	19.5
161.13264	20.8
163.14821	24.3
165.12721	3.1
169.10080	2.5
171.11687	3.4
173.13274	13.8
173.14528	2.1
175.14796	20.7
177.16377	24.4
179.14398	4.0
185.13260	7.9
187.14830	34.2
189.16386	33.4
191.17952	49.4
193.15891	3.3
199.14815	5.3
201.16331	15.4
203.17986	9.5
205.15891	37.3
207.17441	25.5
213.16333	3.2
215.18019	7.9
217.19505	6.3
219.17444	7.2
227.18088	3.5
229.19530	7.2
231.21098	9.1
239.18016	2.5
241.19592	5.3
243.21030	10.8
245.22632	34.5
247.24243	2.7
255.21124	6.5
257.22562	10.3
259.24164	13.1
261.22198	3.3
269.22684	6.3
271.24362	3.8
275.23560	3.0
297.25641	3.2
311.27304	2.3
381.30368	3.8
381.35175	61.9
382.35214	3.4
391.33350	13.0
399.36151	20.3
409.34631	42.5
410.34909	3.3
427.35712	100.0
428.36154	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	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13568	2.3
51.43028	2.1
53.03938	6.6
55.01870	3.2
55.05505	12.8
57.03429	5.0
57.07077	11.8
67.05502	31.6
69.03425	11.3
69.07072	24.6
71.04979	2.8
71.08618	4.1
71.53185	3.3
79.05487	18.6
81.03423	20.6
81.07054	80.0
83.04978	9.2
83.08624	12.2
85.02907	5.7
91.05482	15.3
93.07043	36.2
95.04948	6.5
95.08605	100.0
96.08942	3.2
97.02895	8.9
97.06520	9.6
97.10167	6.4
99.04433	5.0
105.07028	20.9
107.08588	42.3
109.02848	5.7
109.06521	7.7
109.10153	41.3
109.10851	3.8
111.04438	5.8
111.08052	2.5
118.20577	2.5
119.08570	26.9
121.10147	27.5
123.08087	3.7
123.11739	20.8
125.09620	3.9
127.03941	5.6
129.07053	3.1
131.08577	12.2
133.10143	20.5
135.08070	3.2
135.11678	30.8
137.09503	2.8
137.13245	44.8
143.08563	3.7
145.10109	14.4
147.11732	17.4
149.09636	3.0
149.13231	17.3
151.11197	4.9
151.14848	3.7
153.12721	6.6
157.10161	5.6
159.11707	11.8
161.13254	9.7
163.11150	7.1
163.14815	9.6
171.11746	5.2
173.13281	7.3
175.11264	2.4
175.14861	6.9
177.12616	2.6
177.16359	7.5
179.17918	4.6
181.04951	5.6
181.12222	4.4
185.13232	5.8
187.14758	10.8
189.16434	6.5
191.10632	3.0
191.17931	4.5
197.13206	3.5
199.14784	5.0
201.16371	5.2
203.17950	5.1
205.15936	8.9
207.17458	6.0
213.16432	3.8
215.17961	10.4
227.12796	8.6
241.19550	4.1
243.21022	3.1
255.21135	3.1
269.19022	3.3
269.81522	2.3
353.15811	3.9
391.33691	4.7
393.35150	4.0
409.34875	11.4
421.23633	2.7
427.19598	17.2
427.36020	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.99260	1.4
55.05509	13.1
57.03426	2.1
57.07069	3.2
59.86424	1.5
62.39991	1.5
65.03941	1.6
67.05498	18.7
69.03423	2.2
69.07069	15.5
71.51413	2.5
79.05480	15.6
81.06594	2.7
81.07055	39.1
82.07368	1.8
83.04983	2.4
83.08598	7.6
85.06539	2.5
91.05476	12.5
91.83286	1.7
93.07041	34.2
95.04963	3.7
95.08601	72.8
96.08919	2.1
97.06520	3.8
97.10173	4.9
105.07024	27.9
105.07690	2.2
107.08585	55.3
108.08929	1.5
109.06538	4.4
109.09382	2.6
109.10147	46.0
109.10851	3.1
111.08096	3.6
114.18377	1.4
117.07008	2.9
119.08572	44.9
121.10140	42.2
122.10490	1.5
123.08057	6.3
123.11692	13.6
125.09680	1.9
131.08554	17.4
133.10139	30.4
134.10460	1.9
135.08015	3.7
135.11679	33.3
137.09622	2.5
137.13264	4.5
143.08568	4.6
145.10101	19.8
147.11682	28.7
149.09563	3.0
149.13271	21.5
150.13626	1.9
151.11218	4.0
152.86137	1.5
155.08542	1.9
157.10159	5.4
159.11693	15.7
161.13260	21.2
163.11165	3.5
163.14807	22.4
170.81393	1.4
171.11713	5.6
173.13275	11.6
175.14824	22.0
176.15285	1.6
177.12833	2.0
177.16394	15.4
179.14346	2.9
183.11540	2.3
185.13239	4.5
186.22437	1.6
187.14803	20.6
189.16373	30.2
190.16664	2.2
191.14232	2.2
191.17976	15.4
195.06566	1.6
199.14807	5.3
201.16374	13.2
203.14389	2.0
203.17961	29.7
205.15871	47.7
206.16261	2.3
207.17421	22.2
213.16373	3.7
215.17955	8.8
217.15887	2.1
217.19456	2.2
219.17482	6.4
221.15306	1.9
223.16962	4.1
225.16476	2.3
227.18034	2.7
229.19565	6.0
231.17468	2.3
231.21112	3.2
233.19279	1.5
241.19469	3.3
243.20967	2.4
245.18910	2.0
255.21071	5.7
257.22552	3.6
259.20596	3.2
269.22482	3.4
271.23917	1.9
285.25732	2.1
295.24179	3.4
313.25259	5.8
331.26315	3.3
357.28125	2.3
367.75171	1.5
381.34912	1.9
391.33527	4.9
409.34628	16.2
427.35684	100.0
428.35938	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.05507	12.7
56.75290	2.5
57.07062	5.2
58.67230	2.3
59.04993	2.6
67.05504	36.2
69.03403	3.9
69.07067	22.1
71.04964	2.9
71.51633	4.2
79.05490	26.9
81.03403	3.5
81.07057	54.7
83.04977	4.1
83.08600	12.2
85.06519	2.4
91.05478	25.8
93.07047	39.4
93.89111	2.3
95.04973	6.4
95.08604	100.0
97.06487	3.6
97.10151	8.2
99.08051	2.8
105.07027	50.3
107.07883	5.1
107.08594	80.2
109.06508	9.4
109.10157	65.6
111.08084	4.5
111.11726	3.4
113.09686	2.8
117.06995	5.0
119.08579	64.7
121.06512	3.6
121.10136	64.2
123.08177	5.0
123.11710	23.3
125.13338	3.2
129.06961	3.6
131.08540	16.2
133.10130	41.9
135.08063	5.1
135.11682	39.1
137.13269	6.2
140.56206	2.7
143.08531	7.2
145.10107	32.1
147.11685	33.1
149.09613	8.4
149.13257	23.5
151.07579	3.0
151.11209	4.8
153.12750	2.4
157.10098	11.5
159.11702	23.9
161.13260	34.9
163.11177	7.7
163.14798	29.6
165.12691	2.9
165.20616	3.2
169.10225	2.9
171.11641	7.5
173.13289	13.1
175.11186	4.1
175.14830	37.1
177.12732	5.0
177.16386	25.9
185.13251	8.1
187.14799	20.9
189.16414	20.3
191.14357	6.3
191.17949	18.3
195.13783	2.9
196.67189	2.6
199.14822	7.2
201.16367	12.8
203.17952	55.6
205.15880	27.6
205.19450	3.3
213.16376	8.0
215.17931	7.7
217.19434	4.4
219.01682	2.8
219.17416	5.7
221.15251	2.5
223.16908	11.5
229.19528	6.4
231.17432	4.1
231.20958	3.5
239.17931	3.7
249.54829	3.0
253.19562	3.9
257.22693	3.8
263.20221	2.9
269.22559	3.3
285.25885	2.9
295.24146	9.6
313.25266	14.4
331.26218	7.1
358.06668	3.2
387.52582	2.9
391.33508	7.3
396.04266	3.4
396.53180	3.4
409.34747	20.9
427.11700	7.0
427.36206	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.05503	21.4
57.07056	6.7
65.24104	1.9
65.87328	1.9
67.05502	28.3
69.03420	5.1
69.07063	23.3
69.33956	10.2
69.34381	8.8
79.05489	30.8
81.03419	16.6
81.06599	3.6
81.07053	57.9
83.04995	5.7
83.08604	15.1
84.08134	2.7
85.02889	6.9
85.06562	3.6
91.05474	31.0
93.07036	48.5
95.04964	9.1
95.08607	89.9
97.02874	4.1
97.06515	5.7
97.10154	12.9
99.08097	3.5
105.07028	51.7
107.04950	2.4
107.08587	100.0
108.08895	2.9
109.02845	2.4
109.06507	5.5
109.10154	54.5
110.10520	2.1
111.08077	4.4
117.07006	5.6
119.08577	61.0
121.06450	3.3
121.10143	63.5
123.08067	6.0
123.11682	17.0
125.09599	7.6
129.07014	3.5
131.08549	16.6
133.10121	45.5
135.08044	5.1
135.11682	36.0
137.09621	5.1
137.13243	6.3
139.03925	2.7
143.08527	5.9
144.09319	2.9
145.10104	30.5
147.08058	2.5
147.11681	39.8
149.09592	7.9
149.13257	31.9
151.11163	2.4
151.14735	2.2
157.10109	8.8
159.11691	26.1
161.09674	3.7
161.13245	30.2
162.13547	2.6
163.11165	8.6
163.14819	26.4
165.09088	5.0
165.12723	3.6
171.11685	8.9
173.13289	12.1
175.11150	2.9
175.14806	30.5
177.12717	5.8
177.16386	28.6
183.11684	3.6
185.13210	6.0
187.14848	22.4
189.12711	2.8
189.16388	24.7
191.10515	2.9
191.14316	4.4
191.17906	18.8
193.12204	15.6
195.13724	6.3
197.13268	3.3
199.14819	5.9
201.16293	12.0
203.17952	100.0
204.18280	2.5
205.15892	28.9
205.19524	3.4
207.17366	3.6
211.13258	9.9
213.16425	7.1
215.17850	4.0
217.19548	6.3
219.17426	4.9
223.16896	20.1
225.16391	2.5
227.17909	3.8
229.19595	3.2
231.17424	4.0
231.21120	5.0
233.19135	2.5
243.17403	2.2
243.21051	3.9
259.20667	4.0
267.15869	2.2
295.24100	3.7
313.25189	4.6
355.05634	3.0
383.08981	2.5
391.33459	7.1
409.10281	4.1
409.26102	3.0
409.34750	25.6
427.11423	7.1
427.27689	10.3
427.35913	33.5
428.12030	2.6
428.36093	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.0
57.03430	3.2
57.07065	6.1
59.50357	2.8
60.10656	2.8
67.05502	28.2
69.03408	4.8
69.07066	28.6
79.05489	21.0
81.06596	4.4
81.07050	57.0
83.04966	3.9
83.08623	15.8
85.06506	3.2
85.57394	3.0
91.05450	19.4
93.07045	50.2
95.08604	100.0
97.06506	5.7
97.10164	11.1
101.01629	2.8
103.79571	3.0
105.07015	45.4
107.08584	69.4
108.08931	3.2
109.06506	6.9
109.10147	53.9
110.10506	3.9
111.08073	6.2
111.11697	3.1
115.05437	5.5
117.07005	6.3
119.08582	59.2
121.10136	63.2
123.08039	5.7
123.11710	19.1
125.09577	4.1
129.06975	4.3
131.08546	12.2
132.08109	6.3
133.10104	39.6
135.08012	4.4
135.11699	38.3
137.09630	7.0
137.13280	5.2
143.08556	4.8
145.10109	19.1
147.11696	32.1
149.09593	5.1
149.13235	34.2
151.11139	4.1
157.10150	4.8
159.11691	22.7
160.07573	70.9
161.07962	4.1
161.13219	30.0
163.11162	7.1
163.14828	34.2
165.16339	5.1
171.11716	8.1
173.13243	15.5
175.14822	36.1
177.12755	5.7
177.16341	31.3
183.11647	3.4
185.13228	5.4
187.14798	25.2
188.52577	3.1
189.16365	26.7
191.17955	26.6
193.15807	5.2
195.11630	3.4
195.13748	4.3
199.14867	7.1
201.16345	16.7
203.17943	64.9
205.15866	19.5
205.19545	6.7
207.17410	7.6
213.16341	10.8
215.17918	11.8
217.19524	6.0
219.17468	10.3
223.16954	4.1
227.17944	5.3
229.19576	6.3
231.17442	6.9
231.21091	5.9
243.21049	5.9
249.18565	3.6
255.20883	3.9
257.22656	6.3
280.09769	5.1
283.24139	3.0
312.54739	3.2
381.22504	3.1
391.33533	7.5
409.35022	28.0
427.16660	4.6
427.36008	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	427.3569
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.30642	0.8
53.03924	0.8
55.05506	4.6
57.03425	1.4
57.07062	2.1
67.05495	9.3
69.07066	8.2
69.38168	3.4
69.38596	3.1
79.05486	8.0
81.06588	1.5
81.07050	20.4
81.07534	1.3
83.08614	4.8
85.06522	1.9
91.05463	6.3
93.07030	19.8
94.07362	1.1
95.04942	1.0
95.08598	32.1
96.08944	1.1
97.06535	1.1
97.10164	1.9
105.07016	12.7
107.08580	27.0
108.08938	1.0
109.06514	2.0
109.10136	18.0
109.10838	1.2
111.08081	2.4
111.11707	0.7
117.07008	2.2
119.08572	20.8
120.08879	1.0
121.10131	22.4
121.85063	0.9
122.10439	0.9
123.08064	3.2
123.11704	5.6
127.11186	1.4
131.08548	7.7
133.10118	16.2
135.08081	2.6
135.11665	18.3
137.09599	1.7
137.13251	2.7
141.06818	0.8
143.08554	2.4
145.10101	10.7
147.11678	16.5
149.13234	13.1
151.11151	1.0
154.73442	0.8
155.15770	0.8
157.10138	3.1
159.11690	9.4
161.09660	1.0
161.13254	8.0
163.14818	9.7
165.09106	0.9
165.12776	1.4
171.11690	2.2
173.13239	5.6
175.14861	5.6
176.15024	0.8
177.12753	1.5
177.16367	8.0
185.13234	2.7
187.14807	12.4
188.15321	1.0
189.12730	1.6
189.16360	23.0
190.20760	0.8
191.14218	1.0
191.17920	6.4
197.33829	0.9
199.14859	2.9
201.16350	8.9
203.17905	5.2
205.15865	31.0
207.17422	19.9
213.16362	2.4
215.17947	4.5
217.15790	1.0
217.19513	2.4
219.17445	3.3
227.17921	1.2
229.19548	2.6
233.19130	1.0
235.20598	1.7
241.19569	1.3
243.20935	0.9
255.21033	3.4
257.22708	1.1
269.22635	2.5
291.23264	1.3
313.25269	1.0
331.26285	6.7
357.27930	4.0
391.33594	2.5
409.10007	1.5
409.34787	11.4
427.11044	1.7
427.35693	100.0
428.36041	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	427.3569
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05509	5.3
56.13471	0.7
57.03414	1.2
57.07058	1.6
59.17855	0.7
67.05497	4.9
69.07064	7.9
69.20917	6.1
69.21327	2.2
71.08631	1.6
79.05490	3.5
81.07054	11.8
83.04974	2.5
83.08601	5.2
91.05461	3.1
93.07038	9.4
93.66377	0.7
95.04987	1.2
95.08604	16.5
97.10160	2.4
105.07034	6.1
107.08590	13.8
109.06488	1.9
109.10171	10.4
111.11720	0.8
117.06933	0.8
119.08575	7.2
121.06493	1.7
121.10143	13.2
123.08086	1.8
123.11697	5.1
131.08542	3.1
133.10153	5.5
135.08022	3.8
135.11688	10.6
137.09595	3.3
137.13251	1.8
142.62016	0.7
143.08563	1.3
145.10094	3.3
147.11629	3.6
149.09608	13.9
149.13199	4.6
151.07518	1.0
157.10141	1.1
159.08041	0.9
159.11693	4.5
161.09598	0.9
161.13252	2.8
163.11154	2.0
163.14778	2.2
164.04094	0.8
165.09117	19.2
165.10507	1.0
171.11633	0.9
173.13277	1.9
175.14767	5.1
177.09062	1.7
177.12692	1.4
177.16362	9.9
179.14365	0.8
182.10078	0.7
185.13304	0.9
187.14806	2.2
189.16357	1.9
191.10707	1.7
191.17957	1.2
201.16411	3.2
203.10661	1.7
203.14363	0.9
205.12292	2.5
207.17441	1.2
213.16342	1.4
215.17842	1.4
219.17422	3.9
229.19557	1.3
233.18901	1.1
235.16782	0.8
255.21039	0.9
271.20502	0.8
273.22156	4.9
409.34552	3.6
427.35672	100.0
428.36020	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	427.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
53.43109	3.6
55.01865	14.1
55.05511	100.0
57.03432	21.9
57.07071	3.6
64.07600	3.2
65.03938	5.3
66.92574	3.5
67.05504	52.8
69.03431	18.5
69.07063	34.6
71.04972	9.4
71.51775	5.2
79.05492	78.1
81.03413	89.8
81.07050	79.5
83.04994	22.9
83.08610	42.6
85.02901	29.3
85.06547	7.4
87.04449	3.2
91.05482	45.9
92.05813	5.0
93.07038	44.4
95.04976	45.3
95.08602	46.4
97.02876	10.0
97.06522	13.0
97.10165	61.1
98.28500	3.2
99.04469	3.6
101.09642	5.1
105.07030	40.9
107.04985	7.6
107.08581	58.6
108.08920	3.4
109.02869	13.6
109.06508	13.0
109.10141	26.1
111.04469	8.9
111.08083	17.9
115.05463	5.0
117.07016	5.8
119.08573	49.3
121.06490	5.7
121.10141	34.5
123.04445	3.8
123.08069	11.5
123.11717	5.2
125.05964	3.3
125.09623	53.9
127.03897	6.4
128.80904	3.5
129.07019	15.1
131.08582	23.4
133.06487	4.1
133.10114	31.5
135.08055	4.7
135.11702	12.7
137.06003	4.7
137.09628	4.4
137.13251	5.2
140.10719	7.9
141.06972	4.3
142.07764	6.9
143.10658	10.5
145.10117	15.0
147.08002	6.4
147.11691	31.8
149.09619	16.1
149.13293	8.6
151.07623	7.6
155.08592	4.6
157.10191	20.6
159.08105	3.7
159.11681	12.5
160.07584	8.4
161.09618	5.1
161.13239	7.0
163.11162	8.4
163.14812	6.0
165.12764	8.0
169.10165	5.1
171.11681	7.2
173.13290	8.3
175.11151	17.4
175.14873	4.9
177.12794	6.8
177.16367	4.8
179.14243	3.7
185.13249	6.0
187.11142	4.5
187.14828	6.0
189.12717	4.3
189.16418	6.5
193.12236	90.1
197.13231	4.8
199.13293	19.3
199.14909	5.7
203.18013	7.9
207.11894	4.2
211.13266	75.6
211.15047	6.3
217.14334	15.7
219.13991	3.7
267.15826	24.6
285.17053	13.1
317.21082	8.6
330.05347	8.3
331.05969	7.4
335.22260	6.3
355.05911	8.5
356.06543	8.9
366.09192	4.2
369.07431	9.9
370.08200	7.2
383.09146	6.6
384.09882	10.7
391.09399	6.1
409.10464	8.9
409.26184	21.5
409.34637	6.0
427.11734	42.5
427.27118	69.9
427.32156	7.9
427.36368	5.3
428.12299	16.2
428.17444	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	427.1652
Annotation	Daurioxoisoporphine A
Peak:m/z	Relative Intensity
53.15422	0.3
62.70631	0.3
67.04239	0.9
67.05481	0.7
69.07036	0.6
69.41129	2.1
79.05499	0.7
80.04998	1.1
81.07082	1.5
86.38818	0.3
91.05471	1.2
93.05788	0.4
93.07021	1.0
94.06567	2.7
95.04957	0.4
95.08598	1.5
103.05460	0.6
105.07029	3.2
106.06567	0.4
107.08584	1.1
108.08102	0.6
109.10139	0.9
115.05453	9.2
116.04967	0.4
117.05756	5.3
117.07013	0.7
118.06513	0.9
119.04953	0.3
119.08549	0.7
121.02880	1.1
121.10135	0.8
122.06001	0.4
123.11669	0.5
123.33121	0.3
130.06508	1.0
131.04929	0.7
131.07329	0.6
131.08458	0.4
132.08087	12.8
133.05293	0.6
133.06473	1.6
133.08450	0.3
133.10146	0.8
134.06026	0.6
135.11653	0.7
137.13200	0.5
142.06512	2.1
143.07248	1.3
145.06439	0.5
145.10124	0.8
146.06007	3.8
147.04427	2.2
147.11664	0.5
149.02342	0.5
149.13263	0.6
158.06036	0.4
158.09657	0.4
159.04495	0.5
159.06795	3.8
159.08009	0.5
159.11673	0.8
160.07568	100.0
161.07903	2.5
163.14767	0.3
168.08072	0.3
169.06393	0.3
170.05995	0.5
171.06813	1.4
171.11685	0.4
172.07591	0.5
172.12201	0.3
173.06041	0.4
174.09148	0.9
175.03889	6.1
175.11116	0.3
180.08101	0.4
181.04889	0.3
181.06525	0.7
184.07532	0.7
185.13426	0.3
186.09138	8.6
186.10799	0.4
188.10689	2.7
189.16443	0.4
201.05566	0.3
201.16451	0.3
202.02827	0.3
205.15869	0.3
208.07573	0.8
211.08615	0.4
214.11070	0.6
220.07706	0.3
222.07684	0.5
223.08800	1.7
224.07327	0.3
224.09447	1.2
225.10092	0.4
226.08717	0.4
226.10928	0.6
235.06303	0.6
235.08487	0.3
236.07072	2.9
237.07771	0.5
237.10164	3.3
240.06543	1.1
242.08127	1.8
248.09364	0.4
250.08627	2.3
251.07007	1.0
251.11850	1.2
252.06561	1.4
252.10103	0.4
252.12589	4.1
253.07246	0.7
253.13356	4.8
254.08105	9.5
262.08688	0.8
264.10226	0.7
265.07312	0.7
268.09680	13.1
269.10086	0.7
276.10208	0.5
280.09698	2.0
281.10510	0.3
282.11270	1.2
294.11255	0.8
369.12329	0.4
371.65894	0.4
380.11667	0.3
381.12244	0.5
383.10440	1.0
395.13763	0.3
397.11902	1.2
398.12576	5.4
399.12973	1.0
409.15338	2.1
412.14148	1.2
426.34396	0.6
427.16504	49.5
428.16901	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89334	0.2
53.02427	0.2
55.05492	0.2
57.04557	0.5
63.31252	0.2
63.99583	0.2
69.03425	0.3
69.48934	1.4
70.06572	0.3
77.85992	0.2
79.05474	0.2
81.03416	0.2
83.47581	0.2
85.02867	0.2
86.09668	0.2
94.04044	1.3
109.02907	0.2
109.05180	0.2
112.05071	0.3
114.05562	0.2
119.03594	0.2
123.04420	0.5
123.06653	0.8
133.05067	0.3
135.05354	0.2
137.05870	0.2
139.03868	0.4
145.37740	0.2
150.07747	100.0
151.08200	1.3
191.03351	0.2
203.12724	0.2
275.09787	0.2
282.11960	0.8
287.05542	0.3
295.11487	20.7
296.11722	0.6
305.72177	0.2
312.08447	0.3
371.03775	0.2
381.02237	0.4
409.02063	0.4
427.03134	1.2
427.10345	0.4
427.19540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1021
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.03939	1.5
55.01877	3.8
65.03941	1.2
67.01868	1.0
67.05505	1.8
68.99789	6.2
69.03417	3.6
70.06578	1.0
71.05000	0.9
71.13588	1.6
77.03928	1.1
79.01826	1.0
79.05495	1.2
81.03421	3.6
81.07047	0.9
83.04957	1.0
85.02447	0.8
85.02893	3.9
89.03890	0.9
91.05469	1.9
93.03422	0.9
93.07021	1.1
95.04958	2.2
97.02895	2.9
105.03384	2.1
105.07038	1.1
107.01337	0.8
107.04913	1.9
107.08559	0.8
109.02899	1.3
111.00815	3.2
111.04436	4.4
113.02373	2.5
115.04006	0.7
115.05456	0.8
117.06953	0.7
119.04948	2.3
121.02859	3.4
121.06518	1.3
121.10175	0.8
123.04427	54.1
124.04774	1.0
127.03918	4.1
131.04936	1.9
135.04416	14.5
137.02347	1.2
137.05986	3.8
139.03899	100.0
140.04297	1.0
143.03380	1.3
145.02831	1.3
145.06493	1.8
147.04393	5.5
149.02333	2.1
149.05988	2.2
150.07753	19.3
151.03899	7.7
153.01836	13.7
153.03009	1.5
153.07043	1.8
155.04895	0.9
159.04439	1.1
161.02255	0.9
161.05995	2.7
163.03903	23.0
165.05487	4.2
167.03423	13.5
167.04828	0.8
169.01334	2.2
171.02953	0.9
171.04305	1.0
173.06012	2.6
174.09418	0.8
175.03896	8.4
175.07535	1.0
177.05457	6.4
179.03371	10.1
180.08743	0.8
181.04918	1.9
181.06496	2.1
183.04463	1.2
185.05945	2.4
187.03923	3.5
189.05501	4.2
191.03383	25.6
193.04959	10.9
193.06512	1.1
197.06059	1.2
201.01788	0.8
201.05444	8.8
203.03391	18.6
205.04910	4.1
209.05991	1.8
213.05463	3.8
215.03372	2.6
215.07042	1.0
217.04944	2.6
227.07008	1.6
229.04942	13.8
231.02982	1.1
231.06551	2.2
233.04434	9.9
237.02962	0.9
237.05363	1.1
241.04953	3.6
243.06464	1.3
245.00763	0.9
245.04442	11.7
247.06004	14.1
247.14343	1.3
251.05579	4.4
255.06535	4.8
257.04416	19.6
258.04984	1.4
259.03201	1.1
259.05978	8.3
260.03226	1.8
260.20319	0.8
265.15311	3.0
269.04370	4.0
271.06021	4.1
275.05478	32.8
283.06030	16.7
287.05493	53.2
288.05917	2.9
289.06946	1.4
295.11548	3.6
297.03763	1.9
299.05518	5.4
299.08560	1.0
301.07071	11.3
303.01236	1.1
325.03516	1.7
342.03705	0.9
371.04047	2.0
381.02142	4.1
391.08032	1.2
399.03394	1.4
409.01904	3.4
409.09180	19.9
410.09879	0.8
412.09723	0.7
427.02939	12.4
427.11111	3.2
427.20615	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01868	4.5
57.03423	1.2
65.03958	1.3
67.05508	1.0
68.99791	8.3
69.03418	2.8
69.07045	0.9
70.06602	1.3
71.05012	1.0
71.50471	0.6
71.50993	1.0
72.08131	1.8
73.02914	0.8
77.30784	0.7
79.05485	2.1
81.03417	2.1
81.07042	1.1
83.04978	1.7
85.02884	3.8
91.05489	2.4
93.03364	1.5
95.04948	2.2
97.02881	1.7
105.03374	2.1
105.07017	0.9
107.04979	3.8
107.08617	0.9
109.02863	1.7
111.00788	5.2
111.04421	5.0
115.05423	1.3
119.04933	2.4
119.30665	0.7
121.02885	3.9
123.04429	57.2
124.04765	0.9
127.03899	4.4
131.04889	1.8
135.04408	17.0
137.02315	2.3
137.05984	2.2
139.03899	100.0
140.04242	1.8
141.01852	1.0
142.89719	0.8
145.02809	0.9
145.06519	1.1
147.04407	6.0
149.02341	3.1
149.05977	2.1
150.07744	15.7
150.08946	0.8
151.03889	8.2
153.01790	2.4
153.07045	1.3
153.27209	0.9
155.04991	0.9
157.06442	1.6
159.04422	1.2
161.02332	0.8
161.05980	2.8
163.03896	24.2
163.12312	2.8
164.04408	0.7
165.05486	5.8
167.03427	16.3
167.04779	0.6
169.06532	0.9
173.06020	3.5
175.03909	7.2
175.07619	0.8
177.05446	7.1
179.03427	10.0
181.04985	1.5
181.06494	2.4
185.05957	2.8
187.03877	5.0
189.05452	5.9
191.03380	34.4
191.11819	1.3
193.04939	9.6
195.04370	1.0
197.06007	2.0
199.07593	1.3
200.07329	0.8
201.05461	12.6
203.03398	22.3
203.07095	1.8
205.04916	5.3
213.05458	3.7
215.03406	2.8
215.07077	1.2
217.04996	3.7
219.06377	1.0
227.07059	1.8
229.04968	18.4
230.05591	1.2
231.02939	0.9
231.06544	2.0
233.04420	13.7
237.05479	1.6
241.05023	3.5
243.06554	1.0
245.04434	12.7
247.06036	21.0
247.14507	4.1
251.05484	5.1
255.06488	3.9
257.04443	27.7
258.05292	2.0
259.06024	12.1
265.15469	13.3
269.04553	4.4
271.06052	5.6
275.05484	44.8
276.06104	1.1
283.06024	15.5
287.05493	68.9
288.05734	1.6
295.11475	2.1
299.05579	4.6
301.07068	13.3
303.01251	1.2
325.07114	1.0
367.08319	1.2
379.08401	1.3
381.02359	4.3
391.08322	1.0
409.01999	1.7
409.09152	28.0
427.03040	4.0
427.11502	3.8
427.20737	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01574	3.3
53.68164	3.2
59.04990	7.6
67.05499	10.0
69.03421	7.7
69.07052	3.4
69.41855	28.9
70.06587	5.4
71.04985	11.8
79.05481	9.7
79.30331	3.9
81.03410	7.0
81.07052	30.7
83.68511	3.7
85.02898	6.9
91.05493	5.0
93.07047	14.6
95.04959	16.1
95.08620	9.9
97.02891	6.2
97.06516	9.5
98.21487	7.7
99.04424	5.6
105.07037	6.6
109.02884	4.4
115.14749	3.3
119.08640	4.1
121.02792	4.0
121.10146	100.0
123.04430	7.5
123.11713	26.3
124.07530	4.1
125.05989	13.7
139.03917	7.0
139.11177	21.2
147.04323	5.4
149.05838	3.9
149.09628	13.5
163.03847	4.3
167.10670	68.9
179.07036	3.5
185.11705	52.9
230.11484	3.5
231.69316	4.0
245.60350	4.0
287.05609	6.6
329.16025	6.7
397.43442	3.6
403.06714	4.1
416.93289	4.2
426.13916	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	426.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27544	0.4
55.01859	0.9
55.05496	0.6
56.05019	1.3
66.99257	0.5
67.05492	1.5
69.03417	1.3
69.07074	1.0
69.57298	3.2
70.06580	2.0
71.04987	0.7
79.05482	1.6
81.03393	0.9
81.04531	0.7
81.07082	2.3
82.05289	0.8
83.04975	1.3
83.06107	7.0
85.02891	1.8
91.05470	1.4
93.04531	4.8
93.07043	4.2
95.04987	1.6
95.06088	5.9
95.08604	1.5
97.02894	0.9
97.06528	1.8
99.04451	0.9
100.07619	0.6
105.07024	1.8
107.08592	1.9
109.02900	1.1
109.06486	1.2
109.10137	0.7
110.07165	100.0
111.05567	5.1
111.07473	1.1
111.08150	0.6
112.08718	1.1
116.45097	0.4
119.08577	1.3
120.08114	1.1
121.06522	1.4
121.10129	1.5
121.86261	0.5
123.04459	1.6
124.07590	0.8
125.05994	0.7
126.09249	0.5
127.03914	0.9
127.14117	0.4
133.10139	0.7
134.62833	0.4
135.08047	0.7
136.05051	0.8
136.07602	1.0
137.09651	0.5
138.06628	0.9
139.03918	0.7
142.07710	0.4
143.07033	0.9
147.04424	1.0
147.08173	0.6
147.09125	2.7
147.11702	1.5
147.41008	0.4
148.09547	1.8
149.09622	0.4
152.08199	2.1
154.04977	0.4
156.07686	42.5
157.08159	0.6
157.10075	0.5
163.03955	0.6
164.07132	0.5
167.07109	0.8
171.11726	0.4
175.11212	1.2
180.07631	2.4
180.45770	0.4
185.03951	0.5
198.08891	1.3
199.11255	0.7
207.06659	0.7
214.04977	0.7
217.12215	0.8
229.05167	0.4
238.11984	0.6
246.07466	0.5
246.11310	0.7
260.09113	0.8
264.08795	0.8
264.12399	1.8
287.05600	0.8
344.19720	0.7
346.21649	0.7
362.20776	3.1
364.22748	2.4
366.17630	1.1
380.21869	4.5
390.20288	1.1
408.21347	6.3
426.22595	34.1
427.03156	2.6
427.23389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.05507	19.3
57.07067	4.5
67.05498	36.6
68.05814	2.2
69.03421	2.9
69.07063	35.7
70.60521	7.2
71.04981	3.4
79.05481	23.1
80.87010	1.9
81.07052	63.0
81.07530	3.6
83.08614	11.8
86.09678	2.5
87.04421	2.3
91.05470	17.4
93.07035	47.0
95.04964	2.8
95.08601	100.0
96.08996	1.7
97.06522	7.4
97.10175	9.3
99.08089	2.8
105.07023	37.7
107.08589	67.4
109.06534	2.5
109.10152	74.4
111.08050	4.9
111.11732	2.3
117.07001	5.1
119.08573	54.4
121.06438	2.5
121.09244	2.7
121.10138	55.8
123.08052	4.6
123.11700	25.1
125.09638	3.5
127.11213	2.2
129.07024	2.5
131.08548	13.4
133.10118	40.0
135.08049	2.9
135.11681	45.7
137.09550	2.6
137.13214	14.0
143.08527	8.4
145.10107	20.8
147.11670	27.4
149.09656	3.6
149.13257	31.6
151.11192	2.5
153.09096	2.9
157.10132	8.8
158.10857	2.3
159.11679	25.2
161.13266	25.1
163.14816	28.5
165.09033	2.7
169.10095	2.5
171.11707	6.3
173.13278	13.7
175.11159	3.1
175.14810	26.5
177.12761	3.0
177.16377	21.1
179.14363	5.1
181.05008	1.9
185.13283	4.5
187.14780	18.5
189.16360	26.3
190.16566	1.9
191.17921	33.5
192.18268	2.7
193.15904	2.7
199.14777	5.8
201.16365	14.0
203.14268	3.4
203.17957	25.2
205.15854	4.8
205.19460	9.1
207.17424	5.6
213.16321	3.8
215.17914	13.7
217.15955	4.7
217.19461	23.1
219.17548	2.6
219.21069	2.8
225.16292	3.1
227.17830	4.3
229.19502	5.0
231.17462	3.8
231.21086	3.1
233.19008	3.9
235.16882	5.9
235.20596	2.8
241.19508	5.0
243.21060	3.8
251.19975	4.5
255.21237	3.4
257.18835	2.1
257.22614	2.5
271.23935	2.2
379.33499	3.1
389.31973	3.9
407.32816	7.5
407.36786	8.7
425.09390	2.5
425.33127	37.5
425.38092	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	30.9
56.01730	5.0
57.07079	9.9
67.05507	40.9
69.03443	6.1
69.07066	61.2
71.51717	11.8
71.52088	5.6
79.05495	24.0
79.18478	4.9
80.13074	4.9
81.07057	98.1
81.33236	5.2
83.08623	21.6
91.05482	19.0
93.07034	56.6
95.08596	100.0
97.10159	10.1
105.07026	43.6
106.73543	6.6
107.08586	78.5
109.10150	78.1
111.07834	6.3
111.11707	17.3
119.08590	52.2
121.10130	48.5
123.11701	31.7
130.34204	5.0
131.08548	14.0
133.10118	40.9
135.11699	40.1
137.13248	13.2
137.41405	5.8
143.08578	8.2
145.10114	32.3
147.11699	29.4
149.13206	33.9
159.11696	18.8
161.13268	17.9
163.14841	16.5
165.09135	19.8
173.13245	11.7
175.14775	25.8
177.16441	13.0
187.14882	13.0
189.16438	18.4
191.18002	10.1
195.17525	7.4
201.16362	11.8
203.17998	11.8
215.17989	11.0
215.99271	6.5
217.19510	5.9
229.19504	8.8
231.21109	7.1
257.22736	8.4
271.24207	7.9
407.36569	17.1
425.32993	12.2
425.38516	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05495	13.2
67.05495	36.1
69.07056	36.4
69.96010	43.1
79.05488	27.1
81.07053	89.7
81.12477	7.3
83.08638	18.6
91.05470	13.8
93.07045	43.4
95.08607	100.0
97.10165	10.1
98.21518	9.0
105.07024	40.3
107.08606	64.0
109.10142	72.1
111.11700	19.8
119.08567	37.1
120.71944	8.3
121.10123	47.5
123.11687	37.6
131.08527	19.5
133.10126	27.8
135.11682	39.7
137.13225	18.3
137.64374	7.7
145.10109	19.9
147.11662	19.0
149.13237	40.2
153.12729	7.6
156.65594	8.8
157.10062	10.7
159.11676	17.6
161.13260	40.8
163.14821	26.3
169.07405	8.8
173.13275	12.6
175.14836	26.2
177.16411	16.6
187.14815	15.7
189.16393	24.4
191.17908	12.7
203.17897	18.1
215.17996	17.6
229.19530	12.6
231.21059	9.6
271.24115	11.3
287.81088	7.9
362.66058	8.3
402.63882	8.0
407.36688	15.0
425.38113	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72598	1.7
53.03938	2.8
55.05498	7.7
57.07065	8.4
59.24367	2.1
59.27521	1.8
67.05505	24.5
68.56557	1.9
69.07070	18.2
69.58806	15.5
79.05503	13.7
81.07053	83.4
82.07400	4.2
83.08607	7.1
91.05469	9.6
93.07059	20.1
95.08605	100.0
96.08936	2.8
97.10156	5.7
105.07012	17.7
107.08589	25.9
109.06561	2.3
109.10152	33.2
111.08073	2.5
117.07017	4.3
119.08570	15.4
121.10130	18.8
123.11721	14.2
124.68152	1.9
131.08604	9.0
133.10130	12.5
135.11649	11.3
137.13251	43.9
143.08592	3.8
145.10083	11.8
147.11705	10.0
149.13269	11.6
151.14758	3.1
157.10088	5.7
159.11668	11.7
161.13246	5.6
163.14845	5.0
171.11716	4.4
173.13295	3.8
175.14828	4.2
177.16402	3.2
179.18036	2.1
185.13226	4.1
187.14819	7.2
189.16383	4.1
191.17952	4.0
199.14781	3.7
201.16373	4.2
203.17970	3.6
213.16451	3.8
215.18002	2.5
217.19484	4.6
227.17909	4.6
229.19560	3.1
255.21185	2.8
257.22650	4.0
269.22620	4.3
407.36789	7.2
425.38144	16.6
439.66394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03944	1.9
55.05511	12.1
57.07068	8.5
67.05505	24.4
69.06715	1.0
69.07065	20.7
69.07422	1.6
69.98354	0.8
71.08632	1.7
79.05493	12.4
81.07053	71.7
83.08614	14.1
91.05473	11.2
93.07037	24.4
95.04978	1.0
95.08604	100.0
96.08977	1.3
97.06543	1.6
97.10183	3.8
105.07022	19.5
107.08585	31.1
107.09303	1.6
109.06561	1.6
109.10150	39.6
111.11740	2.5
117.07050	4.4
119.08580	21.0
119.09367	1.8
121.10133	22.5
121.10910	1.5
123.08119	1.0
123.11707	26.5
125.09693	1.0
125.13277	2.3
129.07048	2.6
131.08565	12.7
133.10124	20.1
133.11095	1.2
135.11682	22.8
136.11929	1.2
137.13249	46.8
138.13608	1.6
139.11230	1.1
143.08580	6.1
145.10117	14.9
147.11676	17.5
148.12088	1.5
149.13257	17.2
151.14864	4.4
157.10144	5.9
159.11694	11.9
161.13258	11.8
163.11211	1.6
163.14848	6.9
165.16377	1.3
171.11685	7.6
173.13272	9.2
175.13388	1.7
175.14763	7.0
177.12822	1.3
177.16379	6.6
179.14319	1.8
179.18015	2.9
185.13254	7.4
187.14803	7.6
189.12799	1.4
189.16368	12.0
191.17943	12.0
191.19337	1.0
192.18323	1.0
199.14865	5.2
201.16357	9.0
203.14427	1.1
203.17946	10.2
205.15994	2.9
205.19473	5.2
207.17523	1.5
211.15051	1.2
213.16374	7.3
215.17982	10.2
217.16037	1.6
217.19507	9.6
219.17477	6.2
227.17896	6.6
229.19508	5.4
229.25653	1.8
231.17639	3.1
231.21109	1.8
233.19083	1.9
241.19650	2.0
243.21170	1.7
245.19167	4.6
247.20753	1.8
255.21004	5.9
257.22739	3.9
269.22659	4.9
271.24326	1.9
273.22314	2.9
283.24365	4.3
287.23767	1.4
297.25885	1.1
351.30560	1.6
351.67319	1.1
355.46509	1.3
395.36700	2.1
407.36807	19.2
425.38046	36.9
426.38589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05499	6.6
57.07069	3.1
57.78209	2.4
67.05507	17.6
69.07063	20.1
70.76974	5.1
70.77314	3.9
79.05489	9.2
81.07053	37.1
83.08616	4.7
91.05475	2.9
93.07050	18.3
93.11578	2.4
95.08610	56.3
97.10157	5.2
105.06995	15.9
107.08593	33.2
109.10152	45.6
109.10859	4.8
111.11721	6.5
119.08582	22.3
121.10144	25.4
123.08170	3.2
123.11707	20.0
133.10135	11.1
135.11664	22.3
137.13249	13.9
145.10152	8.0
147.11713	13.8
147.98331	2.6
149.13258	11.1
159.11699	8.3
161.13283	11.3
163.14830	9.5
173.13277	8.3
175.14809	7.5
177.16409	9.6
179.14229	4.2
187.14821	3.2
189.16418	10.6
191.17949	16.8
201.16457	6.2
202.75172	2.6
203.17989	12.2
205.19598	8.8
207.17503	3.3
215.17899	6.6
217.19530	7.4
229.19521	4.0
231.21266	2.7
233.19002	5.1
243.21060	5.6
245.22615	8.8
247.20599	13.0
257.22662	4.5
259.24268	2.6
261.22281	6.5
271.24228	5.1
407.36826	18.9
425.37796	100.0
426.37793	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05504	14.1
57.07061	5.7
62.51696	1.8
64.08762	1.7
67.05511	22.1
69.07071	21.8
69.41944	13.9
74.08389	1.6
79.05492	16.3
81.07051	61.7
83.08636	10.6
91.05479	14.4
93.07047	41.8
95.04948	2.1
95.08606	100.0
97.06480	2.5
97.10161	10.6
105.07037	34.5
107.08592	63.4
108.08950	2.0
109.10152	59.0
111.08081	2.9
111.11748	3.7
117.07041	3.0
119.08588	36.2
121.10140	53.4
123.08057	2.2
123.11710	30.1
125.09693	1.8
131.08577	5.8
133.10123	28.9
135.11685	44.0
137.13245	19.1
138.90285	1.9
139.11183	1.9
145.10143	10.3
147.11681	29.6
149.13252	41.7
151.14813	3.8
159.11691	14.3
161.13234	27.3
163.14830	34.3
165.16367	2.2
171.11674	2.3
173.13246	10.6
175.14824	16.9
177.16383	21.1
179.14308	10.5
187.14845	12.3
189.16344	20.2
191.17953	52.5
192.18169	2.1
193.16034	2.2
201.16371	7.4
203.17970	22.9
205.15891	3.0
205.19548	13.2
207.17377	2.5
215.17932	10.5
217.19493	43.0
218.19814	2.0
219.21094	2.5
221.19063	3.3
227.17909	3.2
229.19476	9.0
231.21080	7.2
233.18965	5.4
235.20546	6.0
245.22687	10.3
247.20630	3.6
255.21184	2.5
257.22644	3.4
269.22583	2.6
270.20514	2.0
271.24069	2.1
283.24347	3.3
297.25607	2.8
397.38269	3.2
407.37021	15.3
425.37863	46.3
426.38126	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05509	6.5
57.07070	3.2
67.05500	11.2
69.07061	16.8
70.48827	1.4
70.78764	3.1
70.79137	3.2
77.03911	1.8
79.05502	5.7
81.07052	33.9
83.08617	9.2
91.05481	5.9
93.07051	18.9
95.07991	3.0
95.08602	57.2
95.36352	1.6
97.10168	6.7
105.07024	14.2
107.08584	30.6
109.10149	37.8
111.08071	2.3
111.11728	5.2
117.07027	2.8
119.07806	2.6
119.08580	19.0
121.10133	32.4
123.11700	21.6
131.08577	3.9
133.10135	19.1
135.11696	27.0
137.13237	18.3
145.10104	9.1
147.11664	12.5
149.13263	20.0
159.11678	10.6
161.13272	10.8
163.14819	21.0
165.12749	2.4
173.13232	8.3
175.14799	14.7
177.16393	13.7
179.14342	1.6
179.17937	2.1
185.13307	3.1
187.14799	8.0
189.16406	12.1
191.17905	10.4
199.14867	2.7
201.16359	7.2
203.17934	9.4
205.19557	5.2
207.17439	5.7
213.16232	1.8
215.17989	7.7
217.19432	10.8
219.17549	2.2
219.21097	3.5
227.18066	2.5
229.19527	8.1
231.21072	10.9
233.18947	3.0
235.20401	1.6
241.19626	2.1
243.21107	13.1
245.22601	14.2
247.20718	2.8
255.21220	4.9
257.22638	11.4
259.24167	8.9
261.22095	2.8
269.22565	9.8
271.24246	11.3
273.25812	4.3
283.24298	3.7
285.25711	7.8
287.23718	3.6
297.25821	1.8
299.27026	2.0
301.25302	3.0
311.27252	3.9
325.28870	1.7
329.28418	6.9
334.30042	1.7
341.28357	2.5
357.28070	1.6
365.32111	3.2
383.33423	1.6
407.36798	36.0
425.37839	100.0
426.38129	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01861	2.0
55.05508	13.3
57.07061	5.4
67.05502	28.9
68.05837	2.5
69.07068	23.1
69.48903	5.1
69.49330	9.2
72.78461	1.8
73.11179	2.0
79.05483	25.0
81.07051	59.4
82.07368	2.6
83.04977	2.7
83.08613	8.4
91.05470	16.6
93.07041	34.2
95.04974	2.3
95.08604	100.0
96.08947	2.4
97.06499	4.0
97.10166	8.9
105.07027	42.7
107.08585	62.6
107.09315	3.1
108.08943	2.7
109.06506	5.3
109.10154	51.6
109.36751	1.6
111.04353	1.8
111.08073	4.1
111.11710	3.6
117.06994	5.7
119.08577	47.1
120.08900	2.8
121.02879	2.6
121.09334	3.3
121.10139	42.3
123.08034	5.5
123.11684	22.9
125.09624	5.0
126.53689	1.8
129.06950	2.7
131.08595	11.4
133.10106	30.9
134.10455	3.3
135.08025	3.7
135.11678	24.9
137.09605	2.0
137.13255	19.5
143.08571	7.8
145.10130	19.9
147.11676	27.3
148.12073	2.6
149.02357	2.5
149.13235	27.6
150.13496	2.2
151.11166	2.1
151.14893	2.7
157.10120	7.2
158.10468	2.1
159.11684	21.2
161.13269	18.5
162.13615	2.8
163.11185	3.9
163.14833	27.9
164.15129	3.8
165.12723	3.4
169.10114	3.1
171.11729	5.4
173.13271	18.5
175.14804	23.3
177.16394	19.8
179.17981	1.9
183.11668	3.8
185.13258	5.8
187.14857	18.9
189.16360	23.8
190.16714	3.4
191.14336	2.6
191.17949	26.5
193.15807	2.3
199.14749	5.3
201.16394	13.9
203.14230	5.5
203.17961	17.9
204.18336	2.3
205.15874	8.1
205.19495	5.3
207.17450	6.4
213.16402	5.2
215.17938	8.0
217.15962	3.0
217.19542	23.4
219.17468	2.4
221.19035	2.5
229.19402	6.6
231.17390	2.0
231.20978	2.1
233.19028	4.3
235.20526	4.6
241.19492	4.3
243.21074	3.3
245.22871	2.0
251.07008	3.7
253.14217	2.5
255.20924	4.6
257.22705	3.1
263.07056	2.5
308.08328	2.5
309.08932	3.7
337.08444	7.1
338.08755	2.5
349.08679	2.3
351.10046	7.7
353.07977	3.3
361.08615	2.9
362.09192	2.8
363.10019	2.8
365.08014	6.9
366.08765	8.6
368.06793	2.4
379.09747	14.6
380.10110	4.2
381.07407	4.5
382.08121	2.6
383.09247	2.5
389.31793	5.5
407.09070	22.1
407.32578	13.3
408.09348	3.2
425.10199	51.7
425.25626	3.2
425.33478	43.3
425.38428	9.8
426.10437	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	12.8
57.07056	4.9
63.48575	2.4
67.05507	26.0
69.07069	33.9
69.43719	2.6
71.25401	3.0
71.25750	3.2
78.35593	2.8
79.05487	6.1
81.07050	57.4
83.08605	8.4
91.05481	6.5
93.07031	33.1
95.07989	5.5
95.08602	100.0
97.06529	4.8
97.10162	6.9
105.07022	17.9
107.08582	49.7
109.10155	70.3
111.08119	2.7
111.11709	8.1
117.07009	4.1
119.08572	32.4
121.10139	46.3
123.11718	31.1
131.08553	3.9
132.72351	2.8
133.10098	23.6
135.11699	37.4
137.13271	17.5
141.26059	3.2
145.10127	12.2
147.11670	18.6
149.13263	14.4
159.11656	11.0
161.13284	20.4
163.14809	9.0
173.13245	9.8
175.14835	11.6
177.16362	8.4
187.14810	7.5
189.16399	12.4
191.17976	19.7
201.16425	9.0
203.17990	11.4
205.19525	7.6
215.17973	8.4
217.19565	4.5
227.17886	3.3
245.22672	5.5
247.20610	9.9
269.22540	4.1
271.24329	4.0
279.40054	3.1
330.86319	3.0
352.92108	3.1
407.36612	4.9
414.95187	3.0
425.37784	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70889	2.8
55.05511	19.2
57.04627	2.7
57.07060	9.5
61.41243	3.1
61.79045	3.0
63.33546	2.7
63.64536	2.7
67.05507	33.5
69.07070	42.4
70.00404	15.9
79.05494	25.3
81.06598	5.0
81.07056	78.3
83.04972	5.0
83.08630	14.8
86.05914	3.3
86.09705	4.7
86.86916	3.0
91.05479	14.0
92.83190	2.9
93.07043	42.4
95.08608	100.0
97.10143	9.0
98.20844	4.0
105.07018	36.4
107.08588	54.4
109.10155	62.3
109.10866	6.0
110.10525	3.7
111.08102	6.1
111.11722	7.0
117.07053	3.4
119.08569	32.8
121.10143	38.7
123.11710	26.9
131.08572	11.8
133.10144	32.3
135.11674	32.0
137.13219	15.8
143.08615	3.8
145.10089	19.4
147.11679	18.2
149.13245	25.6
151.14874	3.7
157.10167	4.6
159.11711	17.8
161.13298	19.8
163.14816	18.1
165.12743	5.6
171.11674	5.7
172.13397	2.9
173.13272	9.5
173.22591	3.0
175.14877	18.6
177.16341	14.8
185.13194	4.2
187.14845	9.4
189.16367	12.0
191.17975	13.3
199.14861	5.1
201.16371	8.2
203.18028	14.2
205.19586	5.3
213.16269	5.7
215.17903	6.7
217.19539	8.9
227.17825	4.0
229.19464	6.4
231.20956	3.2
389.32059	3.9
407.32321	5.6
407.36798	12.8
425.33167	15.4
425.37506	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03935	3.9
55.05504	17.7
57.07055	7.1
65.81367	2.2
67.05504	26.7
69.07066	32.5
70.36086	9.6
71.04975	2.8
73.12991	2.1
75.54234	2.1
79.05486	17.6
81.07050	74.8
82.07398	2.6
83.04958	3.0
83.08615	13.8
91.05479	22.7
93.07040	58.9
95.04907	4.6
95.08604	94.9
96.08907	5.5
97.06507	5.6
97.10138	8.1
105.07017	56.8
107.08584	79.2
108.08915	4.2
109.06485	5.3
109.10152	64.6
110.10486	3.7
111.08054	5.4
111.11673	2.6
117.06992	6.9
118.20193	2.1
119.08569	84.1
120.08867	3.1
121.10138	71.6
122.10419	4.6
123.08022	6.2
123.11687	30.5
125.09603	4.7
128.76181	2.1
129.06953	3.9
130.07684	3.1
131.08560	26.0
133.09146	3.4
133.10126	64.6
134.10474	2.6
135.08041	2.3
135.10718	3.0
135.11678	40.3
136.12061	2.3
137.09627	3.0
137.13235	12.3
139.11108	2.8
143.08549	12.2
145.10107	39.4
146.10403	4.1
147.11687	44.5
149.13243	51.4
151.14731	3.9
155.08557	3.3
157.10114	18.1
158.10811	3.0
159.10451	4.1
159.11665	38.5
160.12033	3.9
161.09575	3.8
161.13235	31.6
163.11125	3.1
163.14813	49.0
165.09137	2.5
165.12677	6.1
169.10028	3.3
170.10873	2.8
171.11668	12.0
173.12057	2.3
173.13283	28.1
175.11140	3.0
175.14818	50.0
176.15054	2.8
177.16386	50.5
178.16858	2.6
179.14275	3.4
183.11601	3.7
184.12381	3.1
185.13240	10.6
186.13882	2.7
187.14796	53.4
188.15051	4.4
189.12752	3.4
189.16382	61.5
190.16721	4.6
191.14154	3.0
191.17934	21.1
193.15819	3.5
195.11511	2.5
197.13156	4.4
199.14725	11.7
201.16364	22.0
203.14211	7.3
203.16319	3.3
203.17964	41.1
205.15823	6.6
205.19427	5.0
207.17393	6.4
211.14752	4.0
213.16389	11.9
215.17952	22.0
217.15744	9.9
217.19446	18.0
219.17291	5.5
219.21007	4.0
221.13319	2.3
221.15472	3.4
225.16368	3.6
227.17816	8.4
229.15871	2.8
229.19299	5.9
231.17361	7.0
231.21036	6.8
233.18874	4.4
235.16902	16.9
239.17915	3.1
241.19322	6.9
243.21030	5.8
245.22549	3.7
247.16843	9.8
249.18401	3.6
251.20128	14.7
253.19431	3.4
255.21005	6.6
257.22604	2.7
267.20761	2.5
283.24234	2.8
295.23923	2.6
297.25607	2.4
315.35413	2.2
379.33319	7.0
389.31989	11.5
405.17462	2.3
407.32727	28.3
425.09598	3.1
425.33823	100.0
426.34131	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	425.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05499	4.2
56.10818	1.4
57.03429	0.9
57.07079	1.8
58.71131	1.0
67.05499	8.4
69.03391	1.2
69.07063	9.5
71.51875	2.1
79.05498	5.6
81.03391	1.4
81.07053	31.3
83.04968	1.1
83.08617	2.9
91.05483	5.7
93.07045	17.3
95.04973	1.8
95.08606	23.0
97.10149	1.6
105.07027	16.6
107.08585	24.5
109.06535	1.4
109.10155	13.1
117.07008	2.6
119.08569	17.1
121.10136	13.9
122.89458	1.1
123.08110	1.9
123.11713	4.5
126.99545	1.0
129.07002	2.5
131.08543	6.3
133.10124	17.2
135.11688	6.6
137.09671	1.7
137.13269	10.4
143.08543	5.7
145.10133	12.6
147.11685	19.3
149.13248	26.0
150.13626	1.6
151.11205	2.0
155.08572	1.6
157.10141	4.9
159.11703	10.7
161.13277	4.7
163.14819	41.5
169.10100	2.0
171.11656	5.3
173.11940	1.2
173.13205	6.3
175.14818	6.8
177.12811	1.4
177.16414	3.7
183.11642	1.2
183.55225	1.0
185.13274	4.9
186.27077	1.1
187.14821	11.3
189.16371	9.3
191.17952	1.8
196.39461	1.1
197.13307	2.0
199.14760	5.5
201.16386	5.9
203.17981	10.0
205.15831	2.1
211.14775	1.4
212.15575	1.3
213.16379	6.2
215.17938	11.6
223.14917	1.9
223.17079	1.9
227.17984	7.2
227.19824	1.2
228.18570	1.6
229.19514	7.0
231.41566	1.1
233.19165	1.5
238.61427	1.2
239.17932	1.6
241.19626	5.2
242.20300	2.2
243.21152	4.1
246.18884	1.2
253.19527	1.8
255.21088	18.1
256.21396	1.6
257.19122	2.3
257.22644	2.5
261.89395	1.4
265.19727	1.5
269.22623	10.3
275.20145	6.3
283.20627	1.6
295.24301	1.5
301.21591	24.3
302.21851	1.8
369.07571	1.7
407.08987	1.3
407.33313	7.7
410.13126	1.2
425.10367	2.4
425.34155	100.0
426.34409	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	425.3413
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03946	2.9
55.01862	2.3
55.05502	16.1
57.07063	2.4
65.61287	1.3
65.72272	1.2
67.05502	30.9
69.03419	3.9
69.07069	20.1
69.46024	1.1
69.47835	11.4
71.04973	2.6
72.60496	1.2
79.05490	21.5
81.03387	2.9
81.07051	61.2
82.90147	1.2
83.04964	3.3
83.08614	10.7
85.06524	1.8
91.05471	22.1
93.07037	50.8
95.04974	6.8
95.08601	100.0
96.08917	3.2
97.06538	4.4
97.10159	5.1
103.05458	1.5
105.07025	54.4
106.07362	1.7
107.08583	64.6
108.08894	2.8
109.02844	1.8
109.06506	4.8
109.10149	54.6
111.08080	3.2
111.11723	2.4
116.06205	1.4
117.06988	12.2
119.08574	61.4
120.08875	1.6
121.06497	6.1
121.10139	53.7
123.04416	2.4
123.08076	4.6
123.11687	14.9
125.09580	2.6
127.03941	1.6
128.06216	2.5
129.07001	3.1
131.08557	15.7
133.10115	37.1
133.11102	2.0
134.10483	1.9
135.04475	1.9
135.08025	4.7
135.11691	23.0
137.06021	1.5
137.09599	3.9
137.13254	3.6
139.03888	1.4
139.07539	1.9
142.07758	1.7
143.08522	7.9
145.10124	28.4
146.10547	3.1
147.08029	3.9
147.11685	30.8
149.09636	3.8
149.13255	40.1
149.14389	2.4
150.13615	1.9
151.07555	3.6
151.14771	2.2
155.08614	1.7
156.09377	2.0
157.10112	11.0
159.08128	1.5
159.11682	22.7
160.12122	1.8
161.09639	5.2
161.13246	31.9
162.13583	2.3
163.11223	3.5
163.14807	29.1
165.09082	23.9
165.10338	1.9
166.09546	1.5
168.09296	1.6
169.10114	2.7
171.11700	7.0
173.09622	3.0
173.13237	19.6
174.13634	2.0
175.11221	4.7
175.14838	33.5
176.15221	2.9
177.12749	3.4
177.16383	32.9
178.16673	1.8
179.10732	1.6
183.11684	3.3
185.11603	1.1
185.13226	7.1
187.14809	21.2
188.15170	2.8
189.12764	4.2
189.16359	37.2
190.16757	2.4
191.10736	3.3
191.14293	20.9
191.17947	12.9
193.12273	3.2
193.16022	1.5
195.11665	1.7
197.13261	3.6
199.14864	7.1
201.12714	3.0
201.16374	12.8
203.14326	20.0
203.17941	59.7
204.18350	3.2
205.15874	4.4
205.19463	4.1
209.13252	1.5
211.14964	1.9
213.16356	5.9
215.14378	2.0
215.17992	5.8
217.15948	6.1
217.19586	5.8
219.13814	11.0
221.15349	17.2
221.18919	1.4
223.14793	1.6
223.16850	1.4
225.16411	1.8
227.17940	2.5
229.15884	3.1
229.19644	4.0
231.17296	1.9
231.21091	3.2
233.15295	2.1
235.16928	2.6
241.19569	2.8
243.17462	2.3
243.20988	3.0
247.16962	3.8
249.18599	2.0
253.19460	1.7
255.21199	2.4
261.18716	1.8
281.22629	1.6
311.23816	1.9
329.24844	4.2
348.75394	1.5
354.13370	3.3
355.26294	3.1
379.33691	5.5
389.32089	4.5
395.33020	3.1
407.32953	15.8
408.33405	2.1
425.09616	4.5
425.25528	2.5
425.34189	65.8
426.34500	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03955	3.1
55.05504	13.9
57.03437	1.6
57.07063	4.5
67.05502	22.5
69.07068	35.0
69.45042	11.7
69.45465	4.8
71.08684	1.6
79.05156	1.8
79.05501	19.6
81.06596	3.4
81.07058	52.6
83.04967	3.0
83.08619	10.7
87.04458	3.8
88.81862	1.8
91.05485	23.9
93.06487	3.9
93.07043	48.5
95.04984	3.7
95.08610	76.1
96.08942	2.7
97.06580	2.0
97.10174	6.4
105.06322	3.0
105.07029	55.6
106.07353	2.6
107.08596	71.7
108.08975	2.0
109.06538	4.5
109.10157	38.3
111.08081	7.8
117.07033	8.7
119.08587	97.2
121.10148	60.9
122.10515	2.6
123.08075	5.5
123.11674	13.0
125.09657	5.2
128.06262	4.1
129.07042	5.7
130.07832	2.5
131.08575	26.1
133.10135	82.8
134.10530	2.3
135.07990	1.8
135.11674	22.4
137.09615	4.6
137.13280	3.2
139.11220	2.8
142.07774	4.9
143.08566	16.1
144.09317	4.4
145.10124	42.2
147.11685	31.2
149.09615	2.9
149.13266	52.7
151.11121	3.7
154.57693	1.8
155.08543	3.6
156.09344	5.9
157.10144	18.8
158.10941	4.2
159.11693	44.7
160.12286	2.7
161.09601	8.8
161.13257	23.9
163.14818	58.3
164.15280	1.8
165.12750	6.5
165.16402	2.0
169.10152	4.4
170.10921	3.9
171.11699	16.7
172.12549	1.9
173.11133	2.1
173.13268	38.1
175.11226	5.2
175.14815	67.1
176.15164	4.6
177.12830	2.5
177.16396	71.8
178.16779	3.9
183.11684	4.3
185.13335	9.7
187.14816	72.2
188.15131	2.9
189.12727	2.2
189.16385	53.0
191.17952	11.3
193.15887	13.9
196.12561	2.0
199.14844	14.8
201.16377	17.2
203.14476	2.4
203.17967	29.0
205.15814	3.9
211.14857	4.6
213.16374	14.2
214.16777	2.0
215.17955	33.8
217.15903	6.2
217.19550	3.9
225.16422	3.3
227.17989	6.4
229.15898	4.5
229.19522	2.6
231.17419	11.3
231.21097	4.5
233.19043	8.4
235.16924	32.7
236.17290	1.8
239.18044	3.6
241.19534	5.2
243.17502	3.3
243.21150	2.6
247.16928	17.5
249.18526	6.0
251.20044	26.7
255.21133	3.3
275.20053	3.5
279.21115	2.6
295.24329	3.2
297.25781	4.1
309.25751	2.1
379.33868	4.3
389.31958	19.3
407.33109	34.7
408.33630	3.3
425.34167	100.0
426.34402	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03927	1.3
53.92143	1.1
55.05510	6.3
57.07062	2.9
67.05502	10.9
68.58691	1.0
69.07062	14.6
69.30780	3.9
69.31197	7.3
71.08639	1.4
79.05482	10.7
81.07053	33.4
81.07529	1.9
83.08604	4.9
87.04444	1.1
90.22871	1.2
91.05469	11.3
93.07043	24.1
95.04967	3.8
95.08603	38.8
96.08967	1.2
97.06512	1.9
97.10154	2.1
105.07027	25.7
107.08592	37.2
109.06495	2.5
109.10152	23.5
109.52100	1.4
111.08060	1.6
117.07013	3.8
119.08578	33.6
119.85896	1.2
121.10142	26.6
121.10944	1.0
123.08099	2.1
123.11705	9.3
129.06982	3.4
130.07800	1.6
131.08569	11.6
133.10126	24.1
135.11679	12.6
137.09639	1.5
137.13255	8.3
142.07800	2.5
143.08571	7.3
144.09436	1.8
144.98241	1.1
145.10114	21.1
147.11674	25.1
148.12001	1.6
149.09564	1.7
149.13251	32.7
151.11183	1.8
155.08530	1.3
157.10109	9.9
159.11691	20.5
160.12218	1.7
161.13274	8.5
163.14821	42.9
165.12787	1.4
169.10153	2.9
170.10875	1.4
171.11691	7.8
173.13275	13.6
175.14816	11.9
177.16373	7.6
183.11618	2.3
185.13245	8.9
187.14801	14.7
189.16402	10.8
191.17960	1.7
193.15860	1.6
197.13187	2.6
199.14806	6.0
201.16376	14.2
203.14365	2.0
203.17940	10.4
205.15903	2.5
211.14838	1.9
213.16360	8.0
215.17928	12.9
223.16907	1.8
225.16393	3.3
227.17889	8.4
228.18690	2.5
229.19434	6.8
231.17410	1.7
231.20993	1.4
239.17943	2.2
241.19472	6.0
242.20287	1.3
243.21130	5.5
249.16449	1.1
253.19585	1.5
255.21077	17.8
257.18967	1.6
257.22617	3.1
261.18289	1.3
265.19443	2.2
267.21085	2.2
269.22632	10.5
275.20029	4.6
301.21552	16.0
303.90662	1.4
311.23746	1.6
329.24786	2.7
383.05240	1.4
389.32068	2.5
407.33005	9.1
425.10037	3.4
425.34103	100.0
426.34436	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03946	2.9
55.05517	14.2
57.07064	5.9
57.64442	1.7
59.05001	2.2
67.05507	35.3
69.03455	1.8
69.07058	25.7
69.59081	12.3
71.05000	3.1
71.08617	1.9
79.05492	27.4
81.07052	66.4
82.07394	1.9
83.04980	4.1
83.08604	9.9
85.06540	6.5
87.85718	1.9
91.05476	25.1
93.07043	63.9
95.04956	4.4
95.08602	100.0
95.71838	2.1
96.08920	2.0
97.06529	4.2
97.10162	4.4
101.06007	5.3
105.06315	2.8
105.07023	56.6
107.08587	94.7
108.08936	3.9
109.06541	4.4
109.10153	61.4
110.10486	2.8
111.08067	5.1
117.07014	6.4
118.54885	1.8
119.06078	1.7
119.08572	56.0
120.08914	3.9
121.06494	2.7
121.10137	62.7
122.10458	3.3
123.08100	6.6
123.11705	22.3
129.06981	4.8
131.08549	15.8
133.10129	47.6
135.08073	7.3
135.11685	42.8
137.09636	4.5
137.13275	7.6
143.08559	8.0
144.08054	2.9
144.09305	2.0
145.10112	28.3
146.10681	2.0
147.11678	33.8
149.09645	4.7
149.13257	49.7
151.07550	7.7
151.11203	2.7
157.10141	7.7
159.11682	25.0
161.09654	5.2
161.13232	27.8
163.11166	3.2
163.14809	38.6
165.09145	1.9
165.12685	3.3
165.16298	2.0
169.10089	3.7
170.10965	3.3
171.11720	8.0
173.13268	18.1
175.11270	2.0
175.14824	33.6
176.15109	2.2
177.12773	8.5
177.16380	42.0
178.19444	1.6
179.14244	2.7
183.11758	5.4
185.13258	10.9
187.14812	24.8
188.15189	2.4
189.12776	2.5
189.16376	32.7
191.10724	2.4
191.14343	7.2
191.17986	5.2
193.15904	7.5
195.13872	2.2
197.13362	2.5
199.14803	9.0
201.16307	14.2
203.14389	7.4
203.17944	37.6
205.15939	7.2
207.13844	3.3
211.14891	4.1
213.16513	8.6
213.18192	1.8
215.17931	14.6
217.15921	5.6
217.19537	7.1
219.13765	2.4
219.17442	2.7
221.15349	12.0
223.14685	2.3
225.16357	4.0
227.18019	5.2
229.16032	4.4
229.19553	8.9
231.17554	7.2
231.20970	10.2
233.19017	3.7
235.16864	4.4
241.19504	4.0
243.17441	2.0
247.16989	6.2
249.18536	6.5
251.17999	2.5
253.19370	2.1
255.21135	4.8
269.18942	2.6
269.22659	2.9
283.24170	2.6
293.22672	3.2
301.21625	2.2
311.23859	8.0
319.24194	2.2
321.25739	2.5
323.27542	1.8
329.24777	7.7
337.25400	2.4
361.09384	1.8
379.33878	2.1
389.31989	11.2
407.33054	30.3
408.33871	2.4
425.10040	2.6
425.15247	2.2
425.34174	93.7
426.34631	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	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03943	2.3
53.47831	0.9
55.05507	16.3
57.07063	3.6
58.26839	0.8
61.06656	0.9
65.03931	1.7
67.05504	27.1
69.03411	3.4
69.07064	20.0
69.48952	7.5
71.04987	2.0
76.17197	0.9
77.03909	1.0
79.05489	26.6
81.03428	2.6
81.07050	57.5
83.04974	2.4
83.08602	8.1
85.06577	1.2
91.05477	23.3
93.07039	55.3
94.07384	1.7
95.04971	4.3
95.08602	100.0
96.08927	1.9
97.06535	4.4
97.10172	3.7
99.04454	1.5
105.07024	58.6
106.07365	2.0
107.04932	1.9
107.08585	81.8
108.08886	1.4
109.02866	1.5
109.06506	4.8
109.10152	45.5
110.07106	1.0
110.10475	1.3
111.04461	4.1
111.08073	3.3
111.11724	1.1
115.05447	2.2
117.07004	15.0
119.08575	63.0
120.08907	1.7
121.06505	7.3
121.10136	54.3
122.10482	1.7
123.04443	1.2
123.08087	3.6
123.11687	14.1
125.09604	2.5
127.03878	1.0
127.07555	0.9
128.06190	1.6
129.06990	3.3
130.06499	1.4
131.08557	25.0
132.08899	1.3
133.10123	41.8
134.10483	1.4
135.04440	0.9
135.08096	5.4
135.11691	23.5
136.12039	1.1
136.86046	1.1
137.09608	2.3
137.13275	3.0
142.07816	3.2
143.08540	8.9
144.09343	1.9
145.10114	30.5
146.10634	1.3
147.08075	2.6
147.11674	35.9
148.11964	1.4
149.09595	4.4
149.12042	2.3
149.13248	36.2
150.13594	2.2
151.07549	1.4
151.11212	2.3
151.14738	1.1
153.09109	1.0
155.08545	2.9
156.09363	1.8
157.10114	9.4
157.23303	1.0
158.10849	1.6
159.08093	1.7
159.11684	30.5
161.09610	4.5
161.13251	26.6
163.11182	6.6
163.14819	28.4
164.15181	1.4
165.09181	1.8
165.16393	1.0
169.10098	3.3
171.11655	7.0
172.12427	1.0
173.13242	21.9
174.13631	1.6
175.11191	5.7
175.14815	41.7
176.15186	2.4
177.12808	5.6
177.16367	30.8
178.16777	1.3
179.14279	1.1
181.10124	1.7
181.12302	1.1
183.11690	2.7
185.13248	8.2
187.11324	1.9
187.14801	21.8
188.15192	1.3
189.12799	3.2
189.16376	31.1
190.16763	2.0
191.14302	20.6
191.17955	10.0
192.18336	1.4
193.12241	2.2
193.15913	3.0
195.11754	1.1
197.13304	3.2
199.14841	7.5
201.12730	1.3
201.16377	12.9
203.14323	31.0
203.17946	49.5
204.18294	1.6
205.15858	5.4
205.19568	3.5
211.14804	3.3
213.16319	5.8
215.14384	2.0
215.17944	7.5
217.15837	5.0
217.19382	4.9
219.13875	3.2
219.17479	1.7
221.13295	0.8
221.15349	18.2
225.16393	1.7
227.18021	3.2
229.15898	3.0
229.19473	2.0
231.17505	2.2
231.21150	3.5
233.15294	1.5
233.19003	1.2
235.16873	6.3
239.17972	1.5
241.19482	2.7
243.17473	2.6
243.21179	2.5
246.59795	1.1
247.17036	2.2
249.18501	2.3
251.17897	1.1
255.21046	2.2
257.22748	1.2
261.18448	1.1
269.22668	1.2
273.15005	1.0
283.24268	3.8
287.23788	1.1
293.22592	2.0
311.23819	5.0
323.27252	1.3
329.24756	4.8
355.26205	1.7
379.33606	7.2
389.32083	3.7
395.33145	2.3
407.33096	15.2
408.33322	1.4
425.25104	1.6
425.34177	53.8
426.34439	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.66155	1.6
53.03947	3.9
54.04146	1.9
55.05509	15.5
57.07058	3.8
65.03943	1.8
67.05508	33.6
69.07072	25.0
69.49188	14.1
69.52834	1.7
79.05486	21.8
81.07053	60.7
83.04958	5.1
83.08624	10.7
85.06505	2.7
89.06012	5.1
91.05469	20.7
93.07035	47.5
95.04977	4.4
95.08604	100.0
96.08919	3.3
97.06499	4.9
97.10185	4.7
98.21494	3.5
101.06026	2.0
105.07021	53.0
107.08588	76.5
108.08923	1.9
109.06505	3.0
109.10150	49.0
110.10429	2.7
111.08076	5.2
117.07024	5.8
119.08569	55.3
120.08931	2.2
121.06448	2.1
121.10135	61.6
123.08058	7.8
123.11694	18.2
125.09701	2.3
127.07546	3.8
131.08562	16.5
133.10120	44.4
134.10472	3.0
135.08058	7.9
135.11679	35.7
137.09598	4.5
137.13232	10.7
142.07785	3.2
143.08549	5.7
144.09329	1.8
145.10126	22.2
147.11688	33.4
149.09625	5.3
149.13261	30.8
151.07512	3.0
151.11156	3.2
156.09369	1.8
157.10162	11.5
157.54091	1.9
159.11676	27.0
161.09572	5.1
161.13260	30.3
163.11166	5.3
163.14839	22.8
165.12689	3.5
171.11688	11.5
173.13268	13.5
175.11147	6.5
175.14804	41.5
177.12784	4.7
177.16394	35.1
178.16734	1.8
179.10706	2.7
185.13297	9.6
187.11154	2.1
187.14819	19.1
189.12747	3.1
189.16370	36.6
189.17941	3.0
190.16748	2.1
191.14291	7.3
191.17921	19.2
193.12245	2.0
193.15848	2.6
197.13242	2.3
199.14780	6.6
201.12732	2.0
201.16370	11.2
203.14320	13.1
203.17943	34.0
204.18172	3.9
205.15858	7.8
205.19496	2.4
213.16342	5.2
215.14380	1.8
215.18016	11.6
217.15843	5.5
217.19496	6.3
219.13866	2.7
219.17485	2.0
221.15346	12.1
225.16379	2.7
227.17899	4.9
229.19473	5.4
231.17497	3.2
231.21034	2.2
233.15215	1.8
235.16930	9.2
239.14778	2.3
240.15216	3.3
241.19551	3.1
243.21031	2.1
247.16914	4.7
253.19609	2.7
255.21133	4.3
261.18613	2.2
311.23611	4.0
315.40323	2.0
323.27139	2.2
324.28052	2.7
329.24683	11.1
355.26450	4.8
363.30579	2.2
389.32132	2.3
397.30756	2.0
407.32950	12.7
425.10065	2.2
425.34052	89.8
426.34482	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.81306	1.0
53.03935	1.5
55.05504	11.7
57.03406	1.6
57.07064	4.0
59.04983	1.3
62.14001	1.0
67.05499	21.5
69.03423	1.5
69.07061	14.6
71.04979	1.6
71.08627	1.4
71.51229	1.4
76.64001	1.0
76.95895	1.1
79.05489	18.6
81.07051	43.7
81.07535	2.3
83.04977	4.5
83.08607	8.0
85.06529	1.9
86.09686	1.5
87.04438	1.2
91.05470	17.7
93.07037	36.2
95.04969	3.3
95.08598	55.5
97.06519	3.1
97.10154	3.0
103.05452	1.2
105.06310	1.8
105.07023	37.1
107.08585	47.5
107.09319	2.4
108.08900	2.4
109.06508	4.3
109.10143	31.4
110.02615	1.2
111.08079	4.2
115.05449	1.8
117.07028	7.5
117.07738	1.1
119.08575	45.2
120.08879	1.3
121.06471	1.5
121.10137	37.7
123.08075	4.3
123.11710	13.5
125.09619	3.4
129.06987	3.6
130.07751	1.5
131.08562	18.4
132.08926	1.1
132.19971	1.1
133.09126	2.5
133.10115	32.6
134.10448	1.2
135.08049	3.2
135.11678	14.3
137.09630	2.4
137.13237	6.6
139.11188	1.4
141.07019	1.3
141.78378	1.1
142.07832	3.3
143.08565	10.6
144.09386	2.4
145.10120	28.8
147.11673	26.9
149.09654	2.6
149.13251	31.9
150.13524	1.5
151.11172	3.2
155.08569	3.3
156.09390	1.9
157.10107	12.7
158.10895	1.9
159.11673	25.3
161.09633	1.9
161.13242	14.4
163.11232	2.3
163.14807	33.3
165.09122	1.1
165.12779	1.7
169.10146	3.6
170.10834	1.4
171.11674	12.2
172.12495	1.4
173.13255	16.8
175.11177	1.8
175.14824	18.1
176.15175	1.4
177.12715	2.3
177.16341	8.8
179.14323	1.1
181.05003	1.4
181.10147	1.5
183.11697	4.3
184.07356	1.7
185.13242	11.7
187.11215	1.5
187.14813	19.1
189.12837	1.7
189.16362	12.0
191.14317	2.7
191.17976	3.1
193.15990	1.4
195.11707	1.5
195.13861	1.5
197.13242	2.9
199.14795	6.7
201.16374	21.0
201.18063	2.0
203.14366	3.8
203.17957	12.5
204.26334	1.1
205.15892	7.2
205.19710	1.5
207.17422	2.0
209.13106	1.8
211.14886	1.9
213.16304	6.9
215.17918	12.0
217.15944	2.2
219.13814	1.9
219.17468	2.7
223.14816	2.2
225.16371	2.2
227.18013	7.6
229.19576	6.1
231.17482	2.1
235.17134	1.5
237.16458	1.7
239.18025	3.1
241.19484	5.5
242.20242	1.6
243.21091	3.5
249.18793	1.8
253.19492	1.6
255.21072	14.5
257.19009	1.2
257.22635	2.8
267.20993	2.4
269.22662	6.9
275.20151	3.2
279.21124	1.2
281.22705	1.3
283.24081	1.5
284.47852	1.2
293.22601	1.5
295.24240	2.2
301.21561	6.7
311.23697	2.4
319.23907	1.2
329.24753	3.9
355.26407	2.1
379.33887	1.4
389.32062	4.4
394.22525	1.1
407.33237	13.7
425.10031	3.7
425.34146	100.0
426.34442	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	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03949	2.6
55.01860	1.8
55.05509	10.8
56.07540	1.4
57.03446	1.5
57.07072	2.3
58.35275	1.2
67.05499	22.6
69.03422	2.7
69.07069	13.9
71.04984	2.9
71.52122	2.6
78.47932	1.4
79.05474	12.4
81.07051	32.3
82.07404	1.7
83.04987	2.5
83.08621	5.3
85.06544	3.4
85.97691	1.4
91.05466	16.8
93.07037	28.7
95.04995	3.7
95.08601	37.7
95.09190	2.8
97.06541	2.9
97.10158	3.1
105.07025	32.5
106.07404	1.5
106.80390	1.6
107.04950	1.7
107.08591	40.2
109.02834	2.0
109.06529	3.5
109.10156	24.2
111.08081	5.2
115.05466	1.9
117.07017	4.8
119.08582	38.3
121.06483	2.9
121.10135	30.9
123.04427	2.0
123.08068	1.5
123.11695	9.6
125.09666	3.3
128.06180	1.6
129.07033	4.6
131.08569	16.0
133.10127	27.2
135.08092	4.1
135.11694	19.7
137.09615	3.4
137.13272	4.6
142.07820	2.6
143.08557	9.4
145.10104	25.6
147.08038	2.3
147.11674	31.8
148.12067	2.2
149.02419	2.0
149.09634	2.5
149.13222	10.7
151.14870	1.5
154.79240	1.4
155.08578	4.4
156.09393	3.5
157.10114	11.7
158.10786	1.7
159.11705	18.2
160.12352	1.4
161.09673	2.4
161.13242	21.4
163.11162	4.3
163.14771	9.4
165.12804	7.0
169.10196	6.9
171.11687	9.4
173.13264	14.0
175.14830	15.3
177.16420	6.5
179.14310	14.5
183.11722	5.5
184.12549	1.7
185.13220	10.0
187.11101	2.1
187.14758	12.9
188.15038	1.7
189.12737	2.1
189.16377	11.0
190.16724	1.9
191.14352	3.9
191.18045	3.6
191.79030	1.5
195.11641	1.6
197.13298	6.5
199.14819	7.3
201.16316	8.7
203.14366	5.3
203.17941	5.2
204.14868	1.7
205.15898	8.4
207.17445	4.3
209.06108	1.9
209.13203	1.7
211.14896	4.6
213.16411	6.8
215.17993	4.6
217.15945	6.2
219.17525	6.3
223.14958	2.8
224.15543	1.7
225.16463	4.2
227.18051	3.3
229.15907	2.4
229.19554	4.1
231.17480	7.0
239.17868	2.4
241.19469	8.0
243.17740	1.5
243.21133	2.3
245.18970	3.6
253.19597	5.1
255.21057	3.7
257.19095	3.6
259.20609	6.9
263.07010	2.6
267.21173	4.5
271.20551	11.8
273.22131	2.4
281.09714	1.8
285.22110	17.8
286.22272	2.9
305.09790	3.0
309.09283	1.6
333.09134	3.0
336.07846	2.5
337.08664	4.5
351.10190	6.1
355.09711	3.1
361.08578	3.2
362.09100	2.3
363.10257	3.7
364.07300	2.9
365.08127	8.5
366.08755	6.6
379.09692	9.7
380.10138	2.5
381.07477	2.2
382.08102	2.8
383.09283	4.2
389.32150	4.8
397.10657	3.1
407.09167	17.4
407.33142	20.1
408.09485	5.1
425.10284	41.5
425.34238	100.0
426.10580	9.7
426.34546	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	425.1417
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
67.05509	0.4
69.03419	0.8
69.07059	0.4
70.06590	2.3
71.50638	0.4
72.97482	0.3
74.22191	0.4
81.03395	0.4
81.07043	0.5
83.08630	0.4
85.02885	0.6
85.06553	0.4
91.05482	1.9
91.51086	0.4
95.08580	0.7
97.02894	0.5
97.06535	0.4
102.36991	0.4
113.06033	0.3
120.08115	0.5
123.04427	1.1
127.03934	0.6
131.08589	0.4
153.01822	0.5
161.05984	0.5
161.68343	0.3
163.03961	0.6
177.05472	0.8
186.09000	0.4
216.06580	0.5
217.13507	0.4
236.46852	0.4
245.04437	0.6
245.12726	0.9
263.13992	1.5
271.81458	0.4
287.05396	0.4
293.09930	1.4
407.07587	0.5
421.87820	0.4
425.14157	100.0
426.14514	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1417
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
55.01861	0.7
55.33184	0.5
56.42868	0.5
59.94044	0.5
60.57245	0.5
64.20503	0.5
66.03564	0.6
67.05501	1.1
68.99751	0.6
69.03419	1.3
69.07046	0.7
69.07443	0.5
70.05589	0.5
70.06583	1.8
71.50902	1.0
74.36273	0.5
76.94250	0.6
79.05473	0.7
81.03394	1.2
81.07032	1.5
83.04517	0.6
83.04970	0.9
85.02898	1.5
85.06556	1.2
91.05474	2.9
91.16355	0.6
93.07029	1.6
95.04963	1.0
95.08614	0.7
111.04464	0.6
119.08588	0.7
120.08130	0.7
121.10167	1.0
123.04417	1.9
135.04408	0.8
136.07501	0.7
138.09137	1.9
147.04430	1.5
149.05959	0.8
161.05951	0.9
163.03836	0.7
166.08687	1.1
177.05511	1.8
179.03473	0.8
179.07063	0.6
181.04901	1.4
229.05119	0.7
245.04407	1.9
257.04587	0.8
263.05453	1.0
263.13843	2.0
273.07431	1.0
299.05389	0.6
311.09695	0.9
407.07660	1.0
425.14114	100.0
426.14609	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91067	0.3
53.99593	0.3
57.32905	0.3
67.32261	0.3
68.07558	0.4
69.03413	0.7
69.67548	2.2
70.99823	0.4
74.76100	0.4
77.00889	0.5
81.03369	0.5
82.99442	0.4
82.99883	1.1
85.02881	1.1
94.99852	0.5
97.02872	0.9
98.97575	0.3
101.00877	10.3
106.63306	0.5
109.02869	1.1
113.00874	1.4
119.01917	19.8
120.02039	0.5
127.02414	1.4
127.03903	0.7
129.04024	0.5
130.12459	0.3
131.01909	6.1
133.03476	0.6
137.02930	1.9
139.02397	0.6
140.54927	0.4
142.03505	0.5
143.01892	21.8
144.02037	0.5
145.03464	8.7
147.01329	0.6
147.04985	0.5
149.02945	1.0
153.01802	0.8
155.01874	9.7
157.03453	4.0
161.02953	37.2
162.03088	1.2
163.04535	0.9
167.01894	7.0
169.03461	2.9
171.01401	0.4
171.05037	1.9
173.02951	16.8
175.04416	1.6
179.01866	2.4
179.03979	0.5
184.04567	1.1
185.02948	29.7
186.03110	1.2
187.04567	3.2
189.06026	0.6
191.03983	4.5
196.04636	0.6
197.02946	10.5
203.04002	14.7
204.04312	0.6
208.04527	0.7
209.02911	1.1
215.04010	7.0
216.04184	0.5
221.05043	1.5
227.03999	6.9
231.02927	0.5
233.05063	1.0
238.42195	0.3
239.03998	0.8
245.05061	100.0
246.05260	4.3
255.66621	0.4
257.05048	6.1
258.48969	0.3
259.02432	0.4
263.06122	27.8
264.06381	0.7
275.06091	11.3
276.06400	0.6
277.03452	1.7
278.03745	0.7
286.07706	1.2
287.06357	0.4
293.07147	4.6
303.01349	1.3
305.07138	9.7
306.07568	0.4
313.67776	0.4
317.07324	0.5
335.08218	3.3
365.09293	6.8
366.09164	0.4
383.10611	0.5
403.01627	0.5
404.01501	0.5
425.06854	1.1
425.11966	2.9
425.17535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42571	0.5
51.74585	0.5
59.03070	0.5
69.25458	4.6
81.35230	0.6
82.99866	1.9
94.99837	0.7
97.02884	1.1
101.00873	11.1
109.02849	0.8
113.00892	1.9
119.01912	20.0
120.02022	0.8
127.02418	1.6
131.01898	8.0
134.49393	0.6
135.29048	0.6
137.02943	2.4
139.02411	0.7
143.01891	27.8
144.01968	0.8
145.03456	8.8
147.01393	0.8
155.01891	13.6
157.03455	5.3
161.02956	46.3
162.03139	1.3
163.04524	0.9
167.01892	6.5
169.03445	2.7
171.05025	2.0
173.02951	20.4
174.03339	0.7
175.04512	1.6
179.01872	3.7
179.03831	0.6
184.04579	1.4
185.02951	36.3
186.03044	1.2
187.04478	3.4
191.04018	4.3
196.04597	0.8
197.01178	0.5
197.02942	13.5
203.03995	16.5
204.04237	0.8
208.04539	1.0
209.02963	1.1
215.03983	8.2
221.04901	1.0
227.03958	8.2
233.05078	1.1
245.05064	100.0
246.05263	4.9
257.05020	5.1
263.06122	25.4
264.06277	1.2
275.06134	10.6
276.06210	0.7
286.07733	1.2
293.07187	4.3
305.07162	8.1
316.08725	0.7
335.08200	2.6
365.09299	5.1
425.05869	0.9
425.11377	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	424.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30252	2.1
59.04713	3.6
59.04999	56.4
61.71348	2.2
67.05502	16.3
69.03425	11.0
69.07056	8.7
71.04980	2.9
71.50980	3.9
77.15520	2.0
79.05466	6.6
81.03351	2.6
81.07044	8.0
83.04961	2.9
85.02901	4.2
85.06541	2.4
91.05449	5.3
93.07030	8.7
95.04935	5.9
95.08601	46.4
97.02873	4.4
97.06538	18.7
103.14423	2.0
105.07003	8.1
107.04922	2.4
107.08570	3.2
108.29948	2.0
109.02879	46.2
109.10152	51.2
110.07188	4.0
117.01760	2.1
119.04972	1.9
119.08587	21.7
121.10135	26.8
122.10484	2.9
123.04415	2.4
123.08065	64.8
125.05963	4.8
127.03954	2.4
131.82002	2.3
137.09625	39.7
138.09969	2.6
139.11168	7.5
141.09106	17.1
144.68036	2.2
147.04445	3.8
147.08040	7.5
149.09567	2.2
155.26248	2.2
163.07631	2.3
165.09120	36.6
181.05040	3.3
183.10170	100.0
184.10513	4.2
197.03014	2.4
201.11263	9.9
203.03413	2.2
209.11678	3.9
227.12823	7.5
244.09709	4.4
245.13734	2.9
262.10626	3.7
273.07510	2.6
327.14383	4.8
345.15353	9.3
390.94943	3.2
403.05231	2.7
425.15552	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
54.24210	1.8
55.01862	5.0
55.05512	8.4
57.03420	3.0
57.07067	2.3
67.05509	12.9
69.03417	6.9
69.07066	23.1
71.05002	4.3
71.08630	3.3
72.73665	2.1
73.02898	5.8
73.30872	1.7
76.13338	1.8
79.05503	5.9
80.18428	2.3
81.03439	4.2
81.07056	32.8
82.07383	2.0
83.04977	7.1
83.08613	7.0
84.04504	7.1
85.02908	23.4
85.06534	7.3
85.10152	2.4
89.79161	1.9
91.05478	7.8
93.07027	13.1
94.07346	2.4
95.04941	4.6
95.08611	14.4
97.02892	2.9
97.06514	6.2
99.04430	5.5
101.02381	8.1
101.62091	2.1
105.07030	20.7
107.07931	3.5
107.08566	16.2
109.02859	8.0
109.06517	7.2
109.10165	4.5
111.04436	2.2
111.08132	2.3
115.07656	2.2
117.07040	4.1
119.08586	15.2
120.08914	3.1
121.06481	2.3
121.10130	17.3
123.04430	6.6
123.08071	8.0
123.11714	30.3
124.12095	2.4
125.09665	2.4
127.07539	6.8
131.08572	4.1
132.08917	2.6
133.10126	6.0
134.10437	2.5
135.08080	3.0
135.11685	4.3
137.05962	9.5
137.09616	3.6
139.03877	5.2
141.09035	2.5
145.06465	2.4
145.10117	3.2
147.04462	2.7
147.08064	5.2
147.11670	30.5
151.03969	2.3
155.14294	6.7
157.10103	3.0
159.08003	2.3
159.11687	3.4
161.05942	2.5
161.13354	2.1
163.03893	3.2
163.11208	4.7
165.12769	21.6
171.11726	3.6
173.13293	3.3
175.11270	2.1
177.05530	2.6
183.13802	100.0
184.14163	2.7
187.14774	2.5
201.14856	80.3
203.06898	2.2
203.14296	3.4
207.06436	4.3
215.77010	1.9
217.76701	2.0
225.05522	3.2
239.06955	2.1
265.12787	2.4
269.08051	5.0
299.46823	2.3
323.61032	2.2
401.93677	3.1
406.08502	2.3
407.10809	2.4
424.09106	3.8
424.32919	5.1
425.08716	4.9
425.20590	2.3
436.47791	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	424.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.4
56.96570	12.4
61.02926	9.4
69.03417	22.0
69.07039	10.6
69.77573	11.9
69.77985	38.4
70.06591	82.6
74.07277	9.1
81.03419	9.9
85.02905	62.1
91.05476	12.3
97.02880	22.0
98.06087	12.4
98.21493	9.8
98.97559	19.6
101.36460	7.9
103.05456	16.6
107.04944	9.4
109.02863	11.5
112.07597	82.3
121.02858	7.3
121.06503	25.2
123.04443	11.2
124.07577	30.9
127.03904	16.1
130.06509	18.2
131.04941	16.6
131.49232	7.3
133.02820	26.8
137.05972	23.5
140.07083	42.6
145.04987	10.0
147.04378	12.2
149.05951	32.2
153.01820	17.9
157.07582	21.4
158.08102	22.2
159.04395	11.8
160.07533	10.2
163.03946	10.0
165.05452	32.8
167.07054	58.9
172.07622	8.6
176.04741	11.4
177.05492	89.9
182.05756	10.5
185.07104	15.5
189.10080	10.2
189.77083	7.1
197.08116	82.0
199.08615	10.6
203.08131	21.8
209.08096	100.0
217.09720	10.6
227.09006	43.7
230.08122	9.1
237.02945	14.6
244.10822	11.8
245.04895	15.1
245.09198	14.9
262.11844	30.0
277.03555	9.5
303.01196	16.9
365.13589	10.4
424.16910	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.05513	17.8
57.03428	2.3
57.07063	6.3
58.77696	1.2
59.04986	3.1
67.05502	46.9
69.03416	1.9
69.07066	26.4
70.32114	1.5
71.04976	7.1
71.08614	2.2
79.05495	17.9
81.07053	61.5
83.04939	2.8
83.08616	17.0
85.06510	2.1
91.05472	23.9
93.07040	40.1
95.04968	2.5
95.08604	69.8
97.06490	3.7
97.10162	5.5
98.11872	1.5
98.21474	3.5
98.97570	2.1
99.08092	4.5
105.07033	42.1
107.08590	60.7
109.06509	2.7
109.10154	69.4
110.10491	2.1
111.08060	3.3
111.11730	2.1
117.07038	9.0
119.08578	78.4
121.10137	52.9
123.11692	20.7
125.09615	5.7
127.11170	13.3
128.06129	1.8
129.06998	4.7
130.07764	4.4
131.08557	20.3
133.10120	41.4
135.10696	2.9
135.11676	35.3
137.09549	2.2
137.13322	8.3
142.07733	4.0
143.08551	10.4
144.09314	7.2
145.10115	75.1
146.10419	2.1
147.11674	43.0
149.13254	26.9
155.08582	2.4
156.09355	3.7
157.10112	14.8
158.10875	3.9
159.11688	100.0
160.12022	3.6
161.13232	22.7
163.14804	12.6
169.10034	2.7
171.11655	13.4
172.12346	2.9
173.11795	3.7
173.13232	26.5
175.14821	15.9
177.16382	6.4
179.14363	2.2
183.11707	6.7
185.13206	8.0
187.14809	67.9
188.15182	2.8
189.16376	36.1
190.10988	1.7
191.17937	29.9
193.15915	1.8
195.13712	2.1
197.13266	4.3
199.14777	7.1
201.16393	29.3
203.14250	2.0
203.17944	20.3
205.15910	2.9
205.19540	2.1
207.17424	5.7
209.13228	2.4
211.14792	3.6
213.16365	36.3
215.17934	34.1
217.15915	1.9
217.19504	9.4
219.17383	4.0
227.17924	8.7
229.19586	3.6
231.17532	3.1
233.18933	9.2
239.17955	2.6
241.19489	2.7
243.21045	2.7
253.19455	3.8
255.21051	4.9
257.22531	2.8
267.21030	4.6
269.22546	2.0
295.24191	3.6
321.25729	2.0
327.26703	2.0
337.28864	4.5
346.47894	1.6
405.35410	21.8
406.35599	2.2
423.08493	1.9
423.27170	10.6
423.36557	71.7
424.27478	2.8
424.36703	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.8
57.03430	2.4
57.07080	11.2
59.04979	2.4
59.29958	2.0
67.05503	72.3
69.03426	2.6
69.07065	34.5
70.67920	5.1
70.68300	4.3
71.04980	10.5
73.35869	2.0
79.05489	24.9
81.07052	64.3
83.08623	17.0
86.70283	2.3
91.05461	27.8
93.07039	67.7
95.04926	4.0
95.07990	4.2
95.08602	79.7
96.08911	2.8
97.06511	4.2
97.10163	4.7
99.08096	4.2
105.07026	51.0
107.07880	4.4
107.08584	66.9
108.08878	3.8
108.33453	2.5
109.06516	2.9
109.10152	90.2
111.08063	3.5
111.11687	2.8
117.07004	9.5
119.08574	88.8
121.10133	59.1
122.10402	2.6
123.08084	3.9
123.11691	29.6
125.09614	3.9
127.11173	9.5
129.06993	2.3
130.07719	2.8
131.08572	29.9
133.10124	52.9
135.07962	2.5
135.11687	44.3
137.09608	2.5
137.13226	5.8
142.07765	4.6
143.08553	11.8
144.09312	8.3
145.10115	82.2
146.10370	2.7
147.11670	57.2
149.13274	24.1
151.11157	2.6
156.09366	5.6
157.10146	14.3
158.10858	3.4
159.11682	100.0
160.12004	2.9
161.13219	19.1
163.11136	3.4
163.14806	17.0
170.10857	2.7
171.11647	17.5
173.11740	6.8
173.13226	36.3
175.14847	15.8
177.16354	6.1
181.04941	2.6
183.11687	8.2
184.12395	2.7
185.13235	11.1
187.14815	65.5
189.16383	41.3
191.17918	30.1
195.13759	3.1
197.13255	6.8
199.14815	8.4
201.12743	3.7
201.16383	30.5
203.17924	23.8
205.15903	3.7
205.19368	2.7
207.17390	9.7
209.13194	2.3
211.14755	4.4
213.16368	30.9
215.17952	38.9
217.19458	16.8
219.17461	2.7
225.16379	3.3
227.17976	6.6
229.19478	3.9
231.17368	3.5
233.18884	11.5
239.17924	3.4
241.19472	7.5
243.21053	6.4
253.19452	6.9
255.21040	5.8
257.22571	3.4
267.20996	5.6
269.22552	6.7
281.22601	4.9
283.24240	2.8
293.22540	3.5
295.24155	3.0
327.26971	2.8
337.28778	3.2
349.28876	3.7
405.35400	24.4
423.27249	13.3
423.36676	79.4
424.36700	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.07071	2.6
59.48964	1.9
65.03949	2.2
67.05500	14.8
69.06796	1.9
69.07070	20.3
69.34792	3.3
69.35203	15.8
71.08631	1.9
72.65826	2.3
75.00650	2.0
79.05486	11.4
81.07051	40.1
83.08591	6.3
91.05488	11.2
93.07047	25.1
95.04916	2.7
95.08604	63.7
97.10173	4.2
105.07014	23.8
107.08590	45.4
109.10152	38.9
111.11753	3.0
117.07028	3.7
119.08575	34.1
120.16888	2.0
121.10136	37.2
123.11695	16.1
129.06976	2.5
131.08559	11.1
133.10117	24.9
135.11696	18.2
137.13194	12.0
143.08534	6.4
145.10110	16.5
147.11664	18.1
149.13268	15.0
151.14864	2.3
156.09338	2.0
157.10118	8.2
158.10872	2.2
159.11703	14.7
161.13301	17.1
163.14867	9.9
169.10146	2.7
171.11722	7.3
173.13245	14.9
175.14807	18.1
177.16354	9.6
179.14291	4.1
183.11723	3.5
185.13333	6.0
187.14790	9.8
189.16403	8.0
191.17970	15.8
193.15828	3.8
197.13272	4.4
199.14833	4.8
201.16385	10.2
203.17889	4.4
205.19563	3.4
206.85310	2.2
211.14946	4.2
213.16408	10.5
215.17949	6.8
217.19533	4.3
219.17374	2.1
225.16353	2.6
227.17960	5.2
229.19461	12.3
231.17511	4.3
231.21069	6.7
241.19562	5.8
243.21025	9.4
245.19084	2.9
245.22635	2.3
255.21039	5.0
257.22574	6.1
259.20728	2.8
267.21136	6.4
269.22739	7.2
281.22711	4.3
283.24365	3.1
285.22458	2.8
295.24103	4.7
297.25687	5.0
335.27496	4.7
349.28888	2.9
405.35208	50.7
406.35580	4.1
423.31799	4.7
423.36209	100.0
424.36197	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01879	3.0
55.05506	19.8
57.03429	3.2
57.07080	7.0
59.67552	1.9
65.03941	2.9
67.05502	64.7
68.44561	1.8
69.07067	23.6
69.07414	1.8
71.05009	5.6
72.58706	2.1
77.03967	1.8
79.05486	26.9
79.05907	2.0
81.03426	3.1
81.07053	65.9
83.05009	2.3
83.08611	17.9
83.08983	1.5
85.06554	2.1
87.57116	1.8
91.05474	26.0
91.06008	2.1
93.07037	49.7
95.05004	4.2
95.08603	73.8
96.08963	1.8
97.02960	2.6
97.06554	5.9
97.10199	6.8
98.21636	3.8
99.08099	2.7
105.07030	39.4
105.07698	2.6
107.08584	54.5
107.09297	2.8
109.06542	6.3
109.10150	72.3
110.10492	2.4
111.08076	3.9
115.05359	1.9
117.07066	7.4
119.08566	59.7
120.08908	2.2
121.10134	54.4
123.08099	6.4
123.11698	16.9
125.09689	3.6
127.11172	9.2
129.07027	3.3
130.07851	1.7
131.08545	22.2
133.10126	43.2
133.11078	2.7
135.08118	2.9
135.11682	37.9
136.12044	2.2
137.09639	3.2
137.13269	10.1
143.08549	8.9
144.09315	2.6
145.10121	42.7
145.11140	2.6
146.10576	2.8
147.11688	38.1
147.12788	2.5
149.09625	2.7
149.13254	27.5
151.11227	2.1
155.08562	3.2
156.09360	2.8
157.10130	10.4
158.10934	3.5
159.11684	62.7
160.12114	2.6
161.13240	23.2
163.14772	14.9
165.36958	1.8
169.10159	4.6
171.11665	10.0
173.11795	7.8
173.13350	22.3
175.11472	2.4
175.14790	15.7
177.12929	2.4
177.16457	8.2
179.14293	12.9
183.11775	5.5
185.13356	8.2
187.14803	37.8
188.15173	2.1
189.16344	24.8
191.17902	16.4
195.11777	2.8
195.13895	2.2
197.13277	4.6
199.14937	5.8
201.12839	3.4
201.16380	34.2
201.18015	2.5
203.14388	2.4
203.17929	22.7
203.19437	1.9
207.17569	7.4
209.13206	2.3
211.14980	5.5
213.16379	17.3
215.17932	29.0
217.16127	2.0
217.19614	8.4
219.17532	3.1
225.16534	4.2
227.18118	7.3
229.19650	6.0
229.31374	2.8
233.19083	5.3
239.18060	3.8
241.19606	7.0
243.21129	4.4
253.19815	5.2
255.21317	6.8
267.21170	3.1
269.22891	6.4
273.22098	2.5
281.22867	2.7
283.17197	2.0
283.24265	3.4
285.22174	1.9
286.43716	2.0
321.25778	2.3
327.26895	2.0
331.22754	2.7
331.26321	3.9
337.28976	1.8
405.31781	3.4
405.35666	16.1
423.27390	11.6
423.31891	16.8
423.36563	100.0
424.36923	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05508	9.6
55.61563	1.8
57.07071	3.4
67.05511	12.0
67.74586	1.6
69.07069	25.3
70.65488	3.2
70.65841	4.1
79.05486	6.9
81.07056	34.0
83.08634	10.5
83.90604	2.0
91.05480	7.7
93.07043	17.5
95.08604	55.8
97.06514	2.8
97.10149	4.2
105.07029	18.3
107.08582	34.4
109.10145	43.9
109.10851	3.2
111.11713	4.0
117.07013	2.3
119.08573	26.0
121.10136	33.4
123.08070	2.1
123.11694	18.6
129.06985	2.0
131.08580	7.4
133.10121	25.8
135.08014	1.9
135.11684	21.3
137.09663	2.3
137.13249	13.4
139.11203	2.5
143.08563	6.3
145.10107	14.6
147.11687	17.3
149.13269	7.9
157.10103	11.2
159.11661	15.5
161.13277	12.0
163.14830	3.7
169.10170	3.6
170.15579	1.7
171.11713	11.2
173.13264	12.8
175.14790	9.0
177.16362	14.7
178.16753	1.9
179.14288	4.1
179.17978	2.6
183.11710	5.6
185.13277	8.1
187.14838	7.5
189.16386	22.7
191.17918	33.0
193.15927	2.3
197.13307	6.0
199.14828	5.9
201.16379	6.4
203.17944	11.7
207.17467	5.1
211.14886	4.4
213.16286	9.4
215.17900	11.1
217.15860	2.0
217.19533	12.0
219.17500	2.9
225.16460	2.6
227.17903	8.4
229.19475	6.1
231.17455	4.8
231.20976	2.6
233.19049	4.6
239.17960	3.9
241.19464	8.1
243.21034	3.5
245.19052	5.9
253.19492	4.0
255.21043	5.0
259.20541	4.9
267.21091	6.7
269.22675	6.9
271.20496	4.5
273.10272	2.0
285.22137	11.2
287.47806	2.2
295.24203	4.6
297.25839	4.2
299.23511	1.8
309.25693	2.6
313.25305	4.1
321.25665	2.7
335.27261	4.1
337.28937	4.3
349.28683	2.6
392.65305	2.0
405.29773	3.6
405.35153	76.6
406.35416	6.6
423.36234	100.0
424.36609	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	423.3618
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03935	1.1
54.21872	1.1
55.05503	7.1
57.07055	2.8
60.22743	0.8
67.05502	10.5
69.03402	1.1
69.07064	13.9
69.70238	3.3
69.70670	3.7
72.64999	0.9
77.03889	1.0
79.05492	5.8
81.06593	1.8
81.07052	28.2
83.08607	4.7
91.05480	8.3
93.07038	18.2
95.04942	1.6
95.08601	40.8
96.08968	1.0
97.06496	1.0
97.10149	2.3
98.21474	2.0
105.07028	17.3
107.08585	22.7
109.06499	2.0
109.10151	17.4
111.11705	2.8
117.07047	2.6
119.08572	20.2
121.10131	15.5
123.07990	2.3
123.11699	12.6
129.06973	1.4
131.08592	6.0
133.10107	14.9
135.11679	10.5
137.13235	11.9
143.08534	3.4
143.31075	0.9
145.10110	9.1
147.11679	13.6
148.99550	1.0
149.13260	8.9
151.14856	0.9
155.08517	1.0
157.10130	4.4
158.10907	1.4
159.11687	11.3
160.12134	1.0
161.13271	12.3
163.14809	3.4
169.10118	2.7
171.11685	6.3
173.13277	9.0
174.01387	1.2
175.14827	6.4
177.16408	3.5
179.14330	2.9
183.11684	3.5
185.13266	4.9
187.14835	5.7
189.16354	2.9
191.17993	2.3
197.13283	3.4
199.14786	3.3
201.16380	3.8
203.17975	1.8
211.14825	3.6
213.16379	3.0
215.18028	3.4
217.19661	1.6
219.17503	1.6
225.16420	2.2
227.17938	3.9
229.19518	3.1
231.17566	1.7
231.21066	2.0
233.19031	1.7
237.16310	1.1
241.19550	4.0
243.21056	3.5
245.18936	1.4
245.22617	3.1
253.19630	1.3
255.21030	3.8
257.22580	4.1
267.20999	5.1
269.22565	5.4
271.24240	2.8
273.22168	1.4
281.22720	1.2
283.24158	6.5
285.22235	3.2
295.24100	1.2
309.25836	1.8
321.25729	1.6
335.27267	2.2
337.28781	1.3
349.28488	1.2
363.30194	1.3
377.31845	1.3
405.35162	24.9
406.35376	3.5
423.31729	4.3
423.36206	100.0
424.36588	8.9
425.89606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	glochidone
Peak:m/z	Relative Intensity
55.05508	11.3
57.07077	6.0
61.45265	2.2
61.67812	2.1
65.03941	2.4
67.05496	18.4
69.07054	26.9
69.25378	13.8
69.25799	10.5
71.24104	2.2
79.05502	13.1
81.07050	54.2
83.08614	12.2
86.09697	3.0
91.05460	13.0
93.07033	33.5
95.04951	4.0
95.08604	77.5
97.10183	6.5
98.21548	4.3
101.49472	2.7
105.07016	31.6
107.08579	50.6
109.06529	3.4
109.10156	53.6
109.10861	4.6
111.11726	4.5
113.17551	2.2
117.07054	4.6
119.08572	49.5
121.10136	48.8
123.08090	2.8
123.11698	25.0
127.39986	2.4
131.08594	11.3
133.10117	38.2
135.11688	35.7
137.13248	9.9
139.11179	2.3
143.08524	4.8
145.10124	25.1
147.11668	24.3
149.13261	21.5
151.14819	3.4
157.10165	10.8
159.11671	27.6
161.13257	23.4
163.14793	18.2
171.11746	9.9
173.13200	19.2
175.14862	15.4
177.16408	23.0
179.14273	5.1
185.13278	7.8
187.14836	15.0
189.16360	28.0
191.14259	3.5
191.17946	18.0
197.13330	4.4
199.14857	8.4
201.16374	12.5
203.17967	21.0
205.15939	8.8
205.19510	5.7
207.17470	3.7
211.14897	4.2
213.16362	5.7
215.17932	15.3
217.19504	18.7
225.16454	4.4
227.17911	6.9
229.19507	15.1
231.17511	3.0
231.21159	3.6
233.18961	4.7
239.17967	4.1
241.19501	6.0
243.21077	22.4
245.22697	5.8
247.20634	5.2
253.19543	3.0
255.21063	5.3
257.22690	7.1
261.22092	2.7
267.21127	2.8
269.22617	25.8
273.22235	2.6
281.22794	3.3
283.24246	7.4
335.27206	2.5
395.37170	3.6
405.35193	36.4
423.36252	100.0
424.36530	9.1
446.56839	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.9
57.07059	1.8
63.81086	1.0
67.05494	9.4
69.07065	11.8
69.35918	1.2
70.65317	3.2
71.08624	1.0
79.05489	7.6
81.07056	18.9
83.08617	6.7
85.06521	1.1
86.09713	1.6
91.05484	9.7
93.07042	20.8
95.08611	28.6
97.06513	1.3
97.10145	3.5
105.07035	12.7
107.08587	34.8
109.10157	22.3
111.08049	2.2
111.11707	2.3
117.06998	2.8
119.08581	17.5
121.10133	25.1
123.08040	1.4
123.11690	7.7
131.08498	5.3
133.10120	17.4
135.11699	17.5
136.11913	1.0
137.13240	4.3
143.08562	3.9
145.10109	15.0
147.11682	15.7
149.13252	19.8
151.14853	1.6
157.10120	3.5
159.11707	17.0
161.13237	8.8
163.14809	11.8
165.12749	1.6
169.10132	1.8
171.11691	4.8
173.13255	16.4
175.14854	7.5
177.16382	12.1
179.14328	1.8
183.11697	1.9
185.13249	4.0
187.14839	6.7
189.16399	4.5
191.17964	2.6
193.16048	1.3
197.13303	2.3
199.14810	4.4
200.15536	1.3
201.16435	5.1
203.17952	4.0
211.14819	1.9
213.16431	4.2
215.17894	5.0
217.07159	1.0
217.19505	1.4
219.17409	2.0
225.16318	1.3
227.17928	4.1
229.19537	6.4
231.17535	1.7
239.17961	1.5
241.19522	4.4
243.21062	13.7
245.22638	1.5
247.20605	3.2
253.19511	1.7
255.21034	5.3
257.22684	3.7
259.20526	2.8
261.22113	10.6
267.21072	7.5
269.22635	25.3
271.24179	7.3
273.22159	2.2
281.22668	3.4
283.24222	11.0
285.22168	18.5
295.24164	1.4
297.25598	1.8
309.25760	3.9
311.27188	5.3
313.25259	2.2
335.27206	1.9
337.28799	2.7
339.30588	1.4
349.28787	1.9
405.35141	30.3
405.40298	1.9
406.35526	2.4
423.36215	100.0
424.36688	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	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.01875	1.4
55.05503	17.0
57.03431	3.8
57.07071	6.1
59.04996	3.7
63.05732	1.2
63.59376	1.1
63.77658	1.4
64.09291	1.3
65.03935	2.4
67.05503	66.7
68.05844	2.0
69.03442	2.3
69.07066	31.9
69.47760	4.5
69.48193	4.3
71.04995	2.4
79.05025	1.4
79.05489	28.4
81.03411	2.8
81.07052	73.8
83.05000	2.3
83.08618	17.1
85.06524	3.1
91.05473	22.9
93.07041	45.5
95.04966	2.5
95.08601	81.0
96.08959	1.9
97.02897	5.4
97.06520	4.5
97.10158	8.6
99.04454	1.9
99.08084	2.6
105.07026	37.2
106.07461	1.4
107.08586	59.2
109.06544	2.4
109.10152	62.5
110.10509	2.3
111.08094	5.1
111.11708	4.1
115.05428	1.4
117.07028	8.5
117.07742	1.3
119.08578	42.1
121.06573	1.4
121.10139	42.9
123.08087	2.7
123.11707	23.6
125.09558	3.1
127.03926	4.5
129.06967	3.2
131.08565	16.2
133.10118	34.2
133.11104	2.5
135.08104	1.5
135.11684	29.6
137.09625	2.5
137.13245	13.6
143.08527	7.8
145.10118	23.2
147.11688	27.4
149.09624	2.2
149.12059	2.0
149.13252	41.2
150.13557	1.2
151.14824	4.0
155.08586	4.3
156.09378	1.5
157.10094	9.0
158.10846	1.3
159.11690	27.2
160.12256	1.7
161.09589	1.8
161.13239	20.5
163.14809	18.5
165.12727	2.2
169.10043	2.5
171.11674	7.9
173.11765	6.3
173.13284	18.4
175.14813	24.2
175.16299	1.6
177.12822	2.1
177.16382	16.6
179.14352	4.5
181.10121	1.7
183.11684	5.9
185.13286	8.2
187.14799	19.9
189.16385	15.6
191.14435	1.7
191.17917	10.2
193.15897	2.8
195.11778	2.0
195.13721	2.4
197.13268	4.4
199.14758	7.0
200.15588	1.5
200.43388	1.6
201.16367	18.7
203.14290	2.4
203.17943	23.5
205.15878	2.5
205.19566	3.1
207.17493	1.8
209.13367	1.7
211.14876	4.3
212.15649	1.6
213.16341	8.9
214.17274	1.8
215.17963	13.9
217.15848	2.0
217.19611	4.9
219.17404	2.8
219.21124	1.6
223.86787	1.2
225.16418	3.9
226.17151	1.7
227.17987	6.4
229.19484	12.9
231.17439	3.0
231.21092	5.2
233.19008	6.1
237.16389	1.3
239.18105	3.9
241.19533	6.8
243.21089	22.3
245.22717	3.9
247.20648	2.1
251.17923	1.2
253.19655	3.6
255.21130	10.6
257.22662	6.2
259.20682	4.0
261.22214	5.2
267.21133	6.3
269.22601	11.9
271.24268	3.4
273.22189	4.3
281.22699	4.5
283.24274	4.0
285.22256	5.3
287.23709	2.1
295.24203	2.9
299.20462	1.3
299.23761	2.8
309.26001	1.9
311.27258	1.8
323.27255	1.7
349.28918	3.2
363.30212	1.6
365.28152	1.4
377.31912	2.2
395.36993	3.2
405.35211	29.3
406.35718	2.2
423.27713	17.5
423.36307	100.0
424.36929	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.15616	1.9
55.01844	2.0
55.05507	17.0
57.07079	6.3
57.63498	1.8
58.20266	2.1
67.05499	51.2
67.05836	3.2
68.93954	1.8
69.07070	29.9
69.40929	8.5
69.41367	8.2
79.05486	21.1
81.07056	72.3
81.07525	3.7
83.08620	14.3
84.34100	2.1
85.06559	5.8
91.05478	22.0
93.07039	55.2
95.04996	6.6
95.08601	100.0
97.06541	3.0
97.10197	6.6
105.07039	41.6
105.07703	3.2
107.08589	66.4
107.09292	4.1
109.06567	4.0
109.10151	68.8
111.08073	5.0
111.11755	2.8
114.21809	2.2
117.07042	5.5
119.08580	60.2
121.02901	4.8
121.10146	62.9
123.08079	2.9
123.11693	28.4
123.12454	2.0
125.09655	2.8
129.07059	3.5
131.08582	17.8
133.10129	42.2
135.11699	35.4
137.13211	9.6
142.07828	2.4
143.08617	8.0
144.09451	2.4
145.10120	30.9
147.11674	41.3
149.13254	47.7
149.14368	3.4
151.14886	2.5
155.08643	2.1
157.10194	6.1
159.11684	28.4
161.13271	24.2
163.14832	21.0
169.10240	3.2
171.11771	6.9
173.11859	2.4
173.13235	19.8
175.14873	20.7
177.12694	2.7
177.16389	15.6
183.11760	3.3
185.13339	9.2
187.14857	17.5
189.16380	24.3
189.17909	2.6
191.17932	23.0
191.19334	2.1
192.18471	2.7
195.14008	2.0
197.13290	3.7
199.14926	7.5
201.16376	26.9
203.17976	30.6
203.19714	2.2
205.16048	3.9
205.19588	7.7
207.70013	2.1
211.14978	4.6
213.16486	7.6
215.17952	24.5
217.19485	17.9
217.21312	2.1
225.16469	4.3
227.17979	4.4
229.19679	7.0
231.17508	3.5
231.21062	4.3
233.19113	7.2
239.18199	2.1
241.19615	4.7
243.21219	8.5
245.22740	2.5
253.19809	2.5
255.21251	7.2
257.22623	3.3
259.20822	4.4
267.21164	3.9
269.22797	5.6
271.24350	4.9
273.22134	5.1
290.51645	2.1
303.06622	2.7
309.26047	2.7
321.09238	2.6
323.27325	2.3
327.27209	2.7
343.99197	2.1
364.07281	2.3
377.08530	2.9
393.35254	6.0
395.36954	4.3
405.07852	2.5
405.35284	21.5
406.35672	2.5
423.08575	25.9
423.27380	9.2
423.36514	83.9
423.42126	4.3
424.09399	8.4
424.36777	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.05506	24.7
55.43921	2.5
57.03435	3.6
57.07061	10.7
67.05503	81.7
69.06693	3.0
69.07063	43.3
71.03807	6.5
71.04988	3.0
74.30183	2.6
75.18679	2.2
79.05483	30.9
81.07050	83.2
83.04972	5.9
83.08617	27.4
83.74673	2.4
85.06530	8.1
91.05474	33.8
93.07037	65.3
93.98169	2.6
94.04984	2.4
95.04955	7.0
95.08602	94.6
97.06516	7.9
97.10159	5.9
99.08073	4.1
105.07030	54.9
107.08587	80.8
109.06512	5.4
109.10152	100.0
109.11721	2.9
110.10442	3.2
111.08088	14.2
111.11692	3.3
117.07004	12.3
119.08573	72.6
120.08903	2.6
121.06493	3.7
121.10136	64.3
123.08070	9.3
123.11699	29.6
125.09635	4.2
129.07051	3.2
131.08537	19.2
133.10123	49.9
135.11688	41.3
136.12103	3.3
137.09604	9.1
137.13237	13.5
143.08537	11.8
145.10118	35.7
147.11673	45.6
149.13261	34.6
155.08568	7.2
155.10602	3.6
157.10103	10.9
159.11671	39.2
161.09607	2.9
161.13235	31.8
163.11128	3.9
163.14813	16.4
165.12697	4.4
169.10091	6.1
171.11662	10.6
173.11719	11.8
173.13255	18.6
175.14832	20.5
176.15207	3.0
177.12769	6.4
177.16365	10.9
177.78802	2.8
179.14391	4.2
183.11670	6.0
185.13254	10.3
187.14868	24.6
189.12648	3.8
189.16373	22.6
191.14267	3.4
191.17902	24.8
195.11893	2.6
195.13744	6.0
197.13290	7.4
199.14787	8.3
201.12701	3.4
201.16371	23.1
203.17943	26.7
205.15816	3.0
205.19469	3.6
211.14801	5.7
213.16312	10.3
214.05975	3.4
215.17847	16.1
217.15852	3.7
217.19508	10.6
219.17426	16.5
225.16348	4.0
227.17908	7.0
229.19432	9.8
231.17433	4.1
239.17892	3.2
241.19633	5.5
243.20993	5.3
245.19026	4.8
255.21028	8.2
257.22635	3.9
265.19540	4.9
267.21085	3.6
271.20605	3.1
271.24164	2.6
273.21918	4.3
285.22653	3.2
297.25656	8.1
405.30530	3.5
405.35648	15.4
405.39539	3.0
423.08527	5.3
423.27191	20.2
423.36716	93.9
424.09085	3.8
424.27634	5.3
424.36438	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05507	17.0
57.03414	3.9
57.07065	6.1
58.89989	1.4
59.04985	2.6
65.73528	1.5
67.05504	52.1
67.79717	1.6
69.07069	30.2
69.51038	7.0
69.51454	5.0
71.04967	1.7
71.08637	1.5
77.03906	1.6
78.38090	1.4
79.05491	28.7
81.03423	1.7
81.07056	68.5
83.04967	3.0
83.08615	12.4
85.06538	1.9
87.17014	1.5
90.02200	1.5
91.05478	21.8
91.19011	1.6
93.07043	55.0
95.04959	5.9
95.08604	83.8
97.06516	4.8
97.10160	4.6
103.05524	1.7
105.07030	57.7
107.08591	81.8
109.06503	4.1
109.10152	47.2
110.10496	1.8
111.08074	8.2
111.11642	1.8
117.07029	11.7
119.08580	70.5
120.08843	1.5
121.06474	3.4
121.10142	62.2
122.10447	2.5
123.08045	5.7
123.11711	11.2
125.05985	4.6
125.09603	4.8
127.07557	1.5
128.06239	2.2
129.06960	6.0
130.07777	2.8
131.08565	35.5
133.10129	45.9
135.08064	5.5
135.10747	1.4
135.11694	22.6
137.09587	6.0
137.13208	2.1
139.07550	16.3
139.11194	2.0
142.07758	2.5
143.08565	16.4
145.10120	64.6
146.10477	3.0
147.08015	2.1
147.11687	35.9
149.09605	4.9
149.12059	2.5
149.13257	48.8
153.09019	3.0
155.08542	5.7
156.09367	3.5
157.10138	21.5
158.10864	3.2
159.11690	40.1
160.12305	1.5
161.09618	5.1
161.13245	17.2
163.11162	5.1
163.13452	2.2
163.14816	44.8
163.75069	1.9
165.09198	4.1
169.10098	6.8
170.10957	3.7
171.11691	15.7
172.12399	4.2
173.09656	2.7
173.11816	4.0
173.13237	22.9
175.11188	6.1
175.14838	27.8
177.12801	5.5
177.16383	72.6
179.10683	4.1
179.14261	3.0
181.10185	2.8
181.12131	3.7
183.11693	7.0
184.12294	1.9
185.13258	13.9
187.11205	4.5
187.14825	100.0
188.15245	1.7
189.12732	5.6
189.16399	34.8
191.14287	4.5
191.17931	6.7
193.15851	5.1
195.11714	3.0
195.13744	2.4
196.12445	1.9
197.13249	7.7
198.13878	2.4
199.14795	9.9
200.15186	2.5
201.12746	4.7
201.16399	26.2
203.14279	5.2
203.17934	16.2
205.15872	5.5
205.19456	2.5
207.11778	1.7
207.13806	1.6
208.68822	1.5
209.13268	5.1
209.15335	1.7
211.14784	5.8
213.16388	20.1
215.14258	3.5
215.17958	10.2
217.19507	1.7
221.18999	1.8
223.14830	2.6
225.16315	5.7
227.14284	3.7
227.17914	7.7
229.15794	5.5
229.19502	4.8
231.17468	13.0
233.15329	7.3
235.14748	2.0
235.16948	2.6
237.16299	1.6
239.17928	5.0
241.15999	1.9
241.19431	5.1
242.20242	1.8
247.16980	7.8
249.18506	59.5
250.18848	1.8
253.19553	5.2
255.17622	1.7
255.21101	2.4
263.17932	1.9
267.20963	2.7
277.19595	1.8
281.22543	2.8
283.16959	2.6
293.22784	2.9
307.24188	3.1
309.25580	2.3
317.22684	1.5
319.24374	2.1
321.25778	2.2
334.10678	3.2
339.23190	3.0
347.27209	3.0
375.30298	1.6
377.31937	6.6
387.30261	4.7
393.31381	1.6
405.31494	30.9
423.27209	12.5
423.32462	94.9
424.17496	1.7
424.32709	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	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.05511	17.5
57.03415	3.7
57.07059	5.3
60.55270	1.5
65.03925	2.1
65.85630	1.4
67.05180	2.2
67.05502	28.1
67.88302	1.4
69.03415	2.8
69.07066	29.5
70.14156	1.5
71.05003	2.0
74.32224	1.6
79.05488	23.1
79.52616	1.6
81.03404	2.5
81.07052	60.2
82.07343	2.2
83.04978	3.2
83.08620	10.0
85.06535	3.4
88.32839	1.8
91.05477	26.3
93.07039	50.4
93.24019	1.5
95.04956	6.0
95.08604	68.6
97.06524	5.5
97.10168	7.4
98.20773	4.3
105.07026	58.0
106.07397	1.8
107.08591	76.0
108.08887	2.6
109.02844	2.3
109.06503	5.6
109.10159	37.4
111.08062	7.4
113.05936	1.7
115.05477	1.4
116.06246	2.2
117.06996	8.7
119.08578	62.9
121.06503	5.9
121.10138	62.8
123.04353	1.7
123.08065	7.3
123.11691	10.4
125.05960	2.3
125.09599	3.8
128.06221	1.6
129.07002	6.2
130.07799	3.1
131.08568	35.5
132.08934	1.5
133.10126	50.5
135.08026	6.3
135.11693	20.5
137.09593	3.8
137.13242	4.3
139.07515	15.4
141.06895	1.6
142.07785	3.8
143.08560	14.2
144.09273	2.1
145.10114	53.3
146.10524	3.1
147.08014	4.5
147.11679	29.5
149.09604	5.3
149.13251	45.1
151.07529	2.5
151.11188	4.1
153.09102	4.8
155.08557	6.5
156.09311	4.7
157.10114	22.1
158.10828	3.2
159.08090	2.5
159.11678	32.2
161.09645	3.9
161.13246	19.8
163.11183	6.4
163.14822	43.7
165.09082	3.9
165.12758	2.2
169.10063	5.6
170.10999	2.4
171.11684	17.4
172.12393	3.7
173.09607	2.4
173.13246	26.4
174.13641	2.1
175.11188	6.3
175.14796	27.4
177.09149	3.0
177.12769	5.4
177.16380	75.9
178.16695	2.4
179.10721	4.2
179.14313	2.2
181.10193	2.7
181.12196	3.3
182.10829	1.5
183.11636	9.5
185.13278	11.4
187.11250	3.8
187.14806	100.0
188.15176	2.6
189.09088	1.5
189.12735	7.0
189.16371	31.7
189.17955	2.8
191.12688	1.6
191.14311	7.2
191.17937	7.0
193.12126	2.4
193.15904	6.5
194.61356	1.6
195.11731	4.4
195.13617	1.8
196.12462	1.9
197.13286	5.3
198.13756	1.6
199.11064	1.6
199.14832	8.6
201.12744	2.4
201.16376	20.0
203.14287	4.8
203.17981	11.5
205.15883	5.6
209.13306	4.2
209.15410	2.0
211.14767	6.8
213.12823	1.7
213.16345	20.6
215.14349	6.2
215.17955	9.6
219.17397	1.7
223.14923	2.5
225.16342	4.5
227.14307	2.5
227.17989	7.9
229.15825	6.9
229.19502	4.1
231.17378	16.3
233.15350	7.1
235.14891	1.9
237.16377	3.3
239.18036	4.7
241.19513	4.5
243.21220	1.6
245.15504	3.3
247.16989	6.4
249.18492	73.0
250.18781	2.9
251.17894	2.3
253.19435	3.0
255.21053	4.6
259.16815	1.7
273.18433	2.7
275.20218	2.5
317.22592	1.8
321.25757	2.2
377.32089	7.9
387.30408	6.5
405.26590	3.1
405.31561	26.5
423.27509	4.2
423.32550	84.8
424.33038	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	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72317	0.9
53.03941	3.3
55.01861	1.0
55.05510	16.3
56.05878	1.1
57.03436	1.3
57.07066	4.6
58.57431	1.0
65.03931	2.6
67.05501	29.8
69.03416	3.2
69.07065	31.6
71.04971	1.3
71.08641	1.1
71.50893	1.2
71.51282	1.5
77.03927	1.6
79.05489	25.3
81.03401	3.1
81.07053	59.5
81.34959	1.1
82.07401	1.2
83.04984	2.0
83.08607	9.9
85.06535	2.7
87.14096	1.0
91.05477	28.5
92.05801	1.5
93.07040	53.6
94.07360	1.4
95.04963	4.7
95.08603	74.3
96.08906	2.4
97.06528	3.5
97.10164	6.2
99.04475	1.3
103.05447	1.7
105.07027	58.1
106.07366	1.2
107.08588	68.0
108.08928	2.7
109.06519	6.4
109.09381	1.5
109.10144	30.9
111.04440	1.2
111.08046	7.6
111.11722	2.0
115.05464	1.6
117.07001	8.7
119.04893	1.3
119.08571	64.6
119.85455	1.2
120.08906	2.2
121.06558	5.4
121.10138	57.1
122.10446	2.5
123.04430	2.1
123.08077	8.0
123.11702	11.6
125.05984	6.4
125.09622	4.8
127.03882	1.1
128.06230	4.1
129.06979	5.8
130.07767	2.1
131.04880	1.2
131.07602	2.1
131.08565	36.6
133.06506	1.6
133.10115	44.0
134.10481	1.3
135.08069	4.5
135.11699	21.0
137.09612	4.0
137.13264	2.9
139.07535	14.8
141.06992	1.9
142.07811	4.0
143.08563	18.1
144.09297	3.2
145.10120	57.0
146.10461	2.0
147.04433	1.4
147.08044	2.5
147.11676	33.6
149.09622	6.3
149.13257	38.1
151.07489	1.8
151.11148	3.1
151.14857	1.2
153.09114	3.7
155.08578	6.4
156.09317	4.7
157.10124	21.1
158.10876	4.3
159.08092	2.2
159.11687	32.6
160.12314	1.4
161.09586	6.1
161.13272	18.0
163.11253	5.8
163.13438	2.1
163.14821	42.5
165.09106	4.4
165.12798	2.3
167.08524	1.5
167.10641	1.8
168.09399	1.8
169.10110	7.2
170.10814	1.8
171.11676	15.5
172.12462	3.3
173.09610	1.7
173.13263	24.8
174.13501	1.8
175.11240	6.6
175.14825	26.0
175.16296	2.0
177.09125	2.8
177.12912	6.8
177.16374	75.5
178.16731	3.2
179.08461	1.4
179.10649	4.2
179.14317	2.5
181.10103	2.2
181.12248	2.9
182.10936	2.6
183.11685	8.2
184.12067	1.3
185.13260	11.0
187.11317	5.0
187.14815	100.0
188.15208	3.4
189.12781	8.9
189.16368	32.6
190.16702	2.3
191.10689	1.3
191.14374	5.0
191.17987	6.1
193.15880	6.6
195.11681	2.9
195.13748	1.3
195.17265	1.2
196.12450	2.3
197.13188	7.0
199.11195	2.0
199.14844	10.0
200.15274	1.3
201.12747	3.6
201.16388	21.6
203.14357	5.8
203.17953	11.5
203.91133	1.2
205.12227	1.3
205.15906	4.9
207.11610	1.5
209.13263	4.2
209.15198	1.2
211.14793	7.0
213.16371	20.8
214.16670	1.6
215.14374	6.3
215.17920	11.0
217.15968	1.6
217.19547	1.2
223.14806	2.7
225.16411	4.2
227.14325	2.8
227.17953	7.4
229.15833	5.4
229.19519	4.9
231.17422	18.7
233.13315	1.8
233.15309	7.1
237.16414	2.0
239.17946	4.0
241.19534	4.4
243.17387	1.5
243.21167	1.6
245.15375	3.1
247.16911	6.9
249.18500	67.4
250.18909	1.9
251.17885	2.6
253.19557	4.0
255.21121	3.7
257.19168	1.4
259.16992	3.0
261.18558	1.5
263.18073	1.8
267.20978	2.9
269.22672	2.4
273.18411	2.2
275.20203	2.1
291.21191	1.3
293.22391	1.4
305.22672	1.6
307.23822	1.6
309.25879	1.4
317.22711	1.2
319.24173	1.9
321.25772	2.6
327.23215	1.7
335.27374	1.7
337.25131	1.7
347.27173	2.3
375.30713	1.5
377.32263	5.8
384.68478	1.2
387.30542	6.7
393.31479	1.7
395.33228	2.3
405.26672	1.8
405.31516	27.4
406.31927	2.7
423.08551	1.5
423.13632	1.7
423.27390	5.0
423.32553	92.0
424.32962	5.4
446.01178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01864	2.4
55.05512	22.3
57.03415	3.9
57.07069	6.9
59.04997	4.2
59.88838	1.7
65.03909	2.8
67.05499	89.4
68.05830	1.8
69.03431	2.5
69.07062	31.5
69.31944	17.0
71.04980	4.6
73.78383	1.8
78.52264	1.6
79.05486	31.1
81.07050	76.2
83.04990	2.5
83.08613	17.8
85.02930	1.8
85.06547	5.0
91.05473	28.8
93.06585	2.0
93.07035	56.2
95.04965	4.9
95.08597	67.8
96.08915	1.7
97.06507	3.8
97.10152	4.0
99.08040	2.8
105.07024	49.8
107.08585	59.6
109.06499	3.3
109.10146	81.9
111.08097	8.4
111.11742	2.0
115.05398	2.8
117.07019	10.0
119.08572	70.2
121.06488	3.2
121.10134	47.8
123.08059	5.7
123.11672	11.0
125.09604	4.2
127.98112	1.7
128.06236	2.0
129.06998	6.2
130.07755	2.6
131.08557	31.3
133.10121	46.0
135.08057	5.6
135.11678	23.2
137.09604	7.1
137.13287	3.0
139.07547	4.9
139.11185	2.1
142.07774	2.4
143.08527	14.0
144.09338	3.7
145.10109	56.8
146.10596	1.9
147.07994	2.4
147.11674	32.0
149.09621	2.6
149.13240	36.0
150.13580	1.9
151.14882	2.2
155.08554	4.0
155.10599	3.5
156.09337	3.0
157.10114	17.4
159.11670	39.0
160.12364	2.2
161.09601	4.6
161.13243	18.8
163.14804	28.3
163.46249	1.6
167.03397	8.2
167.10571	2.0
169.10080	4.8
171.11702	12.5
171.93779	1.7
172.12387	3.7
173.11714	12.5
173.13271	23.1
175.11168	2.2
175.14807	22.3
177.12726	7.5
177.16374	30.7
179.14326	1.7
181.12294	2.7
183.11676	6.6
185.13255	10.7
187.14799	83.1
188.15219	1.7
189.12721	4.0
189.16360	40.0
191.14294	3.9
191.17931	6.9
193.10110	1.8
193.15886	4.6
195.11713	3.1
195.13844	6.4
197.13217	5.5
199.14778	7.8
201.12724	3.0
201.16379	30.3
202.16640	1.9
203.14317	5.2
203.17928	15.8
205.12158	1.7
205.15849	4.9
207.13919	3.9
207.17426	2.7
209.13261	2.1
211.14809	4.1
213.16400	14.6
214.16774	2.8
215.14366	3.8
215.17906	15.4
217.15767	2.2
217.19467	3.7
219.17404	3.9
223.14804	3.2
225.16290	3.2
227.17899	6.9
229.15884	4.0
229.19525	5.9
231.17429	7.9
233.15398	8.6
233.19118	2.5
239.17928	5.0
241.19450	7.2
243.17528	3.2
245.15419	3.4
245.18913	1.9
247.16896	2.7
249.18486	40.0
251.17900	4.5
253.19485	6.5
255.17331	2.3
255.21060	5.4
257.19003	2.3
267.21112	2.0
269.18903	2.2
271.16534	1.6
281.22635	3.6
295.24106	1.8
299.20175	2.3
300.83560	1.8
321.25705	3.1
337.25009	2.2
347.27246	2.2
349.28891	2.0
377.32047	10.6
387.30389	3.2
405.31189	21.2
423.08771	5.1
423.27234	37.5
423.32507	100.0
424.32797	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05505	2.3
61.01145	7.7
67.05499	2.1
69.03426	3.7
69.07047	1.5
71.04977	1.9
71.50683	1.5
72.04518	12.7
73.02906	4.3
78.03785	17.8
79.05490	1.5
81.03425	3.0
81.07072	1.4
83.04993	4.4
85.02903	13.0
85.06521	2.6
86.06050	2.1
88.02212	7.1
91.05466	4.0
93.07018	1.7
95.04951	2.8
97.02892	2.6
97.06528	1.5
98.02396	1.8
99.04448	7.4
99.05569	4.3
102.03766	25.8
103.02155	3.3
103.03938	16.1
105.07018	1.1
109.02879	7.3
112.07568	1.7
113.06022	1.7
114.03780	4.5
114.05506	1.7
114.82567	1.4
120.04755	6.3
123.04436	4.3
124.07584	2.3
126.05516	26.8
127.03927	8.2
131.06374	14.9
132.04811	13.7
135.04445	1.2
138.05467	1.5
139.03893	1.5
141.06642	2.1
142.08606	5.7
147.04485	1.7
147.05798	1.6
149.07433	64.3
150.07826	1.5
152.07069	3.1
153.01830	1.5
154.08646	3.7
156.06543	1.5
158.02699	1.6
159.05872	3.2
163.03917	4.5
163.66872	1.1
175.05347	3.7
180.06541	15.0
184.09773	2.7
194.04506	1.4
197.10616	1.2
198.07579	3.8
216.08687	2.8
230.08366	1.4
231.11656	5.4
257.09406	2.3
261.08505	1.3
261.12582	4.4
271.06100	1.6
275.10599	4.5
281.09082	1.6
293.11639	100.0
294.12012	4.2
299.10245	1.9
312.18106	1.4
327.09668	2.3
387.11630	2.4
405.12643	5.3
405.17078	35.4
406.17041	1.6
423.13678	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	423.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01852	0.3
55.05502	2.9
57.03429	0.9
57.07069	0.9
67.05501	16.1
69.07059	3.8
71.04636	0.9
71.04988	1.1
79.05487	4.3
81.07051	11.7
83.04967	0.5
83.08627	2.3
85.06527	1.1
89.06033	0.9
91.05480	3.9
93.07038	7.1
95.04965	0.9
95.08598	7.1
97.06520	1.0
97.10161	0.8
99.08098	0.4
105.07035	4.3
107.08585	7.3
109.06508	0.7
109.10152	15.1
111.08076	1.1
111.11723	0.5
117.06986	1.3
119.08571	7.8
121.02840	0.9
121.06519	0.4
121.10136	6.5
123.08077	0.4
123.11688	2.3
125.09600	0.6
127.11195	1.2
127.52973	0.4
129.06978	0.8
131.08585	2.4
133.10136	3.8
135.11665	4.2
137.09610	0.6
137.13203	0.6
143.08594	0.8
144.09366	0.5
145.10101	6.5
145.11171	0.5
147.11674	4.0
149.13242	4.4
155.08572	0.5
155.10646	0.6
157.10135	1.8
158.10843	0.4
159.11693	7.5
161.13234	2.2
163.14816	3.5
169.10149	0.7
171.11687	1.5
173.11725	2.9
173.13278	2.7
175.14821	1.9
177.12695	0.7
177.16365	0.7
183.11728	0.6
185.13217	1.0
187.14795	5.3
189.16357	2.5
191.17914	1.8
195.13828	1.0
197.13280	0.4
199.14784	0.8
199.30591	0.5
201.12599	0.4
201.16377	3.4
203.14378	0.4
203.18019	2.0
207.17400	0.9
213.16367	2.4
215.17966	2.8
217.19455	0.5
227.17937	0.9
231.08070	0.7
231.17473	0.4
243.21228	0.4
253.19572	0.7
255.21120	0.7
257.22723	0.4
259.07458	0.7
260.08249	0.6
268.08835	0.7
273.05469	0.5
275.06732	0.5
276.09399	0.5
281.22641	0.4
292.08640	0.4
293.09561	1.1
295.07224	0.5
296.08218	0.6
305.09506	0.5
308.08459	0.6
321.09088	1.6
323.06992	1.8
324.07736	2.2
332.08347	0.8
333.08862	0.7
334.06097	0.9
336.07608	0.6
337.08340	0.5
338.05600	0.4
339.10275	0.6
348.07559	0.8
349.08603	5.8
350.09177	1.4
351.06558	1.0
351.10208	0.5
352.07190	3.5
360.07639	0.5
361.08420	1.3
363.06430	2.2
366.08813	0.6
367.09659	0.9
377.08084	5.6
378.08823	5.0
379.05576	2.7
379.10095	0.7
380.06738	8.4
381.07745	0.5
384.54727	0.4
395.09146	12.5
396.09598	0.8
405.07550	5.9
405.30975	0.7
405.35233	1.2
406.08334	2.8
407.05414	0.8
408.06247	3.2
422.34854	0.5
423.08606	100.0
423.27600	6.5
423.32224	3.1
423.37268	5.4
424.08981	6.3
429.11118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06916	0.4
53.03912	0.5
53.40224	0.4
55.01871	0.9
55.05508	3.7
57.03428	0.9
57.07085	0.6
59.04998	0.4
65.03937	2.7
65.04231	0.5
67.05501	20.3
69.03419	0.7
69.07063	3.4
70.14675	1.2
70.15090	0.9
71.04990	1.1
79.05479	4.3
81.07053	11.4
83.04958	1.0
83.08611	2.5
85.06541	0.6
91.05471	4.8
93.07037	7.9
95.04958	2.0
95.08603	7.8
97.06519	1.2
97.10188	0.7
98.21456	0.6
105.07021	3.7
107.04939	0.6
107.08572	7.1
108.08918	0.4
109.06505	0.6
109.10152	14.6
110.10506	0.6
111.04433	1.8
111.08069	1.0
111.11755	0.5
112.51516	0.4
117.07021	1.1
119.08575	5.7
120.08906	0.5
121.02862	16.1
121.03792	0.6
121.10136	4.5
123.11713	2.1
125.09596	0.6
129.06964	0.7
131.08559	3.2
133.10098	4.4
135.07990	0.6
135.11670	3.5
137.09610	0.7
137.13269	0.5
139.11191	0.4
143.08571	1.2
145.10092	3.4
147.11667	3.6
149.02318	1.8
149.09641	0.6
149.13255	4.3
155.08514	0.4
155.10629	0.6
157.10139	1.6
158.10732	0.5
159.11702	3.7
161.13231	1.5
163.14833	1.4
169.10077	0.5
171.11670	1.3
173.11751	3.3
173.13284	2.2
175.14813	1.4
177.12708	0.8
177.16417	1.1
183.11674	0.7
185.13205	1.0
187.14774	2.1
189.12743	0.5
189.16370	1.4
191.08580	0.5
191.17963	1.5
195.13809	1.5
197.13304	0.6
199.14827	0.8
201.16373	1.5
203.08549	0.6
203.14299	0.6
203.17995	0.9
205.06448	0.6
205.15759	0.9
211.14819	0.8
213.16353	1.1
215.17999	1.7
218.07333	0.6
219.08044	2.0
219.17468	0.7
227.18074	0.4
229.06493	0.6
231.08055	0.6
233.05992	1.4
237.05550	0.4
245.06071	0.7
246.06660	0.5
247.07594	2.2
252.09357	0.6
255.20927	0.5
257.05811	0.7
259.07703	0.4
263.08783	0.8
264.09460	0.8
265.10083	1.2
267.21057	0.6
268.08780	0.5
270.06699	0.4
273.05490	1.3
275.07031	1.7
276.09335	1.7
277.10095	0.7
279.08041	0.8
280.08835	0.5
288.04205	1.8
289.04968	0.6
292.08823	1.9
293.09625	2.4
295.07581	0.9
296.08209	0.9
301.05017	1.4
303.06442	9.2
305.09454	2.7
307.07462	1.3
308.08456	1.6
309.09027	0.5
319.07236	0.4
320.08279	0.9
321.09045	4.7
322.09659	0.6
323.06946	1.5
323.10507	0.6
324.07709	1.7
325.08478	1.0
330.21201	0.5
331.07526	0.8
332.08359	0.9
333.09122	2.6
334.06223	1.0
335.07040	1.4
336.07748	2.9
337.08362	0.8
346.06546	0.5
347.06949	1.1
348.07922	0.9
349.08530	6.2
350.09238	0.7
351.06390	1.1
351.10172	3.7
352.07166	2.8
353.07993	0.6
359.07166	0.6
360.07727	1.3
361.08533	4.1
362.05475	0.8
362.09396	0.8
363.06409	1.1
364.07190	4.2
365.07843	0.6
367.09763	1.2
376.07101	1.2
377.08023	11.0
378.08798	1.2
379.05515	0.5
379.09714	6.9
380.06662	4.8
381.07584	1.4
393.07428	0.5
395.09204	2.6
404.06528	0.6
405.07544	9.0
405.13046	0.5
405.26608	0.5
405.31342	1.1
406.08215	1.0
408.06274	2.4
422.25952	0.5
422.35291	0.8
423.08597	100.0
423.27328	7.9
423.32553	5.5
423.36588	2.5
424.09048	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	423.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16133	0.2
52.81519	0.2
55.05507	2.0
57.03428	0.5
57.07061	0.6
59.04991	0.3
65.76930	0.2
67.05501	10.1
69.07070	2.0
71.04980	0.6
79.05061	0.3
79.05487	2.8
79.51118	0.2
81.07050	6.6
83.04955	0.4
83.08626	1.0
85.06540	0.4
91.05468	2.2
93.07042	4.5
95.04964	0.5
95.08602	5.3
97.06531	0.7
97.10150	0.4
105.07028	2.8
107.08589	4.9
109.06521	0.4
109.10153	7.4
111.08049	0.6
117.07024	0.9
119.08582	4.0
121.10136	3.3
123.11709	1.5
127.11174	0.3
129.07011	0.4
131.08569	1.5
131.09383	0.3
133.10120	2.9
135.11705	2.1
137.09586	0.3
137.13272	0.6
143.08569	0.9
145.10127	2.2
147.11661	2.2
149.13248	2.7
155.08533	0.3
157.10130	0.9
159.11681	2.9
161.13309	1.3
163.14793	1.1
169.10126	0.2
170.64726	0.2
171.11682	1.1
173.11726	1.5
173.13263	1.7
175.10997	0.2
175.14807	1.4
177.12805	0.4
177.16382	0.6
179.14362	0.4
183.11713	0.4
185.13237	0.6
187.14845	2.1
189.16405	1.5
191.17952	0.8
195.13725	0.5
197.13283	0.5
199.14795	0.9
200.57321	0.3
201.16389	1.3
203.08646	0.3
203.14249	0.4
203.17952	0.8
207.17441	0.4
211.14815	0.5
213.16449	1.2
215.17958	1.1
217.15965	0.3
217.19534	0.3
225.16411	0.2
227.17903	0.5
229.19543	0.6
231.08029	0.6
233.18993	0.3
237.16426	0.3
239.17914	0.4
241.19524	0.5
243.21082	0.7
247.85692	0.2
253.19518	0.4
255.21075	0.5
259.07648	0.4
259.20602	0.2
260.08301	0.3
263.08063	0.2
265.10233	0.3
267.21069	0.4
267.87152	0.2
268.08813	0.3
269.19318	0.2
269.22668	0.7
275.07050	0.4
276.09479	0.4
277.10126	0.3
283.24075	0.3
285.22089	0.6
292.08807	0.6
293.09546	1.0
295.07614	0.5
296.08374	0.6
299.23538	0.2
303.08057	0.7
305.09744	0.6
308.08484	0.5
309.25613	0.3
310.06189	0.3
311.27286	0.2
320.08310	0.4
321.09122	2.7
323.07169	0.6
324.07767	1.4
325.08325	0.2
331.07492	1.0
332.08194	0.5
333.09192	0.3
335.07138	0.3
337.08603	0.4
338.05710	0.5
348.07779	1.1
349.08521	4.3
350.09225	0.7
351.06436	1.0
352.07327	4.1
353.07913	0.3
359.07001	0.5
360.07779	2.4
361.08463	1.1
362.09314	0.2
363.06351	0.4
367.09869	0.6
368.06705	0.4
376.07236	2.2
377.08069	12.3
377.32159	0.4
378.08521	1.5
379.05872	4.8
380.06735	8.6
381.07288	0.5
395.09143	12.8
396.09549	0.3
405.07568	8.0
405.30832	0.4
405.35150	0.9
406.08267	1.6
407.05099	1.3
408.06271	3.7
409.06842	0.6
423.08606	100.0
423.27692	4.1
423.32172	2.2
423.37183	4.2
424.08966	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98034	3.0
53.03938	5.9
53.14059	2.8
55.01865	3.9
55.05507	20.4
55.78898	2.4
57.03444	4.4
61.02932	5.6
64.37907	2.7
67.05498	4.0
68.34640	3.1
69.03429	19.3
69.07074	4.1
70.06590	4.6
71.04990	6.3
77.35488	2.7
79.05490	6.0
80.80576	3.1
81.03395	7.5
81.07048	10.1
83.04974	34.3
85.02900	33.4
87.04473	4.7
91.05479	9.7
95.04975	8.6
95.08590	8.0
97.02897	14.8
99.04432	8.1
99.05583	11.2
105.07021	5.9
107.04946	3.9
107.08596	17.0
109.02888	4.4
109.06522	10.3
109.10130	14.3
111.08060	7.6
115.05466	3.4
118.16790	2.8
119.04912	4.2
119.08577	8.0
120.72287	3.0
121.02868	3.2
121.10128	8.6
123.04426	44.9
123.08057	14.3
123.11692	3.8
124.03989	4.5
124.04753	16.2
125.09634	9.4
127.03925	11.6
133.06529	3.5
135.08078	5.9
137.02368	8.7
137.05933	8.0
137.09595	4.5
137.13289	4.3
139.03976	5.3
139.11182	3.3
140.07079	4.1
145.04926	5.1
145.06494	7.0
147.04402	7.9
147.11699	12.5
149.05980	4.8
149.09633	11.5
153.01784	3.7
161.03027	2.8
161.06018	6.5
163.03944	7.4
164.04294	4.2
164.07082	4.0
165.01762	4.2
165.05466	13.9
165.12735	6.6
171.11671	8.5
173.06036	3.6
179.07059	13.9
181.04930	4.5
181.08600	6.8
189.12749	10.3
193.05063	2.9
197.06151	5.0
197.08104	15.9
207.13811	11.9
225.05539	3.8
225.14853	100.0
243.06519	6.8
243.08699	17.3
271.06009	54.7
271.08798	3.7
286.07861	3.1
289.96671	3.4
339.81320	3.3
387.20078	3.3
404.15479	3.6
422.16827	4.8
423.11035	6.9
423.17871	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03938	3.0
55.01868	1.1
57.03427	1.7
59.28094	0.4
61.02885	0.4
65.03947	0.4
69.03091	0.6
69.03427	8.9
70.28376	0.3
71.04980	1.6
71.21691	0.6
71.23251	0.3
73.02905	1.2
78.03451	20.5
80.05012	2.4
81.03412	23.8
85.02898	8.2
91.05470	0.6
94.45948	0.3
96.02113	2.2
96.04481	5.2
97.02879	6.0
99.04449	4.2
106.02908	73.8
107.03232	1.2
109.02868	14.2
110.03188	0.4
119.06022	0.6
119.08562	0.4
121.02900	0.5
124.03942	100.0
125.04308	2.1
127.03900	11.0
137.02330	53.0
138.02663	0.8
140.03416	0.5
140.28233	0.4
145.04926	1.0
151.72493	0.4
153.01810	0.4
155.03368	1.3
165.05508	0.4
166.04973	1.5
167.05313	0.3
167.06984	0.7
169.06502	0.4
179.03438	0.6
188.03798	1.6
196.06050	1.1
202.04980	0.8
202.65842	0.4
206.92982	0.4
208.06082	0.7
218.05432	0.5
228.21170	0.4
232.05986	1.1
237.33934	0.4
250.07094	40.2
251.07452	0.9
260.09174	0.8
268.08142	39.1
269.08490	1.2
290.60983	0.3
402.49597	0.4
404.09726	25.0
405.10028	1.5
422.10724	17.3
422.20068	0.8
423.11316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03941	2.8
55.01861	1.0
57.03431	1.3
65.03932	0.7
69.03426	8.7
70.63770	0.4
71.01395	0.9
71.01742	0.6
71.04981	1.4
73.02911	0.9
78.03452	15.5
79.05468	1.0
80.05014	2.1
81.03416	17.5
81.07050	1.0
83.04998	0.6
85.02900	8.1
86.16946	0.5
91.05482	11.8
96.04501	4.7
96.05067	0.8
97.02885	6.0
98.21028	0.5
99.04456	3.9
102.97275	0.5
105.07011	1.2
106.02910	61.4
107.03244	0.5
107.04952	1.0
107.08615	0.9
109.02872	10.0
109.06493	0.9
119.04921	6.4
119.05738	0.8
119.06144	0.7
121.02891	0.8
123.04404	0.7
124.03946	100.0
125.04256	1.2
127.03905	6.3
137.05971	33.1
137.09607	0.6
145.04933	0.7
155.06970	0.7
161.09598	0.8
165.05389	1.1
165.09114	0.6
166.04953	0.7
167.07040	1.0
181.04945	0.8
196.06110	1.0
208.06111	0.9
219.06497	0.6
220.06839	0.9
225.14838	1.0
226.06958	0.6
232.06084	1.6
250.07095	23.7
268.08142	40.8
269.08646	0.6
277.27060	0.6
286.09079	0.6
325.07367	0.6
402.99289	0.6
404.13376	27.8
405.13943	0.7
422.14444	23.0
423.69547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
57.07064	6.4
67.05504	25.1
69.03421	1.5
69.07066	27.1
71.08618	2.3
73.98467	1.3
79.05498	13.1
81.07055	58.0
83.08612	9.0
85.06548	1.9
91.05470	15.9
92.59248	1.4
93.07043	33.0
95.04965	5.6
95.08604	91.7
96.08990	1.7
97.06522	2.1
97.10174	5.5
98.20740	3.8
99.08089	1.7
105.07030	40.9
107.04865	1.8
107.08588	35.1
109.10154	40.6
111.11730	2.3
112.17199	1.5
113.09664	1.8
117.07043	6.1
119.08575	35.3
121.06543	1.8
121.10134	27.9
121.10935	2.2
123.08111	2.1
123.11704	20.1
125.13274	1.8
128.06200	1.3
129.07021	6.0
131.08582	17.9
131.72107	1.7
133.06448	1.5
133.10135	24.4
135.11690	16.2
137.13261	14.1
138.94380	1.5
142.07800	2.1
143.08546	12.1
145.10124	29.5
145.11166	2.5
147.11700	19.9
149.13252	25.5
151.14845	10.2
155.08557	5.7
156.09357	2.2
157.10141	14.2
159.11684	21.9
161.09628	2.7
161.13254	17.0
163.11177	2.5
163.14813	17.2
169.10153	6.6
171.11661	11.1
173.13257	20.8
175.14795	15.4
177.12654	2.3
177.16389	19.8
179.03401	1.5
181.10201	2.2
183.11749	4.0
184.81293	1.6
185.13284	9.8
187.14815	13.8
189.16347	13.3
191.14331	4.0
191.17920	11.9
193.10092	1.4
195.11726	2.4
197.13321	6.1
199.14803	8.3
201.16376	12.8
203.14217	2.4
203.17955	19.0
205.15948	3.6
209.13155	3.7
211.14850	3.6
213.16354	10.8
215.17961	18.6
217.05098	1.7
217.16081	1.8
217.19460	8.9
225.16452	5.2
227.17918	9.4
229.15941	1.7
229.19485	11.7
231.17523	4.2
231.21095	2.8
233.36896	1.7
239.17957	4.0
241.15880	2.7
241.19501	15.8
243.17432	4.1
243.21030	10.0
245.19127	3.8
251.18022	4.1
253.19553	6.3
255.17538	2.1
255.21123	12.7
257.22815	2.0
265.19635	2.1
267.18002	1.5
267.20886	3.0
269.19113	10.1
269.22348	8.3
271.20660	4.0
279.21155	1.6
281.22815	1.7
283.20459	3.2
283.24191	1.4
295.24182	2.7
304.41116	1.5
309.25653	3.2
311.23849	3.3
329.21124	2.8
337.25305	2.6
347.27478	2.0
365.28491	2.0
377.32571	2.0
378.32831	2.0
393.31479	4.5
393.35370	41.1
394.35596	2.9
403.24799	3.2
403.33740	14.7
421.34717	100.0
422.35229	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
53.07615	1.9
55.05503	13.1
57.07061	7.4
65.03946	2.1
67.05500	24.7
69.07062	22.4
71.08630	1.7
71.29678	1.7
79.05480	17.6
81.03441	1.6
81.07050	45.9
83.04980	2.9
83.08614	11.7
85.06538	3.2
91.05463	25.5
93.07040	35.3
95.04990	3.3
95.08599	64.8
97.10166	4.9
103.05472	1.6
105.07024	43.8
107.08587	53.7
109.06510	3.7
109.10146	38.8
110.10439	1.6
111.08105	4.6
111.11718	3.7
117.06982	12.1
119.08575	76.0
121.06491	1.9
121.10137	42.7
123.08076	2.3
123.11704	19.9
125.09608	2.5
128.06216	2.4
129.07004	5.9
130.07784	2.9
131.08543	23.8
133.10121	51.5
135.08087	2.9
135.11681	24.8
137.13232	7.4
141.06975	2.5
142.07820	4.7
143.08536	12.1
144.09341	1.9
145.10112	38.6
147.07938	1.8
147.11678	32.7
149.09618	2.2
149.13235	25.2
151.11153	3.6
151.14865	2.2
155.08557	5.2
156.09326	5.0
157.10126	20.1
158.10921	2.6
159.11688	42.7
161.09589	2.7
161.13239	18.8
161.14468	1.9
163.11180	2.2
163.14844	11.7
165.12787	1.8
165.16432	2.2
169.10089	8.1
170.10948	3.7
171.11671	20.0
172.12383	2.1
173.13263	22.9
175.11127	2.4
175.14825	19.6
177.12796	3.3
177.16420	9.3
181.05022	4.6
181.10248	2.2
182.05331	2.4
182.10956	1.7
183.05580	2.4
183.11671	8.6
183.82623	1.6
185.13248	16.0
187.14792	28.3
189.16403	17.8
191.17955	6.5
195.11717	4.6
197.13297	9.3
199.14816	14.0
201.16365	25.1
203.14384	2.3
203.17950	18.4
205.16022	2.9
209.13319	3.7
211.14912	7.4
213.16359	10.8
215.17955	12.9
217.15916	3.3
217.19383	7.6
219.17509	2.3
221.13263	2.3
223.14854	5.2
225.16426	4.1
226.17155	2.2
227.18045	6.9
229.13989	2.7
229.16061	2.3
229.19559	6.9
231.17496	3.5
231.21169	2.5
237.16299	1.9
239.18028	4.0
241.19608	5.3
243.21152	5.9
251.17908	3.4
253.19670	4.7
255.17491	1.7
255.21199	4.3
257.19138	4.3
257.22693	2.4
259.20834	1.7
259.24329	2.3
265.19623	2.5
267.21164	5.2
269.22711	5.7
271.20642	2.3
279.21271	2.9
281.22781	3.1
283.20715	2.0
285.22089	2.6
293.22659	3.3
295.24316	2.9
297.22226	2.1
301.42172	1.7
305.32455	1.5
307.24121	2.1
311.23825	2.2
311.27176	1.8
315.51297	1.6
325.25314	2.4
344.25659	1.6
347.27359	2.4
365.28320	2.4
391.33633	8.0
393.35184	4.6
403.33655	15.6
421.34741	100.0
422.35205	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	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01866	0.9
55.05503	11.5
57.03440	1.4
57.07071	6.4
59.03239	0.8
59.05007	0.9
60.50317	0.9
67.05138	1.4
67.05497	19.3
69.07069	19.0
70.70612	1.9
70.71001	1.7
71.04982	1.0
71.08620	3.9
79.05494	15.5
81.07053	41.9
81.07537	2.1
83.05000	1.0
83.08604	7.8
85.06527	4.3
85.10175	1.4
89.06032	5.7
91.05470	16.9
93.07040	32.0
95.04952	2.7
95.08602	66.0
96.99743	0.9
97.06496	1.7
97.10152	3.8
99.08083	1.9
105.06306	1.8
105.07026	36.2
106.07357	1.3
107.08585	48.7
109.06503	2.1
109.10152	40.7
111.08079	4.0
111.11723	1.8
113.09664	2.1
114.45235	0.9
115.05466	1.4
117.07004	6.6
119.08575	49.7
121.10139	37.3
121.11028	1.1
123.08050	2.3
123.11707	15.8
125.09628	2.5
128.06158	1.7
129.07014	4.2
130.07744	1.4
131.08559	19.9
133.08556	2.3
133.10126	39.4
135.07990	0.9
135.11691	27.2
137.09540	1.2
137.13251	7.8
139.11156	1.0
142.07770	1.1
143.08566	10.3
144.09367	1.4
145.10115	37.0
147.07977	1.4
147.11679	29.1
149.09549	1.4
149.13246	23.7
151.11174	1.5
151.14751	1.4
155.08528	4.0
156.09381	1.8
157.10112	13.2
158.10826	2.6
159.11681	31.3
160.12193	0.8
161.09586	1.8
161.13254	20.3
163.11116	1.7
163.14827	11.1
165.12769	2.0
165.16345	1.0
167.08565	1.1
169.10126	4.5
170.10771	2.7
171.11679	13.1
172.12373	0.9
173.13261	21.6
175.11218	1.4
175.14809	24.5
177.12764	1.5
177.16377	16.8
179.14316	1.3
181.04822	1.3
181.10211	1.2
182.10956	0.9
183.11679	7.8
184.12363	1.9
185.13263	10.1
186.13734	1.4
187.14803	22.7
188.15266	1.3
189.12772	1.4
189.16388	18.1
190.16699	1.3
191.14299	2.8
191.17955	6.5
193.15759	1.1
195.11789	2.2
196.12453	2.0
197.13235	7.2
198.14038	1.8
199.14810	12.8
201.16374	34.0
202.16768	1.4
203.14272	1.5
203.17958	15.9
205.15889	2.5
205.19516	1.1
209.13216	3.1
211.14812	5.4
213.16376	13.8
215.14520	1.5
215.17928	23.1
217.15947	2.3
217.19467	5.9
219.17470	2.9
223.14822	3.4
225.16397	7.6
226.17081	1.0
227.17952	9.5
229.16052	1.1
229.19537	8.7
231.17380	4.5
231.21042	1.6
233.19046	2.0
237.16385	2.3
239.15111	0.9
239.17964	4.1
241.15898	1.3
241.19504	4.2
243.17464	2.9
243.21017	5.5
245.19107	4.6
251.17879	2.1
253.19536	4.0
255.21104	4.4
257.18930	1.6
257.22696	2.7
265.19519	1.4
267.21008	6.1
269.19107	1.2
269.22607	4.9
271.20749	2.2
271.68433	1.1
279.21072	2.2
281.22711	3.2
283.20413	1.1
283.24185	1.5
285.22086	1.9
293.22641	3.3
295.24176	2.3
297.22226	2.0
307.24191	1.8
309.25769	1.8
311.23810	2.6
319.24164	1.6
325.25284	2.3
327.26575	1.4
333.25824	1.7
335.27368	1.8
337.25415	2.1
347.27127	1.7
351.26782	1.5
363.30444	2.3
365.28152	1.9
375.30667	1.6
377.31961	1.4
378.28989	1.2
379.30020	2.3
393.30798	1.8
393.31747	1.1
393.35199	7.5
403.33551	15.3
421.34659	100.0
422.34744	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	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01852	0.8
55.05509	10.1
57.03419	1.7
57.07072	2.9
59.05000	3.0
59.05242	0.7
62.70066	0.5
65.03929	1.1
65.77727	0.5
67.05502	21.6
69.03419	1.3
69.07064	14.4
69.81783	3.0
70.21076	0.5
71.04983	2.1
71.08608	0.9
79.05490	15.0
81.03424	1.2
81.07052	30.1
82.07391	0.6
83.04973	1.1
83.08612	8.5
85.06544	5.5
88.07648	1.0
88.59207	0.5
91.05470	17.3
93.07040	28.6
95.04973	4.2
95.08601	52.7
97.06533	1.3
97.10158	3.4
98.20851	0.9
99.08080	1.4
102.09184	0.6
103.05458	1.3
105.07024	36.5
106.07355	0.6
107.04964	1.5
107.08586	46.5
108.08915	0.5
109.06528	3.0
109.10149	33.6
109.56384	0.6
111.08073	3.0
111.11708	1.0
113.09631	2.5
115.05455	1.2
117.07006	8.0
119.04978	0.7
119.08574	52.6
120.08862	0.7
121.06485	2.0
121.10136	36.1
123.08065	2.0
123.11697	9.5
125.09605	3.1
128.06177	1.6
129.06999	4.5
130.07765	1.9
131.08560	17.3
133.10121	38.9
134.10448	0.9
135.08006	1.1
135.11681	19.8
137.09641	1.9
137.13260	3.9
139.11203	1.0
141.07027	0.8
142.07776	2.3
143.08562	8.8
144.09351	2.6
145.10115	32.4
146.10609	0.9
147.04399	1.4
147.08119	0.7
147.11678	27.3
149.09602	2.0
149.13242	14.2
149.91600	0.5
151.11153	1.1
151.14815	1.0
155.08525	2.8
156.09340	2.7
157.10120	14.7
158.10876	2.9
159.08098	0.8
159.11684	31.3
160.12343	1.3
161.09705	0.9
161.13248	22.5
162.13634	0.8
163.11201	1.8
163.14809	8.5
165.12753	1.8
169.10139	3.3
169.18742	0.5
170.10858	1.4
171.11674	11.2
172.12419	2.8
173.13248	27.9
174.13896	2.2
175.11206	1.5
175.14815	25.4
177.12747	3.1
177.16374	11.6
181.10146	1.0
182.10909	0.7
183.11690	5.0
184.12422	1.3
185.13237	10.8
186.13857	1.5
187.11198	0.8
187.14806	29.1
188.15166	0.7
189.12775	1.3
189.16371	17.7
191.07053	1.9
191.14326	4.7
191.17894	5.8
192.07544	0.7
193.15942	2.2
194.10980	0.6
195.11667	1.1
196.12415	0.9
197.13312	4.8
199.14812	12.0
200.15495	0.8
201.16373	33.8
202.16661	1.4
203.14371	1.6
203.17943	12.8
205.15800	3.1
207.17520	1.1
209.13272	2.0
210.13965	0.7
211.14832	5.3
212.15575	0.6
213.16359	15.9
214.16747	0.9
215.14581	1.1
215.17940	18.6
217.15883	1.8
217.19444	4.8
219.17506	2.5
223.14848	1.5
225.16370	4.5
226.17198	1.5
227.17937	11.5
228.18709	5.1
229.16029	0.6
229.19514	9.8
229.21779	0.6
231.17465	2.9
231.21085	1.6
233.19017	2.9
237.16432	2.3
239.17827	3.2
241.19484	4.2
243.17464	1.9
243.21042	3.2
245.18909	2.8
247.00897	0.6
247.20557	0.8
251.18034	2.0
253.19469	2.9
255.21063	4.1
256.26846	0.5
257.19006	1.3
257.22705	1.4
257.26639	0.8
259.20535	0.9
265.19611	1.7
267.21057	4.4
269.22656	4.2
271.20670	1.2
271.24063	0.8
273.22250	0.9
279.21085	1.4
281.22748	2.8
283.20663	1.2
283.24207	0.8
285.22189	1.1
291.21097	1.0
293.22690	1.3
295.24240	2.1
297.22162	0.7
305.22614	0.7
307.24240	1.1
309.25897	2.3
311.20276	1.1
311.23752	1.0
313.25510	1.1
319.24615	0.5
323.27255	0.7
325.25061	1.3
329.21085	3.9
333.25858	0.8
347.27283	1.0
349.28931	0.7
351.26840	1.6
363.30460	1.2
365.28464	1.2
375.30573	1.1
377.32120	0.8
393.30908	1.1
393.35544	3.1
403.24792	2.2
403.33585	10.8
421.25647	2.7
421.34698	100.0
422.35150	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03935	1.6
55.01867	1.2
55.05506	11.4
57.03432	1.3
57.07072	4.4
65.03935	2.4
67.05499	25.2
69.03424	1.0
69.06731	1.4
69.07069	17.1
69.63789	6.1
71.04974	1.2
79.05490	18.4
81.07050	44.8
83.04965	0.9
83.08611	9.6
85.06538	4.4
91.05471	22.9
93.07040	37.7
95.04974	4.8
95.08601	72.9
96.08959	1.3
97.06513	1.8
97.10139	5.4
99.08096	1.5
103.05502	1.1
105.07024	44.5
107.04962	2.2
107.08584	48.8
109.06507	2.7
109.10151	41.8
111.08082	4.2
111.11726	1.9
113.09647	2.8
115.05454	1.2
117.06999	10.0
119.08572	57.4
121.06513	0.9
121.10134	38.0
123.08038	1.7
123.11701	16.5
125.09629	2.7
128.06204	1.6
129.07001	4.1
130.07787	2.8
131.08554	21.3
133.10118	44.8
134.10484	1.5
135.08009	1.9
135.11687	27.4
137.09605	1.2
137.13254	6.9
141.06960	1.5
142.07811	2.3
143.08548	11.9
144.09349	2.6
145.10117	35.2
147.08005	1.2
147.11684	31.5
149.02394	2.4
149.09618	1.5
149.13257	21.2
149.14404	1.6
151.14851	1.6
155.08542	4.1
156.09346	2.7
157.10120	16.2
158.10930	1.7
159.11678	33.7
160.12318	1.7
161.09671	1.4
161.13237	20.7
163.11166	2.3
163.14780	11.1
165.12773	1.1
167.08531	1.6
169.10120	7.3
170.10860	2.1
171.11674	14.7
172.12398	1.4
173.09688	1.0
173.13246	22.0
175.11243	1.7
175.14810	25.1
175.16306	1.7
177.12802	2.7
177.16374	17.5
181.10129	2.8
183.11737	7.9
184.12503	2.0
185.13239	13.5
186.13846	1.5
187.14807	24.9
189.12830	1.7
189.16365	19.4
191.14294	4.5
191.17909	7.3
193.04974	2.8
193.16019	1.0
195.11691	2.0
196.12433	1.0
197.13264	5.3
199.14810	13.3
200.15605	1.4
201.16362	32.8
202.16733	0.9
203.14320	1.7
203.17941	17.5
205.15878	3.9
205.19511	1.0
207.17409	1.0
209.13335	2.2
211.14833	6.6
212.15471	1.6
213.16360	12.6
215.14610	1.4
215.17958	23.3
217.15891	1.7
217.19498	7.6
219.17650	1.2
221.13443	1.3
223.14816	3.6
225.16385	5.3
226.17093	1.7
227.17914	10.2
228.18567	1.8
229.15900	1.4
229.19481	7.9
230.19600	1.0
231.17421	1.7
233.19023	2.5
237.16396	2.8
239.17914	3.7
241.19487	6.0
243.17419	2.7
243.21095	7.9
245.19078	2.9
245.22684	1.1
251.17894	2.2
253.19519	5.1
255.21025	5.6
256.26477	1.0
257.22601	3.1
259.20630	1.9
265.19449	1.9
267.21051	6.0
269.19586	1.0
269.22589	6.0
271.20468	1.3
271.24161	1.0
279.21194	2.0
281.22638	2.9
283.20468	2.4
283.24228	1.4
285.22104	1.6
293.22491	1.3
295.24005	1.6
297.22040	2.4
307.23978	1.3
309.25729	2.2
311.19962	0.9
311.23535	1.8
325.25290	2.0
329.21121	3.9
333.25748	1.5
351.26953	1.7
363.30341	4.3
365.28284	1.2
379.29941	1.6
393.35446	8.2
403.24911	1.9
403.33609	16.8
404.34839	0.9
421.25580	3.1
421.34631	100.0
422.29672	2.3
422.34964	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01866	1.5
55.05506	12.9
57.03428	1.8
57.07067	6.1
59.05000	0.8
65.03932	1.5
67.05502	27.0
69.03413	0.8
69.07063	20.5
70.06593	0.7
71.04984	1.9
71.08622	1.5
71.51208	0.8
77.03919	0.8
79.05486	20.0
80.27827	0.5
81.03429	1.7
81.07050	47.4
83.04977	1.6
83.08610	9.6
85.06541	5.2
86.79076	0.6
88.07624	1.6
91.04899	1.3
91.05467	24.2
93.06425	1.0
93.07039	42.5
95.04952	7.1
95.08601	78.3
96.08939	1.7
97.02858	0.6
97.06532	2.4
97.10157	4.6
97.46098	0.5
99.08088	1.3
100.51529	0.7
102.09180	0.7
103.05465	1.2
105.04527	1.1
105.07023	49.2
106.07351	1.4
107.04948	2.2
107.08584	54.6
108.08939	0.7
109.06486	3.6
109.10149	43.3
110.10467	1.1
111.08095	3.4
111.11717	1.9
113.09660	2.0
115.05468	0.9
116.06187	0.9
117.07005	9.8
117.07769	1.0
119.08573	63.3
120.08876	1.3
121.06521	2.5
121.10136	44.7
122.10465	0.8
123.08080	2.6
123.11694	19.0
125.09615	3.6
128.06187	2.8
129.07001	6.0
130.07774	2.3
131.08553	22.4
133.10121	50.0
134.10448	0.8
134.71138	0.6
135.08067	1.6
135.11676	26.4
136.12029	0.6
137.09625	2.1
137.13240	9.6
139.11150	1.2
141.07001	2.1
142.07727	2.7
143.08542	14.1
144.09314	3.2
145.10112	38.7
146.10722	1.3
147.08092	1.0
147.11681	33.9
148.11969	0.8
149.02347	3.9
149.09656	1.4
149.13246	25.9
150.13638	0.7
151.11201	1.5
151.14851	1.9
155.08522	4.4
156.09325	3.0
157.10123	17.3
158.10898	2.9
159.08113	0.8
159.11684	35.3
160.12424	1.7
161.09662	1.9
161.13240	23.9
163.11183	2.0
163.14807	13.6
165.12743	1.3
167.08545	1.0
168.09329	0.8
169.10139	8.6
170.10893	2.1
171.11678	14.4
172.12469	2.0
173.11815	1.2
173.13248	26.1
174.13783	1.3
175.11258	1.3
175.14812	24.4
176.15221	0.8
177.12811	2.6
177.16374	19.0
178.52211	0.7
179.08476	0.8
179.14381	0.7
181.10077	2.7
182.10934	1.2
183.11713	10.0
184.12451	1.5
185.13245	15.6
185.14867	1.0
186.14011	1.2
187.11191	1.4
187.14801	26.5
189.12817	1.3
189.16376	19.9
190.16846	0.6
191.14297	4.0
191.17947	6.9
193.04947	5.4
193.12343	1.0
193.15933	1.7
195.11613	3.1
196.12454	1.6
197.13232	8.2
198.14018	1.3
199.14822	14.3
200.15440	1.3
201.16371	33.8
202.16695	0.6
203.14383	2.5
203.17935	15.0
205.15865	4.2
205.17557	0.6
205.19649	1.1
207.11658	1.0
207.17436	1.5
209.13268	3.6
211.14809	6.1
212.15384	0.6
213.16347	14.8
214.16978	0.6
215.14659	0.9
215.17943	22.4
216.18279	0.6
217.15967	2.2
217.19501	7.1
219.17468	2.7
221.13376	1.0
223.14847	3.0
224.15602	1.0
225.16380	6.4
226.17177	1.5
227.14441	0.7
227.17931	9.3
228.18666	1.2
229.15916	1.8
229.19481	8.8
229.21539	0.8
231.17422	3.5
231.21085	2.5
233.18997	1.8
235.14832	0.9
237.16339	3.1
239.17943	5.2
241.15933	2.3
241.19473	6.7
243.17549	2.0
243.21072	6.1
245.18983	4.2
245.22789	1.2
247.20471	0.8
249.16582	1.0
251.18033	1.7
253.19482	4.6
254.20497	0.9
255.21065	5.9
256.26392	2.9
257.19165	1.2
257.22729	2.2
259.20599	1.4
265.19385	2.7
267.21005	5.7
269.19171	1.5
269.22672	5.7
271.20697	1.9
271.24301	1.8
273.22198	1.4
277.19437	0.9
279.21219	2.5
281.22577	3.6
283.20581	1.4
283.24100	1.3
285.22104	2.1
291.21350	0.8
291.54620	0.6
293.22601	2.5
295.24158	3.3
297.22168	2.2
297.25772	1.8
299.23718	1.3
305.22800	0.7
307.24246	2.0
309.22537	0.6
309.25635	2.8
311.20105	1.3
311.23593	1.3
313.25290	1.0
319.24069	0.7
321.25781	1.3
323.23822	0.7
325.25287	2.1
327.26895	0.7
329.21088	5.6
333.25842	1.8
335.27258	1.3
337.25317	1.4
337.29004	0.7
347.22830	0.9
347.27292	1.3
351.26950	1.7
361.28897	0.8
363.30557	3.2
365.28357	1.5
365.32147	0.7
375.30502	0.9
377.32303	1.5
378.29080	0.8
379.29706	1.4
391.33737	0.9
393.31345	1.2
393.35406	8.1
394.35205	0.6
403.25629	2.8
403.33636	15.6
404.34204	1.0
421.25699	4.9
421.34750	100.0
422.29123	4.7
422.35110	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	421.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01867	7.1
55.05511	25.8
57.03437	9.2
57.07075	2.9
59.04997	3.7
65.03939	4.4
67.05504	100.0
69.03427	4.3
69.07066	20.4
71.05003	6.9
71.52276	1.8
71.52641	1.9
73.06584	1.2
79.05490	49.4
81.03416	17.0
81.07053	53.9
83.04971	11.6
83.08613	15.8
85.02898	2.5
85.06545	5.7
91.05479	51.7
92.05808	1.4
93.07040	39.3
95.04969	44.5
95.08604	47.8
97.02888	1.9
97.06535	5.0
97.10156	11.3
99.08112	2.4
99.69768	1.2
103.05508	2.3
105.07025	40.0
107.04950	18.9
107.08594	28.0
109.02883	2.0
109.06509	9.0
109.10153	58.3
110.10448	2.0
111.08100	5.6
113.09725	1.3
115.05470	4.4
117.07008	12.3
119.04973	3.6
119.08575	38.0
121.06488	15.1
121.10124	15.8
121.10918	1.3
123.08071	8.0
123.11717	5.3
125.09615	8.7
128.06213	3.3
129.07010	16.0
130.07800	1.5
131.04950	2.9
131.08560	26.4
133.06517	4.5
133.10136	28.5
135.04408	1.4
135.08073	5.5
135.11687	10.4
137.09650	6.6
137.13214	3.0
139.11154	2.2
141.07007	3.9
142.07790	4.1
143.08548	10.5
145.06505	3.8
145.10126	21.3
147.08020	6.0
147.11684	16.9
149.02394	2.9
149.09576	6.2
149.13278	5.1
153.07039	1.8
153.09113	1.8
154.07797	1.8
155.08568	6.4
155.10669	3.0
156.09351	2.0
157.06491	2.3
157.10112	20.6
157.11320	1.8
159.08060	2.7
159.11671	17.3
161.09671	5.4
161.13266	6.3
163.11168	8.3
163.14870	4.8
165.12759	2.0
167.08607	3.5
169.10188	5.5
171.08066	2.5
171.11671	10.2
173.09641	2.4
173.11766	15.8
173.13307	9.9
175.11176	13.7
175.14803	8.1
177.12741	4.3
177.16327	3.3
181.10115	1.9
183.11746	4.7
185.09644	2.4
185.13245	8.8
187.11244	3.2
187.14772	10.9
189.09314	3.0
189.11288	5.3
189.12816	2.7
189.16467	5.8
191.14369	1.5
193.04968	2.2
193.12231	14.0
195.11775	3.2
197.13371	5.1
199.11128	2.8
199.14799	7.1
201.12761	4.0
201.16354	8.6
203.10718	6.1
203.12698	2.7
203.14508	2.2
203.18024	4.0
205.12296	3.9
205.15962	1.3
209.13297	3.7
211.13300	2.3
211.15042	1.6
213.16493	4.6
215.14389	2.3
215.18005	4.0
217.12286	3.1
223.13223	2.7
225.16380	2.0
227.18065	3.8
229.14153	1.8
229.19536	3.5
231.13850	3.1
239.17952	2.5
241.19533	1.8
243.21120	1.9
245.15697	1.9
249.14758	6.7
251.17984	1.8
255.20924	1.5
259.02295	1.4
263.16638	1.4
265.19312	1.5
267.21088	2.0
274.04807	2.1
283.20618	2.9
289.07117	5.8
293.19037	2.3
301.21756	4.0
311.20084	11.0
311.23508	2.1
319.22583	1.8
329.21091	58.0
330.21548	4.4
335.07651	1.5
347.22186	8.2
367.22949	2.1
385.23923	3.8
393.13647	4.3
403.24820	31.5
403.33673	5.6
404.25571	2.7
421.25925	58.6
421.35068	32.6
422.26141	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2584
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03935	6.3
55.01874	13.5
55.05280	2.2
55.05515	30.7
57.03442	13.6
65.03936	5.3
67.05506	82.9
69.03430	10.1
69.03735	1.6
69.07069	20.9
71.04984	7.6
71.10896	4.4
71.29295	1.6
77.75598	2.0
79.05498	50.5
81.03414	25.1
81.06599	2.8
81.07057	54.9
83.04980	8.6
83.08613	16.0
85.02901	4.8
85.06533	4.9
91.05482	60.1
93.06491	3.3
93.07042	47.5
95.04968	74.4
95.08611	43.9
97.02868	3.6
97.06538	8.5
97.10175	17.9
105.07030	38.7
107.04958	33.6
107.08595	28.9
109.02885	4.1
109.06516	11.6
109.09467	3.3
109.10154	34.2
111.04440	2.1
111.08055	4.3
115.05437	2.5
117.07022	23.6
119.04941	4.6
119.08585	30.7
121.06507	27.1
121.10145	20.0
123.04412	4.4
123.08070	11.0
123.11698	4.9
125.09633	12.7
128.06178	2.9
129.07016	20.5
131.04918	5.6
131.08559	28.3
133.06494	7.1
133.10115	18.8
135.04431	1.9
135.08037	9.9
135.11679	6.7
137.05969	2.0
137.09608	10.0
139.11140	5.1
141.06998	5.7
142.07738	4.2
143.08571	17.6
145.06482	8.2
145.10139	18.6
147.08095	9.9
147.11705	11.6
149.09616	6.9
149.13249	3.9
155.08566	8.8
155.10709	2.2
157.06500	3.9
157.10130	19.8
159.08025	4.7
159.11708	19.2
161.09569	12.0
161.13324	4.9
163.03973	3.6
163.07579	2.0
163.11230	11.7
163.14786	2.7
165.07065	1.9
165.09058	2.1
165.12737	2.6
167.08597	3.1
169.10124	7.1
171.08040	5.2
171.10338	2.0
171.11713	9.0
173.09592	5.5
173.11740	5.6
173.13242	6.8
175.11168	11.9
175.14830	5.1
177.12753	5.9
177.16458	2.0
181.10109	4.2
183.11729	6.0
185.09641	7.6
185.13242	7.3
187.11195	5.6
187.14839	6.1
189.09254	9.2
189.11218	12.0
189.12656	2.8
191.14374	2.0
193.12167	9.5
195.11662	3.7
197.13313	4.1
199.11244	9.5
199.12968	1.9
199.14835	6.0
201.12794	4.2
201.16408	2.6
203.10675	11.5
203.12668	4.1
203.14464	4.0
205.12257	5.9
209.13348	4.1
211.14799	3.5
213.12776	5.0
213.16397	4.1
215.14397	3.5
217.12213	3.7
219.13921	3.4
223.13278	5.8
229.15958	1.9
231.13872	2.8
233.15295	2.5
237.14775	2.8
239.17810	1.8
241.19516	2.3
249.14841	11.1
259.20514	3.8
263.16397	2.5
283.20544	2.7
293.18851	2.6
301.21588	10.2
311.20087	18.1
313.21759	2.5
329.21106	100.0
330.21463	8.1
341.21112	2.2
347.22131	15.6
349.21579	2.5
367.22754	2.9
375.25180	2.8
385.23776	7.2
403.24728	65.0
403.29742	3.5
404.25259	5.9
421.25876	78.3
421.30685	6.4
422.26166	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	421.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
53.03933	2.9
55.01866	11.9
55.05510	37.2
57.03429	10.7
57.07092	2.1
59.04991	2.4
65.03933	3.9
67.05501	76.5
69.03425	7.6
69.07059	15.8
70.65155	5.9
71.04984	5.7
74.08570	1.9
78.16035	2.3
79.05489	56.9
81.03410	28.0
81.07054	48.5
83.04976	6.8
83.08615	18.9
85.02874	2.4
85.06555	5.0
91.05476	55.8
93.07040	43.1
95.04961	72.0
95.08592	41.1
97.06523	6.0
97.10154	14.2
98.76050	2.0
105.03378	3.9
105.07015	37.3
106.07383	2.0
107.04945	29.3
107.08585	28.0
109.06528	8.7
109.10147	39.2
111.08072	5.6
115.05476	4.1
117.06997	23.0
119.04945	2.2
119.08572	36.8
121.06503	26.4
121.10143	22.6
123.04401	4.2
123.08059	10.4
123.11699	5.0
125.09641	11.3
128.06276	3.6
129.07002	18.7
131.04919	4.1
131.08562	29.5
133.06487	7.0
133.10123	21.4
135.08086	7.4
135.11676	13.0
137.09608	9.6
139.11156	4.2
141.07010	6.3
142.07806	5.5
143.08568	15.6
144.09334	2.8
145.06506	6.8
145.10104	26.1
147.08038	10.0
147.11627	11.3
149.09627	7.9
149.13257	6.0
153.09085	4.1
155.08594	6.8
157.06464	5.8
157.10112	19.3
159.08052	5.5
159.11664	21.9
161.09631	8.3
161.13269	4.8
163.11182	8.4
163.14796	5.2
167.08621	3.8
168.09268	2.5
169.10147	5.5
171.11617	10.4
173.09644	3.1
173.11752	7.5
173.13274	12.8
175.11212	7.6
175.14790	5.3
177.12801	5.8
181.10133	3.8
183.11713	6.4
185.09663	4.4
185.13289	8.6
187.11232	3.2
187.14879	7.5
189.09138	8.7
189.11189	5.2
189.12724	2.9
189.16368	5.0
193.12207	15.3
195.11736	3.7
197.13298	6.0
199.11195	6.1
199.14902	10.2
201.12769	4.3
201.16394	6.8
203.10698	9.6
203.12778	6.1
203.14444	2.8
203.18034	3.3
205.12305	7.1
209.13264	3.1
213.12825	2.7
213.16331	3.0
215.14520	2.6
215.17953	2.3
217.12207	3.7
219.17592	2.4
221.13345	2.3
223.13272	5.2
227.17946	3.3
231.13849	3.7
243.13918	2.6
249.14922	10.2
275.05414	2.5
283.20627	4.9
285.10013	2.5
301.21704	8.9
311.19968	24.6
329.21085	100.0
330.21539	6.2
347.22018	14.3
358.83847	2.7
367.22818	3.7
375.25409	2.4
385.23849	5.5
403.24786	54.2
403.29718	4.3
403.33432	3.3
404.25296	3.9
421.25882	78.9
421.30826	11.1
421.35803	12.4
422.26413	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	421.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.6
55.05515	1.1
56.55789	1.0
67.05502	2.4
67.97389	0.9
69.07056	1.9
71.51641	1.2
79.05474	1.1
81.07058	1.5
89.06011	1.4
91.05480	4.2
93.03430	0.9
93.06996	2.3
95.04953	1.2
95.08604	3.1
105.06998	1.5
107.08576	1.6
109.10168	1.2
113.03957	0.9
117.06995	1.7
119.08590	1.9
121.10122	2.1
121.64572	0.9
125.05976	1.1
129.06950	1.1
135.11694	1.6
137.05949	1.4
138.03117	2.3
143.08546	1.5
145.10143	1.5
147.11662	0.9
151.07545	1.8
153.05464	2.6
153.09082	1.8
155.07040	1.4
161.79214	1.0
166.02682	2.7
167.07010	2.8
169.10150	1.2
181.04944	100.0
181.08504	12.2
181.10071	1.8
182.05280	2.4
183.06483	5.6
184.03658	2.8
200.49084	1.1
209.08072	34.9
239.18034	1.5
260.27084	0.9
421.23663	4.5
421.35071	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01860	4.3
57.03428	3.4
59.80111	1.8
60.04516	4.2
65.03931	3.2
67.05476	3.7
69.03406	2.1
70.83299	4.0
78.04684	2.5
79.05491	14.7
81.03410	3.6
81.07041	4.4
83.04953	2.8
85.02889	3.2
85.06549	2.0
91.05482	24.0
93.07036	10.6
94.04026	1.6
95.04967	11.6
97.06519	2.8
103.05466	10.2
105.03381	2.1
105.06989	6.8
107.04946	33.3
107.08553	2.4
109.02763	2.3
109.06529	4.0
111.04446	2.0
115.05405	3.6
117.07002	3.8
119.04899	5.5
119.08546	5.0
121.06511	20.7
123.04424	19.5
123.08054	2.1
124.05193	7.2
125.05968	4.4
127.03888	4.4
128.06198	8.5
129.07005	32.8
130.04083	2.2
130.06511	4.8
131.04890	7.4
131.08546	6.2
132.05795	2.1
133.02792	2.6
133.06461	5.6
134.03679	2.7
134.07053	2.0
135.04425	5.3
137.05962	23.4
138.03082	2.9
140.04657	3.3
141.06825	1.9
143.04878	2.3
143.08551	2.0
145.06461	7.6
147.04402	41.9
147.08047	17.1
148.05161	3.7
149.05968	22.4
151.03917	5.0
151.07527	6.5
152.04649	3.4
152.06110	3.0
153.05461	33.6
153.06776	3.3
154.06221	3.5
157.06447	17.3
157.07579	2.9
159.07951	3.2
160.05205	2.9
161.05922	10.0
161.09575	2.2
163.07585	9.7
165.05455	5.5
165.06982	8.6
166.06233	7.7
166.07555	2.4
167.03351	7.2
167.07033	100.0
167.08461	5.8
171.08075	2.9
173.05914	2.1
175.07529	96.7
176.06296	2.5
176.07846	4.7
177.06906	3.2
179.07018	6.9
179.08530	3.1
180.07750	8.9
181.05006	3.7
181.06522	6.5
181.08585	74.3
182.07254	3.9
182.08794	2.4
183.06487	1.7
183.07996	4.1
185.05896	2.2
187.07585	2.6
189.05405	2.1
189.09055	3.7
191.07025	3.9
191.08565	5.8
193.08582	14.9
194.07274	3.0
195.08015	16.0
197.05936	4.4
197.09546	4.7
198.06752	4.3
204.04208	2.3
207.08081	2.5
208.08835	3.4
209.05922	4.8
209.09641	4.5
210.06627	3.7
211.07567	8.5
212.08319	2.4
213.05476	2.8
213.09116	4.7
218.07272	2.0
219.06375	22.2
219.08075	4.3
219.09824	2.4
221.06032	3.4
223.07480	11.4
223.11078	2.5
225.05452	2.9
225.09077	4.1
226.06194	4.6
227.07005	7.3
235.07445	4.3
236.08319	2.7
237.05447	3.5
237.09073	5.9
238.06163	3.2
239.07039	9.3
240.07825	4.3
241.08548	9.9
243.10138	6.2
247.07494	3.2
248.08357	2.0
251.07072	5.2
251.10675	9.9
253.08591	7.2
254.09351	2.9
255.06552	4.4
255.09941	2.6
256.07425	2.2
257.07901	3.9
265.08585	4.1
267.06622	2.0
267.10089	1.9
268.07327	3.0
269.08060	16.6
269.11716	5.1
270.08774	5.0
271.06238	3.5
271.09616	15.2
273.07733	3.0
279.10159	4.9
283.09659	7.6
283.13132	3.8
285.08124	2.1
285.11261	3.7
286.08527	2.7
288.09891	8.4
297.11288	9.6
299.09247	3.1
300.09933	2.2
301.10767	29.2
302.11252	3.5
303.12363	9.0
315.12073	3.2
317.13852	5.3
329.13803	26.4
332.12466	10.1
345.13388	9.8
346.14056	35.4
347.14871	56.0
403.13840	6.3
421.19125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1341
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03428	0.9
69.03432	3.1
71.01348	0.6
71.50277	0.8
71.50694	0.8
73.02884	0.9
78.03463	0.8
81.03410	2.0
81.04530	0.8
81.11228	0.5
83.14311	0.6
85.02903	5.2
89.07175	0.9
97.02870	2.0
106.02895	4.1
107.03241	1.5
109.02871	2.2
115.03967	0.6
123.04430	5.2
124.03954	9.0
125.04282	3.6
127.03919	100.0
128.04245	1.7
133.04984	0.8
137.02402	0.5
137.05910	0.6
139.03850	0.8
145.04929	1.0
147.04443	0.9
153.01848	1.1
163.03885	1.1
167.03358	0.6
178.84775	0.6
184.82776	0.7
195.01573	0.6
226.82535	0.7
251.07489	1.5
259.16486	2.0
268.08313	1.5
269.08514	4.2
271.06339	0.7
289.09180	1.9
301.54837	0.6
341.96597	0.7
421.16846	13.1
421.22360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14237	2.1
55.01876	5.0
55.05488	3.0
57.03422	3.2
58.87620	2.1
59.05005	2.5
65.03940	2.9
67.05498	2.6
67.36788	2.1
69.03413	13.0
70.06584	8.0
70.39523	2.3
71.26750	2.3
71.27100	5.7
73.02910	7.5
79.05498	6.2
80.30974	2.4
81.03410	6.0
81.07027	4.8
83.04989	4.2
83.06084	3.2
84.04487	5.6
85.02908	26.3
88.85828	2.4
91.05460	9.9
93.07034	7.8
95.04965	6.3
95.08603	9.8
97.02879	9.2
97.06537	30.5
105.07025	4.3
107.08569	16.6
109.02857	3.5
109.06526	7.6
109.10135	8.9
111.04465	3.3
112.07610	3.9
115.03946	4.6
119.08563	19.7
120.08152	5.7
121.06531	6.0
121.10142	3.5
123.04417	5.6
123.08121	3.3
127.03911	6.6
130.06544	3.1
131.04906	3.2
133.05000	5.8
133.06468	2.5
133.10156	6.5
135.08032	3.6
136.07526	4.0
137.05989	7.9
137.09607	28.5
139.07529	28.1
145.05000	4.9
147.08032	2.9
151.03867	3.5
151.11151	27.0
161.09608	13.3
163.06044	3.1
163.11090	3.0
165.09145	2.8
167.07037	7.3
174.02396	2.3
179.07217	2.8
179.10657	100.0
179.12222	5.0
180.10974	3.5
197.11728	46.9
223.13298	9.5
241.14311	31.0
251.10121	2.7
265.59167	2.5
403.18805	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18600	0.9
55.01882	4.6
57.03433	9.5
61.02927	5.3
65.03922	1.2
69.03433	11.0
69.56493	4.0
69.56897	2.5
71.01359	2.1
71.73945	1.0
73.02914	11.7
81.03379	1.1
85.02901	28.2
87.04462	1.9
91.05477	100.0
92.05843	1.4
97.02886	30.0
98.03188	1.1
103.03935	1.5
105.07021	1.9
109.02866	1.8
115.03916	9.7
117.07048	1.7
123.04498	1.4
127.03909	6.8
129.07007	1.9
132.06618	1.4
133.04955	14.3
133.06450	2.8
145.04941	11.3
145.06548	1.4
150.07599	3.2
157.06509	1.2
161.04451	2.8
163.06001	5.2
175.07568	1.1
203.21141	1.1
213.89148	1.0
217.08603	3.4
223.05902	1.3
235.09729	1.8
241.07050	2.5
253.10785	2.8
259.08353	1.1
279.64606	1.0
410.47626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01868	6.1
57.03436	12.5
59.04996	1.1
61.02650	1.2
61.02924	13.6
65.03930	2.2
69.03429	27.4
70.82915	2.7
71.01334	3.4
71.04978	1.7
73.02914	71.7
80.60893	1.0
81.03421	3.3
85.02901	56.6
86.03200	1.8
87.04444	3.8
91.03919	3.1
91.05479	100.0
92.05786	3.4
97.02888	53.0
97.03402	0.8
97.03532	1.9
98.03181	1.1
99.04427	1.7
103.03916	3.1
105.07006	4.2
109.02858	4.6
115.03926	24.4
117.07018	2.1
123.04431	2.1
127.03909	20.8
129.06999	4.4
131.04912	1.2
131.08562	2.5
132.06520	1.2
133.04958	28.7
133.06456	5.2
145.04948	22.2
145.06477	2.2
146.05287	1.0
147.08044	1.1
149.06020	1.0
150.07567	3.3
152.30240	1.0
157.05103	1.3
157.06485	3.1
161.04510	2.4
163.06013	10.9
169.04814	1.0
171.08057	1.8
175.07555	2.1
181.04938	1.5
187.07481	1.2
192.67168	1.1
193.04919	2.0
205.08601	3.3
217.06859	1.7
217.08691	2.5
223.06088	5.2
235.09621	2.2
241.07129	6.3
246.10077	1.0
253.10693	4.4
259.08145	9.0
277.09250	1.6
295.10178	2.9
339.68433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
55.67410	1.6
55.77256	1.7
56.13680	1.8
57.03437	19.9
59.04998	4.1
60.04518	3.0
61.02930	2.2
69.03429	69.1
70.82841	4.6
73.02908	6.6
75.04485	2.5
81.03417	2.4
85.02378	2.6
85.02902	53.5
85.99401	1.7
86.03236	1.8
87.04468	47.5
91.05481	100.0
92.05822	2.8
97.02892	67.5
99.04432	2.3
105.07036	4.1
107.04948	7.3
115.03926	77.9
116.04251	2.1
117.05535	1.9
117.47858	1.5
123.04449	1.9
127.03938	7.0
129.07074	2.1
133.04964	86.8
133.06502	4.8
134.05251	2.0
135.04456	1.7
139.03905	1.9
145.04971	10.2
145.06468	3.4
145.55052	1.7
150.07663	9.6
161.04431	3.9
163.06009	4.2
171.08380	1.6
175.07666	2.3
205.08650	2.3
217.08731	2.2
223.09651	10.8
241.07040	2.6
253.10638	3.9
259.08157	3.5
271.06378	1.7
295.10461	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	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07183	0.4
51.02369	0.8
51.83857	0.5
53.03938	1.7
55.01869	0.6
57.03430	1.8
61.02914	0.9
69.03428	11.5
70.76135	1.3
71.04987	1.1
73.02916	0.9
78.03448	9.0
80.05009	2.1
81.03419	14.7
81.04513	0.5
82.42177	0.4
85.02908	7.2
86.06110	0.4
87.04468	0.8
95.04965	0.5
96.04499	3.9
97.02894	3.9
99.04452	3.9
106.02914	43.9
109.02868	8.7
115.03966	0.8
117.05510	1.4
123.04433	1.5
124.03947	100.0
125.04286	1.7
127.03916	13.1
135.06535	1.1
140.03319	0.5
145.04979	0.7
163.03922	0.6
166.04951	1.1
170.06471	0.6
172.98814	0.5
187.74673	0.5
195.00871	0.4
232.06062	3.6
250.07101	13.4
250.10835	0.6
259.02261	0.5
268.08154	61.9
269.08517	1.6
273.09045	0.9
303.01334	1.2
379.01651	0.5
398.74667	0.4
420.15051	7.2
421.16660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74022	0.3
53.03920	0.3
55.01870	4.9
67.05482	1.1
69.03412	0.4
69.07050	0.9
70.40285	0.3
71.52815	0.5
79.05475	1.4
81.07056	1.8
87.93315	0.3
91.05480	3.6
93.03358	0.5
93.07019	1.2
95.04965	1.5
95.08601	1.6
105.07027	2.0
107.08569	1.3
107.35373	0.3
109.06483	0.6
109.10143	0.8
111.04416	0.7
117.07005	1.1
118.42777	0.3
119.08529	1.8
121.06521	0.5
121.10111	0.7
123.08048	0.5
125.05969	0.9
129.07010	0.9
131.08542	0.9
133.06450	0.5
133.10077	1.0
135.08047	0.4
135.11659	0.5
137.05934	0.7
138.03136	2.0
141.07018	0.7
143.08571	0.7
145.10115	1.5
149.02283	0.4
149.05959	0.6
151.03879	0.8
151.07533	1.1
153.05461	1.5
153.09077	0.9
155.06975	0.6
155.08528	0.5
157.10109	0.5
159.11699	0.4
164.50978	0.3
166.02602	1.4
166.06279	0.5
166.07748	0.4
167.03421	0.5
167.07028	2.6
167.08521	1.3
169.10120	0.8
171.11627	0.5
173.13290	0.4
175.14824	0.3
178.07640	0.4
179.03391	1.2
179.07042	0.3
179.08562	0.4
181.04941	100.0
182.05275	2.1
183.06532	2.9
184.03668	1.6
185.13278	0.3
187.14815	0.4
193.10103	0.6
195.11684	0.3
197.13219	0.5
199.14844	0.7
201.00201	0.3
209.08087	22.7
210.08473	1.0
211.14761	0.4
223.14745	1.7
225.15968	0.4
237.16383	2.7
247.14795	0.5
283.09723	0.4
285.11423	0.5
327.22888	0.3
356.82718	0.4
419.22180	2.9
419.28104	0.6
419.33298	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	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74022	0.3
53.03920	0.3
55.01870	4.9
67.05482	1.1
69.03412	0.4
69.07050	0.9
70.40285	0.3
71.52815	0.5
79.05475	1.4
81.07056	1.8
87.93315	0.3
91.05480	3.6
93.03358	0.5
93.07019	1.2
95.04965	1.5
95.08601	1.6
105.07027	2.0
107.08569	1.3
107.35373	0.3
109.06483	0.6
109.10143	0.8
111.04416	0.7
117.07005	1.1
118.42777	0.3
119.08529	1.8
121.06521	0.5
121.10111	0.7
123.08048	0.5
125.05969	0.9
129.07010	0.9
131.08542	0.9
133.06450	0.5
133.10077	1.0
135.08047	0.4
135.11659	0.5
137.05934	0.7
138.03136	2.0
141.07018	0.7
143.08571	0.7
145.10115	1.5
149.02283	0.4
149.05959	0.6
151.03879	0.8
151.07533	1.1
153.05461	1.5
153.09077	0.9
155.06975	0.6
155.08528	0.5
157.10109	0.5
159.11699	0.4
164.50978	0.3
166.02602	1.4
166.06279	0.5
166.07748	0.4
167.03421	0.5
167.07028	2.6
167.08521	1.3
169.10120	0.8
171.11627	0.5
173.13290	0.4
175.14824	0.3
178.07640	0.4
179.03391	1.2
179.07042	0.3
179.08562	0.4
181.04941	100.0
182.05275	2.1
183.06532	2.9
184.03668	1.6
185.13278	0.3
187.14815	0.4
193.10103	0.6
195.11684	0.3
197.13219	0.5
199.14844	0.7
201.00201	0.3
209.08087	22.7
210.08473	1.0
211.14761	0.4
223.14745	1.7
225.15968	0.4
237.16383	2.7
247.14795	0.5
283.09723	0.4
285.11423	0.5
327.22888	0.3
356.82718	0.4
419.22180	2.9
419.28104	0.6
419.33298	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	419.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01876	4.9
55.05491	0.2
55.07366	0.2
56.00026	0.2
57.40501	0.2
65.03930	0.5
67.05496	0.8
69.07062	0.8
69.56694	0.7
69.57106	1.0
79.05487	1.0
80.02628	0.3
81.07059	1.7
83.04996	0.3
83.08580	0.3
91.05474	3.6
93.03397	0.2
93.07041	1.2
95.01304	0.4
95.04981	1.4
95.08600	1.2
103.05466	0.5
105.07041	1.4
107.08577	1.0
109.06500	0.5
109.10133	0.4
111.04418	0.7
115.05446	0.4
117.07043	1.4
119.08589	1.4
121.06535	0.3
121.10126	0.5
123.04441	0.4
123.08091	0.4
125.05990	0.7
126.83542	0.2
129.06992	0.7
131.08563	1.0
133.06467	0.7
133.10129	0.7
133.99547	0.2
135.07979	0.3
135.11652	0.3
137.05952	0.8
138.03166	1.9
139.07585	0.3
141.06989	0.6
143.08562	0.6
145.10135	0.9
147.11707	0.5
149.05989	0.5
151.03879	0.6
151.07553	0.8
153.05452	1.4
153.09085	1.0
155.07068	0.5
155.08507	0.5
157.10121	0.6
159.11684	0.7
163.07436	0.3
165.05501	0.3
165.06935	0.3
166.02660	1.4
166.07745	0.3
167.03389	0.5
167.07031	1.9
167.08609	1.1
169.10118	0.6
171.11746	0.3
179.08629	0.4
181.04953	100.0
182.05267	1.7
182.08923	0.3
183.06549	2.5
184.03645	2.0
191.07054	0.4
193.05020	0.4
193.10112	0.2
195.11771	0.5
197.13385	0.3
199.14742	0.2
205.10175	0.3
209.08092	23.1
210.08405	0.9
223.14902	1.3
235.14919	0.3
237.16335	1.6
243.10086	0.3
247.14928	0.3
265.15927	0.3
277.57300	0.2
285.11319	0.2
355.95782	0.2
419.22287	2.9
419.28195	0.5
419.33203	1.3
419.38800	0.5
435.51605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
51.76311	1.2
53.03926	3.3
55.01872	60.6
55.05494	3.0
57.03419	1.6
64.95645	1.4
65.03938	11.1
67.05500	6.4
68.99769	1.9
69.03418	4.7
69.07056	2.5
69.59866	6.9
69.60281	2.5
78.04702	2.4
79.05497	10.8
81.03398	3.2
81.07074	6.5
82.04195	4.3
83.04954	1.6
85.02905	7.3
85.06543	1.9
89.03915	1.7
91.05498	9.4
91.75760	1.2
92.05785	1.5
93.03401	2.1
93.07019	5.5
95.04980	9.5
95.08595	5.6
97.02881	3.3
97.06509	5.2
103.05467	13.7
105.07038	16.8
106.04155	1.7
107.04964	15.1
107.08572	2.9
108.02116	1.3
109.02873	3.3
109.06470	2.5
109.10136	3.6
110.03628	5.2
111.04467	2.6
115.05431	6.0
116.06191	1.8
117.07011	4.1
118.04118	2.8
119.04938	3.0
119.08564	4.4
121.06495	8.5
121.10123	2.9
123.04424	13.2
123.11714	1.8
124.05250	3.3
125.05978	3.9
129.06982	5.7
131.04932	9.6
131.08546	5.7
133.06499	13.6
133.10095	3.8
134.03624	2.5
135.04393	2.7
135.08052	2.0
135.11696	2.3
137.05956	2.6
138.03047	2.7
140.04665	1.4
141.06966	2.9
142.02603	2.5
142.07710	1.4
143.04999	1.7
144.05667	5.5
145.02844	1.6
145.06491	4.4
145.10132	2.3
147.11748	2.0
148.05170	2.1
149.06003	17.1
149.09627	1.4
151.03900	2.4
153.01842	3.1
153.05446	4.5
153.58525	1.3
155.07014	2.6
155.08644	1.6
157.06496	1.7
157.10130	2.3
159.04401	5.1
159.08026	5.9
161.05984	18.9
163.03874	3.0
163.07538	3.4
167.07037	76.1
168.07358	6.0
169.07622	3.4
171.06555	6.9
172.05209	2.6
173.05977	4.3
173.63252	1.5
174.06599	1.6
175.07600	3.5
177.05467	55.9
181.04947	100.0
181.08449	3.3
182.05344	2.4
183.06551	3.8
187.07465	9.1
191.07051	17.7
193.08614	8.6
199.03856	1.6
203.06999	2.0
205.08582	11.4
209.08093	92.5
210.08504	2.0
217.08678	2.5
218.09444	2.2
219.08101	2.8
219.10178	8.7
221.07974	3.3
227.03300	1.5
235.09613	4.6
241.80261	1.6
247.07416	2.7
247.09666	7.7
248.08345	1.5
249.08943	2.7
249.11263	6.2
255.47186	1.5
264.07706	1.7
265.10693	5.8
279.10095	1.5
285.08398	1.4
295.09604	1.5
307.09528	2.8
323.09229	1.4
327.09647	2.3
350.62924	1.5
351.11945	2.5
369.13306	9.0
371.15051	2.0
373.10394	1.5
383.15051	1.6
386.16858	1.6
387.11551	2.3
387.96277	1.4
389.15460	5.0
401.16052	9.6
419.16910	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	419.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.9
55.01858	11.1
55.05493	8.0
57.03425	6.4
57.07059	7.8
65.03915	4.3
67.05492	13.6
69.03416	16.3
69.07046	10.5
69.92101	14.2
71.04973	7.6
73.02870	3.7
73.23504	3.4
73.47935	3.6
79.05480	22.2
81.03406	10.3
81.07049	19.3
83.04963	8.3
85.02903	18.9
85.06540	5.5
91.05469	21.9
93.07053	18.0
95.04945	16.2
95.08603	18.4
97.02884	9.0
97.06523	13.0
105.03403	3.8
105.07034	17.8
107.04954	37.8
107.08571	10.6
109.02845	10.1
109.06524	6.6
109.10164	7.1
111.04401	3.9
111.08043	4.9
115.05469	5.7
117.03328	3.9
117.07008	9.8
119.08584	7.3
121.02856	5.3
121.06469	7.9
121.10123	11.8
123.04419	67.0
123.11684	7.2
124.05225	5.4
125.06001	4.2
125.09715	4.8
127.03915	5.1
127.11173	5.3
127.89513	4.3
128.06219	6.3
129.07002	14.1
131.04930	7.5
131.08589	19.4
133.06468	11.6
133.10133	8.2
135.11711	6.0
137.05910	10.4
139.03902	5.3
141.06969	4.6
143.08556	4.8
144.05669	14.2
145.04953	5.0
145.06461	11.0
145.10152	5.4
147.04330	5.8
147.11624	4.7
149.05957	6.4
149.09608	8.0
151.07495	5.9
152.04628	7.1
153.01875	5.6
153.12721	15.4
155.08446	5.4
157.06488	7.9
159.08095	24.8
160.05119	6.5
160.07518	4.7
161.05971	13.8
161.09563	6.6
162.06285	4.1
163.03844	7.0
167.05653	7.1
167.07030	100.0
168.07347	12.8
169.07611	8.3
170.07249	7.9
171.04372	4.3
171.11653	4.1
173.05951	12.9
174.06714	4.4
175.07585	8.4
177.05435	11.7
177.09103	6.1
179.06979	5.6
181.04980	18.0
181.06375	5.1
183.06581	29.0
187.07539	16.2
189.05418	3.9
193.08580	8.4
197.12953	4.9
199.03868	9.1
199.07452	6.2
203.06895	6.5
204.07884	6.1
205.06694	4.6
205.08594	9.2
209.07901	4.9
216.07619	5.6
217.08565	14.3
218.09180	5.7
219.08026	11.2
219.10161	29.9
221.06119	5.5
221.08096	10.7
227.03383	15.7
231.10045	8.9
233.09619	5.4
234.06721	3.9
235.07573	7.4
236.08400	4.9
247.07486	11.2
248.08238	9.2
248.76389	4.4
249.08827	9.6
249.11217	92.9
251.07004	5.0
261.08994	3.9
262.06146	5.2
263.07068	9.3
263.10632	5.2
264.07806	8.8
276.07959	4.5
279.10040	10.3
287.05490	43.8
291.09967	6.3
292.07233	3.9
295.09528	4.2
307.09668	16.1
311.12927	4.7
319.09671	4.7
323.09216	7.0
325.06931	9.0
325.10464	5.4
337.10565	7.0
338.11200	5.0
339.11951	4.1
351.12003	6.2
369.13385	55.0
383.14658	6.2
389.15808	21.1
401.15930	79.2
419.07516	4.8
419.16684	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
57.03412	1.0
61.02905	1.7
67.05485	1.4
68.99780	0.8
69.03422	1.6
71.51184	1.1
73.02520	0.7
73.02911	14.1
73.93674	0.6
78.04709	0.6
79.05474	2.4
81.03401	0.9
81.07045	2.7
85.02884	1.6
89.78711	0.6
91.05472	1.4
93.07056	1.3
95.04952	2.2
95.08601	1.2
95.13698	0.5
97.02838	0.6
103.05452	0.9
104.51083	0.6
105.07027	1.3
107.04955	3.2
107.08566	0.6
109.02833	0.9
109.10139	1.1
111.00740	0.6
111.08044	0.6
111.49677	0.6
111.90671	0.5
114.84926	0.5
115.03923	1.0
115.05434	0.7
117.07032	0.6
121.02869	3.4
121.10189	0.6
123.04414	3.9
124.05158	0.5
129.07005	1.1
131.04922	1.2
131.08574	1.1
133.06512	0.7
137.02315	1.2
137.05934	0.7
144.05742	0.9
145.06477	1.6
147.04385	1.7
147.08066	0.7
153.01831	4.6
157.06445	1.2
159.04448	1.1
159.08017	1.3
161.05988	1.0
163.03883	0.8
165.01837	1.6
167.07034	6.9
168.07399	1.6
173.05960	0.8
177.05367	1.0
181.04915	1.5
183.02893	1.3
183.06554	1.3
187.03725	0.6
187.07570	1.7
205.08458	1.0
213.05457	1.2
215.03433	0.9
219.08130	1.1
219.10173	2.0
233.15553	0.6
235.07407	0.7
239.20164	0.7
247.07555	1.0
248.08409	0.8
249.08994	0.7
249.11270	5.0
258.05231	1.2
259.05792	0.8
264.07739	0.7
277.08517	0.8
279.10104	0.9
287.05490	100.0
288.05862	3.3
297.07437	0.7
307.09674	0.9
323.12524	0.7
325.07019	0.9
369.13330	3.6
379.06592	0.6
389.15552	1.2
401.16046	4.7
419.07709	1.2
419.17102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.45378	0.6
53.03926	0.9
55.01868	2.0
55.05488	0.8
57.03428	3.5
57.07062	0.8
59.04982	0.8
66.18701	0.7
67.05486	0.9
68.99757	0.8
69.03429	1.3
69.07064	0.7
69.38023	2.1
69.38435	4.0
71.04982	0.8
73.02898	1.4
78.08826	0.7
79.05469	3.1
81.07037	1.1
81.17512	0.7
83.04974	0.9
85.02879	2.7
91.05477	1.9
93.07050	1.2
94.54126	0.7
95.04958	2.0
95.08573	1.7
97.02869	1.4
97.06500	1.2
105.03378	1.7
105.07011	2.7
107.04925	2.8
107.08558	2.4
109.02887	1.4
115.03915	1.3
115.05393	1.0
117.07018	1.2
119.08586	1.1
121.02869	3.3
121.10123	0.9
123.04423	7.5
127.03914	1.8
129.06976	1.6
131.08540	2.1
133.04915	1.6
133.10158	0.9
135.04419	1.0
137.02333	1.3
137.05986	1.0
143.08592	0.8
145.06453	1.2
147.04370	2.4
153.01826	5.3
153.12791	1.2
157.06468	1.6
159.08084	2.0
160.07536	0.8
163.07529	1.0
165.01894	1.4
167.07019	11.5
168.07399	1.0
169.07666	1.2
170.07162	0.7
173.05957	1.5
177.05455	1.0
181.04935	1.1
183.02876	1.2
183.06479	2.2
187.07536	3.0
189.09059	1.0
191.06918	0.7
195.08081	0.8
201.60329	0.8
203.07039	1.2
204.07835	1.0
213.05518	2.1
217.08582	1.0
219.10136	1.7
231.10129	1.2
241.04915	1.1
248.08267	0.8
249.11234	8.4
257.04205	0.8
258.05136	1.2
264.07687	1.9
279.10226	1.1
287.05484	100.0
288.05847	4.0
290.06042	0.8
291.10040	0.9
293.07819	0.8
297.07480	1.1
307.09570	1.2
325.06955	1.1
330.10950	1.1
337.10910	0.9
353.06259	1.0
369.13419	5.2
389.15799	2.2
401.15939	7.8
419.16040	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	419.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
57.03412	1.0
61.02905	1.7
67.05485	1.4
68.99780	0.8
69.03422	1.6
71.51184	1.1
73.02520	0.7
73.02911	14.1
73.93674	0.6
78.04709	0.6
79.05474	2.4
81.03401	0.9
81.07045	2.7
85.02884	1.6
89.78711	0.6
91.05472	1.4
93.07056	1.3
95.04952	2.2
95.08601	1.2
95.13698	0.5
97.02838	0.6
103.05452	0.9
104.51083	0.6
105.07027	1.3
107.04955	3.2
107.08566	0.6
109.02833	0.9
109.10139	1.1
111.00740	0.6
111.08044	0.6
111.49677	0.6
111.90671	0.5
114.84926	0.5
115.03923	1.0
115.05434	0.7
117.07032	0.6
121.02869	3.4
121.10189	0.6
123.04414	3.9
124.05158	0.5
129.07005	1.1
131.04922	1.2
131.08574	1.1
133.06512	0.7
137.02315	1.2
137.05934	0.7
144.05742	0.9
145.06477	1.6
147.04385	1.7
147.08066	0.7
153.01831	4.6
157.06445	1.2
159.04448	1.1
159.08017	1.3
161.05988	1.0
163.03883	0.8
165.01837	1.6
167.07034	6.9
168.07399	1.6
173.05960	0.8
177.05367	1.0
181.04915	1.5
183.02893	1.3
183.06554	1.3
187.03725	0.6
187.07570	1.7
205.08458	1.0
213.05457	1.2
215.03433	0.9
219.08130	1.1
219.10173	2.0
233.15553	0.6
235.07407	0.7
239.20164	0.7
247.07555	1.0
248.08409	0.8
249.08994	0.7
249.11270	5.0
258.05231	1.2
259.05792	0.8
264.07739	0.7
277.08517	0.8
279.10104	0.9
287.05490	100.0
288.05862	3.3
297.07437	0.7
307.09674	0.9
323.12524	0.7
325.07019	0.9
369.13330	3.6
379.06592	0.6
389.15552	1.2
401.16046	4.7
419.07709	1.2
419.17102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
53.68754	1.2
55.01874	1.8
56.90427	1.1
57.03448	1.4
59.00158	1.1
59.04993	1.3
60.48075	1.1
63.19559	1.1
67.05530	1.7
69.03434	11.7
69.60436	8.0
70.06594	2.5
71.04990	2.4
72.04504	1.8
73.02920	2.4
79.05492	1.5
80.85991	1.1
81.03421	8.8
81.07063	3.5
85.02887	7.7
85.06504	1.8
88.89633	1.2
91.05487	1.6
93.07024	3.2
94.04172	1.3
95.04987	2.0
97.02889	17.8
98.21478	2.5
99.04454	3.5
105.07008	2.3
107.04961	1.3
109.02895	6.6
111.38849	1.1
115.05440	8.0
121.10137	3.7
122.03636	4.7
123.11716	2.7
127.03920	6.6
131.04901	1.2
133.10161	1.5
134.47203	1.3
137.05974	100.0
143.04921	62.2
145.04964	9.6
147.04401	2.3
151.07500	1.7
160.05200	3.2
161.05960	20.0
163.07462	1.2
167.07031	3.1
167.10693	2.4
169.06497	1.4
173.13231	1.8
174.06712	1.2
175.07544	53.2
176.07951	1.4
179.07013	12.9
185.06001	3.4
187.07523	3.1
189.09149	3.4
199.07570	8.7
203.07030	40.0
217.08560	3.2
221.08089	33.6
227.07126	4.0
235.09572	1.2
238.14444	2.0
241.08766	1.5
245.08055	6.0
246.14786	1.4
259.09607	1.4
287.08957	1.8
329.10123	2.9
347.11230	17.4
365.12292	36.1
365.16803	1.8
385.15329	2.1
418.15842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
57.03420	1.9
69.03418	11.0
70.03764	1.2
70.06604	2.3
70.82758	3.5
71.04978	3.2
79.05475	2.5
81.03407	8.7
81.07060	1.6
85.02905	11.9
91.05499	2.8
93.07041	2.9
95.08639	1.6
97.02888	22.6
99.04468	3.7
100.37789	1.5
103.03924	1.8
107.04967	1.6
107.08609	1.8
109.02874	11.9
115.03988	1.2
115.05458	6.8
117.07039	1.8
122.03594	3.8
123.04420	3.9
127.03035	1.8
127.03914	11.1
128.80644	1.8
133.06502	1.4
137.02412	2.0
137.05972	100.0
138.06288	2.0
143.04916	60.1
143.08615	1.5
144.05270	1.9
145.04961	7.8
145.06491	1.7
146.03673	1.5
147.04442	4.0
147.08093	1.7
149.06039	2.3
151.03967	1.3
151.07530	2.9
160.05202	4.6
161.05988	21.0
167.07089	4.0
168.07370	1.9
171.07974	1.4
172.83206	1.3
175.07541	58.4
176.07982	1.5
179.07030	15.3
181.05014	1.9
185.06004	4.0
187.07547	2.5
189.05499	1.7
189.09096	3.3
191.06987	2.2
199.07562	13.3
203.07021	41.3
217.08551	4.1
221.05956	2.7
221.08080	44.4
227.06998	5.0
233.17149	1.8
241.08560	1.6
245.08061	9.5
263.09238	3.2
287.01840	18.1
287.09137	3.8
305.10263	1.5
321.46783	1.5
329.10196	6.6
347.11227	22.9
365.12332	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	418.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
65.67508	0.7
69.03436	1.2
71.04971	1.0
71.51027	1.0
81.07033	1.4
82.06570	1.0
89.09062	0.7
91.05443	1.4
93.06996	1.2
95.04918	0.8
99.04458	0.8
100.07594	1.2
107.08578	1.0
115.05447	0.9
117.06983	1.0
121.10123	0.7
123.04398	2.0
133.10118	1.1
137.02319	1.9
140.04970	4.1
143.06035	0.7
145.06438	0.7
147.11618	1.2
149.09583	0.8
154.06447	1.9
155.06032	19.4
156.06383	0.7
163.03987	0.9
166.06500	1.2
167.05980	3.8
167.07175	12.2
168.07370	9.2
169.07597	33.5
170.05995	1.7
173.06015	1.7
174.06332	1.6
179.06017	11.0
180.06776	1.1
181.04948	4.8
181.07613	2.5
182.05894	1.1
182.08397	2.1
183.05531	16.1
183.09174	1.6
185.07098	11.4
192.06898	0.8
193.07596	13.4
194.06004	2.2
195.05525	31.7
196.04585	1.1
196.06314	15.0
197.07097	25.1
198.05536	5.6
198.07158	1.2
199.05031	0.8
201.06598	1.9
203.17854	0.8
207.05469	7.0
208.06355	1.2
209.07057	4.4
210.07825	1.3
211.05051	2.0
211.08644	5.2
213.06595	22.2
214.06787	0.7
221.07088	22.1
223.05026	3.5
225.06575	44.7
227.04640	0.7
227.08118	1.5
229.06082	21.2
234.08437	1.2
235.09526	0.8
236.10085	0.8
237.06554	5.4
238.07404	3.8
239.04398	3.1
239.08131	29.1
241.06017	3.7
243.07634	8.1
249.06578	9.4
253.06023	5.4
255.07617	2.2
256.08578	1.0
257.05566	5.6
257.09000	0.9
265.06042	3.6
266.06842	1.2
267.04788	1.0
267.07632	19.7
269.05591	3.5
271.07129	31.8
272.07489	1.1
277.06030	9.7
280.07120	0.8
283.07172	1.3
285.08691	37.9
287.02234	1.3
287.05484	32.1
295.07120	36.4
296.07535	0.9
304.74759	0.7
312.09769	1.8
313.08148	45.3
314.08423	0.9
315.05078	1.1
316.05307	5.1
322.57556	0.8
328.05347	2.1
331.09241	15.9
336.09763	1.5
340.05331	1.1
340.09280	5.5
342.06970	1.2
354.10815	4.4
358.10315	45.0
359.10706	1.0
370.06378	2.9
372.11856	5.7
382.06464	1.0
382.10410	8.0
388.14655	3.0
400.11438	55.8
401.11615	1.1
418.12360	100.0
419.13022	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	417.3361
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
55.05501	1.0
55.83429	0.4
57.03455	0.5
57.07072	0.9
65.03929	0.8
67.05494	2.8
69.07058	2.6
70.06583	1.4
70.07423	0.5
71.04989	9.4
79.05492	3.2
81.07052	8.0
83.08604	0.8
84.76036	0.5
85.06542	12.1
88.07645	0.6
91.05453	2.7
93.07038	9.4
95.04950	1.0
95.08602	8.6
97.06538	1.5
97.10146	0.5
105.07023	7.0
105.32502	0.4
107.08588	12.2
107.96886	0.4
108.08933	0.6
109.06542	1.1
109.10146	4.2
111.08081	0.8
117.06995	1.3
119.08574	12.1
121.06460	0.6
121.10141	7.7
123.08050	1.0
123.11694	2.7
125.06037	0.8
125.09634	0.6
129.07004	0.7
131.08572	3.1
132.10185	0.7
133.10127	10.0
135.08015	2.0
135.11690	12.5
137.09625	0.8
137.13275	0.7
143.08556	0.8
145.10132	4.0
146.11787	0.5
147.11679	5.4
149.13254	8.0
151.11137	0.6
155.08534	0.5
157.10152	1.4
159.11684	5.7
161.13269	3.8
163.11121	0.6
163.14801	1.9
165.12779	0.5
167.07040	2.0
171.11726	2.1
173.13237	2.8
175.14844	1.7
177.12729	5.6
177.16396	0.9
179.14336	0.8
181.04982	1.1
183.11661	1.0
185.13283	1.3
187.11139	0.4
187.14769	2.6
189.12737	0.7
189.16370	15.5
190.16731	0.6
191.14357	1.8
191.17981	0.7
193.15871	0.7
195.13786	2.8
197.13391	0.6
199.14850	0.7
201.16418	1.6
203.14389	0.8
203.17941	1.1
205.15881	0.8
207.17441	7.4
213.16412	1.2
215.17982	1.4
217.15865	0.6
217.19489	0.6
219.17490	0.7
221.19051	0.5
224.69069	0.4
225.16463	0.7
227.18054	1.2
231.17459	0.6
241.19606	0.6
243.17534	0.7
245.19072	1.9
259.20615	0.7
273.22321	0.4
285.22137	1.4
312.32550	0.6
356.35291	2.9
381.31567	4.9
382.32144	0.5
399.32584	11.6
399.37888	0.7
400.32904	0.9
417.33627	100.0
418.33905	7.8
418.39008	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	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82738	1.5
55.05499	2.5
60.17692	1.3
65.03928	2.7
67.05500	4.8
69.03437	4.7
69.07069	2.7
71.10270	2.9
73.48708	1.7
78.04723	3.2
79.05492	5.3
81.03400	2.0
81.07050	5.2
85.02905	5.4
91.05486	3.5
93.07023	3.0
95.04980	2.3
95.08603	5.0
97.46235	1.6
105.07085	3.4
106.04155	2.4
107.04947	4.7
107.08601	2.4
109.02847	2.5
109.10156	4.7
115.05460	4.9
117.07009	7.2
119.08567	3.0
121.10127	2.7
123.04454	8.3
131.04953	3.1
133.10107	2.8
135.11658	2.6
136.08929	1.5
137.05960	1.7
145.06482	9.9
145.10112	2.1
147.11626	2.5
149.09778	1.6
151.03856	1.9
151.07529	1.9
152.04759	1.8
153.01848	2.7
153.72601	1.6
155.06032	2.4
159.08325	1.7
159.11720	3.0
167.07031	100.0
168.07408	3.7
173.06007	17.1
181.04948	29.3
191.06941	2.5
201.16396	2.8
205.08604	4.0
219.17506	2.0
231.01134	2.6
233.08115	8.4
235.09706	3.7
255.06526	79.2
256.06772	4.0
263.09412	1.7
280.91010	1.8
387.14185	11.4
417.10349	2.6
417.15488	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	417.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11497	0.8
53.03944	1.1
55.01871	2.5
55.05508	5.0
57.03433	2.0
57.07064	1.2
58.92453	0.8
58.99574	3.4
59.41963	0.8
65.03947	2.5
67.05505	5.3
68.99786	1.7
69.03423	5.8
69.07061	3.6
69.48357	3.8
69.48784	3.1
71.04972	6.0
73.02922	0.9
75.00713	1.0
78.04699	3.6
79.05495	8.6
81.03415	3.2
81.07055	10.7
83.04968	1.8
83.08614	2.2
85.02888	3.3
85.06532	2.1
86.99044	2.4
87.00764	0.9
89.00606	1.7
91.05473	6.8
93.03416	0.9
93.07043	8.4
95.04960	3.7
95.08582	8.6
97.02887	1.5
97.06510	1.8
97.10187	1.2
99.08087	2.1
103.05451	2.4
105.01885	1.0
105.03400	4.2
105.07027	12.7
106.04118	1.3
107.04942	4.6
107.08588	10.7
109.02862	2.8
109.06506	2.2
109.10169	4.7
110.03690	1.5
111.08103	1.6
113.00593	0.9
115.00175	1.3
115.05455	3.2
117.00079	3.1
117.06985	5.6
119.04952	1.0
119.08592	7.3
121.02853	1.8
121.06472	1.6
121.10133	5.9
123.04423	8.2
123.08047	2.1
123.11697	1.3
124.05175	2.0
125.09667	4.2
127.05375	1.3
129.03349	2.2
131.08595	6.0
133.10130	15.7
135.08055	1.7
135.11671	1.5
135.21217	1.0
137.02394	1.2
137.05986	1.2
137.09610	1.0
138.03111	1.3
139.05754	1.3
139.11179	0.9
141.01839	1.1
143.10632	4.9
145.06448	7.7
145.10095	4.0
147.04362	1.7
147.08026	1.1
147.11684	3.6
149.02365	2.1
149.13252	3.9
151.03912	2.1
151.11166	1.7
152.04668	1.5
153.03632	0.9
153.05418	1.7
155.06015	3.0
158.10880	0.9
159.11694	3.6
161.13240	2.7
163.03847	1.5
163.14833	2.5
164.21179	0.9
165.01822	7.2
167.03362	3.3
167.07028	100.0
167.14311	7.6
168.07384	4.1
168.52647	0.9
169.12257	1.0
173.05962	15.3
173.13211	5.6
175.14806	1.2
177.01825	1.1
181.04950	25.1
182.05341	2.2
183.02882	3.6
185.04276	2.5
189.12827	1.0
191.07072	1.7
191.14241	5.1
201.16426	3.0
204.91237	0.9
205.08621	3.0
213.05423	1.0
219.17447	7.6
223.11440	2.9
233.08057	6.4
235.09555	2.4
237.18549	2.5
241.10379	1.8
241.12766	7.5
251.07002	9.0
254.05711	2.6
255.06473	5.2
263.07007	1.1
265.08533	6.6
267.06516	80.5
268.07022	11.7
269.07880	1.2
278.05682	1.3
279.06522	10.4
279.09738	2.0
281.07996	2.5
283.10861	1.5
289.08557	2.2
291.06390	1.3
292.07056	1.4
293.04681	1.4
293.08020	17.7
294.08350	1.7
297.07550	53.2
298.07922	4.9
301.11804	1.3
305.08072	2.7
307.09607	10.6
308.09927	1.0
317.07996	3.6
321.07538	27.9
322.07840	2.3
333.07538	9.1
335.09012	2.4
345.07498	7.3
351.08670	14.8
352.08997	1.3
363.08670	13.0
364.08841	1.7
381.09634	13.4
381.13910	1.5
382.10083	1.7
387.14334	9.0
393.60812	1.1
399.10617	6.3
417.15652	22.0
417.26175	1.4
418.15695	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	417.2482
Annotation	Dendroside C
Peak:m/z	Relative Intensity
53.03920	1.3
53.42888	1.2
55.01861	2.9
55.05500	4.2
56.18658	1.0
57.03429	1.4
58.99572	1.9
59.25116	1.1
65.03938	2.2
67.05489	5.2
68.99762	1.1
69.03432	7.2
69.07043	5.7
69.24398	12.7
71.04984	7.2
78.04683	2.8
79.05488	11.0
81.03415	2.7
81.07051	15.5
82.04210	1.3
83.04976	1.7
83.08607	2.2
85.02888	5.2
85.06542	1.5
91.05464	9.9
93.03375	1.5
93.07028	7.6
95.04935	4.3
95.08620	12.4
97.02889	1.7
97.06522	4.3
97.10149	2.6
99.08078	1.6
103.05447	3.5
105.03390	5.4
105.07029	14.7
106.04143	1.9
107.04949	4.0
107.08595	12.1
109.02846	4.1
109.06527	2.6
109.10144	7.4
110.51529	1.1
111.04428	1.6
115.05475	3.8
117.00076	3.5
117.07007	5.9
118.04109	1.0
119.08572	8.4
121.06518	1.4
121.10133	5.3
123.04421	7.3
123.11700	1.8
124.05212	2.0
125.09631	7.5
127.03947	1.4
127.07580	1.2
127.11137	1.3
129.03336	1.9
131.04922	1.6
131.08542	3.6
133.10123	20.5
135.08109	1.3
135.11688	3.4
137.05983	1.7
141.01852	1.3
143.10677	6.5
145.06493	8.6
145.10101	4.6
147.04399	2.4
147.11644	5.4
149.02238	1.9
149.09610	1.2
149.13197	5.5
151.03922	1.4
151.11243	1.7
152.04677	1.8
155.06082	3.7
159.08064	1.5
159.11703	3.0
161.13245	3.4
163.14792	2.5
165.01837	8.2
167.03342	4.5
167.07031	100.0
167.14297	10.2
168.07362	4.9
171.06496	2.6
171.11681	1.8
173.05978	18.0
173.13226	8.3
175.07530	1.4
179.14120	1.2
181.04950	26.7
182.05399	1.8
183.02879	4.2
185.04352	3.1
191.03557	1.5
191.06999	2.9
191.14336	6.1
201.16385	2.9
205.08586	3.9
219.17407	8.3
223.07495	2.4
223.11530	2.8
233.07994	8.3
235.09610	3.5
237.18521	2.1
239.07036	2.1
240.11433	1.3
241.10413	2.5
241.12674	7.0
251.07040	9.5
254.05833	1.5
255.06520	4.3
263.07007	2.7
265.08609	6.5
267.06506	92.4
268.07114	13.9
269.07840	1.7
279.06467	10.8
279.09811	2.3
281.08075	3.9
283.10727	2.5
285.07672	1.4
291.06558	1.6
291.30197	1.3
292.07312	1.4
293.04865	1.7
293.08038	17.8
294.08527	1.7
297.07556	64.2
298.07901	5.2
301.11856	1.7
305.07907	2.8
307.09613	13.1
317.07944	2.1
321.07547	28.2
322.07962	3.9
333.07574	11.3
334.07950	1.7
335.09195	1.4
345.07727	7.7
351.08633	14.5
352.08844	2.0
363.08652	14.3
364.08710	1.5
381.09702	13.1
387.14304	12.3
397.76724	1.3
399.10617	6.0
399.19250	1.4
417.15701	27.8
418.15823	1.7
429.24908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01856	2.5
55.05494	4.3
57.03428	1.4
58.99563	1.5
61.02926	1.2
65.03916	2.8
67.05512	5.8
68.99810	1.0
69.03422	6.8
69.07059	5.8
69.59924	7.7
71.04993	6.0
78.04695	3.1
79.05482	6.1
80.64895	1.1
81.03400	2.6
81.07050	12.9
82.56605	0.9
83.04992	1.5
83.08596	1.1
85.02885	4.0
85.06522	2.8
86.99030	2.3
91.05474	8.5
93.07043	6.9
95.04952	4.5
95.08605	9.4
97.02866	1.8
97.06509	2.6
97.10168	1.1
99.02656	1.1
99.08085	2.7
103.05458	3.3
105.03388	3.1
105.07023	14.2
107.04951	5.9
107.08588	12.5
109.02863	3.8
109.06500	2.0
109.10147	6.0
115.05425	3.7
117.00035	1.7
117.07021	5.6
119.04839	1.0
119.08553	4.5
121.06525	1.3
121.10124	6.5
123.04405	8.2
123.08054	1.6
123.11682	1.7
124.05186	3.0
125.05977	1.5
125.09612	5.7
127.03916	2.1
127.07580	1.9
127.11145	2.2
129.03372	1.9
129.08255	1.1
131.04861	1.2
131.08543	4.6
133.10107	20.5
135.08078	1.4
135.11662	1.3
137.05972	1.6
141.01770	1.4
141.15469	1.2
143.10661	6.2
145.06488	8.5
145.10112	4.9
147.04356	1.7
147.07965	1.0
147.11659	5.8
149.13310	5.6
151.03922	1.4
151.11172	1.0
152.04649	3.0
155.05949	2.4
157.10088	1.3
158.10843	1.2
159.11690	2.9
161.05914	1.2
161.09703	1.2
161.13232	2.3
163.03899	1.8
163.14836	1.4
165.01825	6.4
167.03394	2.4
167.07027	100.0
167.14320	9.7
168.07396	3.0
171.06467	2.1
173.05984	13.2
173.13234	2.9
181.04936	25.3
181.06520	1.3
182.05278	1.1
183.02859	2.5
185.04340	1.7
185.06003	1.3
187.03984	1.6
191.03336	1.1
191.06982	2.2
191.14316	4.5
201.16373	2.9
205.08563	3.2
205.12070	1.0
219.17488	7.9
219.19487	1.6
223.11406	2.4
233.08032	8.5
235.09625	3.8
237.18422	3.3
239.07262	1.4
239.10872	1.3
241.10495	1.7
241.12604	4.0
251.06976	7.8
254.05737	2.2
255.06633	3.7
265.08673	6.5
267.06494	64.7
268.07034	11.9
279.06519	9.5
279.09421	1.6
289.08591	2.4
291.06348	2.3
293.04825	1.8
293.08044	13.3
294.08505	1.6
297.07559	40.8
297.10941	2.1
298.07877	4.0
305.08054	2.1
307.09628	9.6
308.10257	1.5
317.07956	1.5
321.07562	22.2
322.07983	2.1
333.07510	6.2
335.08951	2.0
345.07504	6.8
346.08035	1.2
351.08563	10.5
363.08603	13.1
381.09628	8.8
387.14386	10.6
399.10495	3.5
417.15540	24.5
418.15829	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	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.60640	0.4
53.03923	0.5
55.01862	0.5
63.02401	0.5
65.03918	1.2
67.05501	0.7
70.65224	1.4
70.65593	0.4
78.04722	3.4
79.05501	1.9
81.03385	0.4
82.04221	0.7
85.02883	1.1
91.05464	1.8
93.03382	0.5
95.04953	1.5
97.06545	0.5
98.21356	0.6
103.05442	1.2
105.03400	0.4
106.04182	2.2
106.04790	0.4
107.04974	2.2
110.03657	0.6
111.04391	0.9
115.05448	3.9
117.07016	5.4
121.02880	0.4
121.97952	0.4
123.04418	7.7
123.75205	0.4
124.05229	3.0
125.05978	0.5
127.05434	0.4
134.03616	0.7
135.04420	0.6
137.05914	0.6
140.75827	0.4
142.02586	0.6
143.04950	0.5
144.05664	0.5
145.06482	9.4
147.08029	0.6
149.71410	0.4
151.03911	1.6
152.04697	2.5
155.06041	3.1
167.07034	100.0
168.07365	2.4
171.06531	1.1
173.05983	14.8
181.04950	18.2
181.06569	0.9
182.05168	0.5
201.05493	0.9
205.08565	3.1
222.10855	0.5
233.08035	7.5
235.09587	3.6
245.59027	0.4
387.14343	13.3
388.14401	0.5
417.15421	30.4
418.15747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
51.39372	0.2
53.03920	0.3
54.52733	0.2
55.01858	0.5
55.05496	0.5
63.12249	0.2
65.03642	0.2
65.03939	2.1
67.05498	0.8
69.03414	0.4
70.84419	0.5
73.88830	0.2
75.77840	0.3
78.04325	0.3
78.04707	2.8
79.05503	1.9
81.03413	0.4
81.07052	0.7
82.04182	0.5
83.05000	0.3
85.02885	1.1
91.05483	1.2
93.03362	0.7
93.07008	0.5
95.04961	1.4
96.05728	0.4
97.02855	0.3
97.06527	0.4
100.11241	1.0
101.05996	0.3
103.05466	1.1
105.03374	0.5
105.07040	0.4
106.04166	1.8
107.04953	2.6
109.02797	0.4
109.06473	0.3
109.10123	0.3
110.03655	0.5
111.04416	0.3
115.05444	3.1
117.00100	0.2
117.06237	0.5
117.07010	6.1
121.10085	0.2
123.04426	7.6
124.05205	3.3
125.05965	0.9
127.05441	0.9
131.04872	0.6
137.05975	0.6
138.03096	0.4
142.02623	0.6
145.06477	9.5
147.08031	0.4
151.03883	1.7
152.04668	2.0
153.05447	0.3
155.06021	3.5
155.07149	0.4
167.07028	100.0
168.07350	2.3
171.06529	1.4
172.05081	0.3
173.05975	14.3
174.06340	0.5
175.07556	0.8
181.04944	21.1
182.05304	0.6
190.06274	0.4
191.07071	0.5
201.05417	0.8
205.08575	3.2
209.16431	0.4
210.14687	0.3
215.78784	0.3
218.05688	0.3
233.08061	7.8
234.08395	0.6
235.09657	3.8
237.02907	0.3
314.07736	0.4
387.14340	13.4
388.14932	1.3
417.15421	25.7
418.15909	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03925	0.6
55.01852	0.4
55.05510	0.2
57.03413	0.3
62.70073	0.2
65.03941	1.3
67.05507	1.2
69.03414	0.9
69.07046	0.2
71.04974	0.3
71.50999	0.4
71.81587	0.2
75.16085	0.2
78.04706	3.2
79.05483	1.3
81.03397	0.8
81.07044	0.9
82.04190	0.4
83.04971	0.3
85.02911	1.2
91.05495	1.4
93.03393	0.4
93.07035	0.7
95.04959	1.1
95.08588	0.5
96.05717	0.3
97.06502	0.5
103.05453	1.4
105.03358	0.3
105.07015	0.7
106.04153	1.9
107.04958	1.4
107.08601	0.4
108.02063	0.3
109.02879	0.3
109.10133	0.3
110.03649	0.7
115.05448	3.2
117.06245	0.4
117.07013	5.1
119.08561	0.5
121.02827	0.3
121.06532	0.3
121.10113	0.4
122.03640	0.5
123.04426	6.9
123.11745	0.3
124.05205	2.5
125.05988	0.5
127.05418	1.0
131.04884	0.2
133.10130	0.3
134.03629	0.5
135.04387	0.4
135.08044	0.3
135.11679	0.3
137.02269	0.2
137.05930	0.6
138.03108	0.4
142.02707	0.5
143.04855	0.4
144.05629	0.4
145.06474	8.4
147.08012	0.4
151.03879	1.5
152.04700	2.0
153.05408	0.7
155.04898	0.4
155.06041	3.4
159.11581	0.4
161.06021	0.3
167.07030	100.0
168.07350	2.1
171.06526	0.6
172.05275	0.3
173.05978	15.0
174.06317	0.4
175.07492	0.7
181.04945	19.2
182.05260	0.3
190.06181	0.3
201.05469	0.7
201.16444	0.3
205.08583	3.1
217.08588	0.3
233.08046	6.7
235.07520	0.4
235.09621	3.3
237.18530	0.5
241.12666	0.3
323.09125	0.4
355.11731	0.3
387.14355	13.7
388.14703	0.8
417.15433	29.9
418.15768	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	417.1179
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	1.6
55.01876	1.7
55.05514	1.3
57.03416	1.0
65.03918	0.9
67.05500	1.7
68.99811	1.2
69.03445	1.6
69.07060	0.8
69.91310	3.4
70.06593	0.8
71.04979	1.6
78.04707	2.9
79.01864	4.0
79.05474	2.8
81.03411	3.4
81.07051	1.5
83.04977	0.7
85.02898	2.9
86.78799	0.8
91.05476	2.1
93.03388	1.0
93.07051	3.2
95.04968	2.7
95.08589	3.1
97.02876	1.5
97.06512	1.1
99.04474	1.0
103.05467	3.2
105.03390	16.1
105.07058	0.9
106.03674	1.2
107.04942	2.8
109.02872	3.2
109.06477	0.9
109.10146	1.2
110.03647	1.6
115.05434	4.4
117.07013	6.3
119.08585	2.6
121.10129	2.6
123.04423	9.4
123.08141	1.1
123.11712	1.0
124.05193	3.4
125.02315	1.0
127.03860	1.3
131.04884	0.7
133.10143	1.3
137.05966	1.2
138.03152	1.2
145.06467	7.5
147.04420	1.4
149.09586	0.9
151.03941	2.1
151.11176	0.7
152.04680	2.0
155.06017	2.9
161.06032	1.2
165.01884	2.3
167.07031	100.0
171.02969	1.2
171.06552	1.3
173.05971	13.5
177.05418	1.4
179.03374	0.9
181.04941	18.4
183.02887	1.6
189.05498	0.9
191.03406	0.8
197.05977	2.2
205.08565	3.9
211.07567	1.1
217.04947	3.5
226.06367	0.8
227.07021	2.5
233.08069	8.4
235.09615	4.3
239.06989	5.9
240.07780	8.5
243.02821	1.7
243.06523	2.2
251.06836	1.2
255.06593	4.3
257.65973	0.9
261.04007	3.5
263.07010	0.9
267.06509	69.3
268.07263	34.9
269.07928	2.6
279.06534	13.4
281.08090	16.5
282.05295	1.5
292.07312	3.5
293.08084	5.9
295.06021	3.2
295.09332	1.2
297.07562	89.1
298.07883	3.0
305.08020	1.4
307.06180	1.6
307.09570	19.4
309.07565	4.7
311.09268	0.9
314.13968	0.8
321.07559	20.6
327.08594	4.7
333.07654	1.9
335.09161	5.4
339.08566	1.9
351.08621	17.2
363.08621	10.5
381.09653	30.5
382.10089	1.2
387.14349	14.6
395.64453	0.8
399.10712	40.0
417.11682	50.3
417.15665	15.7
417.23724	1.5
418.11719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.118
Annotation	Daidzin
Peak:m/z	Relative Intensity
55.01880	0.2
55.05508	0.2
65.03931	0.3
67.01858	0.6
67.05483	0.4
68.99788	0.5
69.03426	0.3
70.80276	0.2
70.80604	0.3
76.39418	0.2
78.04691	0.5
79.05474	0.5
81.03436	0.4
81.07042	0.8
82.04221	0.3
85.02890	0.5
90.74483	0.2
91.05468	0.6
93.07027	0.5
95.04964	0.5
95.08601	0.3
97.06519	0.2
103.05457	1.1
105.03402	0.6
105.07017	0.5
105.28795	0.2
106.04173	0.3
106.47219	0.2
107.04936	0.7
107.08571	0.4
109.02896	0.2
109.10147	0.5
115.05441	0.6
117.07036	1.2
119.08565	0.4
121.06526	0.2
121.10124	0.3
121.83961	0.1
123.04429	1.7
123.08048	0.2
123.11740	0.2
124.05213	0.5
125.05978	0.2
127.05456	0.2
129.03346	0.5
129.06966	0.2
131.04904	0.3
131.08572	0.2
133.10138	0.3
134.03583	0.2
135.11760	0.2
137.34596	0.2
139.03831	0.2
145.06450	1.8
145.10046	0.2
147.04349	0.8
147.08124	0.2
151.03934	0.3
152.04672	0.4
153.01831	3.6
155.06044	0.4
159.11713	0.2
161.05995	0.2
163.07495	0.3
167.07033	19.9
171.02930	0.4
173.05974	3.4
181.04950	5.2
181.06549	0.4
182.05246	0.2
187.07521	0.3
191.07018	0.5
201.05461	0.3
205.08549	0.8
209.06003	0.5
213.05421	0.2
219.17506	0.2
231.06511	0.3
233.08087	1.5
235.09581	0.9
255.06506	100.0
256.06851	3.1
387.14362	2.6
390.07712	0.2
417.15512	5.3
430.10056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33292	0.1
53.03923	0.1
55.01854	0.2
55.05500	0.3
57.03436	0.2
65.03924	0.6
67.01862	0.8
67.05476	0.5
68.99795	0.4
69.03418	0.3
69.07059	0.3
69.32290	1.1
71.04964	0.2
77.03947	0.2
78.04681	0.6
79.05508	0.7
81.03407	0.4
81.07050	0.8
85.02889	0.6
85.06516	0.2
91.05450	0.5
93.07024	0.4
95.04951	0.6
95.08578	0.5
97.06493	0.3
98.20772	0.2
103.05463	1.3
105.03386	0.6
105.07017	0.4
106.04200	0.2
107.04937	0.6
107.08567	0.4
109.02857	0.3
109.06477	0.4
109.10101	0.5
110.03642	0.2
111.08086	0.2
111.79430	0.1
115.05460	0.7
117.07008	1.3
119.08560	0.4
121.06475	0.2
121.10110	0.3
123.04436	2.1
123.11724	0.2
124.05189	0.5
125.05921	0.3
125.09675	0.2
127.03877	0.1
129.01779	0.2
129.03358	0.6
129.07001	0.1
130.04141	0.1
131.04945	0.2
131.08513	0.2
132.05734	0.2
133.10069	0.2
135.11665	0.2
137.02310	0.2
137.05951	0.2
139.03926	0.3
140.49944	0.1
143.08513	0.2
145.06476	1.8
145.10085	0.2
147.04391	0.6
147.08008	0.2
147.11647	0.2
151.03896	0.4
152.04681	0.6
153.01819	3.9
155.06020	0.7
157.06438	0.2
159.11632	0.2
161.05971	0.2
163.07475	0.2
167.07033	20.4
168.07375	0.3
171.02859	0.4
171.04286	0.2
171.06535	0.4
173.05978	2.7
175.07613	0.2
177.08994	0.1
181.04933	5.4
187.07475	0.3
191.07004	0.5
195.06445	0.2
201.05331	0.1
205.08600	0.8
209.05971	0.5
213.05472	0.3
213.76799	0.2
217.08647	0.1
233.08028	1.6
235.09746	0.7
237.18591	0.3
255.06505	100.0
256.06833	2.8
387.14365	2.8
417.15466	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	417.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01874	2.6
55.05489	2.5
57.03429	1.9
58.99560	1.4
65.03935	2.7
66.29942	0.9
66.63047	0.9
67.05511	4.5
68.99776	2.0
69.03426	5.5
69.07053	2.9
71.04997	4.4
71.18399	1.7
78.04710	2.0
79.05479	6.2
81.03424	2.4
81.07059	8.8
83.04975	1.4
85.02905	5.8
85.06504	1.5
86.99038	2.2
88.04153	1.1
89.00639	1.1
91.05467	6.3
93.03410	1.2
93.07028	5.8
95.04969	4.5
95.08588	6.3
97.02897	1.5
97.06527	2.3
97.10178	0.9
99.04454	1.3
99.08080	2.2
103.05437	3.1
105.03368	4.9
105.07036	8.5
107.04951	5.0
107.08582	9.0
108.02039	1.2
109.02883	3.4
109.06514	2.0
109.10157	4.9
110.03622	1.4
115.05450	3.5
117.00086	1.2
117.07016	6.5
119.04937	1.4
119.08565	3.8
121.02892	2.1
121.06415	1.2
121.10171	3.5
123.04418	6.2
123.08042	1.4
124.05193	1.8
125.05942	1.0
125.09610	4.2
129.03371	3.1
129.07001	1.1
131.04944	1.8
131.08562	3.1
133.10130	11.7
135.11691	1.5
137.09589	1.2
141.01875	2.2
143.08495	1.0
143.10660	3.8
145.06506	6.7
145.10106	3.5
147.04407	3.7
147.08083	1.2
147.11676	4.2
149.02357	3.0
149.09587	1.0
149.13277	3.2
151.03873	1.7
152.07480	0.9
155.06036	2.5
159.11703	2.2
161.05988	1.0
161.13327	1.8
163.03970	1.3
163.14818	1.7
165.01842	10.9
167.03358	3.2
167.07030	84.2
167.14302	6.6
168.07312	1.5
171.06499	1.2
173.05969	12.7
173.13252	5.6
177.01682	1.2
179.77621	1.0
181.04951	24.8
182.05377	1.0
183.02890	5.5
187.07762	1.0
191.07051	2.2
191.14349	3.5
201.16382	1.8
205.04805	1.1
205.08604	2.6
209.41647	1.0
213.05461	1.7
219.17441	4.4
223.07558	1.8
223.11429	1.5
233.08104	8.7
235.09641	5.1
237.18535	1.8
239.07098	1.8
241.10417	2.1
241.12552	3.2
251.07013	13.0
254.05745	4.0
255.06500	4.0
265.08542	9.0
267.06512	100.0
268.07178	10.5
277.08414	1.4
279.06509	11.8
279.10150	3.6
280.93311	1.1
281.07950	1.7
289.08636	3.1
291.06567	2.6
292.07117	1.7
293.04593	2.3
293.08017	22.1
297.07559	66.0
298.07889	3.3
305.08072	3.0
307.09637	12.5
317.08093	3.2
321.07562	33.4
322.07874	1.4
333.07617	9.1
334.08093	1.3
335.09146	2.9
345.07620	10.3
346.07898	1.1
351.08633	17.5
363.08594	17.3
381.09604	15.8
382.09976	1.2
387.14368	11.0
399.10471	7.9
417.15579	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	416.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.4
59.46480	1.0
62.16980	0.9
67.05499	3.4
69.07046	1.5
78.88365	0.9
79.05488	2.4
81.84803	0.9
95.08602	6.4
98.21657	2.1
103.44129	1.4
107.04959	13.3
108.05720	1.1
115.57173	0.9
117.05512	1.0
121.06491	1.4
122.07292	16.7
123.08092	10.6
124.08827	1.5
129.73997	1.0
135.08040	7.5
137.05963	1.9
150.05559	2.4
150.06766	49.6
151.07544	85.3
152.08243	4.3
163.07582	3.6
163.11195	1.6
164.08408	1.4
173.09619	1.4
176.08284	1.5
177.09052	2.2
191.10664	24.7
242.00552	0.9
416.19687	2.6
416.36487	100.0
417.20963	1.8
417.36761	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	416.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.05499	5.4
65.03938	3.6
67.05504	8.0
69.07061	7.3
69.16910	31.3
71.04994	3.1
79.05492	7.8
81.07057	14.7
83.04972	3.4
83.08592	3.0
83.42875	2.3
85.02904	7.7
91.05472	7.1
92.97298	2.8
93.07051	12.5
95.04961	11.8
95.08607	14.8
100.93463	3.0
101.47111	2.7
105.07056	14.0
107.08614	17.2
109.10144	11.2
111.04466	3.0
115.05468	4.1
117.07013	13.5
119.08601	13.9
121.06520	4.6
121.10152	10.9
123.04446	7.4
123.08054	3.4
123.11720	5.9
131.08595	5.4
133.10141	8.0
135.11700	7.5
137.13286	3.0
143.08545	3.1
145.06467	14.1
145.10054	12.3
147.11685	4.2
149.13277	3.0
157.10205	2.7
159.11639	13.0
161.13297	6.4
167.07031	100.0
173.05991	17.1
173.13319	4.0
175.14856	7.3
177.46100	2.8
181.04962	29.6
189.16402	2.9
191.17993	6.4
201.16417	11.6
219.17435	7.0
233.08043	6.9
235.09750	4.4
252.18738	3.1
276.21851	2.7
387.14316	13.0
416.28726	4.1
417.15494	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	415.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17813	0.7
53.03939	2.0
55.01873	1.0
55.05510	8.7
57.07070	2.6
65.03927	1.6
67.05504	10.3
69.03423	1.3
69.07071	8.1
71.04965	1.7
71.08631	1.6
71.51662	1.5
71.52064	0.8
79.05492	9.6
79.64912	0.9
81.03426	1.3
81.07053	27.4
82.07368	0.9
83.04967	2.4
83.05431	0.8
83.08622	3.1
85.06537	3.0
88.78446	0.7
91.05463	16.9
91.85217	0.8
93.07040	27.0
95.04982	2.4
95.08607	32.6
97.06512	2.3
97.10196	1.1
99.04436	4.3
101.05997	2.2
103.05474	1.6
105.06317	1.0
105.07029	23.7
107.08593	31.9
109.06526	3.5
109.09476	1.5
109.10159	16.6
111.08075	7.4
111.30241	0.8
115.14056	0.8
117.07011	5.4
119.08580	100.0
120.08897	3.2
121.06495	1.9
121.10140	22.6
123.08061	2.3
123.11705	6.5
125.09604	1.2
129.07007	1.2
131.08560	7.3
133.06413	1.5
133.10115	19.2
135.08032	2.9
135.11685	32.1
137.09612	1.4
137.13242	1.9
139.07549	1.0
139.11214	1.3
143.08562	2.1
145.10123	14.3
147.08044	1.0
147.11679	19.1
149.09589	1.5
149.13257	22.9
150.13574	1.0
151.11168	1.8
153.09044	1.5
157.10120	3.0
159.11678	17.1
161.09634	1.7
161.13255	15.2
162.03061	1.0
163.11185	3.6
163.14822	6.4
165.12721	2.0
167.10709	1.0
169.10121	0.9
171.11661	3.6
173.13258	6.5
175.11185	1.6
175.14815	8.4
177.12753	11.0
177.16380	3.1
181.04964	2.4
181.12270	4.9
183.11690	1.4
185.13214	2.4
185.34483	0.9
187.14833	5.3
189.12730	1.6
189.16365	10.3
191.14314	3.0
191.17911	2.0
191.97900	0.8
193.04893	1.1
193.12251	2.1
195.13776	13.3
197.13284	0.9
199.14781	2.0
201.16364	7.3
203.14236	1.4
203.17963	4.6
205.15923	3.4
207.13826	7.3
207.17433	9.8
209.15367	5.3
211.14775	1.2
213.16423	2.6
215.17958	6.9
219.17442	3.6
221.15323	1.8
221.19012	2.3
225.16464	1.2
233.19038	3.1
235.16920	2.6
241.19348	1.1
245.15488	0.9
247.16917	2.0
249.18544	1.3
253.69347	0.8
255.20872	1.0
261.18500	1.6
275.19949	1.4
341.24896	0.9
357.27838	8.3
358.48795	0.8
361.28812	1.6
369.27728	1.5
379.29688	4.0
385.31125	2.8
397.26483	1.3
397.31064	21.1
398.31488	1.4
415.11377	1.3
415.32181	21.2
416.32251	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	415.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05504	9.1
57.07063	2.5
59.04996	1.2
65.09628	0.9
67.05502	13.3
67.10424	1.0
67.63384	1.0
69.03419	1.8
69.06783	0.9
69.07070	9.0
69.24152	3.7
69.24578	8.7
71.05006	1.5
71.08612	1.4
79.05489	9.2
81.03405	1.3
81.06609	1.6
81.07059	24.3
83.04951	2.1
83.08603	3.0
85.06527	2.5
86.59878	1.1
91.05463	13.2
93.07035	26.1
95.04945	2.5
95.08604	33.7
97.06516	1.6
97.10154	2.0
99.04435	4.6
101.06017	3.8
101.20319	0.9
105.07023	23.7
107.08591	35.1
107.09315	2.4
109.06512	2.2
109.09451	1.9
109.10151	16.2
111.08085	7.6
117.07008	4.4
119.08578	100.0
120.08932	4.0
121.10139	22.7
122.10513	1.0
123.08049	3.6
123.11691	7.1
123.24806	1.1
125.09616	1.6
128.06090	1.1
129.07030	2.1
131.08568	7.8
133.06490	2.0
133.10132	21.1
135.08025	2.4
135.11685	30.2
137.09575	2.7
137.13283	1.7
139.07520	1.5
139.11169	1.7
143.08505	3.1
145.10098	13.0
147.11674	22.8
149.09627	2.5
149.13252	24.7
151.11227	2.8
153.09140	1.4
157.10159	3.1
159.11693	14.5
161.09624	1.4
161.13243	14.8
163.11195	3.3
163.14833	7.0
165.12770	2.0
171.11671	2.3
173.13277	9.0
175.11070	1.3
175.14857	8.8
177.12776	10.8
177.16383	4.0
179.14317	1.2
181.04936	2.7
181.12221	3.2
185.13258	2.3
187.14835	6.9
189.12726	2.7
189.16376	12.6
191.10651	1.3
191.14301	3.5
191.17972	2.0
193.12166	1.5
195.13811	13.6
197.13237	1.4
199.14883	2.5
201.16362	9.6
203.14233	1.3
203.17880	2.8
205.15866	2.6
207.13777	7.4
207.17438	10.6
209.13504	1.2
209.15376	3.9
211.14754	1.7
213.16277	1.8
215.14323	1.3
215.17926	8.4
217.19624	1.4
219.17467	2.3
221.15340	2.1
221.19002	3.2
227.17928	1.0
233.18983	3.6
235.16872	2.5
247.16895	1.4
249.18579	1.8
259.20599	1.4
261.18463	2.1
275.19986	2.0
287.20071	1.3
315.23303	1.4
351.37967	1.1
357.27850	7.9
369.27625	1.5
379.29916	4.3
397.26434	1.9
397.31055	26.5
415.32175	22.1
418.18494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.07095	1.1
67.05499	4.8
69.07070	3.4
72.03141	1.1
79.05482	4.2
81.07047	8.0
83.08601	1.2
90.55422	1.1
91.05462	5.5
93.07032	6.3
94.44205	0.9
95.04985	2.5
95.08576	5.4
97.06532	1.9
98.21522	2.5
100.77236	0.9
105.07024	8.4
107.08602	5.1
109.06528	2.8
109.10144	3.8
117.07005	3.7
119.08571	8.0
121.10143	3.6
123.11684	4.8
125.05991	2.1
131.08549	6.9
133.10143	5.1
135.11696	3.8
137.05986	2.1
138.03137	2.3
142.07706	1.0
143.08542	1.4
145.10158	8.3
147.11674	2.7
149.13246	2.1
153.05467	1.4
155.07019	6.0
155.98965	1.0
156.66066	1.0
157.10118	1.5
159.11676	7.0
161.13266	2.6
163.11209	1.7
167.07028	10.6
173.13258	3.0
175.14877	1.5
177.12749	1.0
181.04942	100.0
181.08411	2.7
182.05296	2.8
183.11739	1.7
184.03694	2.7
187.11072	1.1
197.08041	2.3
199.14825	1.3
201.16359	11.6
209.08067	3.9
215.17949	3.3
219.17450	13.1
225.58179	1.1
229.79277	1.0
233.11867	1.1
243.17502	3.5
261.18500	3.5
397.23788	10.6
415.24713	16.5
416.24582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76816	0.2
53.03915	0.4
55.01855	0.7
55.05491	0.9
57.07052	0.9
63.02020	0.2
63.02363	0.2
65.03930	0.7
65.81947	0.2
67.05499	2.4
69.03416	0.7
69.07063	2.0
69.29553	0.6
69.29971	1.8
79.05495	2.7
81.03409	0.4
81.06612	0.3
81.07055	4.8
83.08610	0.5
84.91423	0.2
91.05475	4.9
93.03400	0.3
93.07047	3.7
95.01324	0.4
95.04959	3.1
95.07993	0.3
95.08602	4.4
97.06521	1.2
97.10168	0.3
103.05431	0.6
105.03391	0.5
105.07030	5.5
107.04950	0.4
107.08015	0.3
107.08598	3.4
109.06519	1.7
109.09617	0.2
109.10164	2.8
111.04412	0.7
115.05447	0.4
117.07011	2.4
119.04909	0.4
119.07807	0.4
119.08577	4.4
120.68348	0.2
121.02829	0.3
121.06494	2.2
121.10132	2.6
122.03632	0.5
122.42046	0.2
123.04400	0.6
123.08101	0.6
123.11698	2.9
125.05979	1.4
128.06197	0.4
129.06981	1.3
131.08562	3.8
132.94933	0.2
133.06442	0.6
133.10132	2.3
135.08057	0.4
135.11676	3.2
137.05948	1.2
137.09520	0.5
138.03114	2.5
139.07512	0.6
141.05457	0.5
143.08516	0.9
144.09309	0.3
145.10121	5.8
147.04404	0.3
147.08018	0.4
147.11673	2.1
148.05183	1.2
149.02359	0.7
149.09567	0.5
149.13226	0.8
151.03932	0.6
151.07550	2.6
153.05412	0.7
155.07004	3.6
155.08466	0.6
157.10188	1.6
159.08037	0.3
159.11690	5.3
161.09598	0.4
161.13281	1.7
163.03876	0.6
163.07559	2.2
163.11136	1.6
163.14798	0.4
164.04668	2.1
165.05461	0.3
165.12752	0.2
166.02647	2.1
167.07039	8.1
169.10149	0.5
171.11736	0.3
173.09618	0.4
173.13225	1.7
175.14853	1.7
177.16391	0.6
179.07077	1.8
181.04942	100.0
182.05318	3.1
183.06470	0.6
183.11700	0.8
184.03667	2.6
185.13191	0.5
187.11090	0.5
187.14786	0.5
189.16423	0.6
191.06909	0.3
191.17920	1.3
192.04178	3.6
193.04967	0.4
193.08563	0.8
197.08098	2.2
199.06075	0.6
199.14828	0.8
201.12823	0.3
201.16367	8.2
202.16788	0.4
205.08559	0.5
207.06520	19.0
208.06819	1.1
209.08018	2.3
215.08551	1.3
215.17932	2.8
217.15819	0.7
217.19510	0.4
219.17427	9.7
220.17690	0.5
223.09702	0.6
225.16374	0.8
231.10143	0.7
233.09676	0.5
233.11818	0.5
233.18999	1.0
235.05997	22.2
236.06335	1.4
243.10370	0.5
243.17456	3.0
245.11639	0.7
247.09747	0.3
257.11795	0.3
261.18484	3.1
369.24243	0.8
379.22348	1.2
397.23730	8.1
398.24100	0.4
415.15451	1.1
415.24744	15.2
416.24957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62597	2.0
55.01870	4.0
55.05495	2.9
57.07083	3.2
65.29586	2.1
67.05502	2.9
69.07050	2.8
71.51811	3.0
71.52186	2.2
72.78249	1.9
75.05395	2.0
79.05484	4.0
81.07050	12.1
89.06024	2.0
91.05478	7.1
93.07028	8.7
95.04930	3.3
95.08614	9.6
97.06480	2.1
97.10120	2.4
105.07020	13.2
107.08583	7.0
109.06495	3.7
109.10150	6.2
117.07024	3.5
119.08567	11.7
121.10136	5.9
123.11696	5.5
129.06963	3.1
131.08572	11.7
133.10159	5.0
135.11687	6.4
143.08540	4.1
145.10115	24.1
147.11682	7.9
149.09674	2.7
151.07451	2.5
155.07028	40.0
155.08362	2.8
156.95824	2.4
157.10094	6.4
159.11687	11.7
161.13263	3.0
163.11237	2.2
167.07025	10.8
173.13248	4.6
181.04944	100.0
181.08577	8.5
182.05301	4.1
183.11638	3.1
184.03635	3.3
187.14763	4.0
189.16396	3.0
197.07996	2.5
199.14838	7.0
201.12750	6.2
201.16344	11.9
205.12276	3.9
209.08163	11.3
219.17398	10.7
225.16252	2.9
229.12129	2.3
261.18469	13.7
292.46426	2.2
296.24213	2.1
397.23795	11.6
415.24307	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	415.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.7
55.05521	3.1
57.03421	2.1
57.07052	2.1
67.05502	7.3
69.03392	1.8
69.07058	5.1
70.17649	1.6
79.05492	9.0
81.07059	11.1
83.08588	2.0
88.05576	1.9
89.06028	1.8
91.05480	10.5
93.07040	10.4
95.04970	3.9
95.08620	9.5
98.21522	4.9
105.07028	13.7
107.08594	7.4
109.06490	2.0
109.10155	4.8
117.07021	6.7
119.08598	11.5
121.10142	6.4
123.04362	2.4
123.08047	2.8
123.11679	3.2
129.07057	2.8
131.08572	18.7
133.10120	5.0
135.11699	5.8
137.05981	4.4
142.07736	2.5
143.08556	6.5
145.10124	59.4
147.11690	6.0
149.13231	2.1
151.07518	3.1
155.07031	78.3
156.07379	2.1
157.10103	8.7
159.11700	13.8
161.13322	2.0
163.11200	2.2
166.02754	2.1
167.07022	11.3
169.10219	2.0
171.11563	1.9
173.13257	8.2
181.04948	100.0
181.08495	14.4
182.05283	2.3
183.11725	5.0
187.14827	42.5
191.06924	1.7
193.08653	5.4
197.08047	2.3
199.14810	9.1
201.16325	10.5
207.06447	2.5
209.08087	36.7
215.17976	4.8
219.17427	7.1
225.16418	3.1
233.08080	2.3
235.06036	3.1
243.17430	4.7
261.18481	32.1
262.18881	2.3
379.22845	3.0
397.23654	15.7
415.24341	15.4
415.29376	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	415.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
54.49314	2.2
55.01875	3.6
55.05503	6.6
61.02919	2.3
67.05495	10.7
67.76763	2.2
69.03419	8.2
69.07066	8.1
70.06581	6.2
71.04992	34.6
71.25343	6.1
72.21849	2.4
73.06565	4.3
79.05485	10.8
81.03411	7.0
81.07047	12.2
83.04979	7.0
83.08610	5.3
85.02904	27.7
85.06537	10.2
91.05490	8.3
93.07047	13.0
95.04988	6.1
95.08590	6.5
97.02858	4.7
97.06539	5.8
97.10175	7.3
98.21259	3.1
99.04453	4.0
99.08081	3.1
100.17938	2.6
105.07008	15.2
107.04946	6.4
107.08575	34.8
108.40298	2.4
109.02857	6.5
109.06505	9.2
109.10156	21.1
111.08092	13.2
117.07018	3.5
119.08552	13.6
121.06503	5.6
121.10149	5.2
123.04487	3.7
123.08114	3.8
125.06084	2.5
125.09618	63.9
127.03917	9.0
127.11198	22.8
131.08521	5.3
133.10135	7.8
135.08064	5.8
135.11685	3.3
137.05994	4.1
137.09615	6.5
143.08739	3.9
143.10663	100.0
145.10094	7.7
147.08003	5.4
147.11668	25.7
149.09566	3.7
153.01820	9.9
157.10120	4.7
159.11700	5.7
161.09615	5.5
167.07016	6.3
167.10648	3.6
175.11177	4.4
175.14763	4.7
177.05516	3.3
179.03426	2.8
179.07031	3.6
181.04900	4.7
189.12776	4.7
193.12225	3.5
207.02815	2.4
211.13281	2.6
217.04945	5.1
217.12257	3.5
217.15828	15.9
235.13354	8.1
235.16940	17.6
241.05031	2.8
253.17943	4.8
287.05389	2.3
371.07611	26.6
415.10245	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82442	3.5
53.03933	15.0
53.44076	4.0
55.01866	16.5
55.05505	18.3
57.03429	9.0
67.05503	32.0
69.03430	41.7
69.07057	27.4
69.73692	16.7
71.04996	24.3
72.28234	3.5
79.05486	46.4
81.03412	59.4
81.07053	68.0
81.07525	3.7
83.04974	29.8
83.08605	6.7
85.02898	41.5
85.06522	11.7
91.05470	32.3
93.07040	78.6
95.04960	26.8
95.08604	42.4
97.02896	26.4
97.06532	40.2
98.20868	8.0
99.04449	39.4
99.08078	6.4
105.07031	59.7
107.04956	13.8
107.08595	57.1
109.02885	35.3
109.06526	28.7
109.10159	17.1
111.04441	5.5
111.08081	31.2
113.05995	4.0
117.07005	7.7
119.08582	45.2
121.06513	41.1
121.10133	17.9
123.04402	6.6
123.08069	10.5
123.11686	17.2
125.05981	13.6
127.03916	100.0
127.07532	8.8
129.07045	5.8
131.08554	12.0
133.10092	27.3
135.08069	28.5
135.11702	5.7
137.05992	10.0
137.09613	5.8
138.79169	3.3
139.07532	10.0
141.05463	4.8
142.07797	7.2
143.07024	7.9
143.08580	11.6
145.04918	6.0
145.06535	8.3
145.10127	16.0
147.04410	4.7
147.08067	8.1
147.11691	61.3
149.05980	3.6
149.09619	11.1
149.13315	6.6
151.07535	8.4
151.11153	8.6
153.01840	5.9
153.09106	4.2
157.08820	5.3
157.10115	21.1
159.11642	3.7
161.09608	5.2
161.13246	8.9
163.11206	4.1
163.14836	5.4
165.12747	34.7
166.07640	4.9
167.07014	12.6
169.12209	24.8
171.11711	16.0
173.09587	4.9
173.13312	5.9
175.07642	4.4
175.11186	38.0
175.14731	5.8
179.07091	9.6
181.04971	16.0
181.08568	5.3
187.06027	30.2
189.12720	22.7
193.12250	40.5
195.06564	11.0
199.11208	18.2
202.81119	3.8
205.07018	4.2
207.13803	13.6
211.13319	32.0
214.01695	4.2
214.99773	3.9
217.05023	3.8
217.12245	61.9
217.15820	4.0
229.14255	4.5
235.13266	47.6
235.16881	7.5
237.45041	4.2
238.28581	3.8
253.14371	33.8
253.17917	6.3
317.03021	5.7
371.07547	17.1
379.17554	5.0
397.18637	4.4
415.09662	35.3
415.14508	8.9
415.19293	7.1
415.32239	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	415.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.6
53.57641	3.1
55.01858	9.7
55.05504	9.1
57.03426	4.5
61.02928	3.4
67.05505	20.6
69.03430	31.0
69.07065	18.1
69.29161	2.7
69.50238	22.7
71.04984	16.9
73.02921	4.3
75.69632	2.8
75.76550	2.6
79.05486	24.6
81.03418	48.5
81.07055	45.8
83.04975	23.6
83.08620	4.0
85.02901	29.7
85.06527	9.6
91.05465	21.7
93.07038	61.9
95.04973	17.4
95.08617	21.5
97.02887	15.4
97.06540	29.7
99.04453	33.4
105.07018	41.6
107.04960	7.7
107.08585	36.4
109.02879	42.3
109.06518	20.4
109.10185	13.8
111.04425	4.2
111.08081	25.4
115.07613	2.8
117.07018	4.6
119.04889	3.5
119.08556	27.0
121.06507	37.8
121.10135	11.5
123.04462	4.4
123.08047	10.8
123.11700	12.0
125.05992	16.0
127.03914	100.0
127.07545	9.7
129.06924	3.7
131.08612	5.8
133.06503	4.6
133.10098	22.1
135.08058	19.8
137.05965	9.5
137.09642	6.0
139.07518	14.4
143.07034	19.1
143.08565	5.9
145.04948	6.9
145.10114	8.8
147.08046	9.3
147.11679	60.7
148.59149	2.8
149.06036	3.9
149.09549	3.1
151.11160	9.4
153.01762	3.6
153.09099	5.9
156.09317	4.0
157.08725	6.2
157.10132	15.6
161.05896	4.2
161.13255	10.7
163.07468	3.7
165.12752	29.7
167.07004	3.1
169.12256	16.0
171.11679	11.6
173.09630	6.2
175.11172	37.3
179.06982	7.4
183.13770	3.3
187.06013	39.6
187.07526	4.9
189.12704	24.2
191.14355	3.5
193.12233	37.6
199.11125	17.2
207.13820	20.3
209.15497	2.9
211.13284	28.2
217.12242	71.5
225.14867	3.0
229.14381	9.9
235.13271	74.1
235.16998	7.6
253.14403	31.3
253.18129	3.8
294.08325	3.1
311.56567	2.8
361.16202	4.3
363.79541	2.9
371.07645	9.6
379.17395	4.8
397.18680	4.0
415.19165	4.6
415.26364	2.8
432.01205	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	415.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19629	3.8
53.03957	11.7
55.01875	11.7
55.05515	21.0
57.03449	8.7
61.02921	5.8
62.18403	3.5
65.03955	3.8
67.05508	24.4
69.03432	39.6
69.07073	31.0
69.60771	7.5
69.61181	16.9
71.04996	15.2
73.02896	3.7
73.51799	3.4
79.05499	37.6
79.81474	3.6
81.03422	57.9
81.07059	65.9
83.04985	28.7
83.08627	7.8
85.02892	27.1
85.06546	10.2
91.05462	36.6
93.07051	77.5
95.04961	24.1
95.08611	38.3
97.02896	16.8
97.06535	46.6
98.21437	6.1
99.04460	29.4
105.07033	58.7
107.04952	23.2
107.08591	54.3
109.02883	42.7
109.06521	31.7
109.10154	24.3
111.04423	5.5
111.08119	25.6
117.07036	7.0
119.04967	4.0
119.08587	44.8
121.06527	44.7
121.10155	20.5
123.04409	7.0
123.08079	11.8
123.11693	19.4
125.06008	13.2
125.09579	5.6
127.03919	100.0
127.07569	12.6
129.07002	8.1
131.08580	16.0
133.10124	34.6
135.04440	3.7
135.08055	27.0
135.11707	8.4
137.05998	31.4
139.07544	16.3
142.07768	6.3
143.07062	11.4
143.08559	10.5
145.04942	6.1
145.06508	6.0
145.10129	14.3
147.08055	9.6
147.11699	68.9
149.09613	5.7
149.13245	11.1
151.07549	5.0
151.11192	10.2
153.09123	8.3
156.09331	5.7
157.08742	5.3
157.10124	20.0
159.08098	5.1
159.11703	6.5
161.09685	5.8
161.13280	14.9
163.07507	7.2
163.11200	5.0
165.12814	28.4
166.07695	3.9
167.07047	11.0
169.12248	26.8
171.11719	19.8
173.09605	5.6
173.13313	7.5
175.11195	38.6
175.14807	5.0
177.09174	3.7
179.07014	20.6
181.04910	5.4
181.08609	4.9
187.06029	34.4
189.09120	4.4
189.12753	25.8
191.14369	6.1
193.12245	42.1
195.06497	4.3
199.11238	13.4
203.06961	3.5
207.13829	15.5
211.13255	28.7
217.12251	62.3
217.15858	4.9
229.14381	9.0
235.13284	61.4
235.16963	10.7
253.14357	31.6
397.27313	7.1
415.04709	4.0
415.09930	18.8
415.23907	5.3
415.28693	4.9
422.47574	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	415.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58511	2.3
52.99445	2.7
53.03944	26.2
55.01868	7.4
55.05505	12.2
56.29016	2.4
56.90358	2.4
57.03427	5.5
61.02928	3.0
67.05499	15.8
69.03429	34.8
69.07051	14.3
69.46220	15.0
69.46630	6.8
71.04979	19.6
73.02932	3.6
79.05479	26.4
81.03416	100.0
81.07049	49.1
83.04974	30.1
85.02905	22.0
85.06530	6.3
91.05462	19.9
93.07040	62.6
95.04969	17.6
95.08607	19.4
96.83076	2.5
97.02878	12.1
97.06528	32.9
99.04453	34.6
105.07022	37.5
107.04957	7.7
107.08589	31.5
109.02876	60.5
109.06513	29.1
109.10152	13.6
111.04453	3.1
111.08080	21.1
117.07020	4.2
119.08573	29.3
121.02873	2.6
121.06485	43.1
121.10158	9.7
123.04397	4.7
123.08057	9.4
123.11749	5.3
125.05992	17.8
127.03913	98.4
127.07565	9.6
129.07079	3.5
131.08582	8.0
133.06494	3.4
133.10112	22.7
135.04457	3.0
135.08070	16.7
137.05983	7.2
139.07500	12.6
142.07776	3.2
143.06999	16.3
143.08495	6.0
145.04990	3.6
145.10127	10.6
147.08022	6.3
147.09181	21.7
147.11674	54.0
149.09610	3.6
151.07494	2.9
151.11169	5.8
153.09148	5.7
156.09364	3.0
157.08728	5.8
157.10136	14.4
161.13251	7.7
165.03734	2.8
165.12737	24.9
168.07623	2.7
169.12250	21.3
171.11705	13.5
173.09660	3.5
173.48732	2.5
175.02309	3.0
175.08739	15.4
175.11182	34.1
175.15073	2.6
181.10068	3.4
187.06004	33.9
187.07520	3.6
189.12781	27.6
191.08189	13.2
193.12227	42.6
199.08728	4.9
199.11169	16.3
203.08231	2.6
204.09047	3.5
207.13777	14.8
211.13246	36.6
217.12225	60.0
229.14314	8.6
235.13272	59.8
239.96265	2.6
253.14281	31.6
253.18332	3.0
271.10812	5.1
289.11841	8.9
315.05396	9.1
343.15283	3.3
361.16217	2.7
371.16098	8.2
379.17581	5.2
379.26306	3.0
397.13690	23.9
397.18250	3.6
415.14771	20.5
415.19562	3.9
431.10138	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	415.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	25.1
54.35174	2.6
55.01858	6.8
55.05497	11.1
55.41221	2.8
57.03426	6.6
67.05511	16.6
69.03423	32.5
69.07062	16.9
69.46363	24.2
71.04993	18.4
73.02898	3.4
75.40181	2.9
79.05485	24.6
81.03417	100.0
81.07049	42.1
82.03738	2.9
83.04969	25.9
83.08608	4.0
85.02898	28.3
85.06534	8.0
91.05470	23.4
93.06492	4.2
93.07039	56.9
95.04960	18.3
95.08596	21.6
97.02875	12.8
97.06532	31.8
98.20849	4.2
99.04454	27.5
105.07029	43.7
107.04976	5.6
107.08586	40.2
109.02876	72.7
109.06541	21.9
109.10153	15.8
111.02663	3.2
111.04456	3.5
111.08069	23.2
113.05952	4.0
117.07021	8.5
119.08575	24.0
121.06498	35.5
121.10125	11.8
121.56383	3.6
123.08049	9.2
123.11693	9.2
125.05987	19.4
127.02979	5.6
127.03905	98.1
127.07505	8.2
131.08556	4.6
133.06451	5.1
133.10135	18.9
135.04361	3.3
135.08038	20.2
137.05991	6.8
137.09621	4.6
139.07516	12.2
141.05309	2.9
142.07753	6.3
143.07018	14.2
143.08556	8.6
145.04832	3.9
145.10086	12.9
147.08086	5.5
147.09154	26.1
147.11681	58.6
149.09651	7.4
149.13242	3.0
151.11172	7.2
153.94693	3.1
156.09290	4.0
157.08691	6.3
157.10098	14.6
159.07959	3.0
161.06053	3.8
161.13179	5.8
165.12727	28.2
169.12228	19.1
171.11694	10.3
173.09660	5.1
175.08789	16.3
175.11160	31.1
179.06969	3.2
181.10231	3.9
187.05998	31.7
189.12740	28.4
191.08183	13.2
193.12228	34.2
199.11195	20.0
204.08948	4.5
207.13753	15.5
211.13258	30.4
217.12216	63.0
229.14299	7.5
235.13284	52.7
235.16925	3.8
253.14349	24.5
253.16742	3.1
253.17967	3.7
289.11765	7.4
315.05060	5.5
371.07632	4.6
371.15884	3.6
397.13809	15.5
397.18439	4.6
415.14850	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	415.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	9.5
53.84584	6.6
55.01859	9.8
55.05506	13.5
56.96558	57.5
57.03425	15.2
59.04992	30.3
61.02914	10.4
66.06327	6.2
69.03425	39.1
69.07050	9.1
71.04978	16.2
71.50626	9.1
81.03392	19.7
83.04977	24.2
84.96037	11.7
85.02904	51.1
86.09695	13.5
89.06023	58.1
91.05791	20.7
95.04948	8.0
95.64411	7.5
97.02876	31.5
98.97593	66.3
101.06017	32.8
109.02895	24.3
110.97585	8.0
116.98601	45.9
119.07026	9.9
120.08907	6.7
127.03922	29.8
128.98613	26.9
131.00218	7.9
134.99687	17.6
135.06514	20.6
137.05933	6.4
143.00179	9.4
145.04947	22.0
146.99651	20.1
149.01192	9.5
153.01811	17.3
153.07544	10.4
158.99603	13.6
161.01244	9.5
162.99167	6.6
163.03883	12.7
177.00677	15.9
177.04099	7.3
179.07008	10.9
184.52086	8.2
212.06253	19.5
218.06174	10.1
219.01741	38.8
227.06786	100.0
227.08952	10.0
227.57001	12.7
229.00113	32.7
237.02808	60.6
245.09885	9.4
247.01152	9.9
276.02863	8.5
344.97763	21.3
355.03494	12.1
373.04520	30.9
391.12708	8.5
415.04495	9.4
415.09753	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	415.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
65.03924	0.6
79.05462	1.1
81.07052	0.4
91.05478	12.5
93.06992	0.4
94.04166	0.5
95.04951	0.7
103.05462	1.7
105.03416	0.3
105.07034	0.4
107.04935	0.5
108.05696	0.4
109.06515	2.1
118.04180	1.4
119.04912	0.9
120.05741	0.4
121.06502	6.6
123.08045	0.9
132.05663	0.6
133.02811	0.3
133.06453	1.2
135.04474	0.4
135.08008	0.4
136.05246	0.3
137.05963	0.8
139.07570	1.7
147.04376	0.3
148.05185	4.2
149.02306	0.8
149.05894	0.3
150.03131	0.4
151.07538	9.4
153.05431	0.4
160.01555	0.4
162.03064	0.6
163.03899	3.3
163.07536	11.1
164.04691	7.7
164.07855	0.3
164.34195	0.3
165.05382	0.5
167.03178	0.3
177.05443	0.6
179.07013	3.0
181.05005	1.7
191.03458	0.6
192.04161	16.2
193.04732	1.0
201.16278	0.3
207.06519	91.8
208.06860	2.8
215.08698	0.4
215.76062	0.3
216.40308	0.3
235.05998	100.0
236.06313	3.6
240.76826	0.3
248.79976	0.3
252.52875	0.3
281.11649	0.8
327.48584	0.3
374.66019	0.3
381.11252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01865	3.2
55.05501	1.8
57.03429	1.3
58.99578	8.3
60.63719	0.8
61.40359	0.8
62.99402	0.7
65.03937	1.1
67.05503	6.1
68.99764	2.1
69.03427	52.9
69.07065	2.5
69.38160	3.0
69.38585	3.6
71.04971	1.2
73.01131	4.7
79.05504	6.2
81.03394	3.6
81.07058	7.8
83.04975	3.3
85.01118	6.4
85.02892	3.5
85.06528	1.5
86.99049	8.4
87.00828	7.8
87.04461	1.9
89.00594	1.2
91.05464	4.6
93.07050	7.2
95.04961	5.8
95.08609	5.9
97.02894	2.4
97.06502	3.0
98.21494	1.7
99.02665	2.9
99.04433	2.2
101.00597	1.5
105.00063	3.7
105.07045	6.7
107.04935	3.5
107.08606	4.9
109.02878	12.5
109.06503	3.3
109.09470	1.2
109.10151	12.8
111.08062	2.0
113.00591	30.1
113.04244	4.7
115.05454	1.0
117.03691	1.6
117.07028	1.3
119.01631	2.2
119.04896	1.0
119.08559	5.6
121.06490	4.0
121.10129	4.1
123.04394	1.4
123.08036	2.3
123.11687	1.7
125.05990	1.7
127.03909	5.7
127.07539	1.1
129.06981	0.7
131.01614	6.9
133.06512	0.9
133.10107	3.8
135.04391	1.0
135.08000	2.6
135.11693	1.4
137.05974	7.4
137.09605	4.1
139.07539	0.9
139.11174	9.2
141.03683	1.9
143.08571	1.5
145.03162	6.9
145.06485	1.3
145.10100	1.8
147.04350	1.1
147.08040	1.4
147.11670	6.0
149.05994	2.0
149.13199	1.0
151.07526	1.8
152.04813	0.8
153.01813	2.8
157.10143	1.5
159.11722	1.1
161.13243	1.6
163.04218	5.0
163.11115	1.7
165.05437	1.5
165.09081	1.4
165.12732	3.1
167.07057	3.9
173.02606	3.4
173.05962	1.3
173.09628	1.0
173.13237	0.8
175.07439	1.9
175.11182	2.9
175.14771	1.5
177.05498	1.5
179.07013	2.1
181.04939	5.6
183.04745	59.0
184.05026	0.8
187.06017	2.0
189.12796	5.9
189.16342	0.9
191.00041	2.8
191.03746	4.2
193.12216	2.5
195.06487	7.2
197.08063	2.5
199.11183	1.5
199.14761	0.7
201.05409	2.5
207.13824	2.4
211.13255	2.2
217.12245	3.4
217.15819	1.8
219.06410	1.0
229.04680	1.2
229.14337	1.0
235.13254	3.4
235.16878	5.5
239.10995	100.0
240.11243	3.1
253.14362	1.3
253.17963	2.0
283.13574	2.4
308.44055	1.0
311.13052	1.6
352.12930	0.8
371.07809	4.8
383.11047	1.0
397.09067	1.0
415.09509	6.0
415.14456	2.2
415.19247	1.5
415.28403	1.1
416.10571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20729	6.6
54.25193	6.2
56.45515	8.4
60.13834	6.6
69.03413	9.2
71.29156	13.1
82.34404	7.5
97.02917	8.5
112.61121	6.8
119.01909	9.2
127.99889	6.3
134.35681	7.3
136.06186	9.5
138.05507	6.7
158.54430	7.5
168.80145	8.5
189.34390	7.8
415.10083	100.0
419.91766	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.01871	9.5
55.05505	5.4
57.03439	16.4
59.04996	3.4
61.02926	11.7
62.06077	6.2
65.03938	1.6
67.05499	10.2
68.99789	2.7
69.03430	35.0
69.07086	7.7
70.06590	3.4
71.01339	3.0
71.04990	5.6
71.50830	2.4
73.02909	19.2
73.06558	1.6
79.05486	10.6
81.03418	16.5
81.07048	16.9
83.04974	7.9
83.08601	2.0
84.04537	1.9
85.02904	100.0
85.06520	2.1
86.03230	2.3
86.06075	3.0
87.04475	4.3
91.03954	4.3
91.05479	12.0
93.07043	25.3
95.04964	5.9
95.08582	10.2
97.02889	35.3
97.06529	10.1
99.04456	12.2
101.02397	1.9
103.03993	1.7
103.05470	2.6
104.07094	10.0
105.07028	20.2
106.02935	1.4
107.04939	5.7
107.08582	14.1
108.08899	2.4
109.02882	15.5
109.06499	7.6
109.10168	4.6
111.04458	1.7
111.08054	7.0
113.06004	2.1
115.03929	13.0
115.05482	1.3
117.07027	4.5
119.08601	10.5
121.06501	13.9
121.10167	8.1
123.04403	3.4
123.08061	2.7
123.11732	4.9
124.03977	1.9
124.07607	1.7
125.05993	6.8
127.03916	57.6
127.07545	3.2
129.07025	3.2
131.04927	6.6
131.08566	4.3
132.06555	2.7
133.04970	21.4
133.10136	6.5
135.04378	2.2
135.08035	7.2
137.05995	3.3
137.09604	4.0
139.07561	4.8
143.07057	4.2
143.08533	1.6
145.04962	57.6
145.10132	6.6
147.08014	1.8
147.11673	15.1
149.09633	4.3
150.07620	2.8
151.11220	2.8
153.01831	4.3
156.09380	1.6
157.08699	2.2
157.10124	7.3
157.42920	1.5
159.11630	2.4
161.09627	2.4
163.06004	24.6
163.11201	1.6
165.12778	5.4
167.07047	8.5
169.12268	4.9
171.11679	4.0
173.09602	1.9
175.11200	10.8
177.05489	3.6
179.03333	1.8
179.07074	1.9
181.04947	3.5
187.06052	6.9
188.15189	1.7
189.12749	5.4
191.14212	1.6
193.12286	8.0
199.11209	3.4
201.05353	1.7
205.08566	1.7
205.53181	1.6
207.13713	2.7
211.13303	5.7
215.10800	1.9
217.05092	2.0
217.12210	18.0
217.15823	2.9
223.05951	2.3
229.14313	1.5
233.08040	2.2
233.11748	1.8
235.13258	16.8
235.16904	2.1
241.06975	1.6
253.14334	6.1
259.08176	2.3
261.04111	1.7
262.07388	1.5
317.02838	1.9
371.07657	12.0
379.17307	1.8
397.18460	2.6
414.17804	10.2
415.10239	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	413.3775
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
51.67284	0.8
53.03931	2.0
55.05263	1.5
55.05507	13.5
56.78244	0.9
57.03436	1.5
57.07072	4.9
59.04989	1.3
62.76963	0.9
65.03944	1.7
67.05503	30.0
69.03427	1.7
69.07066	26.6
69.25298	7.6
69.25701	1.2
71.05001	2.1
71.08635	2.3
79.05494	16.3
81.03426	2.4
81.07051	69.7
82.07368	1.3
83.08619	14.9
85.02901	1.4
85.06519	1.6
86.09693	1.1
91.05464	11.2
93.07042	37.0
94.07383	2.1
95.04969	3.1
95.08604	100.0
96.08958	2.5
97.06529	2.7
97.10159	12.4
98.00501	1.0
99.04471	1.1
99.08092	2.6
105.07022	19.6
107.08589	55.5
108.08936	1.4
109.06513	1.7
109.10153	69.7
110.10516	2.0
111.08082	4.9
111.11715	5.5
117.07029	1.5
119.08574	26.2
120.08858	0.9
121.06519	1.3
121.10138	50.8
121.50505	0.8
122.10503	1.8
123.08075	3.6
123.11703	36.6
123.12600	2.0
124.12038	1.3
125.09628	3.2
125.13234	1.8
128.56351	0.9
131.08562	3.2
133.10127	21.2
134.10489	1.4
135.11682	26.7
136.12010	1.8
137.09604	2.3
137.13223	10.9
139.11169	2.1
143.08543	1.9
145.10095	5.7
146.10733	0.9
147.11679	16.7
148.12032	1.2
149.09616	1.0
149.12045	2.1
149.13248	43.2
149.81505	0.9
150.13594	1.3
151.11183	3.7
151.14789	4.9
153.12784	2.0
155.08647	1.2
157.10164	1.6
159.11702	5.4
160.12395	0.9
161.09628	0.9
161.13263	16.6
163.11241	2.3
163.14813	43.9
165.12740	8.5
165.16394	3.3
171.11652	1.3
173.13283	2.6
175.11226	1.6
175.14841	10.4
177.14816	2.0
177.16379	37.2
177.90349	0.8
178.16714	1.1
179.14349	6.8
179.17958	3.9
181.04988	1.6
184.07391	1.4
187.14850	4.3
189.16377	14.7
191.17934	18.4
193.15901	2.4
195.13847	1.0
201.16513	1.9
203.17949	26.3
203.19794	1.7
204.18417	1.0
205.16090	1.0
205.19548	7.4
207.17459	4.8
209.18669	0.9
215.17947	2.1
217.19482	16.6
221.19005	4.0
229.19545	1.1
231.21031	4.6
233.22603	2.9
235.20461	4.2
247.24263	3.7
256.58322	1.1
263.90112	0.9
271.24133	1.3
285.25635	1.3
293.18732	0.9
301.28894	2.4
316.66559	0.9
326.83496	1.0
331.37625	1.0
341.32019	1.5
343.30087	1.1
357.31262	1.0
369.35107	1.2
370.84653	1.0
377.28714	1.6
387.27625	1.0
395.29425	1.5
395.36740	22.3
396.37021	2.0
413.21838	3.3
413.30771	2.1
413.37799	67.6
414.38095	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	413.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35978	1.7
50.89138	1.7
55.05515	9.0
57.03428	3.6
57.07070	11.2
62.60279	1.7
65.03928	2.4
67.05499	22.8
69.03416	5.1
69.07059	14.2
69.13591	1.6
77.79005	1.7
79.05498	8.7
81.03407	6.7
81.07051	87.1
82.07384	2.0
83.04958	2.6
83.08601	6.4
85.02865	2.2
85.06581	1.7
91.05470	10.1
93.07048	20.4
95.04970	3.7
95.08601	100.0
95.11582	1.5
95.62153	1.8
96.08916	3.3
96.83838	1.6
97.02878	3.1
97.06543	1.9
97.10152	4.1
99.04455	2.1
105.07026	10.8
107.08594	15.3
109.10142	34.7
111.11686	4.3
117.06996	3.0
119.08572	10.7
121.10132	9.6
122.66392	1.8
123.11710	24.6
127.03938	2.8
131.08482	3.6
133.10101	8.8
135.11668	9.8
137.12198	3.7
137.13248	72.3
138.13513	1.8
139.07492	2.3
145.10109	5.1
147.11655	8.1
149.13242	8.6
151.14821	7.0
159.11674	6.6
161.13257	6.8
163.14850	3.8
175.14838	3.8
179.17986	2.0
181.04959	43.0
187.14819	5.1
191.17870	2.5
193.12247	2.3
193.19492	3.0
195.13820	3.0
203.08578	2.1
205.19424	2.3
217.15793	2.2
217.19585	4.4
227.17932	4.3
229.19469	2.2
231.07965	2.3
233.15393	3.1
245.18961	5.8
257.22635	3.1
259.07559	3.1
263.20184	4.2
375.19254	1.8
395.77512	2.0
413.21643	7.7
413.33984	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01855	0.5
56.05035	0.9
57.03453	0.6
58.82784	0.3
61.02924	0.4
67.17222	0.3
69.03414	0.7
70.06565	0.6
71.04993	0.3
71.50578	0.7
74.06091	2.0
80.25387	0.4
81.07009	0.3
83.05002	0.4
83.05582	0.3
83.06104	0.4
84.04530	0.4
85.02907	1.5
85.07686	0.5
89.05961	0.4
97.02888	1.1
102.05535	1.4
119.03549	2.2
120.06575	9.1
121.02859	0.4
123.04423	0.6
127.03874	0.5
136.06181	100.0
137.04565	1.8
137.05809	0.7
145.04939	0.6
149.93318	0.3
156.61459	0.3
162.04112	64.4
163.04381	0.8
177.05446	0.5
266.93027	0.3
268.10455	1.0
281.09924	50.5
282.10260	1.6
413.14163	3.3
413.22647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89182	0.1
53.03935	0.3
55.01860	0.1
55.05502	0.2
58.15540	0.1
63.02385	0.1
65.03945	0.6
67.05488	0.3
68.99791	0.3
69.03412	0.5
69.07063	0.2
69.23440	0.7
69.23861	0.4
79.05480	0.4
80.02609	0.4
81.03401	0.4
81.07040	0.3
82.04197	0.2
83.04980	0.2
91.05484	0.3
93.03406	0.6
93.07050	0.2
94.04169	0.2
95.01290	0.6
95.04960	1.9
95.08608	0.2
97.06519	0.4
99.04428	0.1
105.07003	0.2
107.04943	0.2
107.08599	0.3
108.02074	0.3
109.02869	0.2
109.06559	0.1
110.03603	0.2
111.04435	0.9
121.02838	0.4
121.10144	0.2
122.03676	0.3
123.00816	0.1
123.04406	0.5
125.02324	0.1
125.05990	1.2
135.04466	0.1
137.02234	0.2
138.03111	3.6
141.05478	0.3
145.10193	0.1
147.11684	0.2
149.02325	0.2
151.03905	1.0
153.05429	0.4
155.03360	0.2
159.11752	0.1
166.02602	3.3
175.81760	0.1
181.04941	100.0
182.05289	1.9
184.03656	3.5
184.07249	0.1
202.07750	2.4
203.08559	3.3
203.17851	0.1
205.10069	0.3
215.08514	0.2
221.09689	0.5
231.08008	6.2
232.08357	0.3
259.07526	8.4
260.07895	0.3
315.59683	0.1
363.09958	0.1
367.13248	0.3
383.12582	0.2
385.14316	4.4
386.14560	0.2
391.08838	0.1
395.12799	0.1
395.45297	0.1
413.13776	0.6
413.21667	0.1
413.30539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.69434	0.1
63.02372	0.2
65.03921	0.6
66.28682	0.1
67.05480	0.4
68.99789	0.3
69.03400	0.5
69.24967	1.6
79.05477	0.2
80.02619	0.6
81.03409	0.4
81.07050	0.3
83.04960	0.2
93.03389	0.6
94.04195	0.2
95.01321	0.7
95.04958	2.2
95.08597	0.3
97.06535	0.3
98.21575	0.3
101.55922	0.1
105.03419	0.1
107.08594	0.2
108.02082	0.4
109.02838	0.3
111.04441	0.9
119.08553	0.2
121.02848	0.5
121.10194	0.2
121.62942	0.1
122.03629	0.2
123.04444	0.8
125.02320	0.3
125.05988	1.2
125.40628	0.1
135.04378	0.2
135.11650	0.2
136.01506	0.2
138.03117	4.5
141.05392	0.3
149.02332	0.2
149.13229	0.2
151.03925	0.9
153.05441	0.5
155.03392	0.3
159.11685	0.2
166.02605	3.5
181.04942	100.0
182.05309	2.0
184.03670	2.9
190.07922	0.2
193.59616	0.1
202.07764	2.4
203.08545	3.9
205.10081	0.5
215.08575	0.2
221.09682	0.4
229.10106	0.2
231.08025	5.8
259.07538	7.8
260.07718	0.2
272.24356	0.2
352.10828	0.2
367.13211	0.6
383.12906	0.2
385.14310	3.6
386.14554	0.2
413.13803	0.3
413.21667	0.3
421.31131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01863	6.3
55.05501	6.4
57.03438	16.6
59.04991	3.1
61.02922	19.5
69.03429	33.4
70.06128	13.4
71.01347	3.7
71.04976	5.9
73.02917	86.1
79.00620	2.8
79.05468	4.5
80.04988	2.8
81.03424	14.7
81.07040	3.9
83.08627	4.9
85.02906	100.0
87.04471	4.4
91.05458	7.2
93.07042	8.5
95.08607	3.8
96.04460	2.9
97.02891	65.8
98.20965	5.3
98.21503	3.3
99.04448	4.9
103.03909	3.9
105.06995	4.2
109.02880	8.8
109.10199	3.5
111.04455	3.4
115.03941	28.9
119.08556	2.9
124.03944	14.3
127.03918	35.1
133.04951	30.0
135.08067	3.5
139.03903	4.5
145.04950	55.1
145.06256	3.7
150.07660	3.5
151.03920	3.4
154.41985	2.8
155.30502	2.6
163.06093	18.2
179.10716	2.8
200.08156	2.5
215.43764	2.7
217.07079	3.9
223.06033	4.3
233.11777	3.3
234.12082	3.0
241.07225	4.4
250.11436	7.6
259.08057	7.9
280.19153	3.7
295.10013	3.5
395.27377	2.9
404.33749	2.8
412.20105	5.6
413.17545	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25159	1.0
53.03932	1.3
55.01868	5.9
55.05502	2.0
57.03436	11.6
60.96138	0.9
61.02921	9.9
69.03088	1.8
69.03428	22.8
70.06603	1.3
70.81940	1.2
70.82269	2.6
71.01351	2.8
71.04982	3.0
72.00969	1.0
73.02914	16.2
81.03426	5.4
83.04941	1.3
83.08609	4.5
85.02903	100.0
87.04469	3.8
91.03941	3.9
91.05480	2.8
93.69962	1.0
95.08614	1.5
97.02889	32.8
99.04431	3.5
103.03944	2.8
109.02859	9.8
109.36057	1.3
112.95319	1.0
115.03916	9.6
127.03916	25.3
133.04958	13.2
145.04953	47.4
163.03897	1.2
163.06010	27.5
182.14548	1.0
184.26857	1.2
208.06123	1.3
241.06947	1.6
250.10730	5.6
251.09157	1.9
263.14917	3.8
350.08420	1.2
378.23621	1.2
412.15952	1.7
430.48508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01864	8.7
55.05513	4.7
57.03162	0.9
57.03433	15.2
59.04988	1.6
61.02924	11.5
67.05492	1.2
68.70453	0.7
69.03426	24.1
69.07066	1.4
69.92087	2.3
69.92503	0.9
71.01340	2.8
71.04993	6.9
72.04491	0.9
73.02913	22.9
79.05515	0.9
81.03407	5.9
81.07038	1.5
83.01321	0.8
83.04977	2.0
83.08620	8.2
85.02899	100.0
87.04480	3.9
88.16817	0.6
89.87495	0.7
91.03947	4.6
91.05465	1.1
93.07025	1.1
95.04961	1.1
95.08613	1.6
97.02884	34.7
97.06486	0.9
99.04431	3.9
99.08124	1.0
101.09642	1.4
103.03947	2.4
104.84283	0.7
107.08591	1.4
109.02871	7.1
111.04458	1.0
111.08073	2.3
114.05475	1.2
115.03928	13.1
123.04440	0.8
123.08072	1.0
125.09647	1.5
127.03903	23.4
129.09138	2.0
132.06557	2.1
133.04958	19.1
135.08084	1.0
139.07527	5.0
141.09084	2.3
145.04948	42.0
149.09599	0.7
150.07651	3.6
151.07559	1.5
155.10698	1.1
163.06003	18.3
167.10690	1.0
167.47383	0.8
169.08589	1.4
179.10704	0.9
184.07303	1.1
186.09254	0.7
191.10654	0.7
193.14966	0.6
197.11731	1.6
199.06047	1.2
202.14885	0.7
209.11726	2.3
215.12804	1.1
223.06064	1.9
227.12883	2.1
241.07144	2.9
245.13927	2.0
259.08157	2.5
263.14871	2.4
382.42560	0.7
388.76392	0.8
412.20340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25159	1.0
53.03932	1.3
55.01868	5.9
55.05502	2.0
57.03436	11.6
60.96138	0.9
61.02921	9.9
69.03088	1.8
69.03428	22.8
70.06603	1.3
70.81940	1.2
70.82269	2.6
71.01351	2.8
71.04982	3.0
72.00969	1.0
73.02914	16.2
81.03426	5.4
83.04941	1.3
83.08609	4.5
85.02903	100.0
87.04469	3.8
91.03941	3.9
91.05480	2.8
93.69962	1.0
95.08614	1.5
97.02889	32.8
99.04431	3.5
103.03944	2.8
109.02859	9.8
109.36057	1.3
112.95319	1.0
115.03916	9.6
127.03916	25.3
133.04958	13.2
145.04953	47.4
163.03897	1.2
163.06010	27.5
182.14548	1.0
184.26857	1.2
208.06123	1.3
241.06947	1.6
250.10730	5.6
251.09157	1.9
263.14917	3.8
350.08420	1.2
378.23621	1.2
412.15952	1.7
430.48508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03933	0.6
55.05505	4.2
57.03423	0.5
57.07071	1.8
58.45233	0.3
59.05001	0.5
60.59468	0.3
61.12196	0.3
65.03939	0.5
67.05501	8.6
69.07060	6.7
69.48210	1.4
69.48631	1.3
71.04959	0.5
71.08615	0.4
77.03959	0.4
79.05489	5.7
81.03395	0.5
81.07050	16.8
83.04957	0.4
83.08611	4.0
85.06548	0.5
91.05470	6.9
93.07037	16.3
95.04961	1.0
95.08601	31.5
96.08925	0.5
97.06516	0.8
97.10152	2.4
99.08073	0.6
105.07022	16.3
107.08585	23.5
109.06497	0.4
109.10152	19.5
111.08070	1.9
111.11707	0.7
112.64526	0.3
116.04393	0.4
117.07015	0.8
119.08576	19.8
120.08920	0.5
121.10133	21.8
122.10431	0.5
123.08054	0.4
123.11692	7.8
125.09611	0.5
127.11153	0.8
129.07002	0.4
131.08565	2.3
133.10117	18.9
135.11682	15.5
137.09604	0.9
137.13239	2.2
139.11166	0.6
143.08534	0.6
145.10130	3.5
147.11681	15.4
149.13251	10.1
150.13608	0.4
151.11156	0.7
151.14780	0.7
153.12746	0.6
157.10117	1.1
159.11690	4.2
161.13254	10.7
163.11212	0.4
163.14813	6.1
165.12726	0.9
165.16353	0.4
171.11664	0.9
173.13269	3.0
175.14818	13.9
177.16380	16.1
179.14368	0.4
185.13289	0.6
187.14818	3.0
189.16371	11.8
191.17902	2.5
199.14833	0.8
201.16403	2.0
203.17946	13.6
204.18309	0.4
205.19493	1.2
207.17564	0.8
211.24080	0.4
213.16429	0.9
215.17935	2.8
217.19550	3.9
219.17355	0.5
219.21063	0.5
221.19083	0.9
227.17958	0.7
229.19499	1.3
231.21039	4.9
233.19025	0.8
241.19479	0.6
243.21104	1.2
245.22581	0.4
255.21092	1.0
257.22656	1.8
266.19989	0.3
269.22711	0.8
271.24283	0.7
283.24158	0.4
297.25879	0.4
305.08170	0.5
309.25385	0.5
393.09378	0.4
393.35095	3.5
411.36209	100.0
412.36578	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	411.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05504	17.8
57.07067	4.4
59.32774	1.4
67.05502	35.8
68.05831	1.6
69.03412	3.7
69.07066	24.9
69.73721	3.1
69.74133	6.5
71.04982	3.0
75.75735	1.6
79.05489	27.2
81.03388	2.4
81.07051	100.0
82.07384	4.2
83.04951	2.9
83.08617	18.4
85.06506	2.4
86.46236	1.4
91.05470	15.1
93.07035	46.0
94.07365	2.9
95.04958	3.2
95.08603	88.1
96.08918	5.6
97.06523	3.3
97.10162	8.7
105.07034	29.2
107.08591	53.5
108.08901	6.4
109.06513	2.9
109.09386	3.0
109.10148	47.1
110.10475	3.4
111.08067	6.5
111.11709	4.2
117.06992	4.0
119.08583	29.7
121.06523	1.9
121.10139	45.6
122.10469	3.8
123.08025	3.0
123.11703	66.6
124.12017	2.7
125.09610	5.4
127.03938	2.0
129.07031	1.9
131.08534	11.1
133.10126	27.6
134.10435	2.3
135.08023	2.9
135.10722	2.3
135.11679	29.1
137.09615	2.5
137.13257	14.4
139.11160	7.1
143.08539	6.8
145.10118	14.9
147.11685	21.1
149.13246	31.8
150.13603	2.2
151.07462	1.7
151.11276	1.8
157.10138	7.0
159.11676	14.3
161.09624	1.8
161.13211	11.4
163.11208	1.6
163.14813	20.2
165.12778	3.3
165.16396	3.9
171.11696	5.6
173.13264	10.0
174.13541	1.6
175.14830	17.1
176.15172	2.9
177.12799	3.3
177.16400	28.9
178.16737	2.9
179.14316	1.9
185.13211	4.3
187.14807	14.4
189.16429	15.8
190.16716	2.0
191.14307	2.5
191.17953	9.3
195.13748	1.9
195.17427	12.0
199.13173	2.5
199.14780	4.6
201.16469	8.2
202.16687	1.6
203.14404	2.4
203.17970	14.5
204.18300	3.3
205.15880	4.9
205.19612	2.8
206.16209	3.8
213.16341	11.0
215.17960	10.5
217.19514	12.6
219.17455	2.6
227.17931	5.5
229.19447	5.6
231.17477	2.1
231.20976	2.6
233.19067	2.6
234.68166	1.8
241.19514	5.5
243.21086	2.1
245.18893	4.8
245.22675	3.9
247.20564	8.2
255.21025	3.0
257.22690	7.6
259.24155	2.2
269.17432	2.5
269.22659	3.8
271.24127	3.1
275.23846	1.9
283.24222	2.5
287.23499	3.0
314.25806	1.7
315.26419	2.5
353.32108	1.9
355.33676	2.1
381.35025	6.4
383.36804	2.5
393.26828	1.7
393.35406	11.4
411.27417	4.0
411.36346	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3617
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.80851	0.6
53.03937	1.1
55.05504	6.9
57.07087	3.0
59.55074	0.6
65.03934	0.9
67.05502	11.8
69.03413	0.8
69.07062	14.0
71.00352	0.9
71.00658	0.9
71.04973	0.7
71.08607	0.8
79.05486	9.9
81.07050	44.9
82.07383	0.8
83.04987	0.7
83.08617	6.8
85.06526	0.6
91.05477	6.5
93.07035	25.2
95.04973	0.7
95.08599	49.3
96.08952	1.1
97.06522	1.8
97.10154	4.0
105.07022	15.0
107.08585	46.7
108.08895	1.5
109.06527	1.1
109.10146	32.7
111.08071	2.4
117.07007	1.2
119.08569	22.2
121.10134	35.8
123.08067	2.0
123.11695	14.3
125.09606	1.6
131.08510	3.2
133.10118	17.1
135.08031	0.7
135.11674	20.4
137.09631	1.3
137.13232	4.4
139.11186	0.7
143.08514	1.1
145.10092	7.2
147.11668	11.6
149.13248	15.2
151.11203	1.5
151.14801	1.4
153.12650	0.7
157.10121	1.1
159.11673	8.5
160.12076	0.8
161.13248	10.6
161.14491	1.1
163.11169	0.8
163.14821	14.0
165.12749	1.0
165.16379	1.2
171.11748	1.4
173.13257	5.9
174.54065	0.5
175.14803	9.3
177.16374	47.1
178.16716	1.9
179.14345	2.1
185.13225	1.6
187.14824	4.7
189.16391	9.6
189.17950	1.0
191.14261	1.0
191.17928	5.8
198.29929	0.7
199.14774	1.5
201.16408	5.4
203.17958	7.7
205.19562	1.3
207.17447	0.8
213.16409	1.9
215.17960	5.7
217.19528	4.5
219.17485	1.4
227.17966	1.3
229.19466	4.2
231.21051	5.2
233.19044	2.3
241.19502	1.3
243.21095	4.8
245.22549	1.5
247.20570	10.8
248.20912	0.8
255.21100	2.8
257.22699	4.2
259.24243	1.5
261.22122	2.7
269.22705	2.4
271.24249	2.4
273.22162	0.9
273.88708	0.7
275.23526	1.0
283.24268	0.9
287.23846	1.2
309.14993	0.9
339.30371	0.8
393.27472	0.6
393.35153	12.3
411.36191	100.0
412.36530	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05512	11.7
57.07047	3.4
57.15499	1.6
58.80774	1.5
67.05502	24.5
69.07059	18.1
69.61916	12.2
79.05487	12.2
81.06602	2.7
81.07056	47.2
83.08613	10.9
85.06507	2.3
85.29179	1.5
88.13208	1.7
88.56830	1.6
90.35619	1.9
91.05463	13.6
93.06494	2.6
93.07043	33.9
95.04935	2.2
95.08606	100.0
97.10153	4.2
105.07038	26.0
107.08588	52.7
108.62721	1.5
109.06518	2.0
109.10153	54.3
111.11713	1.7
117.07009	5.3
119.08585	35.6
121.10143	53.3
123.11703	21.1
131.08607	11.3
133.07500	2.2
133.10127	32.9
135.11687	44.6
137.13206	6.9
143.08569	2.2
145.10078	12.7
147.11655	26.7
149.13249	26.5
151.14856	2.3
152.29689	1.8
157.10092	3.1
159.11676	21.6
161.13258	25.9
163.14816	26.2
171.11681	4.9
173.13254	13.9
175.14827	32.3
177.16408	22.8
179.14360	4.9
185.13295	3.4
187.14813	14.8
189.16383	25.3
191.17964	16.7
193.15907	4.8
197.13029	1.8
199.14725	3.7
201.16385	20.3
203.17957	26.5
205.15919	3.0
205.19504	6.6
207.17412	8.9
213.16414	4.4
215.17934	16.9
217.19518	10.7
221.19017	2.2
227.17975	4.7
229.19516	9.5
230.19868	2.3
231.21094	4.4
233.18973	3.9
241.19481	3.2
243.21204	8.7
245.22588	2.2
247.20499	2.3
255.21078	7.7
257.22641	6.5
269.22580	5.2
274.19812	1.8
285.25732	2.5
287.23526	3.4
297.25729	11.2
313.00345	1.9
315.26785	7.5
323.27130	3.4
337.28586	2.1
341.28476	4.8
351.30405	8.2
368.92538	1.8
393.35248	38.4
411.36316	52.8
412.36374	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	411.362
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03938	1.6
55.05498	12.1
57.03437	1.3
57.07081	2.9
62.63677	1.4
65.03945	1.7
67.05501	23.5
69.07062	22.3
71.52212	2.1
79.05487	16.0
81.07053	49.3
83.08626	9.9
85.01262	1.5
91.05466	14.0
93.07035	35.8
95.04966	2.2
95.08600	100.0
95.27946	1.5
97.10161	7.1
105.06325	2.4
105.07024	27.2
107.08588	60.8
109.10148	53.8
111.08060	2.6
111.11752	1.7
115.31545	1.5
117.07054	4.6
119.08571	40.1
121.10136	48.2
123.08099	2.5
123.11697	19.4
129.98183	1.4
131.08565	11.4
133.10117	34.9
135.11681	34.7
136.32545	1.6
137.09634	1.8
137.13266	7.2
143.08559	2.5
145.10101	17.2
147.11679	26.6
149.13237	31.9
151.11162	3.4
151.14848	1.6
157.10103	2.5
159.11694	19.2
161.13240	35.7
161.14459	2.5
163.14798	30.8
165.12781	2.0
165.16324	2.0
171.11655	3.0
173.13266	14.4
175.14810	31.5
176.15265	1.5
177.16373	23.1
179.14311	10.2
185.13277	3.7
187.14801	17.9
189.16373	31.3
191.17937	20.1
193.15904	3.4
199.14876	3.6
201.16356	19.3
203.17941	34.2
203.19745	2.0
204.18376	1.7
205.15866	2.5
205.19514	5.6
207.17387	10.6
213.16415	3.0
215.17921	19.8
217.19417	9.9
219.17435	4.1
221.18961	2.3
227.18025	5.0
229.19476	11.8
231.21082	13.2
233.18901	6.9
233.22714	2.1
241.19508	4.1
243.21169	8.1
245.22633	3.6
247.20613	3.1
255.21097	6.0
257.22577	7.6
261.22287	1.8
269.22574	6.9
271.24173	1.8
283.24271	2.8
285.25919	2.0
287.23697	5.4
297.25977	2.5
323.27408	3.3
325.29135	1.5
328.33600	1.6
337.28723	1.9
351.30423	13.2
393.35141	55.9
394.35928	1.8
411.36252	84.0
412.37100	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	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03927	2.6
55.05503	16.0
57.07053	5.6
67.05499	27.8
69.07060	23.1
70.29785	1.7
71.08640	2.5
74.66253	2.2
75.43833	2.1
79.05485	16.9
81.07050	60.4
83.08609	9.0
91.05474	18.6
93.07037	43.3
95.05007	2.7
95.08600	87.5
97.10154	6.3
103.60353	2.3
105.07034	34.7
107.08589	62.8
108.13682	2.2
109.10152	51.7
109.10853	3.7
111.08082	3.3
111.11671	2.2
117.06993	3.4
119.07979	1.3
119.08577	43.1
121.10136	44.5
123.08060	2.7
123.11711	23.9
129.06976	2.0
131.08522	11.9
133.10117	30.9
135.11685	38.7
137.13258	11.5
139.11214	2.5
143.08568	6.8
145.10114	17.1
147.11668	26.9
149.13261	22.9
151.14812	2.5
157.10112	8.5
159.11676	21.6
161.13254	23.4
163.14819	28.7
171.11691	6.8
173.13268	18.2
175.14813	24.6
177.16406	21.5
179.14334	10.9
185.13245	7.0
186.14034	5.2
187.14807	16.6
189.16365	39.5
191.17914	16.1
199.14833	8.4
201.16373	9.7
203.17952	30.2
205.19534	3.1
207.17455	2.7
213.16440	7.0
214.17162	5.5
215.17963	23.1
217.15938	2.7
217.19542	9.5
219.17491	3.1
227.17960	7.0
229.19536	32.8
230.19936	2.3
231.21144	13.5
233.19083	6.1
241.19600	5.8
243.21095	9.4
245.22604	2.5
247.20564	16.2
255.21100	7.4
257.22632	11.7
259.20505	3.9
259.24249	4.9
269.22580	5.5
271.24246	6.2
273.22232	2.2
287.23730	3.4
299.27365	2.7
323.27219	3.5
393.35165	50.7
394.35495	6.1
411.36227	100.0
412.36707	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	411.3619
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03930	2.4
55.05505	11.4
57.07064	3.2
67.05499	20.9
68.50362	1.4
69.07059	18.4
70.77619	2.8
70.77977	1.9
71.08602	1.8
79.05484	19.8
81.07051	56.0
82.07370	1.6
83.08605	7.3
91.05459	13.4
93.07041	49.6
95.04986	3.5
95.08602	100.0
97.10162	5.4
105.07026	27.0
107.08587	78.2
109.10148	46.2
111.08047	1.8
111.11723	2.1
116.68806	1.7
119.08582	42.3
121.10134	57.6
123.08036	3.4
123.11690	16.8
131.08554	3.7
133.10121	27.8
135.11690	33.6
137.13235	5.0
145.10091	11.2
147.11661	18.6
149.13254	36.1
150.13576	2.2
157.10201	2.0
159.11745	10.4
161.13229	23.9
163.14812	63.6
165.12778	2.8
173.13243	8.8
175.14836	25.0
177.16396	21.6
179.14297	6.5
187.14777	13.5
189.16367	29.3
191.17993	16.7
199.14893	1.9
201.16322	8.1
202.16679	1.8
203.17937	35.6
205.15868	2.4
205.19510	3.5
207.17448	4.9
215.17984	6.6
217.19521	7.1
227.17975	3.0
228.12784	1.7
229.19519	3.9
231.21040	15.9
233.18983	3.5
241.19388	1.7
243.21111	2.1
247.20508	3.6
255.21072	3.1
269.22571	3.4
290.19583	1.7
297.25781	9.5
297.29294	1.4
315.26938	4.8
341.28473	1.8
351.30441	1.7
393.35062	10.3
411.36237	75.6
412.36783	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	411.3619
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03929	1.0
55.05512	5.9
57.03437	0.9
57.07082	2.9
65.03946	0.6
65.72392	0.5
67.05503	9.9
69.03440	0.6
69.07067	8.7
69.54361	3.6
71.08639	0.6
71.66599	0.5
75.20793	0.5
79.05493	6.7
81.07056	19.1
83.08627	4.6
84.04510	0.7
85.06534	0.5
91.05474	7.3
93.07040	18.2
95.04961	1.8
95.05521	0.6
95.08604	36.2
96.08922	0.6
97.06526	1.6
97.10181	2.6
99.08065	0.9
105.07030	18.0
107.08586	28.1
108.08899	0.7
109.10154	21.1
111.08080	2.3
111.11693	0.8
117.07032	1.0
119.08580	22.4
121.10142	26.8
122.10436	0.8
123.08147	0.8
123.11694	9.4
125.09617	1.0
125.13408	0.5
130.05058	0.8
131.08556	2.2
133.10124	21.0
135.11684	18.9
137.09589	0.9
137.13263	3.8
145.10098	4.3
147.11682	15.2
149.13261	11.9
151.11154	0.8
151.14824	1.2
157.10110	0.7
159.11678	4.4
161.13254	12.1
163.11168	0.6
163.14819	7.9
165.12778	1.0
171.11635	0.9
173.13275	4.1
175.14803	14.2
177.16389	16.0
179.14378	1.2
187.14796	3.6
189.16371	12.1
189.17923	0.9
190.16774	0.6
191.17943	2.5
193.15836	0.7
199.14842	0.8
201.16394	2.4
203.17952	13.9
204.18320	0.7
205.19554	0.9
211.14859	0.6
213.16362	1.1
215.17975	2.3
217.19524	3.9
219.17390	0.9
221.18999	0.8
227.17957	1.0
229.19542	1.6
231.21071	4.0
241.19522	0.9
243.21008	0.9
255.20972	1.2
257.22675	1.3
269.22665	0.7
273.22366	0.7
287.23828	0.7
308.93799	0.6
366.61041	0.6
393.35156	4.2
411.36240	100.0
412.36749	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	411.3617
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03924	0.7
55.05503	4.8
57.03437	0.7
57.07060	1.4
59.04995	0.4
62.48322	0.4
65.03910	0.6
67.05499	8.0
69.07063	7.5
69.54046	3.2
71.08624	0.9
79.05483	5.7
81.07050	20.3
83.08608	4.3
85.06538	0.8
91.05467	6.6
93.07039	16.6
95.04935	0.9
95.08601	32.6
97.06532	1.3
97.10166	2.5
105.07024	14.8
106.89708	0.4
107.08582	26.4
108.08922	0.4
108.22355	0.4
109.06509	0.6
109.10147	20.8
111.08086	2.4
111.11738	1.1
114.26707	0.4
117.07016	1.3
119.07707	0.7
119.08575	20.5
121.10136	21.6
123.08093	0.5
123.11697	7.9
125.09631	0.9
127.11208	0.5
131.08565	2.7
133.10124	18.9
134.10410	0.6
135.11681	16.4
137.09618	0.8
137.13229	3.0
143.08580	0.5
145.10129	4.1
147.11676	16.3
147.12817	0.9
147.97894	0.5
149.13246	10.6
151.11192	0.8
151.14818	0.7
157.10094	0.9
158.10889	0.5
159.11703	3.7
161.13255	11.1
163.14809	5.3
165.12785	0.9
165.30283	0.4
171.11673	0.6
173.13243	3.0
173.14545	0.4
175.14816	14.8
175.16313	0.8
177.14839	0.8
177.16370	14.9
177.17856	0.9
179.14297	0.4
185.13245	0.5
187.14844	2.9
189.16374	12.2
190.16592	0.6
191.17929	2.5
197.81450	0.4
199.14722	0.6
201.16374	3.1
203.16046	0.9
203.17934	14.7
204.18384	0.5
205.19589	1.1
207.17514	0.8
213.16293	0.5
214.87080	0.4
215.18008	2.1
217.19514	4.9
221.19057	1.1
227.17938	0.5
229.19560	1.5
231.21071	4.3
233.18890	0.4
243.21077	1.3
255.21089	0.8
257.22766	1.4
269.22665	0.8
271.24045	0.6
283.24222	0.6
285.07727	0.5
325.28952	0.5
333.07831	0.5
361.07211	0.6
393.09460	0.6
393.35129	4.3
394.35001	0.4
398.44293	0.4
410.75742	0.4
411.11029	1.0
411.36212	100.0
412.36588	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	411.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
67.05490	1.2
69.07054	1.3
72.32529	0.3
74.95868	0.4
79.05472	1.3
80.04997	1.0
81.07057	3.2
83.08607	1.0
91.05478	1.7
93.05773	0.6
93.07039	2.3
94.06556	3.8
95.04993	0.4
95.08598	4.1
103.05454	1.2
105.07030	2.0
106.06574	0.8
106.07366	0.3
107.04913	0.4
107.08584	3.1
108.08091	0.5
109.10153	1.8
115.05428	1.4
117.05721	0.7
117.07008	6.2
118.06560	0.6
119.08575	2.3
121.02866	1.3
121.10145	2.7
123.11700	0.9
128.04942	0.6
128.06175	0.8
129.07031	0.9
130.06516	4.2
131.08527	0.5
133.10118	1.8
135.11684	0.9
137.13260	0.4
143.07291	6.8
143.08514	1.4
144.08072	100.0
145.06459	1.5
145.08432	1.7
145.10080	1.0
147.04370	1.9
147.11688	1.3
149.13225	1.3
154.06464	0.4
155.06029	1.4
155.07274	1.7
157.10054	0.5
158.09589	0.9
159.11699	1.0
161.13258	0.9
163.14806	1.5
168.08087	1.5
170.09637	9.7
170.11089	0.6
172.11168	3.9
173.06064	0.5
173.13246	0.8
175.03914	7.0
175.14833	1.2
177.16408	1.3
180.08005	0.7
181.06483	0.5
187.14798	0.8
189.16414	2.6
191.17932	0.5
192.51750	0.3
201.05365	0.4
201.16417	0.4
203.17946	1.6
207.09154	0.6
208.07649	0.6
208.09929	1.0
213.05457	0.5
221.10780	1.7
222.09355	0.5
226.08618	0.7
233.19203	0.4
234.09071	0.4
235.12233	0.6
235.36182	0.4
236.07021	3.9
236.13106	1.4
237.07571	0.6
237.13864	4.7
240.06604	0.9
240.10034	0.4
242.08118	2.2
250.08621	2.6
251.06926	0.9
252.06529	1.1
253.07401	0.7
254.08107	12.8
262.08612	1.1
265.07245	0.6
268.09698	14.2
269.09854	0.5
280.09689	2.8
281.10410	0.9
282.11227	0.6
294.11139	1.2
364.12442	0.4
381.12302	1.0
382.13080	4.7
393.15927	1.5
396.14929	1.7
411.17001	47.4
411.36142	1.5
412.17294	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	409.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.0
57.07067	10.9
59.53152	5.2
67.05504	27.9
69.07066	57.1
70.87204	4.9
70.87540	10.7
71.08669	5.6
72.10898	4.9
76.51170	4.5
79.05482	19.0
81.06600	7.1
81.07053	94.7
83.08628	24.4
91.05468	12.5
93.07038	34.8
95.08611	75.9
97.10157	10.7
105.07034	21.6
107.08596	44.0
109.10165	54.9
111.11787	7.9
119.08562	25.2
121.10134	42.6
123.11730	34.4
131.08502	7.0
133.10127	26.8
135.11688	38.1
137.13257	17.5
145.10089	20.5
147.11687	24.8
149.13261	25.8
157.10182	7.0
159.11661	20.6
161.13260	20.1
163.14810	20.2
171.11662	8.0
173.13228	21.2
175.14818	15.5
177.16364	15.5
180.21028	5.4
185.13202	8.5
187.14809	12.7
189.16321	13.3
191.17941	10.6
201.16377	7.7
203.17918	14.9
215.17912	9.0
217.19589	9.4
227.17912	7.2
229.19565	15.2
232.17783	5.9
243.20938	9.3
257.22626	15.0
271.24323	6.9
323.12634	5.1
327.30453	10.1
409.38339	100.0
410.38641	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	409.3827
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05508	7.4
57.07075	7.2
58.33642	1.0
58.36784	1.0
65.03949	1.4
65.66171	0.9
67.05504	18.1
69.07068	15.4
70.78070	2.1
71.08624	1.9
75.94932	0.8
79.05485	9.1
81.07054	66.5
83.08613	7.6
85.10164	1.3
91.05470	3.5
93.07035	17.0
95.08601	100.0
96.08950	2.3
97.10172	5.1
105.07037	10.2
107.08585	22.1
109.10152	33.3
111.11694	2.4
119.08575	14.8
121.10131	20.5
121.10934	1.6
123.11706	22.2
131.08560	2.8
133.10115	10.5
135.11694	16.8
137.13252	59.3
145.10100	4.3
145.50737	0.9
147.11679	7.7
149.13261	13.3
151.14799	3.3
157.10132	1.5
159.11633	4.4
161.13252	7.4
163.14819	8.7
165.16393	1.3
171.11755	1.4
173.13196	5.1
175.14812	5.5
177.16426	6.2
179.17992	1.7
187.14795	2.6
189.16382	6.8
191.17949	5.1
193.19533	2.2
201.16386	4.0
203.17967	5.7
205.19476	2.9
215.17993	5.9
217.19489	3.7
219.21204	1.2
227.17911	1.3
229.19469	5.4
231.21106	3.7
243.21132	1.9
245.22577	2.2
257.22568	6.0
259.20535	1.3
259.24191	6.9
271.24149	5.8
273.25485	1.1
285.25671	2.9
290.61697	1.0
299.27048	1.1
313.28693	1.3
349.11914	1.0
391.33609	2.0
409.38718	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3821
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
54.14912	4.1
55.05495	21.2
57.07077	8.7
66.17486	4.3
67.05496	24.9
69.07066	52.8
70.53956	5.3
70.54308	16.7
71.08617	5.5
79.05476	10.9
79.17485	4.3
81.07051	85.0
83.08614	21.2
91.05473	15.7
93.07040	28.3
95.08594	71.4
97.10147	10.2
100.57851	5.0
103.58997	5.7
105.07040	28.3
107.08598	41.2
107.59512	4.5
109.10149	56.0
111.11737	8.3
116.56995	4.6
119.08574	28.6
121.10143	35.4
123.11688	25.4
131.08551	11.4
133.10098	25.0
134.85670	4.5
135.11714	21.3
137.13255	18.0
144.09319	5.6
145.10149	11.6
147.11664	23.6
149.13268	26.5
157.10039	7.9
159.11710	14.3
161.13271	20.0
163.14835	14.3
171.11681	7.1
173.13268	16.1
175.14827	14.6
177.16371	10.2
185.13199	6.3
187.14853	9.2
189.16364	11.5
191.17967	10.1
203.17950	13.2
213.16473	6.3
215.18024	12.7
217.19525	14.4
227.18001	4.8
229.19525	14.4
231.20979	9.8
243.21091	6.7
245.22607	5.7
257.22659	7.1
271.10248	4.7
271.24292	8.3
299.27356	5.2
327.30359	7.6
409.33759	7.6
409.38400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05504	10.7
57.07074	2.4
58.72443	0.9
65.03942	1.8
67.05501	27.1
69.03422	1.1
69.07064	20.3
69.40368	2.0
69.40775	6.2
72.21004	1.0
79.05490	25.0
81.07053	30.1
83.04957	2.1
83.08616	8.7
90.85116	1.4
91.05475	14.5
93.07041	35.3
95.02949	1.1
95.04962	2.0
95.08606	73.6
96.08936	1.8
97.06541	1.2
97.10173	3.3
98.20868	1.9
98.21484	2.3
102.69762	0.9
105.07031	27.3
107.08588	100.0
108.08907	1.5
109.06493	2.2
109.10149	41.4
110.10551	1.3
111.11700	1.2
117.07012	4.5
119.08573	35.5
121.10139	54.3
122.10500	1.5
123.11687	9.6
131.08549	9.5
133.10118	30.9
134.00586	1.0
135.08041	6.1
135.11679	25.2
137.09633	1.7
137.13252	3.2
143.08582	3.1
145.10114	19.5
147.11678	17.1
149.09624	3.3
149.13248	24.1
157.10130	4.0
158.10895	2.1
159.11676	13.6
161.13242	10.6
163.11162	10.1
163.14795	17.2
165.12752	2.1
167.54285	1.0
171.11719	3.6
172.12338	1.3
173.13229	8.9
175.11220	3.7
175.14830	29.0
177.12750	2.9
177.16371	44.5
178.16750	2.1
185.13298	3.6
187.14798	20.5
189.16396	14.5
191.14247	1.5
191.17921	7.6
199.14821	3.3
201.16342	6.2
203.14421	3.2
203.17952	40.6
204.18361	1.5
205.15872	77.2
206.16249	3.2
207.17503	1.2
213.16383	5.4
215.17949	8.7
217.15863	2.1
217.19589	1.9
219.17427	4.0
225.16426	2.2
227.17972	2.0
229.19551	4.0
231.17456	3.5
231.21193	2.1
239.17915	1.7
241.19398	1.2
243.21101	2.7
245.18973	2.1
255.21150	2.9
267.21173	1.1
269.22818	1.1
285.22635	1.6
285.25687	8.8
295.24210	16.0
313.25204	13.8
314.25702	1.5
339.27023	2.1
381.35223	1.3
391.33728	6.8
409.26184	2.4
409.34686	50.6
409.40250	2.4
410.35104	4.0
426.56329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.4
57.03402	2.2
57.07050	4.0
65.03920	2.1
67.01518	1.6
67.05493	9.9
69.07072	12.6
69.94336	4.6
69.94750	4.2
79.05480	5.5
81.07055	23.3
83.08598	5.5
91.05458	4.4
93.07034	14.8
95.04964	2.8
95.08601	35.0
96.19781	1.5
97.10158	3.7
98.21491	3.2
102.06595	1.5
105.07036	12.1
107.08587	25.1
109.06487	2.4
109.10147	21.1
111.11686	2.4
118.95865	1.6
119.08585	12.7
121.10133	14.8
123.11698	9.1
129.06944	2.0
131.08549	4.5
133.10071	10.0
135.08047	3.5
135.11713	11.3
137.13266	13.6
145.10118	7.3
147.11661	7.4
149.09471	1.8
149.13272	13.6
157.10080	3.1
159.11656	5.6
161.13219	5.1
163.11211	1.8
163.14825	6.7
164.09332	1.7
172.78226	1.7
173.13235	5.6
175.14804	7.9
177.16403	10.4
183.11627	1.9
185.13277	3.8
187.14777	5.2
188.26237	1.5
189.16354	4.9
191.17924	4.0
199.14809	2.1
201.16374	5.3
203.17914	5.9
205.15837	5.0
215.17874	3.0
217.15901	2.2
217.19522	2.2
219.17490	2.3
229.19574	2.4
231.20982	2.6
241.19432	2.4
245.19041	2.3
255.21063	3.0
259.24255	1.8
267.21155	2.9
285.22116	5.0
391.33490	9.9
409.34546	100.0
410.34872	10.5
433.61963	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78894	1.7
53.03940	3.7
55.05506	17.5
57.03440	2.8
57.07064	5.0
59.63743	1.5
64.97717	1.9
67.05503	34.2
69.07065	38.0
71.08612	1.9
79.05488	23.0
81.07052	62.7
82.38226	1.7
83.05001	4.6
83.08613	10.5
91.05472	22.4
93.07042	63.0
95.04968	5.9
95.08605	89.1
96.08946	2.0
97.06534	6.3
97.10175	8.9
103.05444	2.0
105.07023	49.9
105.07689	2.9
106.07379	2.2
107.08591	87.6
109.06556	2.6
109.10147	45.9
111.08083	1.9
111.11698	1.8
113.61615	1.7
117.07003	8.8
119.08572	57.9
121.10139	63.4
121.39713	1.6
122.10527	2.5
123.08069	5.8
123.11697	19.2
128.06244	2.6
129.07027	4.8
131.08560	19.8
133.10127	45.8
133.11110	2.7
134.10497	1.9
135.08060	5.9
135.11685	34.8
137.09613	4.9
137.13246	9.4
139.11205	3.6
142.07785	2.1
143.08553	11.8
144.09348	2.8
145.10126	31.4
146.87119	1.9
147.11688	33.5
149.09604	4.2
149.13257	71.7
151.11151	4.1
155.08592	2.6
155.10638	1.8
157.10118	11.6
158.10994	1.8
159.11685	23.3
160.12100	1.7
161.09630	2.1
161.13248	22.7
163.11238	7.8
163.14818	65.1
164.15074	2.4
165.12752	30.4
169.10138	4.4
171.11671	10.2
173.11829	4.1
173.13194	17.6
175.11255	3.5
175.14818	34.9
177.12796	4.6
177.16385	45.2
178.16748	1.8
179.14272	2.9
183.11713	4.7
185.13318	7.4
187.14809	44.1
188.15108	2.3
189.12770	2.4
189.16370	70.9
191.14314	4.6
191.17953	18.8
193.15865	9.4
197.13289	4.2
199.14786	9.9
201.16360	22.7
203.14391	2.2
203.17946	39.0
204.18286	2.1
205.15854	16.8
205.19598	2.2
207.17488	2.5
211.14937	3.5
213.16347	12.4
215.17963	22.7
217.15895	2.5
217.19527	13.8
219.17410	12.8
225.16364	4.6
227.17964	9.3
229.19534	10.2
231.17441	5.9
231.21095	4.8
233.18874	9.3
235.20621	3.1
239.18062	4.6
241.19478	12.4
242.20161	1.7
243.21178	7.2
245.19144	3.4
245.22676	4.6
253.19615	5.4
255.21004	11.7
257.22684	4.5
259.20615	4.5
267.21146	3.8
269.22708	5.7
283.24213	2.0
285.22137	8.1
295.24261	2.2
321.25882	2.2
391.29419	3.2
391.33655	26.9
392.34265	3.6
409.25992	6.2
409.34824	100.0
410.35193	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05513	4.7
55.05719	0.7
57.03423	0.9
57.07060	1.7
65.03919	1.2
67.05500	8.9
69.07064	14.5
69.25117	0.7
69.38324	4.3
69.38728	1.9
79.05485	8.0
81.07052	28.5
83.08616	4.4
86.96655	0.7
91.05473	8.3
93.07038	23.1
95.04955	1.6
95.08601	35.0
97.06561	0.8
97.10167	1.7
98.21636	0.7
105.07020	17.7
107.08583	34.9
107.09318	1.7
108.08880	0.8
109.06530	0.7
109.09474	1.2
109.10156	14.9
111.08056	1.6
111.11751	1.0
117.07013	3.9
119.08581	21.7
120.97726	0.8
121.10141	22.4
123.11702	7.2
129.06985	2.1
131.08545	9.8
133.10117	16.7
134.10466	0.8
135.10704	1.3
135.11688	14.5
137.13263	7.8
141.06961	1.1
142.07861	0.8
142.86150	0.7
143.08542	5.1
145.10109	14.6
147.11676	21.4
148.12021	0.7
149.13245	31.1
150.13622	0.8
153.12708	0.8
155.08614	1.2
157.10118	7.3
159.11700	12.7
160.12146	0.7
161.13239	7.8
163.11191	1.4
163.14815	42.0
164.15131	1.6
164.24370	0.8
165.12834	0.8
169.10132	1.9
171.11702	5.9
172.12372	0.7
173.13254	8.5
175.14825	10.4
177.16374	12.6
179.14272	1.2
182.11070	0.7
183.11739	0.9
185.13275	5.1
187.14816	15.9
188.15283	0.7
189.16377	12.3
191.14253	1.2
191.17966	2.5
196.55159	0.8
197.13234	2.1
199.14806	6.1
201.16367	10.2
202.16693	0.9
203.14378	1.2
203.17929	15.2
204.18271	0.8
205.15894	3.8
205.19461	0.8
207.17435	1.8
211.14844	1.1
213.16338	7.1
215.17953	14.4
217.19531	3.1
219.17520	1.0
225.16376	1.4
226.17027	0.8
227.17944	7.3
228.18646	1.8
229.15906	0.9
229.19461	11.8
230.16557	0.8
231.17499	1.4
231.21077	2.1
239.18105	2.2
241.19461	10.8
242.20001	1.5
243.17319	0.8
243.21065	6.3
252.18388	0.8
253.19473	2.9
255.21094	21.6
256.21530	1.3
257.22641	9.0
258.23013	1.0
259.20636	4.5
267.21112	2.9
269.22632	17.4
271.20496	1.1
281.22635	1.0
283.24240	1.0
285.22113	18.5
286.22467	1.2
295.24191	3.9
307.24088	1.1
321.25995	0.9
333.25717	0.8
391.33572	12.4
409.34641	100.0
410.34952	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
55.05507	13.7
57.07068	4.2
63.20555	2.1
63.81141	2.3
67.05501	27.1
69.07051	22.4
79.05486	23.3
81.06604	3.5
81.07054	57.2
83.08601	10.1
91.05473	20.0
93.07034	44.6
95.07991	5.1
95.08600	100.0
97.10146	9.5
98.20821	7.1
105.07025	56.7
107.08588	63.1
109.10149	56.8
111.08068	4.7
117.07001	7.8
119.08572	75.9
121.10131	46.8
123.08086	2.7
123.11701	14.5
125.09618	3.4
129.06967	3.3
131.08551	15.3
133.10117	43.7
135.11691	26.0
137.13220	3.7
142.07773	3.3
143.08556	9.1
145.10118	37.3
147.11674	29.5
149.13234	25.4
155.08475	2.4
157.10101	9.4
159.11676	27.0
161.09637	3.1
161.13226	18.6
163.14789	25.8
171.11656	9.7
173.13242	23.6
175.14807	25.2
177.16383	25.2
178.22131	2.2
185.13234	8.1
187.14828	19.1
189.16371	40.5
191.14351	3.1
191.17896	13.7
193.15846	4.2
197.13249	3.2
199.14833	12.3
201.16350	31.9
203.14352	6.6
203.17921	29.2
205.15877	4.4
211.14780	3.1
213.16362	9.0
215.17957	17.6
217.19530	6.3
219.17462	5.3
225.16278	4.0
227.18016	5.7
229.19412	11.0
229.39635	3.2
231.17451	4.7
233.19023	10.1
239.17903	2.6
241.19441	5.1
243.21068	6.1
245.19008	2.8
255.21260	2.9
281.22681	2.7
285.22128	2.9
285.25497	2.6
295.24283	2.9
313.25070	3.5
327.26816	8.7
339.26901	8.9
381.35272	3.3
391.33600	23.2
392.33725	3.5
409.34650	99.8
410.35132	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
51.32734	0.8
53.03931	2.4
53.11174	1.1
55.05506	14.9
57.07062	6.3
59.04985	1.4
63.84103	1.0
65.72746	0.9
67.05502	29.4
69.03424	1.9
69.07063	23.4
69.18552	8.2
69.18971	2.3
69.19202	0.9
70.07404	1.2
71.04980	0.9
77.03896	1.0
79.05488	23.1
79.59043	0.8
81.07051	61.3
82.07357	1.2
83.04968	1.9
83.08610	9.1
85.06501	2.1
91.05476	21.8
93.07039	47.3
94.82494	0.9
95.04977	6.7
95.08601	93.0
96.08882	1.1
97.06500	3.7
97.09647	0.9
97.10159	5.9
105.07026	54.2
106.07410	1.3
107.08586	64.5
108.08886	1.3
109.06510	5.6
109.10148	42.7
111.08085	9.4
111.11731	1.8
117.07025	6.3
119.08575	50.0
121.06481	2.8
121.10133	46.7
123.08053	4.8
123.11709	18.5
125.09626	2.1
128.06216	1.5
129.06984	5.3
130.07777	2.3
131.08548	17.0
133.10121	33.0
135.08069	3.2
135.11684	28.4
137.09612	3.4
137.13245	6.7
139.11186	3.1
141.07014	1.4
142.07773	2.3
143.08569	10.1
144.09328	1.9
145.10120	30.3
147.08055	2.6
147.11674	32.4
148.11990	1.4
149.09621	2.7
149.13252	34.4
151.07544	2.4
151.11153	2.3
153.12711	1.3
155.08566	3.0
156.09271	1.6
157.10112	13.3
157.17882	1.0
159.10472	1.8
159.11693	22.4
161.09575	1.2
161.13248	23.5
163.11174	4.7
163.14815	29.3
165.09111	3.5
165.12766	8.3
168.09299	1.0
169.10114	3.8
171.11702	9.7
173.13264	18.3
175.11195	5.7
175.14809	26.7
177.12820	2.2
177.16377	25.8
179.14250	2.4
183.11673	4.4
185.13225	8.1
187.14806	35.6
187.16476	1.7
189.12769	1.4
189.16373	29.4
191.14368	1.5
191.17949	9.3
193.15907	2.6
195.11743	1.2
197.13194	1.9
199.14766	9.6
200.15446	1.3
201.12762	1.8
201.16371	14.1
203.14276	4.9
203.17947	33.0
203.19792	2.0
204.18330	1.3
205.15874	11.6
205.19530	2.8
207.13911	1.0
207.17424	1.5
211.14835	3.9
213.16356	18.4
214.17067	1.3
215.17955	14.4
217.15955	3.5
217.19441	7.9
219.17456	5.8
221.15340	7.6
223.14818	1.1
225.16371	3.1
226.17177	1.2
227.17885	6.6
229.19513	8.4
231.17471	4.2
231.21078	1.7
233.19031	2.8
234.16087	1.4
239.17960	3.8
241.19464	7.8
243.21129	8.4
245.18991	3.0
245.22626	1.9
251.57256	1.0
253.19505	4.5
255.21056	12.4
257.22510	5.9
259.20605	2.9
267.21066	4.3
269.22717	5.9
271.20398	1.0
281.22754	1.9
285.22202	2.4
287.20090	1.0
295.24051	1.7
309.25742	2.0
312.21323	1.1
313.25198	3.1
335.26898	1.8
339.26846	2.2
351.30353	5.1
353.28610	1.1
381.35275	1.2
391.33594	18.2
392.33661	1.3
409.26865	4.9
409.34650	100.0
410.35104	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54383	0.9
51.15333	1.0
53.03939	1.6
55.05496	9.3
57.07067	2.8
67.05501	15.6
69.07058	19.4
69.17550	13.1
76.71251	1.1
77.50983	1.1
79.05483	16.3
81.07051	36.1
83.04965	1.7
83.08606	6.5
87.73283	1.3
89.80522	1.2
91.05479	11.7
93.07035	37.1
95.04972	2.2
95.08601	71.5
97.10146	6.1
97.94668	1.1
98.20731	2.3
104.13452	1.0
105.07023	35.1
107.08582	66.4
108.08923	1.2
109.10154	37.4
111.11731	1.2
117.07019	3.1
119.08575	34.5
121.06470	2.4
121.10136	53.1
123.08060	1.9
123.11716	11.2
129.06958	1.8
130.07722	1.7
131.08559	7.9
133.10120	31.9
135.08047	5.0
135.11673	22.7
136.12025	1.6
137.09541	1.7
137.13208	2.5
143.08534	2.2
145.10110	16.7
147.11685	20.1
149.12045	2.1
149.13246	44.1
150.13634	2.2
157.10042	1.8
159.11659	12.8
161.09610	1.3
161.13251	17.3
163.11183	16.0
163.14810	32.4
163.16141	2.2
168.70255	1.2
171.11664	2.3
172.12469	2.4
173.13243	5.0
175.11206	2.7
175.14807	28.9
177.12791	3.9
177.16368	46.4
178.16794	1.9
185.13257	1.9
187.14798	18.8
189.12717	1.6
189.16373	21.9
190.16623	1.2
191.14311	2.3
191.17920	12.5
199.14803	2.0
201.16409	8.8
203.17937	100.0
204.18295	4.5
205.15866	55.0
205.19353	6.6
206.16170	1.7
207.17432	2.3
213.16435	2.5
215.17940	5.6
217.15984	2.0
217.19482	3.9
219.17374	5.6
227.17937	2.9
229.19609	2.8
231.17458	5.4
231.21059	2.2
233.33038	1.3
239.17961	1.4
243.21165	1.8
253.19257	1.4
255.20973	2.4
259.20645	1.3
267.21094	1.5
271.20499	1.3
344.64230	1.4
381.35071	3.8
391.33603	7.9
409.34613	68.7
410.34845	6.9
410.94849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.7
55.05508	8.5
57.07053	1.8
57.70962	1.4
67.05505	18.0
69.07063	14.6
70.66876	4.0
79.05483	11.1
80.63439	1.3
81.06592	2.4
81.07056	34.5
83.08619	8.8
91.05476	10.8
93.07038	24.8
95.04953	1.6
95.08606	48.8
95.54744	1.3
97.06537	2.0
97.10168	3.8
105.07028	27.8
107.07881	2.6
107.08592	40.7
107.09308	2.2
109.10163	25.0
111.08080	2.1
111.11746	2.7
111.98181	1.2
117.07019	5.3
119.08575	30.2
119.09383	2.2
121.10136	31.7
123.08058	2.6
123.11712	11.8
129.06943	2.3
131.08569	13.5
133.10124	23.0
135.11688	19.4
137.13240	6.1
142.07777	1.8
143.08560	7.0
145.10118	20.4
147.11702	15.7
149.13269	25.5
156.09328	1.7
157.10138	10.2
158.10788	1.5
159.11665	14.5
161.13225	15.5
163.14832	32.3
169.10196	1.5
169.33997	1.3
171.11681	6.4
173.13255	12.7
175.14832	14.6
177.16391	16.9
179.14284	3.6
185.13264	5.6
187.14813	17.1
189.16440	12.8
191.14328	2.0
191.17877	2.9
197.13251	2.8
199.14842	7.1
201.16309	11.1
203.17943	13.0
211.14766	3.8
213.16360	12.2
215.17944	23.0
217.19524	4.8
225.16473	2.6
227.17955	11.1
228.18401	1.7
229.19522	12.2
231.17445	2.5
231.21149	5.5
239.17966	1.9
241.19484	11.4
243.21092	9.8
253.19458	4.2
255.21088	24.8
256.21472	2.3
257.22595	6.4
259.20465	3.0
267.21124	4.0
269.22687	10.4
281.22565	1.6
285.22122	5.4
295.24203	5.0
309.25540	1.6
313.25568	1.4
335.27197	2.2
391.33594	31.1
392.34048	2.2
409.34644	100.0
410.34866	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01875	0.6
55.05507	6.4
57.07079	2.3
59.04997	0.5
65.03935	1.0
67.05135	0.6
67.05502	11.4
69.07071	9.7
71.04975	0.8
71.53069	0.5
79.05077	0.6
79.05495	8.9
80.05824	0.5
81.07054	23.9
82.07374	0.6
83.04968	2.1
83.08617	5.7
85.06532	0.6
90.39895	0.4
91.05476	9.7
93.07041	22.1
95.04957	1.5
95.08604	34.8
97.06528	1.9
97.10168	3.1
99.08107	1.5
105.04560	0.5
105.07027	19.0
107.08591	30.2
109.06525	1.4
109.10151	24.9
110.10455	0.6
111.08089	1.9
111.11737	0.5
111.96938	0.4
117.07024	2.7
119.08576	24.7
120.08904	0.7
121.06533	0.7
121.10140	34.1
122.10515	1.0
123.08059	2.8
123.11703	6.9
125.09618	1.7
127.11189	1.1
129.06987	1.0
130.07745	0.5
131.08571	7.9
133.09122	1.0
133.10127	21.1
134.10437	0.6
135.08035	1.0
135.11681	15.0
136.11974	0.7
137.09578	2.0
137.13213	2.7
139.11200	0.5
143.08563	2.7
144.09305	0.7
145.10127	11.1
146.10533	0.7
147.08026	0.5
147.11685	12.5
148.11955	0.5
149.09583	2.1
149.13257	10.1
151.11166	2.8
151.14807	0.8
152.05637	0.5
157.10118	3.0
159.11673	10.5
160.12103	0.5
161.09683	0.5
161.13248	9.6
163.11168	4.0
163.14845	6.7
165.12753	0.8
168.49229	0.4
169.10141	0.7
171.11691	3.0
173.11765	0.9
173.13226	7.5
174.13626	0.6
175.11162	0.6
175.14828	14.2
176.15160	0.7
177.12828	2.9
177.16380	24.5
178.16774	1.0
179.14326	0.7
183.11720	1.2
185.13168	2.2
186.13922	0.7
187.14809	8.1
188.15169	1.0
189.16382	15.9
190.16631	0.6
191.14307	0.9
191.17955	3.4
193.15919	2.2
197.13264	1.0
199.14804	2.4
199.18410	0.6
201.16380	8.0
202.16843	0.5
203.14281	0.4
203.17960	4.8
205.15932	2.6
206.16072	0.4
207.17479	0.5
211.14850	0.7
213.16365	2.6
215.17979	2.6
217.15906	0.6
217.19510	1.9
219.17439	6.1
220.17671	0.5
223.14558	0.4
225.16382	0.9
227.17966	2.4
229.19553	1.8
231.17435	0.9
231.21028	1.6
233.19023	1.6
237.16426	0.5
239.17990	0.6
241.19418	2.0
243.21051	0.9
251.18340	0.5
253.19492	1.4
255.21082	1.6
257.22690	0.9
267.21045	0.8
269.22601	1.0
271.20566	0.7
281.22711	0.8
283.24295	0.7
295.24228	0.5
297.25613	2.2
299.23752	0.8
313.25244	0.7
335.27063	0.6
341.94162	0.5
363.30405	0.6
391.33563	3.7
391.38184	0.6
409.34665	100.0
410.26279	0.5
410.35037	7.6
414.44778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37789	0.9
53.03939	1.0
55.05507	11.8
57.03421	1.3
57.07075	2.2
65.03944	1.6
67.05505	25.6
68.05854	1.2
69.03433	2.2
69.07070	16.1
71.04987	1.1
71.52026	0.8
73.33838	0.8
79.05489	17.5
81.03444	1.5
81.07055	39.9
82.07416	1.1
83.04997	5.4
83.08607	7.1
85.06557	2.0
91.05466	17.2
93.07042	34.1
94.07382	1.4
95.04969	3.6
95.08602	62.5
96.08952	1.5
97.06541	2.3
97.10168	4.4
99.08105	3.6
103.05480	1.4
105.07027	33.2
107.08586	51.7
108.08944	1.7
109.06543	3.6
109.10154	45.3
111.08086	6.6
111.11722	1.7
111.68868	0.9
115.05420	1.0
117.07014	5.2
119.08578	36.4
120.08932	2.4
121.10137	43.7
122.10474	2.1
123.08097	3.4
123.11707	18.0
125.09639	4.7
129.07016	2.6
130.07784	1.2
131.08565	21.1
132.08965	1.1
133.10129	28.2
133.11101	1.8
134.10466	1.8
135.08057	1.7
135.11691	24.2
136.12030	1.1
137.09653	2.7
137.13293	3.4
139.11246	1.6
143.08575	5.9
144.09355	1.1
145.10118	33.3
146.10489	2.6
147.11679	18.4
149.09647	2.0
149.13257	19.7
149.14388	1.5
151.11235	2.4
153.12779	1.8
157.10120	9.1
158.10880	2.5
159.11684	17.9
159.12885	1.3
160.12148	1.3
161.13274	14.8
162.13634	1.7
163.11171	4.6
163.14824	16.4
164.15195	1.3
165.12842	1.4
165.16449	1.3
169.10226	2.6
169.50314	0.9
171.11688	4.5
172.12419	1.7
173.11829	2.2
173.13245	11.6
174.13692	1.1
175.14839	21.1
175.16255	1.5
176.15189	1.0
177.12872	2.5
177.16393	25.5
177.17839	1.6
181.05054	1.4
183.11812	2.6
185.13202	5.5
187.14810	100.0
188.15118	5.5
189.16402	20.7
189.17928	1.4
190.16864	1.5
191.14381	2.9
191.17950	17.8
192.18349	0.9
193.15968	3.6
197.13315	3.3
199.14810	4.9
201.16377	19.9
202.16707	1.6
203.17946	26.7
204.18346	1.6
205.15869	12.3
211.14783	2.5
213.16386	13.2
214.16771	2.3
215.17976	5.7
216.18213	1.4
217.15977	2.0
217.19543	15.3
219.17445	9.2
225.16437	3.5
227.17937	6.9
229.05232	1.0
229.19495	3.3
231.17418	2.9
231.21234	1.5
235.20616	1.2
239.18030	2.5
241.19495	6.6
243.21216	2.5
245.19112	1.8
245.22704	3.1
253.19611	3.0
255.21040	4.2
257.04272	1.1
257.22742	4.5
267.21277	2.5
269.22653	3.3
271.24182	0.9
281.22574	1.8
285.22226	1.5
309.25616	1.6
321.26004	1.5
363.30499	3.4
391.33606	10.8
409.16449	1.1
409.26862	6.9
409.34747	48.0
410.35263	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37033	1.2
53.03926	1.3
55.05320	0.9
55.05508	9.1
57.03431	1.3
57.07069	1.3
63.82184	1.1
67.05502	23.1
69.07061	18.8
69.16456	3.0
69.16882	9.1
71.05006	1.2
78.49841	0.9
79.05486	24.4
81.06593	2.0
81.07055	35.3
83.04970	3.7
83.08608	6.8
87.05773	1.0
91.05476	15.2
93.07036	33.3
95.04951	3.4
95.08602	72.6
97.06528	1.1
97.10148	2.7
98.20790	1.7
105.07021	29.6
107.08587	100.0
108.08939	2.0
109.06524	3.3
109.10152	41.8
110.10522	1.0
111.08074	2.5
114.99760	1.0
117.07018	3.7
119.08569	36.7
121.06477	1.8
121.10136	52.2
123.11703	12.5
129.07022	1.7
131.08582	7.8
133.10110	28.2
135.08052	5.6
135.11694	21.4
137.09634	2.1
137.13243	4.7
139.11169	1.4
143.08574	4.0
143.50107	1.0
145.10129	20.7
147.11687	20.5
149.09555	2.0
149.13239	27.1
150.13609	1.4
151.11172	1.5
151.14714	1.1
155.08530	1.5
157.10088	3.3
158.10884	1.8
159.11684	13.6
160.12331	1.2
161.13254	12.5
163.11188	10.9
163.14798	14.6
169.10065	1.5
171.11671	4.6
173.13286	9.4
175.11172	2.9
175.14813	28.6
177.12721	3.2
177.16388	39.7
177.37224	1.2
185.13266	4.2
187.14813	19.0
189.12769	2.1
189.16396	13.5
191.14322	1.8
191.17892	8.0
197.13300	1.1
199.14816	3.6
201.16402	9.1
203.14362	3.1
203.17947	30.5
203.19789	2.3
205.15869	67.0
205.19345	2.4
206.16180	2.0
207.17387	1.9
211.14796	1.8
213.16405	4.6
215.17903	7.3
217.15930	1.7
217.19618	2.1
219.17451	3.1
227.17957	3.1
229.19427	3.2
231.17441	1.8
231.21037	1.5
239.18025	2.2
241.19464	2.3
243.21069	3.8
253.19438	2.0
255.21062	3.7
267.21313	1.5
269.22476	1.6
285.25760	10.8
295.24182	13.2
313.25201	16.6
321.25284	1.3
339.26700	2.6
367.29596	1.2
391.33652	7.7
409.26245	2.0
409.34631	49.4
410.35034	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01852	2.6
55.05509	25.0
57.03434	3.8
57.07068	7.0
59.04990	4.2
65.03938	4.7
65.87606	2.2
67.05503	50.2
69.03405	7.1
69.07069	19.9
71.04950	2.3
71.51765	4.2
71.52130	1.9
77.03927	2.2
77.42924	1.9
79.05486	30.9
81.03410	3.8
81.06602	4.2
81.07053	63.5
83.04964	7.1
83.08601	11.1
85.06538	4.7
91.05476	40.8
93.07038	66.4
95.04961	41.3
95.08604	78.0
97.06524	13.1
97.10153	5.5
103.05444	2.7
105.04540	1.9
105.07025	100.0
107.08584	67.8
109.06537	18.1
109.10152	50.9
111.08050	5.9
116.62844	2.2
117.07001	18.4
119.04950	2.3
119.08578	88.0
121.06521	17.7
121.10137	41.6
123.08064	20.3
123.11700	11.5
125.09615	2.5
128.06204	6.9
129.07027	10.0
130.07745	3.5
131.08562	32.1
133.06474	5.6
133.10110	37.9
135.08060	16.9
135.11696	26.2
137.09587	7.7
137.13258	6.5
139.11177	3.3
141.07005	4.0
142.07788	11.5
143.08560	19.0
145.10114	55.7
146.10938	2.1
147.08029	15.4
147.11681	44.1
149.09616	12.0
149.13264	22.3
151.07539	32.6
151.11095	2.1
153.08994	1.9
155.08586	10.3
156.09332	6.3
157.10129	28.6
158.10628	2.5
159.08041	6.5
159.11685	30.4
161.09592	8.6
161.13223	14.6
163.11168	8.1
163.14807	23.4
165.09074	25.6
165.12729	2.9
167.08594	4.1
168.09288	5.2
169.10129	10.5
170.10780	4.3
171.11707	13.3
172.12515	2.2
173.09612	4.0
173.11774	5.0
173.13177	22.4
175.11147	15.6
175.14809	18.6
177.12633	2.9
177.16362	21.0
179.08434	3.5
179.10692	2.0
179.14273	2.3
181.10089	4.7
181.12256	3.6
183.11705	14.6
185.13274	8.8
185.30916	1.9
187.11157	5.9
187.14795	27.7
188.15071	3.1
189.12726	4.6
189.16376	14.6
191.14403	4.8
191.17967	6.7
195.11758	4.7
197.13229	4.8
199.11140	3.0
199.14926	9.5
199.16464	1.9
201.12714	8.0
201.16408	18.6
203.14310	15.0
203.17926	19.4
205.15860	14.4
207.11845	2.6
207.13841	7.6
209.13264	4.0
209.15271	3.4
211.14749	5.5
213.12872	2.7
213.16368	10.2
215.17819	10.4
217.19521	6.1
219.13771	4.8
219.17450	2.5
221.13419	2.7
221.15340	56.9
222.15753	2.8
223.14978	3.2
225.16277	4.0
227.17944	5.0
229.15970	5.8
229.19533	6.8
231.13939	4.4
231.20909	2.2
233.15376	4.1
234.16116	10.2
239.17938	4.3
241.19496	7.8
243.21072	4.0
253.19508	5.7
255.21111	11.2
257.22400	3.8
269.22736	6.8
283.24139	3.0
286.19171	2.5
287.19992	6.2
299.20123	2.6
300.20761	2.7
313.25122	2.8
329.20752	3.9
335.19794	3.1
349.28754	2.5
381.35101	2.3
391.26126	7.9
391.33606	15.7
409.27112	48.8
409.34570	82.5
410.27750	4.9
410.34909	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92415	0.2
61.19176	0.2
61.79734	0.2
67.05479	0.3
67.13994	0.2
69.58824	1.6
73.79510	0.2
75.86639	0.2
79.05495	0.4
81.03394	0.3
81.07056	0.3
83.35857	0.2
85.38669	0.2
91.05455	0.4
93.07043	0.4
95.04952	0.4
95.08601	0.4
97.02947	0.2
105.07026	0.5
107.01061	0.3
107.08627	0.3
108.62996	0.2
109.02852	0.3
112.48694	0.3
121.06522	0.3
123.04433	0.5
131.08537	0.3
134.28424	0.2
135.11697	0.3
145.10092	0.4
152.08046	0.3
155.04881	0.2
171.69392	0.3
173.13188	0.3
203.05389	0.3
215.92625	0.2
229.04909	1.2
230.02620	0.4
245.04488	0.3
247.13103	2.5
257.04471	3.8
258.05035	0.5
287.05576	0.9
409.09290	3.7
409.18301	100.0
410.09592	0.4
410.18710	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01852	2.6
55.05509	25.0
57.03434	3.8
57.07068	7.0
59.04990	4.2
65.03938	4.7
65.87606	2.2
67.05503	50.2
69.03405	7.1
69.07069	19.9
71.04950	2.3
71.51765	4.2
71.52130	1.9
77.03927	2.2
77.42924	1.9
79.05486	30.9
81.03410	3.8
81.06602	4.2
81.07053	63.5
83.04964	7.1
83.08601	11.1
85.06538	4.7
91.05476	40.8
93.07038	66.4
95.04961	41.3
95.08604	78.0
97.06524	13.1
97.10153	5.5
103.05444	2.7
105.04540	1.9
105.07025	100.0
107.08584	67.8
109.06537	18.1
109.10152	50.9
111.08050	5.9
116.62844	2.2
117.07001	18.4
119.04950	2.3
119.08578	88.0
121.06521	17.7
121.10137	41.6
123.08064	20.3
123.11700	11.5
125.09615	2.5
128.06204	6.9
129.07027	10.0
130.07745	3.5
131.08562	32.1
133.06474	5.6
133.10110	37.9
135.08060	16.9
135.11696	26.2
137.09587	7.7
137.13258	6.5
139.11177	3.3
141.07005	4.0
142.07788	11.5
143.08560	19.0
145.10114	55.7
146.10938	2.1
147.08029	15.4
147.11681	44.1
149.09616	12.0
149.13264	22.3
151.07539	32.6
151.11095	2.1
153.08994	1.9
155.08586	10.3
156.09332	6.3
157.10129	28.6
158.10628	2.5
159.08041	6.5
159.11685	30.4
161.09592	8.6
161.13223	14.6
163.11168	8.1
163.14807	23.4
165.09074	25.6
165.12729	2.9
167.08594	4.1
168.09288	5.2
169.10129	10.5
170.10780	4.3
171.11707	13.3
172.12515	2.2
173.09612	4.0
173.11774	5.0
173.13177	22.4
175.11147	15.6
175.14809	18.6
177.12633	2.9
177.16362	21.0
179.08434	3.5
179.10692	2.0
179.14273	2.3
181.10089	4.7
181.12256	3.6
183.11705	14.6
185.13274	8.8
185.30916	1.9
187.11157	5.9
187.14795	27.7
188.15071	3.1
189.12726	4.6
189.16376	14.6
191.14403	4.8
191.17967	6.7
195.11758	4.7
197.13229	4.8
199.11140	3.0
199.14926	9.5
199.16464	1.9
201.12714	8.0
201.16408	18.6
203.14310	15.0
203.17926	19.4
205.15860	14.4
207.11845	2.6
207.13841	7.6
209.13264	4.0
209.15271	3.4
211.14749	5.5
213.12872	2.7
213.16368	10.2
215.17819	10.4
217.19521	6.1
219.13771	4.8
219.17450	2.5
221.13419	2.7
221.15340	56.9
222.15753	2.8
223.14978	3.2
225.16277	4.0
227.17944	5.0
229.15970	5.8
229.19533	6.8
231.13939	4.4
231.20909	2.2
233.15376	4.1
234.16116	10.2
239.17938	4.3
241.19496	7.8
243.21072	4.0
253.19508	5.7
255.21111	11.2
257.22400	3.8
269.22736	6.8
283.24139	3.0
286.19171	2.5
287.19992	6.2
299.20123	2.6
300.20761	2.7
313.25122	2.8
329.20752	3.9
335.19794	3.1
349.28754	2.5
381.35101	2.3
391.26126	7.9
391.33606	15.7
409.27112	48.8
409.34570	82.5
410.27750	4.9
410.34909	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	409.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
66.18568	0.4
67.31001	0.4
71.25814	0.5
71.26152	0.4
75.79513	0.3
98.05789	0.3
113.60686	0.4
119.12141	0.4
185.10719	0.5
187.12482	0.5
197.10809	0.7
198.07913	1.0
199.08667	2.3
200.09467	0.8
201.10287	0.4
210.07933	0.7
211.08632	4.6
212.09404	1.4
213.06877	0.4
213.10182	2.9
215.08211	0.8
215.11778	1.9
216.08861	0.4
217.09677	1.7
223.12306	0.8
224.09364	0.4
225.06708	0.7
225.10201	4.4
226.07405	0.5
226.10844	0.5
227.08188	0.9
229.09683	2.2
231.11192	0.8
239.08162	7.0
239.11763	3.6
240.08949	2.6
241.09715	5.1
241.13429	0.6
242.10448	1.2
243.07622	1.3
243.11299	8.2
245.09370	0.4
247.11183	0.4
249.64972	0.4
252.08922	0.7
253.05864	0.4
253.09756	6.5
254.10536	0.9
257.09244	2.5
257.12918	0.9
258.09915	1.2
259.10788	3.2
267.07721	2.1
267.11310	4.7
268.08426	5.8
269.09232	1.3
269.12701	0.8
271.10767	21.4
272.11237	0.9
273.12350	1.6
275.10248	2.6
277.11807	3.2
279.11273	0.6
281.09259	1.3
282.10013	0.7
283.11038	0.4
285.08661	1.6
285.12317	4.3
289.11777	1.3
295.10828	4.1
297.12607	0.4
299.10519	0.4
299.13782	0.7
300.11188	1.1
303.09818	0.7
303.13315	0.8
313.11844	5.2
317.11337	1.8
318.11996	0.6
323.10306	6.0
327.13370	1.5
331.12900	0.9
335.12329	2.8
341.11285	11.5
342.11459	0.6
345.14423	2.1
347.16049	0.6
349.13852	1.1
355.12903	2.6
359.12393	1.5
363.15448	0.4
373.13965	10.6
377.13434	0.5
391.14993	19.2
392.15469	1.1
409.16049	100.0
410.16452	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
60.27641	1.2
62.52406	1.2
67.05523	3.4
69.03437	3.5
69.07071	1.6
70.06616	1.5
70.60627	1.3
70.60971	4.1
71.04995	2.5
73.02921	2.4
79.05499	2.1
80.62928	1.1
81.03426	1.6
81.07059	4.1
83.05002	3.5
83.08659	1.2
85.02928	4.2
85.06553	1.8
87.04490	1.2
90.03434	1.1
91.05491	2.9
93.07078	3.4
95.04976	3.1
95.08625	3.3
97.02902	2.1
97.06537	1.6
103.05460	2.0
105.07056	3.4
107.08629	2.3
109.02912	1.6
109.06506	1.6
109.10199	2.4
110.09721	2.0
119.08635	3.2
121.10199	4.3
123.04426	6.4
124.07575	2.7
127.50320	1.2
129.05492	2.3
131.04977	2.2
133.10168	1.6
135.11665	1.5
143.08273	2.1
145.10136	1.6
147.04477	3.3
147.11752	1.3
149.13306	1.6
151.03923	1.9
163.04007	2.1
168.06522	1.3
175.03928	2.8
177.05606	1.5
181.05003	1.5
185.04210	52.7
187.03801	5.9
198.07791	1.3
203.03514	3.2
205.16019	1.4
211.08818	2.7
215.03529	5.2
229.05064	2.5
231.03029	4.6
241.09789	1.7
243.07785	3.5
245.04390	2.6
247.05775	30.1
247.08057	2.0
253.09711	2.0
257.04489	8.7
258.05157	1.3
259.02490	4.8
267.11420	2.4
268.08368	1.4
271.06268	2.0
271.10779	6.8
277.03403	36.3
283.06210	1.7
285.08978	2.6
285.12460	1.9
287.05704	5.0
288.08398	1.7
289.08301	2.3
299.05698	1.7
303.09851	2.1
313.08353	3.1
313.11932	2.3
323.10251	1.4
331.09348	4.2
341.11624	2.4
349.10559	4.2
359.08948	1.5
365.12958	1.3
373.14093	1.8
391.14954	4.1
391.19272	1.7
409.11194	100.0
409.16537	21.1
410.11438	3.1
421.62708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01865	3.9
56.96563	23.2
57.03431	7.5
58.99862	4.5
61.02915	9.3
69.03431	31.8
70.06577	5.2
71.04995	3.2
71.49461	4.1
73.02930	9.7
74.46251	1.9
77.00886	4.1
81.03415	15.0
82.99864	3.7
83.04977	4.7
84.04433	2.1
84.08151	4.0
84.96013	4.5
85.02907	41.1
86.03219	2.2
86.99323	3.1
87.04495	3.6
88.99074	2.4
94.99872	3.1
95.02468	2.9
95.04929	2.5
97.02890	36.9
98.97585	41.3
99.04440	6.4
101.00878	29.1
102.00959	2.4
103.00642	5.1
103.02452	6.5
105.00387	4.9
109.02885	9.6
110.97580	9.0
111.04437	4.4
112.99106	11.1
113.00876	6.9
113.03489	13.8
115.02444	15.7
115.03915	3.0
116.07038	2.7
116.98610	25.3
117.02168	5.0
117.03997	5.5
119.01920	78.1
119.03716	4.1
120.02026	5.1
121.01683	19.7
121.03491	5.0
127.02415	8.6
127.03905	11.8
128.98615	15.2
129.03989	7.3
131.00200	22.6
131.01898	56.1
132.01952	4.1
133.01695	15.8
133.03458	43.5
134.03607	3.3
134.99614	12.3
135.02277	3.2
135.03180	13.7
135.05011	8.4
136.07561	2.2
137.02966	13.5
137.04700	5.1
139.02570	5.4
140.02293	3.3
142.03511	3.6
143.00117	5.3
143.01903	45.2
144.01933	2.0
144.99800	2.4
145.01749	10.1
145.03459	95.6
145.04898	5.9
145.99934	2.7
146.03549	4.0
146.99593	21.2
147.01381	4.2
147.03239	11.1
147.05063	17.0
149.01215	13.3
149.02878	11.4
151.02673	5.4
151.04527	5.5
153.01822	9.4
153.04218	2.7
154.03413	2.8
155.01881	53.1
156.02646	3.4
157.01648	12.5
157.03500	33.6
158.99666	9.4
159.01424	3.7
159.05049	26.4
161.01210	10.8
161.02953	80.9
161.04791	8.6
161.06580	4.2
162.03166	3.6
163.01457	2.4
163.02686	13.2
163.04543	25.0
165.00656	6.1
165.04274	3.7
165.06096	3.6
167.02052	9.6
168.03700	4.8
168.05061	3.7
168.99876	3.1
169.03328	17.0
169.04739	2.7
170.03577	2.5
170.99695	5.7
171.01389	9.6
171.05025	35.7
172.05214	6.1
173.01392	4.3
173.02957	73.5
173.04730	12.6
173.06596	12.2
174.03130	6.1
174.99068	4.7
175.02733	19.8
175.04489	23.4
175.06154	4.1
177.00807	15.2
177.02464	4.8
177.04338	12.9
177.05925	14.4
177.54153	2.2
178.04887	14.6
179.02196	10.1
179.03979	3.4
179.05846	6.1
181.03516	4.2
183.05093	10.4
183.06519	2.0
184.04625	2.4
185.01300	4.4
185.02937	29.9
185.04462	4.0
185.06593	7.8
186.03079	3.8
187.00864	6.6
187.02742	6.6
187.04474	33.5
188.04482	2.5
188.54970	3.5
189.00677	11.4
189.02167	11.7
189.04355	3.1
189.06058	25.2
189.55623	2.7
190.06151	3.2
191.00522	2.4
191.02234	7.6
191.03960	11.1
191.05829	11.2
191.07596	4.8
193.00256	4.9
193.03670	9.6
194.06726	2.7
195.01794	2.4
195.05183	5.0
196.04660	3.0
197.02982	11.8
199.00905	5.7
199.02919	2.4
199.04556	15.0
201.00648	4.6
201.02298	7.4
201.04283	3.2
201.06058	22.0
203.03993	35.1
203.05673	4.5
203.07719	7.6
205.03775	8.2
205.05644	8.8
207.01697	7.1
207.05298	2.6
211.04544	43.5
213.02354	9.0
213.06046	13.4
214.06136	3.7
215.00339	3.1
215.04063	10.6
215.05859	4.5
215.07668	5.2
217.00067	3.8
217.02010	11.5
217.03738	3.2
217.05650	6.7
219.01683	19.4
219.05298	3.9
219.07014	10.3
220.99840	2.7
221.03198	4.1
221.05066	69.6
221.06793	3.3
222.05263	10.0
223.01129	3.0
223.04770	31.6
223.06688	5.8
225.02596	7.5
225.05920	3.9
229.01740	3.1
229.05579	14.0
231.03056	31.0
231.07156	7.7
232.99606	4.4
233.03348	5.1
235.06636	5.3
237.02794	42.6
237.06291	2.9
239.03998	2.6
239.06258	4.6
241.01491	3.3
241.05649	5.2
242.03433	2.5
243.07100	9.1
244.06992	4.2
245.05006	33.3
247.02599	4.3
247.04655	4.0
247.06552	10.8
249.02530	3.5
251.04082	4.2
253.05544	4.1
255.03624	6.5
257.00735	5.9
257.04977	5.7
259.02460	38.2
259.06677	18.1
260.02567	3.6
261.08282	31.6
262.08551	2.8
263.05823	4.7
263.06644	3.9
263.08359	16.1
265.07867	10.9
271.06592	22.3
272.06787	3.0
273.04541	2.5
273.08047	2.5
275.01859	8.0
275.06070	6.9
275.09930	2.8
277.03424	100.0
277.07736	5.9
278.03729	15.0
279.03983	7.7
279.09259	43.4
280.09601	2.7
280.36984	2.2
281.05530	8.7
281.09128	28.5
283.06866	2.3
283.10486	2.1
285.00391	4.2
287.06317	2.2
289.04297	21.6
289.07452	4.3
291.04330	2.2
291.09207	16.8
293.05548	4.0
295.06976	3.0
297.04633	4.0
301.03915	6.4
302.11008	3.9
303.01373	60.6
303.09210	52.4
304.01648	7.0
304.09625	4.4
305.07144	15.3
305.10797	12.4
306.04739	5.5
306.55008	4.2
307.05374	32.0
307.08783	4.4
308.05917	2.0
308.94885	2.3
309.08493	7.2
315.05402	3.0
317.01816	4.5
317.07071	2.6
319.04617	9.2
319.08762	5.4
320.04742	7.6
321.10364	17.5
329.07050	4.4
330.06754	5.2
333.06503	6.5
333.10172	4.1
334.10617	2.7
335.02832	10.0
335.06512	4.5
335.11523	4.4
337.09387	7.3
347.08282	12.6
349.08328	20.1
353.07590	5.7
353.11490	4.2
355.09018	3.4
358.04361	3.0
367.10367	4.6
373.06052	16.6
391.07114	24.9
409.09128	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01875	4.6
56.96569	5.4
57.03419	5.4
58.99882	2.9
61.02911	3.9
62.57808	2.2
67.05495	2.6
69.03437	13.3
69.76123	14.5
70.06578	5.9
73.02902	3.8
77.00892	3.0
81.03433	6.4
82.99860	5.9
85.02908	21.3
87.04551	2.5
90.98878	2.4
94.99850	2.8
97.02902	10.8
98.97575	15.7
99.04494	2.7
101.00882	29.9
102.38728	2.4
103.81693	2.2
105.00389	2.7
113.00883	5.7
115.02454	9.2
116.98592	9.6
119.01921	81.5
119.04865	2.7
123.04445	30.3
127.02451	4.3
127.03916	12.7
128.98624	3.1
129.03955	3.9
131.01910	49.0
133.03465	41.4
133.83342	3.0
136.06078	2.4
137.02956	10.3
137.70659	2.4
139.03893	5.5
142.03523	2.7
143.01900	71.4
145.03456	42.2
145.05032	4.6
146.99701	3.4
147.01459	4.2
147.05133	3.6
149.02959	11.5
151.03816	4.0
153.01776	6.8
155.01900	35.6
157.03473	21.2
159.05043	7.3
161.02962	100.0
163.04691	5.8
168.99873	12.1
169.03462	11.8
171.01378	20.3
171.04996	6.7
173.01440	3.7
173.02959	76.5
174.03192	3.4
175.04515	11.5
177.05573	3.2
178.05025	2.5
183.01416	7.1
183.05113	3.5
184.04614	3.8
185.02966	25.4
187.00906	23.7
187.04523	16.7
189.02451	31.7
189.05994	7.5
191.03935	13.6
193.00139	5.2
193.05002	9.5
197.02988	11.3
199.00844	19.4
199.04573	6.0
201.00758	4.3
201.02431	16.1
201.05943	6.9
203.03929	20.7
205.03795	4.0
207.03502	6.7
211.00917	3.8
211.04524	10.3
213.02504	7.9
213.05728	3.5
215.00381	17.1
215.03903	11.6
215.55208	5.6
216.99864	4.4
217.01898	39.5
217.05328	2.9
219.01692	6.3
219.03503	12.1
219.05270	3.1
221.05066	18.2
223.04732	4.0
223.06706	2.8
225.02487	3.6
226.06314	2.5
227.04070	5.9
229.01955	8.6
229.05316	7.3
231.03522	38.9
232.03564	3.0
237.02823	6.5
238.57657	4.0
239.03960	5.3
243.03558	9.4
245.04829	23.6
247.03015	10.7
247.06544	4.8
249.04610	9.9
257.01678	2.5
257.04565	19.5
259.02951	20.9
259.06351	8.8
261.04492	3.0
261.08237	3.1
263.06055	10.4
271.03033	6.6
271.06104	10.3
275.02423	12.2
275.05869	2.6
276.02457	3.7
277.03845	5.1
277.07898	3.1
279.09341	3.8
281.05209	3.1
283.06128	7.0
287.05457	32.1
289.04056	82.2
289.07297	4.7
290.04303	3.4
291.06076	3.0
291.09042	13.5
299.05820	7.4
301.04019	33.9
303.09277	7.4
305.07181	6.0
307.05142	92.9
308.05283	3.4
309.10339	3.7
319.05057	33.3
319.08621	3.4
320.05310	3.0
321.06946	4.1
330.06729	10.6
333.06635	8.0
337.05862	3.3
337.09692	3.1
342.06918	3.9
349.06238	3.3
373.06381	4.5
377.05786	4.8
391.07123	4.6
391.11417	4.9
409.08911	66.7
410.09921	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
56.96562	6.1
57.03429	2.8
57.39582	2.5
59.74725	2.5
62.70334	2.5
65.30924	2.7
69.03424	6.4
71.50862	2.7
72.08138	3.3
81.03439	3.4
85.02905	16.2
91.05473	5.0
93.07029	5.9
97.02908	8.1
98.97595	5.2
103.05444	5.5
105.07057	4.0
107.04964	4.2
109.02904	2.6
111.04383	2.4
112.07626	2.4
116.98628	2.7
121.06501	14.3
123.04442	8.0
125.02278	3.4
127.03922	6.6
133.06445	2.7
135.04422	4.0
137.05992	7.5
147.04408	4.1
149.05962	26.0
151.27737	2.6
153.01836	3.2
158.99580	2.5
161.05995	5.4
163.07524	4.4
166.06273	4.7
167.05663	5.3
167.07043	83.1
181.08589	39.4
182.06300	3.0
185.10609	2.4
211.09657	100.0
237.02861	4.1
371.07751	3.0
408.15363	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	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01864	1.7
55.05503	0.8
55.83756	0.8
60.04517	1.1
67.23683	0.8
68.99789	1.4
69.03413	3.0
69.07069	1.0
70.06585	5.6
71.49842	0.9
71.50230	0.8
80.59602	0.8
81.03407	2.8
81.07030	1.3
84.04514	1.0
85.02901	6.4
91.05511	1.0
93.07057	1.1
95.04948	0.8
95.08567	1.0
96.04493	1.1
97.02871	2.7
98.97601	0.8
99.04472	1.1
105.07018	1.4
107.04951	1.5
107.08582	0.8
109.02837	1.9
112.07584	2.7
116.07091	1.1
119.04944	1.1
121.06527	1.3
123.04426	19.8
123.08060	1.0
124.05186	1.0
124.07579	2.5
126.47991	0.8
127.03882	1.5
133.06421	1.0
135.04413	0.9
139.03851	1.1
140.07034	1.5
145.04942	1.1
147.04390	3.6
149.05960	2.8
151.03876	3.1
152.04411	0.8
153.01830	1.5
161.05997	1.3
163.03873	3.1
167.07033	100.0
168.07411	1.4
175.03864	3.5
177.05470	2.8
181.08510	2.3
182.06337	7.6
187.03853	1.9
193.04976	5.5
193.08635	4.3
201.05457	2.1
203.03391	6.8
210.05794	2.4
211.09650	14.6
213.05371	1.5
215.03262	1.9
217.04965	1.9
228.06891	9.6
228.15913	1.0
229.05014	4.4
229.08727	1.1
229.10680	8.1
230.05621	1.3
234.98965	2.4
245.04462	11.6
246.04945	1.7
246.07863	4.2
246.16972	1.0
247.06052	1.0
257.04465	15.9
258.05161	2.5
259.05997	2.9
269.04556	1.2
271.05954	3.5
283.06030	3.4
287.05481	23.4
297.07339	1.0
299.05368	2.5
303.05444	1.4
391.07956	1.6
408.08115	1.7
408.12717	1.2
409.09161	33.6
409.15347	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16700	0.9
53.08169	1.0
57.03444	1.2
66.32459	0.9
68.22768	1.2
69.03412	1.7
69.69827	2.7
69.70258	3.6
70.06590	1.3
81.03423	1.0
83.78947	0.9
85.02895	3.7
93.07052	1.4
97.02876	2.3
112.07639	1.1
123.04451	2.1
127.03998	1.0
134.68909	1.0
137.05956	1.1
141.29041	0.9
141.39928	1.1
145.04945	2.5
149.05917	2.5
152.04715	2.2
166.07231	3.1
167.07034	100.0
168.07428	2.6
193.08572	3.4
211.09662	17.5
212.09944	1.2
218.02734	1.5
229.10695	9.3
246.02206	2.1
257.04352	2.0
287.05453	1.3
377.34787	1.2
408.07394	1.0
409.09238	2.5
417.10626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03947	1.5
54.50872	1.1
55.05511	13.7
57.07077	6.1
64.72533	0.9
65.03922	1.4
67.05501	21.3
69.07069	23.5
71.08642	2.2
79.05485	10.6
81.07056	52.8
83.08615	10.9
86.32913	1.1
87.68121	1.0
87.70757	0.9
91.05474	12.7
93.07043	27.7
95.04985	1.4
95.08604	86.3
96.08939	2.2
97.10176	7.3
98.20715	2.4
105.07029	27.3
107.08589	41.9
109.06501	1.8
109.10153	49.2
110.10464	1.3
110.92641	1.1
111.11732	3.4
113.00008	10.8
115.05401	1.3
116.18822	1.0
117.07038	3.6
119.08580	37.0
120.08958	1.0
121.10140	37.0
123.11702	25.6
129.07022	2.2
131.08565	11.4
133.10129	35.4
135.11678	26.4
137.13257	24.7
143.08580	5.0
144.09308	1.3
145.10127	17.9
147.11685	22.1
149.13264	21.2
151.14850	4.1
156.09177	1.0
157.10106	7.2
158.10887	2.0
159.11690	18.8
159.12889	1.6
161.13249	19.6
163.14839	16.1
165.16446	1.0
169.02609	12.2
169.10097	1.3
171.11682	8.4
172.12395	1.4
173.13287	17.2
175.14833	11.6
177.16373	14.5
178.16750	1.3
185.13310	4.4
187.14796	13.2
189.16389	18.6
191.17943	12.9
197.13255	2.3
199.14809	8.1
201.16382	16.4
203.17957	28.2
205.19563	4.4
211.14824	2.0
213.16397	5.8
215.17943	17.7
217.19508	13.6
219.21078	1.8
225.16328	1.5
227.17990	8.0
229.19498	11.4
229.29895	1.5
231.21121	4.4
241.19537	5.8
243.21077	7.0
245.22688	2.8
253.19484	1.6
255.21111	9.6
257.22635	14.2
259.24295	1.3
269.22650	14.9
270.22897	1.3
271.24243	4.0
278.59433	1.1
283.24249	5.4
285.25809	1.4
295.24478	1.1
297.25845	4.4
309.25830	2.1
311.27487	2.2
323.27402	2.9
337.29022	3.3
351.30496	1.9
365.32004	11.7
389.32001	1.2
407.36807	100.0
408.37335	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	407.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.5
57.07069	9.3
57.90658	3.4
67.05502	21.6
69.07071	49.7
69.20578	35.4
79.05483	13.5
81.07052	61.4
83.08626	11.8
89.06033	4.4
90.89665	3.1
91.05482	14.8
93.07034	29.9
95.08605	59.0
97.10194	6.5
98.21508	6.7
105.07022	29.5
107.08605	33.8
109.10157	45.4
111.11716	6.7
117.06993	6.3
119.08569	30.5
121.10148	25.5
123.11686	21.6
131.08568	12.6
133.10139	22.7
135.11690	19.5
137.13225	9.4
143.08563	7.2
145.10097	21.5
147.11662	27.3
149.13237	16.3
157.10129	10.5
159.11707	20.6
159.12871	3.0
159.26053	3.2
161.13237	15.6
163.14810	12.0
169.02562	3.7
171.11684	9.2
173.13268	17.4
175.14819	12.7
177.16411	7.8
185.13269	9.3
187.14813	18.4
189.16415	9.5
191.17950	6.0
197.13277	4.4
199.14801	10.2
201.16434	19.8
203.17937	14.2
213.16330	4.3
215.17990	9.4
217.19487	9.0
225.16379	3.9
227.17998	8.8
229.19627	6.7
231.21141	6.5
241.19429	3.8
243.21040	4.8
255.21207	5.0
257.22678	6.2
269.22546	5.0
283.24182	6.4
284.17331	3.1
309.25775	3.2
325.28772	4.2
351.30518	6.1
354.94528	3.5
365.31824	4.2
399.19064	3.0
407.36865	100.0
408.37085	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03933	1.3
55.05509	7.3
57.07071	3.1
57.76587	0.6
65.03926	0.9
67.05502	15.2
69.07064	20.4
71.49046	0.7
79.05482	7.0
81.07052	29.9
83.08612	7.4
91.05471	5.7
93.07037	15.7
95.04993	0.7
95.08602	58.3
96.08925	0.8
97.10170	4.7
104.16052	0.7
105.07024	21.7
107.08585	30.5
108.08897	0.8
108.73523	0.8
109.10152	42.5
110.10476	1.2
111.11707	5.3
115.01491	0.7
117.07011	1.6
119.08580	24.4
121.10131	26.9
123.10830	1.4
123.11698	15.5
123.12593	1.0
125.13299	0.9
129.06953	0.8
131.08559	7.3
133.10126	16.2
135.11673	16.4
137.13237	10.8
143.08574	2.3
144.09378	1.2
145.10127	10.8
147.11673	15.9
149.13255	10.8
151.14812	2.7
157.10130	4.1
158.10892	0.9
159.11687	14.3
160.12216	0.8
161.13239	16.1
163.14813	8.6
165.16457	1.6
168.29185	0.7
169.10063	1.2
171.11630	3.6
173.13258	8.6
175.14806	9.9
177.16370	10.4
179.17946	1.3
181.70615	0.7
183.11661	0.9
185.13274	3.6
187.14786	7.4
189.16368	18.8
190.16779	1.1
191.17940	15.5
197.13295	1.0
199.14824	2.4
201.16357	10.2
203.17934	13.7
205.19502	7.2
213.16339	4.1
215.17923	11.4
216.18298	0.9
217.19514	14.3
225.16428	0.8
227.17943	2.8
229.19484	6.7
231.20979	3.3
239.29842	0.7
241.19426	3.7
243.21069	8.7
245.22598	7.9
255.21021	5.7
256.21680	0.8
257.22614	4.6
259.24286	1.3
269.22623	7.4
271.24167	3.8
283.24155	4.1
285.25812	1.7
295.24210	1.3
297.25803	4.2
309.25864	1.4
311.27325	3.0
323.27377	1.8
337.28882	2.6
338.29633	0.9
351.30579	1.1
364.31128	1.3
365.32120	2.5
407.36703	100.0
408.37039	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	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.05511	10.2
56.96567	1.1
57.07064	3.9
65.03947	1.9
67.05502	23.6
69.07060	14.7
71.08627	1.1
77.03936	1.2
79.05489	18.8
81.07053	46.0
83.04982	7.4
83.08614	7.3
85.02931	1.1
91.05479	21.7
92.05843	1.2
93.07043	37.9
93.07636	1.8
95.04975	3.2
95.08605	77.0
96.08922	1.7
97.06537	2.3
97.10157	5.1
98.20811	3.0
98.97585	3.5
105.07031	57.5
107.08589	60.9
109.02790	1.2
109.06521	4.6
109.10152	39.8
111.08079	4.0
111.11703	1.6
115.05437	2.2
116.98614	1.8
117.07011	11.6
119.08577	65.6
121.06507	3.5
121.10141	45.6
122.10543	1.3
123.08057	3.3
123.11701	18.1
125.09627	4.4
128.06203	3.2
129.06998	7.8
130.07729	1.5
131.08563	34.3
133.10129	37.1
134.10481	1.4
135.08067	3.5
135.11696	18.7
137.09613	3.3
137.13261	3.6
142.07759	2.7
143.08551	27.0
144.09305	1.7
145.10112	59.0
146.10551	1.4
147.08051	2.5
147.11681	22.4
149.09630	2.9
149.13248	24.4
151.11169	5.0
151.14851	1.1
155.08533	5.8
156.09319	3.8
157.10126	19.6
158.10880	3.6
158.99669	1.8
159.11691	38.4
160.12047	1.3
161.09618	4.3
161.13261	16.0
163.11220	2.0
163.14828	15.8
165.16382	1.3
169.10092	7.6
170.10899	1.8
171.11696	16.4
172.12447	1.8
173.09506	1.6
173.13258	31.6
174.13756	1.8
175.11156	4.3
175.14827	24.4
175.16304	1.6
176.15234	1.2
177.00700	2.3
177.12769	1.7
177.16371	19.8
178.16661	1.1
181.10083	2.1
182.10867	1.8
182.15442	1.3
183.11726	7.2
184.78027	1.1
185.13263	19.8
187.11229	2.0
187.14810	66.1
188.15280	2.0
189.12755	2.6
189.16373	15.8
191.14307	7.9
191.17943	2.4
195.11685	2.3
196.12395	1.5
197.13203	7.0
199.14798	13.0
201.12700	2.2
201.16368	36.0
202.16982	1.1
203.14342	7.5
203.17955	11.8
205.15897	10.1
207.11855	1.2
207.17435	3.4
209.13303	3.3
211.14815	8.1
213.16362	27.4
214.17056	2.4
215.14571	1.6
215.17941	25.6
217.15883	3.8
217.19536	3.7
219.17485	1.5
223.14818	3.1
225.16345	5.5
227.17995	8.5
229.04895	1.3
229.15881	34.4
229.19347	5.6
231.17468	4.0
231.20935	1.3
233.18932	2.7
235.14662	1.2
237.16400	3.3
239.17950	5.3
241.19469	10.0
243.17453	4.3
243.21098	4.6
245.19183	1.9
251.17947	2.8
253.19434	3.3
255.21056	9.4
257.18918	3.1
267.21021	8.1
269.19159	1.6
269.22635	2.0
281.22723	2.6
283.20609	4.0
283.24219	4.8
293.22681	3.0
295.24301	1.4
311.23676	12.9
319.24179	2.4
337.25195	3.3
361.29028	1.3
371.13730	1.6
379.33600	4.4
389.32083	13.3
390.32275	1.4
407.33072	100.0
408.33328	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01831	0.9
55.05505	10.7
56.96548	1.4
57.07060	3.3
65.03933	1.1
67.05145	0.9
67.05500	16.5
69.03415	3.4
69.07068	14.9
70.90032	2.2
71.04977	1.2
75.46938	0.7
79.05488	15.9
81.03413	1.5
81.07049	39.8
81.88158	0.7
83.04988	6.5
83.08614	6.4
85.06525	1.1
91.05476	15.9
93.07038	32.7
95.04977	3.5
95.08601	55.6
97.06526	1.3
97.10159	3.2
98.97567	9.3
99.08070	1.3
103.05467	1.2
105.07022	44.5
107.08584	42.0
109.02832	1.0
109.06499	4.4
109.10151	32.0
111.08064	3.8
111.11736	1.0
115.05431	1.3
116.98611	5.1
117.06993	7.5
119.08572	52.4
120.08878	0.7
121.06499	2.3
121.10139	32.7
123.08093	4.1
123.11694	14.9
125.09621	8.1
128.06209	3.2
129.06984	6.4
130.07753	2.1
131.08556	28.3
131.09547	1.7
133.10126	31.5
134.99664	1.5
135.08026	2.1
135.10692	1.4
135.11685	15.5
137.09607	2.7
137.13251	3.3
141.06979	2.0
142.07764	2.5
143.08548	19.2
144.09300	2.3
145.10112	49.7
147.11679	20.5
149.13255	23.1
151.11174	2.5
155.08545	4.7
156.09349	3.3
157.10124	16.4
158.10767	2.3
158.99640	6.9
159.08032	0.9
159.11684	30.5
160.12416	0.9
161.09557	1.7
161.13264	12.2
163.11169	2.6
163.14809	20.4
167.08501	1.0
169.10123	6.0
170.10876	2.3
171.11670	14.8
172.12422	2.0
173.09628	1.5
173.13255	27.7
175.11166	2.4
175.14819	22.6
177.00720	6.2
177.12805	1.3
177.16385	18.6
181.10059	1.8
182.10905	1.1
183.11676	7.3
184.12456	1.5
185.13252	10.8
186.13760	0.9
187.14806	79.3
188.15138	1.5
189.12756	2.6
189.16367	24.2
191.14302	5.3
191.17886	3.8
195.11690	2.8
197.13187	4.5
199.11040	0.8
199.14827	15.2
201.12685	1.8
201.16364	25.0
203.14337	5.1
203.17938	14.2
205.15839	7.7
207.17303	1.7
209.13240	2.5
211.14786	4.9
213.16351	28.9
213.18390	1.7
214.17052	2.4
215.14296	2.6
215.17943	22.7
217.15897	7.6
217.19539	3.5
218.78635	0.9
219.01729	1.1
219.17429	1.8
223.14792	1.8
225.16403	5.1
227.17941	8.7
229.15851	6.4
229.19424	4.3
231.17406	4.9
231.21155	1.5
233.18927	4.4
235.14790	0.9
237.16333	3.7
239.17929	5.5
241.19487	10.0
241.21440	1.0
242.20273	1.2
243.17418	2.5
243.21091	6.3
245.19058	1.5
249.16220	0.8
251.17944	3.2
253.19513	3.5
255.21082	7.9
257.18954	2.0
259.20419	2.0
265.19507	3.0
267.21039	8.9
269.18951	2.0
269.22653	1.9
271.20749	0.8
277.19543	1.0
279.21198	2.0
281.22504	3.7
283.20566	6.2
283.24258	2.5
293.22650	1.7
295.24243	2.1
297.22232	1.4
297.25726	0.9
305.22589	1.3
307.24139	1.0
309.25763	1.0
311.23624	5.4
319.24051	1.6
323.23590	0.8
333.25644	1.8
337.25272	3.0
349.28842	1.7
354.18839	1.0
379.33728	2.4
389.31940	20.6
407.33063	100.0
408.33368	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05510	10.5
57.07063	4.3
57.19720	1.2
59.04979	1.7
65.03954	2.0
67.05501	23.5
69.07068	19.1
70.64262	3.8
79.05487	19.4
81.07054	40.6
83.04964	2.2
83.08620	12.0
86.37280	1.4
91.05468	23.0
93.07037	33.8
95.04963	3.2
95.08602	73.6
97.06516	2.7
97.10177	3.7
99.45845	1.3
105.06311	2.4
105.07026	52.3
107.08590	59.6
109.06519	4.0
109.10152	36.0
109.31119	1.2
111.08092	1.6
111.11736	1.6
117.07013	10.9
119.08574	72.1
121.06472	2.5
121.10134	51.9
123.08090	3.9
123.11686	17.2
125.09634	1.9
128.06236	3.0
128.57732	1.4
129.06985	5.4
130.07729	2.7
131.08559	28.4
133.10129	40.1
133.11119	2.9
135.08051	3.6
135.11684	14.5
137.09654	2.0
137.13263	5.9
137.49828	1.6
139.11209	1.3
142.07782	3.5
143.08568	11.6
144.09349	3.6
145.10118	70.2
147.11679	20.8
149.09566	2.2
149.13243	22.3
151.11218	2.1
155.08527	5.6
156.09312	4.1
157.10112	18.3
158.10909	4.0
159.08044	2.4
159.11678	32.3
161.09602	2.0
161.13268	13.8
163.11203	2.3
163.14812	19.5
165.12820	1.4
169.10115	5.9
170.10933	3.6
171.11681	12.1
172.12457	4.1
173.09596	1.9
173.13263	22.9
175.11215	2.0
175.14813	21.8
177.12767	3.2
177.16383	16.7
181.10150	2.5
183.11687	7.5
185.13251	14.8
187.14812	94.0
188.15253	1.7
189.16359	25.3
191.14352	4.2
191.17894	3.2
195.11749	3.4
197.13245	5.0
199.14772	8.3
201.16380	33.3
202.16808	1.5
203.14426	1.4
203.17957	13.0
205.15860	20.6
205.19370	2.7
207.17480	4.3
209.13240	2.6
211.14859	4.2
213.16309	11.8
214.16835	2.0
215.14293	11.0
215.17911	14.1
217.15878	4.4
217.19579	2.2
219.17484	2.3
223.14888	3.9
225.16373	4.4
227.17899	7.5
228.18657	1.4
229.15961	2.8
229.19485	4.4
231.17378	4.5
233.19003	4.1
234.29730	1.3
237.16296	3.3
239.17934	4.5
241.19589	7.6
243.17413	3.7
243.21063	4.2
251.18108	2.2
253.19542	4.9
255.21030	6.7
257.18997	1.6
267.21100	3.1
269.22586	4.4
271.20566	1.6
277.84103	1.3
279.21085	1.7
281.22540	1.6
283.20676	2.2
283.24173	3.4
285.22220	1.5
293.22644	2.8
311.23645	19.0
313.25351	1.8
333.25705	1.8
337.25253	5.2
347.27371	1.4
365.27982	1.7
379.33640	2.1
389.28546	1.3
389.32037	14.4
393.97925	1.4
407.33066	100.0
408.33368	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	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05507	9.9
57.07061	3.3
67.05503	16.7
69.03416	2.7
69.07063	13.5
71.51523	1.3
71.51899	1.3
79.05495	14.3
81.03399	1.6
81.07056	34.4
82.07375	1.3
83.04964	3.3
83.08614	6.6
85.06556	1.4
85.98808	1.1
86.33443	0.9
91.05473	14.9
93.06490	1.8
93.07044	26.3
95.04955	3.2
95.08603	50.5
97.06531	2.8
97.10152	4.2
97.86719	0.9
99.08079	1.0
103.05452	1.1
105.07027	40.5
107.04945	1.7
107.08589	43.9
109.06512	2.6
109.10151	30.2
111.08084	2.5
111.11710	1.1
117.07021	5.6
119.08582	53.9
120.08884	1.3
121.06516	2.9
121.10136	30.3
123.08060	4.7
123.11712	12.0
125.09592	3.2
128.06218	1.6
129.07022	4.8
130.07765	1.7
131.08568	17.9
133.10123	29.1
135.08084	5.2
135.11700	16.5
135.12720	1.4
137.09604	3.7
137.13246	3.1
141.06964	1.4
142.07771	3.0
143.08562	13.7
144.09319	3.7
145.10118	37.0
147.08051	1.5
147.11682	18.4
149.09596	3.8
149.13254	21.3
151.11238	2.9
155.08556	3.4
156.09323	3.2
157.10126	15.0
158.10855	2.8
159.11688	22.0
161.09613	2.8
161.13251	13.5
163.11208	3.8
163.14818	14.5
165.12759	2.0
167.08528	1.6
169.10109	6.5
170.10892	1.3
171.11667	11.4
172.12393	1.2
173.09744	1.0
173.13240	15.9
175.11192	3.6
175.14835	21.5
177.12724	8.1
177.16385	15.4
179.14369	1.2
181.10088	2.1
183.11665	7.0
185.13229	9.1
186.13820	1.0
187.11240	1.7
187.14812	52.4
188.15257	1.4
189.09132	1.0
189.12746	3.4
189.16371	17.3
191.14297	14.4
191.17981	3.0
195.11693	2.6
197.13283	5.0
199.14825	11.1
201.12723	2.6
201.16389	14.9
203.14345	4.4
203.17941	16.4
205.15852	4.4
207.11720	1.3
207.17447	1.2
209.13310	3.2
210.13904	1.5
211.14819	6.4
213.16357	18.2
215.14450	2.2
215.17938	13.1
217.15863	8.0
217.19510	4.0
219.17346	1.4
223.14793	3.8
225.16339	5.5
227.17876	7.4
228.26712	1.0
229.15903	4.3
229.19537	4.1
231.17453	8.0
231.21049	1.4
233.18996	7.9
237.16327	4.9
239.18040	6.3
241.19492	5.9
243.17369	1.9
243.21100	2.4
245.19029	3.5
249.16495	1.5
251.18019	2.6
253.19472	4.4
255.21024	5.9
257.19119	1.5
257.22565	1.2
259.20609	4.5
263.18011	2.0
265.19501	3.0
267.21082	4.1
269.18924	1.3
269.22559	1.4
271.20990	1.1
277.19446	1.9
279.21088	2.6
281.22742	1.9
283.20535	2.9
283.24057	2.4
291.21341	1.5
293.22751	5.1
295.24362	1.1
297.22189	1.0
305.22586	1.3
307.24292	1.5
311.23654	14.1
315.19540	3.3
315.22858	1.2
315.83582	1.2
319.24149	2.9
321.25784	1.5
333.25757	1.8
335.27307	1.7
337.25211	5.9
347.27399	1.4
349.28827	1.9
351.26932	1.3
379.33521	1.7
389.23694	2.2
389.32056	24.9
390.32193	2.0
407.33093	100.0
408.33490	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.05509	9.4
57.03424	1.0
57.07056	3.2
65.03945	1.2
67.05502	13.2
69.03413	3.4
69.07066	13.1
79.05491	11.4
81.07053	33.5
83.04976	4.7
83.08610	5.9
84.11697	0.8
85.06529	0.9
91.05476	11.7
93.07040	23.7
95.04957	3.4
95.08604	38.8
97.06509	1.6
97.10165	4.9
98.21512	2.6
99.08083	1.9
101.27098	0.8
103.05467	1.2
105.07026	39.1
105.62159	0.7
107.08591	40.9
109.06512	3.8
109.10148	28.9
111.08064	2.8
111.11710	1.0
115.05438	1.3
117.07012	7.2
119.08575	39.0
120.09058	0.9
121.06525	2.0
121.10134	32.1
122.10423	1.3
123.08045	3.3
123.11694	12.2
125.09630	8.8
128.06212	2.0
129.07002	7.0
130.07765	1.7
131.08563	26.2
133.10127	28.1
135.11687	13.0
137.09604	2.8
137.13211	2.1
139.11115	1.4
141.07045	1.2
142.07736	2.5
143.07512	1.4
143.08562	16.9
144.09329	1.6
145.10120	38.3
147.08121	0.8
147.11670	17.4
149.13257	18.9
151.11185	3.6
155.08583	3.8
156.09328	3.6
157.10127	13.8
158.10861	2.8
159.11682	23.9
161.09644	1.9
161.13243	9.7
163.11124	1.9
163.14816	16.7
169.10143	5.7
170.10895	1.7
171.11684	10.7
172.12401	2.1
173.13257	25.1
175.11214	2.0
175.14806	20.6
177.12801	1.1
177.16371	13.8
181.10100	1.7
183.11653	3.7
184.12451	1.6
185.13261	10.1
187.14815	71.2
188.15076	1.6
189.12746	1.4
189.16376	23.7
191.14304	7.2
191.17935	4.2
193.15849	1.5
195.11719	2.4
197.13272	5.1
199.14818	17.7
201.12912	1.0
201.16389	19.1
203.14316	2.2
203.17935	9.0
205.15903	3.0
205.19513	1.6
209.13272	2.3
211.14830	4.2
213.16368	37.1
214.16994	2.5
215.14381	2.1
215.17947	26.4
217.15883	10.5
217.19434	4.0
219.17514	1.3
223.14764	2.0
225.16457	5.6
226.54625	1.0
227.17944	9.2
229.15802	3.7
229.19484	4.8
231.17416	3.5
231.20918	1.4
233.18941	3.6
237.16345	2.7
239.17992	7.2
241.19469	11.2
242.20187	0.9
243.17389	2.1
243.21094	7.5
245.19005	1.6
251.18088	2.2
253.19522	6.4
255.21092	10.6
256.21912	0.9
257.18997	3.6
259.20602	1.6
265.19470	2.7
267.21066	13.5
267.94452	1.0
269.18970	1.9
269.22586	3.2
277.19537	1.5
279.21033	2.1
281.22565	4.4
283.20529	4.1
283.24030	1.7
283.83502	0.9
291.21033	1.2
293.22601	1.4
295.24359	1.2
297.22110	1.1
311.23520	1.0
319.24323	1.5
321.25772	1.3
333.25781	2.0
337.25214	1.6
347.27365	1.3
349.29138	1.8
363.30954	0.9
379.33676	1.0
381.69931	0.9
389.31995	21.8
407.33069	100.0
408.33566	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	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05504	10.0
56.96555	1.1
57.07056	2.6
65.03941	1.3
67.05181	1.3
67.05502	17.0
69.03416	0.9
69.07061	13.8
79.05485	13.3
81.07050	40.2
83.04960	5.9
83.08614	7.2
85.06542	1.5
91.05470	15.8
93.07037	34.6
95.04963	3.7
95.08599	55.5
97.10156	3.8
103.05428	1.2
105.07021	46.2
107.08579	46.1
108.08955	1.0
109.06509	2.4
109.10142	30.8
111.08060	2.1
111.11674	1.4
112.24941	0.8
115.05437	1.3
116.06194	1.0
117.06987	6.7
119.08572	56.0
121.06511	1.2
121.10136	42.5
123.08070	3.8
123.11697	16.1
125.09624	3.2
128.06155	4.1
129.06992	7.5
130.07800	1.7
131.08553	28.0
131.50934	0.8
133.10117	35.2
135.08005	2.1
135.11684	16.4
137.09619	2.6
137.13214	2.8
139.11191	1.6
141.06953	1.3
142.07779	2.4
143.08549	25.4
144.09325	2.7
145.10117	50.7
147.11674	15.8
149.09581	2.5
149.13248	16.4
151.11191	5.2
153.12698	1.0
155.08524	3.3
156.09340	2.7
157.10106	17.6
158.10930	3.9
159.11676	28.6
161.09590	1.1
161.13243	12.3
163.11142	2.0
163.14824	15.7
165.12718	1.6
168.09395	1.0
169.10109	6.5
170.10901	2.0
171.11688	14.4
172.12434	1.8
173.09761	1.2
173.13252	31.4
175.11191	1.7
175.14825	18.4
177.16356	10.2
181.10103	2.0
183.11662	8.6
184.12473	2.3
185.13245	14.9
186.14006	1.1
187.14803	68.7
188.15199	1.5
189.12758	1.5
189.16379	15.3
190.16777	0.8
191.14276	7.8
191.17928	2.7
193.15889	1.6
195.11678	2.4
196.12535	1.5
197.13232	7.1
199.14812	16.2
200.15192	1.1
201.12621	1.1
201.16362	24.6
203.14288	2.4
203.17943	8.7
205.15845	6.9
205.19501	1.3
207.11670	1.0
207.17427	3.8
209.13234	3.1
211.14828	5.7
213.16359	35.2
214.16986	2.4
215.14525	1.6
215.17928	26.0
217.15778	4.4
217.19569	3.7
219.17474	1.5
223.14845	3.2
225.16354	5.8
227.17929	9.3
229.15894	9.1
229.19385	4.9
231.17520	3.0
233.19040	4.2
235.14754	1.6
237.16364	2.6
239.17935	4.6
241.19495	11.4
243.17371	1.6
243.21129	7.1
245.19041	1.9
249.16388	1.2
251.17946	2.9
253.19559	5.0
255.21060	11.6
257.19000	3.1
263.17960	1.6
265.19528	2.0
267.21094	10.9
269.19272	1.2
269.22623	3.1
277.19440	1.1
279.20953	2.0
281.22549	4.2
283.20535	3.0
283.24155	2.6
293.22638	2.9
295.24234	1.1
296.31891	1.0
297.21973	1.1
305.22501	1.3
311.23685	9.8
315.19385	1.1
319.24130	2.6
337.25195	3.2
379.33545	3.7
389.31985	14.0
407.33041	100.0
408.33490	4.9
433.12103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03959	0.9
55.05507	9.0
57.07056	2.2
65.03946	0.6
66.41133	0.6
67.05503	13.6
68.54824	0.7
69.07062	15.0
69.16601	6.5
69.17014	1.5
71.08658	0.9
77.03946	0.8
79.05489	9.7
81.07051	31.7
83.04974	1.9
83.08604	5.5
91.05460	10.9
93.07038	21.8
95.04953	2.2
95.08601	34.8
97.06517	2.4
97.10149	2.6
105.07027	40.3
107.08587	32.5
108.08941	0.9
109.06522	3.6
109.10149	16.6
111.08039	1.6
115.05451	1.5
116.06207	0.8
117.06996	5.8
119.08575	35.3
121.06525	1.6
121.10133	25.3
123.08069	4.2
123.11688	11.0
125.09628	1.6
128.06186	1.9
129.06984	3.7
130.07779	1.2
131.08560	30.2
133.09123	1.1
133.10124	18.9
135.08038	0.9
135.11681	12.3
137.09589	2.3
137.13272	3.3
138.70992	0.8
139.11150	4.1
141.06915	1.3
142.07764	3.8
143.08559	14.7
144.09361	1.7
145.10110	49.1
147.11682	11.2
149.09615	3.5
149.13248	17.2
151.11174	4.8
151.14774	1.1
155.08554	3.2
156.09322	2.9
157.08807	0.8
157.10110	16.3
158.10880	3.2
159.11688	22.4
161.09596	1.0
161.12059	0.7
161.13292	11.8
163.11171	2.0
163.14813	20.0
165.12752	6.2
168.09361	1.2
169.10132	4.9
170.10896	3.5
171.11661	9.1
172.12411	2.8
173.13232	19.4
174.13647	0.8
175.11278	1.6
175.14813	25.3
177.12779	1.7
177.16377	18.9
179.14330	1.0
181.10092	2.1
182.10870	1.1
183.11639	7.6
184.12495	1.8
185.13240	17.2
187.14809	90.6
188.15103	2.0
189.16379	18.8
191.14323	2.0
191.17969	3.3
193.10081	0.8
193.15883	3.5
195.11673	2.9
196.12506	1.4
197.13243	4.9
198.13918	0.7
199.14781	10.1
201.12654	0.7
201.16368	13.8
203.14360	2.3
203.17902	4.5
205.15894	1.9
205.19505	1.1
207.11662	1.5
207.17448	1.4
209.13249	2.8
210.13895	0.7
211.14780	5.4
213.16376	18.8
215.14397	1.4
215.17929	18.6
217.15915	4.8
217.19450	1.6
219.17439	1.2
221.13210	1.6
223.14879	2.4
225.16399	4.6
227.17976	8.2
229.15836	3.3
229.19522	2.8
231.17438	4.6
231.21089	1.0
233.18976	8.9
235.14815	1.3
237.16353	2.1
239.17868	5.3
241.19501	4.9
243.17487	1.3
243.21060	3.0
245.19043	1.2
249.16435	1.0
251.17937	2.9
253.19536	2.8
255.21078	8.6
257.18997	2.0
259.20493	1.3
263.18018	1.3
265.19333	3.4
267.21027	2.4
269.22638	1.6
277.19467	1.0
279.21085	2.0
281.22614	2.4
283.20856	1.6
283.24142	1.0
291.21042	1.2
293.22614	2.2
295.24081	1.7
305.22626	2.8
307.24106	1.5
315.19693	0.8
319.24200	4.0
320.25040	1.1
321.25781	2.5
333.25748	2.7
335.27289	2.1
337.25320	1.6
347.27380	0.9
349.28903	2.1
361.28482	0.8
363.30533	0.9
374.30249	0.8
379.33881	1.7
389.32013	31.1
390.32407	2.1
407.33057	100.0
408.33252	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	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.70584	1.4
54.24203	1.4
55.05515	11.9
55.09811	1.4
56.96549	1.8
57.07061	5.5
65.03932	1.4
65.69438	1.4
67.05504	22.3
68.35234	1.8
69.07072	19.8
69.78631	1.4
71.04991	2.0
71.52924	1.7
79.05495	20.7
81.07048	45.0
83.08627	9.2
85.06545	2.0
91.05471	21.0
93.07035	38.0
95.04955	7.0
95.08603	73.6
96.08955	2.5
97.06509	2.6
97.10148	5.7
99.08084	1.5
105.07024	48.6
105.07704	3.2
107.04913	2.1
107.08588	61.5
109.06506	3.9
109.10148	39.0
111.08067	3.0
111.52097	1.4
117.07024	7.8
119.08575	76.4
121.06477	1.9
121.10138	50.0
123.08035	2.6
123.11694	13.8
125.09590	2.6
128.06241	2.7
129.07002	5.9
130.07785	2.7
131.08565	32.3
131.09525	2.0
131.83031	1.4
133.06473	1.6
133.10126	45.2
135.08052	4.6
135.11674	20.0
137.09599	3.4
137.13245	5.5
142.07791	2.9
143.08542	17.0
144.09323	3.1
145.10115	71.6
146.10458	1.9
147.11682	25.2
149.09627	1.9
149.13260	20.8
151.11183	4.4
155.08577	3.9
156.09357	2.9
156.42097	1.5
157.10103	18.8
158.10887	4.8
159.08083	4.5
159.11688	33.4
161.09669	3.4
161.13255	14.4
163.11151	4.0
163.14825	17.5
169.10144	5.7
170.10860	2.6
171.11679	13.0
172.12471	4.3
173.09633	1.7
173.13268	22.6
174.13896	1.5
175.11230	2.2
175.14810	21.8
177.12822	2.5
177.16382	19.2
183.11656	7.8
185.13237	14.8
187.14803	100.0
188.15175	2.4
189.09071	2.1
189.12651	2.0
189.16385	20.3
191.14246	4.1
191.17963	4.5
195.11716	2.1
197.13260	5.7
199.11122	1.6
199.14780	11.9
201.12706	3.4
201.16371	39.0
203.14310	4.0
203.17993	9.8
205.15875	22.7
205.19485	1.7
207.17459	6.9
209.13290	3.5
211.14824	5.2
213.16377	11.8
215.14339	13.6
215.17906	14.3
217.15875	5.9
217.19501	3.3
219.17633	1.6
220.36586	1.5
223.14810	4.3
225.16400	4.9
227.17961	7.3
229.15910	7.0
229.19496	4.5
231.17459	4.4
233.19003	6.4
237.16316	3.2
239.17947	6.4
241.19559	5.1
243.17461	4.8
243.21002	3.8
251.18005	3.8
253.19522	2.6
255.21086	6.3
257.18887	2.7
259.20593	2.0
265.19321	1.8
267.21011	4.9
269.22638	4.3
281.22665	2.9
283.20453	1.9
283.24060	2.4
293.22690	5.3
297.22180	2.4
311.23602	20.0
315.19528	4.0
319.23941	1.9
323.23737	1.8
333.25565	2.3
337.25241	4.7
347.27145	2.2
379.33832	2.1
389.31964	14.2
407.24405	2.7
407.33081	94.2
408.33380	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05278	0.7
55.05506	8.3
57.03433	1.2
57.07071	3.2
58.90770	0.7
59.04980	1.5
60.75714	0.6
61.43566	0.6
65.03922	1.0
67.05505	12.8
67.51604	0.6
67.84763	0.7
69.03420	1.4
69.06691	0.9
69.07063	18.4
69.89774	0.5
70.29515	2.2
70.29927	1.1
71.08616	0.6
77.03931	0.7
79.05489	11.7
81.07052	31.0
83.04974	1.7
83.08615	6.4
85.06535	0.7
90.33223	0.5
91.04912	0.8
91.05472	13.3
93.07040	25.6
95.04941	2.5
95.08599	37.6
96.08929	0.7
97.06508	1.7
97.10178	3.3
98.21095	1.1
99.08088	0.9
103.05443	1.0
105.07027	41.3
107.04928	0.6
107.08585	34.2
109.06510	3.8
109.10149	20.4
111.08049	2.2
115.05405	1.1
116.06218	1.2
117.06998	5.9
119.08572	34.9
121.06500	1.5
121.10138	23.9
123.08049	4.8
123.11691	13.3
125.09617	2.3
128.06241	1.9
129.06989	4.4
130.07753	2.3
131.08563	30.4
133.10127	23.2
135.08057	1.5
135.11678	12.6
137.09627	1.9
137.13289	2.9
139.11183	3.3
141.06978	1.0
142.07779	3.4
143.08560	16.7
144.09311	1.8
145.10114	48.4
146.10561	1.1
147.08067	1.4
147.11681	12.3
149.09598	3.3
149.13242	20.6
150.13591	1.0
151.11162	3.9
151.14804	1.3
155.08575	4.2
156.09325	3.0
157.10129	18.6
158.10867	3.0
159.08101	0.7
159.11687	23.0
161.09608	1.4
161.13245	12.4
163.11131	3.1
163.14816	17.9
165.12767	7.9
167.08542	1.0
169.10091	5.0
170.10899	3.5
171.11684	10.5
172.12473	2.8
173.13248	19.1
175.11162	1.7
175.14819	22.8
177.12721	1.8
177.16364	19.8
179.14282	2.2
181.10106	2.0
182.10959	0.8
183.11678	7.2
184.12431	1.3
185.13246	18.1
186.13936	0.7
187.14809	89.8
188.15211	2.6
189.12766	1.8
189.16377	17.8
191.14311	2.6
191.17989	4.0
193.10178	0.8
193.15875	3.5
195.11670	2.0
196.12526	0.9
197.13280	4.0
199.14816	10.8
201.16371	16.1
203.14325	2.3
203.17931	5.5
205.15872	2.9
205.19507	1.2
207.11678	1.7
207.17409	1.5
209.13272	2.9
211.14812	6.0
213.16344	18.9
214.16991	0.8
215.14468	1.4
215.17950	20.8
217.15862	5.4
217.19431	1.4
221.13177	1.1
222.13937	0.8
223.14818	2.1
225.16449	3.5
227.17943	8.5
229.15952	3.4
229.19423	3.0
231.17438	3.7
233.19000	8.4
235.14819	1.3
237.16389	2.7
239.17941	5.1
241.19542	5.3
241.44287	0.7
243.17471	0.7
243.21086	3.8
245.19005	1.2
249.16534	0.9
251.17986	3.0
253.19519	3.3
255.21053	7.4
257.19022	1.7
259.20508	1.6
263.17865	1.3
264.18839	1.0
265.19485	1.9
267.21085	2.3
269.22589	1.3
277.19641	1.7
279.21149	1.4
280.21954	1.1
281.22638	2.6
283.20612	2.2
285.22101	1.0
291.21024	1.7
293.22607	1.7
295.24194	1.1
297.22168	1.1
305.22592	3.0
307.24228	2.0
309.25754	0.9
311.23813	0.9
313.71298	0.7
315.19473	1.4
319.24228	3.6
320.25128	1.4
321.25772	2.4
323.27502	0.6
333.25833	2.6
335.27356	1.8
337.25256	1.5
349.28976	2.2
351.26706	0.9
359.27542	0.8
361.28723	0.9
363.30386	0.7
389.32001	32.2
390.32339	3.0
407.33060	100.0
408.33508	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	407.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84386	1.1
53.03942	1.8
55.05513	10.7
57.07072	16.6
61.36150	1.1
65.03939	2.0
67.05502	20.9
69.07066	45.5
71.08631	13.8
75.38430	1.1
76.34573	1.5
79.05486	10.7
81.07053	54.7
82.95950	1.1
83.08617	8.6
88.13182	1.2
91.05479	10.0
92.30161	1.1
93.07040	20.5
95.04958	1.5
95.08602	73.1
97.10170	4.3
98.20782	4.2
105.07030	24.2
107.08584	28.0
109.10147	30.6
111.11715	11.0
113.00021	7.6
113.13296	1.4
117.06998	4.7
119.08576	17.5
119.09370	1.6
121.02846	3.2
121.10137	20.7
123.11695	16.0
129.07001	2.9
129.12750	6.5
131.08548	15.2
133.10132	24.8
135.11691	16.4
137.13248	29.9
142.07765	1.5
143.08549	9.2
144.09276	1.5
145.10112	19.4
147.11684	15.6
149.02335	100.0
149.13239	14.8
150.02695	2.5
151.14810	2.9
157.10152	8.1
158.10974	1.5
159.11665	13.5
161.13258	11.7
163.14809	8.4
167.03400	10.8
169.02574	9.1
169.10101	1.7
170.10954	2.2
171.11681	8.9
173.13290	12.1
175.14810	10.4
177.16403	4.4
183.11708	2.8
185.13264	7.7
187.14790	14.7
189.16385	11.9
190.05023	2.3
191.17999	3.8
197.13319	1.7
199.14832	7.7
201.16377	14.8
203.17973	9.1
205.19522	2.8
211.14899	1.8
213.16356	9.5
215.17920	9.2
217.19540	5.9
227.17885	11.7
229.19539	7.2
229.21582	1.3
241.19614	3.0
243.21115	3.0
245.22649	1.4
255.21111	7.3
257.22668	5.7
269.22583	10.5
279.21304	1.5
283.24191	8.5
297.25793	2.3
332.25235	1.4
351.30539	2.9
389.31796	1.9
407.36893	71.4
408.37308	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	407.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01871	10.3
55.05512	16.3
57.03443	2.2
58.07019	1.8
59.05014	1.9
64.29683	2.1
65.03931	6.2
67.05495	7.0
67.79593	2.2
69.03432	14.9
69.07049	3.2
69.23734	15.1
69.24140	4.3
71.01364	4.6
71.04977	4.3
79.05494	18.0
81.03413	16.6
81.07050	6.8
82.04152	2.4
83.04977	75.2
85.02884	3.9
85.06540	2.3
85.92252	2.2
89.09919	2.0
91.05476	21.2
93.03403	3.3
93.07030	8.2
95.04989	10.1
95.08587	4.7
97.02857	2.6
97.06542	5.1
98.20833	6.3
98.21517	3.8
99.04452	5.9
103.05470	19.0
105.03358	4.7
105.07011	25.6
106.04163	2.3
107.04953	47.4
107.08580	4.8
108.05766	2.5
109.06509	7.9
109.10145	3.7
110.03684	2.5
115.05441	6.2
118.04175	5.4
119.04929	7.9
119.08626	2.4
120.05721	3.6
121.06492	9.5
121.10169	2.3
122.03617	3.2
123.04443	7.7
123.08076	4.4
125.06018	5.1
125.09641	2.8
127.03944	3.0
131.04926	8.6
133.02846	9.0
133.06488	28.3
133.10005	2.8
134.16461	2.7
135.04411	7.2
135.08047	14.8
137.02298	2.8
137.05957	34.2
137.09583	2.5
139.03870	2.2
139.07526	2.8
145.07579	4.3
147.04442	8.0
147.08102	2.0
147.09157	5.9
148.05167	4.7
149.05997	12.6
150.06737	13.0
151.03909	14.0
151.07501	12.3
153.05444	10.3
154.06247	3.0
155.07076	5.7
161.05983	17.8
161.09612	5.3
163.03915	3.2
163.07542	60.9
163.11142	2.9
165.05457	20.3
165.09093	14.0
166.06223	5.2
167.07033	18.5
168.07806	3.2
169.08565	2.3
173.07089	8.5
175.07484	4.2
175.08835	4.0
177.05507	7.3
178.04918	3.7
178.06282	4.1
179.07080	5.1
180.07779	13.3
181.04961	58.0
181.08582	29.1
181.12108	3.3
183.06564	4.8
188.03490	4.7
189.05467	6.0
189.09071	11.4
191.06445	4.1
191.08167	83.1
193.04979	12.8
193.08597	60.3
195.06577	2.5
196.06020	3.3
197.08052	4.0
207.06584	11.0
207.10201	7.2
208.07303	28.1
209.08063	3.5
211.09651	100.0
223.08699	3.8
225.07544	26.4
226.08382	22.6
227.08185	10.9
235.09630	2.8
237.10233	6.6
238.08665	5.5
239.11844	2.1
241.09637	6.5
245.09154	2.2
251.08113	4.0
252.06648	2.7
255.07709	5.8
255.11449	4.5
265.09714	7.8
266.08047	5.8
267.11472	2.9
268.09586	2.5
269.09177	19.1
272.09244	2.6
272.11978	2.6
273.08667	6.3
279.07626	8.3
283.10745	7.6
284.09119	5.6
285.12341	3.4
287.10419	3.1
289.11664	3.0
293.09100	10.8
297.08716	32.4
302.10324	3.9
307.12869	33.5
311.10278	5.2
312.08670	2.3
313.11673	2.9
314.10190	4.8
315.09668	12.5
321.08722	6.1
325.14066	57.3
329.11313	2.8
330.09711	5.1
333.10764	11.6
339.09677	23.7
339.13000	2.5
343.12653	5.3
349.68256	2.5
357.10544	10.5
358.09204	4.9
359.14948	3.1
371.12271	6.8
371.16452	2.6
375.11850	7.2
389.13220	43.9
390.11963	6.7
407.07944	2.4
407.13580	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	407.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05508	1.4
63.69731	1.3
65.03947	1.3
69.78964	9.2
81.07074	1.5
92.05031	1.7
94.06588	1.9
95.08572	2.0
97.92659	1.4
109.02895	1.4
109.10137	1.7
120.04467	7.4
121.10150	2.0
123.08054	1.9
138.05530	7.3
152.07065	4.0
154.05011	2.0
167.07053	3.5
178.04985	11.4
183.10179	2.0
188.03403	13.9
191.08122	2.8
193.46333	1.4
196.06026	7.5
198.09172	1.4
199.08652	2.8
206.04478	4.1
209.10847	1.4
210.09225	1.5
211.08696	2.3
213.10222	3.8
223.08685	6.9
224.09285	2.0
225.10178	2.4
227.08167	20.1
227.11745	1.5
229.09811	2.1
237.10222	14.7
238.08635	2.1
238.10863	1.8
239.11816	5.7
240.06473	1.5
241.09741	14.6
245.09212	4.7
250.08672	2.6
251.08138	16.7
254.08153	2.1
255.07623	11.8
255.11362	3.8
265.09695	20.7
266.08023	2.7
266.10519	3.0
267.11353	4.2
268.09619	4.7
269.09192	51.1
270.09708	2.1
273.08698	18.2
279.07639	27.8
280.08325	3.6
283.07678	1.7
283.10770	8.4
284.09140	4.1
285.12354	4.2
286.10684	1.9
287.10294	3.9
293.09167	25.2
295.10828	3.8
297.05307	3.3
297.08694	57.6
298.09088	3.5
311.10291	13.1
312.08600	2.8
313.11765	6.9
314.10126	3.2
315.09708	27.9
315.13031	1.1
316.10245	3.1
321.08752	15.9
321.93250	1.5
325.11691	9.8
329.11319	6.0
330.09692	2.6
333.10770	23.1
337.85559	1.8
339.09741	35.7
340.09988	2.3
343.12943	11.2
357.10873	15.6
358.09189	3.0
366.07767	1.5
371.12296	17.6
375.11975	5.6
384.77789	1.6
389.13403	100.0
390.12701	7.4
407.14459	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	407.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01875	1.5
57.03443	1.6
65.03943	1.6
67.05511	1.5
69.03428	4.7
69.07005	1.1
70.69911	3.2
73.79503	1.1
73.90336	1.2
78.03447	5.2
79.05512	1.5
80.05031	1.8
81.03421	8.9
81.07046	2.0
83.05003	1.5
85.02911	4.1
91.05486	1.4
93.07037	1.4
94.06557	1.2
95.04922	1.7
96.04500	2.2
97.02888	2.1
97.06449	1.1
99.04449	1.4
105.07004	1.4
106.02911	30.6
107.04945	1.3
109.02874	31.9
117.07047	1.2
119.08545	1.5
120.04472	4.4
121.02860	11.4
121.10049	1.2
122.03197	7.0
124.03947	63.1
125.04276	1.6
127.03902	5.5
129.06958	1.3
138.05464	5.8
141.05469	10.2
150.05453	1.8
152.07091	3.2
159.07947	1.2
161.05942	1.8
163.54951	1.2
178.05009	9.5
181.05029	6.3
188.03450	10.2
196.06021	7.0
199.08685	3.2
206.04497	2.1
209.10707	1.8
210.09181	1.7
211.08650	2.2
212.07100	1.3
212.09213	1.4
213.10280	3.8
223.08582	6.7
224.09399	2.1
225.10271	2.0
226.07011	1.7
227.08118	13.2
227.11684	2.5
229.09795	1.8
237.10185	10.6
239.11832	4.2
241.09695	13.4
243.11191	1.2
245.04593	1.5
245.09268	4.2
246.11185	1.6
250.07030	14.7
251.08255	12.5
251.10817	1.8
253.09589	2.3
255.07626	9.8
255.11320	3.8
265.09766	16.3
266.10446	3.1
267.11301	4.0
268.08044	27.2
269.09192	38.3
270.09564	1.5
271.10760	3.5
273.08685	14.0
279.07660	21.4
280.08395	2.6
283.10767	10.5
284.08923	1.4
285.12369	4.0
286.10590	1.3
287.10297	1.9
293.09189	22.9
295.10748	1.5
297.08685	53.3
298.09122	2.6
299.10229	2.6
301.11826	3.3
311.10214	9.2
313.11703	5.4
314.10107	1.5
315.09726	24.3
315.13223	1.0
317.11234	3.0
319.12820	2.2
321.08664	16.5
325.11862	10.7
327.13327	2.4
329.11292	6.2
330.09448	1.4
333.10760	21.7
334.11301	1.5
339.09750	37.3
340.10318	1.4
343.12909	9.7
345.10617	3.7
347.12387	2.4
357.10815	16.4
371.12433	21.5
372.13034	1.3
375.11896	5.1
389.13416	100.0
390.13727	7.4
394.59567	1.3
407.14413	23.8
408.12659	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
57.03418	3.7
59.04976	3.1
67.05500	3.0
69.03417	3.0
69.07072	6.5
70.63953	2.7
71.04977	1.3
73.02940	1.3
79.05492	25.6
81.03400	2.0
81.07056	38.2
83.08602	2.5
85.02907	7.5
85.06535	1.7
87.52014	1.0
90.16502	1.1
91.03904	1.0
91.05477	5.2
92.68932	1.3
93.07042	12.3
95.04931	1.5
95.08609	14.6
97.02912	2.7
97.06503	8.6
99.04452	1.4
105.07030	9.7
107.08591	100.0
108.08930	1.8
109.02869	1.7
109.06539	5.5
109.10141	4.1
115.07543	2.8
119.08612	5.7
121.02716	1.4
121.09366	0.8
121.10145	24.2
123.08064	3.3
125.09623	4.9
127.03933	1.7
128.58749	1.0
131.08521	2.7
131.26477	1.1
131.91835	1.5
133.10124	3.8
135.08066	1.7
135.11682	8.7
145.10101	2.1
147.11716	2.4
149.13264	3.4
161.13246	11.6
163.14828	11.1
173.13260	5.0
175.14801	4.6
177.12697	2.5
179.14305	81.1
190.94116	1.0
191.14302	33.2
193.15846	11.0
209.13504	2.2
209.15379	31.9
233.15419	2.1
296.14621	1.1
317.17398	2.0
335.18460	2.6
353.19568	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
54.52399	2.7
55.05497	12.1
57.03421	6.2
67.05495	12.0
68.05033	5.2
69.03433	18.8
69.07075	18.5
70.70846	7.4
71.04996	16.4
79.05495	27.3
81.03407	10.4
81.07050	40.9
83.04964	7.9
83.08632	6.0
85.02902	29.8
85.06510	8.9
91.05473	16.3
93.07030	29.2
94.06570	3.9
95.04971	11.1
95.06094	28.8
95.08600	34.1
97.02879	8.2
97.06533	9.7
99.04450	52.4
101.06020	9.5
103.05489	3.9
105.07020	31.0
107.04946	7.2
107.07883	6.0
107.08591	100.0
109.02916	4.6
109.06515	15.3
109.10143	18.4
111.08054	4.3
117.07015	4.6
119.08590	18.0
121.06490	4.1
121.10145	47.5
123.04469	4.0
123.08054	7.2
123.11673	7.8
124.03902	4.0
125.09592	4.8
127.03927	6.3
131.08559	13.6
133.10109	21.9
135.08052	11.0
135.11681	15.2
137.05998	6.6
139.11195	3.7
145.10081	9.2
147.04431	3.6
147.11693	12.7
149.09581	6.5
149.13269	8.9
151.03909	3.4
151.11227	3.8
158.05779	3.1
159.11668	5.2
161.13237	32.5
163.11206	6.5
163.14763	16.7
165.12747	10.4
167.07056	7.0
173.13258	26.8
179.14308	62.9
181.04971	10.7
182.05264	4.4
188.11832	19.0
191.10709	5.7
191.12663	6.1
191.14287	57.6
192.14586	4.1
197.15384	21.1
209.15369	74.5
227.16431	11.0
266.06055	4.2
280.09686	4.0
334.11938	4.0
344.13858	6.3
353.16110	3.6
362.14990	25.8
375.64072	3.7
396.29572	3.5
406.14102	11.8
407.07626	4.0
407.13666	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	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91924	0.8
55.01867	0.9
56.93558	0.9
57.03428	1.1
60.04531	0.9
67.05486	1.3
69.03410	2.3
70.06583	6.8
71.50863	1.2
79.05485	1.6
81.03392	2.0
81.07051	2.4
83.04963	1.7
84.08118	1.0
85.02903	3.5
85.93490	0.7
86.09704	1.0
91.05449	2.0
93.07014	2.5
95.08598	1.8
97.02876	2.3
105.06989	2.1
106.04199	1.1
107.04955	4.0
107.08597	2.9
109.02866	2.3
109.06534	1.5
109.10158	1.6
112.07594	2.7
117.06964	1.8
119.08570	0.9
121.06489	1.6
121.10122	2.1
123.04444	1.3
123.08018	1.1
124.05195	1.1
127.03918	2.4
131.08545	0.9
133.10077	1.3
135.08006	0.8
135.11679	0.9
139.11186	1.2
140.07085	1.8
144.61310	1.1
145.06497	1.2
147.11729	1.2
149.06015	0.8
149.09621	1.7
149.13277	1.6
151.11113	1.0
152.04704	1.6
158.08139	0.9
163.14757	0.8
167.07030	100.0
168.07391	2.3
173.13330	0.9
177.05513	4.7
177.09082	7.0
179.14305	1.1
181.08650	1.5
191.14317	3.0
209.08130	15.7
209.11693	14.5
209.15253	2.0
222.08250	0.9
227.09071	2.9
227.12805	7.7
297.08603	1.7
329.11328	1.2
353.12241	4.4
371.12442	0.9
389.13239	2.3
405.97934	0.8
407.08554	0.8
407.14212	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	405.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01865	2.6
55.05490	1.8
64.25777	1.2
65.03937	9.1
67.05511	6.2
69.03416	3.9
69.07056	3.4
69.33150	8.8
69.33566	2.8
79.05485	8.6
81.03429	5.6
81.07039	5.4
82.04202	2.8
83.04966	1.7
85.02905	6.2
85.06544	1.4
91.05479	7.5
93.03393	2.8
93.07034	4.8
94.04152	1.5
95.04986	5.9
95.08620	1.4
97.06528	3.4
103.05451	4.0
105.07028	4.2
107.04953	16.1
107.08575	1.6
109.06534	1.6
109.10138	2.1
109.57364	1.2
110.03676	3.3
111.04441	3.3
115.05447	6.5
117.07002	4.0
119.04916	1.9
119.08568	3.9
121.06497	1.9
121.10153	2.3
122.03625	4.3
123.04419	3.5
123.11745	1.3
124.05171	3.4
125.05990	5.1
127.03931	3.6
128.06197	3.8
129.07001	8.2
131.04906	3.8
131.08536	2.8
132.05676	1.4
133.06487	3.1
133.10143	2.5
135.04446	2.2
137.05971	42.0
138.03130	2.3
139.07564	2.4
142.02597	3.7
143.04926	4.2
144.05705	2.0
145.06483	7.3
145.10130	2.5
147.04366	4.3
147.08043	2.4
149.05969	3.7
151.03903	18.3
151.05026	2.3
151.07533	2.5
153.05463	4.0
157.06464	10.0
159.07983	1.2
160.05206	3.8
161.05997	6.3
161.09552	2.1
163.03897	1.7
163.07561	2.6
165.05460	2.0
167.07040	43.4
167.08464	2.8
171.04417	5.6
171.06532	4.0
171.11656	1.5
172.05223	7.5
173.06000	4.2
174.06717	2.3
175.03905	1.6
175.07549	3.8
177.05460	4.4
179.07030	2.2
181.04955	100.0
182.05319	2.1
183.06483	1.3
187.07573	3.6
188.04646	2.0
189.05441	2.1
189.09155	6.7
191.06999	3.3
192.07835	2.3
193.04996	1.9
193.08702	2.3
195.06522	4.1
200.04619	4.0
201.05484	2.3
203.07011	11.9
205.08612	4.6
209.05971	1.6
214.65916	1.2
218.05763	3.7
219.08221	2.1
219.10162	1.8
221.08011	8.5
223.07578	1.3
225.07495	1.6
233.08081	48.7
248.08380	2.0
249.08965	1.7
251.09155	3.1
263.09122	8.3
265.08621	1.8
266.09482	1.4
274.10208	1.1
277.08432	4.1
293.08084	2.4
294.08783	1.5
297.11160	2.7
301.06854	1.3
309.11121	3.3
319.09952	1.2
325.10678	2.2
337.10675	3.3
342.10583	2.6
349.09070	1.3
351.12408	2.9
357.13242	11.2
369.13089	5.7
377.08224	1.5
387.14365	25.0
405.07617	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	405.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29701	1.0
51.89125	1.0
55.01871	2.3
55.05509	1.6
57.03417	2.1
58.30376	1.2
61.02905	2.8
65.03926	3.6
67.05481	1.8
69.03398	1.8
69.62481	1.1
70.06400	6.3
73.77043	1.0
79.05479	5.7
81.03388	2.6
81.07059	2.9
83.04972	2.1
85.02880	5.4
86.63342	1.2
91.05477	91.0
95.04948	3.6
95.08575	4.2
97.02905	7.4
98.21391	1.6
103.05452	3.7
105.03406	1.6
105.07030	100.0
106.07333	1.4
107.04954	2.5
107.08595	2.0
109.02851	3.8
109.10132	2.2
111.04402	1.7
115.05457	24.7
117.07013	5.8
119.04928	2.5
119.08571	2.2
121.02831	2.9
121.06484	2.0
121.10091	1.3
123.04443	1.6
124.68927	1.1
125.02303	2.3
128.06171	2.3
129.06987	5.4
131.04933	1.8
131.08511	2.1
133.06496	10.8
133.10135	1.6
135.04407	2.0
135.08037	1.7
137.05983	7.3
139.03903	8.6
143.08569	2.1
145.06448	2.2
145.10110	2.7
147.04362	2.9
147.11682	1.2
151.03900	4.1
151.07539	1.7
153.05450	7.9
153.06883	2.9
157.06441	1.9
157.10092	2.1
159.11658	1.5
161.06017	2.4
163.03888	6.5
163.07437	1.7
164.92888	1.2
165.05472	12.2
165.07021	4.5
167.07135	1.3
167.08543	6.0
177.05400	8.0
178.07745	3.7
179.03378	3.4
179.07051	1.8
179.08528	10.2
180.09187	1.5
181.04930	2.6
181.06468	3.2
183.06512	4.9
183.08032	1.8
185.13344	1.5
189.05450	3.0
189.06984	2.0
190.07756	2.1
191.07083	7.4
191.08334	6.3
193.06462	1.8
195.08089	1.7
196.08824	1.8
199.14815	1.1
202.07787	2.4
205.04921	2.2
207.06456	2.8
207.08069	9.2
208.08784	2.7
209.09650	2.9
211.07561	1.3
213.09125	5.0
217.04898	2.3
219.06415	15.2
219.08044	2.4
220.08614	1.3
221.09596	2.2
223.07434	1.4
223.11197	2.2
224.08296	3.4
225.09100	2.0
233.09721	2.8
235.07599	9.3
237.07507	3.9
239.10469	2.0
243.45491	1.2
247.07524	3.7
248.08333	2.6
249.09325	1.6
251.06944	2.2
251.10706	5.6
252.07790	5.4
253.08434	2.5
255.10188	3.7
261.09048	2.3
267.10153	70.1
268.10397	2.1
273.08728	1.4
273.11349	10.8
279.10135	11.5
285.11197	73.2
286.11664	1.9
289.08649	2.0
290.09518	1.7
293.11755	1.9
297.11215	38.6
305.11703	6.3
311.12784	1.5
313.10654	6.1
313.28180	1.5
315.12262	40.3
321.11273	6.6
323.12677	14.1
333.11221	8.0
339.12268	32.3
351.12231	26.9
352.12595	2.2
357.13156	5.4
369.13336	44.9
387.14383	17.2
405.15808	2.2
405.31259	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	405.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01859	1.3
65.03941	8.1
67.05496	5.4
69.03436	4.5
69.82288	3.9
75.20531	0.7
77.03928	0.9
79.05508	8.8
81.03408	5.8
81.07032	2.5
82.04177	2.8
85.02910	6.6
85.06487	1.0
86.09696	0.9
91.05470	4.2
93.03382	1.5
93.07014	1.8
94.04175	1.3
95.04961	4.5
95.08596	1.6
97.02885	1.6
97.06530	1.8
98.21343	2.3
99.04449	1.2
105.07021	1.3
106.02901	2.4
107.04948	17.1
107.08611	1.4
108.02091	1.4
109.02860	1.3
109.06497	2.4
110.03661	3.9
111.04450	2.2
115.05468	5.9
117.07019	3.6
119.04994	0.9
120.02038	1.1
121.06472	2.0
122.03645	3.0
123.04405	3.1
124.03917	5.0
124.05183	2.5
125.05976	3.9
127.03916	2.3
128.06201	2.6
129.07004	8.0
131.04913	2.5
131.08528	1.1
133.06479	2.7
135.08057	1.0
137.05971	37.0
138.03067	1.5
140.04688	1.0
140.65680	0.9
141.05432	1.0
142.02628	2.8
143.04919	4.6
144.05669	2.2
145.06467	6.3
145.10185	1.4
147.04436	1.3
147.08063	2.1
149.05962	1.8
151.03906	17.8
151.04990	2.0
151.07506	1.1
152.04666	1.6
153.05424	3.4
155.04828	1.0
155.05974	1.1
157.06491	9.0
159.08054	1.4
160.05164	3.4
161.05988	6.3
161.09601	1.1
163.07532	1.2
165.05475	1.7
167.07030	37.3
171.04373	5.9
171.06529	7.1
172.05173	7.5
173.05975	3.1
174.06728	2.8
175.07552	7.3
177.05470	1.1
181.04950	100.0
181.12166	1.1
182.05357	0.9
183.06599	1.3
183.10239	0.8
183.95154	0.9
187.07533	5.7
188.04686	2.0
189.05426	3.6
189.07265	1.3
189.09071	9.3
190.06183	1.4
191.07021	5.6
193.08533	1.3
195.06497	3.9
200.04721	3.2
201.05399	2.2
203.07027	13.6
205.08492	4.1
206.05769	1.3
207.10182	2.0
215.06932	1.6
218.05692	7.7
219.08163	1.2
221.07976	6.7
225.14838	1.1
231.08040	1.0
233.08073	51.4
234.08556	1.2
235.09634	1.9
237.09030	1.3
243.15956	1.2
245.08057	3.2
249.09045	1.7
251.06871	1.3
251.09175	4.2
263.09119	9.4
265.08704	1.7
277.08563	4.1
279.06430	1.2
291.09970	1.3
293.08136	2.1
294.08612	1.1
295.09445	1.4
297.11108	2.1
301.07101	2.0
305.08063	1.0
307.09561	1.2
309.11261	3.6
316.09421	1.5
325.10614	3.3
326.11365	1.0
327.12161	1.6
337.10687	4.6
338.11310	0.9
341.13898	2.2
342.10852	1.3
351.12213	2.5
354.10599	1.0
357.13242	11.2
369.13486	5.3
375.14435	1.5
387.14371	32.7
388.14597	1.3
403.11462	0.9
406.14935	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	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84608	4.9
55.05501	6.3
69.07023	6.0
71.04980	5.5
71.52237	10.1
79.05489	14.7
81.07043	11.8
83.04977	10.7
85.02889	24.1
91.05497	9.6
93.07031	13.0
95.08606	10.5
97.02907	5.4
97.06499	6.6
105.07017	11.5
107.04961	9.0
107.08596	15.6
109.06502	16.8
109.10155	5.7
119.04951	5.4
119.08589	12.7
121.10149	18.4
123.04456	8.6
123.08064	6.0
123.11702	16.8
125.09658	6.2
137.05960	9.8
137.09599	28.5
147.07971	6.3
147.11638	9.6
147.42181	5.3
149.09592	9.0
150.69438	6.5
151.07451	6.1
161.05959	7.7
161.13197	6.5
163.11191	14.4
165.12746	100.0
167.07028	13.9
179.06961	8.6
179.14297	8.6
181.04956	12.1
189.12744	17.3
207.13765	42.0
218.08109	5.4
327.09549	8.5
345.10864	8.0
373.09946	11.8
404.13470	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	405.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01876	4.2
55.05507	1.6
57.03430	10.8
59.05002	1.0
61.02921	5.8
63.92437	0.8
65.03948	1.1
67.05510	1.1
68.99801	1.0
69.03426	22.1
69.07081	1.2
70.06592	2.2
71.01363	1.1
71.04996	2.7
71.49832	1.2
71.50254	1.0
73.02912	5.2
75.04469	1.0
77.73711	0.8
79.05503	1.4
81.03413	14.0
81.07054	1.8
83.04995	2.5
85.02902	58.1
85.06551	2.3
86.09717	1.0
87.04465	2.4
91.03946	2.1
91.05490	1.5
93.07045	2.0
95.04973	2.6
96.04498	1.0
97.02894	22.5
99.04441	5.8
103.03945	1.7
105.07039	1.0
106.02904	4.2
107.03269	1.2
107.04964	2.4
109.02876	22.8
111.00789	4.0
111.04458	1.1
115.03931	2.0
117.05490	2.4
121.06461	1.3
123.04454	2.9
124.03943	8.0
125.02332	1.2
125.04258	4.0
125.05933	1.0
126.03128	12.0
126.03983	1.1
127.03915	22.2
128.04259	0.9
129.05562	0.9
130.06543	1.1
133.04987	1.8
133.06436	1.1
137.05980	1.2
139.03941	1.1
141.05457	41.1
143.03404	1.6
144.08141	2.5
145.04953	22.7
147.04469	1.1
151.03815	1.2
153.01828	5.2
155.03403	1.4
155.07066	1.1
158.06030	2.1
159.06680	1.0
160.07594	1.1
163.03946	1.4
163.06050	2.3
165.05452	1.2
167.07037	1.2
169.04959	100.0
170.05472	1.2
183.06570	1.1
187.05899	1.0
207.06546	1.2
211.06010	3.1
213.14847	1.4
243.08606	1.6
243.11134	1.7
244.09744	4.0
268.08173	1.3
269.08548	3.6
348.90552	0.8
373.12866	1.2
385.77579	0.8
405.17914	6.9
418.78275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88419	4.1
58.76262	4.8
66.22025	3.8
69.07061	4.5
69.63727	22.0
79.05504	5.7
81.07055	7.0
83.04996	6.4
85.02905	26.4
90.41042	4.0
91.05483	4.7
93.07051	12.1
95.04961	7.6
95.08640	5.7
97.06532	4.9
98.21497	9.0
105.07048	12.9
107.08614	9.7
109.06546	14.9
109.10148	4.8
111.05026	4.7
111.08100	7.4
113.09112	3.8
119.08621	10.5
121.10144	17.5
123.08107	7.5
123.11732	19.0
123.36855	5.2
127.03893	6.4
131.08574	5.4
133.10191	6.7
137.06004	5.5
137.09615	24.5
146.86856	4.4
147.11710	14.6
149.09689	7.9
161.13258	6.3
163.11221	13.7
165.12740	100.0
167.07124	8.7
168.20486	4.3
179.14253	6.5
181.04973	9.9
181.12329	5.4
189.12775	16.2
207.13832	42.7
244.03490	4.4
299.10397	5.0
327.09558	6.1
345.10797	17.1
373.10196	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	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73071	1.7
55.05510	2.7
67.05497	4.2
69.03429	5.8
69.07053	2.5
69.63523	10.9
69.63939	4.0
71.04979	3.5
73.77205	2.3
79.05486	5.0
81.03421	3.2
81.07051	6.8
83.04996	3.7
85.02886	8.9
85.06529	10.4
91.05474	15.7
93.07043	6.9
95.04997	3.6
95.08600	7.0
97.02876	2.4
97.06564	2.4
99.72030	1.8
105.07026	47.4
107.08584	7.2
109.02875	3.3
109.06506	14.1
109.10136	2.9
117.07027	4.1
119.07710	2.7
119.08578	56.2
121.10133	18.3
123.04458	1.8
123.08040	11.5
123.11687	5.8
123.76641	1.9
125.06019	4.6
125.09610	2.7
127.03905	3.1
129.06978	2.5
130.07770	2.3
131.08568	7.3
133.06519	3.7
137.09608	8.0
143.08543	2.6
143.10565	2.9
145.10114	11.7
147.11687	73.4
149.09605	14.8
151.07545	3.0
161.13216	2.7
163.11131	4.0
165.12744	4.0
167.07057	14.1
167.10658	4.4
168.07315	4.3
171.11656	5.4
174.10434	2.7
181.04922	4.0
189.12738	57.8
207.13788	100.0
225.14905	5.0
241.15422	1.9
244.47333	2.0
378.71658	1.9
404.14337	3.1
405.15857	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01857	1.8
57.03432	1.1
59.04980	2.3
61.02908	1.0
65.03921	1.5
67.05501	1.9
68.67524	1.1
69.03415	6.1
69.07053	1.0
70.06598	6.7
71.04986	1.0
71.21999	1.8
79.05482	2.1
81.03423	5.7
81.07059	2.4
83.04961	1.6
85.02898	10.7
87.00816	1.1
87.04482	1.3
89.03920	1.2
91.05472	18.7
93.07040	2.5
94.06576	1.8
95.04960	3.2
95.08595	3.0
97.02888	4.2
99.04439	2.0
103.05491	1.1
105.01852	1.5
105.07047	3.1
107.08581	4.1
109.02880	4.6
109.06528	1.8
109.10153	1.1
110.06003	1.7
115.57629	1.1
115.73904	1.1
118.04218	1.2
118.60957	1.1
119.04121	1.9
119.04935	22.7
119.05782	1.2
119.08556	4.1
121.06568	1.5
121.10104	1.3
123.04414	3.3
123.08095	6.0
123.08842	1.0
123.11691	1.0
124.03939	4.4
124.07593	2.8
127.03891	3.9
129.06952	1.1
131.08630	1.2
132.02153	1.7
133.06404	1.4
135.04420	3.2
135.08061	1.3
137.02332	18.6
137.05965	3.9
143.04927	1.3
145.04933	1.8
147.04399	23.0
147.07986	2.8
147.11681	3.1
149.02313	2.4
149.05954	2.2
149.09595	1.3
153.05400	2.0
157.03931	1.8
163.03880	6.2
163.11223	1.1
164.04457	1.7
167.07034	3.1
171.11719	1.9
175.03902	40.0
175.07460	2.3
175.45390	1.0
177.05435	4.3
178.12189	1.0
179.06998	2.7
181.04984	1.6
183.06537	1.3
189.12773	2.4
192.04156	9.4
194.05368	1.4
203.07039	2.0
206.11697	1.4
207.06511	100.0
207.13748	6.2
208.06874	2.0
221.08047	2.6
224.12813	2.3
225.07570	33.0
242.13876	2.2
248.02759	1.1
257.09149	1.1
268.08234	3.2
386.17319	1.4
404.09589	7.5
404.18948	4.6
405.17319	7.2
421.13544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14690	1.1
55.01872	1.0
57.03425	1.3
65.03938	1.5
67.05523	1.2
67.37938	1.0
69.03419	1.9
70.06585	2.0
71.50429	1.4
79.05482	1.3
81.03428	3.5
85.02897	4.9
91.05481	17.8
95.04963	1.9
97.02857	2.6
99.04435	2.4
105.07023	2.0
107.04963	1.8
107.14849	1.3
109.02877	4.2
119.04940	23.4
121.10145	1.5
123.04449	3.8
123.08067	1.1
124.03944	1.5
127.03868	2.1
137.05974	3.6
147.04405	22.9
153.05374	1.2
157.04007	3.3
163.38319	1.1
167.07037	44.2
169.04779	1.0
171.03044	1.1
175.03902	41.8
177.05408	1.5
179.06944	2.3
181.05006	2.3
190.45604	1.1
207.06523	100.0
207.13800	1.6
208.06917	2.3
225.11201	5.3
369.11673	3.5
372.97409	1.2
404.10562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.7
60.04510	0.8
66.50639	0.6
69.03422	1.9
70.06588	4.1
71.51859	0.9
79.05488	1.4
79.14431	0.6
80.06275	0.6
81.03413	2.7
81.07036	1.1
85.02926	3.5
85.06514	0.9
85.38155	0.6
89.03918	0.9
91.05474	18.6
93.07008	1.0
95.04983	0.7
95.08607	1.0
97.02888	1.6
99.04433	0.7
105.03362	0.8
105.07041	0.9
107.04940	0.7
107.08570	1.2
109.02842	1.2
109.10106	0.8
119.04939	27.9
119.08549	1.6
120.05259	1.1
121.02877	0.8
121.06535	1.0
121.10166	0.8
123.04443	3.8
124.07561	0.9
127.03936	1.8
132.02068	1.0
133.10164	0.9
135.04407	0.9
137.05948	1.5
137.09593	0.8
138.09120	0.8
143.03394	0.7
145.02811	0.9
147.04407	26.2
147.08032	2.8
147.11678	1.0
149.09627	1.1
157.03931	1.8
164.04628	1.0
166.08549	1.1
167.07094	1.4
175.03909	42.8
176.04330	0.9
177.05470	2.1
178.12189	0.8
179.07039	2.7
181.04964	0.7
189.12756	1.6
192.04140	0.8
206.11920	0.8
207.06523	100.0
208.06882	2.9
221.08112	1.1
224.12816	0.9
224.16675	1.0
225.07518	0.8
242.13823	1.1
242.17506	1.4
303.19077	0.8
329.10245	0.8
351.10583	1.1
369.11792	2.6
386.15967	1.5
396.57178	0.7
404.14059	0.9
404.18985	2.1
405.17319	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03935	3.1
55.01858	0.8
55.05510	0.6
57.03431	1.0
62.06077	0.6
69.03426	7.6
70.04837	0.5
71.03281	1.2
71.04976	1.0
73.02896	0.7
78.03444	8.7
78.03864	0.6
80.05006	1.5
81.03411	14.0
83.04972	1.6
85.02901	7.1
87.04390	0.4
96.04487	3.5
97.02889	4.0
99.04451	2.1
101.06009	4.2
106.02906	44.5
109.02875	9.5
111.15143	0.4
124.03941	100.0
125.04327	0.8
127.03902	7.0
145.04933	0.7
166.04977	1.4
196.06042	0.5
207.06470	0.5
232.06033	3.9
250.04472	0.8
250.07082	18.0
268.08139	63.9
269.08466	0.6
286.09317	3.1
404.15530	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03944	1.8
55.01891	0.4
55.05517	0.5
56.05287	0.3
57.03431	1.1
59.04997	1.2
61.02913	0.9
69.03424	7.3
70.06583	0.3
70.76282	0.9
71.04988	1.2
73.02917	0.6
78.03450	10.7
80.05013	2.3
81.02935	0.6
81.03416	11.3
83.04960	1.2
85.02906	8.4
85.69900	0.3
96.04485	3.7
97.02885	3.4
99.04467	1.7
101.06019	1.5
106.02912	42.9
107.03203	0.5
109.02881	7.6
110.07303	0.4
119.07059	0.8
124.03947	100.0
125.04285	1.1
127.03909	5.3
137.05974	0.4
138.05478	0.4
145.04958	1.0
166.05003	1.4
169.04935	0.7
175.03864	0.5
232.06026	3.3
250.07108	11.9
268.08148	53.8
269.08505	1.2
304.54639	0.3
308.88635	0.3
314.14801	0.4
404.15475	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01857	1.8
57.03432	1.1
59.04980	2.3
61.02908	1.0
65.03921	1.5
67.05501	1.9
68.67524	1.1
69.03415	6.1
69.07053	1.0
70.06598	6.7
71.04986	1.0
71.21999	1.8
79.05482	2.1
81.03423	5.7
81.07059	2.4
83.04961	1.6
85.02898	10.7
87.00816	1.1
87.04482	1.3
89.03920	1.2
91.05472	18.7
93.07040	2.5
94.06576	1.8
95.04960	3.2
95.08595	3.0
97.02888	4.2
99.04439	2.0
103.05491	1.1
105.01852	1.5
105.07047	3.1
107.08581	4.1
109.02880	4.6
109.06528	1.8
109.10153	1.1
110.06003	1.7
115.57629	1.1
115.73904	1.1
118.04218	1.2
118.60957	1.1
119.04121	1.9
119.04935	22.7
119.05782	1.2
119.08556	4.1
121.06568	1.5
121.10104	1.3
123.04414	3.3
123.08095	6.0
123.08842	1.0
123.11691	1.0
124.03939	4.4
124.07593	2.8
127.03891	3.9
129.06952	1.1
131.08630	1.2
132.02153	1.7
133.06404	1.4
135.04420	3.2
135.08061	1.3
137.02332	18.6
137.05965	3.9
143.04927	1.3
145.04933	1.8
147.04399	23.0
147.07986	2.8
147.11681	3.1
149.02313	2.4
149.05954	2.2
149.09595	1.3
153.05400	2.0
157.03931	1.8
163.03880	6.2
163.11223	1.1
164.04457	1.7
167.07034	3.1
171.11719	1.9
175.03902	40.0
175.07460	2.3
175.45390	1.0
177.05435	4.3
178.12189	1.0
179.06998	2.7
181.04984	1.6
183.06537	1.3
189.12773	2.4
192.04156	9.4
194.05368	1.4
203.07039	2.0
206.11697	1.4
207.06511	100.0
207.13748	6.2
208.06874	2.0
221.08047	2.6
224.12813	2.3
225.07570	33.0
242.13876	2.2
248.02759	1.1
257.09149	1.1
268.08234	3.2
386.17319	1.4
404.09589	7.5
404.18948	4.6
405.17319	7.2
421.13544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
57.07053	2.0
67.05501	9.4
69.07056	6.2
71.04988	2.0
79.05486	14.8
81.07054	17.6
83.08597	2.4
85.06556	2.7
91.05486	12.4
93.07045	16.4
95.05008	2.0
95.08601	23.7
99.08089	1.8
105.07011	21.7
107.08588	44.8
109.06523	3.8
109.10154	14.8
115.40238	1.6
117.07000	3.9
119.08572	49.3
119.09373	3.0
121.06496	2.7
121.10151	16.1
123.11679	4.8
129.01842	1.8
129.07014	2.9
131.08598	6.8
133.10115	24.4
135.08047	100.0
135.11682	20.6
137.09618	12.1
143.08559	3.7
145.10115	13.7
147.11696	16.7
149.09637	2.3
149.13232	1.7
151.11157	5.0
155.08542	2.4
157.10106	5.1
159.11678	11.5
161.09589	1.9
161.13269	7.1
163.11220	2.7
169.10172	1.9
171.11652	3.5
173.13321	5.5
175.11259	1.8
175.14844	5.1
177.16476	2.3
181.04819	3.2
183.11700	3.2
184.07365	3.6
185.13235	4.5
187.14799	17.0
189.16364	75.3
190.16797	1.9
195.11621	2.1
197.13264	3.0
199.14857	3.1
201.12762	3.5
201.16393	4.1
202.49467	1.7
203.14291	3.7
205.15950	1.6
209.13116	2.6
211.14745	3.8
213.16432	1.9
215.14510	1.8
217.15973	3.3
235.16913	7.5
243.17487	5.8
251.17917	2.3
321.25748	16.0
339.26797	35.2
385.27380	11.4
403.28464	58.9
403.33472	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	403.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.2
55.01853	2.8
55.05503	12.5
57.03418	2.5
57.07060	6.0
59.04992	1.8
63.36713	1.7
67.05191	1.6
67.05505	25.5
69.03410	2.4
69.07066	29.5
69.53430	2.1
69.53837	10.4
71.04988	16.8
79.05490	16.7
79.67965	1.6
81.07053	58.8
82.07391	1.8
83.04956	1.9
83.08618	11.9
85.06538	100.0
88.79945	1.5
91.05473	14.4
93.07035	53.0
95.04951	4.9
95.08601	93.4
97.06520	9.8
97.10158	7.0
98.21577	1.6
99.08025	1.9
104.63937	1.6
105.07022	23.5
107.08587	73.8
107.09318	3.5
109.06492	2.9
109.10148	46.6
111.08044	6.6
111.11673	1.8
117.07000	3.3
119.08581	25.8
121.10135	52.7
123.08053	2.0
123.11686	21.0
125.09579	3.7
125.13350	1.6
129.07004	2.0
131.08527	3.6
132.37581	1.6
133.10120	19.6
135.10710	2.9
135.11685	39.2
137.09573	2.3
137.13263	11.4
141.06804	2.1
145.10124	3.8
147.11690	15.2
149.13249	25.3
151.11234	1.8
151.14801	2.9
157.10042	3.4
159.11674	4.8
161.13258	17.3
163.14818	30.7
165.16354	1.8
167.14297	3.0
173.13228	2.5
175.14851	8.9
177.16393	14.3
179.14282	6.0
181.15858	8.1
187.14796	4.0
189.16428	9.5
191.17958	37.4
193.15903	11.9
195.17436	6.0
199.14819	2.6
201.16347	4.4
203.17963	16.0
205.19460	6.4
207.17404	6.2
214.93257	1.6
217.19556	8.4
221.18893	2.6
235.20532	2.5
275.23700	1.6
308.01480	1.9
322.01657	1.9
385.34659	28.6
403.24820	3.4
403.35190	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	403.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.2
54.02629	6.5
55.01868	7.3
67.05484	8.3
69.03427	35.1
69.07063	8.1
70.06577	24.3
71.04981	8.8
71.11639	7.3
71.11982	14.9
72.08134	10.7
79.05505	13.9
81.03413	24.2
81.07024	11.2
83.04966	12.5
84.01258	6.2
84.08125	9.1
85.02906	32.6
85.06509	10.1
86.09693	19.7
87.04482	8.0
90.19727	6.7
91.05474	29.8
93.07046	43.9
95.04964	15.1
95.08601	7.8
95.52865	7.0
96.04492	7.3
97.02882	13.1
97.06499	8.7
98.97559	13.2
99.04429	15.2
103.05463	7.4
105.03406	7.9
105.06985	12.9
106.02892	23.1
107.08589	11.1
109.02824	13.0
112.07591	12.7
121.06491	100.0
123.04420	34.1
123.08086	8.6
124.03926	35.2
127.03918	21.9
127.07557	7.0
129.01830	9.2
135.04393	9.6
135.08066	8.8
137.05975	10.1
137.09593	7.4
139.03860	10.8
144.08136	12.8
147.04387	11.7
153.01854	12.1
159.11696	11.8
163.03909	13.8
167.07011	13.8
175.03946	9.2
177.05473	11.7
181.04930	27.3
205.12276	42.8
207.06465	17.1
223.13280	20.7
241.14417	12.7
265.64539	6.6
268.08170	21.6
269.08496	8.2
352.61209	7.2
403.10806	7.0
403.15692	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1385
Annotation	2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE
Peak:m/z	Relative Intensity
53.03934	0.4
55.01850	0.7
55.05490	0.9
57.03421	0.4
57.07066	0.4
61.02917	0.5
67.05493	0.9
69.03421	1.6
69.07055	0.9
71.04983	0.7
71.50964	0.6
78.64889	0.3
79.05467	1.5
81.03406	1.6
81.07051	2.3
83.08595	0.6
85.02897	3.2
85.06522	0.9
90.94434	0.3
91.05480	2.1
91.32085	0.4
93.07022	1.9
95.04926	1.0
95.08578	1.4
97.02871	1.0
97.06538	0.6
97.10129	0.7
101.09998	0.4
103.05463	0.8
105.07007	1.9
107.04946	1.1
107.08578	1.2
109.02872	0.9
109.06504	0.7
109.10132	1.5
111.04417	0.6
118.93343	0.4
119.08542	0.8
121.06516	0.7
121.10116	1.3
123.04413	0.9
123.08059	0.6
123.11710	0.5
125.05943	0.6
127.03879	0.9
128.06288	0.4
131.04926	1.2
131.08604	0.5
132.05693	0.8
133.06506	0.7
133.10078	0.9
135.11641	0.7
137.05940	1.3
139.03902	0.4
143.08492	0.4
145.04893	0.4
145.06439	0.7
145.10149	0.8
147.04399	0.6
147.11636	0.6
149.05937	0.4
149.09497	0.5
149.13237	0.3
151.49571	0.4
152.06134	0.5
153.05452	1.3
153.06798	0.4
157.10100	0.4
159.08023	0.5
159.11694	0.4
161.06007	0.4
163.11172	0.4
165.05438	1.8
165.06726	0.4
167.03336	0.7
167.07030	3.9
167.08553	1.2
171.08008	0.6
171.11575	0.4
175.11230	0.4
177.05440	1.1
177.06895	0.4
181.04936	0.9
185.13287	0.4
191.07022	0.4
192.07759	1.1
193.04898	0.5
195.08037	2.0
197.05960	0.4
198.06773	0.6
200.04649	4.1
211.03900	1.0
213.05466	0.8
219.06454	0.5
223.05493	0.7
223.07533	9.3
224.08188	0.9
225.05443	0.8
226.04124	0.6
226.06242	6.7
239.34322	0.3
240.07762	1.2
241.08577	100.0
242.08978	4.0
269.08463	0.4
353.02310	0.4
353.10147	0.7
373.12698	0.6
375.14166	0.5
403.13879	1.6
403.24506	1.1
403.29068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1385
Annotation	6,7,8,3',4',5'-Hexamethoxyisoflavone
Peak:m/z	Relative Intensity
50.77945	0.4
52.85773	0.5
55.01861	0.7
55.05507	0.7
65.03933	2.4
66.77192	0.5
67.05502	1.2
69.03416	1.1
69.07039	0.6
69.16978	5.6
78.04705	2.7
79.05482	2.5
79.07140	0.4
81.03408	1.0
81.07027	1.7
83.04958	1.1
83.46768	0.5
85.02885	1.5
91.05473	1.4
93.07023	1.3
95.04955	2.0
95.08579	0.6
97.02836	0.4
98.99465	0.5
103.05460	1.7
104.91106	0.5
105.03383	0.8
105.07032	1.8
106.04163	0.9
107.04953	4.5
109.02847	1.2
109.10197	0.6
110.03680	1.2
111.04413	0.9
111.08053	0.5
115.05435	1.4
117.07013	0.9
119.08613	1.0
120.33758	0.5
121.10062	0.5
122.03656	0.9
123.04433	6.2
124.05246	2.7
125.02364	0.8
125.05972	0.7
125.09617	0.7
131.04919	6.6
133.06468	1.2
133.10085	0.6
135.04456	0.6
137.05898	0.8
138.03110	1.5
139.03848	0.5
145.06447	2.4
147.04443	0.9
151.03888	2.0
152.04669	2.2
153.05458	12.1
157.04927	2.5
159.04411	25.0
160.05037	0.5
161.05974	1.8
163.03804	0.5
167.03401	18.5
167.07028	100.0
168.07368	2.7
173.05965	2.2
181.04938	14.7
183.06520	0.8
189.05566	0.7
191.07005	3.9
193.08586	1.1
201.05453	0.6
203.07018	0.5
205.08542	0.8
207.06517	0.6
217.08632	0.5
219.06519	12.9
221.08093	7.8
223.13266	0.7
233.11586	0.5
249.07603	2.3
315.67432	0.5
325.10721	0.8
341.09988	0.7
373.12787	16.3
374.13251	0.8
385.12869	0.8
403.13834	28.3
404.14209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
56.37036	0.3
57.07076	7.6
58.00034	0.3
58.06590	1.4
58.18151	0.3
67.05506	0.8
68.05008	0.4
68.39783	0.3
68.74438	0.3
69.07056	1.0
69.28547	0.3
70.06590	16.5
70.18484	1.1
70.18898	0.6
71.08636	3.0
72.08141	0.8
79.05470	0.5
81.07058	0.8
83.08654	0.4
84.08165	0.4
85.10186	1.8
88.07627	22.6
89.07964	0.3
93.07066	0.6
95.08597	0.7
97.10126	0.5
102.09177	14.4
105.06998	0.5
107.08593	0.5
112.34878	0.3
119.08557	0.4
121.10139	0.4
121.73499	0.3
123.11687	0.6
130.12491	0.3
130.25177	0.3
131.08614	0.6
132.10223	1.3
133.10147	0.6
143.08398	0.5
145.10168	0.5
146.11742	0.6
147.00919	0.4
147.11697	0.4
150.11272	1.1
155.29025	0.4
167.06863	0.4
173.46115	0.4
179.03403	0.6
181.04938	0.5
206.84225	0.4
258.84045	0.3
296.33054	0.5
299.69681	0.3
340.35721	37.9
341.36017	2.5
384.22961	0.6
384.38260	2.7
389.60895	0.4
402.39392	100.0
403.33676	1.1
403.39670	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	402.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50570	0.5
57.07071	6.1
65.03939	0.9
69.03401	0.6
71.18151	1.2
71.18501	0.8
79.05495	0.8
81.03414	0.6
81.07057	0.6
81.42812	0.5
85.02886	1.5
91.05499	0.6
107.08572	0.6
121.02869	2.1
149.02335	100.0
150.02679	1.5
153.05450	0.7
167.03410	7.1
167.07045	2.3
168.07326	1.0
181.04939	0.6
181.61021	0.5
190.05031	0.6
205.08527	1.1
223.09648	10.6
224.10045	0.5
237.76509	0.7
288.50653	0.5
331.10806	0.6
356.11874	0.7
384.15289	0.7
402.16415	2.9
402.27240	1.6
406.77316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56813	1.8
55.01868	6.9
57.03445	9.3
61.02916	4.5
69.03424	15.7
70.06580	2.0
71.50628	2.9
71.55984	1.7
73.02918	12.2
73.06556	100.0
81.03401	4.7
84.08131	1.8
85.02903	34.6
86.83869	1.9
87.04464	1.9
91.07579	14.8
95.04968	2.4
97.02888	21.7
98.26758	2.0
99.04410	1.8
106.40849	1.7
109.02869	4.2
115.03934	9.0
116.98674	2.7
120.35760	1.7
123.04434	3.8
124.03919	4.2
127.03902	13.8
128.28265	1.9
133.04979	11.4
137.05945	2.0
145.04958	13.4
163.03888	2.0
163.06035	4.7
167.06961	2.2
167.44266	1.9
177.05434	2.3
178.08620	1.8
181.04927	8.1
209.08064	2.7
222.11346	2.5
240.12299	3.1
253.12756	2.9
402.13809	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	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94413	0.4
52.35086	0.4
54.47957	0.4
55.01868	0.4
57.07069	5.0
66.66029	0.4
69.87552	1.9
79.05484	0.5
81.07054	0.7
83.04973	0.5
85.02895	1.2
91.05453	0.5
93.07068	0.4
97.02865	0.7
107.04989	0.4
109.02889	0.5
111.73835	0.5
119.24233	0.4
121.02876	2.4
121.03607	0.5
123.04440	0.4
149.02335	100.0
150.02684	1.3
167.03395	8.2
167.07024	1.2
168.07391	0.5
181.05028	0.5
190.04938	0.5
205.08687	0.9
223.09656	12.1
281.07782	0.6
320.15353	0.5
331.11395	0.5
384.15332	0.6
402.16428	2.1
402.27328	2.0
403.13550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.6
53.03937	4.7
55.01854	1.3
57.03421	2.1
58.84159	1.0
59.04973	1.1
59.65928	0.9
66.15182	0.9
67.04984	1.1
68.99773	2.2
69.03422	13.9
70.06585	99.7
70.80600	3.2
71.04974	2.9
71.06921	1.9
72.08120	1.1
73.02901	3.4
78.03441	11.2
79.05474	1.1
80.05006	2.9
81.03415	25.2
85.02897	8.8
85.29261	0.9
87.04472	0.9
91.05460	2.1
91.99186	1.3
93.07079	1.1
95.04984	2.0
96.04478	5.8
97.02867	6.0
99.04450	10.6
104.07988	1.1
106.02905	62.3
107.04967	3.1
108.08087	1.0
109.02860	16.5
110.06046	1.0
112.07622	1.2
115.03879	1.1
117.05481	4.1
119.04907	1.1
121.06522	2.1
123.04426	4.2
124.03941	100.0
127.03893	10.3
131.04874	1.6
135.04417	4.2
137.05908	1.4
139.03888	14.6
142.27383	1.1
145.04919	1.5
147.04422	2.6
149.05930	6.5
159.04433	1.4
163.03893	7.9
165.05428	2.1
166.05054	1.5
169.04842	1.1
175.07550	1.2
177.05453	56.0
179.07037	1.7
181.04980	4.1
191.07010	1.3
204.08479	1.6
219.06544	1.4
222.07646	1.9
222.11317	1.3
232.06126	2.7
234.11230	2.7
240.08665	2.0
240.12479	1.2
250.07085	30.6
250.10854	1.7
251.07494	1.2
263.99261	1.2
268.08145	34.3
269.08530	1.6
286.09207	4.7
327.08627	1.4
345.09686	7.8
350.30258	1.2
384.12820	6.3
402.15390	42.7
403.15875	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	401.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55907	1.8
53.03949	2.3
55.01865	3.3
55.05505	18.5
57.03416	2.5
57.07075	3.9
65.03950	3.3
66.38046	1.9
67.05506	31.0
69.03427	3.2
69.07066	37.0
69.40739	15.5
71.04994	17.3
71.08644	2.5
79.05492	29.1
81.03405	2.6
81.07056	74.2
82.07389	3.0
83.04977	3.3
83.08621	10.5
85.02928	2.8
85.06539	87.0
91.05473	26.0
93.06489	3.7
93.07042	53.0
95.04957	8.4
95.08607	100.0
97.06513	12.0
97.10171	6.4
99.08064	3.2
105.07030	52.3
107.04930	4.8
107.08590	76.0
109.02878	4.3
109.06516	8.2
109.10150	47.2
111.08080	24.8
111.11717	2.4
115.05412	3.1
117.07049	4.8
119.08574	43.9
121.06470	2.8
121.10139	51.9
123.04402	4.0
123.08065	6.6
123.11691	21.6
125.09619	6.3
128.06232	2.9
129.06953	2.4
131.04909	2.1
131.08569	16.6
133.10124	35.1
135.08020	4.8
135.11690	26.9
137.09604	6.4
137.13283	5.2
139.11191	4.3
143.08575	6.4
145.10112	26.7
147.08061	3.3
147.11688	29.9
149.09607	4.1
149.13251	46.6
155.08542	3.6
157.10155	6.6
159.11685	19.8
161.09616	2.7
161.13248	34.4
163.11163	3.4
163.14809	27.3
167.03413	2.3
167.07039	6.7
167.14282	4.2
169.10155	2.4
171.11699	5.5
173.09631	2.7
173.13274	12.9
175.11218	2.3
175.14857	16.7
177.12764	2.2
177.16354	18.4
179.14302	8.1
181.10182	2.7
181.15849	4.4
183.11752	3.3
185.13274	4.8
187.14807	10.4
189.12808	2.3
189.16388	18.1
191.17938	3.4
193.15933	11.2
195.17474	4.1
199.14818	2.8
201.16418	8.5
202.07669	1.9
203.14203	2.5
203.17952	12.8
205.15919	15.8
207.17395	20.9
213.16409	3.5
215.17950	14.9
217.15903	2.1
217.19502	6.0
219.17418	6.1
221.18977	5.4
229.19534	4.4
231.17538	2.1
233.18990	11.6
255.21214	3.7
259.20303	2.8
291.19644	3.0
315.08533	2.5
330.10947	2.3
343.29739	10.4
365.32233	3.0
371.33160	5.1
372.06400	3.9
383.09277	3.5
383.14737	3.2
383.21991	2.6
383.33112	32.1
384.33084	3.4
401.26938	4.6
401.34232	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01840	2.2
55.05510	19.2
55.45931	1.4
57.03405	2.2
57.07057	5.8
61.50114	1.5
65.03924	2.0
67.05499	33.0
69.03397	2.1
69.07071	26.7
69.37883	15.3
71.04993	12.2
71.08625	1.6
77.03959	1.8
79.05482	23.0
81.03413	2.6
81.07051	77.8
82.07391	2.4
82.90234	1.5
83.04955	1.8
83.08619	10.5
85.06541	84.3
91.05482	23.1
93.07037	54.5
93.07478	0.9
95.04948	4.4
95.08601	100.0
97.06539	8.0
97.10148	6.3
97.46378	1.5
97.47080	1.7
99.08073	1.9
101.05969	2.2
105.07026	51.0
106.07316	2.4
107.04946	4.4
107.08587	75.0
108.08884	1.9
109.02887	4.0
109.06496	4.9
109.10152	49.6
111.08067	21.5
117.07027	5.2
119.05948	1.5
119.08569	47.7
121.06465	2.9
121.10144	51.8
121.60137	1.7
123.08050	5.5
123.11685	18.0
125.09593	3.9
129.05534	2.0
129.07004	2.9
131.04913	5.2
131.08571	12.1
133.10118	32.4
135.11688	23.5
135.12631	3.1
137.09624	2.1
137.13240	7.4
139.11183	3.4
143.08539	3.7
144.09268	2.5
145.10104	23.6
147.02826	1.8
147.08049	2.0
147.11673	35.0
148.12032	1.9
149.09625	3.2
149.13257	54.4
151.11151	3.1
151.14841	3.5
155.08562	2.3
157.10104	6.5
159.11710	22.8
161.09628	3.3
161.13239	33.9
163.07440	1.8
163.11157	4.1
163.14803	27.2
164.15138	1.9
165.12682	2.3
165.81604	1.7
167.06998	3.2
167.14284	3.2
169.10007	2.0
169.15848	1.6
171.11690	4.2
173.13264	12.4
175.14790	23.3
176.86484	1.8
177.12759	5.2
177.16374	21.3
179.14299	4.7
181.15839	5.7
183.11629	2.2
185.13237	3.3
187.14857	8.8
189.16373	21.8
191.17871	4.4
193.15901	10.8
195.17407	3.9
199.14871	2.1
201.11160	2.8
201.16310	8.2
203.17876	9.7
205.15872	12.9
205.19502	3.4
207.17426	20.1
213.16307	3.7
215.17964	21.5
217.19498	2.6
219.17393	4.1
221.18991	3.9
233.19032	14.0
247.20610	1.9
255.21033	1.8
257.22696	2.6
272.47818	1.6
273.22092	1.8
289.25241	1.8
330.10995	1.8
343.29956	10.9
371.33417	2.6
383.33075	31.4
384.33347	2.3
401.10809	2.3
401.22943	2.9
401.34161	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01873	10.1
55.05508	13.3
57.03431	3.2
57.07073	84.8
58.07412	3.1
64.55914	2.0
67.05508	28.3
69.03428	17.4
69.07068	19.2
70.06606	3.7
70.97996	4.2
71.04996	7.3
71.08628	63.3
73.02901	4.6
79.05481	7.0
81.03416	20.6
81.07053	45.6
83.08614	30.8
84.09026	2.0
85.02905	5.1
85.10181	37.4
88.07625	6.1
91.05509	4.5
93.07072	5.2
95.08606	55.6
97.02885	95.9
97.10152	16.1
99.04444	40.2
102.09174	3.2
103.05508	5.0
104.08920	2.2
105.07012	5.2
107.08598	5.0
109.02873	21.8
109.10146	31.1
111.11732	5.6
113.13258	2.4
119.08598	3.7
121.10165	5.9
123.11697	14.8
125.13248	3.9
127.03915	56.5
127.28227	2.2
131.04950	6.6
131.08565	4.8
133.10118	4.3
135.11696	3.2
137.13239	7.9
139.14803	3.4
145.04944	9.1
145.10193	2.8
147.11632	3.8
149.13228	2.6
151.14815	4.4
155.08527	2.2
175.14848	2.0
181.04961	5.1
189.16418	2.5
193.05008	9.5
221.22685	6.9
227.17979	2.3
239.23683	100.0
240.23997	5.8
257.24637	3.2
300.06549	2.2
339.34494	6.7
383.22302	2.6
401.19714	2.5
401.30630	5.3
401.38205	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	401.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05504	2.8
57.07088	1.4
67.05500	6.3
67.98809	1.0
69.07056	5.0
71.52834	1.9
79.05476	5.1
81.07045	11.5
83.05002	1.1
83.08616	1.3
85.06545	1.4
88.07601	1.6
91.05461	6.1
93.07028	8.3
95.04941	4.0
95.08598	10.5
97.10208	1.2
105.07011	7.1
107.08578	8.9
109.06493	2.2
109.10157	7.2
111.04430	1.4
115.05405	1.4
117.07027	3.6
119.08579	7.1
121.06450	1.4
121.10155	7.7
123.11695	6.6
124.01591	1.6
131.08562	6.1
133.06439	1.5
133.10051	5.9
135.08066	1.3
135.11662	6.5
137.06012	2.0
141.05452	2.3
145.10103	9.4
147.11644	4.1
149.13297	1.8
151.07559	1.4
152.00981	1.2
153.05444	12.3
157.10114	3.6
159.11684	9.4
161.13228	3.1
163.11157	1.6
163.14827	1.9
167.03386	100.0
167.07056	3.5
168.03729	2.1
169.04897	1.4
170.02153	2.5
173.13205	4.0
175.14798	3.1
177.12762	2.2
177.16417	1.5
179.07043	1.5
181.04985	2.7
183.06610	1.7
183.11679	1.9
185.13301	1.1
187.14745	2.9
191.17903	3.1
193.05023	1.4
195.06529	4.8
199.14752	1.5
201.16350	14.3
205.08583	1.5
215.17952	4.8
219.06415	1.9
219.17412	15.0
225.16322	1.7
243.17458	4.6
247.05916	1.7
261.18375	5.2
323.16342	1.3
339.34250	1.5
355.22717	1.6
365.20834	1.8
383.22089	15.7
383.29346	1.3
401.23209	22.8
401.38190	4.5
418.58386	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	401.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03934	1.3
55.01868	1.3
55.05494	2.3
57.03415	1.5
58.78505	0.5
67.05497	3.0
69.03428	0.9
69.07061	2.0
69.86800	3.4
71.04988	0.8
73.85133	0.6
79.05492	4.0
81.03411	1.6
81.07043	5.3
83.04964	1.9
83.08633	1.3
84.08142	0.6
85.02906	1.0
85.06552	3.0
91.05472	7.3
92.06290	1.0
92.27208	0.5
93.07040	4.0
95.04965	2.6
95.08620	4.5
97.06508	1.6
97.10147	0.6
99.04443	0.7
99.08112	3.1
103.05466	28.2
105.07014	4.4
107.04951	66.6
107.08556	3.1
108.05205	1.1
109.02861	1.8
109.06506	1.3
109.10133	2.2
111.04453	0.9
115.05399	1.4
116.06255	0.9
117.07011	5.2
119.04948	2.1
119.08570	3.8
121.06500	18.4
121.10121	2.1
122.07288	20.9
123.04411	2.0
123.08133	0.8
123.11714	1.0
125.09642	0.8
127.03905	0.7
127.07597	0.7
128.06239	0.8
129.06982	2.0
131.04924	100.0
131.08560	2.4
132.05324	2.6
133.06503	2.8
133.10146	1.6
134.07317	0.7
135.04408	1.7
135.08060	3.2
135.11681	1.2
137.05956	4.8
137.13203	0.6
141.07016	1.3
143.08614	1.4
144.05672	1.6
145.06471	5.7
145.10147	2.4
146.07298	3.2
147.04463	1.1
147.08034	21.0
147.11699	1.4
148.08821	11.7
148.09932	1.0
149.09705	0.9
149.13275	0.7
151.07541	0.9
152.58849	0.7
155.08560	0.9
157.06496	1.3
157.10086	1.4
158.07297	1.5
159.08044	6.8
159.11658	1.4
160.08798	1.6
160.83539	0.6
161.06024	1.2
161.09601	2.2
161.13312	0.8
163.07539	40.3
163.11211	2.3
164.07997	0.7
167.07060	2.6
167.08638	0.6
171.11696	1.0
173.09651	2.9
173.13286	0.7
175.14864	0.7
177.09213	1.1
179.06985	1.1
179.08568	0.8
181.04945	0.9
181.08589	16.4
183.11604	0.6
185.09669	0.9
187.07500	0.9
187.11179	1.4
188.11948	1.7
189.09045	0.6
191.07065	0.7
191.10663	11.9
193.05103	0.9
195.08066	0.6
197.09660	0.9
201.12875	0.7
205.08554	1.8
206.13040	3.4
207.10161	29.9
208.10530	0.7
210.06752	0.7
211.07578	2.8
217.08325	0.6
219.08134	0.7
221.11720	1.6
221.15402	0.9
229.08551	2.3
236.08461	0.7
237.09041	1.0
241.08554	1.4
249.08989	0.9
267.10278	1.4
281.13821	7.1
289.14194	0.8
296.14001	1.6
303.05130	1.1
309.14789	1.8
325.14310	2.3
327.15887	45.2
328.16351	2.0
330.10995	1.6
353.17633	0.8
365.17569	1.7
383.14761	1.4
383.22205	1.7
383.26099	0.9
401.10483	1.0
401.23196	2.5
401.27396	0.9
401.31619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01857	4.2
55.05511	2.7
56.14187	1.3
63.69550	1.6
65.03927	3.8
67.05503	7.0
69.03420	4.2
69.07059	1.6
69.63419	9.9
70.06587	3.8
71.04979	2.8
78.04718	1.5
79.05484	15.1
81.03390	2.8
81.07048	7.2
83.04972	4.4
85.02896	4.8
85.88351	1.5
89.83875	1.5
91.05472	5.7
93.03403	1.8
93.07055	4.3
95.04958	16.8
95.08587	4.1
97.02861	1.8
97.06525	2.9
98.21436	2.2
103.05464	4.2
105.04574	1.8
105.07014	5.7
107.04945	24.5
107.08614	4.6
109.02892	2.7
109.06539	4.0
111.04430	3.2
111.08094	2.2
113.02362	1.7
115.03069	1.5
115.05434	6.4
116.06224	1.5
117.07030	3.1
119.08587	4.9
121.02840	2.2
121.06499	5.1
121.10152	6.2
123.04425	11.6
123.11716	3.6
124.05216	3.5
125.05978	2.7
127.03947	2.1
128.06204	7.4
129.07024	9.9
131.04926	2.3
131.08527	7.3
133.02898	2.7
133.06514	1.8
133.10133	3.1
135.04427	2.4
137.05949	5.4
139.03876	2.7
139.05440	1.6
139.11147	1.8
140.04663	3.8
141.06979	11.6
142.07761	4.5
143.08508	3.3
144.05707	6.7
145.02861	2.6
145.06451	6.9
147.08037	3.4
147.11678	2.2
149.06017	3.3
149.09567	2.2
151.03886	7.6
151.11086	2.0
152.04640	3.1
153.01913	1.7
153.05444	2.9
153.07014	2.1
155.07048	3.5
156.05721	5.3
157.06471	6.4
158.07191	2.5
159.08049	14.5
160.05199	2.4
161.06012	3.2
161.09720	2.0
167.07025	38.4
167.10637	2.3
168.04211	3.7
169.06369	3.1
169.12259	1.5
170.07268	23.1
171.07945	7.7
173.04504	2.3
173.05984	4.3
174.06793	2.6
175.07504	4.5
177.05511	8.7
179.07042	2.3
181.04924	8.1
182.05615	1.9
182.07280	1.5
183.06538	24.6
183.08086	2.5
184.05264	2.1
185.05959	2.7
187.07535	14.1
189.05415	5.2
189.07002	2.4
189.09123	3.5
190.07803	1.9
191.07011	3.3
191.08562	2.5
192.09441	2.1
193.08606	2.8
193.12172	1.5
197.11752	5.8
198.06805	4.0
199.07614	4.3
201.05354	2.7
202.06264	3.7
203.06961	14.4
203.08508	2.6
204.07803	1.9
205.06627	2.0
205.08476	3.6
206.07285	3.4
207.08153	2.0
211.13425	2.1
215.08768	2.0
216.07742	9.4
217.08568	20.5
218.07298	3.8
218.09401	13.6
219.08028	8.0
219.10085	38.7
220.08806	3.3
221.09607	1.8
221.15407	2.9
228.08446	1.5
231.08043	9.4
231.10196	30.1
232.10965	2.2
233.06071	2.3
233.09714	3.0
234.06795	3.7
235.07582	3.1
236.08345	2.9
239.16435	2.3
245.09558	2.9
246.06691	2.5
247.07553	9.9
247.09773	2.0
248.08292	9.1
249.05359	2.0
249.09094	7.0
251.10710	2.3
253.70509	1.5
259.07578	1.8
260.08224	2.4
261.09045	2.7
262.06299	3.6
262.09824	1.7
263.06985	3.7
263.10684	4.9
264.07861	5.0
265.08588	3.1
266.09412	1.6
275.07016	3.0
276.07809	6.3
277.08566	10.8
278.09369	2.3
279.07034	2.1
279.10199	9.1
281.08218	1.8
281.11670	2.2
283.09552	1.6
289.08777	2.7
290.09305	2.0
291.06891	1.6
291.10135	9.6
292.07309	5.1
293.08072	6.4
294.08618	2.0
295.09686	2.9
305.08194	4.4
306.05359	1.5
306.08878	2.0
307.09634	14.1
308.10403	6.2
309.07748	1.5
309.11179	4.0
311.12769	3.0
315.08752	2.3
318.09024	2.1
319.09628	4.6
322.08292	1.8
323.09103	4.0
323.12753	5.4
336.09818	2.5
337.10672	9.4
338.11499	2.6
339.08508	2.8
339.12250	3.5
341.13699	3.5
351.12256	5.7
353.10095	2.7
355.11911	3.2
369.13315	34.7
370.13928	2.4
383.14935	7.0
401.15979	100.0
402.16403	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.01872	3.8
55.05503	5.7
57.03419	2.7
65.03939	3.2
67.05487	10.2
69.03422	8.9
69.07056	9.5
69.66772	6.1
69.67188	7.4
71.04984	2.2
78.04712	2.4
79.05494	23.3
81.03399	9.2
81.07057	22.4
83.01342	3.0
83.04970	6.0
83.08595	4.3
85.02899	4.4
85.06548	4.1
89.33994	2.4
91.05488	17.8
93.07035	13.3
95.04977	10.8
95.08604	12.9
97.02897	3.0
97.06517	7.4
97.10153	3.7
99.04417	3.1
103.05443	5.3
105.07035	15.0
107.04951	33.4
107.08577	13.1
109.02873	7.9
109.06512	6.7
109.10163	12.6
111.04443	2.7
111.08067	3.9
115.05451	6.9
116.06155	3.7
117.06979	3.8
118.04107	2.1
119.04904	3.1
119.08571	9.1
121.06518	4.9
121.10145	9.7
123.04404	10.4
123.08050	4.1
123.11695	6.0
124.05180	8.7
125.05978	8.0
125.09648	3.0
127.03915	3.1
128.06219	5.6
129.06989	10.7
131.04919	9.2
131.08571	14.8
132.05733	3.0
133.06508	5.9
133.10136	9.2
133.68002	2.3
135.04416	2.6
135.08035	3.1
135.11665	6.1
137.05971	4.4
137.09604	2.9
139.11156	2.3
141.07031	4.0
143.08536	5.8
144.05684	8.7
145.06506	10.4
145.10129	7.0
147.04446	2.4
147.08028	3.4
147.11685	4.8
148.05167	2.7
149.09569	3.1
151.03894	6.1
151.07535	4.4
152.04666	2.2
153.05476	5.9
155.08482	3.1
156.05705	9.2
157.06500	3.5
157.10164	2.5
159.08049	16.7
159.11642	7.4
161.05959	5.6
161.09634	2.8
163.03911	5.5
163.07617	2.8
163.11171	2.5
165.05556	3.2
165.06985	4.5
165.12715	2.6
167.07039	100.0
169.06378	3.5
169.07631	2.6
169.10117	3.9
170.07182	2.6
173.05960	7.3
173.09656	5.0
173.13217	2.9
174.06741	2.1
175.04134	2.7
175.07503	3.6
175.14749	3.7
177.05463	3.0
177.09087	2.7
179.07008	4.1
179.08559	2.3
181.05003	19.6
181.06436	4.0
182.07256	2.6
183.11758	3.2
184.05206	3.5
185.13272	4.3
186.06735	4.5
187.07506	8.5
190.06215	2.9
191.07051	4.2
193.12158	2.0
195.06482	4.9
199.14780	3.2
202.06227	5.4
203.14311	3.2
203.18001	2.9
205.06725	2.9
205.08536	12.3
207.06532	8.1
208.05202	23.8
208.08919	2.4
210.06747	3.0
215.08530	3.1
217.08560	31.0
218.07182	4.9
219.08020	14.0
219.10208	6.2
220.08908	3.9
221.05983	6.5
221.19031	4.1
226.06248	2.8
227.07063	4.2
229.08711	7.0
231.08064	9.0
231.10155	4.2
232.08871	2.7
233.05876	2.7
233.09712	3.5
234.06677	2.8
235.07578	6.2
236.04726	7.8
236.08289	4.4
238.06393	2.5
239.07030	5.9
241.08621	2.9
245.09590	3.1
247.07487	11.8
247.09695	20.2
248.08322	13.5
249.05452	4.8
249.09102	3.8
253.08580	2.7
254.05588	11.6
255.06477	2.9
257.04443	2.6
259.07574	5.6
261.09106	6.5
262.09851	3.5
263.06888	5.0
263.10651	6.9
264.07904	6.7
265.08566	8.0
267.06448	8.3
269.08075	28.1
271.09674	6.1
272.06952	4.4
275.07040	5.3
276.07849	10.4
277.08618	6.2
278.05756	2.4
279.06763	2.6
279.10110	8.7
281.08081	4.1
282.05298	4.5
282.08856	13.9
285.07504	4.9
287.08945	2.5
290.09299	5.7
291.07120	2.4
291.10168	14.3
292.07446	4.5
292.10873	2.4
293.08087	7.7
295.09683	3.3
299.06073	2.5
299.09229	7.4
300.06091	2.5
301.06943	3.6
303.05063	3.5
304.07416	2.5
305.08035	3.9
305.11713	2.5
307.09579	12.9
308.10397	7.9
309.11136	2.8
310.08371	8.3
311.12689	3.4
315.08606	69.8
316.09122	4.6
319.09546	8.9
321.07574	4.1
323.09000	5.3
323.12732	16.7
325.10733	3.9
328.09457	4.9
330.10944	78.7
331.11740	12.1
335.09070	2.8
336.09827	4.7
337.10605	5.7
339.08426	2.8
339.12250	7.7
341.10254	3.0
343.11758	21.9
345.07556	2.4
351.12314	21.0
352.12830	4.9
353.10214	8.6
368.12625	10.0
369.13406	4.7
371.14719	6.9
373.12845	8.4
383.14999	56.1
383.25781	4.0
384.14941	3.4
401.11600	23.3
401.16019	15.1
401.22681	4.8
401.26788	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87139	1.9
53.03929	4.1
55.01877	5.1
55.05502	7.0
57.84058	2.6
65.03920	2.6
67.05501	7.5
69.03428	5.9
69.07064	6.5
71.04979	3.4
71.52873	3.7
78.04713	3.5
79.05499	17.4
79.92745	2.3
80.23228	2.1
81.03400	6.9
81.07066	13.2
83.05000	3.6
83.08627	2.3
85.02888	4.0
89.62990	2.0
91.05481	12.1
93.07040	7.3
95.04974	7.4
95.08595	9.9
97.06554	2.1
97.10191	2.5
103.05459	6.7
105.06987	10.8
107.04948	42.5
107.08589	8.0
109.02862	6.3
109.06492	3.5
109.10178	6.7
111.08086	4.2
115.05450	5.2
116.06260	2.7
117.07028	6.5
119.08571	7.3
121.06484	7.5
121.10130	4.8
123.04412	6.1
123.08058	2.7
123.11677	4.0
124.05191	6.7
125.06006	7.2
127.03960	2.5
128.06189	3.5
129.07005	8.0
131.04953	19.1
131.07742	2.3
131.08537	13.1
133.06458	3.4
133.10121	2.7
135.04407	4.4
135.08023	3.8
135.11618	4.1
137.05962	2.9
141.06898	2.6
143.04932	3.0
144.05663	6.3
145.06491	7.6
145.10146	6.8
147.04419	4.0
147.08061	6.1
147.11630	2.8
148.08887	2.7
149.02335	3.7
149.09584	2.3
151.03889	5.3
151.07523	3.1
153.05498	7.5
155.06067	2.9
156.05698	10.8
157.10104	4.4
158.07214	3.0
159.08072	17.5
159.11681	2.9
161.06033	4.1
161.09673	2.7
163.03902	8.8
163.07538	10.7
163.11240	2.3
167.07033	100.0
168.07338	3.8
173.06071	2.8
175.14833	2.3
177.05583	3.0
177.09038	2.6
178.07846	3.3
181.04970	12.4
181.06384	2.3
181.08511	3.8
184.05228	3.3
187.07582	9.2
189.05359	3.2
190.06268	3.4
191.07045	4.3
191.08595	2.6
191.10561	2.7
193.08502	4.3
195.06415	3.3
198.06944	2.9
202.06187	5.2
202.07852	3.4
203.08577	4.1
203.14589	2.8
203.17926	2.4
205.06693	4.7
205.08626	11.9
207.02858	3.6
207.06468	5.4
207.10211	5.4
208.05159	16.1
208.08897	2.6
210.06740	2.6
215.06895	2.8
217.08614	29.5
218.07268	3.0
219.08076	12.8
219.10165	6.4
220.08826	5.1
221.06015	7.7
221.18996	2.3
229.08618	3.5
230.07071	2.4
231.08072	10.4
231.10220	3.4
232.08850	2.6
233.09631	6.6
234.06891	4.6
235.07402	3.1
236.04720	8.4
236.08328	5.3
238.06209	4.2
239.07117	5.0
240.04189	3.2
241.08464	4.6
245.09520	4.4
247.07425	11.6
247.09714	16.0
248.08369	10.7
249.09064	4.7
251.06984	3.3
254.05711	10.0
255.06523	3.9
259.07617	3.0
261.09116	4.3
263.07034	5.5
263.10757	8.3
264.07916	8.2
265.08658	6.4
267.06577	10.2
269.08057	20.9
271.09711	5.6
272.06738	3.8
275.07001	5.1
276.07751	7.0
277.08688	4.0
278.05701	2.9
279.10193	5.1
281.08136	3.6
282.05658	3.2
282.08707	11.7
283.05725	2.6
289.08594	2.9
290.09244	3.5
291.10229	12.1
293.07980	8.5
295.09833	4.9
299.09192	6.6
300.09503	2.6
301.06973	4.0
305.08200	3.1
307.09610	10.3
308.10370	7.0
310.08414	4.7
315.08636	60.8
316.09457	3.4
317.08041	4.5
319.09647	10.0
323.09067	11.5
323.12823	14.7
327.15997	6.2
328.09485	6.5
330.10950	75.9
331.11615	12.1
332.06845	15.4
333.07526	6.9
336.09985	4.2
337.10803	7.1
339.12244	7.0
341.10370	3.7
343.11719	20.7
345.07657	13.1
351.12161	24.1
352.12958	5.3
353.10254	4.1
356.12784	2.9
368.12424	7.5
369.13361	3.1
371.14944	6.4
373.12991	3.4
383.10788	2.0
383.14914	54.3
401.11557	32.5
401.16238	11.9
401.22736	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01876	2.8
57.03426	1.6
65.03945	1.6
67.05489	4.0
69.03415	2.7
69.07062	4.3
69.42939	11.3
71.04986	2.5
78.04716	1.7
79.05489	15.3
81.03413	2.9
81.07056	7.9
83.04999	2.6
83.08637	2.7
85.02896	3.9
85.06552	1.9
91.05476	7.7
93.07054	5.3
95.04962	6.0
95.08603	6.7
97.02885	2.3
97.06528	2.8
98.21545	2.3
98.95970	1.3
100.24267	1.2
103.05486	2.4
105.07024	6.9
107.04955	28.7
107.08566	4.0
109.02903	2.0
109.06503	2.6
109.10161	4.1
110.03711	1.4
115.05456	3.9
116.06219	2.1
117.07024	3.9
118.04146	1.4
119.04958	1.4
119.08590	5.8
121.06498	2.3
121.10101	2.6
123.04429	5.1
123.08119	1.6
124.05220	5.9
125.05996	4.2
127.03907	1.4
128.06219	4.0
129.06996	5.5
130.39978	1.3
131.08569	11.2
132.05685	2.6
133.06479	2.6
133.10139	3.4
135.04440	1.5
135.11649	1.6
137.05981	3.5
138.03064	1.3
141.06982	4.4
144.05713	8.6
145.06494	6.1
145.10143	2.7
147.08096	1.5
151.03854	1.9
151.21588	1.4
152.04631	3.2
153.01730	1.6
153.05496	1.8
156.05687	11.4
157.06512	3.4
158.07253	2.1
159.08046	15.6
161.05928	2.1
163.03929	1.7
167.07036	100.0
168.07349	2.1
169.06427	2.9
169.07658	1.8
172.05247	1.8
173.06038	5.8
174.06723	1.4
175.07524	2.7
177.05534	3.8
179.07085	3.3
181.04961	6.4
181.06458	3.0
181.08649	3.1
181.10046	1.5
183.08052	1.6
184.05206	3.0
186.06781	3.0
187.07526	10.0
189.05502	2.1
189.07027	2.2
190.06230	2.3
191.08600	2.8
193.06453	2.2
193.08607	2.2
195.06491	4.1
195.08089	2.2
201.09102	1.7
202.06215	4.0
202.07895	3.3
203.06960	2.4
203.08662	3.6
203.17886	1.5
204.07715	2.0
205.06721	2.5
205.08618	14.3
205.10159	1.7
207.06586	5.0
208.05180	23.5
208.08731	2.0
209.05779	1.5
209.07986	2.9
210.06703	3.3
211.07558	2.5
217.08560	28.2
217.10403	2.3
218.07281	4.5
219.08069	10.5
219.10168	5.7
220.08813	5.9
221.06003	9.9
221.07880	2.4
222.06805	1.7
223.07474	1.8
225.05499	1.4
226.06197	3.2
229.08614	7.1
230.07329	1.9
231.08067	9.8
231.10066	2.9
233.09605	5.3
234.06757	3.2
235.07486	3.2
236.04634	8.2
236.08284	2.9
237.09293	1.5
238.06242	4.1
239.06976	3.7
239.19966	2.1
240.04320	2.7
241.08653	2.5
245.09677	2.4
246.06908	1.8
246.10229	1.6
247.07503	13.2
247.09702	21.0
248.08211	11.4
249.09161	2.9
250.06207	1.9
251.07042	1.8
251.10754	3.3
254.05695	9.5
255.06606	2.6
256.07095	1.5
257.04465	2.3
258.06842	1.7
259.07544	4.3
260.08328	3.4
261.05322	1.9
261.09198	5.2
262.09781	4.9
263.07013	6.2
263.10583	8.1
264.07825	8.0
265.08615	7.5
266.05801	1.7
267.06573	7.9
268.03714	3.5
268.10934	1.5
269.08054	25.7
271.09650	6.1
272.06812	5.8
275.06964	8.1
276.07874	6.9
277.08578	5.6
278.05536	2.3
279.07016	1.4
279.10147	8.4
280.07529	1.5
280.10873	2.1
282.05341	4.0
282.08850	17.5
284.06790	2.9
285.07779	1.6
287.09137	2.4
290.09338	5.1
291.06931	1.8
291.10144	21.0
292.07309	5.7
293.08179	10.4
295.09497	1.6
296.10355	1.8
297.07739	1.9
299.09137	5.4
300.06357	2.4
301.06857	2.2
304.07239	3.1
305.08102	4.3
307.06195	2.8
307.09531	12.2
308.10266	8.8
309.07751	2.5
309.11169	2.6
310.08377	9.7
311.09253	1.8
311.12781	3.2
315.08594	71.3
316.09174	2.6
318.08731	2.2
319.09622	8.0
320.10226	1.8
321.07611	4.5
321.11105	3.1
322.08231	2.6
322.11942	1.7
323.08984	4.0
323.12653	15.8
325.10883	2.3
328.09506	7.1
330.10965	92.8
331.11563	12.9
336.09921	4.0
337.10681	6.6
338.07724	2.8
339.12247	10.3
343.11707	22.3
350.11703	1.8
351.12204	27.1
352.12909	5.0
353.10196	7.0
356.12494	2.8
368.12497	8.3
369.13324	4.7
371.14853	5.0
383.14890	66.6
384.15210	2.3
401.11874	1.4
401.16077	18.5
401.27173	1.9
417.57925	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01859	2.4
58.81455	1.1
65.03929	1.4
67.05500	2.0
69.03453	2.9
71.04992	1.7
71.18045	1.5
71.18383	1.5
78.04686	1.3
79.05492	16.0
81.07043	5.1
85.02902	2.5
90.71791	1.3
91.05483	9.5
93.07031	3.9
94.48373	1.0
95.04972	3.4
95.08609	1.7
101.00620	1.5
103.05452	1.4
105.07040	3.9
107.04226	1.4
107.04955	25.8
107.08564	2.4
109.06503	2.4
115.05428	4.3
116.06229	2.0
117.06996	3.8
119.08584	1.6
120.32225	1.3
121.06500	1.8
121.10152	2.0
122.03721	1.5
123.04440	5.2
123.08060	2.6
123.11699	1.8
124.05215	6.1
125.05997	3.2
128.06223	2.9
129.06964	7.9
131.04958	2.3
131.08536	10.6
132.05692	2.0
133.06523	1.5
133.10088	1.6
135.04436	1.8
135.11600	1.3
137.05971	2.9
138.09537	1.2
139.11119	1.8
141.06981	4.7
144.05661	6.3
145.06476	6.0
147.04404	1.4
149.05991	1.2
149.09546	1.5
151.07527	1.7
152.04720	3.6
152.11607	1.4
156.05679	14.2
157.06523	3.5
159.08070	13.8
161.06015	2.7
163.03874	3.0
165.06944	2.1
167.07033	100.0
168.05736	1.8
168.07330	2.5
169.06448	2.8
170.07201	2.0
172.05240	1.4
173.05959	6.8
174.03070	1.6
174.06657	1.7
175.07536	1.2
177.05417	1.6
179.07042	1.6
181.05038	2.3
181.08528	2.5
182.07251	1.7
183.08034	1.8
184.05199	2.0
186.06746	4.0
187.07518	9.3
189.05379	1.6
189.06953	2.0
190.06276	3.6
190.07748	3.5
191.07018	2.2
191.08560	2.8
193.06520	2.3
193.08539	2.5
195.06551	3.8
195.08145	1.5
201.09087	1.5
202.06224	5.8
202.07870	3.1
203.08559	3.0
204.07700	2.1
205.06586	2.9
205.08609	13.1
205.10164	1.6
207.06386	6.1
207.08263	2.8
207.10124	2.4
208.05168	23.1
208.08830	2.1
210.06694	1.4
211.07552	3.6
215.08646	3.3
217.08575	30.5
218.07246	5.7
219.08066	14.1
219.10153	5.8
220.08835	5.4
221.06003	10.5
222.06805	2.3
225.05495	3.0
225.99904	1.2
227.07025	2.3
229.08441	6.2
230.07162	2.6
231.08162	9.6
231.10185	2.7
232.08809	2.6
233.05962	3.6
233.09677	5.3
234.06769	2.1
235.07542	4.3
236.04683	8.0
236.08299	4.7
237.09009	2.0
238.06148	2.7
239.07036	4.1
239.16527	2.0
240.04123	2.5
240.95203	1.2
241.04871	1.5
241.08656	1.8
245.09653	4.9
246.06735	3.3
247.07458	11.0
247.09700	20.9
248.08235	11.3
249.05525	4.2
249.09143	3.9
250.06213	3.5
251.07054	1.4
251.10651	3.9
254.05721	8.2
255.06471	2.7
257.04465	3.0
257.07874	1.3
258.06839	1.8
259.07495	4.6
260.08368	2.0
261.05591	1.4
261.09067	5.3
262.06247	2.6
262.09897	4.2
263.07004	4.7
263.10593	10.8
264.07779	7.2
265.08658	5.0
266.05792	1.9
267.06488	13.4
268.03613	3.2
269.08038	25.5
271.06180	1.8
271.09616	8.1
272.06778	5.3
273.09073	2.0
274.06360	1.4
275.07007	5.9
276.07831	7.8
277.08621	4.4
278.09271	1.2
279.06873	2.3
279.10159	11.1
281.07986	2.0
282.05475	2.3
282.08853	18.8
285.07681	3.0
287.09192	3.6
289.08813	1.6
290.09293	3.9
291.06970	1.6
291.10059	14.5
292.07266	4.4
292.10532	1.9
293.08057	9.2
293.11224	2.0
295.09509	1.6
299.09225	5.9
300.06256	3.7
300.09821	1.6
301.07196	5.1
302.48413	1.5
305.08139	3.3
307.09579	12.3
308.10449	7.3
309.07654	2.8
309.10828	2.6
310.08386	9.1
311.12656	1.5
313.10757	2.1
315.08606	77.2
316.09116	3.8
318.08563	1.7
319.09659	8.7
320.10086	1.9
321.07904	2.2
322.08414	2.6
322.12051	1.4
323.05627	1.5
323.09311	2.5
323.12741	16.2
324.09842	2.0
325.10608	2.3
328.09393	5.5
330.10962	86.8
331.11560	12.7
335.09128	2.3
336.09857	5.3
337.10721	7.6
338.11356	1.9
339.12167	9.8
343.11700	23.6
344.12457	1.4
350.11481	2.2
351.12253	24.7
352.13016	4.4
353.10089	6.7
356.12573	3.9
368.12595	9.2
369.13257	4.6
371.14917	5.0
383.14865	60.6
384.15207	3.5
401.16086	17.6
401.21002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01860	2.3
55.05486	2.0
55.45425	1.2
57.03413	2.5
67.05492	4.2
69.03419	3.4
69.07064	1.7
70.41055	1.9
70.41415	4.2
79.05498	8.2
81.03387	2.7
81.07043	5.2
83.04967	2.8
85.02888	4.9
87.04478	1.2
91.05475	7.2
93.07028	5.6
95.04957	4.1
95.08587	3.9
97.02914	3.0
105.07013	5.8
107.04946	15.4
107.08590	3.0
109.02864	2.6
109.10163	2.4
111.04436	1.7
111.08059	1.8
113.09684	1.4
115.05473	1.4
117.07010	2.4
119.04960	1.4
119.08552	3.6
121.06457	2.0
121.10115	2.9
123.04414	3.1
123.08005	2.1
124.05192	2.2
125.06010	2.0
125.09583	1.3
129.06993	3.1
131.05031	1.2
131.08545	4.3
133.02786	1.9
133.10107	2.0
135.11656	2.8
136.07585	1.5
137.05905	3.0
137.09578	2.0
141.06978	2.5
144.05643	2.2
145.06467	2.5
147.04463	2.2
147.11691	2.6
149.09607	4.5
151.07457	2.1
152.04689	1.5
153.01804	4.9
156.05681	3.4
158.07440	1.2
159.08047	3.6
161.05946	1.8
163.03885	2.6
163.11229	1.8
165.06999	1.8
165.09082	2.2
166.50919	1.1
167.07037	37.2
169.06465	1.4
170.07256	1.9
173.06067	1.5
175.07356	1.2
177.05528	1.4
181.04933	2.9
181.06483	2.3
181.08417	1.5
181.10069	1.6
182.07291	1.2
187.07497	3.4
189.08995	1.5
191.06996	2.0
191.08571	3.3
193.06541	1.4
193.08566	2.0
193.10236	1.4
194.07204	1.6
195.06393	1.5
195.08011	3.0
198.06726	2.4
201.09059	2.2
202.07825	2.1
203.08611	1.3
205.06682	1.7
205.08582	4.0
205.82999	1.2
206.07295	1.8
207.06329	1.7
207.08081	2.9
208.05206	5.3
208.08832	2.9
209.09744	1.7
210.06683	1.9
215.48099	1.4
217.08525	7.8
218.07211	3.6
219.08028	9.7
219.10184	4.1
220.08841	3.2
221.05963	3.9
221.09653	2.7
222.06725	5.8
223.07629	1.9
225.05504	1.5
229.08609	1.8
231.07971	4.4
231.10126	1.6
233.05930	2.3
233.09543	2.8
234.06784	2.5
234.10426	1.6
235.07460	4.2
236.04594	2.8
236.08337	8.6
237.05389	2.1
237.09119	5.9
238.06177	2.3
239.07007	3.8
239.15918	1.5
239.20074	3.4
240.07855	1.5
246.06801	2.3
247.07549	10.5
247.09682	2.8
248.08366	7.1
249.05453	3.2
249.09117	3.6
250.06131	3.4
250.09822	1.9
251.07124	3.0
251.10678	3.0
252.07735	7.4
253.08522	5.6
253.12210	1.3
254.05760	3.1
254.09279	5.2
255.06470	2.7
255.10001	1.6
256.07343	1.9
259.07538	1.7
261.09113	2.9
262.06168	1.9
262.09940	3.8
263.06982	4.9
263.10648	5.1
264.07785	9.3
265.08588	13.6
266.09396	2.0
267.06491	4.3
267.10010	1.5
269.08051	9.7
271.09634	3.5
275.07016	2.6
276.07755	4.2
277.08517	5.2
278.05673	3.0
278.09329	2.0
279.06815	2.1
279.10135	8.7
280.07205	5.7
280.10516	2.8
281.08130	3.1
281.12009	1.2
282.05850	1.8
282.08856	9.9
283.09561	3.7
284.06717	3.3
285.07681	2.1
286.05118	1.2
286.08325	2.2
289.08438	2.6
290.09448	2.4
291.10114	8.5
292.07220	5.0
292.10510	2.4
293.08054	8.8
293.11270	2.1
294.08768	3.4
295.06122	2.2
295.09531	3.0
296.10474	1.7
297.07593	5.6
297.11172	9.2
298.08316	4.6
299.09109	34.9
300.09668	2.5
305.08090	4.6
306.08966	2.0
307.09598	10.3
308.10254	5.5
309.07761	1.9
309.11191	3.6
310.08517	7.4
310.11707	1.9
311.09091	9.2
311.12585	3.1
312.09750	1.4
313.10712	27.8
314.11145	2.6
315.08606	21.2
315.12015	2.6
319.09592	4.4
320.06311	1.5
320.10205	1.4
321.07626	3.0
321.11130	3.7
322.11783	1.9
323.09055	5.3
323.12787	5.7
324.09863	3.1
325.10699	15.3
326.11270	4.7
327.12216	3.9
328.09372	2.2
330.10925	26.1
331.11545	3.8
335.09015	1.7
336.09888	2.6
337.10541	4.5
338.11517	3.1
339.12338	12.5
340.12927	3.0
341.13693	5.5
343.11719	37.8
344.12213	1.6
351.12228	18.8
352.12927	4.4
353.10065	2.3
353.13916	2.0
355.11700	2.5
356.12421	1.4
357.13281	3.1
358.14090	100.0
359.14328	5.0
365.13837	1.6
368.12534	4.2
369.13318	18.2
370.13837	2.8
371.14771	6.0
372.15726	1.7
383.14859	40.6
384.15106	3.3
393.89435	1.6
401.15900	24.5
401.20978	6.0
402.16122	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	401.1592
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
53.03934	3.7
55.01857	4.2
55.05511	2.7
56.14187	1.3
63.69550	1.6
65.03927	3.8
67.05503	7.0
69.03420	4.2
69.07059	1.6
69.63419	9.9
70.06587	3.8
71.04979	2.8
78.04718	1.5
79.05484	15.1
81.03390	2.8
81.07048	7.2
83.04972	4.4
85.02896	4.8
85.88351	1.5
89.83875	1.5
91.05472	5.7
93.03403	1.8
93.07055	4.3
95.04958	16.8
95.08587	4.1
97.02861	1.8
97.06525	2.9
98.21436	2.2
103.05464	4.2
105.04574	1.8
105.07014	5.7
107.04945	24.5
107.08614	4.6
109.02892	2.7
109.06539	4.0
111.04430	3.2
111.08094	2.2
113.02362	1.7
115.03069	1.5
115.05434	6.4
116.06224	1.5
117.07030	3.1
119.08587	4.9
121.02840	2.2
121.06499	5.1
121.10152	6.2
123.04425	11.6
123.11716	3.6
124.05216	3.5
125.05978	2.7
127.03947	2.1
128.06204	7.4
129.07024	9.9
131.04926	2.3
131.08527	7.3
133.02898	2.7
133.06514	1.8
133.10133	3.1
135.04427	2.4
137.05949	5.4
139.03876	2.7
139.05440	1.6
139.11147	1.8
140.04663	3.8
141.06979	11.6
142.07761	4.5
143.08508	3.3
144.05707	6.7
145.02861	2.6
145.06451	6.9
147.08037	3.4
147.11678	2.2
149.06017	3.3
149.09567	2.2
151.03886	7.6
151.11086	2.0
152.04640	3.1
153.01913	1.7
153.05444	2.9
153.07014	2.1
155.07048	3.5
156.05721	5.3
157.06471	6.4
158.07191	2.5
159.08049	14.5
160.05199	2.4
161.06012	3.2
161.09720	2.0
167.07025	38.4
167.10637	2.3
168.04211	3.7
169.06369	3.1
169.12259	1.5
170.07268	23.1
171.07945	7.7
173.04504	2.3
173.05984	4.3
174.06793	2.6
175.07504	4.5
177.05511	8.7
179.07042	2.3
181.04924	8.1
182.05615	1.9
182.07280	1.5
183.06538	24.6
183.08086	2.5
184.05264	2.1
185.05959	2.7
187.07535	14.1
189.05415	5.2
189.07002	2.4
189.09123	3.5
190.07803	1.9
191.07011	3.3
191.08562	2.5
192.09441	2.1
193.08606	2.8
193.12172	1.5
197.11752	5.8
198.06805	4.0
199.07614	4.3
201.05354	2.7
202.06264	3.7
203.06961	14.4
203.08508	2.6
204.07803	1.9
205.06627	2.0
205.08476	3.6
206.07285	3.4
207.08153	2.0
211.13425	2.1
215.08768	2.0
216.07742	9.4
217.08568	20.5
218.07298	3.8
218.09401	13.6
219.08028	8.0
219.10085	38.7
220.08806	3.3
221.09607	1.8
221.15407	2.9
228.08446	1.5
231.08043	9.4
231.10196	30.1
232.10965	2.2
233.06071	2.3
233.09714	3.0
234.06795	3.7
235.07582	3.1
236.08345	2.9
239.16435	2.3
245.09558	2.9
246.06691	2.5
247.07553	9.9
247.09773	2.0
248.08292	9.1
249.05359	2.0
249.09094	7.0
251.10710	2.3
253.70509	1.5
259.07578	1.8
260.08224	2.4
261.09045	2.7
262.06299	3.6
262.09824	1.7
263.06985	3.7
263.10684	4.9
264.07861	5.0
265.08588	3.1
266.09412	1.6
275.07016	3.0
276.07809	6.3
277.08566	10.8
278.09369	2.3
279.07034	2.1
279.10199	9.1
281.08218	1.8
281.11670	2.2
283.09552	1.6
289.08777	2.7
290.09305	2.0
291.06891	1.6
291.10135	9.6
292.07309	5.1
293.08072	6.4
294.08618	2.0
295.09686	2.9
305.08194	4.4
306.05359	1.5
306.08878	2.0
307.09634	14.1
308.10403	6.2
309.07748	1.5
309.11179	4.0
311.12769	3.0
315.08752	2.3
318.09024	2.1
319.09628	4.6
322.08292	1.8
323.09103	4.0
323.12753	5.4
336.09818	2.5
337.10672	9.4
338.11499	2.6
339.08508	2.8
339.12250	3.5
341.13699	3.5
351.12256	5.7
353.10095	2.7
355.11911	3.2
369.13315	34.7
370.13928	2.4
383.14935	7.0
401.15979	100.0
402.16403	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01862	3.3
57.03439	3.6
59.18159	1.9
67.24380	2.4
69.03415	4.2
69.07044	2.8
69.38681	14.6
69.39104	5.5
70.06586	19.7
78.04703	2.6
79.05485	22.6
81.03407	3.9
81.07047	3.5
85.02895	8.7
86.09691	2.5
91.05476	9.7
93.07026	3.9
95.04968	7.6
95.08599	3.3
97.02867	4.7
98.20793	4.6
103.05437	2.8
105.03387	7.6
105.07019	5.5
107.04950	34.3
109.02853	3.5
111.04396	2.6
115.04012	2.6
115.05442	6.6
116.06206	3.7
117.07018	3.8
119.08631	2.4
121.06490	3.6
122.03646	3.5
123.04404	6.7
123.08028	4.8
124.05198	5.2
125.06014	4.0
127.03937	4.6
128.06262	4.8
129.06978	7.1
131.04919	5.8
131.08565	11.8
133.02869	2.2
135.04398	21.8
136.07619	3.1
137.05963	5.8
137.09605	2.1
141.06958	3.4
144.05679	8.5
145.04958	2.5
145.06464	6.2
147.04367	4.1
149.05988	4.2
151.03886	5.0
151.07541	2.3
152.04686	3.6
153.05440	4.4
153.06641	3.3
156.05672	9.9
157.06522	4.9
158.07253	2.8
159.08009	14.9
161.05925	4.8
163.03856	5.2
165.05568	2.0
165.06973	2.8
167.07031	94.7
169.06453	5.1
173.05972	5.4
175.03961	3.0
175.07477	3.3
177.05530	11.5
179.07005	6.0
181.04961	9.2
181.08504	3.6
186.06766	7.2
187.07532	10.5
190.06186	4.8
191.06966	4.1
191.08560	6.9
192.04181	3.0
195.06410	3.4
201.09109	3.8
202.06099	2.8
202.07751	3.6
203.08614	5.7
205.06622	4.4
205.08551	12.6
207.06494	9.8
207.08189	4.8
207.09880	2.1
208.05209	22.8
210.06642	3.6
215.08708	2.5
217.08521	18.4
218.07382	5.4
219.08086	15.6
219.10023	3.9
220.08867	6.4
221.05957	5.5
221.11760	3.5
223.11458	2.3
229.08632	9.6
230.07198	4.6
231.07948	9.3
231.09966	2.6
232.08937	2.9
233.06065	2.5
233.09543	6.6
234.06709	4.8
235.07465	7.5
236.04584	7.1
236.08347	7.5
237.09138	4.2
244.08812	3.6
245.09532	5.5
246.06812	3.1
247.07617	16.3
247.09505	14.4
248.08273	16.2
249.05440	5.7
249.09001	5.4
250.06233	2.6
251.06866	3.4
251.10640	4.7
254.05730	8.4
256.07227	4.3
260.08337	3.5
261.09045	8.6
262.06073	3.2
262.10031	4.9
263.07034	5.4
263.10614	13.5
264.07758	12.3
265.08481	7.0
266.05692	3.0
267.06506	13.3
269.08066	25.2
271.05923	2.9
271.09653	10.1
272.06680	2.9
275.06998	11.8
276.07819	11.0
277.08423	8.3
279.07080	2.6
279.10095	14.9
280.07541	2.4
281.08221	3.3
282.05597	3.5
282.08826	17.2
290.09308	8.9
291.10083	20.5
292.07260	7.2
293.08084	15.3
293.10941	2.6
294.08707	3.1
296.10382	2.6
299.09085	7.1
300.06439	2.9
300.10083	2.3
301.07047	6.1
301.18741	2.6
305.08051	4.3
306.08911	4.3
307.09601	18.2
308.10394	9.1
309.07559	3.7
309.11157	2.1
310.08426	14.3
311.12732	3.4
313.10791	2.7
315.08612	85.2
315.12396	4.1
316.09177	5.1
318.08798	3.5
319.09573	15.1
320.06793	3.0
321.07437	7.5
322.08374	3.4
323.09192	4.0
323.12686	18.8
328.09436	8.4
330.10962	98.9
331.11664	16.8
336.09805	8.3
337.10675	9.2
339.12244	11.6
343.11676	25.3
350.11588	2.8
351.12213	35.2
352.12769	8.4
353.10132	9.9
356.12497	4.8
368.12506	15.5
371.14703	7.1
383.14886	100.0
384.15051	8.3
401.16470	16.8
402.15710	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	401.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01861	0.9
55.05499	2.3
57.07055	1.6
58.16182	0.5
58.20731	0.5
65.03928	1.4
67.03674	0.5
67.05490	2.1
68.99792	1.5
69.07071	3.5
70.06584	2.2
71.04967	0.6
71.08630	0.5
71.51601	0.8
74.93071	0.5
78.67569	0.5
79.05502	2.7
81.03397	0.6
81.07059	6.3
83.08597	1.6
85.06540	3.3
87.04470	1.3
88.07201	0.4
88.07639	4.0
91.04911	0.8
91.05482	15.5
93.07039	4.5
95.04952	3.4
95.08607	6.5
97.02890	0.7
97.06491	0.7
97.10149	1.1
97.85565	0.5
102.09182	1.6
103.05480	0.7
105.07033	2.7
107.04960	4.6
107.08582	5.8
109.06498	1.6
109.10152	3.0
119.04917	0.8
119.08577	4.4
121.02857	1.5
121.06557	0.7
121.10150	4.5
123.04426	1.2
123.11676	1.8
125.05995	1.5
131.08572	1.0
133.10141	3.4
134.03638	2.1
135.05548	0.7
135.11682	3.2
137.05968	9.6
137.13159	0.7
145.10092	1.8
147.00769	1.3
147.11653	2.5
149.05988	9.6
149.13249	2.4
150.03110	6.0
151.11172	2.8
151.51587	0.6
153.05444	1.3
154.36774	0.5
157.10129	0.8
159.11693	1.8
161.13251	3.0
163.03874	0.8
163.14818	1.9
165.05469	2.2
167.03380	2.1
167.07065	0.9
169.10025	0.6
173.13275	1.1
175.14824	1.6
177.12791	1.0
178.02614	13.5
179.03397	3.4
179.14349	0.7
181.05003	1.0
185.55743	0.6
187.14804	1.2
189.16394	4.1
191.17949	1.9
193.04962	77.5
194.05365	2.4
207.17459	1.1
221.04448	100.0
222.04788	3.2
267.10217	1.0
294.35278	0.7
338.34137	2.0
339.34579	1.7
383.32996	1.7
400.37930	5.6
401.30139	0.8
401.34189	1.1
401.38373	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	399.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11013	3.0
55.01864	2.9
55.05513	23.0
57.07055	6.5
67.05500	28.7
69.07071	24.8
69.92737	6.1
69.93133	8.6
71.04976	3.4
71.08649	4.2
78.47775	2.9
79.05487	18.3
81.07053	47.5
83.04983	7.9
83.08591	12.2
85.06538	8.4
91.05466	19.1
93.07044	48.4
95.08607	100.0
97.06507	3.9
97.10146	7.2
99.04427	7.6
101.06004	5.4
105.07034	36.4
106.65148	3.1
107.08585	67.8
109.06431	3.7
109.10160	49.1
111.08088	7.7
111.78631	3.3
117.06941	4.4
119.08576	44.8
121.10149	54.7
123.11704	16.0
131.08548	7.0
133.10132	30.1
135.08049	3.9
135.11681	49.0
135.26639	2.9
135.38583	3.0
137.13242	9.3
143.08612	3.6
145.10110	10.8
147.11684	36.6
149.13271	36.0
157.10115	5.2
159.11729	15.3
161.13278	20.4
163.11200	4.9
163.14854	15.5
165.12692	4.1
167.07072	3.1
173.13232	11.5
175.14774	11.2
176.41389	3.3
177.12744	14.8
177.16385	6.3
181.04955	13.5
181.12244	6.6
185.13248	3.7
187.14873	3.2
189.16399	13.6
191.14319	8.8
191.17941	52.4
192.07957	3.0
195.13802	21.1
201.16368	7.8
203.17986	17.4
205.19531	7.4
207.13763	9.3
209.15332	18.2
215.17863	3.2
217.19553	17.0
227.17834	4.5
243.21069	3.4
275.20288	3.3
289.21564	3.7
381.31509	7.4
399.08539	10.6
399.25552	3.7
399.27335	4.9
399.32608	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.05525	21.6
57.07068	8.4
59.04986	3.4
67.05508	27.8
69.07076	23.9
70.42808	3.2
70.43159	9.6
71.04961	4.4
79.05482	18.9
80.83863	2.5
81.07056	67.1
83.04987	5.4
83.08618	4.8
85.06527	8.4
91.05477	20.5
93.07040	55.1
95.04937	5.5
95.08606	100.0
97.10152	8.3
99.04447	5.3
101.06030	6.2
105.07034	34.6
107.08599	75.3
109.06490	8.0
109.09461	5.5
109.10154	51.2
111.08010	3.8
117.07024	8.0
117.68299	2.5
119.08581	50.2
121.06545	2.8
121.10143	63.6
123.08026	3.6
123.11717	19.2
123.12472	2.7
129.05515	2.9
131.08549	10.8
133.10135	37.2
135.08086	4.3
135.11696	54.6
137.13260	5.9
145.10144	12.1
147.11699	41.5
149.09621	5.8
149.13252	33.9
151.07681	2.9
153.90645	3.0
157.10069	3.3
159.11713	15.6
161.09633	3.8
161.13193	17.7
163.11247	7.0
163.14830	13.2
167.03357	3.8
167.07051	5.5
171.11830	4.5
173.13277	9.7
175.14818	13.0
177.12773	12.7
177.16333	6.4
181.04935	40.5
181.12283	8.8
187.14825	6.5
189.16417	11.2
191.14391	7.1
191.17950	55.8
191.31490	2.8
193.05034	7.1
193.12265	4.8
195.13780	18.0
201.16386	6.7
203.17953	35.2
205.19418	5.9
207.13795	10.7
207.17499	2.9
209.08032	3.6
209.15337	20.4
217.19479	21.2
221.15276	6.4
227.17891	3.7
245.19290	3.1
263.15524	3.0
275.19986	3.0
303.22992	3.0
371.05399	5.1
381.31366	8.0
399.08691	19.7
399.25293	6.8
399.32657	53.2
400.08936	3.5
403.64899	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05508	4.0
57.07055	3.0
61.83701	0.7
67.05502	8.8
69.03413	1.7
69.07066	7.5
69.94206	1.2
69.94619	2.2
70.63151	0.6
71.04965	0.8
71.08629	1.1
79.05490	5.5
81.06599	1.1
81.07049	19.0
81.89292	0.7
83.04979	0.8
83.08613	3.3
85.06548	1.4
91.05477	5.7
93.06487	1.2
93.07037	13.5
93.07630	0.7
95.08604	25.0
97.06525	2.1
97.10143	2.4
98.20805	0.8
101.06015	1.4
105.07029	13.2
107.08578	21.9
109.06527	2.7
109.10148	16.0
111.11712	0.8
117.07012	3.5
119.08572	16.3
121.06494	3.6
121.10137	16.2
123.08058	1.8
123.11692	10.1
125.09572	1.0
129.05521	0.8
129.06964	1.3
131.08559	5.2
133.10107	12.0
135.08031	2.0
135.11684	18.7
137.13229	3.6
142.07759	0.9
143.08566	2.2
144.09348	1.5
145.10121	5.6
145.39789	0.7
147.08038	1.4
147.11676	13.4
149.09630	0.9
149.13252	6.9
151.11172	2.1
155.08469	1.0
156.09372	0.7
157.10149	2.5
159.11684	17.2
159.12894	1.2
161.09550	0.8
161.13248	5.9
163.11157	1.8
163.14821	4.3
167.03447	1.0
171.11667	1.8
173.13213	4.9
175.11172	1.9
175.14842	3.1
177.12735	16.4
177.16402	2.4
181.04953	6.0
185.13210	1.4
187.14838	2.5
189.12741	1.8
189.16373	4.7
191.10712	1.5
191.14337	5.2
191.17921	15.1
193.04976	0.8
195.13869	1.1
197.13257	1.0
199.14839	0.9
201.12755	1.1
201.16391	2.5
203.14305	1.9
203.17961	7.4
205.19478	2.2
207.13846	1.6
209.13405	1.0
209.15414	2.1
213.16383	1.2
215.14384	1.8
215.18010	1.6
217.15883	1.1
217.19470	3.2
219.17557	0.9
229.19548	1.4
231.17546	0.8
231.21062	0.8
239.17921	0.7
241.19679	0.9
243.17741	0.7
245.18961	3.9
259.20605	1.3
271.20563	0.9
285.22168	0.8
297.22156	1.2
313.25165	0.9
325.25006	0.7
363.30530	2.1
371.05573	0.9
381.31525	24.5
399.08578	5.7
399.32571	100.0
400.08884	1.2
400.32913	3.2
408.89014	1.0
413.29651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22006	4.6
53.00241	4.8
55.01875	6.3
55.05500	13.7
57.07069	6.5
61.87142	4.9
67.05495	27.6
69.03419	5.1
69.07050	23.0
71.53432	9.3
75.27146	4.6
79.05482	24.4
81.07052	77.4
83.04977	5.1
83.08608	8.7
85.06554	31.7
91.05471	26.9
93.07043	63.1
95.04948	6.0
95.08598	100.0
97.06526	6.7
105.07037	45.9
107.08581	80.7
109.06536	6.0
109.10141	46.1
110.18193	4.4
111.08012	4.9
113.09536	5.8
117.07004	8.1
119.08591	60.7
121.10143	77.0
123.11682	30.6
129.06975	7.5
131.08569	27.6
133.10107	55.6
135.10678	9.2
135.11681	77.1
137.13254	22.3
142.04872	5.8
143.08673	6.5
145.10143	38.4
147.11694	46.0
147.75897	6.1
149.13252	29.9
157.10135	9.6
159.11687	45.1
161.13246	27.3
163.14795	23.7
167.07011	6.9
169.10150	6.5
171.11720	15.4
173.13266	43.2
175.14801	23.1
177.12680	6.0
177.16379	6.9
179.14328	5.9
181.04965	15.6
182.05275	8.5
184.34448	5.0
185.13229	14.7
187.14810	36.5
189.16353	37.6
191.14294	11.3
191.17900	11.4
197.13280	6.6
201.16368	17.6
203.17949	13.9
207.17393	41.0
213.16371	10.4
215.18001	9.6
227.17938	15.6
229.19537	8.7
239.17712	5.8
241.19490	7.8
245.18941	18.1
245.22679	7.7
247.20570	11.3
253.19330	5.7
255.21054	10.7
257.22733	5.9
259.20660	13.2
363.30423	16.0
371.05408	6.5
381.31293	87.0
381.35187	12.5
399.08575	28.9
399.25827	4.8
399.32089	68.6
399.36444	12.3
399.43683	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	399.3257
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
50.15207	0.8
50.25691	0.8
52.99083	0.9
53.03944	1.0
55.05509	6.6
57.03423	0.9
57.07058	3.3
67.05493	9.3
69.03423	1.3
69.07066	9.9
70.60790	0.8
70.86486	1.8
71.05007	1.2
71.08619	1.2
75.76086	0.8
79.05494	6.0
81.07056	27.0
83.04976	1.9
83.08610	4.1
85.06525	1.4
91.05479	8.3
93.07040	18.2
95.04945	1.6
95.08605	37.0
97.06522	1.3
97.10143	2.0
101.05999	1.4
105.07026	14.6
107.07881	1.7
107.08591	28.3
109.06511	3.8
109.10155	19.3
110.21499	0.7
111.08035	0.9
117.07012	2.8
119.08584	21.7
121.06533	4.2
121.09340	1.5
121.10145	20.4
123.08076	1.7
123.11709	10.9
125.09569	0.9
129.05548	0.9
131.08534	5.5
133.10120	14.4
135.04391	0.9
135.08076	3.2
135.11693	25.3
136.12120	0.9
136.14796	0.7
137.09612	0.8
137.13257	4.3
143.08524	1.0
144.09354	2.5
145.10136	6.4
146.49338	0.9
147.08014	1.3
147.11674	15.4
149.09644	1.4
149.13254	11.2
150.71111	0.7
151.11183	1.9
153.09055	0.9
157.10146	2.4
159.11702	14.9
161.09621	1.2
161.13245	8.1
163.11084	1.6
163.14853	5.6
165.12724	1.4
167.03354	1.9
167.07095	1.6
171.11652	1.8
173.13246	4.7
175.11252	1.6
175.14873	4.2
177.12732	15.8
177.16370	2.2
178.13078	0.8
181.04958	10.0
181.12292	0.8
184.07372	0.9
185.13242	1.7
187.14783	1.8
189.12756	1.8
189.16327	3.8
191.10611	1.9
191.14302	7.5
191.17950	24.1
195.13815	2.5
201.12729	1.4
201.16377	3.0
203.14297	2.5
203.17961	10.2
205.19484	2.1
207.13800	2.0
209.13571	1.0
209.15303	5.0
213.16353	1.7
215.14265	2.2
215.18030	1.4
217.15776	1.5
217.19431	5.0
227.18008	0.8
229.19559	1.8
231.21136	1.1
239.18057	1.1
241.19484	0.9
243.20831	1.0
245.19078	2.6
257.18979	1.9
259.20633	1.4
261.23529	0.8
267.21216	0.8
273.22202	0.9
363.30438	1.4
371.05533	1.5
381.31546	21.4
399.08713	5.8
399.32590	100.0
400.09149	1.3
400.32904	5.6
400.37637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01871	10.6
55.05508	19.1
57.03440	11.3
57.07060	7.4
59.04996	5.3
61.02925	5.8
65.03935	5.3
67.05499	35.5
68.99781	6.1
69.03429	34.5
69.07073	39.0
69.66196	30.6
71.04984	7.8
74.31688	4.5
75.14137	4.8
79.05497	37.9
81.03427	25.7
81.07054	61.9
83.04980	13.7
83.08620	10.4
85.02903	47.0
85.06544	7.4
91.05475	33.7
93.07046	56.2
94.76511	4.3
95.04969	19.3
95.08607	61.5
97.02879	25.4
97.06513	35.8
97.10170	8.1
98.20837	5.0
99.04468	9.8
105.07027	65.8
107.04963	12.1
107.08589	54.8
109.02882	15.6
109.06514	19.3
109.10159	53.5
111.04447	7.7
111.08099	11.8
111.11700	7.1
113.05988	5.5
115.05499	4.9
117.06985	12.6
119.08581	33.6
119.10596	4.8
121.06554	10.7
121.10152	42.9
123.04426	8.3
123.08079	16.9
123.11716	10.8
125.05970	7.2
125.09622	13.5
127.03948	19.8
127.07549	4.4
127.11068	5.1
129.06992	11.8
131.08585	29.5
133.06490	4.7
133.10133	71.1
133.44969	4.4
135.08052	15.5
135.11682	26.6
137.05936	5.3
137.09641	6.8
139.11179	10.7
145.04950	9.1
145.10147	42.4
147.04382	4.5
147.11694	19.9
149.09605	5.2
149.13263	12.4
151.07533	5.9
151.11174	4.5
153.01814	100.0
153.07018	4.0
153.09142	4.4
157.10106	4.9
159.11665	31.0
161.05994	9.1
161.09604	6.7
161.13319	21.0
163.11226	13.5
165.01851	5.8
167.07077	7.8
171.11729	5.1
173.13242	8.8
175.07559	4.0
175.14856	7.8
177.12679	6.0
181.05003	4.6
185.13252	5.1
187.14836	6.8
191.10608	5.8
191.17950	9.6
199.07536	5.5
199.11273	4.9
201.16402	38.3
205.85712	5.1
207.65175	4.2
219.17441	32.8
229.05028	5.5
237.14825	5.6
237.18466	28.1
255.06564	13.7
269.04645	7.0
273.07626	18.4
299.05386	4.9
313.03467	19.2
327.04950	10.4
335.09256	6.5
355.08038	20.2
363.08789	6.2
381.09650	34.8
382.10135	5.9
399.05527	7.7
399.10580	62.0
400.11206	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	399.2376
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
50.88595	2.5
53.03927	12.0
55.01867	7.8
55.05509	44.8
57.03425	9.8
57.07065	6.4
59.04992	6.8
59.21127	2.4
59.69658	2.7
61.02916	15.9
67.05506	20.8
69.03431	64.7
69.07072	20.4
69.49822	11.9
69.50245	9.7
70.06581	4.2
71.04976	12.2
71.08632	2.7
71.56530	3.3
73.02912	7.3
79.05491	14.0
81.03405	22.2
81.07066	28.7
83.01350	3.1
83.04989	16.9
83.08623	36.0
85.02905	100.0
85.06522	7.1
87.04457	4.7
91.03947	9.3
91.05479	23.8
93.07043	50.6
95.04958	10.2
95.08601	40.8
97.02894	31.7
97.06523	10.0
97.10159	28.5
99.04441	10.5
105.07023	33.7
107.04948	6.8
107.08596	32.3
109.02880	16.6
109.06506	15.5
109.10152	26.3
111.04417	4.2
111.08050	8.9
113.09648	8.9
115.05428	4.6
117.07024	7.3
119.04961	3.6
119.08560	32.8
121.06487	18.2
121.10131	28.2
123.04390	5.4
123.08105	14.0
123.11691	8.2
124.03987	3.9
125.09666	6.8
127.03912	22.7
127.11218	6.8
128.06154	3.6
129.06975	4.1
131.08568	15.6
133.06534	4.1
133.10112	18.8
135.08070	25.5
135.11664	10.8
137.05997	6.6
137.09605	6.6
137.13182	3.7
141.12709	7.1
143.08528	6.9
145.04942	13.3
145.10114	23.5
147.04417	5.5
147.08043	6.7
147.11667	10.1
149.09665	17.5
151.11150	5.2
153.01793	5.2
157.10085	4.7
159.08116	4.5
159.11696	15.4
161.09590	7.9
161.13245	10.9
163.11154	9.5
165.09062	3.3
170.09467	2.8
173.13271	6.2
177.12721	7.0
191.17844	3.9
201.16341	11.1
205.15729	3.3
207.06592	3.5
219.13716	5.0
219.17450	54.9
220.17570	3.1
221.18973	6.3
229.15326	3.3
237.14861	10.0
237.18481	63.5
237.62155	3.1
301.93134	3.0
355.08002	7.8
381.22571	8.0
386.21088	3.6
399.19894	13.5
399.24167	7.0
400.08411	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	399.2013
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
50.05714	0.6
53.03924	2.1
55.01864	4.4
55.05489	1.7
57.03404	3.1
57.07051	0.9
59.08642	0.7
61.02934	4.5
65.03912	1.0
67.05469	2.7
69.03429	15.6
69.07036	2.3
69.44074	3.6
69.44514	2.2
70.06554	2.2
71.04953	3.1
71.98567	0.7
73.02873	2.2
77.13701	0.7
79.05501	4.5
81.03416	6.5
81.07056	6.4
83.01318	1.1
83.04955	3.0
85.02898	26.9
85.06544	3.4
87.04416	2.6
91.03922	1.8
91.05463	5.1
93.07039	7.8
95.04961	4.3
95.08575	2.3
97.02882	10.7
97.06490	2.4
99.04465	3.9
99.08072	1.0
101.05978	0.9
105.07021	6.8
107.04912	2.4
107.08582	5.5
107.09177	0.8
109.02869	5.1
109.06525	7.2
109.10101	2.1
111.04415	1.3
111.08015	1.0
115.05470	0.8
117.06970	3.7
119.04890	1.1
119.08566	6.7
119.25455	0.6
121.02863	3.4
121.06497	3.8
121.10137	7.8
123.04446	1.6
123.07999	3.3
124.76209	0.7
125.05965	0.7
125.09622	1.0
127.03895	6.6
127.07560	0.9
128.06201	0.9
129.05389	1.3
129.06973	2.3
130.07785	0.9
131.04868	1.0
131.08568	8.2
133.10126	6.2
135.08038	8.7
135.11636	3.7
137.02341	13.8
137.03346	1.1
137.05957	4.6
138.02620	1.2
139.07520	1.6
141.01794	1.3
142.07761	1.5
143.08533	1.7
144.09366	4.1
145.04909	3.8
145.10039	2.3
147.04366	1.1
147.08073	0.9
147.11642	1.4
149.09569	2.3
149.13210	2.1
151.07527	6.1
153.09016	0.9
157.10144	1.6
158.10843	1.0
159.04329	0.9
159.08046	1.5
159.11676	23.1
161.02321	1.0
161.09665	6.1
161.13365	0.9
163.03850	1.6
163.07520	9.4
165.01877	0.8
168.09352	0.8
171.11630	1.2
173.13229	2.7
175.03842	1.7
175.11201	1.4
177.09163	0.9
177.12738	7.6
181.08571	9.3
183.11642	0.7
187.03903	0.9
189.01805	2.1
189.12825	1.4
191.10649	0.7
191.14256	3.1
201.12709	2.3
203.03386	1.6
203.05162	0.9
219.13785	22.3
219.17239	1.3
229.15567	0.8
237.14835	100.0
238.15192	4.4
265.04865	0.9
279.06418	0.9
285.03833	0.9
287.05307	0.8
299.05496	1.4
303.05005	1.6
307.06125	0.9
311.05481	1.5
315.04993	13.5
316.05490	1.3
325.07040	1.1
327.05103	4.0
329.06613	3.0
339.04980	15.6
340.05319	2.7
341.06616	4.9
342.07025	1.0
353.06439	6.0
357.06284	1.1
369.06009	5.5
372.49701	0.7
377.01797	0.8
381.05975	15.6
382.06378	1.8
399.07141	20.0
399.20132	36.1
400.07663	2.3
400.20538	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	399.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	38.5
59.04984	62.9
69.03419	56.4
71.04988	20.1
71.08621	17.5
73.06538	17.2
81.03405	43.9
83.04979	80.1
85.02911	68.1
85.06554	17.6
85.07642	25.5
85.10143	19.0
93.07083	17.9
97.02888	61.4
98.97562	23.8
101.06025	100.0
109.02835	19.6
111.04436	22.3
119.07071	20.0
121.02850	17.8
123.04344	22.8
123.69402	16.5
125.02377	32.1
127.03918	39.6
145.04922	22.6
147.06577	22.8
163.03891	22.0
187.06032	18.9
190.44496	21.7
195.05086	23.7
207.06595	23.1
219.01634	16.0
219.06610	25.4
224.05792	18.5
237.02673	22.8
304.04684	17.8
305.12585	17.7
339.08755	17.5
361.77969	16.3
398.29398	16.0
399.03735	23.1
399.08249	31.9
399.12659	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05519	1.3
57.03412	2.4
61.02922	2.6
64.06204	0.9
68.05020	1.4
69.03429	8.3
69.07042	1.0
71.05007	0.9
71.08651	1.4
71.59180	1.0
72.57843	0.8
73.02901	2.6
74.02423	2.9
79.05441	1.0
80.04998	2.8
81.03392	4.9
83.04950	1.2
85.02903	21.6
87.04489	1.7
91.05462	1.8
94.06550	2.2
97.02889	12.4
98.20771	3.0
98.97566	1.3
99.04434	1.8
101.06009	1.0
103.03932	1.5
106.06592	1.1
108.04488	4.9
109.02853	4.2
110.06043	3.1
111.04411	1.4
115.03889	1.3
115.05455	3.0
117.05748	2.3
118.06540	8.0
120.04494	4.1
122.06091	1.5
122.07092	0.9
127.03906	4.2
128.04961	1.8
130.06519	26.8
131.04898	1.4
132.04460	4.7
132.08049	6.0
133.05209	2.3
134.06024	4.3
136.06187	10.8
136.07579	8.4
142.06503	1.7
143.07335	1.2
144.08104	5.1
145.05098	3.0
145.06499	1.3
145.07558	8.3
146.06001	100.0
147.04350	1.1
147.06432	3.7
148.03912	9.0
148.07603	2.3
150.05476	2.2
154.05032	1.2
154.06531	1.5
156.08089	1.9
157.07578	9.5
158.06017	26.8
159.06781	1.9
159.09174	2.0
160.07574	13.7
161.07118	0.9
162.05498	5.5
163.03928	0.9
163.05879	0.9
163.08615	1.3
164.07057	5.6
169.07567	4.7
170.06026	8.1
171.09137	2.6
172.07561	6.3
173.07106	7.3
174.05495	15.1
175.06235	1.2
175.08684	4.6
176.07127	4.2
178.05008	5.3
181.07692	1.0
181.63890	1.2
183.09201	1.5
184.07550	2.9
185.07059	2.6
186.05554	2.1
187.08694	3.8
187.58554	1.0
188.07059	28.4
190.04988	3.0
191.08145	17.9
192.06516	3.8
192.08192	1.2
193.06099	1.1
197.07043	2.0
198.05515	1.5
199.08714	1.1
200.07091	1.1
201.06580	4.0
202.04951	5.5
202.08595	1.7
203.08141	10.0
209.09102	1.5
212.07021	3.0
214.05061	1.1
215.08165	14.7
216.06583	2.4
216.08772	2.1
217.09685	2.1
219.07561	11.7
220.06056	13.8
220.08247	2.2
224.06937	1.6
227.08141	1.2
230.08141	3.9
231.07613	1.2
233.09074	5.2
237.08681	48.0
242.08144	2.5
243.07492	1.7
244.06013	2.6
245.09120	2.0
247.07123	2.6
249.08737	1.2
254.08142	4.3
261.08707	3.7
262.07034	4.2
268.10461	1.7
272.09122	2.8
279.09753	16.5
290.10211	3.6
292.11710	3.3
308.11288	4.6
315.01233	1.3
315.09830	7.2
345.10754	1.1
349.58688	0.9
353.13492	2.2
363.11841	8.1
381.12872	6.3
382.11337	1.7
399.08313	2.7
399.13803	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51514	0.8
53.20819	0.7
55.01862	1.0
55.05474	0.9
56.96560	2.0
57.03424	1.2
61.02929	1.0
69.03421	3.9
70.06596	1.0
71.08614	1.2
71.25721	1.7
73.02887	1.5
81.03407	1.8
83.04979	0.9
85.02916	6.8
91.05447	1.1
97.02888	4.2
98.97586	3.3
101.05998	1.6
108.04471	1.0
109.02878	1.6
115.04002	0.9
116.98615	1.6
118.06498	1.5
127.03929	1.6
128.98619	1.1
129.05482	1.2
130.06520	4.4
132.08121	1.4
134.99625	1.3
135.21318	0.8
136.06152	6.2
137.05901	1.1
142.24614	0.8
144.08020	0.8
145.05077	1.3
145.07663	1.3
146.06000	18.3
147.04488	1.0
148.03905	1.9
150.05487	1.1
152.07080	0.9
157.07617	1.1
158.06003	5.1
158.99722	1.0
160.07648	2.2
162.05562	1.8
162.70392	0.8
164.07077	1.2
170.06009	1.7
173.07158	1.0
174.05547	3.1
188.07126	5.2
191.08174	2.8
192.06454	0.9
201.06665	1.0
203.08240	1.1
210.56210	0.8
212.06190	1.6
215.08159	2.3
216.06598	1.0
219.01965	1.3
219.07593	2.0
220.06052	3.2
233.09277	1.3
237.02820	2.1
237.08792	7.2
256.32895	1.2
279.09863	3.3
290.10001	1.2
315.09540	1.0
339.09335	1.0
363.11816	2.2
399.12622	100.0
400.13107	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	399.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01855	0.7
55.05497	2.5
55.24297	0.5
57.07051	1.1
64.47718	0.5
67.05501	4.3
69.07071	2.8
69.35266	4.0
69.35674	1.2
74.92456	0.6
79.05493	2.0
81.07047	8.5
83.08608	1.4
91.05458	2.5
93.07034	6.4
95.04953	1.9
95.08599	11.4
96.08905	0.5
97.10170	0.7
98.20827	1.3
105.07027	8.2
107.08605	7.1
109.06518	0.7
109.10157	5.4
110.10468	0.7
110.43230	0.6
111.04430	0.7
111.08058	1.1
119.01260	0.7
119.08564	7.7
121.02836	2.6
121.06474	1.5
121.10127	7.4
123.08052	0.7
123.11687	2.1
131.08588	1.0
133.10117	6.7
135.11728	3.2
137.13248	0.6
145.10109	2.1
147.11674	8.0
149.02379	0.6
149.09613	0.6
149.13234	2.6
155.07036	1.6
157.10118	0.9
159.11659	2.0
161.13239	4.4
163.14836	2.0
164.11577	0.8
166.02637	0.7
167.03363	1.5
167.07037	3.9
173.13255	1.0
175.14792	1.9
177.16428	1.0
181.04942	29.1
183.06567	1.4
184.03691	0.6
187.14879	1.1
189.16347	1.3
191.17947	2.9
193.04922	1.2
197.08052	0.9
201.16431	1.7
203.17935	13.8
205.06573	0.6
209.08086	1.7
209.15341	1.1
211.33838	0.7
222.38788	0.7
223.03972	1.7
223.09583	0.9
227.17859	1.2
245.19000	1.3
249.05502	1.2
251.03389	1.9
255.08022	0.8
261.11258	1.2
261.36703	0.6
268.08920	1.1
269.09708	0.8
271.07675	1.4
277.04898	0.7
281.05820	0.8
287.06985	2.2
297.09088	2.0
299.07025	1.8
305.04453	1.5
307.07587	2.0
312.07748	0.6
315.06674	1.4
323.06705	0.8
325.08350	3.5
327.06454	3.2
335.07013	2.0
337.08398	0.8
338.05750	1.0
339.06635	0.7
340.07391	1.0
343.06018	4.8
352.07220	0.7
353.08054	5.9
355.09662	1.4
356.06854	1.6
357.07281	0.8
364.07394	0.8
371.05414	26.5
371.09061	2.0
372.05881	1.4
380.06363	0.7
381.07614	10.2
381.24268	1.8
381.34869	0.8
382.08203	2.0
384.06339	1.4
398.35031	1.4
399.08609	100.0
399.25266	8.3
399.32135	2.4
400.08987	6.5
413.06491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05497	1.0
57.07088	0.4
67.05495	1.5
69.07050	0.6
69.24980	4.4
71.08619	0.5
79.05493	0.7
81.07069	2.1
83.04976	0.5
85.06541	0.6
86.09706	0.5
87.17020	0.4
88.97345	0.4
89.14017	0.4
91.05473	1.2
92.26369	0.4
93.07054	1.6
93.47762	0.5
95.04961	0.6
95.08609	2.9
98.21538	0.9
102.25858	0.5
105.07029	1.3
107.08613	2.0
109.10156	2.2
111.04430	0.6
112.73283	0.4
119.01227	0.5
119.08583	1.6
121.02875	2.9
121.10133	1.7
123.08051	1.3
123.11685	0.9
125.09623	0.7
131.08597	0.6
133.10114	1.1
135.11665	1.3
145.10098	0.8
147.11691	1.4
149.02342	0.5
149.13278	0.7
157.10236	0.4
159.11700	0.8
161.13208	0.8
161.41142	0.4
166.35396	0.4
175.14796	0.7
177.16377	0.5
181.04945	1.0
191.17963	0.4
209.05931	0.6
221.05896	0.5
223.03896	1.8
233.05833	1.0
249.05428	1.0
251.03354	2.3
251.06949	0.5
255.07983	0.8
259.07620	0.9
269.09558	1.2
271.07504	1.0
277.04968	0.8
278.05652	0.6
279.06448	0.8
279.08133	0.8
281.09775	0.6
284.08273	0.5
287.07022	2.0
295.07471	0.5
297.06241	0.4
297.08939	2.2
299.06961	2.5
300.07513	0.5
305.04437	1.8
307.07645	1.2
308.08206	1.0
309.09119	0.7
311.06992	1.0
315.06473	1.1
325.04993	0.9
325.08572	3.5
327.06442	3.2
327.09955	0.6
328.07135	0.6
332.43967	0.5
335.07028	2.0
336.07468	0.7
338.05701	0.9
339.06595	0.9
340.07178	0.7
342.04874	0.6
343.06076	5.1
353.08084	4.5
354.08539	0.5
355.06107	0.9
355.09711	2.2
356.06705	1.2
357.07391	0.7
363.06750	0.9
364.07281	0.5
370.04620	0.7
371.05399	20.4
371.09265	2.2
372.05954	1.4
380.06863	1.5
381.07553	10.2
382.08060	2.0
383.05487	0.6
384.06216	0.9
385.07404	0.6
398.35239	0.6
399.08618	100.0
400.08926	7.9
413.06482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.3
57.03437	17.5
59.44628	3.5
61.02916	12.2
67.05510	4.7
69.03431	58.3
69.06808	2.9
69.07076	35.6
70.85911	8.3
71.01376	3.9
73.02916	46.1
75.21265	3.4
81.03416	9.4
81.07043	4.4
85.02902	100.0
87.04462	31.8
88.56195	3.4
91.03945	5.4
91.04941	4.0
91.05472	15.4
93.07050	7.1
95.04950	5.5
97.02885	75.4
97.06515	4.9
99.04457	8.2
106.02869	6.1
107.04927	3.9
107.08527	4.2
109.02883	11.3
111.08073	10.5
115.03925	66.6
119.08572	8.2
121.02847	7.0
124.03930	7.0
127.03881	23.4
129.07072	3.9
129.08919	3.4
131.04878	3.3
133.04027	6.3
133.04955	80.7
133.05881	6.4
137.05969	9.6
137.09628	5.2
137.76997	4.0
139.03894	4.6
141.07062	4.4
145.02837	8.5
145.04953	50.1
147.04390	8.3
149.06009	3.7
150.07608	8.8
153.09082	4.7
163.06036	24.6
167.07005	4.9
175.03941	5.4
177.05440	25.3
183.10120	5.6
193.05074	4.0
201.11162	16.0
207.06554	10.8
207.44130	3.4
209.40712	4.0
211.87184	4.2
218.08128	5.1
223.05907	6.6
233.08125	4.0
234.25357	3.4
236.09183	14.5
241.07191	6.5
254.87364	3.4
257.00827	5.4
259.08197	6.6
268.08432	3.6
295.10397	5.9
303.01068	8.4
305.24609	3.8
312.99594	7.8
355.04608	8.0
398.14636	7.7
399.07208	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.4
57.03436	20.9
61.02932	8.0
67.05484	2.9
69.03433	31.6
69.07066	33.0
70.57249	2.9
70.57572	7.8
71.01350	4.4
73.02912	28.3
79.05480	3.2
81.03414	7.2
81.07053	6.8
85.02900	100.0
87.04433	4.5
90.37209	3.0
91.03947	8.1
91.05482	6.1
93.07028	3.3
97.02882	36.7
97.06535	5.1
99.04456	5.6
102.59018	2.6
103.03938	3.6
109.02870	7.3
110.81236	2.9
111.08110	5.3
115.03925	15.8
123.04445	3.8
123.25453	3.4
127.03902	32.2
130.80872	3.3
133.04976	25.8
145.04950	63.1
150.07710	3.7
163.06027	39.0
185.85086	3.3
195.10222	4.6
201.11192	5.1
266.08810	6.0
335.92014	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	398.1234
Annotation	Narlumidine
Peak:m/z	Relative Intensity
55.05510	1.6
56.05016	1.1
57.03421	4.2
57.79015	1.0
65.03923	1.6
67.05487	2.5
68.05016	1.3
69.03403	1.3
69.32551	9.7
79.05482	1.6
80.05018	3.1
81.03403	1.5
81.07036	2.8
84.04482	3.0
85.02901	24.8
91.05473	2.9
93.07024	1.8
94.06573	7.4
95.04964	1.5
95.08591	3.6
103.05463	3.8
103.75104	1.1
105.06976	1.4
106.06548	3.2
107.08586	2.5
108.08994	1.1
109.03626	0.9
111.04425	1.3
114.49547	0.9
117.05721	1.7
117.06986	1.3
118.06509	4.9
119.04908	2.2
119.08550	1.6
120.11225	1.0
121.02025	1.4
121.02870	24.6
121.03764	2.0
127.03838	1.2
130.06573	2.3
131.07230	1.2
132.03143	1.0
132.07211	1.1
132.08066	6.4
134.05948	1.8
144.08089	1.1
145.08838	1.8
146.05995	1.7
147.04395	14.8
149.02328	4.1
158.05902	1.2
160.07541	5.2
164.07057	1.2
167.08537	1.8
173.05965	2.6
175.03911	33.3
178.08701	5.1
180.06534	2.4
186.09152	1.7
189.16418	1.2
192.03777	1.3
192.06487	1.3
195.08099	2.5
201.05472	2.0
206.08121	8.6
209.05975	1.8
212.07063	2.5
213.05417	1.3
220.07532	1.7
221.08344	1.3
222.09146	1.3
223.07585	4.4
224.07175	2.1
224.09149	13.0
232.07571	1.9
233.08334	2.1
234.09102	1.4
239.07024	2.8
240.06578	6.2
240.10167	2.2
241.08649	2.7
248.06889	1.4
249.07808	5.9
250.06207	1.9
250.08572	10.5
251.07066	14.1
252.06537	12.2
253.08635	2.2
260.07123	1.7
260.10751	1.9
262.08649	4.2
263.09454	2.1
264.06564	4.6
264.10248	1.2
265.07361	2.5
266.08133	1.5
267.08835	7.5
268.09668	45.7
270.09128	1.7
274.08542	3.2
277.07501	4.7
278.08112	10.0
278.11703	3.7
279.08942	3.2
280.09540	6.5
288.07022	1.5
288.10135	8.1
289.10977	2.5
290.08005	2.4
290.11539	1.7
291.08826	6.0
292.09677	9.7
293.10291	1.6
301.07556	1.5
305.06848	3.3
306.07602	7.0
306.11252	22.1
316.09698	9.1
317.10022	1.3
319.08441	1.4
320.09033	1.4
323.07806	1.7
324.12250	1.2
334.10715	65.5
338.09946	1.3
352.08197	1.8
352.11832	21.0
357.20862	1.1
362.10236	6.6
365.08746	1.6
380.11267	96.7
381.11606	2.7
398.12320	100.0
399.12613	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	397.3098
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
51.43793	2.6
52.03194	2.6
53.03936	6.0
53.70771	3.2
55.01857	2.6
55.05512	31.1
56.96556	3.5
57.03424	4.2
57.07056	4.2
59.04982	3.4
65.03899	2.9
65.26893	2.7
66.36110	2.8
67.05185	3.3
67.05504	49.5
68.17633	2.8
69.03413	4.0
69.07059	23.4
70.24431	12.2
71.04965	7.4
77.67924	2.8
79.05483	25.1
81.03433	3.6
81.07050	66.8
83.04960	6.0
83.08587	8.6
85.02899	3.7
85.06521	11.4
91.05473	28.5
93.07041	62.9
95.04950	5.2
95.08606	92.1
97.10142	8.1
98.20895	2.5
99.04459	20.7
101.05989	6.7
105.07033	49.4
107.08586	72.7
109.06517	6.5
109.10150	70.6
111.07989	3.1
117.06983	7.3
119.08580	91.1
121.10141	79.8
123.08034	4.3
123.11699	14.3
125.09578	3.1
127.07598	4.6
128.06258	2.9
129.06996	4.3
131.08565	19.0
133.10130	77.5
135.08028	5.1
135.11693	56.4
137.09619	5.5
143.08554	8.7
144.09320	3.0
145.09070	4.1
145.10123	49.8
146.10532	3.1
147.11676	52.5
149.09602	4.3
149.13261	24.1
151.11201	4.3
155.08501	3.0
157.10127	13.6
159.11691	61.7
161.09584	3.0
161.13260	22.1
163.11198	6.2
163.14792	13.6
169.10106	3.2
171.11681	8.1
173.02066	4.4
173.11908	5.0
173.13229	24.8
175.11191	5.4
175.14874	12.4
176.89044	2.7
177.12691	12.9
177.16342	8.6
179.10550	3.6
181.04897	5.8
181.12204	11.2
183.11661	4.0
185.13246	6.5
187.13315	5.0
187.14816	25.5
189.12802	4.1
189.16383	47.3
190.16765	3.3
191.14275	3.3
191.17940	44.2
193.12148	13.2
195.13791	17.8
197.13196	5.8
199.14766	8.0
201.16393	46.0
203.17960	23.8
207.13797	17.5
209.15437	4.0
213.16420	6.9
215.17944	18.6
217.19516	8.7
221.15211	4.4
227.17964	3.2
235.17003	4.0
241.19481	3.2
249.18475	9.4
255.21065	4.3
259.17041	2.9
273.18527	4.1
275.20041	3.8
285.10028	3.9
287.20023	7.6
301.21680	13.2
303.23270	3.7
313.21576	7.7
327.23013	5.5
372.24530	2.7
379.29819	2.8
397.26187	8.9
397.30939	100.0
398.31464	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	397.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
53.91774	1.9
55.05512	20.2
57.07063	6.2
61.02919	2.2
67.05506	31.3
69.07068	21.3
69.39957	6.1
69.40388	12.6
71.04982	4.4
77.03844	2.1
79.05481	23.6
81.07050	48.3
83.04974	7.2
83.08595	10.4
85.06546	5.3
90.01088	2.0
91.05470	27.9
93.06486	4.4
93.07039	58.8
95.04967	4.3
95.08601	95.0
97.10149	5.9
98.20971	8.0
99.04441	23.6
101.06013	8.3
105.07018	45.0
107.08588	81.4
109.06503	4.9
109.10146	62.5
111.08060	2.7
111.11720	2.2
117.06989	6.1
119.08573	76.5
121.10133	87.3
123.08112	3.3
123.11701	10.7
127.07574	3.1
129.07008	3.3
130.07765	2.9
131.08553	17.6
133.10123	80.5
135.08023	6.2
135.11687	47.7
137.13268	5.1
142.07729	2.8
143.08559	6.1
144.09312	3.4
145.10107	41.5
146.10823	2.3
147.11679	50.6
149.09647	3.8
149.13255	26.6
151.11223	4.3
155.08586	3.6
157.10153	10.9
159.11682	60.5
161.09596	3.2
161.13226	24.6
163.11130	5.5
163.14810	13.9
165.12787	2.2
167.07040	2.8
167.10663	2.8
171.11668	14.0
172.12538	2.5
173.13239	22.6
175.11229	6.4
175.14868	14.0
177.12700	10.8
177.16409	7.0
179.10712	3.0
181.04932	17.0
181.12260	11.5
183.11671	3.3
184.07394	2.5
185.13269	4.7
187.14809	29.4
189.12695	6.3
189.16386	40.5
191.17928	36.7
193.12245	12.5
195.13770	17.3
197.13243	5.5
199.14777	6.2
201.16357	40.4
203.17957	29.1
207.13817	21.2
209.13393	3.1
209.15283	5.0
211.14815	4.0
213.16394	5.7
215.17964	13.9
217.19521	7.8
221.15382	2.8
227.17986	2.8
229.19489	3.7
233.15215	2.4
235.16925	5.1
249.18546	7.5
255.21100	4.6
274.92288	2.4
287.19968	5.3
289.21472	2.5
299.25574	2.5
301.21631	13.0
303.23175	5.3
313.21576	4.7
341.24637	3.5
351.30557	2.6
397.06958	4.6
397.31000	100.0
398.31384	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	397.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20720	0.8
53.03913	1.3
55.05511	6.2
56.77869	0.9
57.07075	1.3
65.03939	1.3
65.51069	0.9
67.05504	12.2
69.07059	10.3
70.83834	2.9
71.08613	1.2
79.05482	9.8
81.07048	32.1
83.08597	4.5
83.32532	0.9
86.09646	1.2
91.05475	11.8
93.07035	29.0
95.04929	2.3
95.07990	1.5
95.08598	28.9
97.10163	1.8
97.17695	1.0
105.07022	31.9
107.04899	1.0
107.08588	35.8
107.56558	0.9
108.08886	1.1
109.06548	2.0
109.10147	11.6
117.06999	3.2
119.08570	34.9
121.10133	21.6
123.08081	0.9
123.11695	4.3
129.06979	1.0
131.08534	5.5
133.10124	24.3
135.11682	9.4
142.07716	1.0
143.08507	1.5
145.10136	9.9
147.11674	20.7
149.13243	100.0
150.13574	3.0
151.11215	1.0
151.14807	1.3
153.09100	1.7
157.10115	2.7
159.11659	9.9
161.13245	82.8
162.13582	2.1
163.14809	22.3
171.11725	2.8
173.11990	1.1
173.13240	5.8
175.11130	1.0
175.14812	23.1
177.12886	1.4
177.16356	6.6
181.04959	1.4
183.11716	1.6
184.07362	1.4
185.13229	1.7
187.14786	3.1
189.12732	1.2
189.16354	29.2
191.17909	2.8
197.13358	1.2
199.14830	0.9
201.16365	13.9
203.17946	23.9
205.19498	2.0
207.13811	1.5
213.16434	2.0
215.17981	5.9
221.15327	2.5
223.16734	1.1
227.17889	2.3
229.19479	2.5
235.16965	3.9
241.19498	2.5
241.49911	1.1
243.20985	2.2
247.16948	4.7
249.18475	3.8
255.21045	2.1
287.19995	1.3
298.25989	1.0
301.21814	1.3
327.22879	1.0
351.30392	14.4
352.30756	1.5
369.07721	1.3
379.29947	2.7
383.05685	1.4
397.06961	8.6
397.11362	1.3
397.30997	37.3
397.35889	2.1
398.07678	4.0
398.31348	4.1
398.36227	1.3
424.10272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3099
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03937	3.7
55.01871	1.8
55.05505	23.5
56.96550	3.9
57.03424	1.8
57.07062	6.7
59.04994	1.9
67.05505	32.8
68.82203	1.7
69.07064	22.6
69.28046	13.7
69.28458	3.8
71.04983	6.8
79.05486	24.4
81.06592	3.1
81.07052	43.7
83.04955	5.8
83.08605	10.7
85.06538	5.9
91.05472	24.5
93.07038	55.3
95.04968	4.5
95.08601	100.0
97.02908	2.2
97.06525	2.6
97.10161	4.4
99.04447	26.7
101.06017	6.5
103.05434	3.3
105.07023	53.0
107.08585	80.7
108.08985	2.0
109.06517	7.3
109.10151	65.0
111.11662	2.2
115.05431	2.0
117.07034	7.0
119.08575	84.5
121.06487	2.2
121.10133	99.7
122.10490	2.3
123.08060	3.3
123.11696	15.3
124.99948	2.1
127.07490	2.2
128.06198	2.0
129.07013	2.8
130.07764	3.1
131.08565	16.1
133.06416	1.9
133.10120	81.5
135.08049	3.7
135.11684	55.8
137.09563	2.0
137.13260	4.8
139.32950	2.0
143.08548	8.0
144.09348	3.7
145.10114	37.7
145.80756	2.0
147.08072	2.2
147.11681	56.4
149.09627	2.9
149.13246	23.0
151.11064	2.3
153.09128	5.6
156.09306	3.4
157.10104	9.0
159.11688	53.3
161.09573	4.6
161.13248	29.0
163.11151	6.7
163.14790	11.9
167.10719	2.2
169.10146	3.2
171.11700	9.3
172.12404	2.0
173.13249	22.2
175.11140	4.6
175.14836	16.2
177.12744	12.5
177.16347	9.2
179.10655	4.8
181.04982	4.5
181.12192	9.4
183.11688	4.1
184.07358	4.9
185.13249	9.8
186.14032	2.5
187.14801	24.6
189.12755	3.8
189.16368	55.1
190.16800	1.9
191.14258	3.2
191.17940	46.7
191.19633	3.4
193.12225	14.0
195.13800	12.2
197.13255	3.4
199.14856	5.1
201.16364	47.9
203.17932	27.6
204.18257	2.6
205.12280	2.6
207.13785	16.1
209.15408	4.9
211.14935	2.8
213.16364	5.5
215.17950	16.0
217.19472	11.2
221.15456	3.5
225.16473	3.0
227.17964	3.3
229.19505	3.8
233.15408	3.8
235.16945	3.7
241.19530	4.1
247.17163	2.9
249.18456	9.2
255.21082	2.4
273.18500	2.5
275.20151	2.6
287.20032	4.8
289.21585	3.9
297.25940	2.7
301.21609	14.7
303.23694	3.1
313.21552	4.9
327.23260	5.0
368.14514	1.7
379.29980	2.9
383.05307	2.1
397.07117	6.5
397.31012	99.8
398.07706	4.1
398.31342	8.0
398.36279	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	397.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33178	8.0
53.03916	9.6
55.01866	11.9
55.05499	14.7
58.05726	7.6
65.86755	7.2
67.05502	63.0
69.03416	25.2
69.07044	28.0
71.30473	13.1
71.30801	9.7
79.05466	34.5
81.03412	23.3
81.07059	60.1
83.08578	8.9
84.08108	15.6
85.02892	23.8
85.06550	12.7
91.05489	46.2
93.07070	45.6
95.04923	21.9
95.08598	52.7
97.06502	14.9
99.04430	9.3
100.89693	8.2
105.07015	61.5
107.08583	100.0
109.02857	23.8
109.06508	44.0
109.10161	64.2
111.08072	19.8
115.05367	9.4
119.08559	77.0
121.06487	28.3
121.10133	26.0
123.04467	8.6
125.05999	8.6
125.09617	64.0
127.03891	14.4
129.06950	8.7
131.08557	17.5
133.10127	59.5
135.08054	36.4
135.11662	21.7
137.05977	17.7
143.08542	21.7
145.10121	18.3
147.08011	21.9
147.11682	41.6
149.09613	11.6
151.11205	11.0
157.10124	19.9
159.11638	20.5
161.09583	65.3
161.13277	15.1
171.11629	13.2
173.13242	14.0
175.11145	30.1
175.14854	49.4
175.16101	8.2
189.16374	23.4
193.12271	13.8
194.87419	8.6
199.14928	14.3
217.12231	14.6
217.15852	48.0
235.13290	9.7
235.16853	45.1
241.08595	9.0
316.05685	9.0
317.06650	13.9
397.05240	23.6
397.17407	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.7
55.01854	5.8
55.05502	25.0
57.03419	7.1
57.07081	4.7
67.05499	32.6
69.03422	53.8
69.07070	29.3
69.28078	11.3
69.28497	36.4
71.04981	19.8
75.88978	4.1
79.05488	50.1
81.03419	65.1
81.07053	89.2
83.04973	36.6
83.08596	6.8
83.17787	4.0
85.02902	23.9
85.06526	14.9
87.35578	4.2
91.05493	38.7
93.06488	8.1
93.07036	100.0
95.04968	30.8
95.05481	5.0
95.08605	55.8
97.02898	11.3
97.06537	46.8
97.10191	5.6
98.20731	8.4
99.04452	34.8
99.08052	6.6
105.07021	97.3
107.04950	12.4
107.08582	82.9
109.02878	76.5
109.06504	42.5
109.10165	26.0
111.04453	10.8
111.08088	23.0
113.06001	7.8
117.07018	13.9
119.04925	5.2
119.08576	75.8
121.06506	54.7
121.10158	23.8
123.04469	5.3
123.08076	20.7
123.11720	14.0
125.06017	11.4
125.09619	7.9
125.36792	4.6
127.03918	51.6
127.07574	16.4
129.07024	12.4
131.08580	20.3
133.06467	11.2
133.10117	60.2
133.51859	4.7
135.08046	21.4
135.11685	13.3
137.05968	29.4
137.09616	9.0
139.07530	19.8
141.05478	5.6
142.07777	5.2
143.07004	11.7
143.08575	16.4
145.06422	6.6
145.10106	29.1
147.08029	16.7
147.11664	97.8
149.09602	6.6
149.13280	9.2
151.07446	8.0
157.08823	5.3
157.10100	25.5
159.08134	6.2
159.11703	13.8
161.09593	27.1
161.13274	19.6
163.11183	8.7
163.14786	7.9
165.12755	45.1
169.10185	6.8
171.11693	17.5
173.09602	9.5
173.13338	11.2
175.07613	4.7
175.11163	65.0
175.14787	16.4
179.07068	5.5
181.10101	5.4
187.05980	10.6
187.11113	7.1
189.12769	34.3
189.16388	20.8
191.10652	5.3
193.12250	49.4
199.11168	25.6
199.14847	5.2
207.13808	24.1
211.13292	32.4
217.12248	70.2
217.15862	19.8
229.14270	7.3
235.13303	57.2
235.16856	39.2
253.14417	32.2
335.18643	5.6
379.17355	12.7
397.18365	33.4
397.22656	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	397.1856
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03941	17.0
55.01862	11.5
55.05509	18.8
65.03939	4.9
67.05501	23.1
69.03425	57.8
69.07061	32.1
70.65385	8.1
71.04988	18.3
74.80466	3.7
79.05492	43.9
81.03418	72.7
81.07056	82.2
83.04972	36.0
83.08624	11.6
85.02899	9.5
85.06531	14.8
86.53698	2.9
91.05487	37.5
93.07044	95.1
93.07640	4.8
95.04966	36.4
95.08605	40.0
96.28495	3.0
97.02899	12.3
97.06522	42.9
98.20918	4.5
98.66523	3.6
99.04464	34.6
103.05458	3.5
105.07026	74.4
107.04955	17.3
107.08594	58.5
109.02873	99.1
109.06516	50.6
109.10155	11.4
111.04437	15.7
111.08081	28.2
113.05992	5.2
117.07011	6.5
119.04900	5.3
119.08555	48.2
121.06504	73.3
121.10140	18.2
123.04433	8.4
123.08065	13.5
123.11700	13.6
125.02379	3.9
125.06006	17.6
125.09619	5.7
127.03915	63.4
127.07561	14.6
128.06235	5.6
129.06992	13.8
131.08554	11.9
133.06471	13.3
133.10130	32.2
135.04413	6.8
135.08046	30.3
135.11723	3.7
137.05989	25.8
137.09604	4.0
139.07558	20.7
141.06996	7.0
141.55359	3.6
142.07761	6.8
143.07047	9.5
143.08574	10.8
145.06516	6.3
145.10104	20.6
147.08043	14.3
147.11685	90.9
148.12082	5.3
149.09596	6.0
149.13312	6.0
151.07538	6.7
151.11148	8.1
153.09088	5.4
156.09381	4.0
157.08708	7.0
157.10117	26.6
159.08073	4.4
159.11722	7.0
161.09654	6.6
161.13255	14.7
163.07504	4.7
163.11157	4.3
165.12746	40.7
169.12216	6.5
171.07997	3.8
171.11656	23.8
173.09628	6.9
173.13283	4.2
175.11179	52.7
187.06044	6.0
187.11249	5.7
189.12737	34.6
191.10721	6.8
193.12233	60.7
199.11179	25.9
205.08636	4.3
207.13795	23.8
211.13287	33.9
215.10803	5.3
217.08681	3.7
217.12222	100.0
219.10005	4.0
233.11691	4.6
235.13272	76.9
251.12859	4.4
253.14340	39.0
273.11261	9.5
319.15399	6.1
333.17023	4.7
361.16525	6.7
379.17334	11.8
397.18533	51.7
398.18762	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01867	1.3
55.05487	1.7
57.75934	1.2
64.29897	1.3
65.03926	1.4
67.05490	3.8
69.03413	5.5
69.07052	1.2
70.06591	1.3
70.74548	1.1
71.27055	4.2
79.05491	4.8
81.03419	3.8
81.07040	5.4
82.19435	1.3
83.04961	1.5
84.91424	1.3
85.02878	4.6
85.06500	1.8
91.05482	12.8
93.07018	4.7
94.04207	2.7
95.04966	3.1
95.08611	2.9
97.02859	1.5
97.06509	2.5
103.05437	2.5
105.07012	5.9
107.04986	1.8
107.08601	3.5
109.02859	3.6
109.06491	4.4
115.05441	1.6
117.07013	2.8
119.04982	6.9
119.08557	4.6
121.06524	3.9
121.10153	1.5
122.03666	7.5
123.04491	1.3
127.03919	2.0
128.06190	4.5
129.07002	7.9
131.04932	3.4
131.08553	5.9
133.02730	1.4
133.06508	1.9
133.10100	2.5
135.04402	1.6
135.08058	3.0
136.02353	1.8
137.05972	100.0
141.06978	5.3
142.07777	1.9
143.08583	3.3
144.05666	2.6
145.06448	2.5
146.03685	2.0
147.04424	3.1
147.08041	2.3
147.11662	4.7
149.05959	5.7
151.07533	15.1
152.06213	1.6
153.07024	3.8
155.08527	4.5
157.06473	4.0
157.10124	2.0
158.07271	4.0
159.08047	6.8
161.05977	17.5
161.09616	3.7
163.07513	2.6
165.07019	5.7
165.12775	2.0
167.08545	3.7
168.05742	1.9
169.06483	3.1
169.10112	1.9
170.07222	2.6
171.08044	5.7
171.11656	1.6
172.08914	3.3
173.05841	2.0
173.09610	2.8
173.13272	1.4
175.07527	5.2
175.11128	3.1
177.05522	2.0
181.06467	1.8
182.07256	7.4
183.08025	5.4
184.08820	3.6
185.05974	3.2
185.09621	9.6
186.06706	1.9
187.07555	6.1
187.11168	3.2
189.09081	3.2
189.12776	1.9
191.07005	6.7
193.12193	2.0
194.07278	3.1
195.08081	2.8
197.05946	1.8
197.09618	9.4
198.06802	15.6
199.07579	8.7
199.11212	1.7
200.08244	3.1
201.09087	3.3
202.07751	1.5
210.06779	4.2
211.07561	6.1
212.08281	3.8
213.09079	20.8
215.08783	2.6
215.10692	8.3
217.08548	1.9
217.12224	3.7
225.09059	13.2
229.08438	2.9
229.10399	1.7
231.08057	4.1
231.10132	2.1
232.08817	2.3
233.09642	2.2
235.13220	2.0
243.07869	1.5
243.10143	17.2
245.09648	4.0
246.10384	1.6
247.11285	1.8
248.08235	2.2
249.09138	2.1
255.10191	5.0
257.09662	3.2
259.07343	2.0
260.08325	2.7
261.09152	7.5
262.09753	1.8
263.06903	2.3
263.10672	1.7
264.07739	3.4
265.08600	3.8
271.07504	3.6
273.11249	56.6
274.09338	1.8
274.11890	2.0
275.10657	5.7
276.07758	5.0
277.08517	6.8
277.12192	2.3
278.09338	3.5
279.06693	1.6
285.09137	3.4
287.07080	2.5
287.10504	1.6
288.07819	3.8
289.08627	4.8
289.12302	4.0
290.09439	3.0
291.10147	9.3
291.13190	1.8
292.07391	2.4
292.10703	2.1
293.08133	5.1
293.11755	4.1
295.09711	1.6
301.08722	2.6
301.11963	2.0
302.09393	2.9
303.10034	7.0
304.10654	2.5
305.11697	4.6
306.08847	1.5
307.09598	11.7
308.10339	7.3
309.11148	2.3
317.11737	5.2
318.08960	1.8
319.09805	2.9
319.13251	3.0
320.10428	4.3
321.11380	10.5
322.11923	1.8
323.12811	2.7
325.10684	4.6
331.09659	1.8
333.11191	6.2
334.11893	2.6
335.12903	7.6
336.13437	3.2
337.14291	3.1
339.12231	3.6
347.12552	1.8
348.13748	3.0
349.14398	6.9
351.12286	15.3
351.16098	2.2
353.13861	2.2
354.14569	25.3
354.18652	2.0
361.14319	3.6
366.14206	2.2
367.15442	5.1
374.98010	2.3
379.15372	15.0
392.99225	1.6
397.16464	84.9
398.16861	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	397.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	3.5
55.01862	3.2
55.05518	7.8
56.05002	2.5
57.03421	3.1
57.07064	2.0
65.03925	2.1
67.05493	13.2
68.04999	2.0
69.03429	12.4
69.07067	8.8
71.04965	4.1
71.50870	1.7
79.05499	11.0
80.04993	3.5
80.66774	1.3
81.03413	10.1
81.07050	21.0
82.06548	2.0
83.04942	3.7
83.08583	4.1
84.03995	1.5
84.04497	22.1
84.08138	7.4
85.02896	26.6
85.06515	4.7
86.06029	3.8
91.05469	14.1
93.05764	1.7
93.07040	18.6
94.06569	11.9
95.04964	6.9
95.08083	1.7
95.08601	21.5
97.02843	3.5
97.06477	4.2
97.10143	3.1
99.04419	3.9
101.07050	1.4
102.05545	6.3
103.05427	3.0
105.07027	24.5
106.06512	3.7
106.07196	1.2
107.04938	2.3
107.08005	1.3
107.08579	16.7
109.02830	4.9
109.06526	7.4
109.10155	13.8
111.04420	3.0
111.08050	2.4
113.05930	1.3
117.05740	1.7
117.06987	3.5
118.06482	4.6
119.04908	1.9
119.08570	21.0
120.08037	2.1
121.02872	25.7
121.06527	6.0
121.10153	11.3
123.07996	2.6
123.11692	9.2
125.05962	1.9
125.09587	3.3
127.03848	5.6
129.06918	1.5
130.04997	53.2
130.06413	3.1
131.07304	1.8
131.08540	4.4
132.08083	6.3
133.02682	1.3
133.06468	2.2
133.10104	15.4
134.05975	2.7
135.07999	3.0
135.11682	6.4
136.07524	1.2
137.05960	1.9
137.09637	2.3
139.07526	2.9
142.54890	1.4
143.08496	4.2
145.06441	3.8
145.08936	2.7
145.10062	6.9
146.05963	2.1
147.04417	12.3
147.06732	2.1
147.07898	3.1
147.11699	15.3
149.02324	3.3
149.09569	2.5
149.13170	3.5
151.07530	7.0
151.11176	1.3
155.08565	2.8
157.06061	2.1
157.08893	1.4
157.10065	7.1
159.06818	2.9
159.08011	2.2
159.11694	5.9
160.07532	9.0
161.09613	4.1
161.13194	4.4
163.11159	1.7
163.14745	1.4
165.06909	2.1
165.12637	3.9
167.08482	1.2
169.08461	1.6
171.08025	1.6
171.11592	3.6
172.07574	1.8
173.05878	2.6
173.13228	4.2
175.02556	1.9
175.03909	25.3
175.11118	5.0
175.14783	5.8
178.08699	1.6
180.06535	2.5
181.06427	2.3
185.13176	1.8
187.14786	1.8
189.08984	1.7
189.12691	3.5
189.16397	14.3
193.12164	4.2
195.08054	3.2
197.05959	2.8
199.11154	2.3
199.14828	3.8
201.05438	2.6
204.08064	1.6
205.06384	2.3
206.08110	17.9
207.17406	5.0
209.05969	3.1
211.07590	1.7
211.13167	2.6
212.06956	3.9
213.05533	2.0
217.12222	5.2
217.15807	8.0
220.07552	1.6
222.09015	2.6
223.07494	4.7
223.10782	11.4
232.11182	1.5
233.05968	1.8
233.08031	1.8
234.09068	1.9
235.13153	3.5
235.16873	14.9
239.06888	2.5
240.06454	7.4
240.10214	3.0
241.08635	1.8
248.07060	1.8
249.07774	4.2
250.06288	2.1
250.08598	14.1
251.04501	1.9
251.07031	36.5
252.06609	8.8
252.10007	1.5
253.14297	1.9
253.17900	3.2
260.06992	1.9
260.10678	5.0
261.07813	1.9
262.08521	3.9
263.07022	1.4
264.06503	4.9
264.10208	2.1
265.07172	1.4
267.08954	7.0
268.09680	53.9
270.08966	3.9
272.06992	1.3
273.07712	3.1
274.08533	3.2
275.09277	1.9
277.07303	5.1
278.08035	6.7
278.11646	4.8
279.08835	2.0
280.09650	5.3
288.10159	13.0
289.10904	1.9
290.08002	3.8
290.11395	1.7
291.08868	9.6
292.09787	6.7
302.07910	2.7
305.06769	2.4
305.10126	1.5
306.07516	6.1
306.11118	23.5
307.11404	1.9
308.09183	2.2
316.09631	11.0
317.10425	2.3
318.11084	2.3
319.08252	2.9
320.09003	2.7
334.10730	67.2
334.14365	5.2
335.11072	3.6
336.12189	1.8
336.15759	1.9
344.08865	1.7
345.09668	1.8
351.13367	13.6
352.11795	6.7
362.10208	17.3
363.10559	1.8
365.09158	2.2
379.12906	7.9
379.16916	2.7
379.21188	3.0
380.11267	100.0
381.11563	6.0
397.13702	68.2
397.17767	7.1
397.22247	2.5
397.27335	3.5
397.31439	1.9
398.14127	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	397.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01852	1.2
55.05489	0.6
55.93517	0.7
57.03408	1.0
60.47476	0.6
67.05489	1.4
69.03401	2.3
69.98051	3.4
70.06578	0.9
71.04963	0.7
75.67649	0.6
76.07664	0.7
79.05486	1.4
81.03404	2.3
81.07049	1.4
83.04948	1.4
85.02887	1.9
88.54936	0.7
91.05456	2.5
93.07030	1.9
95.01349	0.9
95.08564	1.1
97.02892	1.0
97.06538	0.6
102.04673	2.8
103.05471	6.7
105.07026	2.0
106.02924	0.8
107.04939	1.2
107.08568	1.4
109.02831	1.2
109.06483	0.8
115.05485	1.5
117.07016	1.5
117.09084	1.3
118.04118	1.1
119.04890	0.9
119.08556	1.9
121.06514	1.4
124.03931	1.6
128.06239	1.0
129.06969	0.9
130.04140	2.6
131.04913	8.4
131.08557	1.0
132.05731	4.3
133.02785	0.8
133.06474	1.2
135.03462	0.8
135.07993	0.8
137.05972	3.0
145.06454	2.2
146.03578	0.8
147.04381	2.5
147.08022	2.5
148.05136	2.0
149.05995	0.9
151.03922	1.0
152.82616	0.7
157.06514	0.8
158.03584	3.2
159.04396	3.6
160.05196	2.5
161.05956	3.4
163.07545	1.4
164.04645	0.9
165.05431	1.3
173.05959	3.8
175.03914	1.4
175.07503	1.7
176.04649	8.8
177.05473	6.0
179.06996	1.6
185.05814	0.7
186.03116	2.0
187.03949	3.9
189.05492	1.8
191.07025	55.2
192.07820	6.2
193.08549	1.3
197.08086	2.4
201.05486	2.8
203.06998	1.5
204.04164	5.4
205.05005	5.2
206.05576	0.8
207.02924	1.0
207.06544	5.2
209.07936	1.2
217.04993	1.3
217.12221	0.7
218.05774	1.1
218.08078	0.8
219.06512	97.4
220.06999	4.5
221.08035	1.1
222.05229	3.1
232.03648	2.8
233.08058	1.6
235.06024	2.3
235.13322	0.8
236.09108	0.8
237.07588	4.2
246.05069	0.7
247.06064	3.9
250.04659	2.8
251.09079	4.5
259.09756	2.1
261.07507	4.5
265.07053	10.7
273.07758	1.3
273.11063	1.6
277.07019	3.5
279.08624	100.0
280.09006	3.2
291.08673	0.8
301.06989	1.2
305.06461	1.5
317.06567	0.9
319.08090	3.6
323.07581	2.9
337.09180	10.5
337.16281	0.8
354.14615	0.9
365.08505	0.8
379.10287	1.1
383.09698	1.1
387.91226	0.9
391.94458	1.4
397.16418	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	397.0222
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
60.46400	0.3
65.48709	0.3
69.03424	0.3
70.19553	0.8
71.04986	0.3
75.35033	0.2
81.03414	0.5
83.04935	0.4
85.02920	0.3
85.06545	0.4
91.05470	0.7
93.07064	0.4
95.04961	0.3
95.08597	0.3
97.06527	0.3
98.21024	0.5
99.60291	0.3
105.38991	0.3
109.02856	0.4
109.10141	0.3
110.03658	0.7
121.02855	0.4
127.03904	0.3
129.07021	0.3
137.02319	2.4
137.06001	0.5
145.10216	0.3
147.04437	0.6
149.02373	0.4
153.01830	1.1
157.06517	0.5
158.07246	1.2
167.03436	0.4
168.05727	0.7
169.06349	0.4
177.05403	0.3
179.03386	0.5
185.05920	0.9
186.06729	2.8
186.86694	0.3
187.07402	0.3
193.01186	0.3
196.05173	0.7
197.05988	0.8
200.04677	1.0
200.21474	0.3
204.04231	0.5
213.05415	2.2
214.06258	1.5
217.04944	0.5
224.04686	1.0
225.05403	0.8
225.10045	0.4
228.04150	3.2
229.04951	1.6
241.05000	1.0
242.05826	1.9
245.04417	1.2
246.05045	0.3
252.04391	0.3
253.04939	0.7
256.03683	0.7
257.04416	1.2
269.04416	0.6
270.05231	14.4
271.05624	0.8
273.03943	1.0
274.04718	3.8
281.04608	0.4
285.03888	1.6
286.04495	0.4
287.05414	1.9
297.03940	2.3
298.04703	4.0
299.05420	1.2
301.03403	11.0
302.04190	30.5
303.04578	1.7
315.04990	3.7
316.05740	9.9
317.06537	100.0
318.06912	5.3
397.02240	8.5
398.02148	0.3
407.18884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05506	15.1
57.07069	18.1
67.05499	23.0
67.58598	2.7
69.07070	23.9
69.35829	27.0
71.08618	15.1
79.05481	12.6
81.07049	49.1
83.08607	9.5
84.12965	2.8
85.10174	9.0
91.05466	18.6
93.07021	14.8
95.08604	35.5
97.10161	7.7
105.07021	33.3
107.08575	19.3
109.10158	17.2
111.11723	8.4
116.24155	2.9
117.06989	16.8
119.07826	3.1
119.08538	16.0
121.10159	10.0
122.33479	2.9
123.11691	6.2
129.07039	4.7
131.08583	15.4
133.10129	34.6
135.11658	7.7
137.13353	3.0
143.08589	7.0
145.10104	46.3
145.11147	3.0
147.11664	20.3
149.13255	4.4
149.35654	2.8
157.10121	9.9
159.11676	34.0
161.13252	10.4
173.13280	14.7
175.14842	5.1
177.16588	2.8
187.14836	8.5
189.77164	3.4
199.14809	5.2
213.16373	5.4
222.85612	3.0
227.17888	4.1
241.19484	4.8
250.67506	2.9
255.20990	4.7
292.75430	2.8
301.29095	2.9
395.36761	100.0
396.37012	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	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.3
56.50624	2.5
57.07076	14.6
57.92982	2.4
63.78702	3.1
67.05499	15.0
69.07066	19.3
71.08625	16.3
79.05492	11.2
81.07048	45.8
83.08639	13.4
85.10163	9.6
91.05455	18.0
93.07043	11.5
95.08601	35.4
97.10165	10.1
105.07009	25.8
107.08604	15.9
109.10151	17.7
111.11708	6.6
117.07025	13.9
119.08585	17.5
121.10188	6.4
123.11666	8.8
128.06259	3.3
129.07016	3.8
131.08588	14.7
133.10143	29.3
135.11661	7.5
137.13255	5.6
143.08575	7.7
144.17380	3.2
145.10104	44.8
145.17296	2.8
147.11671	22.3
149.13275	8.3
151.14938	2.9
157.10095	8.7
159.11688	29.0
161.13245	11.2
173.13274	11.5
185.13268	6.6
187.14882	4.6
199.14821	8.7
203.17751	3.2
213.16467	6.9
227.17982	3.0
241.19475	6.5
255.21143	8.2
275.27353	3.2
395.36746	100.0
396.37329	8.2
403.63718	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	395.3307
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
51.36978	1.2
53.03935	2.0
55.05511	5.9
57.07062	1.3
62.27478	1.2
67.05190	1.2
67.05503	8.6
68.44149	1.1
69.07069	13.6
70.03749	4.2
71.04998	1.8
79.05504	10.5
81.07053	23.9
83.04978	1.3
83.08595	4.9
91.05470	27.4
93.07033	25.0
93.90199	1.3
95.04976	3.1
95.08603	35.7
97.06519	2.1
97.10165	3.9
98.20823	1.5
105.07023	23.7
106.06521	1.9
107.08585	34.4
108.08123	4.1
109.06482	3.8
109.10159	17.6
111.08093	1.4
111.11675	1.8
117.06974	7.7
119.08569	26.7
120.08948	1.5
121.10148	22.2
123.11694	8.0
129.06998	6.5
131.08563	15.3
133.10121	16.2
135.11688	17.4
137.13245	4.0
141.07030	1.4
142.07753	1.5
143.08548	10.8
144.09384	1.4
145.10127	24.4
147.11694	18.3
149.13237	18.6
155.08566	2.7
156.09325	1.6
157.10100	13.6
159.11697	17.2
161.13232	12.1
163.14819	17.5
165.12749	13.9
166.83946	1.2
169.10196	3.5
171.11638	12.5
171.12733	1.2
173.13255	14.8
174.27364	1.2
175.14835	14.8
177.16344	3.1
179.14342	3.7
181.04945	2.3
183.11699	4.3
185.13263	6.6
187.14801	13.7
189.16405	10.4
191.14279	2.5
191.17918	2.9
195.11742	1.8
197.13248	2.9
199.14841	6.7
201.16377	9.8
203.17967	10.2
205.15808	8.3
211.14804	2.8
213.16409	11.4
215.17941	21.8
217.15909	1.4
217.19516	7.0
219.17447	1.9
225.16458	3.7
227.17955	18.5
229.19502	13.2
231.21053	1.7
237.16451	1.6
239.17926	7.9
241.19476	27.6
242.20049	2.0
243.21078	13.6
253.19510	10.0
255.21146	15.5
267.21133	4.9
269.22638	1.9
271.20551	1.9
281.22614	4.6
307.24203	2.9
309.26151	1.8
320.56830	1.2
321.25800	2.4
335.27252	2.2
377.27521	2.3
377.31998	27.3
378.32306	1.8
395.33105	100.0
396.28906	3.0
396.33490	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	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.05269	1.4
55.05510	14.1
57.07071	6.0
67.05505	24.0
69.07070	25.3
71.08627	2.9
71.52885	1.2
79.05486	13.8
81.07054	66.9
82.07378	0.9
83.08610	12.5
91.05482	11.6
93.07039	36.9
95.04964	2.2
95.08604	100.0
97.10181	8.3
105.07023	23.4
105.39044	0.9
107.08586	47.5
109.06508	1.5
109.10152	56.1
110.10547	1.5
111.11746	2.5
117.07027	2.6
119.08576	27.4
121.10138	45.5
122.10449	1.4
123.11700	26.5
124.12045	1.1
131.08578	4.9
133.10107	18.5
135.11684	27.1
137.12225	1.2
137.13254	19.2
145.10130	7.9
147.11687	17.8
149.13251	37.0
151.14833	2.6
159.11679	9.2
161.13263	16.7
163.14816	32.4
165.16422	2.0
171.11665	1.4
173.13266	7.7
175.11301	1.3
175.14804	18.2
177.16388	20.1
179.17978	2.0
181.05042	1.2
185.13330	1.2
187.14851	5.5
189.16380	17.0
191.17950	15.4
199.14839	1.3
201.16478	3.1
203.17949	17.5
205.19496	11.6
213.16203	1.4
215.18018	3.1
217.19478	15.8
219.21094	1.7
223.39937	1.0
229.19582	3.4
231.20967	5.6
233.22659	1.9
243.20981	4.6
245.22667	3.4
257.22696	3.8
259.24155	1.6
271.24213	3.0
299.27454	2.3
325.28931	2.1
353.68839	1.0
395.36829	98.7
396.37097	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	395.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22369	4.8
53.03942	9.8
55.01859	7.0
55.05499	18.9
57.03441	4.4
57.07042	4.0
67.05502	22.1
69.03432	25.4
69.07056	16.5
71.04984	12.4
71.52859	7.5
73.40629	4.1
79.05489	24.4
79.05865	4.1
81.03417	24.5
81.07063	47.5
83.04972	9.7
85.02892	12.8
85.06569	6.6
91.05486	31.9
93.07052	36.3
95.04975	19.5
95.08615	46.0
97.02891	9.1
97.06546	6.6
97.10164	6.4
99.04455	12.1
105.03336	3.8
105.07031	48.5
107.04974	9.3
107.08595	41.2
109.02869	15.1
109.06515	16.5
109.10155	20.0
111.08115	7.5
115.05468	7.1
117.06995	13.9
119.08572	34.1
119.81583	3.9
121.06490	17.2
121.10110	21.7
123.08052	11.4
123.11694	5.5
125.09632	7.4
127.03890	12.6
128.89507	4.6
129.07056	7.4
131.08562	38.2
133.06474	8.5
133.10121	18.4
135.08041	13.0
135.09499	3.9
135.11678	14.0
137.05998	12.3
139.11188	4.4
141.06993	8.7
143.08522	14.0
145.04980	5.0
145.06511	6.1
145.10117	43.7
146.10477	5.3
147.08026	15.1
147.11668	11.7
149.09564	11.5
149.13275	8.5
151.07533	60.3
155.08546	5.8
157.10100	13.8
159.08023	15.4
159.11671	33.4
161.09625	4.1
161.13251	5.8
163.07536	6.5
163.11195	30.5
165.09050	5.4
171.11687	8.9
173.09613	23.1
173.13264	13.3
175.07570	20.5
175.11148	9.6
177.09088	45.8
178.83203	4.1
183.11671	5.7
187.11215	24.2
187.14833	22.5
189.16408	5.2
191.10675	15.6
205.12236	13.3
205.15877	10.0
215.10648	17.5
215.14304	17.5
233.11691	15.1
233.15355	100.0
395.20343	30.4
395.25525	12.0
396.06891	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	395.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92521	0.7
51.69262	0.6
52.34787	0.7
55.01874	1.1
64.23734	0.7
71.50794	1.1
80.58292	0.8
83.04987	0.9
97.02831	0.9
105.07102	0.8
107.04911	0.9
117.07086	0.8
177.51564	0.8
187.08659	1.2
191.08205	0.8
197.10704	0.9
199.08678	2.5
200.09473	2.6
211.08698	4.2
212.09386	1.0
213.10257	6.0
213.19724	0.8
214.11058	1.5
215.11766	9.3
217.09814	2.3
224.06094	0.9
225.10188	6.0
225.13838	0.8
226.10989	1.2
227.08133	1.5
227.11816	1.3
228.12479	1.0
229.09796	1.9
231.11316	1.6
239.08224	4.5
239.11809	3.2
240.08974	2.3
241.09682	4.1
241.13278	4.9
242.10487	5.4
243.07535	1.1
243.11288	8.6
244.08504	0.8
245.09190	2.3
253.09709	6.3
257.09222	5.5
257.12772	2.0
259.10751	3.6
263.10300	2.5
267.11240	3.1
268.08432	2.6
269.12860	4.9
271.10764	30.9
272.11426	1.6
275.10144	4.1
285.12341	5.3
286.09549	1.2
287.13824	2.4
295.10663	1.7
297.12344	6.3
303.09811	1.2
304.10162	1.0
313.11819	8.4
315.13312	6.6
321.10770	3.5
323.10156	2.4
331.12778	3.1
333.14301	1.7
339.01138	0.9
341.11322	6.7
349.13858	1.6
359.12372	12.3
377.13403	20.7
378.13293	0.9
395.14462	100.0
396.14948	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	395.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05502	18.2
57.07072	4.1
67.05507	24.9
69.07062	26.9
73.03232	4.2
79.05491	20.0
81.07049	47.7
83.08602	7.2
83.78398	4.3
91.05486	22.2
93.07039	57.5
95.08601	77.1
98.21620	10.1
99.04326	4.1
105.07033	43.2
107.08583	48.1
109.06467	4.5
109.10147	32.5
111.08078	5.7
117.07054	7.7
119.08571	57.0
121.06535	4.2
121.10136	43.2
123.11716	11.6
123.53291	4.2
125.09679	5.8
129.07019	6.0
131.08577	28.0
133.10139	38.0
135.08032	4.8
135.10834	4.2
135.11678	24.4
143.08574	9.8
144.09248	4.2
145.10114	41.7
147.11688	23.1
149.13257	43.3
155.08531	5.4
157.10207	10.9
159.08206	5.5
159.11690	26.8
161.09625	10.6
161.13222	21.0
163.11235	4.9
163.14804	47.2
169.10156	5.4
171.11742	11.1
173.13268	17.4
175.14818	20.0
177.16409	23.4
183.11612	7.5
185.13293	10.3
187.11104	6.1
187.14812	61.0
188.11485	4.9
189.12744	8.0
189.16397	39.4
191.14301	6.0
191.17911	6.8
197.13295	7.4
199.14842	9.7
201.16368	28.3
203.14223	5.8
203.17950	12.7
205.15805	4.9
210.93846	4.5
211.14740	4.9
213.16353	14.4
215.17960	35.9
227.17891	11.5
229.19542	6.8
229.57317	5.5
241.19672	11.4
255.20995	6.1
271.20581	9.1
281.22687	4.7
377.32086	12.7
395.12653	31.2
395.29733	11.8
395.33347	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94860	1.4
55.05317	1.2
55.05507	13.6
57.07076	6.8
61.00668	1.3
65.28291	1.6
67.05500	23.2
69.07066	22.1
70.85696	3.1
70.86033	2.7
79.05484	12.0
81.07052	64.0
83.08614	9.1
85.10184	2.3
91.05463	9.9
93.07030	25.5
95.08600	95.8
96.08949	2.5
97.10178	8.8
105.07021	28.7
107.08580	39.8
109.10150	37.4
111.11748	1.7
117.07016	6.2
119.08566	37.4
121.10134	33.7
123.11698	24.1
129.06995	3.4
131.08556	20.0
133.10124	19.1
135.11681	19.8
137.13237	21.4
137.14246	1.8
142.07838	2.1
143.08540	11.3
145.09067	2.3
145.10112	25.5
147.11664	19.6
149.13245	28.0
157.10150	9.1
159.11690	24.7
161.13266	10.2
161.74229	1.4
163.14809	20.7
171.11653	7.6
173.13272	11.8
175.14819	15.1
176.35201	1.3
177.16391	16.7
185.13206	7.7
187.14801	22.8
189.16365	14.6
191.17984	6.0
191.22920	1.4
199.14841	8.7
201.16389	20.5
203.17940	20.4
205.19485	4.5
213.16360	18.9
214.17020	2.7
215.17877	13.8
217.19476	11.1
225.16322	1.8
227.17888	9.5
227.19873	1.3
229.19423	9.8
231.21039	6.0
239.17923	1.9
241.19489	15.2
243.21123	11.0
245.22766	2.5
255.21094	19.7
257.22620	4.0
269.22690	11.6
271.24213	1.7
283.24203	2.7
297.25778	9.4
301.98358	1.5
323.27390	5.8
393.35159	100.0
394.35568	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	393.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.01863	9.6
55.05509	57.8
57.03437	8.5
57.07064	11.6
67.05502	52.4
69.03423	47.8
69.07059	53.0
70.97308	15.5
71.04990	17.4
71.20523	5.2
79.05491	48.7
81.03419	8.0
81.07056	88.9
81.07487	9.8
83.04969	37.1
83.08625	46.9
85.02906	15.1
85.06542	18.0
91.05489	53.9
93.07047	94.3
95.04964	40.8
95.08605	93.4
96.28492	4.9
97.02953	6.5
97.06549	29.0
97.10172	20.0
99.08083	7.9
105.07026	70.2
107.04935	17.8
107.08595	72.7
109.02901	11.1
109.06541	21.1
109.10163	57.6
111.08064	10.9
113.09634	43.2
117.07028	13.5
119.04949	8.6
119.08578	39.7
121.06511	20.2
121.10161	45.4
123.04368	6.3
123.08090	33.2
123.11711	23.2
125.06004	7.6
125.09634	12.2
127.03940	10.7
127.11208	22.9
129.07018	5.2
131.04910	6.3
131.08563	36.3
133.10133	39.5
135.08064	40.6
135.11676	35.0
137.05997	31.1
137.09587	10.1
137.13275	17.9
139.11232	6.5
141.12718	7.6
143.08485	6.7
145.10147	37.0
145.79549	5.1
147.04425	5.9
147.11710	16.7
149.09656	15.3
151.03946	16.5
151.11157	10.8
153.12749	87.2
159.11720	24.3
161.13313	15.3
163.07552	7.8
163.11156	12.4
167.07062	8.0
173.13335	9.8
175.14825	6.2
177.05617	5.4
177.12766	10.8
181.05003	9.3
189.16304	8.0
201.16420	23.5
207.17479	8.2
219.17435	43.1
221.04874	15.2
226.39197	6.2
235.06395	6.8
237.18466	100.0
255.19542	26.4
257.04465	7.3
301.03357	15.3
333.05957	14.8
375.18637	11.6
393.09879	6.3
393.19308	21.3
393.23822	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01850	2.6
55.05510	16.9
57.07076	16.0
65.03931	3.9
67.05503	34.3
69.03422	3.7
69.07065	22.2
69.36889	8.4
69.37312	13.7
70.51680	2.3
71.08612	5.4
78.15333	2.8
79.05501	29.2
81.03419	2.8
81.07051	72.9
83.04966	6.8
83.08620	11.0
85.06538	4.6
85.10149	2.6
91.05482	56.6
93.07039	85.2
95.04968	60.1
95.08608	68.7
97.06527	10.2
97.10126	4.0
98.98438	11.9
103.05459	5.0
105.00437	2.7
105.07025	90.0
107.08590	54.6
109.06522	12.5
109.10143	29.0
115.05400	6.4
116.06249	2.8
117.07005	20.2
119.08580	100.0
121.06487	20.3
121.10134	37.7
123.08070	6.4
123.11697	14.0
128.06216	9.7
129.07004	18.6
130.07791	8.5
131.08565	45.0
133.10130	48.4
135.08058	7.0
135.11668	24.5
137.09634	3.1
137.13206	2.7
141.06946	8.5
142.07761	20.2
142.39769	2.8
143.08554	35.6
144.09338	8.3
145.06442	4.1
145.10124	71.7
147.08003	4.3
147.11681	21.7
149.09628	5.8
149.13258	5.1
153.06984	2.4
154.07759	5.5
155.01048	17.1
155.08499	13.4
156.09329	11.4
157.10124	62.0
158.10852	8.1
159.11682	47.9
161.09624	18.0
161.13289	9.5
163.11115	4.3
163.14769	4.6
166.07822	2.7
167.08556	5.6
168.09355	4.4
168.64615	2.6
169.10123	23.1
170.10872	5.4
171.11714	26.4
172.12416	4.7
173.09636	4.2
173.13251	24.5
175.11160	11.0
175.14825	20.3
177.16379	3.1
179.08588	5.3
180.09444	2.8
181.10109	9.5
182.10930	5.4
183.11694	25.1
185.13321	13.6
186.14111	3.1
187.11230	5.5
187.14838	13.1
189.16377	3.5
193.10132	5.1
194.10873	4.3
195.11684	11.7
197.13217	13.4
199.11183	2.9
199.14833	8.8
201.12592	3.2
201.16423	11.9
207.11707	4.9
208.12495	3.3
209.13210	13.6
211.14850	12.1
213.16374	8.1
215.14331	2.5
220.12357	3.4
221.13200	4.6
222.13826	2.9
223.14764	7.5
225.16296	8.1
227.14253	4.4
235.14798	6.9
241.15794	2.9
253.15927	7.3
265.19534	3.7
281.19006	2.9
375.26590	5.6
393.27298	13.2
393.35208	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	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53925	0.3
56.14310	0.2
57.69821	0.3
60.50537	0.2
68.05027	1.6
68.07928	0.3
68.70551	0.3
69.22333	2.9
81.03407	0.3
85.02888	0.4
86.96680	0.3
93.06999	0.3
97.02888	0.3
97.76839	0.3
98.21389	1.0
105.07015	0.3
107.08550	0.4
109.06519	0.3
125.05919	0.4
130.04976	0.9
137.05946	0.3
140.03450	0.8
143.04814	0.4
149.04561	0.7
151.03828	0.9
161.08255	0.3
166.07231	0.7
172.06047	1.0
189.06453	0.4
197.08109	0.3
201.06480	1.7
202.07262	1.7
203.08041	1.5
204.08809	6.9
214.07289	0.4
215.08005	1.3
216.08801	100.0
217.09341	4.0
218.10378	5.5
225.06442	9.8
226.07243	3.1
227.08047	1.3
228.08681	1.0
229.09555	1.5
230.08127	0.6
230.10362	10.4
239.07901	0.3
240.08794	54.4
241.09346	3.1
242.10187	0.7
246.09842	7.6
246.12289	0.6
255.09944	0.4
258.09915	2.6
268.08295	5.0
272.11426	3.5
278.53540	0.3
283.09439	1.3
286.09354	0.5
300.10901	56.5
301.11191	2.3
311.08929	0.6
315.11871	1.0
333.13022	3.2
343.11395	2.7
361.12543	6.3
375.14084	4.8
393.15176	29.8
394.15509	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	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01846	1.1
55.05493	0.9
57.03440	9.8
59.04986	1.1
61.02931	5.3
63.50780	0.5
67.05492	1.2
68.71759	0.5
68.72125	0.4
69.03437	15.9
69.07055	0.7
69.18846	1.9
69.19266	3.8
71.01328	2.2
71.04998	4.2
73.02921	2.8
74.42844	0.5
75.04478	2.7
79.05485	1.0
81.03420	5.8
81.07029	1.4
83.04953	1.4
84.05000	0.5
87.04469	0.8
91.05465	1.7
93.07008	1.8
95.04972	1.2
95.08583	1.2
98.21557	1.1
99.04459	6.9
105.06995	1.7
107.08591	1.7
109.06488	0.6
109.10092	0.8
111.00925	0.5
117.05476	1.3
119.08563	1.0
121.10130	1.1
125.06016	1.1
127.03834	0.6
133.07585	1.2
133.10155	0.6
137.05978	0.7
137.54301	0.6
139.03899	0.7
146.06056	0.8
151.03920	3.0
153.12790	0.6
158.07115	1.1
159.11612	0.6
160.08705	1.3
161.07135	4.0
163.07538	0.7
170.07176	0.7
173.05853	1.2
179.06998	0.6
186.06648	1.2
188.08206	29.9
189.08522	0.7
190.09731	1.2
197.08092	1.1
206.09172	1.1
214.06126	7.3
214.09689	0.6
216.07648	4.6
230.09203	0.7
232.07187	14.8
234.08760	2.9
237.18486	0.9
240.11354	0.5
252.11221	0.6
259.08276	72.3
260.06259	0.8
260.08633	2.3
263.10870	0.5
332.12366	0.9
375.13107	5.0
393.14053	100.0
394.14368	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	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64262	2.7
59.88740	3.7
62.28466	3.0
69.03444	6.3
69.21728	39.2
70.06578	10.7
79.05474	4.4
85.02892	11.4
91.02787	3.4
91.05456	4.5
97.02873	6.0
98.56342	3.3
102.32549	3.2
103.05457	7.4
105.07041	5.2
107.04966	42.3
113.07140	5.7
115.05445	4.1
120.05609	3.2
121.10168	4.1
127.03918	7.6
130.38573	3.4
135.08043	12.9
137.05994	7.8
141.06587	3.5
163.07529	24.1
167.07040	100.0
167.08458	5.8
195.10144	30.4
208.09731	4.3
213.11211	76.6
292.15536	3.7
315.10043	3.9
328.92902	4.3
375.11942	8.9
392.18576	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.56471	1.3
61.02932	1.4
67.05504	2.6
69.03432	3.8
70.06578	2.3
70.07397	1.9
70.07797	3.9
73.02939	2.2
79.05497	4.1
81.03421	1.8
81.07077	1.3
84.04529	1.5
85.02916	9.7
91.05487	5.5
93.07075	1.3
95.04967	2.9
97.02887	4.0
97.06567	2.1
98.21596	1.6
103.05472	2.9
105.07035	3.3
107.04951	34.7
107.08569	3.5
109.02863	1.3
115.05408	1.4
116.07073	1.4
117.07035	1.4
120.22992	1.3
121.10168	4.4
123.04449	1.7
127.03960	1.6
135.08057	12.4
137.05980	3.4
145.05019	1.9
149.06006	2.4
160.91614	1.3
163.07549	34.0
164.81596	1.4
167.07039	86.1
168.07478	1.9
177.05542	1.7
177.09114	2.9
180.07806	3.2
188.25755	1.5
195.10175	41.5
196.10570	1.8
197.63309	1.4
208.77942	1.2
213.11218	100.0
214.11607	3.4
215.10695	1.3
239.82466	1.2
273.10941	1.5
287.73770	1.3
375.11694	2.0
392.19397	2.5
393.20731	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	391.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.0
56.82038	1.3
57.07088	6.2
63.38280	1.1
64.46545	1.2
67.05507	12.6
69.06741	1.5
69.07072	18.2
70.46949	1.2
70.75052	1.2
71.06451	2.0
71.06774	1.4
71.08637	3.2
76.44884	1.3
77.69138	1.1
79.05478	5.2
81.06600	1.9
81.07053	27.7
83.08617	18.8
91.05489	6.7
93.07049	12.8
95.04922	1.9
95.08604	45.8
97.10156	5.6
98.98473	2.5
105.07024	11.4
107.08585	17.9
109.10158	25.4
109.10871	2.6
111.11701	3.7
117.07016	3.4
118.01435	1.3
119.08575	36.2
121.10152	15.1
123.11710	11.0
129.06982	2.2
130.07791	2.7
131.08556	4.8
133.10135	12.7
135.11690	7.5
137.13248	6.8
142.07767	3.3
143.08539	8.7
144.09335	2.2
145.10120	100.0
146.10463	3.8
147.11682	4.4
149.02365	8.0
149.13251	10.8
151.14789	5.3
155.01035	2.2
155.08510	1.6
156.09334	8.1
157.10129	19.0
158.10843	4.2
159.11693	31.7
161.13243	3.5
163.14876	10.3
167.08603	1.9
168.09351	4.8
169.10133	38.3
170.10768	2.2
171.11676	38.1
172.11964	1.4
173.13254	41.9
173.78285	1.3
175.14886	2.6
177.16393	8.7
179.17906	1.6
181.10158	2.4
182.10905	3.3
183.10080	2.1
183.11690	29.9
185.13243	18.4
187.14758	7.9
189.16464	3.3
191.17953	3.7
195.11729	3.3
196.12485	2.3
197.13235	20.0
199.14821	6.5
201.16371	5.2
203.17957	2.7
205.19492	2.2
209.13257	4.6
211.14806	13.1
213.16411	5.5
215.17946	2.9
219.21223	1.4
223.14818	3.5
224.15622	1.7
225.16339	6.8
227.18031	2.4
229.19521	2.9
233.94472	1.3
237.16280	1.5
237.22276	1.4
239.17944	70.3
240.18297	3.9
241.19588	2.7
243.21007	1.7
253.19450	8.9
259.24207	2.7
267.21100	2.0
281.22681	3.6
295.24210	5.0
321.25626	1.5
356.14246	1.3
391.33563	58.9
392.33957	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31924	0.6
55.05512	7.9
57.07072	3.7
57.29935	0.7
62.90652	0.6
65.03928	1.0
66.99703	0.7
67.05180	1.0
67.05500	11.3
69.07069	14.6
70.68643	1.1
70.68996	1.4
71.08630	1.8
71.43147	0.6
79.05489	6.2
81.07053	28.1
83.08611	7.1
91.05473	7.4
93.07042	17.2
95.04940	1.9
95.08604	33.6
96.08911	0.7
97.10175	4.1
103.05466	0.8
105.07027	19.2
107.07878	1.3
107.08585	19.6
107.09309	1.0
107.66421	0.7
109.10152	21.3
111.11709	1.5
117.06999	3.3
119.08574	20.0
121.10133	15.3
123.11709	9.4
128.06233	1.3
129.07025	3.0
130.07716	1.1
131.08563	12.1
132.08955	0.8
133.10123	21.3
134.10454	0.8
135.11684	10.6
137.13269	3.1
141.06955	1.3
142.07753	2.2
143.08557	12.7
144.09315	1.0
145.10118	21.6
146.10344	0.7
147.11662	11.9
149.02336	6.0
149.13239	10.1
151.14780	1.3
155.08531	3.5
156.09296	2.2
157.10114	12.6
158.10881	1.4
159.11678	15.7
161.13271	7.2
163.14790	7.8
167.03352	1.7
167.08598	1.1
168.09315	1.2
169.10110	7.9
170.10870	2.0
171.11693	10.1
172.12430	1.4
173.13249	11.1
175.14804	6.8
177.16380	6.2
179.08556	0.7
181.10135	1.9
182.10883	1.0
183.11707	9.2
184.12379	1.6
185.13246	9.5
186.13953	0.8
187.14810	25.6
189.16406	6.4
191.17894	3.0
194.10822	0.8
195.11679	2.5
196.12437	1.3
197.13272	8.9
199.14804	9.9
201.16377	11.8
203.17906	4.9
205.19502	1.1
207.11700	0.9
209.13237	3.3
211.14798	7.4
211.39304	0.6
212.15443	1.1
213.16351	11.8
215.17955	5.9
217.19545	3.1
221.13293	0.9
222.14186	0.7
223.14812	1.9
224.15392	0.7
225.16400	6.1
227.17929	8.3
229.19583	3.2
237.16382	3.4
238.17146	0.9
239.17899	9.9
240.18459	0.8
241.19504	9.4
243.21156	1.9
249.16354	0.9
251.17905	1.5
253.19495	11.8
255.20938	3.6
265.19540	2.6
267.21072	11.5
269.22644	2.3
279.21017	2.3
281.22562	4.5
283.24066	1.2
293.22635	1.8
295.24188	11.1
296.24652	0.9
297.25836	1.8
307.24203	2.5
309.25870	1.0
321.25708	5.6
333.25842	3.9
335.27298	2.9
348.28027	7.1
349.28845	2.4
391.33572	100.0
392.33810	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	391.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05513	6.2
57.07055	3.4
60.51399	0.9
67.05499	8.1
69.07066	14.0
71.08617	1.8
71.28571	2.1
79.05486	6.6
81.06600	1.3
81.07053	22.5
83.08609	4.2
91.05462	5.1
93.06494	1.1
93.07040	14.1
95.04985	1.0
95.08603	34.0
97.10165	3.8
105.07030	13.0
107.08591	21.2
109.10157	21.0
111.11672	1.5
117.06995	3.6
119.08581	15.3
120.08935	1.0
121.10135	15.8
122.10363	0.9
123.11703	7.9
129.06979	3.0
131.08551	12.8
133.10121	10.0
134.59122	0.9
135.08035	3.3
135.11703	7.0
135.45705	0.9
137.12294	0.9
137.13200	5.3
141.06999	1.9
142.07732	1.7
143.08559	10.4
145.10124	21.8
147.11674	7.2
149.02324	3.6
149.13243	10.9
150.13695	1.3
155.08533	3.6
156.09335	1.5
157.10123	12.8
158.10864	1.6
159.11674	14.0
161.13248	7.9
163.14824	10.0
165.16434	1.6
169.10124	7.0
170.10861	1.3
171.11699	13.2
173.13263	10.3
175.14806	6.1
177.16370	7.3
181.10162	1.2
182.10883	0.9
183.11682	8.7
184.12268	1.0
185.13237	7.2
186.14032	1.1
187.14818	25.6
189.16420	6.3
191.17947	3.0
195.11646	2.1
197.13257	7.1
199.14803	8.0
201.16400	13.1
203.17949	3.5
210.13725	1.0
211.14830	6.5
213.16338	8.9
215.17926	7.1
217.19501	2.9
223.14798	3.4
225.16422	5.2
226.17151	1.1
227.17918	6.1
229.19516	6.3
237.16356	1.0
239.17908	6.5
241.19562	5.3
246.11270	1.1
251.18048	0.9
253.19498	12.7
254.19861	1.8
255.21065	10.5
265.19528	1.2
267.21072	10.1
269.22543	1.7
279.20941	1.4
280.22269	0.9
281.22751	6.0
283.23987	1.4
291.21170	0.9
293.22641	2.1
295.24203	29.6
296.24460	2.7
307.24185	8.2
309.25732	1.4
321.25690	6.6
333.25806	1.1
335.27365	2.3
348.27945	1.1
349.28760	2.3
363.30383	0.9
373.27316	4.4
376.31100	0.9
391.33575	100.0
392.33975	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	391.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03928	2.0
55.05510	8.8
56.96542	2.7
57.03419	1.2
57.07074	7.7
58.47722	0.9
59.14627	0.9
61.02913	1.9
64.54886	1.0
67.05495	14.2
69.06734	1.3
69.07066	17.1
70.06584	0.9
71.08605	2.3
72.10081	0.9
79.05484	8.8
81.03377	1.2
81.06599	1.7
81.07052	27.1
83.08614	8.8
85.02899	2.3
88.07696	1.0
91.03982	0.9
91.05460	9.5
93.07038	16.1
95.04946	2.0
95.08604	38.4
97.02890	1.5
97.06489	1.4
97.10191	5.3
98.97593	1.3
105.07023	15.3
107.08593	19.1
109.06515	1.0
109.09479	1.8
109.10153	21.9
111.11715	2.7
113.49257	1.1
116.79187	1.1
117.06994	5.3
119.08570	18.4
121.10134	16.3
123.11710	9.1
128.06207	2.0
129.06984	4.8
130.07803	1.3
131.08559	14.0
133.10129	21.0
134.10425	1.1
135.11668	10.1
137.13258	8.5
141.06984	1.5
142.07773	1.8
143.08553	18.1
144.09279	2.3
145.10117	48.8
146.10429	1.6
147.11687	8.5
149.02342	6.9
149.13249	19.7
151.14771	1.3
155.08559	5.0
156.09349	2.3
157.10135	15.9
158.10973	2.3
159.11685	39.1
160.12172	1.2
161.13286	6.2
163.14824	14.2
165.12747	2.9
165.16364	2.3
167.07024	1.2
169.10132	11.7
170.10852	2.2
171.11678	15.1
172.12457	3.4
173.13257	20.4
175.14819	8.2
177.16405	12.8
181.10051	1.1
183.11716	9.0
184.12386	2.0
185.13255	9.6
186.13943	1.2
187.14806	38.6
188.15155	1.8
189.16403	6.9
191.17886	7.8
195.11703	2.1
196.12450	2.4
197.13242	7.7
198.13858	1.2
199.14769	12.2
201.16373	61.8
202.16650	2.2
203.05896	1.4
203.17937	8.3
211.14743	4.8
213.16362	16.7
215.17967	8.8
217.19489	4.4
223.14841	1.8
225.16393	7.7
227.17906	9.7
229.19495	3.8
237.16373	2.7
239.17908	20.2
240.18193	1.9
241.19516	16.4
243.08743	1.1
243.20992	2.2
251.17998	2.1
253.19461	9.6
255.21014	3.7
265.19476	1.3
267.09000	5.8
267.21060	6.3
268.09567	1.3
269.22687	2.3
279.20935	2.0
281.22614	4.0
285.10083	10.3
286.10397	1.5
293.22638	1.5
295.24197	12.9
307.24057	1.9
308.11652	1.1
309.25735	1.3
321.25781	6.9
329.32153	1.3
335.27283	2.3
349.29105	1.5
363.29706	1.2
391.33536	100.0
392.33875	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	391.1573
Annotation	Chidamide
Peak:m/z	Relative Intensity
55.05509	0.4
57.07057	0.5
63.87035	0.4
67.05491	0.5
69.03407	1.1
69.07041	0.4
70.06567	1.3
71.08634	0.7
71.51057	0.5
72.08138	0.4
79.05458	0.7
79.35739	0.4
81.03395	0.9
81.07037	0.8
84.08135	0.5
85.02886	1.5
91.05473	0.8
93.07074	0.6
95.04957	0.5
95.08561	0.4
97.02861	1.0
105.06999	0.7
107.08567	0.5
109.02828	1.0
109.06528	0.5
111.04465	0.9
112.07594	0.9
116.98637	0.4
119.08571	0.4
121.02873	0.7
123.04438	0.7
123.08044	0.5
124.21272	0.3
127.03882	0.7
131.01877	0.5
133.10095	0.5
134.71434	0.4
136.07520	0.4
137.05963	1.7
139.03856	0.5
143.07204	0.5
147.04422	0.7
149.02332	7.1
149.05983	0.4
151.03900	0.6
151.07631	0.4
153.01814	1.3
161.05905	1.1
163.07526	0.6
167.03397	0.6
189.05389	0.9
189.09126	0.4
193.04976	0.6
203.04050	0.5
207.10008	0.6
235.09650	1.3
251.07144	0.5
259.11523	1.0
307.16565	0.5
388.69888	0.4
391.15671	100.0
392.16089	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37656	1.8
53.03947	2.6
55.01874	3.6
55.05507	2.5
63.99570	1.9
67.05504	10.3
69.03430	3.8
69.07059	4.9
71.04971	2.2
71.50926	2.6
79.05520	8.9
81.03423	4.2
81.07050	7.5
83.04984	2.5
85.02920	2.4
91.05482	18.8
91.96540	1.8
93.07046	8.2
95.04961	10.1
95.08602	4.1
97.02919	3.3
97.06526	13.6
105.03358	2.5
105.07033	7.9
106.10204	1.6
107.04958	3.1
107.08582	7.1
107.43471	1.5
109.02886	4.8
109.06532	2.2
117.07045	5.2
119.04936	5.4
119.08572	6.8
119.98494	1.7
121.02850	2.0
121.06509	9.2
121.10150	4.4
122.03675	5.0
123.04425	42.2
123.08080	6.4
123.11664	2.1
125.05997	3.8
127.03947	3.1
128.06168	3.2
129.06967	2.0
131.04930	3.5
131.08627	3.5
133.06516	2.3
133.10120	3.5
135.08061	4.6
136.09509	1.9
137.05971	7.3
140.04721	10.2
142.07758	2.0
143.08559	3.9
145.06479	4.2
145.10181	2.1
147.08006	3.1
147.11674	2.6
149.02347	12.0
149.09538	1.9
151.03903	2.9
151.07538	27.2
153.05458	11.4
155.08525	2.6
157.67191	1.7
159.08032	2.7
161.05911	2.4
163.03896	6.7
163.07547	5.0
167.07033	5.0
168.04156	5.4
171.08022	3.8
175.07593	7.6
177.05598	4.0
177.09113	58.0
181.08589	2.1
183.06529	100.0
192.09204	1.9
194.07225	2.3
195.08304	3.3
195.10156	24.4
202.07668	2.2
207.10133	2.3
211.09538	1.9
219.08177	2.7
221.11687	6.1
222.06613	2.6
225.09158	2.4
235.07570	5.5
237.09125	5.4
239.06938	2.1
248.08311	4.3
251.07098	2.9
253.08492	2.5
255.06947	2.2
263.06937	2.3
263.10699	4.2
265.08563	8.2
266.09280	2.1
267.10208	2.9
275.06918	2.0
281.11703	6.4
291.10046	7.8
293.08310	2.1
295.09671	7.3
295.12836	2.1
297.11194	4.4
309.11136	14.6
313.14352	2.7
323.12830	5.5
327.12280	6.2
341.13739	12.3
345.13461	5.6
355.15454	4.1
359.14471	2.1
373.16464	3.6
391.17316	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.5
55.89108	2.7
56.74618	3.0
67.05505	25.5
69.03429	8.2
69.07059	23.1
70.63922	9.2
70.68011	3.0
71.04987	2.8
72.08146	7.1
73.46655	3.0
79.05504	3.4
81.03416	4.8
81.07067	20.4
82.07473	3.5
83.04975	9.2
83.08613	7.5
84.04516	3.6
85.02902	11.6
91.05477	12.8
93.07048	14.6
95.04956	4.3
95.08600	39.2
97.02885	5.3
97.06532	13.1
99.08096	6.7
104.07108	3.7
105.07030	13.9
107.08594	21.4
109.02867	5.2
109.05339	3.3
109.06507	10.0
109.10151	100.0
111.08099	3.6
113.52547	3.3
116.04976	8.9
118.06533	10.7
119.08576	42.8
121.10136	20.1
123.08114	17.7
123.11684	14.3
124.12029	3.4
131.08574	2.9
133.10100	25.5
135.11684	65.4
137.05984	6.4
137.09627	21.4
139.11224	3.7
147.04430	3.2
149.02281	4.4
149.13251	8.6
151.11179	7.8
151.14809	7.7
172.11177	5.2
175.14810	64.2
193.15886	65.4
195.12767	2.9
211.16937	48.3
217.13326	7.9
292.12924	8.5
329.14557	3.2
346.17499	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	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07620	3.6
55.01855	4.0
55.05494	5.3
66.84925	3.2
68.20181	3.0
69.03448	5.9
69.78071	20.4
71.01376	3.3
79.05494	6.1
81.07041	6.2
85.02885	11.6
91.05486	10.6
93.07029	6.3
95.04972	4.3
96.74231	3.7
97.02873	8.4
98.21537	3.7
103.05437	6.9
105.07025	51.6
107.04947	3.4
107.08607	4.4
109.06510	6.1
110.05977	3.8
114.26482	3.7
115.05437	8.2
118.04167	4.5
119.04913	8.1
121.06499	7.2
124.07594	8.7
127.03891	6.8
133.06494	41.1
134.78775	4.0
137.05974	30.1
141.05321	3.7
147.04349	5.2
149.05986	12.6
151.07549	6.8
161.05975	100.0
181.06375	6.1
193.05009	8.6
193.08577	65.4
199.03419	3.8
200.45544	3.9
210.11565	4.4
211.09612	12.2
228.12338	9.2
273.11090	5.4
317.80084	3.6
329.09982	4.1
374.53061	4.1
390.18021	35.9
391.08887	3.8
391.14362	6.9
407.04367	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	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03951	3.1
53.43850	0.5
55.01866	0.7
57.03423	1.6
64.86240	0.5
69.03431	10.9
70.69511	1.1
70.69910	0.9
71.04971	1.0
73.02905	1.0
78.03449	12.0
80.05000	2.3
81.03417	19.1
83.01343	0.6
85.02908	9.7
85.03396	1.0
87.04446	1.9
96.04483	3.6
97.02879	5.7
99.04446	2.4
106.02909	59.7
107.03218	0.6
108.08103	1.0
109.02878	10.9
124.03944	100.0
125.04276	1.4
127.03893	6.2
145.04875	0.8
154.05037	0.5
166.05002	1.4
168.06548	0.9
169.04956	0.5
176.51190	0.5
180.07852	0.6
182.75041	0.5
195.56650	0.5
196.06013	1.0
228.08679	1.7
232.06041	3.2
250.07092	20.5
268.08148	45.1
269.08524	1.0
277.22372	0.5
390.13797	4.0
414.92487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03936	3.5
54.08705	1.4
55.01867	4.4
55.05510	7.5
57.03441	2.9
67.05502	7.5
69.03428	14.9
69.07056	5.2
70.65921	1.3
70.84413	3.3
71.04992	34.6
71.94122	1.4
77.52747	1.3
77.61833	1.4
79.05489	4.2
81.03413	11.8
81.07059	8.3
83.04982	12.2
83.08607	2.5
85.02895	19.8
85.06543	11.3
87.04487	1.8
91.05461	6.9
93.07039	12.6
95.04958	4.5
95.08582	8.8
97.02888	5.3
97.06533	2.9
99.04453	100.0
100.04805	1.5
105.07022	7.9
107.04958	2.4
107.08596	26.5
109.02901	4.2
109.06512	5.9
109.10143	9.2
113.09632	3.4
119.08554	6.7
121.06487	2.9
121.10153	14.4
123.04440	2.1
123.08083	13.8
123.11703	14.3
124.99595	1.3
125.06008	1.7
125.09621	8.6
127.03922	7.4
131.04897	2.1
131.08540	3.4
133.10127	14.1
135.11688	2.4
137.05959	6.6
137.09610	2.0
138.06317	2.7
139.11127	3.2
145.04942	3.3
145.10110	4.7
147.09192	3.0
147.11670	4.5
149.09679	2.1
149.13220	6.1
151.11174	6.2
163.11209	7.9
163.14822	1.8
165.09122	1.6
165.12749	2.9
167.07024	2.2
167.10693	4.4
169.08568	2.8
169.12242	17.3
173.07121	2.8
173.13199	7.0
175.07477	4.2
181.04939	1.7
183.13805	29.3
191.08151	22.2
191.10645	4.7
191.14279	5.3
192.08650	1.7
197.15347	1.6
209.15390	15.5
227.08127	2.2
227.12776	3.4
227.16420	61.6
228.16612	3.0
265.09622	1.7
268.76749	1.5
269.09052	2.0
293.09192	3.0
297.08484	1.7
307.12909	8.3
311.10300	2.4
321.08536	2.2
329.11359	3.3
339.10077	2.0
344.91611	1.7
357.10858	2.3
371.11938	2.3
389.12967	4.2
389.17215	3.1
389.21350	2.0
406.14792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
52.47425	5.2
53.03945	11.4
55.01867	12.9
55.05509	21.6
57.03421	11.7
57.07067	7.7
57.28259	5.1
63.11008	5.8
67.05499	31.6
69.03418	26.2
69.07072	44.7
69.19431	7.8
69.19766	68.7
71.04991	21.5
73.76333	5.5
79.05500	30.2
81.03410	27.8
81.07055	61.0
83.04971	19.6
83.08617	18.7
85.02907	47.9
85.06546	14.6
91.05475	22.3
92.78162	5.9
93.07037	56.7
95.04971	24.7
95.08608	43.1
97.02904	21.4
97.06525	18.4
98.21148	29.0
99.04469	52.0
99.08101	16.5
103.05478	11.8
105.07033	35.2
107.04954	11.5
107.08575	83.5
109.02879	19.5
109.06483	11.7
109.10146	40.8
110.06061	10.7
111.04403	7.0
111.08069	18.8
119.08584	14.3
121.06475	15.5
121.10126	38.9
121.58594	5.8
123.04413	22.3
123.08070	18.3
123.11716	13.9
124.07611	9.1
125.09672	14.7
127.03924	39.2
127.11250	8.4
131.04869	7.9
131.08563	16.1
133.10112	37.8
135.08072	16.7
135.11636	12.9
137.05984	25.9
139.07565	7.8
139.11180	14.4
143.08588	8.5
145.04982	8.5
145.10135	16.5
147.11728	8.1
149.09621	23.2
149.13229	15.2
151.03888	9.3
151.11177	26.7
153.05492	9.0
159.04320	7.8
161.05928	8.3
163.07521	10.6
163.11189	16.6
163.14803	57.0
167.07054	36.0
167.10738	13.1
169.12227	9.1
173.13245	18.8
175.07481	9.7
177.05368	6.5
177.09137	7.1
179.06955	8.8
179.10756	6.8
191.14285	34.9
208.14142	7.7
209.15381	100.0
223.08577	7.4
227.16423	69.2
228.16084	10.7
237.10158	14.6
238.55589	6.5
239.11766	6.6
241.09686	6.9
251.08119	18.7
251.16547	6.7
265.09729	14.8
267.11374	10.3
269.09222	10.0
279.07590	15.9
283.10690	16.3
293.09229	35.1
295.33566	6.7
297.08630	45.7
311.10205	9.3
321.08646	20.2
325.11383	8.8
339.09796	38.8
343.12613	13.3
371.12213	18.2
371.20667	14.6
389.13187	84.9
389.17181	8.9
389.21506	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	389.178
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
62.35221	0.5
67.20486	0.4
69.03432	0.6
69.07072	0.6
70.06573	0.6
70.56802	1.5
76.58971	0.4
81.07050	0.7
85.02897	0.7
91.05507	0.6
93.07034	0.7
95.04959	0.8
95.08607	0.9
105.07012	0.5
107.08546	0.5
109.02928	0.5
109.06520	0.5
110.99022	1.1
121.10107	0.6
122.12442	0.4
123.08047	0.5
131.08528	0.6
175.00629	0.5
181.04974	0.9
203.05313	1.6
209.11513	4.0
227.09155	0.7
227.12558	3.6
389.17813	100.0
390.18103	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	389.1439
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
53.03938	1.6
55.01861	1.3
55.05505	2.3
57.03429	1.6
67.05497	2.3
69.03440	2.1
69.07063	2.6
69.49599	9.1
69.82915	1.3
70.06586	3.9
71.04987	1.3
73.02922	2.9
79.05464	1.4
81.03391	2.1
81.07053	4.4
83.04987	2.0
85.01140	4.2
85.02905	3.8
85.06553	1.6
91.05481	2.5
93.07039	3.1
95.04970	3.9
95.08611	5.4
105.07040	2.7
107.04961	1.7
107.08614	2.4
110.99033	10.2
116.01713	1.4
119.08542	1.1
121.02879	2.1
121.10155	2.9
123.08052	1.4
123.11658	1.6
124.03970	1.7
124.07593	1.3
127.03853	1.4
131.08546	1.2
133.06439	1.5
135.11690	1.4
136.07640	1.4
137.05966	1.8
140.04721	3.5
155.06975	6.6
167.07130	1.8
175.00673	4.0
181.04921	8.6
184.38228	1.1
203.05229	1.7
209.08179	2.7
209.11490	2.2
211.14832	1.1
215.14539	1.2
227.09172	12.3
227.12682	3.0
258.81665	1.1
303.10782	1.4
324.91321	1.5
371.15677	1.6
389.17752	100.0
390.17911	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	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.45304	1.2
53.03930	3.2
55.01868	33.1
55.05503	1.9
57.03420	2.0
57.07075	1.4
64.34530	1.2
65.03945	10.7
67.05486	4.9
69.03416	3.9
69.07032	1.9
71.05003	1.7
71.19475	3.2
79.05486	7.3
81.03404	4.2
81.07043	4.4
82.04179	4.4
82.05996	1.3
83.04979	2.1
85.02895	10.9
85.06540	1.3
91.05455	7.5
93.03397	3.6
93.07034	5.1
94.04220	1.4
95.04948	8.8
95.08599	3.4
97.02882	4.6
97.06505	4.2
99.04446	2.1
100.39165	1.3
103.05456	15.9
105.07011	3.1
107.04978	9.2
107.08597	2.0
109.02842	4.7
109.06502	3.1
109.10152	1.7
110.03625	2.2
111.04430	3.6
115.05473	2.6
117.07003	4.5
119.04945	2.5
119.08591	2.6
121.02861	2.2
121.06488	6.1
121.10129	3.1
122.03669	1.8
123.04437	4.5
123.11557	1.7
125.05988	4.9
127.03970	2.0
128.06206	2.6
129.07021	8.1
131.04909	20.7
131.08539	3.1
133.06523	1.5
133.10088	1.8
135.04401	1.4
135.08037	3.4
135.11560	1.3
137.02275	2.0
137.05968	32.7
138.03125	2.2
139.03900	4.7
141.01772	2.2
142.02600	4.2
145.06482	4.8
145.10193	1.4
147.04300	2.4
147.08067	1.6
149.05978	10.7
151.07596	1.8
153.05444	3.1
157.06474	5.7
158.07239	1.3
159.04398	2.3
160.05142	3.6
161.05945	3.1
163.03969	2.0
163.07495	7.5
165.01819	16.4
167.07018	26.0
171.06551	7.7
173.06084	1.3
174.06664	1.5
175.03880	1.6
175.07562	14.6
177.01785	2.7
177.05463	38.0
177.09167	1.9
179.07042	1.2
181.04939	100.0
183.02863	11.1
183.06554	3.0
187.07477	2.3
189.09106	7.6
191.03464	2.1
191.06973	4.2
193.08661	1.7
195.02872	17.0
203.03395	2.5
205.08595	3.0
207.06483	1.7
209.08080	56.6
210.08382	1.8
217.08603	8.6
219.03000	2.0
219.08191	1.6
219.10173	4.2
221.04430	1.5
221.07956	2.0
222.06544	1.4
227.16544	1.5
235.07428	1.7
235.09692	2.3
237.03891	1.9
249.03954	5.2
249.08990	3.0
257.08047	1.7
261.09094	1.6
263.06985	1.4
265.09494	2.0
269.08020	14.8
277.08670	7.1
281.08014	5.3
299.09167	8.2
307.09735	2.3
309.11102	3.3
321.11118	3.7
325.10776	1.5
335.09216	1.7
339.12485	8.3
341.10077	3.3
341.13812	3.1
353.10156	4.4
353.13943	2.5
359.14896	2.7
371.11066	2.2
371.14859	14.4
372.15222	1.6
389.07617	2.9
389.16168	40.7
390.16324	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	389.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17468	1.1
55.01867	8.2
65.03925	2.1
67.05492	3.3
69.03439	2.5
69.07076	2.2
70.87298	2.5
79.05479	2.8
81.03413	2.9
81.07038	4.1
83.04990	1.6
83.08615	2.0
85.02902	3.2
91.05478	4.7
93.07018	3.1
95.04971	3.2
95.08573	2.0
99.04431	1.6
100.98848	1.1
103.05454	9.6
105.07020	2.4
105.57337	1.3
107.04961	6.7
107.08581	4.1
108.08149	1.2
109.02854	1.6
109.06475	1.4
110.67842	1.0
110.68719	1.0
115.05478	1.3
117.07019	2.5
119.04947	2.3
121.06470	1.6
121.10129	2.9
123.04400	1.8
123.08070	1.4
127.03867	1.5
129.06999	1.9
131.04913	16.2
135.04393	2.1
137.05983	7.7
140.04701	1.2
145.10243	1.5
147.04366	3.1
151.07553	4.2
157.06522	1.4
158.23091	1.2
160.05240	1.8
161.05959	1.8
163.07516	7.9
163.14787	2.0
165.06981	1.5
167.07033	8.2
170.09727	1.4
174.06792	1.5
175.07516	29.1
177.05469	5.1
181.04979	13.0
181.08653	1.5
183.06602	3.1
185.10750	2.3
189.09048	2.7
191.14371	1.4
195.10263	3.2
198.07878	4.2
199.08633	14.6
200.09236	1.4
201.09012	2.2
205.08798	1.9
207.06500	11.4
208.07327	3.3
209.08128	6.3
209.10777	3.3
209.15382	2.6
211.08623	2.2
212.09380	5.4
213.06616	4.2
213.10260	13.6
214.07399	1.5
215.08249	2.1
219.08157	2.6
219.10143	18.9
220.70840	1.4
226.07362	1.4
227.08159	16.7
227.11699	10.6
227.16414	2.4
228.08949	4.2
229.09671	4.6
231.08110	1.4
237.10252	2.8
239.08211	1.5
239.11786	2.7
240.08633	5.5
241.06181	7.8
241.09708	37.5
242.10423	2.6
243.11368	1.6
245.12883	8.7
249.09155	1.6
253.09752	1.7
255.07654	2.9
255.11273	40.7
256.11780	2.2
257.09232	7.2
259.10703	1.7
261.09119	1.5
265.09647	3.1
267.11115	2.3
269.09177	12.0
270.09961	2.3
271.11093	1.8
273.12338	5.5
277.08624	3.5
283.07611	2.7
283.10757	47.2
284.11111	2.8
287.10397	1.4
293.08948	1.6
295.10779	7.4
297.08420	1.4
300.11230	2.0
301.08560	2.7
301.11771	5.4
309.11053	2.7
311.10214	26.5
311.13657	1.9
313.11697	10.3
329.11285	100.0
330.11621	2.7
339.09683	4.4
339.12872	2.5
341.13892	1.9
357.10767	65.4
358.11179	1.9
359.14819	2.6
371.14777	5.0
389.13040	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
61.57936	0.3
67.05502	0.6
69.07044	0.5
70.23563	1.1
79.05477	1.2
81.07047	0.9
91.05506	1.9
93.07039	0.7
94.04188	0.9
95.04970	0.7
95.08608	0.6
103.05453	0.4
105.07018	1.1
107.08572	0.6
109.06511	3.6
109.10157	0.7
119.04922	0.8
119.08571	1.1
121.06495	7.3
121.10129	0.7
122.03629	0.3
132.64906	0.3
133.06497	0.8
133.10107	0.7
135.04399	1.1
135.11737	0.3
136.05200	0.4
137.05956	1.6
139.07520	2.2
143.08572	0.4
145.10179	1.6
145.37415	0.3
147.04428	0.8
147.11700	0.4
148.05138	0.6
149.02306	0.4
149.05870	0.4
149.07071	0.3
150.03101	0.9
151.07545	14.8
152.07866	0.4
155.07018	0.5
159.11682	0.4
161.06000	2.2
162.03120	1.0
163.03937	2.9
163.07556	0.6
164.04707	2.0
165.05524	2.4
167.07130	0.4
175.04012	0.5
177.05460	0.5
179.07027	11.6
180.07458	0.4
181.04959	2.0
185.13275	0.5
187.14799	2.0
189.05496	2.1
189.16461	0.3
190.02589	0.6
191.03473	0.5
191.07021	0.9
192.04169	7.7
193.04944	3.4
199.14790	0.4
201.16278	0.5
207.06520	100.0
208.06851	1.8
211.14725	0.4
213.16328	0.4
235.06004	65.7
236.06372	1.7
293.22745	0.5
308.36508	0.4
357.09509	1.0
389.12262	1.2
389.32007	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	389.1226
Annotation	Marionol
Peak:m/z	Relative Intensity
54.54705	0.3
55.05471	0.3
56.34339	0.3
56.71548	0.3
67.05486	0.4
69.07028	0.3
69.23071	1.7
69.23494	1.0
79.05472	0.6
81.07053	0.3
91.05479	0.3
95.04914	0.3
95.08575	0.5
98.21634	0.4
105.06981	0.6
107.04970	0.3
109.10141	0.5
119.08507	0.5
121.02856	0.4
121.10121	0.4
122.03603	0.6
131.08545	0.5
133.10132	0.7
135.04382	0.3
137.02333	2.0
137.05962	0.7
139.03891	1.6
143.08499	0.3
145.10181	0.6
145.57137	0.3
147.11696	0.4
147.49776	0.3
149.02303	0.9
151.07492	0.8
153.01785	2.7
155.06992	1.0
159.11617	0.4
163.03755	0.6
164.04720	0.4
165.01790	0.5
165.05461	12.4
167.26276	0.3
169.01265	0.2
169.10141	0.4
171.02867	0.4
175.45840	0.2
178.06274	0.3
179.07098	0.4
181.01314	2.0
185.13200	0.3
187.14809	1.0
191.06834	0.4
195.11600	0.3
199.03944	0.3
199.14745	0.4
213.05383	0.6
213.16280	0.3
214.06200	0.3
215.07016	0.4
217.04984	0.4
220.77594	0.3
226.06192	0.3
229.08525	0.4
235.05916	0.4
241.04980	0.4
242.05676	1.0
243.06473	1.0
245.04396	0.3
255.06508	0.4
257.04559	0.3
257.08066	0.8
258.05249	0.3
260.06754	0.5
269.04535	0.6
270.05240	1.2
271.05884	1.3
272.06677	0.7
273.03912	0.6
274.04675	0.6
275.09085	1.2
281.04358	0.4
281.22931	0.3
285.03958	0.7
285.07562	1.2
286.04599	0.3
287.05487	2.3
288.06155	0.6
297.03961	0.4
298.04706	0.6
299.05505	1.5
300.05972	0.4
301.03488	2.6
303.08563	1.3
313.03482	0.8
313.07059	0.7
314.04141	1.0
315.04947	4.6
315.08221	0.2
316.05707	1.3
319.24045	0.3
326.04456	0.7
327.04971	1.9
328.05768	0.3
329.02866	3.0
329.06564	1.4
330.03842	0.3
330.07404	1.6
331.08115	6.7
332.08035	0.4
333.13599	0.3
341.06854	0.3
342.07437	0.3
343.04486	4.0
343.08170	0.9
344.05228	3.1
345.09668	2.3
358.06857	0.6
359.07574	98.6
360.07965	3.6
373.09216	3.5
374.09921	8.2
375.10370	0.5
389.12265	100.0
389.31799	2.7
390.12527	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01869	7.2
57.03421	4.0
61.02932	7.4
67.05499	2.1
68.55128	1.3
68.99785	3.4
69.03430	33.1
70.95668	2.1
70.96007	1.1
71.04985	4.3
73.02905	5.6
78.18385	1.3
79.05476	1.9
81.03423	25.5
81.07061	1.7
84.04454	1.5
85.02907	100.0
87.00830	39.0
87.01360	2.1
91.05470	2.1
95.04962	1.4
95.08643	1.8
97.02892	25.4
99.04453	10.6
105.01868	62.7
105.07047	11.6
107.04960	1.9
108.04471	1.9
109.02893	24.2
109.10184	1.4
115.03917	1.5
117.01841	2.2
121.06502	1.5
122.03695	2.1
123.11693	1.6
127.03922	69.6
128.04202	1.4
129.01833	2.3
137.05968	9.9
138.06320	5.3
145.04961	35.9
147.02930	1.7
159.02905	18.1
167.07031	2.5
168.07393	1.3
181.04895	1.7
189.03949	3.7
213.03996	3.9
213.09181	1.6
231.04984	24.3
248.07619	2.5
249.06108	6.6
256.95267	1.3
293.34143	1.6
358.13681	1.9
370.14023	2.0
388.15027	4.1
389.13156	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	388.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.1
57.03427	1.5
66.92339	1.5
66.98415	1.2
69.38978	8.2
69.39384	2.8
69.44546	1.3
81.07030	2.6
85.02861	1.7
85.33413	1.4
91.05430	1.7
95.04968	1.8
98.21522	2.7
105.07043	2.2
107.04974	2.2
123.04475	1.6
131.04939	1.6
133.82352	1.3
137.05975	8.5
138.06297	4.4
139.03871	7.9
140.04118	2.5
140.05037	2.9
151.03778	1.4
154.06516	2.4
155.06032	21.2
167.05894	7.4
168.06845	2.4
169.07603	41.3
170.06023	3.9
175.07477	1.8
179.06017	16.7
181.07576	2.2
182.08365	3.0
183.05553	20.8
184.06053	1.4
184.07677	1.8
185.07150	12.8
193.07579	13.4
194.06131	3.3
195.05536	32.5
196.06291	15.7
197.07092	32.4
198.05489	9.0
198.07407	3.0
201.06609	2.6
207.05444	7.8
208.06303	2.1
209.07106	4.7
210.07852	2.2
211.05006	1.9
211.08691	6.8
213.06592	28.7
218.10168	3.2
220.10359	2.0
221.07065	23.8
223.05045	1.6
225.06577	58.8
226.07126	2.5
227.08041	2.4
229.06090	19.4
237.06580	6.3
238.07295	4.9
239.04533	4.1
239.08145	31.0
241.06097	3.9
243.07751	7.2
249.06570	8.4
253.06036	7.9
255.07646	2.9
257.05603	7.2
265.05984	2.8
267.07669	22.1
268.07544	1.6
269.05579	4.3
271.07147	34.4
277.06113	13.1
283.10721	1.9
285.05450	2.0
285.08682	36.2
286.08667	2.0
295.07108	40.2
296.07220	2.9
313.08145	44.9
314.08353	2.1
324.09671	4.2
328.09268	76.2
329.11224	2.9
331.09253	9.3
342.10794	3.0
352.09042	3.2
370.10303	68.8
371.10635	4.3
388.11304	100.0
389.11478	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	387.2011
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
51.59433	3.1
53.03925	13.3
55.01854	9.4
55.05517	42.2
57.03420	9.9
61.02924	14.5
67.05485	11.9
69.03433	43.1
69.07042	3.7
69.51821	8.0
69.52227	17.4
70.06572	5.8
71.04979	11.4
73.02916	7.5
78.04704	5.0
79.05483	11.8
81.03406	23.2
81.07039	9.4
83.04504	5.5
83.04979	91.3
85.02903	100.0
87.04469	16.8
91.03942	3.6
91.05476	6.2
93.07031	10.4
95.04960	7.5
95.08600	6.5
97.02373	3.6
97.02898	36.0
99.04445	21.9
105.07007	10.0
107.04964	4.3
107.08598	34.1
109.02850	14.5
109.06498	13.3
109.10114	14.7
111.08076	6.9
119.08572	8.4
119.78719	2.7
121.06493	4.9
121.10120	9.3
123.04420	7.6
123.08054	37.1
123.11702	4.4
124.03920	4.5
125.05985	3.6
125.09631	22.3
127.03911	21.8
127.11126	3.3
133.06511	3.9
133.10089	6.5
136.07520	3.6
137.09619	5.6
139.11154	5.8
145.04950	13.3
145.06490	3.3
145.10162	3.5
147.07974	3.6
147.11682	4.6
149.09624	21.1
151.07530	8.2
151.11133	3.7
152.04630	3.0
152.08296	4.5
153.05522	3.8
154.34483	3.3
161.05869	4.3
161.09578	3.4
161.13182	4.1
163.11203	7.3
165.12801	16.4
167.05666	6.3
167.07042	98.6
167.10666	7.7
181.05067	4.2
189.12723	9.1
197.11754	11.7
207.06511	9.3
207.13799	22.5
211.09601	4.2
225.07506	5.1
225.12616	4.8
225.14859	99.9
261.09509	3.4
323.05283	3.6
387.15979	19.4
387.20297	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
54.08622	1.1
55.01855	1.6
55.05503	2.5
57.03419	2.4
59.45808	1.2
65.03936	2.0
67.05495	4.6
68.05038	1.0
69.03425	5.7
69.07057	2.7
71.05008	1.7
71.51031	2.0
77.03912	1.0
77.37026	1.0
78.04720	1.1
79.05488	7.1
81.03429	2.5
81.07060	5.3
83.04975	2.7
83.08605	1.3
85.02902	8.7
91.05456	7.1
93.03405	1.1
93.07027	4.3
95.04958	4.9
95.08607	3.8
97.02885	4.4
97.06516	1.4
99.04462	2.1
103.05431	2.0
105.07024	6.8
106.04113	1.7
107.04949	10.2
107.08616	2.8
109.02889	3.3
109.06506	2.3
109.10135	3.6
110.03676	1.7
111.04444	1.1
111.08011	2.1
115.05450	2.1
117.07018	3.1
119.04949	1.6
119.08566	5.0
121.02876	1.3
121.06505	2.7
121.10171	3.4
122.03630	3.4
123.04398	3.1
123.08046	2.0
123.11647	1.5
124.05231	1.5
125.06003	2.0
127.03915	2.5
129.06985	1.6
131.04993	2.4
131.08595	3.2
133.06480	2.0
133.10115	3.1
135.08052	1.8
137.05963	33.9
137.09616	9.9
138.03123	3.2
138.06294	1.9
139.03934	5.3
141.06955	1.9
143.04919	1.4
143.08569	1.7
144.05740	3.0
145.04950	2.5
145.06474	5.5
147.04396	2.2
147.07997	2.3
147.11739	1.6
149.06012	1.9
149.09630	4.8
151.03874	8.3
151.07524	3.5
152.04620	1.1
153.05452	23.5
153.06630	2.2
153.09082	2.1
154.05840	1.7
156.05681	2.8
157.06555	1.6
159.08052	4.7
160.05154	2.1
161.06035	6.3
161.09610	3.1
161.13266	1.8
163.07445	1.3
163.11104	1.9
165.09106	100.0
166.09491	2.8
167.07031	30.5
167.10759	1.3
173.05952	4.7
175.07480	3.1
177.05411	1.1
179.07050	1.5
179.08586	1.1
181.05003	7.6
187.07503	5.1
188.04753	2.0
189.12743	5.9
190.06166	1.2
191.06996	4.8
191.10687	1.1
197.05937	1.1
201.05440	1.3
202.06148	1.6
203.07019	25.4
203.08794	1.8
204.07465	1.4
205.06738	1.6
205.08611	4.4
206.07243	1.8
207.06528	3.8
207.13773	18.8
208.42499	1.1
211.07451	1.4
212.04617	1.5
215.07030	2.8
217.06801	1.0
217.08595	6.4
218.07269	1.1
219.08046	2.5
219.10144	2.9
220.08678	1.2
221.09637	1.7
225.05580	1.9
225.07469	1.3
225.14882	5.4
227.06909	2.4
228.07542	1.1
231.08060	2.0
233.07951	6.8
234.06775	1.7
235.07259	2.1
235.09613	1.2
240.04147	2.7
241.04950	1.5
247.07513	1.7
247.09764	2.2
248.08203	3.1
249.09125	3.5
249.14879	1.5
250.05956	1.2
251.06992	2.3
253.04913	1.5
255.06482	16.3
256.06747	1.5
257.08075	2.6
258.05225	2.5
262.06180	1.4
263.07053	1.6
264.07761	1.7
265.08508	3.2
267.06464	1.4
268.07217	5.5
269.08060	1.3
271.05981	1.5
272.03104	1.0
273.07495	2.8
276.07736	2.0
277.08633	5.1
278.05896	1.4
279.06702	1.7
279.10144	1.7
282.08850	1.8
285.07565	1.4
287.05432	3.0
291.10120	3.4
293.08060	4.1
294.08762	2.5
295.09482	2.6
299.09152	2.1
301.07016	26.9
302.07501	3.6
305.08066	2.1
308.10526	1.7
309.11133	5.9
311.09146	1.7
314.07950	1.6
315.08740	2.3
316.09387	34.7
317.09949	5.5
319.09595	3.0
322.08228	1.8
323.09161	3.0
323.12839	2.0
325.10620	4.9
327.08716	1.8
329.10159	6.1
337.10611	9.5
338.11179	2.9
339.08759	1.6
339.12234	1.6
351.12195	3.4
354.10907	2.5
355.11795	3.8
357.13354	8.0
369.13443	16.9
387.14539	17.6
388.14511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36156	1.0
65.03938	1.6
67.05502	1.9
69.03425	9.0
69.07079	1.8
70.06577	1.6
70.24625	3.8
70.25001	2.1
79.05497	3.1
79.76917	1.2
81.03416	3.5
81.07033	3.1
83.04962	1.4
85.02895	3.9
91.05473	3.2
93.07043	2.8
94.04176	2.4
95.04954	1.7
95.08595	2.6
96.92760	1.1
97.02885	2.0
97.06520	1.6
99.04462	2.0
103.05467	1.3
105.07019	3.6
107.04929	2.9
107.08585	1.8
109.06501	3.0
109.10139	3.6
115.05449	2.7
117.07026	2.6
119.04986	1.2
119.06213	1.1
121.06463	2.6
121.10097	1.4
122.03600	7.3
123.08058	1.3
125.05957	1.8
133.06464	1.3
133.10081	2.4
137.05974	100.0
137.09608	3.8
138.06322	3.3
139.03929	2.0
139.11118	1.4
143.04897	3.9
145.06448	3.3
147.11751	1.4
149.05820	1.1
151.03896	6.7
151.07545	1.4
153.05415	1.1
155.01588	3.3
161.09651	2.9
161.13196	1.3
163.11218	1.2
165.09113	3.5
167.07042	17.7
169.03165	1.9
173.06029	3.7
175.07533	1.3
177.76863	1.1
181.04964	19.9
189.12738	2.9
191.06900	1.1
203.06966	4.5
205.08467	1.9
207.06474	1.5
207.10146	1.2
207.13809	8.7
211.04230	6.7
225.14772	2.4
233.08083	3.7
244.83891	1.1
313.10757	1.5
357.13306	13.2
386.25650	1.2
387.14444	30.4
387.19888	3.4
388.14725	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
51.85304	1.1
53.03935	3.3
55.01872	3.1
55.05498	4.2
57.03429	3.5
57.07067	2.3
59.04990	1.5
61.02918	4.6
67.05502	6.3
69.03429	26.2
69.07057	4.5
70.06593	3.5
70.63333	1.1
70.63683	3.8
71.04982	5.3
73.02901	2.9
79.05491	5.6
81.03427	9.6
81.07056	16.8
83.04980	3.8
85.02906	100.0
85.06537	2.4
87.04473	2.7
91.05457	7.6
93.07044	9.7
95.04944	2.0
95.08606	26.0
97.02892	12.1
97.06509	2.6
99.04453	7.7
103.05469	1.5
105.07025	12.2
107.04969	1.6
107.08617	5.9
109.02857	4.7
109.06515	4.8
109.10161	14.1
111.04435	2.5
115.05476	1.8
115.71942	1.2
117.07005	2.2
119.04975	1.7
119.08577	18.4
121.06506	2.2
121.10149	13.1
123.04409	3.4
123.08057	8.3
123.11708	55.9
124.12061	1.5
125.05996	48.4
125.09626	2.6
127.03928	10.7
128.04303	1.2
131.04865	1.2
131.08543	4.4
131.97697	1.2
133.06499	3.6
133.10144	6.2
135.08070	1.8
135.11700	18.1
137.05974	10.0
137.09607	4.1
137.13246	2.4
139.03912	1.8
139.07550	6.7
139.11176	1.6
143.08578	1.4
145.04945	3.8
145.10124	3.8
147.04431	3.1
147.08055	5.1
147.09131	1.2
147.11670	16.4
149.09628	14.3
151.03867	2.1
151.07535	10.4
156.09297	2.4
159.08008	1.6
161.09627	3.4
161.13266	21.7
163.07544	1.7
163.11180	1.6
165.05524	1.6
165.09120	3.7
165.12729	2.7
167.07037	5.1
167.10677	3.1
169.08635	1.5
171.11703	3.4
174.10403	2.0
177.05379	1.5
179.07068	1.7
179.14278	2.4
181.04999	3.4
189.12747	26.6
207.06520	2.1
207.13795	60.1
221.62210	1.4
225.07698	1.3
225.14848	69.0
226.15248	1.8
234.99034	1.3
333.17038	7.5
343.41165	1.3
351.18063	13.4
369.14514	1.9
369.19141	5.1
371.35550	1.2
387.15277	4.1
387.20154	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
53.03942	3.3
53.95728	1.5
55.05513	2.2
57.03428	2.8
64.42327	1.5
64.92249	1.8
67.05501	3.8
68.34306	1.8
69.03422	25.9
69.07063	2.6
70.06593	14.0
70.95740	3.8
70.96080	2.0
71.04982	2.7
71.06905	2.6
73.02905	2.0
76.50704	1.7
79.05468	3.8
81.03409	6.5
81.07053	15.5
83.04942	2.4
85.02904	100.0
87.04467	2.4
91.05482	4.7
93.07038	5.2
95.08603	10.4
97.02903	11.6
99.04448	6.8
105.07031	10.5
107.04962	1.9
107.08578	5.8
109.02863	3.5
109.06520	4.0
109.10149	26.5
110.56913	1.5
111.04438	2.3
117.07027	1.7
119.08588	12.3
121.10118	8.5
123.04437	3.7
123.08067	4.0
123.11700	87.1
125.05993	17.7
127.03915	13.3
130.07814	2.0
131.08546	4.8
137.05945	1.9
139.07571	1.9
145.04939	5.2
145.10129	6.4
147.08044	2.1
147.11691	17.1
149.09625	10.8
151.07553	12.1
156.09317	2.4
161.13275	3.5
165.12755	4.1
171.11777	3.7
174.10396	1.9
175.03943	2.5
177.05496	5.8
178.05893	2.5
189.12762	18.1
201.14587	2.0
207.06532	4.1
207.13776	73.4
215.66519	1.8
219.13521	2.6
225.14822	26.4
251.09221	2.5
277.41193	1.6
333.16919	21.7
351.18045	41.3
352.18292	2.8
369.18985	11.1
387.15869	6.3
387.20270	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	387.2009
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03936	3.7
55.01860	5.2
55.05508	22.6
57.03429	8.5
59.04980	1.6
61.02924	9.5
67.05502	8.0
69.03427	27.7
69.07045	2.7
70.06592	1.8
70.82994	3.7
71.05003	5.9
73.02901	4.4
78.04723	1.4
79.05472	4.5
81.03409	11.3
81.07059	8.9
83.04976	55.8
83.05476	2.7
83.08573	1.5
85.02900	54.9
85.06577	1.1
86.09663	1.1
87.04462	8.9
91.03931	2.5
91.05463	6.6
93.07033	7.5
95.01323	1.5
95.04963	17.2
95.08593	7.2
97.02890	21.4
97.06519	2.6
99.04442	14.1
105.07015	5.6
106.04166	1.9
107.04966	2.9
107.08588	15.0
109.02875	9.5
109.06525	7.4
109.10163	12.2
111.08046	4.3
111.31627	1.1
119.08571	4.2
121.06501	2.5
121.10129	9.3
123.03619	1.5
123.04395	7.9
123.08065	16.3
123.11685	2.9
124.03977	1.3
125.05996	1.4
125.09618	15.1
127.03916	11.6
127.11179	1.4
131.08542	1.2
133.06508	2.3
133.10139	2.0
135.08051	2.5
135.11678	3.3
137.05968	3.5
137.09598	4.4
139.11235	1.6
145.04971	7.3
145.10089	2.1
147.08009	1.8
147.11641	5.7
149.05965	2.9
149.09627	15.7
151.03922	2.3
151.07544	4.5
151.11221	2.1
152.04698	2.2
152.08322	2.4
153.09093	4.2
161.05934	1.5
161.09592	1.3
161.13274	4.4
163.11218	2.0
165.12784	8.6
167.07027	82.5
167.10696	3.4
168.07411	2.6
171.11682	1.6
179.03387	1.7
179.07004	1.8
181.04965	1.2
185.04187	10.9
189.12752	6.9
193.08607	3.4
197.11726	3.4
207.06569	1.4
207.13771	19.3
207.15538	2.0
208.13995	1.5
211.09633	3.4
225.10991	77.5
225.14778	55.7
226.11217	1.3
226.15016	1.9
252.94077	1.4
369.19171	1.5
387.16177	100.0
387.20187	8.5
388.16464	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	387.18
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
55.05506	1.1
56.44065	0.5
65.03933	1.7
66.04726	0.5
67.05489	1.4
69.07053	0.9
70.06553	0.5
75.26050	0.5
78.04707	0.7
79.05479	1.8
81.07037	1.0
82.85931	0.5
91.05478	9.6
93.07024	0.7
95.04972	1.2
95.08591	1.0
99.08070	0.9
103.04812	0.8
103.05464	13.2
105.03381	1.0
105.07032	1.1
106.04178	1.3
107.04971	5.4
107.08541	0.7
108.05726	2.3
108.82478	0.6
109.06511	0.8
109.10077	0.6
111.08050	0.5
117.06953	0.6
118.04150	0.7
119.04936	37.7
119.08542	1.3
120.05273	0.6
121.06512	1.0
121.10146	0.9
123.04434	2.3
124.05232	0.7
125.05988	1.5
128.06131	0.6
131.04922	13.5
132.05214	0.6
133.06442	0.7
133.10092	0.6
135.04425	2.5
135.08044	0.7
136.05179	0.8
137.05975	5.9
138.03123	0.9
145.10086	0.8
147.04407	37.8
147.08003	1.2
148.04817	0.6
149.05998	0.7
150.06784	0.9
151.07538	100.0
152.04666	0.6
152.07858	2.4
153.05466	5.5
159.11644	0.6
161.05933	0.7
163.07541	8.5
165.05409	0.9
165.09103	1.1
167.07033	27.6
177.09137	1.1
179.07025	37.1
180.07402	1.0
183.11745	0.7
189.09134	0.7
193.08659	1.3
199.07391	0.5
203.10722	3.5
205.08636	0.9
207.10132	1.4
214.06296	0.6
219.10194	3.4
223.09659	6.6
226.06294	3.2
227.06966	2.5
229.12268	1.1
242.05753	2.4
243.06541	2.0
255.06529	0.7
257.08096	6.7
258.08887	0.7
265.08566	0.8
266.09372	1.0
271.09579	0.8
281.07892	0.6
285.11240	0.6
289.10645	6.9
297.11282	1.3
301.10812	0.6
313.52460	0.5
337.14276	1.4
355.15356	0.8
369.16995	1.4
369.23920	0.8
387.17908	3.6
387.25266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.6
55.01859	3.2
55.05276	1.1
55.05510	11.8
57.03418	2.7
57.07029	1.0
59.04991	1.1
61.02914	3.6
67.05492	3.5
69.03426	14.9
69.07063	1.6
69.41422	8.7
71.04974	3.6
73.02889	3.0
78.04708	2.2
79.05481	4.2
81.03004	1.0
81.03419	7.5
81.07050	5.5
83.04500	1.5
83.04977	25.7
85.02901	29.9
85.06519	1.4
87.04454	3.9
91.03959	1.7
91.05463	3.8
93.07038	4.1
95.01331	2.0
95.04974	8.6
95.08598	5.9
97.02888	11.0
97.06536	1.8
99.04467	5.6
105.07021	5.0
107.04935	2.5
107.08584	7.9
109.02869	4.9
109.06503	4.5
109.10150	7.9
111.04385	1.6
111.08044	2.6
117.07063	1.1
118.10935	0.9
118.48637	1.1
119.04924	1.1
119.08591	4.9
121.06487	1.6
121.10155	5.3
123.04459	5.8
123.08051	10.7
123.11717	2.2
124.03950	1.7
124.05199	1.6
125.09618	6.2
127.03903	7.3
131.08565	2.4
135.08011	2.5
135.11673	2.3
137.05992	1.9
137.09592	1.9
139.03899	1.3
139.11147	1.8
143.04855	1.1
145.04947	4.4
145.06488	1.7
147.08086	1.4
147.11661	3.7
149.05942	2.6
149.09607	9.5
151.03870	3.0
151.07539	3.2
152.08305	1.6
153.09137	1.9
160.60533	1.0
161.05975	1.8
161.13200	3.8
163.03976	1.2
163.11266	1.8
165.05559	1.0
165.12732	4.8
167.07025	68.5
167.10655	3.3
168.07426	3.4
177.05420	2.7
179.03395	1.5
181.08459	1.7
185.04227	12.0
189.12782	5.5
193.08578	2.4
197.08121	1.2
197.11745	1.8
207.13799	10.8
208.13458	1.6
211.09631	2.3
225.10988	88.8
225.14667	27.6
226.11382	3.4
387.16205	100.0
388.16541	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	387.1436
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01857	1.0
57.54482	0.4
65.03944	2.3
66.04711	0.5
67.05492	0.9
69.03429	1.1
78.04700	0.6
79.05491	2.6
81.03397	1.2
81.07049	1.1
82.04212	0.9
83.27004	0.4
85.02936	1.7
91.05476	2.1
93.03407	0.5
93.07040	0.5
94.04188	3.0
95.04960	1.6
95.08625	0.6
97.02911	0.4
97.06534	3.1
103.05464	3.5
103.77297	0.4
105.07027	1.8
107.04943	1.6
107.08577	0.6
108.02016	0.3
109.02908	0.4
109.06519	0.6
109.10152	0.5
111.04395	0.4
115.05460	2.6
117.07001	2.5
118.04139	0.6
119.04926	0.7
119.08569	0.6
121.06486	0.8
121.10168	0.4
122.02769	0.6
122.03648	8.6
123.04433	2.8
124.05209	0.5
125.05991	0.6
125.96513	0.3
127.05482	0.6
130.04094	0.5
131.04907	3.1
132.05701	0.4
132.28783	0.3
133.06528	0.5
135.08058	0.7
137.05971	100.0
138.03160	0.5
138.06303	1.0
139.03893	5.2
141.05405	0.4
142.02585	0.5
143.04916	2.7
145.06487	3.4
147.04381	0.4
147.08058	0.5
148.05185	1.5
149.05952	0.4
151.03894	9.5
151.04980	0.6
152.04652	0.7
153.05495	0.5
155.06042	1.3
161.05971	0.9
163.03940	0.9
163.07549	2.9
165.05453	0.5
165.09142	0.5
167.07039	18.0
171.04498	0.4
171.06488	1.0
173.05984	4.4
175.07581	1.6
177.05327	0.4
181.04950	24.4
182.05266	0.4
187.07616	0.5
191.07022	7.8
193.04950	0.4
195.06468	0.4
203.07028	1.3
203.42445	0.4
205.08557	2.7
207.06470	0.9
207.10168	0.4
209.08090	0.6
217.08656	0.4
219.10168	3.0
221.08075	0.6
225.14880	0.5
233.08177	2.1
235.07576	0.5
235.09569	2.3
248.08286	0.4
263.06897	0.4
265.08661	0.4
267.10056	0.4
271.09729	0.5
277.08682	0.5
279.06412	0.5
292.24615	0.3
325.10852	0.5
351.12228	1.2
355.11795	0.7
357.13297	12.0
369.13321	1.5
387.14362	26.4
388.14554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10247	1.7
52.90503	1.8
54.31477	1.9
55.01863	3.4
65.03941	2.1
67.05486	2.4
69.03423	2.5
69.07075	2.3
69.29689	2.1
69.30089	16.8
70.99377	1.7
79.05484	3.8
81.03411	2.5
91.05484	24.7
95.04949	4.7
97.06527	36.3
103.05443	3.6
105.03377	2.6
105.07034	2.3
107.04961	2.3
109.10174	2.2
111.04421	5.4
119.04932	31.7
121.30602	1.9
122.03626	4.9
123.04442	14.2
131.04918	2.6
132.02037	2.3
133.06447	2.5
135.04405	2.7
137.05962	61.1
139.03900	75.7
143.04927	3.0
145.06418	4.5
147.04404	32.3
148.05051	1.8
151.03839	2.2
153.05504	2.8
157.03937	3.9
161.05936	3.7
163.03877	5.8
167.03401	1.9
167.07071	20.2
167.08476	2.8
173.05972	5.0
175.03902	51.2
175.07405	3.4
179.06947	3.6
181.04942	19.0
191.06978	2.6
201.09081	6.8
205.08537	3.0
207.06520	100.0
208.06807	2.6
215.10744	2.5
217.08519	2.2
219.10184	9.6
222.06705	2.8
223.07263	2.3
228.99928	2.1
235.09616	2.8
237.09167	3.1
239.06920	2.4
250.05830	2.5
265.08566	7.3
271.61880	1.9
309.11221	6.8
325.10440	2.4
351.10745	3.0
357.13342	9.6
369.12912	6.8
387.14377	52.4
392.68442	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	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03924	0.3
55.01867	0.6
59.69525	0.3
65.03929	1.2
66.04722	0.5
67.05495	0.8
69.03428	0.6
69.07054	0.3
69.81362	1.5
78.04700	0.3
79.05488	1.5
81.03407	0.5
81.07041	1.2
82.04158	0.3
85.02910	1.1
91.05489	2.3
93.07030	0.5
94.04193	3.1
95.04955	1.1
95.08596	0.5
97.02917	0.3
97.06527	2.2
102.96352	0.3
103.05463	0.7
105.03387	0.4
105.07016	1.1
106.04189	1.6
107.04958	1.2
107.08600	0.6
109.02865	0.2
109.06518	0.7
109.10123	0.4
110.03664	0.6
111.04485	0.3
115.05440	1.9
115.79355	0.3
117.07013	1.7
119.04955	0.7
119.08576	0.5
119.48980	0.3
121.06522	0.8
121.10120	0.3
122.03645	8.6
122.04496	0.6
123.04421	1.4
125.05980	0.4
131.04941	1.2
131.08589	0.3
132.05727	0.6
133.06520	1.5
133.10136	0.3
135.04369	0.5
137.05975	100.0
138.06303	1.7
139.03893	4.1
142.02586	0.5
143.04924	3.4
145.06468	2.5
147.04414	0.7
147.08055	0.4
149.05988	2.2
151.03897	2.7
151.05013	0.4
153.05466	0.4
155.06049	0.7
157.06404	0.4
161.06013	1.6
161.09663	0.3
163.03906	0.5
163.07536	0.5
165.05482	0.4
165.09125	0.7
167.07042	10.5
167.10718	0.3
171.04370	0.5
171.06532	1.0
173.05984	3.1
175.03981	0.4
175.07547	0.9
175.84135	0.3
177.05475	2.7
179.07079	0.6
181.04958	14.4
191.07037	1.0
192.07802	0.8
203.07065	2.0
205.08578	2.3
207.06535	1.3
207.10153	0.4
217.08469	0.5
219.10085	1.7
223.84508	0.3
233.08148	1.2
235.07526	0.4
235.09627	2.3
237.09186	0.3
251.07098	0.3
264.07867	0.3
337.10587	0.4
350.46396	0.3
351.98691	0.3
357.13312	12.0
369.13474	0.5
369.22702	0.4
387.14380	24.1
388.14807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03955	0.4
55.05523	0.2
57.03435	0.4
59.56325	0.2
65.03931	0.2
67.05479	0.3
69.03422	1.4
70.06592	0.9
71.04982	0.4
71.50619	0.3
76.15827	0.2
78.04707	1.4
79.05503	1.4
81.03407	0.8
81.07053	0.7
83.04977	0.5
84.04500	1.4
85.02921	1.6
85.06522	0.3
85.19244	0.2
91.05468	1.2
93.07047	0.9
95.01337	1.8
95.04969	1.2
95.08614	0.3
96.05714	0.2
97.02876	0.8
99.04456	0.4
103.05488	0.9
105.03387	0.3
105.07023	1.3
106.02909	0.4
106.04169	1.2
107.04964	1.4
107.08611	0.4
109.02879	0.5
109.06510	0.5
109.10133	0.3
111.04457	0.2
113.07124	0.6
115.03941	0.2
119.04983	0.3
119.08532	0.4
121.06525	1.3
121.10113	0.5
122.03667	0.3
123.03584	0.4
123.04437	4.6
123.08058	0.5
123.11666	0.2
124.03970	1.5
124.05212	1.7
126.05526	1.8
127.03912	0.9
133.06483	1.3
134.03586	0.2
134.65825	0.2
135.08043	0.3
137.05972	0.9
138.05492	0.4
141.01848	0.4
145.04947	0.3
147.08081	0.2
149.05998	1.8
149.09624	0.5
151.03941	1.5
151.07515	0.4
152.04646	1.5
153.05437	0.2
161.06006	1.0
163.03882	0.2
163.11159	0.5
166.06252	0.2
166.12285	0.5
167.07033	100.0
168.04230	0.3
168.07430	2.3
177.03928	0.3
177.05415	0.3
179.03391	0.7
179.07083	0.6
181.04935	0.3
181.08563	1.6
189.12709	0.3
193.08611	4.0
195.06500	0.2
202.92641	0.2
204.08655	0.9
207.06529	0.2
207.13916	0.8
211.07820	0.4
211.09659	3.1
219.54626	0.2
225.07559	0.4
225.14813	0.9
268.08170	0.4
285.10730	0.3
343.13580	0.3
387.16406	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	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05503	3.1
55.36028	2.1
57.23825	1.9
61.53545	1.9
63.12093	1.9
69.03444	10.5
69.80022	11.8
70.06594	88.6
71.04986	3.6
71.06917	21.3
74.98120	2.2
79.05457	2.3
81.03409	7.4
81.07065	4.4
83.04964	2.9
85.02900	18.7
91.05479	28.7
93.07037	7.2
95.04951	4.4
95.08643	3.5
97.02912	4.8
99.04472	3.4
104.40526	2.2
105.07036	5.2
107.08563	5.0
109.02863	2.3
109.06506	3.1
109.10162	3.9
117.67258	2.1
119.04946	38.6
119.08598	3.7
121.06492	5.3
121.10132	3.4
123.04443	16.5
123.08076	4.7
123.11684	3.7
124.04780	7.0
127.03896	4.7
135.04431	3.4
135.08070	3.4
137.05948	6.4
137.09621	5.1
145.04947	3.7
145.10197	2.3
147.04398	35.0
148.04745	3.2
149.05989	5.9
149.09584	2.3
151.03915	2.9
155.07010	3.4
161.06053	2.8
162.34680	2.4
165.05487	5.4
165.09019	3.3
167.07069	7.9
175.03908	49.3
175.06192	2.6
176.04425	2.7
177.05473	43.1
177.12711	4.2
178.05823	24.9
179.07140	3.2
181.04985	4.7
181.06461	4.9
189.05438	2.9
203.07018	2.6
205.04968	3.9
207.06522	100.0
207.13893	11.2
208.06822	3.7
211.03944	2.2
225.07507	3.4
225.14813	11.0
226.43443	2.0
236.09148	7.0
253.08646	4.7
309.13049	2.9
330.10452	14.1
340.96191	2.1
351.10861	2.5
351.18539	2.4
369.19193	4.5
387.16309	48.0
387.20242	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1286
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
53.03941	1.6
55.05493	1.4
65.03938	1.5
67.05500	2.3
68.39240	1.3
69.03415	5.1
69.07053	1.7
70.06592	65.4
71.04977	2.0
71.06918	15.8
71.50742	1.7
71.51086	1.7
79.05508	3.0
81.03411	6.7
81.07036	4.9
85.02900	13.1
85.06536	2.1
89.03905	2.4
91.05473	28.0
92.05798	2.1
93.07051	3.1
93.29752	1.4
95.04962	2.4
95.08605	3.1
97.02897	4.3
97.06541	1.5
99.04419	2.3
103.05466	1.4
103.81397	1.3
105.07050	3.8
106.06572	1.3
107.04964	3.2
107.08596	2.6
109.02852	4.1
109.06524	1.7
109.10180	2.8
119.04124	2.5
119.04936	37.9
119.08566	3.9
120.05292	1.8
121.02823	2.3
121.06470	3.4
121.10144	2.9
122.77462	1.4
123.04430	12.7
123.08088	3.2
123.11704	3.0
124.03908	1.6
124.04753	2.7
125.05957	2.9
125.09624	1.6
127.03902	2.6
131.08594	1.3
132.02046	2.3
133.10136	1.4
135.04420	2.9
135.08116	1.6
135.11742	2.0
137.05946	9.2
137.09596	3.8
139.03868	1.3
145.02843	1.5
147.04396	30.9
147.08003	1.7
147.11722	2.3
148.04733	2.7
149.05969	3.3
149.09656	1.8
151.03883	3.2
151.07550	3.9
153.05505	1.5
156.54785	1.6
157.03987	2.0
161.13297	2.6
163.11166	1.6
165.05472	3.8
165.06888	2.4
165.09128	3.9
166.05820	1.5
167.07056	7.3
175.03900	48.5
176.04260	1.8
177.05464	33.1
178.05807	19.7
179.07011	5.3
181.04820	2.1
181.12186	1.6
189.05540	1.7
189.09013	1.6
189.12697	3.4
192.04216	1.5
203.06920	1.9
205.04901	4.4
207.06509	100.0
207.13766	10.9
208.06822	4.3
225.07579	2.1
225.14890	5.6
231.19933	1.4
235.11575	1.4
236.09163	5.2
266.26556	1.6
278.36450	1.3
309.13068	2.1
330.10538	10.8
351.10596	3.8
387.16266	30.8
387.20596	3.2
401.18793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.05532	2.0
67.05508	2.9
69.03442	3.3
69.07060	3.7
70.26336	8.4
71.04984	1.8
79.05488	7.0
81.03409	2.3
81.07055	3.4
83.08641	2.2
85.02888	2.6
91.05482	19.5
93.07021	4.1
94.04222	2.3
95.04980	2.0
95.08624	3.6
97.06528	23.7
98.20782	2.5
103.05466	3.9
105.07012	2.6
107.04949	4.0
109.02802	2.7
109.06546	1.8
115.05488	3.2
119.04935	26.2
119.08532	2.3
121.16389	2.0
122.03676	5.7
123.04452	10.2
127.03899	2.2
133.10173	3.7
135.08138	2.1
137.05975	100.0
139.03889	38.9
143.04906	4.2
145.02794	2.2
145.06473	3.6
147.04395	19.0
149.02342	3.1
149.13409	2.2
151.03886	7.8
161.05994	3.4
163.03891	3.1
163.07571	2.8
167.07036	15.9
173.05986	4.3
175.03929	34.0
175.07523	4.8
176.04337	2.3
181.05008	14.5
191.07106	3.6
203.06989	2.2
207.06512	77.3
207.08438	4.2
219.10144	26.0
345.66568	2.1
351.10693	2.5
357.13303	14.8
375.37985	2.6
387.10141	3.2
387.14465	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	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05503	3.1
55.36028	2.1
57.23825	1.9
61.53545	1.9
63.12093	1.9
69.03444	10.5
69.80022	11.8
70.06594	88.6
71.04986	3.6
71.06917	21.3
74.98120	2.2
79.05457	2.3
81.03409	7.4
81.07065	4.4
83.04964	2.9
85.02900	18.7
91.05479	28.7
93.07037	7.2
95.04951	4.4
95.08643	3.5
97.02912	4.8
99.04472	3.4
104.40526	2.2
105.07036	5.2
107.08563	5.0
109.02863	2.3
109.06506	3.1
109.10162	3.9
117.67258	2.1
119.04946	38.6
119.08598	3.7
121.06492	5.3
121.10132	3.4
123.04443	16.5
123.08076	4.7
123.11684	3.7
124.04780	7.0
127.03896	4.7
135.04431	3.4
135.08070	3.4
137.05948	6.4
137.09621	5.1
145.04947	3.7
145.10197	2.3
147.04398	35.0
148.04745	3.2
149.05989	5.9
149.09584	2.3
151.03915	2.9
155.07010	3.4
161.06053	2.8
162.34680	2.4
165.05487	5.4
165.09019	3.3
167.07069	7.9
175.03908	49.3
175.06192	2.6
176.04425	2.7
177.05473	43.1
177.12711	4.2
178.05823	24.9
179.07140	3.2
181.04985	4.7
181.06461	4.9
189.05438	2.9
203.07018	2.6
205.04968	3.9
207.06522	100.0
207.13893	11.2
208.06822	3.7
211.03944	2.2
225.07507	3.4
225.14813	11.0
226.43443	2.0
236.09148	7.0
253.08646	4.7
309.13049	2.9
330.10452	14.1
340.96191	2.1
351.10861	2.5
351.18539	2.4
369.19193	4.5
387.16309	48.0
387.20242	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	386.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56468	1.4
53.03947	1.4
55.01863	1.3
55.05505	8.8
57.03416	1.6
57.07077	11.6
59.04997	1.7
61.02916	2.6
67.05502	2.1
67.23109	1.3
69.03412	3.9
69.60263	6.2
70.06596	1.9
73.06567	1.8
81.03426	1.7
81.07045	1.8
83.08614	3.0
84.04505	2.9
85.02913	16.9
88.90533	1.3
89.06028	68.8
91.05499	2.0
95.04973	2.4
95.08633	1.4
97.02893	4.7
98.20823	1.5
98.21363	3.1
101.09644	13.1
105.07035	1.3
107.04996	1.5
107.07071	2.9
109.02834	3.2
111.04392	1.4
119.04957	1.3
119.08597	1.5
119.10677	1.8
122.03604	1.7
123.08102	1.3
127.03912	3.7
133.08601	24.1
137.05975	13.9
142.08643	1.3
145.04895	2.4
145.06483	2.5
145.12204	13.5
147.04401	1.6
149.09549	2.1
151.03969	2.3
151.07631	1.4
151.09648	30.6
151.10811	2.5
153.05460	3.4
161.09618	1.8
165.09088	7.1
166.80490	1.3
167.07016	7.0
168.26210	1.3
168.27692	1.3
173.06038	1.4
175.07645	1.5
181.04993	3.6
202.10820	7.3
202.12500	1.5
203.06995	1.9
205.08604	1.9
207.06448	2.1
207.15907	100.0
208.16212	3.6
249.14847	1.9
301.07101	4.1
316.09476	5.2
329.10165	1.4
337.10718	1.5
357.13303	1.7
387.14297	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.4
57.03438	16.2
59.04985	2.8
61.02923	10.4
69.03429	27.8
70.63833	5.5
71.01351	1.9
71.04987	2.1
73.02914	37.1
81.03402	7.9
83.65103	1.5
85.02898	100.0
85.52624	1.5
87.04439	3.9
87.69878	1.7
91.03926	4.8
95.60249	1.5
97.02399	1.7
97.02888	36.5
99.04444	6.0
103.03957	3.5
109.02851	7.0
115.03920	16.2
123.04363	2.3
127.03911	28.9
133.04965	21.0
145.04948	53.7
150.07581	2.8
152.44865	1.6
163.06020	33.3
167.07063	4.3
177.05615	2.0
181.04839	2.4
204.08627	1.9
215.94131	1.8
224.09232	2.0
237.13284	5.5
241.07059	3.2
256.37012	1.5
259.08112	4.0
386.14911	2.7
387.16394	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41428	1.1
53.03940	1.6
53.87162	1.0
54.14835	1.1
55.01868	5.3
57.03439	11.8
61.02925	8.7
69.03427	19.6
71.01345	1.8
71.25992	3.0
72.04493	1.2
73.02919	13.3
79.47985	1.4
81.03410	5.7
85.02905	100.0
86.22658	1.3
87.04467	2.7
91.03981	6.7
97.02891	27.8
99.04451	6.7
103.03918	2.0
109.02902	7.6
113.82693	1.3
115.03922	10.2
127.03919	24.0
133.04971	13.0
134.46750	1.2
145.04962	53.3
150.07571	1.6
163.06023	29.3
163.07402	1.7
167.07033	8.7
224.09145	2.4
237.13258	4.0
241.07111	1.7
259.08115	1.5
383.63477	1.3
387.16486	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	386.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94070	6.9
53.16843	6.2
55.01868	7.5
57.03440	15.0
57.72931	7.2
61.02913	12.2
65.87264	6.9
66.79323	6.1
67.05501	9.6
69.03419	20.9
69.07016	6.6
70.06593	6.2
71.50417	9.0
71.50814	7.5
71.93958	6.3
73.02906	8.4
81.03421	20.3
83.04968	10.3
85.02917	62.6
91.05514	13.3
95.04946	15.2
95.06040	6.7
97.02900	31.6
99.04500	8.4
105.07011	9.5
106.02921	8.4
107.04999	8.6
109.02864	9.7
117.07007	16.4
117.83609	6.9
121.10157	9.5
123.04416	18.1
124.03925	9.1
127.03928	19.3
135.64282	6.9
137.05974	8.4
137.94472	7.2
145.04951	18.8
145.06522	37.2
153.03401	6.8
153.05461	8.4
161.03015	9.0
161.05943	12.2
163.06052	7.4
167.03442	7.7
167.07037	100.0
181.04976	9.1
224.09270	18.4
368.17020	9.0
387.11890	10.7
387.16580	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	386.1596
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.00670	0.3
54.03456	0.7
58.06590	0.7
60.19118	0.4
60.79655	0.4
63.44781	0.4
68.99789	0.7
70.06590	100.0
70.82863	1.1
71.06918	0.6
74.26482	0.4
76.20664	0.4
79.05521	0.5
81.07028	0.5
85.80800	0.4
91.05488	1.0
93.07042	0.6
103.05469	0.4
107.04944	0.9
109.59746	0.4
119.04942	1.8
121.06511	1.8
123.04420	10.4
131.04918	0.4
135.04430	1.6
147.04405	6.2
149.05977	5.4
152.13043	0.5
159.04433	0.9
161.06012	0.8
165.05470	3.1
177.05464	59.4
178.05818	1.1
189.05365	0.8
207.06577	1.2
234.11227	4.0
311.09262	0.9
329.10196	11.9
386.15973	44.4
387.16196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11885	0.6
56.96561	4.3
70.17134	2.7
71.95247	0.7
98.97577	28.8
99.97918	0.8
116.98612	28.8
117.98923	1.6
119.01913	6.7
134.99654	22.3
137.02945	1.9
139.25069	0.6
140.00099	1.0
153.00713	4.9
158.01189	0.9
158.99857	1.0
177.00946	17.4
178.00995	1.5
179.00714	1.4
195.01933	0.7
201.00899	1.4
211.68069	0.8
217.04030	2.6
219.01991	29.7
220.02051	3.3
221.01784	2.3
225.00865	3.0
234.99927	1.8
236.00142	1.1
236.99744	3.4
238.99190	0.6
240.90161	0.6
240.98782	1.5
242.03535	0.8
242.98570	1.5
243.01959	6.7
252.33417	0.6
255.00739	0.7
258.99777	14.7
260.00043	4.4
260.99698	16.8
261.03030	100.0
262.00003	2.1
262.03168	6.3
262.99576	0.6
263.02887	1.3
266.03589	0.7
266.98642	1.0
275.37134	0.8
276.98422	0.8
277.00851	26.6
278.01038	8.6
279.00656	33.4
280.00842	2.4
282.01370	1.0
283.00000	6.1
283.99927	3.1
284.04510	5.3
284.99780	17.4
285.99881	4.7
300.02289	1.7
300.97763	0.6
301.01004	11.1
302.01154	8.5
303.00861	33.6
304.00900	7.5
305.00702	1.3
321.01880	1.7
322.02191	0.7
326.02191	1.7
343.02072	5.5
359.01257	0.7
361.01425	8.3
367.02139	2.1
379.02744	3.5
385.03369	12.4
396.42188	0.6
403.00214	6.0
403.04095	15.9
404.00162	0.9
404.04761	0.8
408.04596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01885	1.6
55.05506	14.2
55.12821	1.1
57.03433	2.0
57.07065	5.0
60.91967	1.4
63.27335	1.1
64.70248	1.5
65.03925	1.7
67.05503	21.3
69.03413	2.1
69.07059	23.9
71.04987	13.6
71.52229	2.0
76.09753	1.2
79.05489	16.6
81.03416	1.6
81.07050	51.4
81.07538	2.7
83.04976	1.6
83.08629	10.8
85.06539	86.1
91.05462	14.2
93.07037	40.1
93.07634	1.7
95.04950	3.0
95.08600	100.0
96.08931	1.5
97.06519	7.0
97.10169	5.7
99.08083	2.5
100.17135	1.2
105.07026	23.2
107.08585	52.9
107.09319	2.6
108.89913	1.2
109.06537	2.4
109.10146	42.5
111.08079	2.7
111.11699	2.7
112.25565	1.4
115.93323	1.2
117.07027	3.8
119.08574	21.6
121.10136	50.7
123.08119	2.0
123.11708	14.0
125.05933	1.3
125.09630	5.4
129.06982	2.2
131.08559	4.9
133.10120	18.0
135.11685	30.0
137.13258	12.3
138.03140	2.0
143.08542	2.7
145.10129	8.2
147.11674	17.0
149.13240	18.7
151.14781	3.8
157.10101	2.5
159.11618	8.3
161.13240	13.3
162.13623	1.3
163.14816	12.6
166.02634	1.6
167.03432	1.8
167.14334	2.3
171.11758	2.0
173.13228	5.8
175.14812	10.0
177.16367	13.3
179.03328	2.1
179.14343	1.8
181.04942	68.7
181.15900	2.6
182.05319	3.7
184.03638	1.8
185.13240	1.8
187.14827	5.6
189.16386	9.7
191.17941	56.3
193.15869	11.1
195.17357	6.1
201.16425	5.2
202.07765	2.1
203.08527	2.4
203.17949	16.0
205.19530	5.4
205.82211	1.4
213.16356	1.3
215.17926	2.1
217.19562	16.1
229.19547	2.0
231.08076	3.3
231.21109	3.8
243.21088	3.5
257.22638	7.3
278.56396	1.4
282.55124	1.3
299.27438	2.2
315.26779	1.5
367.26395	1.5
385.14059	2.1
385.23822	2.3
385.34692	41.4
386.35068	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	384.1148
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01868	2.0
56.96578	0.5
57.03439	2.5
58.40142	0.3
61.02910	0.7
65.97413	0.3
69.03412	2.1
70.02946	0.5
70.06570	1.0
70.48396	0.6
70.48746	1.2
71.01353	0.7
73.02900	1.8
77.15273	0.4
81.03415	0.7
85.02905	2.7
94.04037	0.7
97.02878	1.5
98.20839	0.4
99.00798	0.5
105.06998	0.9
115.03915	0.8
115.07615	0.4
119.03573	0.4
121.05093	1.8
123.04398	0.8
127.03944	0.9
133.04945	0.5
133.06473	1.2
135.06677	1.6
136.06180	18.1
137.04547	0.5
138.05449	0.6
148.06192	6.3
151.03899	1.0
155.05743	0.6
161.05925	2.3
162.07742	38.9
163.08014	0.6
167.07013	0.5
175.03880	0.6
188.05664	14.0
192.05156	19.0
193.05307	0.4
193.08551	0.7
204.08656	0.8
206.06720	7.8
216.05151	0.7
234.06207	11.7
239.77864	0.4
252.07272	100.0
253.07587	2.9
321.04254	0.4
347.88763	0.5
367.04608	0.7
384.11481	25.5
385.01913	0.5
385.11685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3305
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
53.03933	2.9
55.05511	23.1
57.03416	2.8
57.07061	6.5
62.15868	2.5
64.31699	2.4
67.05500	56.2
69.03423	3.6
69.07064	29.2
71.05000	4.3
79.05479	21.7
81.06597	4.6
81.07052	72.8
83.04959	4.9
83.08611	16.5
85.06534	23.2
91.05476	30.2
93.07043	67.3
95.04961	6.1
95.08601	100.0
96.08913	2.7
97.06532	3.5
97.10165	7.5
105.07019	66.2
107.08587	80.6
108.08936	2.5
109.06512	6.7
109.10145	82.0
111.08048	7.0
111.11700	2.5
116.29157	2.4
117.07022	7.1
119.08573	94.3
121.10133	74.5
122.10487	2.7
123.08055	6.1
123.11705	22.8
129.07013	5.9
131.08582	15.6
133.06474	2.7
133.10120	44.3
135.08031	4.0
135.11667	35.2
137.13243	9.6
143.08519	5.2
145.10109	32.4
147.08060	5.7
147.11697	34.5
149.09625	4.5
149.13264	42.5
150.85808	2.6
151.07513	5.2
151.46344	3.0
155.10701	2.5
156.09291	3.5
157.10132	11.2
159.11694	36.3
161.09605	5.0
161.13239	54.7
162.32341	2.9
163.11171	4.5
163.14810	24.9
165.09148	4.6
165.12776	4.3
171.11697	7.5
173.09663	3.2
173.11682	8.6
173.13274	18.3
175.11194	5.3
175.14798	44.7
177.08932	2.4
177.12709	2.8
177.16435	7.1
179.14377	4.0
185.13237	5.1
187.14793	14.1
189.12746	4.0
189.16389	22.7
191.17924	58.1
193.04973	3.5
193.15793	4.4
195.11787	4.4
197.13361	3.0
199.14877	4.2
201.16418	10.2
203.14189	5.9
203.17880	23.6
205.19563	5.9
207.13863	3.8
211.14885	2.7
213.16347	7.4
215.18001	10.4
217.19476	14.2
221.15344	9.2
227.17920	7.5
229.50317	3.3
233.18990	2.9
241.19675	5.1
243.21165	3.7
255.21104	8.5
257.22714	7.6
292.14127	2.6
309.25760	2.6
365.32004	23.0
383.25839	17.0
383.33127	93.2
384.33737	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.6
55.78383	0.7
57.07060	1.8
64.18038	0.8
64.64561	0.9
67.05498	16.1
69.07061	7.2
69.17932	7.1
69.18340	2.1
79.05496	8.3
81.03405	1.7
81.07054	31.3
82.48245	0.8
83.08630	2.0
85.02824	0.8
85.06519	1.1
85.10185	1.1
91.05476	9.8
93.07037	18.0
93.59314	0.9
95.04983	1.5
95.08603	27.8
97.06512	1.6
97.10149	1.7
98.21616	1.5
102.37693	0.9
103.05442	1.0
105.07026	100.0
106.07350	1.9
107.08583	23.5
109.06476	0.9
109.10144	17.2
109.10852	1.5
111.08081	1.3
117.07036	2.5
119.08575	55.0
120.08913	1.8
121.10130	13.6
123.11711	5.0
124.49684	0.8
129.07065	0.9
131.08536	5.4
133.10112	18.0
135.11687	17.1
137.13206	2.2
142.40369	0.8
143.08565	1.4
145.10097	6.5
147.11696	13.6
149.13254	10.2
157.10124	1.7
159.11693	8.5
161.13249	85.2
162.13599	3.2
163.11093	0.9
163.14799	10.8
171.11703	1.1
173.11702	2.1
173.13290	3.6
175.14815	22.3
176.15225	1.1
177.16362	4.1
179.14313	2.6
185.13242	1.6
187.14861	3.7
189.16354	4.9
191.14272	1.0
191.17943	15.4
199.14688	1.0
201.16391	4.0
203.17917	6.6
207.17299	1.9
213.16399	1.1
213.50639	0.9
215.17995	2.2
217.19545	1.9
221.19012	0.9
229.19482	1.3
360.81900	1.0
365.32126	6.5
383.24890	1.7
383.29703	1.3
383.33154	27.5
384.33588	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.33177	2.7
53.03945	4.7
55.01862	3.5
55.05512	19.5
57.03809	3.4
57.07058	10.6
59.04986	8.3
63.98560	2.8
67.05503	67.0
69.03420	11.0
69.07076	18.6
69.48328	19.5
71.04972	7.8
79.05479	33.1
81.07058	50.4
83.04962	10.8
83.08635	6.4
85.06528	10.3
87.04436	3.5
90.21278	2.6
91.05472	51.6
93.07037	100.0
93.07635	4.8
95.04966	24.6
95.08604	66.5
97.06512	13.0
98.20784	6.1
103.05464	3.0
105.07026	86.3
107.04959	6.0
107.08590	55.1
109.06520	21.9
109.10149	52.3
110.65987	2.9
111.08059	11.3
113.09656	3.1
115.05456	4.8
117.06992	13.5
118.10711	3.5
119.08574	71.0
121.06472	16.3
121.09339	4.9
121.10136	56.0
122.10518	3.3
123.08057	26.2
123.11678	11.7
128.06197	7.4
128.15591	3.1
129.07040	13.5
130.07748	3.9
131.08556	34.4
133.06494	6.4
133.10114	41.9
135.08061	22.4
135.11678	10.2
136.16728	2.7
137.09601	12.0
137.13278	5.7
141.06938	3.8
142.07729	17.9
143.08556	22.6
144.09285	3.5
145.10109	53.0
147.08041	16.9
147.11670	27.6
149.09613	23.6
149.13187	7.6
151.07526	36.5
153.09076	3.6
155.08545	11.2
155.10616	3.3
156.09302	7.3
157.10121	42.3
158.10757	4.3
159.08043	8.0
159.11685	27.5
160.08810	4.0
161.09637	20.7
161.13269	18.7
163.11177	9.6
163.14792	7.0
165.09076	29.6
167.03378	20.7
167.07033	5.4
169.10065	5.5
170.10887	7.1
171.11674	10.7
173.09599	11.4
173.11699	8.5
173.13222	8.9
175.11200	22.9
175.14813	18.0
177.09129	9.4
177.16328	3.3
177.72835	2.7
181.04926	4.8
181.10118	3.8
183.11667	7.9
185.13232	23.7
187.11137	6.8
187.14851	6.8
189.12729	11.1
189.16338	4.8
191.14296	4.9
191.17863	7.6
193.05040	4.2
197.13232	7.3
199.14758	3.9
201.12744	4.6
201.16370	7.9
203.10724	3.9
203.14267	29.1
203.17973	3.1
207.13733	13.4
209.13222	4.4
209.15298	4.2
211.14804	3.6
213.12766	6.0
213.16295	4.1
215.14207	6.1
215.17996	3.0
217.19612	3.0
219.10162	11.4
219.13805	4.8
221.15344	57.7
223.14888	3.0
225.12817	3.1
227.14333	4.2
229.19661	3.1
231.13724	3.4
233.15370	5.0
234.16116	12.4
281.18756	3.1
286.19232	9.1
287.19983	8.8
299.20139	8.1
303.19553	8.7
365.24652	10.8
365.32162	4.3
374.52295	2.8
383.25848	66.7
383.33221	11.2
384.25858	5.2
385.04477	2.8
391.18253	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	383.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01867	6.1
55.05522	1.7
63.76300	1.0
67.05473	1.0
69.03397	1.7
69.45242	1.2
70.06606	1.6
71.04984	2.3
71.51464	1.5
72.92403	1.0
79.05486	18.2
81.03406	1.1
81.07055	4.4
83.04982	1.0
85.02891	2.6
85.06511	1.5
91.05476	9.1
93.07023	7.2
95.04961	5.6
97.02877	1.4
103.05478	3.7
105.04541	1.4
105.07032	1.6
107.04211	2.2
107.04946	42.2
107.08582	2.2
109.06522	2.0
111.04454	1.1
115.05431	1.6
119.04913	1.9
119.08606	1.4
121.02851	1.4
121.06492	9.3
122.03605	1.7
123.04425	3.0
124.05200	7.0
125.06000	4.4
127.03889	1.0
129.06998	9.7
130.06519	1.3
131.04930	1.2
133.10162	1.2
137.05969	3.4
138.06795	2.4
139.07550	1.3
143.07097	1.2
144.08044	2.1
147.04379	1.6
149.06006	2.8
151.03917	2.2
152.04703	2.2
153.05453	2.6
154.06590	1.5
155.07173	2.8
156.08069	15.5
157.04063	1.4
157.06483	1.2
160.07542	3.2
163.03984	1.3
166.06227	5.2
166.08604	1.3
167.07033	99.6
168.08240	1.9
170.06001	23.9
172.07558	4.5
174.07877	2.9
175.03963	1.3
177.05440	1.9
179.07089	1.6
181.04999	3.7
181.08578	43.0
183.06792	1.4
184.07558	30.4
185.07986	1.4
186.05484	8.3
187.08672	5.7
198.05489	6.5
199.06247	2.4
200.07024	5.2
202.08691	4.8
207.06383	1.5
209.04434	2.2
212.07060	56.9
213.07436	1.3
221.08017	2.2
221.11670	1.1
229.09706	25.8
236.97241	1.2
247.05861	1.7
248.06952	1.8
264.10312	1.6
280.09689	2.3
290.08118	1.4
324.12360	3.8
334.10681	1.6
336.08740	2.6
351.11090	1.3
354.13324	1.8
366.13342	100.0
367.13748	4.1
383.15927	4.9
383.20496	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	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81681	1.5
53.44601	1.5
55.01863	3.6
56.96301	2.4
56.96562	25.4
57.03428	5.2
59.04956	1.7
61.02920	7.7
61.66256	1.5
66.07899	1.6
67.56850	1.7
69.03425	20.1
70.06584	4.2
71.04972	2.1
71.50763	1.8
71.51174	2.1
73.02898	5.0
74.02440	2.0
81.03410	13.3
82.02938	4.0
83.04988	2.7
84.96029	5.5
85.02903	47.4
85.29247	1.8
87.04447	2.0
91.05466	2.2
94.06595	2.5
97.02879	15.2
98.97583	22.2
99.04459	4.1
103.03922	3.1
107.08581	2.0
109.02882	6.4
110.97580	5.4
115.03924	2.0
116.98596	14.6
118.06535	7.4
119.01912	4.9
119.04934	1.9
127.03908	10.1
128.98578	8.0
130.06520	66.3
131.00168	2.4
131.01881	2.3
132.04442	21.2
132.08073	5.8
133.01689	2.8
133.02669	2.1
134.06000	2.9
134.99649	6.2
135.04456	1.9
136.06305	1.9
137.05968	5.8
138.05482	2.6
142.06552	2.2
143.00198	2.6
143.07283	2.8
144.06949	2.5
144.08066	28.4
145.04950	5.4
145.06561	3.1
145.07581	21.1
146.06021	16.2
146.99641	6.1
147.04362	3.4
148.07532	5.4
153.01826	12.0
154.06516	7.6
156.08069	3.7
157.07607	60.0
158.06003	52.7
158.08202	2.2
158.99684	5.1
159.09113	9.6
160.07565	6.0
161.01164	4.6
161.02934	3.1
162.05504	3.7
163.03964	4.6
164.06966	2.5
169.07603	7.9
170.06017	2.5
170.08372	2.8
170.99644	5.1
171.09181	8.9
172.07553	12.6
173.02884	2.3
174.05458	9.7
175.08655	54.6
176.07042	4.3
177.00711	6.5
181.03423	2.7
181.04955	2.1
181.07686	2.6
182.08321	4.5
183.09196	20.0
184.07568	3.6
185.02838	2.1
185.07071	15.3
186.05487	4.8
186.07854	2.4
187.08710	4.1
188.07050	3.3
189.00652	3.6
196.07582	2.2
198.05565	2.5
199.08627	11.9
200.07091	19.7
201.00714	1.9
203.08147	100.0
204.06558	9.4
204.08330	3.7
207.09227	2.8
209.07060	9.1
213.04364	4.2
213.06361	1.8
215.08133	4.0
216.06750	2.4
216.08810	3.2
217.09703	31.4
218.10112	2.1
219.01770	7.4
221.05219	3.7
221.07251	2.1
221.09204	53.6
221.11429	3.2
222.09698	3.0
227.08237	11.9
228.06766	3.3
231.05414	1.8
231.07614	7.2
237.02754	15.7
242.07355	3.1
245.09184	27.3
247.06311	2.2
252.07117	2.4
257.09167	4.3
263.10257	45.8
265.07098	1.7
275.10156	2.6
299.10242	9.4
311.10251	2.7
321.08545	2.7
329.11240	4.3
347.12402	10.7
348.10617	8.8
365.13403	26.8
383.06424	42.2
383.14233	25.2
384.07712	4.0
401.07132	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01860	2.1
57.03422	3.7
61.02915	4.2
62.24666	1.1
69.03432	12.0
70.02982	1.2
70.80994	1.7
73.02891	1.4
74.02435	1.5
81.03431	8.0
82.02914	1.4
85.02906	34.0
94.06572	2.7
95.52335	1.0
97.02892	10.4
98.97556	1.2
99.04451	3.2
103.03934	2.6
106.06557	1.8
107.03885	1.0
109.02876	3.5
115.05428	2.3
117.05749	1.9
118.06570	6.3
118.07246	1.3
127.03910	5.4
130.06519	71.0
132.04448	20.6
132.08046	6.3
134.05998	2.3
138.05489	1.1
142.06450	1.5
143.07327	2.3
144.06880	3.2
144.08069	27.5
145.05064	2.6
145.07597	26.0
146.06009	11.4
148.07549	4.4
154.06491	6.5
156.06853	1.4
156.08038	5.9
157.07608	71.2
158.06004	52.7
158.08051	2.2
159.09183	9.5
160.07579	2.4
167.07329	1.3
168.08044	1.8
169.07611	8.2
170.06012	2.3
170.08337	1.9
171.06836	1.6
171.09207	9.4
172.07556	14.2
173.07191	1.2
174.05489	9.0
175.08667	64.5
176.07047	3.3
181.07649	5.3
182.06041	2.0
182.08351	4.3
183.09175	20.5
184.06187	2.1
184.07603	4.3
185.07097	12.5
186.05521	4.3
186.07826	3.8
187.08629	3.2
188.07056	3.6
195.09103	1.5
197.07123	1.4
198.05484	1.2
199.08592	10.4
200.07066	19.9
201.10257	1.1
203.08141	100.0
204.06516	3.8
204.08337	2.2
207.09151	3.1
209.07025	7.3
210.09102	1.5
215.08159	3.3
216.08902	4.4
217.09712	33.7
221.09190	45.7
222.09366	1.2
226.08664	1.2
227.08131	12.6
228.06569	3.4
231.07654	6.3
235.08759	1.2
243.07596	1.5
245.09218	25.9
246.07484	1.3
251.07959	1.4
257.09259	2.3
263.10269	40.6
264.10443	1.3
266.07922	1.6
269.09100	2.3
275.10284	2.4
281.08957	1.4
283.10724	1.5
284.09232	1.7
299.10260	7.0
302.10052	1.4
311.10284	1.5
318.40948	1.2
329.11459	3.2
347.12448	8.6
348.10718	8.6
365.13437	26.7
366.13818	2.3
383.14432	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	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.32983	3.0
55.05478	3.3
57.07064	2.6
57.73826	2.6
59.04990	3.1
63.11464	2.3
67.05502	5.9
69.03427	4.5
69.07061	3.5
70.02956	4.4
71.50466	3.1
71.50820	2.9
72.04506	8.7
73.02906	4.4
75.42854	2.2
79.05484	2.3
81.03413	4.1
83.04977	4.0
85.02898	10.3
85.06543	6.0
90.05554	61.3
95.04979	4.4
97.02924	4.0
97.06479	2.2
98.02409	6.1
104.41850	2.7
106.02928	2.7
116.03458	8.1
121.36427	2.2
124.04014	4.4
124.07587	10.0
137.05983	3.0
142.08633	6.5
147.04402	3.9
163.03903	8.3
174.00876	2.5
174.05510	3.6
174.11247	4.4
184.09688	15.8
202.10728	21.5
207.06671	3.9
220.09656	5.1
220.11800	100.0
349.85693	3.0
383.09576	4.2
387.07739	2.9
405.87091	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38247	4.2
51.60466	5.3
59.00961	4.7
59.04993	9.9
67.05499	7.9
69.75822	30.7
71.04985	10.6
81.07043	31.2
85.02922	6.9
93.07025	8.0
95.04950	7.9
95.08588	15.5
97.06526	6.1
105.07019	6.7
107.08591	6.0
119.04923	6.0
121.10137	86.5
123.11687	33.2
125.05958	11.3
139.11177	34.5
147.04373	7.5
149.09584	12.7
167.10686	100.0
185.11728	37.0
191.00017	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.5
57.03428	17.6
59.44183	9.0
61.25089	9.1
62.54331	8.8
66.91080	9.0
67.05495	19.6
70.63490	21.3
70.63842	12.5
76.08956	10.2
79.05483	23.3
81.03405	13.8
81.07055	26.3
83.04994	12.2
85.02895	43.2
85.38983	9.8
91.05470	10.9
93.07036	16.1
95.04970	15.9
95.08624	14.2
97.02848	9.9
99.58453	10.5
107.08567	24.6
121.10135	54.6
124.03922	14.2
125.05908	14.5
127.03885	10.4
139.11168	20.9
145.05026	11.9
146.05988	32.4
153.09102	11.7
163.03911	11.1
167.10692	70.3
172.07571	16.6
181.04979	12.2
185.11723	36.7
193.04836	10.3
202.12354	13.4
203.03500	15.8
203.12746	25.5
226.05704	9.4
229.13461	14.1
246.09982	11.8
247.14101	11.5
273.12256	13.1
275.13873	100.0
299.13846	14.6
305.14938	22.6
365.16864	19.9
382.11331	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	382.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02147	2.9
53.03932	4.4
55.01869	16.5
56.96563	7.3
57.03422	6.8
57.07062	7.0
59.04989	4.0
59.11289	2.9
60.04527	3.2
61.02933	4.9
62.11241	3.8
65.03959	3.5
67.05498	9.5
69.03427	32.3
69.07056	10.1
70.02945	5.3
70.06580	3.8
71.04981	4.7
71.51031	3.1
71.51409	3.5
71.58981	3.2
72.04510	28.0
72.44710	3.7
73.02906	14.1
77.03977	3.5
81.03403	26.3
83.04990	3.7
85.02901	58.5
85.06525	9.4
86.09701	9.7
87.04456	4.4
87.08080	3.7
90.05546	61.0
90.94765	3.9
95.04958	9.4
97.02888	29.9
97.39101	3.1
98.02435	17.2
98.97586	5.1
99.04440	8.7
100.04019	4.4
103.03916	5.5
109.02883	30.7
111.04427	5.1
113.05986	4.7
115.03934	5.4
115.05466	4.4
116.03437	25.7
116.98573	4.6
117.05698	4.1
118.06540	6.9
119.04955	3.9
120.08100	4.3
124.07584	24.7
127.03901	38.5
130.06519	28.0
132.04459	10.4
132.06577	8.7
132.08072	6.6
132.11087	3.3
133.06471	12.0
134.06004	8.6
136.07532	11.2
142.08609	17.6
144.08072	7.0
145.04961	10.6
146.06009	83.9
147.04439	4.2
147.06415	9.0
148.07590	11.0
157.07608	11.9
158.06010	34.4
160.07571	21.4
160.09618	5.9
161.06012	4.4
162.05498	32.9
163.03857	5.1
167.07167	4.5
170.05980	5.4
172.07594	11.7
172.09619	4.8
173.07118	6.5
174.05522	10.8
174.07405	8.3
174.11250	7.9
175.08691	42.7
181.04890	5.6
184.08272	4.4
184.09674	25.9
185.07114	11.0
186.05489	9.5
188.07106	19.7
199.06003	11.8
200.07077	9.9
202.08875	5.1
202.10722	100.0
203.08105	6.6
204.06523	55.3
211.09715	8.9
212.07167	5.1
216.08653	5.4
217.07085	15.7
217.09634	11.0
218.07809	4.4
219.07640	9.9
220.06068	8.1
220.07993	12.2
220.09836	4.4
220.11763	43.7
221.09183	65.0
230.10222	7.6
231.07654	5.1
234.09651	10.3
237.02708	6.9
246.07538	21.1
262.12802	15.2
263.10263	18.0
299.10095	5.6
305.26773	3.4
308.11258	10.8
309.08588	4.5
310.12750	6.6
328.13788	34.2
337.13876	4.7
346.14902	12.2
347.12167	7.4
351.18399	3.7
364.16113	25.0
365.13559	4.4
366.11740	5.8
382.11804	25.7
383.14792	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1646
Annotation	Yuanamide
Peak:m/z	Relative Intensity
55.05510	2.5
57.03424	1.4
57.07072	2.0
60.71980	1.2
65.03925	1.3
67.05507	7.8
69.07065	14.7
71.51783	2.5
79.05485	3.2
80.04990	1.6
81.07040	5.2
83.08630	1.3
91.05476	5.0
93.05775	2.2
93.07025	4.1
94.06567	9.1
95.04964	2.1
95.08575	5.6
97.06531	1.4
103.05485	1.4
105.07025	2.4
106.06541	4.1
107.08577	3.7
109.10163	4.4
110.10456	1.3
117.05810	1.4
117.07014	1.9
119.04973	2.9
119.08555	3.8
120.08135	2.1
121.02860	4.7
121.10112	2.8
132.08070	1.7
133.10049	1.7
134.09595	1.7
135.11746	1.8
136.12114	1.4
145.06461	2.4
145.10065	2.1
146.09653	1.3
147.04434	11.9
147.11722	1.7
149.02327	3.9
159.11717	1.4
162.12781	8.1
167.08516	1.4
173.05916	2.3
175.03909	28.1
182.11760	1.3
187.14847	2.8
192.10068	1.3
195.08087	4.0
201.05513	3.7
208.13329	15.8
212.07089	1.5
213.05453	1.9
222.08986	1.6
223.07541	4.4
224.07173	1.5
234.09193	2.1
240.06621	3.4
241.08652	3.6
248.07124	3.9
249.07777	3.8
250.08633	9.1
251.07019	5.1
252.06558	22.5
252.09302	1.7
252.10162	1.1
262.08557	4.8
264.06561	2.1
264.10086	1.3
265.07327	3.5
266.08151	4.9
267.08966	8.6
268.09689	17.3
269.12344	4.2
278.08087	2.5
279.08987	2.3
280.09708	16.8
290.12009	1.4
292.09918	2.0
293.10718	1.6
294.11389	1.5
307.12048	2.3
308.12735	2.2
318.14896	3.4
321.19974	1.3
336.15948	61.8
337.16284	3.4
364.15521	4.9
382.16486	100.0
382.31808	3.9
383.16797	4.8
383.24472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1647
Annotation	Norcorytuberine
Peak:m/z	Relative Intensity
55.01828	0.9
60.04453	4.4
65.39342	0.9
67.42669	0.8
69.03371	0.8
70.06517	4.2
70.66689	2.1
79.05437	1.0
80.04987	0.8
81.03352	1.0
81.06966	1.0
91.05492	3.7
93.06960	1.1
95.04950	4.7
95.08544	1.4
98.06030	1.4
99.04434	0.9
105.03312	3.0
105.06940	1.3
107.04941	10.4
107.08548	0.9
108.05735	6.8
108.08933	0.8
109.06464	1.9
109.49372	0.7
112.07510	2.5
115.05371	1.4
117.06920	1.8
118.06445	2.5
119.04823	1.2
121.06517	3.7
121.07157	0.7
122.05971	1.1
123.04442	4.7
127.03854	0.9
128.06149	1.1
129.06973	3.7
130.06441	2.9
130.07394	0.7
132.07948	0.9
133.05173	0.9
133.06425	1.0
134.05930	1.5
135.03450	0.7
135.04391	9.5
135.11559	0.8
136.07494	1.3
137.05974	5.1
140.14450	0.7
143.04837	1.1
144.05592	3.2
145.05447	1.2
145.06464	13.4
146.05986	19.7
147.04314	1.2
147.07954	1.0
148.07455	2.6
149.08345	6.1
157.06390	1.0
158.07222	1.8
159.08054	15.6
159.11714	0.8
160.07484	7.3
160.08751	13.4
161.08351	49.2
161.09564	3.6
162.09105	4.0
163.03915	5.4
173.05896	1.8
173.09496	0.9
175.07452	1.2
176.06929	1.1
176.10689	9.1
177.05414	0.8
186.09044	1.0
187.07486	2.3
197.05981	0.8
200.10652	1.7
201.09024	1.3
201.11391	1.1
202.09798	1.1
203.09305	1.0
204.10132	2.7
205.08481	0.8
210.06638	3.0
213.09166	1.0
217.08546	2.1
218.11536	1.0
219.12515	6.1
221.07100	0.7
229.06544	1.1
229.08589	14.6
234.06760	1.0
235.07457	0.8
241.08575	44.9
242.08856	1.2
249.09027	0.7
253.08405	1.3
256.09659	1.6
263.06943	1.1
265.08533	3.3
270.11313	3.9
271.09625	13.0
275.06824	0.7
281.11694	6.6
282.11221	25.6
283.11487	0.8
292.07251	1.1
298.14383	0.9
305.08383	1.0
305.11740	2.5
311.12628	0.9
312.12286	1.7
322.14380	12.6
323.09082	3.6
323.12653	19.6
324.12509	1.3
340.15408	100.0
340.48520	0.8
341.15897	2.0
351.08603	2.6
382.16483	48.5
383.16400	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1644
Annotation	Norcorytuberine
Peak:m/z	Relative Intensity
55.01856	1.5
60.04523	2.7
69.03424	1.6
70.06581	5.3
71.05007	2.3
71.51023	1.4
79.05500	2.8
79.55435	1.0
81.03409	1.3
81.07064	1.9
84.04480	1.1
89.59275	1.1
91.05472	4.9
93.07027	2.5
95.04963	6.4
97.02855	1.5
98.06081	2.5
99.04444	1.5
105.03391	3.1
105.07024	2.6
107.04958	10.3
108.05712	7.0
112.07616	1.2
115.05402	1.6
117.07016	2.3
118.06541	3.0
121.06493	4.3
123.04409	5.8
128.06213	1.1
129.07014	5.1
130.04155	1.1
130.06511	2.6
131.04936	1.5
132.08037	1.9
132.34073	1.4
133.05214	1.5
133.06436	2.2
134.05975	1.6
135.04419	10.8
136.07588	1.4
137.05981	5.7
144.05704	2.6
145.06467	14.1
145.15285	1.1
145.58896	1.1
146.06007	20.5
148.07584	1.8
149.08337	8.9
159.08052	17.4
160.07567	8.4
160.08832	12.5
161.06174	2.0
161.08354	49.2
161.09579	2.7
162.09091	6.1
163.03897	7.0
175.07593	1.6
176.07091	2.4
176.10669	10.4
187.07527	2.4
200.10736	1.5
201.09126	2.4
202.09897	1.7
203.09425	1.2
204.10248	3.4
210.06744	2.3
217.08609	2.4
219.12521	5.8
229.08571	17.3
241.08589	42.8
242.09003	1.5
243.10374	1.3
249.40714	1.1
252.80659	1.2
253.08498	1.2
253.57918	1.2
256.09650	2.8
265.08600	4.5
270.11188	4.9
271.09616	11.6
281.11673	5.2
282.11221	27.4
305.11804	1.7
312.12512	1.7
319.04913	1.2
322.14355	12.6
323.12711	17.2
340.15414	100.0
341.14188	1.8
359.63101	1.2
377.01831	1.5
382.16461	39.5
383.17203	1.6
403.50360	1.7
403.56693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.8
57.07072	2.9
67.05503	14.2
69.07065	13.3
71.51240	1.2
71.51720	2.0
74.25535	1.3
79.05479	8.3
81.07050	40.9
83.08615	7.8
85.06538	2.5
91.04936	1.4
91.05489	9.1
93.07040	19.5
95.04958	1.3
95.08602	62.0
96.08925	2.4
97.10167	4.1
105.07025	17.1
107.08593	29.3
109.10147	37.6
110.10506	1.5
111.11723	2.3
117.07014	3.0
119.08579	21.8
119.09380	1.7
121.10139	26.9
123.11693	19.2
129.06984	1.7
131.08556	6.6
133.10117	18.5
135.11690	14.7
137.13252	14.9
143.08542	1.8
145.10153	6.6
147.11687	14.2
149.09685	2.0
149.13258	15.9
151.14851	3.0
157.10149	3.3
159.11668	12.3
161.13251	12.3
163.14809	9.2
171.11702	2.5
173.13292	11.7
175.14845	10.4
177.16388	13.7
185.13324	2.8
187.14822	7.3
189.16382	14.9
191.17978	12.8
201.16444	6.0
203.17957	7.9
205.19547	4.3
207.17453	1.9
215.17958	9.1
217.19537	4.9
219.21164	2.0
229.19498	10.9
231.21085	8.9
243.21066	9.7
245.22595	5.9
257.22580	8.7
259.24167	1.5
271.24323	2.6
283.24326	2.0
285.25864	3.3
299.27536	1.6
311.27435	3.7
325.28946	2.4
363.30597	3.5
381.31619	6.8
381.35242	100.0
382.35654	7.5
404.01370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17936	4.9
55.05507	14.7
55.94120	4.4
67.05501	32.0
68.45354	4.2
69.07057	28.7
71.51658	8.0
79.05480	17.4
81.07056	69.3
83.04977	4.0
83.08609	14.1
85.06530	16.0
91.05484	15.4
93.07034	49.1
95.08604	98.2
97.10130	4.8
105.07018	51.9
107.08587	56.9
109.10155	51.5
117.07073	5.8
119.08578	58.8
121.10143	51.8
123.11710	30.8
131.08560	36.0
133.10115	49.1
135.11707	33.7
137.13257	21.9
143.08557	17.8
145.10138	38.3
147.11682	40.3
149.13228	31.5
157.10178	17.0
158.10872	4.9
159.11685	60.3
161.13237	24.4
163.11244	5.6
163.14790	19.5
169.10037	5.3
171.11708	13.0
173.13246	46.4
174.26103	4.7
175.11314	4.3
175.14783	25.1
177.16368	15.1
179.14453	5.6
183.11670	9.8
185.13226	12.8
187.14780	21.8
189.16420	32.1
191.14333	5.6
191.17921	19.8
199.14851	9.5
201.16353	14.1
201.18083	4.3
203.17932	16.3
207.17435	12.1
211.14812	6.1
213.16441	16.9
215.17969	15.2
217.19496	9.7
225.16328	8.2
227.17917	15.3
229.19502	7.3
231.21069	7.4
241.19453	12.1
243.21112	9.5
255.21091	7.4
257.22711	8.4
267.21057	8.0
285.21884	6.2
325.88937	4.9
363.30334	25.7
381.31451	100.0
381.35297	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.315
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
50.72131	2.7
53.89741	2.3
55.05510	13.2
57.07079	5.9
67.05506	22.3
69.07069	20.7
71.04977	3.7
71.08611	2.6
79.05498	19.1
81.07053	53.7
83.04993	3.0
83.08624	10.8
85.06551	17.5
85.51422	2.3
91.05479	22.1
93.07040	35.1
95.04975	4.7
95.08604	67.4
97.10180	3.7
101.58662	2.2
105.07024	51.4
105.07692	3.4
107.08588	56.8
107.94081	3.1
108.08933	2.7
109.10149	39.8
111.08113	4.6
111.11755	3.6
111.46421	2.3
117.07027	14.2
119.08569	50.1
121.10145	49.4
123.08012	2.8
123.11707	12.6
129.07018	8.7
131.08562	32.1
131.71687	2.5
133.10126	44.4
135.08176	2.3
135.11687	27.4
137.13257	8.5
142.07741	4.4
143.08546	14.7
144.09322	3.9
145.10110	47.1
145.11180	3.9
147.11694	42.7
149.09653	3.2
149.13255	22.4
155.08545	3.2
156.09380	3.9
157.10141	20.0
158.10928	3.5
159.11688	57.6
159.12897	4.7
161.09598	2.6
161.13268	23.1
163.11127	3.3
163.14813	14.0
165.12816	4.8
168.09395	3.0
169.10101	7.3
171.11644	15.4
173.13248	46.9
175.11261	4.9
175.14807	19.4
177.12817	4.5
177.16425	7.0
177.65895	2.4
179.14307	4.9
183.11647	6.3
185.13194	13.3
187.14764	22.3
189.12822	2.6
189.16365	27.7
191.14357	5.3
191.17937	18.6
197.13240	6.6
199.14861	9.0
201.16376	17.9
203.18001	9.3
207.17419	16.7
209.13278	3.4
211.14844	9.0
213.16328	15.8
215.17924	9.9
217.19550	6.5
225.16362	7.5
227.17961	15.5
229.19406	4.4
231.21074	3.4
232.02548	2.8
237.16396	3.2
239.17973	6.5
241.19594	9.5
243.17450	5.4
253.19611	8.5
255.21176	6.7
267.21121	10.3
271.20541	4.6
279.21249	4.4
285.22202	9.0
297.22281	3.2
311.23621	2.8
321.25693	3.2
323.27271	3.1
363.30447	33.8
381.31583	100.0
382.31915	4.7
389.00589	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	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59291	4.1
53.03933	17.4
55.01856	12.6
55.05503	18.0
57.03415	16.3
57.07062	9.4
61.02910	9.1
67.05501	52.1
69.03429	62.9
69.07066	28.9
69.93217	19.6
71.04982	13.7
73.02904	8.3
79.05493	45.5
81.03416	48.6
81.06592	7.9
81.07050	98.1
83.04966	24.6
83.08616	10.8
85.02434	7.3
85.02905	72.5
85.06545	11.5
87.04462	10.5
91.05482	66.1
93.06496	7.1
93.07043	100.0
95.04971	27.9
95.08596	88.4
97.02893	37.4
97.06534	16.0
97.10127	7.8
99.04438	11.6
103.03935	8.1
105.07037	88.5
107.04939	7.1
107.08591	98.1
109.02855	20.1
109.06518	18.8
109.10156	75.5
111.04424	13.2
111.08038	11.2
117.06987	22.3
119.04951	5.3
119.08583	69.6
119.89275	5.2
121.06471	14.1
121.10132	56.7
123.04416	9.5
123.08047	16.4
123.11701	16.9
125.09606	5.7
127.03923	28.1
128.06192	5.5
129.05441	4.3
129.06982	13.1
131.04951	5.6
131.08551	54.2
133.10141	59.5
135.04411	4.5
135.08035	14.2
135.11687	51.8
137.05975	7.5
137.09628	7.9
141.06947	7.3
142.07755	6.2
143.08522	19.5
144.09315	5.0
145.04910	9.7
145.10121	65.4
147.11725	35.4
149.09601	14.7
149.13258	11.3
151.11220	4.8
153.01843	28.3
155.08562	8.8
157.10133	21.4
159.08035	6.8
159.11685	62.3
161.09665	6.9
161.13278	27.2
163.03876	4.9
163.07492	5.0
163.11177	11.3
163.14851	6.8
165.12790	5.7
167.07010	5.6
169.10066	9.7
171.11659	13.2
173.09555	4.4
173.13280	30.8
175.03773	5.6
175.11183	10.4
175.14766	15.1
177.12709	7.4
177.16481	5.5
182.45798	5.3
183.11703	9.5
185.13307	9.1
187.07571	5.1
187.14786	14.8
189.16431	10.1
191.14246	13.5
191.17915	12.5
197.13277	4.9
199.14822	12.8
201.12766	6.9
201.16377	75.7
203.14218	8.0
203.17978	11.5
211.14893	9.4
213.16360	7.0
217.15826	8.2
219.06343	5.9
219.13821	14.2
219.17415	49.2
225.16328	6.0
229.16039	7.4
231.17526	5.3
243.17477	9.7
289.20898	5.8
309.18439	4.9
327.19513	6.5
345.20654	14.7
363.21594	20.0
371.69409	4.4
381.09628	40.2
381.18451	9.2
381.19745	6.8
381.22736	41.4
381.27554	6.4
382.09698	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	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59291	4.1
53.03933	17.4
55.01856	12.6
55.05503	18.0
57.03415	16.3
57.07062	9.4
61.02910	9.1
67.05501	52.1
69.03429	62.9
69.07066	28.9
69.93217	19.6
71.04982	13.7
73.02904	8.3
79.05493	45.5
81.03416	48.6
81.06592	7.9
81.07050	98.1
83.04966	24.6
83.08616	10.8
85.02434	7.3
85.02905	72.5
85.06545	11.5
87.04462	10.5
91.05482	66.1
93.06496	7.1
93.07043	100.0
95.04971	27.9
95.08596	88.4
97.02893	37.4
97.06534	16.0
97.10127	7.8
99.04438	11.6
103.03935	8.1
105.07037	88.5
107.04939	7.1
107.08591	98.1
109.02855	20.1
109.06518	18.8
109.10156	75.5
111.04424	13.2
111.08038	11.2
117.06987	22.3
119.04951	5.3
119.08583	69.6
119.89275	5.2
121.06471	14.1
121.10132	56.7
123.04416	9.5
123.08047	16.4
123.11701	16.9
125.09606	5.7
127.03923	28.1
128.06192	5.5
129.05441	4.3
129.06982	13.1
131.04951	5.6
131.08551	54.2
133.10141	59.5
135.04411	4.5
135.08035	14.2
135.11687	51.8
137.05975	7.5
137.09628	7.9
141.06947	7.3
142.07755	6.2
143.08522	19.5
144.09315	5.0
145.04910	9.7
145.10121	65.4
147.11725	35.4
149.09601	14.7
149.13258	11.3
151.11220	4.8
153.01843	28.3
155.08562	8.8
157.10133	21.4
159.08035	6.8
159.11685	62.3
161.09665	6.9
161.13278	27.2
163.03876	4.9
163.07492	5.0
163.11177	11.3
163.14851	6.8
165.12790	5.7
167.07010	5.6
169.10066	9.7
171.11659	13.2
173.09555	4.4
173.13280	30.8
175.03773	5.6
175.11183	10.4
175.14766	15.1
177.12709	7.4
177.16481	5.5
182.45798	5.3
183.11703	9.5
185.13307	9.1
187.07571	5.1
187.14786	14.8
189.16431	10.1
191.14246	13.5
191.17915	12.5
197.13277	4.9
199.14822	12.8
201.12766	6.9
201.16377	75.7
203.14218	8.0
203.17978	11.5
211.14893	9.4
213.16360	7.0
217.15826	8.2
219.06343	5.9
219.13821	14.2
219.17415	49.2
225.16328	6.0
229.16039	7.4
231.17526	5.3
243.17477	9.7
289.20898	5.8
309.18439	4.9
327.19513	6.5
345.20654	14.7
363.21594	20.0
371.69409	4.4
381.09628	40.2
381.18451	9.2
381.19745	6.8
381.22736	41.4
381.27554	6.4
382.09698	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	381.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.05518	1.7
57.03438	1.3
60.04522	1.6
64.94558	1.0
67.05513	1.2
69.03414	2.0
69.07088	1.2
71.04993	1.8
74.20599	1.0
79.05492	1.5
81.03426	2.1
81.07056	2.2
84.08149	1.0
85.02898	3.4
85.90746	1.0
91.05479	3.0
93.07022	2.0
95.08608	1.7
99.04495	0.9
105.07024	1.5
107.04961	1.2
107.08642	1.2
109.02895	1.6
110.65334	1.0
117.07063	1.0
119.04911	1.1
119.08553	1.6
131.04924	1.1
131.08533	1.2
137.05989	2.1
146.06027	1.8
147.04341	1.2
152.07095	1.8
153.05418	1.0
159.11644	1.2
160.07535	1.2
164.07060	2.2
165.09152	1.2
166.05064	1.1
167.07146	1.3
167.30295	1.0
170.05966	1.8
172.07562	2.7
173.07169	1.6
174.05524	3.1
176.07011	1.4
177.05505	2.9
181.04857	1.2
183.09105	1.8
184.07642	2.3
184.10507	1.8
187.08728	4.4
188.07120	3.4
190.08536	1.0
193.07568	2.4
196.06241	1.9
197.07111	1.3
199.08644	1.8
200.07060	2.7
201.06618	4.0
202.05070	1.6
203.08258	1.7
205.09779	1.8
207.06458	1.4
208.06110	1.3
210.07578	1.6
211.08583	5.7
212.07024	2.3
214.08736	2.2
215.08168	17.4
216.06636	2.0
217.04846	1.1
217.09596	1.8
221.07063	1.4
224.05681	2.1
225.06636	3.9
227.04541	1.8
229.06111	2.4
229.09692	3.2
231.11206	1.5
233.09245	5.4
238.07329	1.1
239.08147	29.9
242.08134	1.3
243.07651	23.5
244.08379	2.2
245.09280	5.5
246.06606	1.1
247.07401	1.5
253.06091	4.6
257.09213	13.0
259.10971	1.3
260.09128	1.9
261.08588	8.7
263.07315	1.2
266.10291	1.2
267.07642	100.0
268.07944	2.8
269.09235	3.2
271.07303	6.0
272.07974	1.1
275.06934	2.8
275.10321	3.6
279.09680	1.2
282.10995	1.1
285.08688	77.4
286.09290	1.9
287.10266	3.1
289.08231	13.4
289.11591	2.0
292.07291	1.1
295.07184	11.0
302.05597	1.1
303.06531	1.9
303.09677	10.9
305.04459	2.2
307.09256	2.8
313.08173	69.8
314.08615	1.6
319.13290	1.1
320.06818	1.1
321.10770	8.8
321.14478	4.8
331.09232	94.1
332.09470	4.3
335.04916	1.2
337.07086	10.0
337.10788	1.7
338.07257	1.3
339.11938	14.1
340.15479	1.9
348.06424	1.9
349.06665	1.7
349.10291	4.9
349.14011	5.9
353.10178	8.7
363.08414	5.5
363.12289	12.2
381.09253	6.4
381.13235	17.1
381.17548	5.3
381.26843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73077	0.7
54.71161	0.7
56.96564	11.5
57.03424	1.7
61.02911	1.4
69.03416	4.0
69.70788	4.4
71.04973	0.8
73.02935	1.0
73.09086	0.8
81.03410	1.4
83.04974	2.3
84.96011	2.2
85.02901	8.3
97.02895	2.3
98.20879	1.0
98.97576	31.2
99.04510	0.9
101.00880	2.8
103.02424	1.1
109.02876	0.8
110.97577	4.6
111.04365	0.9
112.99141	2.6
115.00677	2.3
115.02410	2.6
116.98618	11.0
119.01933	5.2
127.03927	1.9
128.98604	5.1
129.02280	2.1
129.04025	1.1
131.00168	5.1
131.01881	4.1
133.01714	2.5
133.03471	13.0
134.99623	4.0
143.00130	1.7
143.01897	3.5
143.05516	0.9
145.01666	1.7
145.03439	3.5
145.04893	1.1
146.99620	3.7
147.03302	4.9
147.05034	4.8
149.01239	2.0
155.01836	4.5
157.01633	0.9
157.03468	2.7
158.99625	7.1
159.03261	5.7
159.05008	6.3
161.01331	0.8
161.02968	3.7
163.02745	2.9
165.06041	1.5
170.99655	1.4
171.03256	1.5
171.05022	5.3
173.01498	1.3
173.02953	4.7
173.04573	0.9
175.02719	2.6
175.04520	3.6
175.70695	0.9
177.00743	6.8
177.04341	13.8
177.06084	5.5
178.01253	1.1
179.02013	1.2
183.03407	1.5
183.05046	2.7
185.02907	1.4
185.06560	1.9
187.04568	1.1
187.27992	0.8
189.00696	2.3
189.04337	2.5
189.06056	3.3
193.03764	1.2
195.05360	7.9
195.07153	5.0
197.02969	2.9
197.06631	1.0
199.04561	1.0
201.00636	1.1
201.04324	7.4
201.06120	3.6
203.03998	2.3
205.03830	1.8
211.04604	1.9
211.06635	0.9
213.06059	1.3
215.07658	1.0
219.01744	11.6
219.05316	5.8
219.07161	16.6
221.05025	8.2
223.04820	2.0
225.06062	2.4
231.05099	1.2
231.07146	16.7
233.08687	2.7
237.02815	19.2
238.03123	1.2
243.05211	1.7
245.05075	9.4
245.08641	0.9
247.06721	1.4
249.06424	1.2
255.07291	5.5
259.02344	1.3
259.06680	2.2
261.03125	1.3
261.06317	3.4
261.08505	1.9
262.06976	1.5
273.08313	4.9
277.03415	3.5
277.06046	1.2
277.54819	1.4
278.03693	1.8
279.03729	0.9
279.09064	2.6
291.09464	1.5
295.07034	5.6
296.07095	1.4
303.01367	2.6
304.01669	1.8
321.10605	100.0
322.04767	0.9
322.10626	4.2
331.32047	1.0
339.09384	24.3
362.11053	1.2
381.11023	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86195	1.8
63.49455	1.8
69.44366	15.6
87.66668	2.1
90.00034	1.8
94.28547	1.8
104.16567	2.1
124.44531	1.7
145.03604	2.0
227.60771	1.9
275.06207	2.3
310.70151	2.0
381.07919	100.0
382.08240	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	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75795	5.5
55.05480	8.6
55.64349	5.5
56.36069	5.7
59.05000	43.5
60.04520	22.7
64.21830	5.3
67.05502	19.8
69.03454	13.1
69.07050	9.8
71.04992	17.0
71.27779	11.6
79.05505	13.1
81.03420	11.3
81.07047	19.0
85.02888	10.6
89.21355	5.1
91.05498	9.6
93.07040	16.2
93.17072	6.4
95.04945	10.8
95.08622	38.5
97.02879	10.0
97.06534	11.3
105.07028	9.5
107.08578	8.6
109.02869	40.6
109.10159	43.0
119.08564	24.4
121.10149	25.9
121.43870	5.3
123.08068	56.4
124.03934	8.6
127.03955	10.0
128.48071	5.1
129.05501	5.4
131.04990	5.3
135.11707	7.0
136.07559	5.0
137.09622	45.0
141.09102	19.5
165.09087	61.2
181.04965	6.4
183.10179	100.0
190.08629	6.7
200.07112	7.4
201.11226	13.9
244.09341	9.6
245.09816	22.9
253.08647	13.2
267.07449	6.9
285.08728	16.7
313.08319	6.6
331.09341	9.7
345.15219	10.2
362.25659	6.6
380.26376	27.1
381.12683	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	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92945	4.2
56.96587	3.7
59.04997	27.7
60.04521	6.1
60.50909	4.2
67.05499	11.8
69.03412	10.7
69.07063	8.8
71.04977	8.6
71.06669	11.4
81.03412	5.3
81.07039	5.8
82.25531	3.9
85.02883	9.2
91.05474	7.2
93.07039	8.7
95.08611	31.6
97.06539	9.7
105.07030	5.0
109.01624	4.8
109.02872	30.1
109.10146	32.2
111.04481	4.0
119.08557	13.3
121.10136	16.5
123.08076	45.1
124.03987	12.2
124.16100	4.3
125.06037	5.4
137.09579	39.4
140.31419	4.2
141.09081	18.3
141.27463	3.9
163.53542	4.3
165.09105	54.7
182.70406	4.8
183.10161	100.0
201.11212	11.6
250.07271	5.5
259.77014	4.9
268.08060	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	380.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20894	1.0
55.05508	1.4
60.04512	3.8
67.05496	2.1
67.05836	1.2
69.03426	1.8
69.17551	7.0
69.17971	6.0
70.06570	1.2
79.05499	2.1
81.03414	3.0
81.07053	3.2
82.28796	1.0
83.04973	1.9
84.04495	1.6
85.02885	2.8
91.05480	3.0
93.07036	3.3
95.04974	1.4
95.08637	1.4
105.07047	1.6
107.04935	1.7
107.08572	2.0
109.02850	5.9
109.06535	1.2
110.03180	2.1
121.06487	2.1
124.07518	1.3
125.09597	1.2
127.03915	1.7
148.12032	1.1
165.07022	2.4
177.05530	1.9
178.07774	1.5
179.08546	4.2
183.08047	5.8
183.10133	1.8
183.13814	2.1
188.46886	1.1
189.06943	2.6
193.06406	1.6
194.12607	1.8
207.08043	51.4
211.07541	5.6
217.06474	5.9
218.08025	2.6
218.12506	1.2
221.05920	4.9
223.07466	3.9
235.07529	77.5
236.07877	2.4
237.09192	1.3
239.07016	15.6
241.66621	1.1
253.08591	100.0
254.08932	2.3
281.08087	13.7
298.37698	1.2
299.09131	47.4
327.08490	3.2
345.09634	12.0
380.13498	1.5
380.18011	2.1
380.26321	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	380.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51152	0.6
50.65921	0.4
55.01866	0.9
55.05489	0.7
57.03424	0.6
58.13493	0.5
60.04509	1.7
61.02930	0.9
67.05500	1.4
68.18481	0.5
68.45067	0.6
69.03418	1.8
69.07037	0.6
70.05040	2.7
70.06590	0.8
71.04977	0.8
74.74483	0.5
81.03408	0.7
81.07053	0.8
83.04998	0.7
84.04492	1.5
85.02919	4.4
85.50564	0.6
86.09752	0.5
91.05450	0.7
93.07044	1.0
95.04963	1.5
95.08616	0.7
97.02883	2.0
99.04476	1.3
102.25224	0.5
103.05462	1.1
105.07019	0.7
107.04962	2.9
107.08575	0.8
107.78735	0.5
109.02886	1.2
109.06537	0.5
109.10156	0.9
117.06993	1.2
119.08528	0.8
121.06472	1.4
123.08053	0.8
126.05532	0.8
127.03934	1.5
131.04922	4.2
135.04379	0.6
137.09607	1.4
144.08099	0.8
145.06477	3.3
147.04427	1.2
149.05962	2.1
151.11195	0.9
155.04942	1.0
159.04440	2.8
165.09058	1.0
169.12224	1.5
172.07555	2.8
173.05994	7.6
175.03963	2.6
176.04665	1.5
176.07056	4.4
177.05469	16.2
181.04955	1.9
182.05336	1.6
183.04420	1.8
183.10168	4.1
185.04700	1.1
186.07590	0.8
188.07869	0.7
190.08611	1.1
191.06984	1.0
200.07053	8.5
201.05482	10.4
201.11307	0.7
204.08688	2.4
207.08026	1.8
218.08119	100.0
219.08415	2.0
222.47040	0.7
235.07625	1.5
244.09424	2.1
245.09882	4.5
253.08635	2.0
308.06241	0.8
315.68958	0.6
319.07736	0.5
344.11136	0.6
380.13135	5.7
380.26498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70789	1.7
53.03936	7.9
53.26226	1.7
55.01873	4.6
55.05507	12.8
57.03423	5.7
57.07078	4.2
61.02922	2.0
63.00925	1.8
65.03941	2.8
67.05502	26.7
69.03428	37.1
69.07065	19.4
69.60912	13.8
71.01356	1.9
71.04988	5.4
73.02908	2.1
79.05489	22.7
81.03417	30.8
81.07056	59.2
83.04971	5.7
83.08614	4.7
85.02898	20.3
85.06512	2.7
87.04463	1.9
91.05479	30.1
93.07041	62.4
95.04983	15.4
95.08603	71.9
97.02880	12.4
97.06519	9.5
97.10165	5.8
98.99808	1.8
99.04443	8.2
105.07023	75.7
107.04939	5.9
107.08585	59.6
107.09319	3.8
107.75952	1.8
109.02881	14.3
109.06555	11.2
109.10152	41.9
111.04420	4.1
111.08070	4.8
111.11727	3.6
113.05987	2.5
115.05426	3.8
117.07008	8.8
119.08578	87.2
121.06505	10.4
121.10146	34.3
123.04419	2.5
123.08065	7.9
123.11732	8.7
123.80454	2.0
125.05962	4.6
125.09615	2.5
127.03917	12.4
128.06184	2.5
129.07018	7.0
130.07756	3.1
131.08563	33.4
133.06505	4.2
133.10124	55.2
135.08072	8.5
135.11678	26.5
137.05931	4.5
137.09622	4.5
139.07565	3.4
141.06978	3.2
142.07745	4.5
143.08582	12.5
144.09357	2.6
145.10117	61.7
147.08031	6.4
147.11676	40.9
149.09599	2.7
149.13219	9.5
151.07555	3.2
155.08537	4.4
156.09308	2.2
157.06499	2.1
157.10132	16.2
159.08029	3.9
159.11676	25.0
161.05951	2.3
161.09602	12.5
161.13255	20.0
163.07494	2.0
163.11200	2.1
163.14828	5.6
165.12717	2.2
169.10110	4.9
171.08052	2.1
171.11693	10.6
173.09650	7.3
173.13255	33.2
175.11221	8.4
175.14821	20.8
177.16374	6.1
179.10660	5.2
183.11696	4.2
185.13199	3.7
187.11339	2.7
187.14810	13.1
189.12778	5.5
189.16373	100.0
190.16708	2.5
191.17900	2.1
193.12315	4.0
195.11703	2.4
197.09639	2.6
197.13322	4.3
199.11177	4.4
199.14789	15.0
201.12761	2.0
201.16406	5.8
203.03529	2.5
209.13252	2.2
211.14859	3.0
213.16440	4.3
215.14342	4.6
217.12334	5.0
217.15887	38.1
223.14787	3.0
227.17969	1.9
229.15906	3.9
231.17352	2.0
235.13226	3.4
235.16930	20.8
251.18039	2.4
278.20721	2.0
325.18005	2.8
343.19070	2.3
351.21536	2.1
361.20306	10.6
379.17062	1.4
379.21136	25.5
379.25986	4.9
379.33548	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	379.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46746	0.9
53.03938	1.8
55.01865	2.1
55.05511	1.0
68.05035	2.3
69.03431	7.0
69.13543	0.9
70.06591	75.6
71.04990	1.8
71.51221	1.3
72.77060	0.9
73.02911	1.6
81.03403	6.4
81.07059	1.4
83.04982	2.5
84.04476	1.0
84.08131	1.1
85.02919	4.1
85.07675	1.7
86.06076	6.1
91.05453	1.6
95.05019	1.1
95.08593	1.0
96.04517	1.7
97.02898	3.2
99.04462	3.4
109.02884	4.3
113.07126	100.0
114.05542	2.2
115.08706	5.2
116.07103	2.3
127.03913	68.4
137.05989	1.5
141.06578	29.6
145.04967	8.1
147.04425	2.0
159.07637	16.1
160.07608	1.3
167.06934	1.2
179.07004	1.6
181.04958	2.0
188.07100	1.6
201.08676	5.4
203.05264	0.9
206.08244	1.3
207.06541	2.5
217.04764	0.9
231.09691	2.3
240.08876	1.2
267.09793	8.4
285.10812	69.8
286.11240	1.4
303.11920	10.9
379.10263	7.0
379.14600	1.3
379.17200	1.6
380.13345	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	379.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44398	1.4
51.44332	1.2
53.03713	1.3
53.03946	13.1
55.01857	4.6
55.05514	6.7
57.03425	1.8
65.03925	2.6
67.05504	8.9
68.99814	1.2
69.03426	27.8
69.07075	10.4
71.01365	1.4
71.04978	5.4
71.50570	1.8
71.50990	1.2
79.05486	21.4
81.03415	46.2
81.07057	26.0
83.04974	17.5
83.08621	1.9
85.02896	7.1
85.06525	5.1
91.05475	16.4
93.07037	31.9
95.04965	11.5
95.08605	12.8
96.12725	1.1
97.02895	4.6
97.06520	16.2
99.04442	12.4
105.07038	31.6
107.04959	9.7
107.08580	23.0
109.02876	100.0
109.06507	19.8
109.10135	2.7
110.03168	2.1
111.04447	6.7
111.08058	4.7
113.05990	2.0
117.07011	5.1
119.04946	2.1
119.08586	17.6
121.06502	32.1
121.07384	1.9
121.10150	5.0
123.04416	2.4
123.08075	7.1
125.06012	7.5
127.03919	20.4
127.07557	6.6
128.06242	3.5
129.06979	4.7
131.04942	2.0
131.08578	7.4
133.06509	8.0
133.10103	8.6
135.04404	3.6
135.08064	10.1
137.05981	7.3
137.09610	1.7
139.07545	6.5
141.05420	2.4
141.06984	2.2
142.07770	4.8
143.06966	2.6
143.08589	6.5
145.06476	5.0
145.10127	13.5
147.04370	1.3
147.08104	6.3
147.11678	28.7
149.05988	2.1
149.09622	2.5
151.07526	3.5
151.11115	1.6
153.05426	2.1
153.06917	1.7
155.08533	2.8
156.09380	2.8
157.06494	2.9
157.10127	13.3
158.10728	1.5
159.08015	7.4
159.11691	4.3
161.05965	3.3
161.09630	4.5
161.13257	7.1
163.07497	4.0
163.11166	3.7
165.07028	1.8
165.12733	9.8
167.07016	4.2
169.10150	2.4
171.08049	3.0
171.11697	12.5
173.09622	6.8
173.13167	2.2
175.07520	4.7
175.11180	15.7
177.09038	2.3
179.07011	7.8
179.08412	1.3
181.04953	12.4
181.10115	2.3
182.07027	1.9
185.09610	2.0
187.07613	3.1
187.11182	5.4
189.09029	2.5
189.12711	16.4
189.16423	1.5
191.10716	2.6
191.14374	1.5
193.12236	13.3
197.07848	1.5
197.09557	3.2
199.11165	11.7
201.09096	4.4
205.08636	2.2
205.12238	2.4
207.06548	14.9
207.13802	8.6
209.08060	1.4
211.11314	2.0
211.13292	4.3
213.12659	1.7
215.10678	3.6
217.12230	32.2
227.10519	1.5
229.08524	1.6
233.11659	3.4
235.09557	1.7
235.13232	16.8
237.10942	2.3
243.10143	1.5
251.12689	3.3
253.14351	6.5
255.13908	3.0
259.13120	1.7
273.14825	1.9
279.13843	1.6
283.13278	3.7
297.14767	3.3
301.14218	3.5
307.13196	1.5
315.15869	2.3
319.15463	5.2
325.14392	2.8
333.13336	2.1
335.18515	1.4
337.16492	1.6
343.15286	4.0
361.12305	2.0
361.16196	7.7
379.13107	2.6
379.17477	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	379.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01859	2.3
55.05496	1.1
60.04502	1.9
65.03942	6.2
67.05495	4.6
69.03412	2.9
70.06618	1.4
70.64139	1.2
70.64491	2.6
79.05476	3.1
81.03397	2.3
81.07050	1.1
82.04180	3.2
85.02926	5.1
91.05478	11.3
93.03397	2.0
93.07034	2.2
95.04935	2.7
95.08557	1.1
97.02882	2.6
97.06509	2.8
99.04446	1.1
103.05474	1.4
105.07019	1.8
107.04960	5.5
108.02050	1.5
108.05721	0.9
109.06446	1.3
109.10105	0.9
110.03652	3.0
111.04440	1.9
118.04140	1.5
119.04941	4.2
120.08124	0.9
121.06499	5.2
123.04405	1.8
123.08022	2.0
125.05967	3.0
133.06465	2.1
136.05190	1.4
137.02296	1.1
137.05968	3.7
140.01660	1.1
142.02588	2.5
146.03621	3.2
147.04362	2.5
149.02391	1.2
149.05934	1.8
151.03964	1.1
151.07547	5.5
153.05432	4.3
153.06934	1.7
155.08481	1.0
161.05962	2.6
164.04646	2.5
167.07034	15.5
167.08459	1.6
171.06523	6.0
177.05418	2.1
179.07016	41.8
181.04951	91.7
181.06389	4.2
181.08432	8.4
182.05324	1.3
186.02040	1.2
191.07057	1.6
192.04184	3.0
193.08612	2.3
195.08080	2.3
197.05988	1.4
197.08124	1.1
198.06688	3.9
207.06517	100.0
208.06941	1.3
211.07510	1.2
213.09140	4.8
223.07385	1.1
226.06287	1.1
241.08487	5.3
242.09665	1.2
243.06541	1.2
245.11388	1.6
257.07947	0.9
269.07886	4.6
271.06015	1.1
273.11166	6.3
286.08514	1.7
287.08853	0.9
301.10706	9.9
329.10107	1.9
333.09485	1.4
333.13327	20.6
349.74982	1.1
361.12796	3.9
361.24167	1.6
378.39102	1.1
379.09686	7.0
379.14554	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03920	1.8
53.18367	0.5
55.01853	1.1
57.03439	7.6
59.04972	0.9
61.02915	3.6
67.05495	0.6
67.74118	0.5
69.03429	15.7
70.06564	0.7
70.76396	1.4
71.01335	2.1
71.04982	3.5
73.02888	2.0
73.78837	0.5
75.04465	2.5
79.05476	0.6
81.03423	4.3
81.07047	0.7
83.04963	1.0
83.90778	0.5
85.02866	0.7
85.06513	0.8
86.87926	0.5
87.04436	1.0
90.29343	0.5
91.05458	0.8
95.08577	1.3
99.04450	5.5
103.05447	0.6
109.02872	0.8
110.95949	0.5
117.05487	1.1
121.10062	0.8
135.08038	0.6
137.05939	1.9
143.31206	0.5
145.07591	3.0
151.03802	0.5
157.06392	0.7
159.09186	1.2
167.07103	0.7
167.08519	0.5
170.07092	1.8
172.08690	33.6
173.13246	0.5
179.11803	0.9
181.04987	0.6
189.81691	0.6
190.09732	1.7
193.08575	0.5
197.09489	0.6
197.12883	2.0
198.06627	7.2
200.08185	5.2
213.09027	0.7
214.09703	0.8
215.14668	0.8
216.07683	19.6
218.09254	1.1
243.08771	80.8
244.07007	0.8
244.09129	1.6
359.13574	2.6
377.14542	100.0
378.14761	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	376.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92688	2.0
52.91381	2.0
56.01960	1.9
57.06839	2.3
57.07077	29.6
70.64069	5.6
79.05489	3.1
81.07069	4.6
86.46383	2.0
91.05488	5.4
95.04964	4.5
103.05464	11.3
105.07019	6.8
107.04930	3.5
109.06551	2.0
112.84983	2.0
117.07023	7.6
118.43598	2.0
119.05000	2.2
121.06506	32.7
121.07307	4.1
123.04433	4.5
125.07093	5.3
126.05540	3.5
129.06961	2.6
131.04906	16.2
131.08571	2.9
137.05971	45.6
145.06517	6.3
145.10118	3.5
147.08052	9.2
148.09752	2.3
151.07587	2.6
153.05458	13.2
157.06505	3.5
157.10146	2.6
159.08031	3.3
161.09607	5.1
163.07542	36.9
171.08208	2.4
177.09093	26.1
179.07056	2.3
185.09636	5.2
193.08595	3.0
201.12897	2.9
203.10635	8.6
209.12823	9.4
217.12228	31.7
218.12903	5.5
219.11324	3.6
227.07027	4.0
253.08514	2.4
270.28024	2.8
271.09558	3.7
275.17514	7.1
292.20221	8.1
293.18597	6.6
302.18689	13.5
309.14899	9.8
326.00381	2.2
341.17471	62.4
376.25940	100.0
377.25919	2.6
394.27020	5.1
395.13806	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	377.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.3
56.96555	13.8
57.03444	6.5
61.02929	13.4
64.00542	5.1
67.05500	4.7
69.03433	31.5
70.06597	6.2
70.47269	11.8
73.02922	17.5
79.93939	5.2
80.03156	5.0
81.03429	15.5
85.02905	61.7
87.04466	5.0
89.03887	5.7
97.02888	37.4
98.97558	30.2
101.00920	12.0
109.02875	11.5
113.00880	5.0
115.02399	6.0
116.91220	4.4
116.98635	16.4
119.01933	61.3
121.01698	6.3
127.03931	25.2
128.98679	13.4
131.01892	30.0
133.03445	8.8
134.99646	5.4
135.04439	8.5
143.00165	7.9
143.01904	14.3
145.03455	20.4
145.04961	13.2
146.99719	6.3
149.02985	10.5
149.99687	6.6
153.01869	7.3
155.01875	14.7
157.03522	14.4
158.99644	10.2
161.01248	10.9
161.02968	36.2
162.05499	5.1
163.02690	5.2
163.03821	24.6
169.03481	14.1
170.99646	5.0
171.01416	8.6
171.05022	5.5
173.02975	39.3
175.04593	6.1
176.07086	6.6
177.00706	14.9
177.09145	12.0
185.02972	17.4
187.04498	14.3
189.00726	11.7
191.03989	13.7
193.03578	5.9
203.02167	8.5
203.03999	17.4
205.03773	4.8
206.04459	17.5
207.01616	6.9
211.04535	12.7
213.02525	20.6
215.04985	19.0
219.01839	17.6
221.02962	23.0
221.05086	27.1
225.02589	11.9
229.05768	5.3
231.03540	13.2
233.01372	10.7
237.02826	9.9
239.03938	7.0
245.05020	24.5
249.02588	7.4
251.02560	18.1
257.01450	9.2
257.04816	6.7
259.06641	17.3
261.02841	8.0
263.06143	6.8
267.03986	7.2
271.06830	7.2
275.02490	100.0
275.05511	11.3
276.03061	7.1
279.04086	7.6
287.02551	23.9
287.05890	10.3
305.03543	15.0
309.08542	9.1
317.03329	15.7
317.07147	11.4
333.09900	5.0
335.08167	12.4
377.08533	96.1
377.14148	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2891
Annotation	15-HTPE
Peak:m/z	Relative Intensity
55.05500	2.3
57.07079	1.4
67.05499	6.2
69.03423	1.1
69.07058	6.5
71.52271	1.0
71.52656	1.2
77.03894	0.9
78.77337	1.0
79.05489	13.2
81.07050	12.7
83.08636	2.3
91.05072	0.9
91.05488	8.9
93.07040	16.1
95.04953	2.2
95.08601	18.3
97.06511	1.8
97.10149	1.1
105.07019	14.9
107.08585	44.3
109.06503	2.9
109.10156	13.9
111.08066	1.7
114.84450	1.0
117.06999	1.9
119.08576	41.6
120.08910	1.3
121.06509	1.9
121.10142	13.0
123.08044	2.4
123.11699	4.2
131.08568	3.9
133.10127	24.1
135.08047	76.3
135.10710	2.0
135.11681	30.8
136.08383	1.4
137.09622	10.4
137.13239	2.9
143.08548	2.5
144.34088	1.0
145.10118	11.5
147.11670	14.9
149.09621	3.9
149.13260	3.9
151.11157	5.6
157.10143	3.5
159.11682	8.5
161.09666	1.3
161.13287	6.6
163.11211	2.5
163.14822	4.1
169.10130	2.0
171.11690	2.2
173.13242	3.7
175.11201	1.6
175.14807	3.2
183.11708	1.2
185.13248	3.2
187.14786	15.0
189.16371	67.2
190.16760	1.9
197.13249	1.1
197.45560	1.1
199.14825	3.0
201.12721	2.6
201.16385	3.9
203.14282	2.9
203.17984	1.7
205.15842	1.8
205.19545	1.2
207.17427	44.6
209.13263	1.9
211.14864	1.7
213.16316	1.4
215.14320	2.3
217.16000	2.2
227.17966	1.8
229.15927	1.2
231.17361	1.0
243.17522	2.0
321.25790	9.1
339.26804	25.9
340.27045	2.3
343.07990	1.7
345.88702	1.0
357.27866	18.5
358.28229	1.3
375.10791	3.8
375.28943	100.0
376.10562	1.3
376.29407	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	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01854	5.3
57.03427	2.7
61.02906	3.2
69.03422	13.3
70.06572	2.7
71.50350	4.5
73.02917	3.4
81.03407	6.1
85.02906	30.0
85.58340	2.8
86.09713	2.7
91.05455	8.8
97.02890	13.5
98.97613	2.9
99.04467	3.8
105.07026	15.3
109.02917	6.0
115.05432	10.4
117.03339	2.2
127.03890	13.9
133.03609	2.5
133.06493	100.0
145.04956	8.7
147.04413	3.5
153.01875	2.5
161.05981	99.5
173.04445	13.2
204.57895	2.3
214.07033	3.4
237.02795	3.9
333.06082	4.4
376.15704	2.8
377.14081	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	375.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.07079	1.4
67.05499	6.2
69.03423	1.1
69.07058	6.5
71.52271	1.0
71.52656	1.2
77.03894	0.9
78.77337	1.0
79.05489	13.2
81.07050	12.7
83.08636	2.3
91.05072	0.9
91.05488	8.9
93.07040	16.1
95.04953	2.2
95.08601	18.3
97.06511	1.8
97.10149	1.1
105.07019	14.9
107.08585	44.3
109.06503	2.9
109.10156	13.9
111.08066	1.7
114.84450	1.0
117.06999	1.9
119.08576	41.6
120.08910	1.3
121.06509	1.9
121.10142	13.0
123.08044	2.4
123.11699	4.2
131.08568	3.9
133.10127	24.1
135.08047	76.3
135.10710	2.0
135.11681	30.8
136.08383	1.4
137.09622	10.4
137.13239	2.9
143.08548	2.5
144.34088	1.0
145.10118	11.5
147.11670	14.9
149.09621	3.9
149.13260	3.9
151.11157	5.6
157.10143	3.5
159.11682	8.5
161.09666	1.3
161.13287	6.6
163.11211	2.5
163.14822	4.1
169.10130	2.0
171.11690	2.2
173.13242	3.7
175.11201	1.6
175.14807	3.2
183.11708	1.2
185.13248	3.2
187.14786	15.0
189.16371	67.2
190.16760	1.9
197.13249	1.1
197.45560	1.1
199.14825	3.0
201.12721	2.6
201.16385	3.9
203.14282	2.9
203.17984	1.7
205.15842	1.8
205.19545	1.2
207.17427	44.6
209.13263	1.9
211.14864	1.7
213.16316	1.4
215.14320	2.3
217.16000	2.2
227.17966	1.8
229.15927	1.2
231.17361	1.0
243.17522	2.0
321.25790	9.1
339.26804	25.9
340.27045	2.3
343.07990	1.7
345.88702	1.0
357.27866	18.5
358.28229	1.3
375.10791	3.8
375.28943	100.0
376.10562	1.3
376.29407	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	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03934	5.0
53.94470	1.1
55.01881	7.0
55.05268	1.6
55.05513	18.4
57.03442	7.9
57.07061	5.1
59.04994	3.3
61.02931	11.1
67.05497	10.2
69.03431	35.3
69.07070	44.5
69.35960	3.9
69.36385	6.2
70.26592	1.1
71.04986	13.5
73.02924	6.8
79.05491	7.3
81.03409	13.8
81.06603	1.5
81.07059	28.5
83.01343	1.4
83.04986	9.4
83.08624	8.1
83.31693	1.1
85.02905	80.2
85.06544	24.3
87.04465	6.9
91.03945	3.1
91.05471	3.9
93.07043	16.8
95.04961	2.7
95.08607	45.5
97.02308	1.8
97.02892	27.1
97.06541	5.6
97.10160	11.0
98.21468	2.7
99.04443	7.1
99.08099	25.6
105.07030	3.9
107.08595	27.0
107.54062	1.2
109.02895	9.8
109.06516	2.2
109.10152	18.9
111.08066	4.2
111.11707	6.7
113.09636	8.8
115.03894	1.7
119.08605	2.2
121.10143	36.9
123.04395	1.8
123.11714	11.4
125.09629	8.8
125.13291	1.5
127.03915	18.4
127.11186	1.7
133.10083	1.8
135.11690	18.0
137.13242	22.4
139.11168	7.5
145.04959	16.3
149.13234	6.0
151.07506	1.4
151.14848	6.3
153.12744	14.7
157.10051	1.1
161.06001	1.4
167.07059	1.3
177.16385	100.0
178.16669	2.8
195.17456	43.7
196.17740	1.5
205.08543	2.1
213.12866	1.3
213.16475	2.4
213.18491	48.6
214.18758	1.9
216.63251	1.2
236.32356	1.3
300.28314	1.3
328.27542	1.4
375.11386	1.7
375.23520	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	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01867	4.7
55.05500	6.3
57.03436	2.0
65.03936	4.0
66.04716	2.4
67.05509	10.7
69.03416	6.0
69.07065	9.4
69.38822	2.6
69.39223	11.9
71.04981	10.8
79.05488	45.2
80.02653	2.8
81.03411	6.3
81.07046	17.0
83.04971	2.8
83.08585	2.2
85.02897	10.5
85.06543	6.9
87.04484	1.8
89.47615	1.7
91.05476	22.2
91.09179	1.5
93.03432	1.7
93.07053	8.0
95.04965	18.4
95.08582	9.0
97.02885	3.2
97.06533	8.7
97.10177	2.0
103.05453	9.0
105.03350	2.2
105.07024	46.5
107.04948	26.5
107.08582	19.3
109.02877	4.7
109.06499	8.7
109.10149	6.7
110.03648	6.5
115.05438	6.7
117.07000	9.8
119.04927	3.3
119.08566	6.0
120.05720	1.9
121.02843	3.2
121.06491	16.1
121.10146	6.7
122.03649	5.0
123.04423	25.6
123.08050	11.8
123.11722	3.5
125.05996	20.2
125.09609	3.4
127.03915	2.8
128.06216	5.7
129.06990	6.1
131.04897	10.5
131.08545	9.5
133.06493	7.2
133.07622	5.6
133.10115	4.0
134.07286	3.1
135.04420	6.5
135.08051	45.0
135.11699	3.9
137.05969	67.8
138.03098	2.8
139.03859	1.9
141.06981	5.4
143.04903	2.0
143.08560	3.9
144.05815	2.1
145.04944	1.8
145.06456	9.9
145.10120	2.3
146.07266	5.3
147.04408	4.0
147.08029	20.2
147.11673	2.1
149.05971	3.2
149.09547	3.4
149.13246	1.7
151.03883	4.9
151.07556	2.6
153.05460	84.7
153.06758	2.8
153.12778	2.1
155.08553	2.3
157.06442	2.6
157.10143	2.0
158.07278	2.0
159.08049	15.7
159.11714	1.8
160.08815	7.5
161.05936	9.3
161.09639	4.2
162.10323	1.8
163.03896	1.8
163.07545	5.6
163.11081	1.7
165.06999	3.8
167.07037	6.6
169.06474	6.3
171.06657	1.6
171.08043	5.2
173.09615	4.6
175.07547	15.0
175.11284	1.8
177.09081	4.3
177.16348	8.5
179.07072	4.1
181.05014	3.5
181.06502	4.1
182.04539	2.7
182.07339	2.0
183.08008	3.0
187.07487	4.5
189.09178	2.6
191.03375	11.0
191.10725	3.0
195.17461	6.2
196.05273	1.8
197.05975	3.1
198.06844	4.3
199.07516	2.0
201.09100	5.1
203.03366	3.0
203.10672	2.6
205.08618	3.5
209.06030	2.0
210.04091	1.8
210.04826	1.8
210.06758	14.4
211.07611	8.3
213.05424	4.2
213.09021	3.3
213.12831	1.9
213.18518	6.2
219.10152	4.7
225.05505	4.9
226.06290	7.1
227.06970	12.4
239.06975	6.7
240.07687	2.5
241.08586	20.7
242.09377	4.5
251.07024	1.7
253.08589	3.3
253.12173	2.0
255.07788	1.8
258.08932	2.9
259.09586	1.9
264.07864	2.0
265.08487	2.4
271.09644	30.8
272.09872	2.5
273.11197	100.0
274.11478	3.9
297.11212	2.8
299.09271	2.3
307.09808	2.2
307.13107	2.3
313.07477	2.6
313.10715	7.7
313.14075	3.0
315.12396	2.3
327.12433	2.5
327.15942	3.5
329.10471	1.9
339.12146	3.5
339.15860	7.9
345.12939	2.7
357.13123	7.0
357.16998	17.1
375.11264	5.1
375.18372	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	375.1071
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
54.39510	0.2
67.05476	0.4
69.47628	0.5
69.48037	1.7
79.05476	0.3
91.05444	0.3
95.08601	0.5
98.20832	0.5
105.06984	0.3
117.20879	0.2
119.69135	0.3
121.02857	0.4
124.42437	0.2
134.56055	0.2
137.02330	2.9
137.05945	0.4
139.03864	0.4
151.03899	12.5
151.05035	0.9
153.01819	2.7
161.06116	0.3
164.04683	0.4
166.02667	0.3
171.02872	0.5
172.50983	0.2
173.05861	0.2
181.01279	1.5
183.04327	0.3
185.05875	0.3
187.03929	0.3
187.07529	0.3
201.05426	1.3
204.04109	0.3
213.05411	0.3
215.07027	0.3
217.04913	0.3
221.04514	0.3
224.58138	0.3
228.04088	0.7
229.04941	2.4
239.03479	0.3
243.06477	1.0
245.04344	0.6
256.03650	0.9
257.04391	1.7
260.03058	0.6
261.07620	1.6
267.90707	0.3
271.06061	1.0
273.03918	0.8
274.04697	2.6
283.02206	0.3
284.03275	0.3
285.03882	1.0
289.06995	2.3
299.05560	0.6
300.02634	1.1
300.05908	0.3
301.03412	1.1
302.04214	3.4
313.03400	0.7
315.05011	1.6
316.05774	1.8
317.06546	8.7
327.04950	0.5
328.05637	0.4
329.06448	0.4
330.03653	9.4
331.08072	1.8
344.05121	1.3
345.06027	93.5
346.06393	2.8
359.07544	1.7
360.08362	8.7
361.08719	0.5
375.10715	100.0
376.11090	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	375.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81228	0.2
53.03936	1.0
55.01863	1.2
57.03431	0.7
59.36410	0.2
61.02933	0.5
68.99792	0.4
69.03426	3.5
70.06566	0.5
71.04979	0.6
72.08178	0.3
73.02919	0.5
78.03453	0.3
81.03423	3.4
81.07077	0.3
82.03757	0.5
83.04971	0.5
83.13216	0.3
83.48791	0.2
85.02907	4.8
86.03245	0.3
86.09694	0.3
87.00830	1.4
88.60609	0.3
91.05454	0.5
93.07040	0.8
95.04988	0.4
97.02884	2.4
97.06555	0.3
99.04455	0.9
105.01882	0.8
105.07037	0.8
106.02910	1.4
107.03231	1.3
107.04949	0.2
107.08562	0.7
109.02870	3.4
110.92907	0.3
111.04450	0.3
111.70929	0.3
117.01823	0.4
119.08569	1.2
121.10120	0.3
123.04420	0.5
123.08029	0.4
124.03958	2.6
125.04298	1.4
127.03913	100.0
128.04236	1.3
131.08615	0.4
135.08063	0.6
137.05997	0.4
139.03943	0.4
145.04930	1.3
149.09656	0.5
151.03946	0.4
153.05457	0.5
159.02864	1.2
165.09100	0.6
167.07054	0.5
177.05435	0.4
178.05734	0.3
182.79753	0.2
195.10170	0.4
213.11156	3.0
231.05032	0.3
251.07448	0.7
267.10892	0.3
268.08228	0.5
269.08496	2.5
299.76013	0.2
315.09341	0.3
375.19168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01868	0.5
55.05503	0.3
57.03436	0.6
61.02911	1.1
66.04711	0.3
69.03425	2.6
69.07081	0.4
69.57662	1.5
69.58063	0.5
70.06598	0.2
71.04977	0.4
72.59337	0.3
73.02901	0.4
79.05489	0.4
81.03407	1.5
81.07038	0.4
82.21444	0.2
85.02905	8.4
86.09703	0.7
87.00790	0.5
87.04471	0.3
91.03991	0.4
91.05452	1.3
93.07030	0.7
94.04169	0.5
95.04990	0.3
97.02891	2.7
98.21094	1.0
99.04443	0.8
107.08606	0.4
109.02875	1.0
119.08391	0.2
121.10146	0.4
122.03622	2.4
123.04410	0.5
124.07590	0.7
127.03930	1.5
135.11760	0.3
137.05971	100.0
138.06335	1.5
141.44308	0.2
145.04976	2.2
161.05980	0.3
167.06999	0.7
176.14339	0.3
177.05513	0.8
180.03680	0.3
180.08662	0.8
181.04955	0.3
191.06981	0.3
194.15431	0.8
195.10196	3.4
212.12843	0.9
227.08334	0.3
329.30469	0.3
374.08658	0.5
374.14282	0.4
374.18512	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03941	2.4
55.01853	0.8
57.03436	1.4
59.04998	0.5
61.02913	0.5
67.05498	0.7
69.03428	10.7
69.38515	0.4
70.06595	0.6
70.70418	1.0
70.70755	0.6
71.04990	1.8
73.02911	1.3
78.03448	11.6
78.03865	0.8
79.05471	0.5
80.05020	1.7
81.03412	21.6
81.07040	0.7
85.02902	12.8
86.09684	1.9
91.05447	0.5
93.07039	0.9
95.04955	0.5
96.04488	4.7
97.02869	5.2
97.06483	0.6
98.97578	0.6
99.04440	3.1
106.02907	62.6
107.03271	1.3
107.08572	0.9
109.02879	12.6
117.03353	1.0
119.06052	0.5
119.08606	0.8
120.08065	0.9
123.04428	0.9
124.03943	100.0
125.04278	1.9
127.03899	9.2
137.05943	0.7
138.09145	0.8
139.03882	0.7
145.02847	2.3
145.04904	1.2
149.06020	1.1
153.05424	0.6
163.03914	1.1
165.09068	0.9
166.05002	1.6
167.07036	0.5
167.10707	0.5
177.00716	0.5
177.05470	5.7
181.05032	0.7
182.05347	0.8
194.08096	0.6
195.06445	2.4
195.10150	0.6
196.06076	0.8
212.09172	1.6
213.09416	0.5
213.11093	2.2
216.61288	0.5
232.06000	5.3
250.07086	23.1
268.08139	49.7
269.08548	1.7
288.76285	0.5
332.93964	0.5
374.14395	4.9
374.18143	0.6
392.21967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01861	1.1
56.87534	0.5
57.03424	2.1
61.02913	2.9
63.02352	0.6
64.31482	0.7
65.99441	0.6
67.05477	1.4
67.96757	0.6
69.03429	3.8
69.87867	3.8
70.06572	2.7
73.02889	0.9
73.06563	0.6
81.03441	2.9
81.07088	0.9
83.04960	0.9
85.02898	17.0
86.09721	0.8
89.03908	4.7
91.03947	1.0
91.05472	2.7
92.91836	0.5
95.08579	0.7
97.02884	6.1
99.04464	0.9
99.49336	0.6
101.06050	0.8
102.40730	0.6
103.05460	0.9
103.40136	0.7
107.04874	0.7
109.02849	2.4
112.07569	1.7
117.03368	12.9
119.08597	0.8
120.12993	0.5
123.04376	0.8
123.08080	0.8
127.03893	3.0
134.03621	1.0
135.04385	2.0
137.05989	1.2
140.03407	1.6
145.02834	43.3
145.04945	3.2
145.06465	1.1
146.03136	1.4
146.99353	0.6
147.04424	0.6
149.05972	7.7
150.09052	0.6
153.05519	1.2
161.06099	0.7
162.03075	1.1
163.03914	3.5
173.05986	0.9
173.41452	0.7
177.05460	100.0
178.05803	2.6
180.08679	1.7
186.05452	1.2
191.07007	1.2
195.06508	42.2
196.06836	1.1
200.04424	0.6
205.08578	1.3
213.07457	0.7
218.05736	1.1
219.06392	0.9
227.08400	0.8
233.08073	1.4
247.06233	0.6
251.09117	1.1
279.08630	4.7
374.18451	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01876	6.3
55.32290	0.6
57.03432	2.5
60.04519	0.7
61.02926	3.1
65.03940	2.1
68.99787	1.4
69.03429	14.0
70.06567	0.9
70.30721	1.8
71.05007	2.7
73.02917	3.8
81.03419	12.1
83.01340	0.7
84.33994	0.5
85.02909	42.9
87.00830	19.1
91.05484	100.0
91.11465	0.6
92.05834	2.0
95.04970	0.7
95.08641	0.7
97.02894	14.9
99.04462	5.2
103.03949	0.7
105.01868	26.1
105.07030	2.4
107.08575	0.7
108.04480	2.2
108.08147	0.7
109.02883	13.3
109.06517	0.9
109.10178	0.7
115.05441	0.8
117.01859	1.7
117.07007	1.2
119.08628	0.7
127.03918	29.7
129.01852	1.9
129.07011	2.3
131.08601	0.7
133.06511	2.3
133.10196	1.0
137.06027	3.6
145.04956	15.0
145.06525	1.3
147.02850	1.2
148.03960	2.0
149.05978	0.7
149.09625	0.8
151.03918	4.7
157.06525	1.1
158.08060	0.7
159.02925	7.1
159.13100	0.5
167.07030	1.0
171.08142	0.6
175.07584	1.7
176.10677	0.9
176.14447	0.8
177.09111	1.6
177.12796	0.9
183.99374	0.5
189.03957	2.5
189.09125	0.7
194.11842	1.8
194.15369	1.4
195.06622	0.7
199.07622	2.2
203.07060	1.7
212.16461	1.2
213.03918	1.2
217.08603	1.3
231.05035	9.1
237.15007	0.6
248.07663	1.4
249.06085	1.3
258.25433	0.7
295.07318	0.6
301.11780	1.1
321.09592	0.8
340.27493	0.6
374.13934	1.2
375.11719	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	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03930	6.1
55.01865	5.3
55.05499	14.4
57.03427	11.1
57.07086	4.3
57.74458	3.5
58.33260	3.4
66.55478	3.4
67.05501	28.8
69.03433	18.9
69.07067	15.9
70.41579	16.0
71.05000	7.2
79.05490	15.0
81.03412	14.2
81.07063	33.7
83.04980	9.6
83.08614	8.4
85.02905	41.5
85.06551	18.5
91.05453	17.5
91.07491	4.7
93.07035	31.5
95.04960	13.3
95.08610	44.9
97.02892	15.7
97.06532	19.5
97.10162	6.5
105.07029	28.6
107.04951	13.8
107.08591	25.3
109.02853	9.8
109.06510	12.7
109.10156	50.8
111.08081	14.6
115.07587	5.9
117.07003	5.1
119.08591	39.2
121.02851	4.2
121.06532	5.5
121.10156	22.6
123.04430	8.3
123.08064	15.0
123.11682	9.2
125.09607	8.0
127.03908	11.3
129.06992	6.0
130.21054	3.3
131.04926	9.8
131.08606	8.5
133.06544	5.4
133.10124	30.3
135.08047	5.2
135.11705	26.8
137.05936	16.7
137.09625	47.3
139.03871	4.6
139.11203	3.8
145.04985	7.5
145.10133	6.1
147.08002	4.7
147.11700	8.7
149.09714	6.0
151.11136	6.0
157.10132	5.2
161.05931	4.9
161.09665	6.5
163.07516	7.4
165.12656	3.7
167.07018	12.1
173.13193	5.0
175.07568	11.3
175.14836	33.6
179.14294	3.8
185.13353	4.7
191.07043	6.8
191.72923	3.8
193.08618	5.2
193.15883	55.6
211.07497	4.6
211.16936	100.0
212.17210	4.6
217.15863	11.6
235.07541	4.2
235.17123	4.3
257.08078	5.3
295.09940	4.4
309.11292	4.2
313.11484	12.0
319.22708	4.3
325.20026	6.5
327.12302	6.2
327.16351	3.8
337.23550	4.1
341.13425	12.0
355.11530	8.4
355.15479	8.8
373.12766	23.2
373.21008	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	373.2218
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.01855	6.2
55.05492	21.5
57.07060	8.0
67.05515	41.3
69.03410	30.3
69.07054	25.1
70.83420	6.5
71.04993	9.9
71.51363	9.4
77.54120	6.6
79.05484	25.0
81.03410	15.7
81.07060	54.3
83.04975	15.8
83.08612	11.2
85.02876	31.9
85.06548	13.7
86.09698	8.2
91.05477	28.3
93.07042	37.7
95.04993	6.9
95.08603	53.4
97.02873	10.2
97.06529	21.5
103.05470	9.4
105.07035	38.0
107.04948	27.2
107.08590	40.3
108.04572	7.0
109.02859	15.9
109.06522	23.7
109.10154	99.0
111.04435	7.9
111.08025	9.5
115.05402	8.6
119.08561	54.3
121.06519	8.1
121.10166	31.5
123.04389	11.2
123.08051	18.6
123.11702	15.4
125.09612	9.8
127.03919	6.4
129.06929	8.4
131.04887	16.3
133.10127	27.8
134.10419	6.1
135.08055	6.9
135.11697	83.9
137.06010	44.1
137.09608	17.6
140.21198	6.2
145.04962	13.5
145.10098	13.6
147.04346	9.2
147.11742	17.4
149.06026	8.3
151.03888	10.0
151.11226	15.6
151.14833	9.4
153.05472	100.0
154.05782	78.6
155.06004	55.5
159.11696	10.4
160.30382	7.5
161.09607	12.2
163.07524	18.7
165.12758	8.3
167.07050	22.4
173.05965	7.7
173.13202	9.1
174.06500	6.5
175.14792	39.4
177.02715	6.9
177.05487	11.0
179.82750	6.3
184.83746	6.0
187.03748	6.5
191.07060	9.1
193.08646	9.1
193.12175	7.9
193.15875	50.6
195.06454	13.3
195.08029	9.5
196.06868	19.2
197.07018	8.3
201.05423	14.2
202.05861	10.3
204.06538	16.3
211.16913	61.5
217.15846	18.8
229.14293	7.3
239.06909	8.2
239.11871	11.4
249.05701	6.6
267.11200	11.0
283.09549	9.2
297.34570	7.8
299.08771	7.3
313.11475	23.8
329.14136	8.7
341.13879	21.0
373.13257	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01851	0.6
55.05495	0.5
55.26119	0.5
57.03432	0.5
57.09621	0.5
63.45166	0.5
63.81037	0.5
65.03916	0.7
67.05499	0.6
69.03421	1.8
70.06577	0.5
71.49937	0.6
73.04774	0.5
78.03441	0.9
79.05472	1.0
81.03397	2.0
83.04949	0.7
85.02885	2.1
91.05845	3.4
92.05718	0.6
93.05466	0.6
93.07038	0.8
95.04935	0.6
97.01473	0.4
97.02876	1.4
97.06524	1.4
99.04452	1.1
105.07018	0.6
106.02914	5.7
107.04949	0.9
109.02866	1.9
109.06530	0.6
119.08545	0.5
121.06437	0.6
123.04430	1.5
124.03943	9.6
124.07566	0.9
125.07922	0.6
127.03909	1.7
130.18567	0.5
135.04356	1.0
137.05930	0.8
139.03915	0.6
145.02838	0.6
145.04933	0.6
147.04413	0.5
149.06036	0.7
151.03911	0.5
153.01826	1.0
163.03929	0.9
167.03331	0.8
167.07059	1.4
177.05487	1.8
181.04977	6.9
181.06523	0.7
193.05118	0.6
195.06578	0.8
203.05235	0.7
219.06238	0.6
221.04639	0.5
250.07130	2.3
259.02524	0.5
268.08173	3.9
269.08456	0.5
270.97607	0.9
277.03363	0.6
283.05960	0.5
355.16803	0.6
373.18341	100.0
374.14618	0.5
374.18655	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
53.11415	2.2
54.87920	2.1
55.01871	7.0
55.05502	8.3
57.03425	5.2
57.07061	2.5
59.04995	2.4
61.02916	8.0
67.05495	19.2
67.49488	2.1
69.03424	30.6
69.07072	13.0
69.49162	4.7
69.49560	13.9
71.04980	7.2
73.02914	5.1
79.05473	12.0
81.03413	14.0
81.07054	31.2
83.04964	9.1
83.08606	8.1
85.02903	100.0
85.06528	11.3
87.04469	3.6
91.03960	4.5
91.05436	12.7
93.07041	19.1
95.04953	10.7
95.08605	38.5
97.02892	24.3
97.06518	9.3
97.10175	3.9
99.04452	6.2
99.08089	4.5
103.05444	4.4
105.07032	15.0
107.04945	7.2
107.08601	20.3
108.04493	3.4
109.02888	12.0
109.06528	4.7
109.10155	32.5
111.08070	9.1
115.03918	2.5
115.05429	3.8
117.06947	3.6
119.08593	16.4
121.06468	5.4
121.10140	17.1
123.04436	10.0
123.08057	8.6
123.11703	12.1
125.09641	12.0
127.03909	26.7
129.06943	2.8
131.04904	4.0
131.08560	6.8
133.06544	2.8
133.10127	14.6
135.08066	5.3
135.11719	13.4
137.05956	11.8
137.09618	17.0
139.03896	7.2
139.11177	13.7
143.08504	2.9
145.04967	36.0
145.10094	4.7
147.07994	3.6
147.11682	6.0
149.09589	5.0
149.13216	5.1
151.03929	3.9
151.07558	2.6
151.11140	4.1
153.05423	3.8
155.08589	2.7
157.10165	4.3
160.05223	2.2
161.05969	2.9
161.13239	3.7
163.03909	2.5
163.05959	5.6
163.07495	4.1
163.11140	3.1
163.14813	2.5
165.06940	2.8
165.09116	5.0
165.12712	2.9
167.07034	6.2
169.12201	4.8
171.11664	2.8
175.07524	4.2
175.11163	3.1
175.14835	18.4
177.05406	3.2
177.16383	2.8
177.79800	2.1
179.14345	2.8
181.04938	5.4
181.15851	17.2
183.10121	2.6
185.13168	3.6
187.14851	2.6
191.07033	5.0
193.08519	3.5
193.12254	3.0
193.15936	21.8
195.17552	3.1
205.68718	2.3
206.04474	2.5
209.08069	2.7
211.16930	59.2
225.10469	3.6
231.06654	2.3
235.16908	4.0
239.11777	6.9
242.84224	2.4
250.06404	3.0
253.09181	2.9
265.08612	2.7
267.11227	8.9
295.10617	4.5
299.13416	2.9
301.21637	3.5
313.11783	21.8
319.22647	3.0
337.23456	5.1
341.10791	3.8
355.12030	4.9
373.13736	43.6
373.17761	3.9
373.22043	3.5
374.13672	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	373.1642
Annotation	Theraphin D
Peak:m/z	Relative Intensity
51.27365	0.9
53.03937	1.8
55.01873	2.0
55.05504	2.5
57.03424	1.7
65.03934	2.8
67.05495	8.5
69.03420	2.8
69.07053	1.7
69.46174	8.1
71.04977	1.3
78.04701	2.5
79.01833	1.8
79.05476	4.7
81.03414	3.2
81.07054	7.9
83.04951	1.2
83.08562	1.0
85.06525	1.6
91.05460	11.1
92.47306	1.0
93.07021	2.9
95.04951	11.6
95.08589	3.5
97.02892	1.8
102.13857	1.0
103.05451	3.9
103.50177	0.9
105.03394	3.6
105.04525	1.1
105.07010	4.3
106.98731	0.9
107.04944	4.3
107.08569	3.9
108.05714	2.9
109.02883	1.9
109.06494	4.7
109.10162	3.8
110.03646	1.1
111.04405	2.2
115.05452	2.7
117.07001	3.2
119.04924	10.7
119.08575	2.4
120.57688	1.1
121.06509	6.1
121.10115	2.7
123.04411	14.1
123.08078	1.3
123.11710	1.1
124.05257	1.5
125.09666	1.0
128.06201	3.4
129.06989	9.3
130.07710	1.0
131.04912	6.3
131.08548	2.4
133.06445	1.9
133.10098	3.1
135.04411	7.9
135.08008	2.8
136.01561	1.1
136.05139	1.2
137.05965	14.8
138.06737	1.1
139.03851	2.3
141.06960	1.8
143.04921	6.1
143.08563	1.2
145.06427	3.4
145.10103	2.0
147.04390	6.7
147.08025	3.8
147.11641	1.1
148.05147	1.7
149.05948	1.4
149.09601	1.1
150.06744	1.3
151.03877	10.5
151.11150	1.2
153.05450	5.0
157.06447	7.1
157.10023	1.4
158.07237	4.3
159.08041	5.2
161.05956	4.0
161.09621	7.1
162.06740	2.8
163.07524	7.3
165.05455	11.5
167.07069	1.5
167.08711	1.0
171.08008	1.4
171.11697	1.5
173.06004	2.8
173.09615	2.1
173.11766	1.0
175.07530	9.5
175.14601	1.2
177.09055	2.4
179.07001	3.5
187.07529	3.5
189.09097	29.2
190.09898	20.5
200.39935	1.2
203.07010	1.5
203.10600	3.2
204.11406	2.3
205.08565	4.2
213.05437	1.9
227.03200	1.6
227.06952	2.0
231.10178	2.5
239.06873	1.9
241.04718	1.2
243.06569	1.7
244.07298	4.0
255.06493	1.4
258.05084	1.3
259.05997	15.7
259.09607	9.9
271.05798	1.8
273.07434	5.4
275.09149	1.2
283.09598	1.6
285.07635	8.5
287.09109	5.9
290.07819	1.4
299.09229	12.3
301.10699	19.1
302.10995	1.7
305.11487	1.9
309.11182	2.1
311.12769	2.6
313.10748	6.3
313.14325	2.5
323.12762	1.5
327.06540	1.3
327.12280	2.0
337.14273	5.5
355.15369	100.0
356.15744	3.7
373.10556	4.5
373.18704	1.5
373.23441	1.9
373.27637	2.1
374.10992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51557	2.1
53.75845	2.3
55.05494	4.7
61.17361	2.5
67.05487	9.0
69.03419	8.4
69.07050	6.7
71.51682	2.1
71.52111	4.6
78.04738	2.7
79.05492	15.7
81.03405	9.3
81.07042	12.6
85.02893	8.3
85.06534	5.3
86.09703	2.9
90.08604	2.1
91.05434	13.6
93.07046	14.2
95.04955	8.4
95.08610	5.5
97.02876	2.9
97.06512	7.5
99.08092	4.0
103.05467	23.0
105.07011	15.4
106.04167	2.6
107.04208	4.8
107.04945	94.8
107.08598	6.4
109.02885	4.9
109.06506	4.2
109.10149	4.6
111.04417	2.8
115.05427	8.4
117.07000	4.4
119.08573	7.8
120.05721	5.4
121.06525	3.6
121.10103	9.0
123.04457	5.8
123.08061	4.0
123.11728	4.6
130.06541	18.1
131.04945	11.9
131.08560	4.0
133.06477	4.9
133.10098	9.8
135.08070	29.2
135.11594	5.5
137.05949	30.1
137.09605	2.2
145.10081	2.6
146.93921	2.1
147.04475	2.9
147.11810	2.6
149.05968	7.9
149.09625	6.0
151.03897	4.0
151.07556	3.7
152.08308	5.0
157.07607	26.9
157.10008	2.4
158.07455	2.2
159.04524	2.0
161.05971	7.0
163.06143	5.0
163.07526	100.0
165.09091	3.2
167.07028	65.0
172.33720	2.6
173.06013	3.6
175.14760	3.2
177.05472	6.0
177.09154	2.8
181.08548	4.3
189.05527	2.9
193.08554	9.1
193.12175	3.7
194.11806	2.9
195.10138	49.1
211.09685	3.1
211.16853	3.3
213.11380	2.8
214.09782	4.2
239.06654	2.7
242.09030	4.2
254.09660	2.3
267.11230	6.1
271.09857	3.7
283.09564	2.8
295.09872	3.6
313.11783	18.4
327.12418	3.7
341.14066	12.5
343.11658	3.3
351.06177	2.3
355.11804	5.0
355.16159	2.7
373.13748	38.3
373.18466	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.2
55.01862	8.5
55.05501	18.7
57.03428	9.4
57.07063	8.4
59.95195	5.5
61.02901	11.2
67.05506	45.1
68.99779	6.4
69.03421	61.5
69.07068	30.5
70.17654	9.4
70.18045	18.7
71.04980	19.5
73.04740	6.3
79.05494	54.0
81.03412	36.5
81.07056	70.6
83.04964	19.8
85.02919	48.6
85.06527	22.4
91.05367	34.9
91.05875	12.0
93.07040	60.5
95.04970	35.5
95.08617	40.8
97.02890	19.9
97.06512	15.8
98.21185	10.1
99.04441	18.0
99.08105	10.0
101.06002	12.9
103.05451	12.0
105.07030	41.4
107.04953	22.3
107.08595	71.9
109.02863	26.0
109.06506	36.8
109.10153	33.7
111.04435	11.0
111.08070	12.1
115.05457	10.4
117.06976	6.4
119.04927	37.7
119.08552	25.0
120.05220	11.0
121.06500	22.4
121.10136	48.0
123.04406	54.3
123.08042	26.4
123.11731	31.7
125.05933	7.1
125.09605	19.4
127.03941	30.7
128.06238	5.8
129.06990	9.3
131.04913	15.9
131.08571	19.7
132.05638	9.6
133.10095	42.6
134.28252	6.1
135.08051	35.7
135.11682	20.5
137.05978	35.9
137.09595	19.2
138.52988	5.7
141.06938	8.0
145.10115	21.2
147.04378	45.4
147.06454	7.3
147.07997	7.5
147.11697	19.2
148.04628	6.6
149.05978	14.0
149.09570	27.1
149.13257	12.2
151.03888	57.6
151.07570	7.6
151.11134	16.1
153.01817	13.9
153.09085	9.2
153.12701	7.1
157.10027	9.0
159.08054	15.3
159.11716	10.2
161.05928	8.3
161.09648	6.0
163.07616	12.5
163.11143	27.3
163.14801	8.5
165.05486	24.2
165.09071	7.7
165.12767	28.7
167.07059	44.6
167.10687	12.4
173.09596	6.2
173.13277	20.3
173.78513	6.0
175.03879	25.7
175.07545	11.0
176.04253	17.4
177.05576	11.0
179.07005	6.4
181.12166	9.6
187.03859	6.5
187.07513	8.5
189.09134	5.5
191.07086	6.6
191.10690	16.8
191.14337	50.4
192.07869	20.0
193.08601	5.4
204.13832	8.9
207.06377	45.0
207.08148	6.7
208.06891	23.9
209.06836	31.4
209.11516	6.7
209.15346	100.0
217.05022	7.7
217.08575	26.9
218.07315	8.3
219.08147	11.4
219.10095	42.9
227.12662	7.6
233.09721	9.7
235.07533	6.8
247.07518	9.6
249.09143	10.6
251.10588	9.2
253.08693	7.4
261.09036	13.7
263.07007	7.4
264.07797	13.6
265.08777	9.0
267.10297	13.8
269.08084	7.5
277.08551	13.3
279.10236	6.5
281.08112	9.8
283.09641	15.2
285.00897	15.9
285.07678	12.4
295.09702	10.4
296.10333	11.0
300.09888	6.5
307.09509	14.6
308.09842	6.8
309.11261	8.9
311.12720	12.9
312.09811	7.7
313.10553	9.4
317.21060	7.9
321.11099	12.4
328.12994	43.2
335.22021	13.9
339.12329	33.4
341.13791	11.2
353.10391	7.2
353.14474	11.0
353.19724	6.7
354.34641	5.8
355.07053	8.2
371.07217	15.4
371.14868	54.9
371.20453	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	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03930	2.4
57.03434	1.8
61.02920	3.1
67.05501	1.7
69.03426	10.6
69.07062	2.2
71.04967	1.6
71.46662	1.9
73.83322	1.1
79.05470	2.2
81.03408	7.2
81.07028	4.8
83.04964	3.1
83.08596	1.2
85.02901	26.3
87.04462	1.0
91.05476	2.3
91.16177	1.1
93.07040	2.7
93.13656	1.2
95.04961	4.7
95.08601	2.9
97.02892	7.8
105.07040	2.9
107.08595	7.5
109.02856	3.3
109.06526	5.5
109.10107	2.7
119.08571	2.8
121.06512	1.1
121.10161	8.7
122.07262	1.3
123.08056	3.9
123.11683	2.1
126.29037	1.1
127.03930	5.6
131.08539	2.0
133.10088	1.7
135.08078	2.3
135.11713	1.2
137.05945	3.2
137.09592	8.3
137.13277	1.2
139.69701	1.0
145.04950	5.9
149.09631	9.4
149.13242	4.2
151.03873	1.4
151.11171	14.8
159.08075	1.5
165.12744	44.3
167.07043	3.0
173.13257	2.1
187.07495	1.3
191.14317	10.0
193.15944	1.1
209.15359	100.0
217.08513	2.3
233.09657	1.6
239.06987	1.1
241.08479	1.6
261.09030	1.3
278.09372	1.8
285.07574	3.6
300.09845	3.0
314.32489	1.2
321.11075	1.6
328.12927	1.3
353.13812	2.4
371.14603	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01860	0.7
55.05511	2.5
57.03431	0.6
61.02908	0.9
67.05495	0.6
69.03430	3.4
69.07053	0.5
69.49432	1.9
71.04984	0.9
71.08565	0.2
73.02899	0.3
79.05500	1.2
81.03427	1.5
81.07052	1.1
83.04983	2.1
83.08625	1.4
85.02905	6.8
85.06529	0.4
87.04456	0.4
91.05483	1.0
93.07037	2.8
95.04941	0.8
95.08607	1.1
97.02898	2.6
97.06521	0.8
97.10169	0.3
98.20856	0.4
99.04462	0.6
100.11255	0.4
102.64217	0.2
103.03958	0.6
105.07032	2.0
107.04945	0.5
107.08593	1.3
109.02889	1.2
109.06479	0.5
109.10198	1.2
109.10994	0.2
111.08129	0.5
111.08934	0.2
113.06010	0.3
119.04959	0.2
119.08562	0.9
121.06523	0.5
121.10149	3.7
123.08054	1.0
123.11691	0.5
124.03976	0.5
125.05930	0.3
125.09609	0.5
127.03899	1.8
131.08583	0.4
133.10118	0.6
135.08060	0.6
135.11705	0.4
137.05963	0.7
137.09612	1.8
139.11203	1.2
145.04961	1.0
145.10147	0.3
149.09618	100.0
150.09947	1.9
151.11174	1.2
154.11157	0.2
159.11659	0.3
162.24052	0.2
163.11171	0.4
167.07066	1.7
167.13080	0.2
167.14323	1.4
169.12288	0.3
173.13206	0.4
175.03958	0.3
181.12233	2.0
191.14316	6.7
192.93858	0.2
207.06441	0.3
209.15367	18.1
210.15146	0.3
217.08569	0.4
233.15376	0.3
323.99380	0.3
353.14075	0.3
355.06863	0.2
371.16299	0.4
371.20688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.21316	1.8
53.03934	6.7
55.01873	12.9
55.05509	34.4
57.03442	10.7
59.04995	4.3
61.02928	11.0
67.05509	14.5
69.03428	49.9
69.07072	13.8
70.06605	2.6
71.04975	5.6
71.51009	3.6
73.02925	5.8
78.95010	1.8
79.05482	9.5
81.03421	18.0
81.07049	22.6
83.04974	49.5
83.08161	3.2
83.08617	38.9
85.02899	58.7
85.03384	3.8
85.06548	4.6
87.04463	8.3
91.03944	3.8
91.05471	8.1
91.05888	2.6
93.07032	19.7
95.04966	14.2
95.08589	23.3
96.07581	2.1
97.02891	29.6
97.06529	11.9
97.10148	4.8
99.04442	9.1
100.79407	2.1
103.03954	8.6
105.07029	13.6
106.02924	2.0
107.04952	6.0
107.08593	24.2
109.02863	11.1
109.06532	10.4
109.10133	19.0
111.04461	2.8
111.08069	11.2
113.09638	3.0
115.05405	2.4
119.04943	2.1
119.08588	8.1
121.06501	4.2
121.10156	17.1
123.08043	14.5
123.11715	7.8
124.03932	2.5
125.05990	7.4
125.09613	12.1
127.03892	20.1
127.07545	3.1
127.11227	2.5
131.08611	4.0
133.10135	7.9
135.08063	5.2
135.11746	3.5
137.05937	11.0
137.09579	2.8
139.07536	2.5
139.11179	25.2
143.07094	2.5
145.04961	11.5
145.10133	5.9
147.11681	4.6
149.06036	2.7
149.09616	12.6
149.13243	6.8
151.11172	37.9
153.09103	5.2
155.10660	3.5
161.06009	4.0
161.13329	2.2
162.50571	2.2
163.07507	3.9
163.11206	3.6
163.14804	8.4
165.09206	2.5
167.07065	13.4
167.14307	40.4
169.12221	5.3
173.13260	4.6
181.12225	47.1
185.08113	6.7
191.10620	2.6
191.14314	8.0
193.08597	3.6
195.10172	4.3
207.06520	4.1
208.06839	2.3
209.07173	3.1
209.15358	100.0
219.10229	2.2
233.15300	10.4
249.09097	2.3
250.50629	2.2
256.15237	2.0
263.16364	3.2
268.97678	2.1
271.98862	2.0
285.01007	2.5
293.17389	2.1
295.15393	2.6
299.16113	2.2
313.16296	2.9
317.17566	3.2
335.18481	6.0
339.97620	2.1
353.19409	2.6
355.06833	2.7
371.16632	39.7
371.20697	20.3
377.01828	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80192	1.2
53.03936	3.1
54.22545	0.9
55.05502	3.3
57.03431	2.2
59.04993	1.1
61.02910	3.5
67.05496	4.2
69.03428	16.8
69.07056	3.7
71.04960	1.8
73.02962	1.1
79.05484	3.5
81.03414	12.8
81.07054	6.6
83.04978	5.1
83.08633	1.1
85.02902	26.2
85.06544	1.6
87.04435	1.1
91.03963	1.5
91.05441	5.5
93.07038	6.4
95.04974	6.0
95.08606	6.6
97.02897	8.4
97.06519	1.3
99.04440	3.3
99.08120	1.7
100.11243	2.9
105.07040	5.9
107.04974	1.7
107.08596	9.6
109.02892	6.1
109.06491	6.0
109.10144	3.0
111.08068	1.3
112.57937	0.9
119.04951	1.5
119.08562	4.0
121.06508	2.2
121.10139	12.3
122.07294	2.2
123.08070	3.9
123.11689	3.0
125.09610	1.6
127.03909	8.5
131.08534	2.5
133.10112	3.6
135.08020	4.3
135.11717	2.7
137.05971	1.9
137.09602	11.8
145.04953	4.4
145.10132	2.6
147.04457	1.3
147.11642	3.2
147.20613	1.1
149.09619	10.1
149.13287	4.8
151.03973	1.2
151.11172	14.8
163.03920	1.1
163.11166	3.3
163.14937	1.3
165.12747	40.6
165.14160	2.0
167.07040	8.4
167.10640	2.6
173.13243	2.6
175.03932	1.6
175.07626	1.4
179.74985	1.0
191.06943	1.6
191.10661	3.8
191.14299	15.3
192.07797	1.2
193.15924	1.7
207.06644	1.9
208.06960	2.1
209.07034	1.6
209.15359	100.0
210.15477	2.3
272.42096	1.6
285.01099	1.4
339.12369	1.1
371.16037	3.7
372.15561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.2
55.01862	8.5
55.05501	18.7
57.03428	9.4
57.07063	8.4
59.95195	5.5
61.02901	11.2
67.05506	45.1
68.99779	6.4
69.03421	61.5
69.07068	30.5
70.17654	9.4
70.18045	18.7
71.04980	19.5
73.04740	6.3
79.05494	54.0
81.03412	36.5
81.07056	70.6
83.04964	19.8
85.02919	48.6
85.06527	22.4
91.05367	34.9
91.05875	12.0
93.07040	60.5
95.04970	35.5
95.08617	40.8
97.02890	19.9
97.06512	15.8
98.21185	10.1
99.04441	18.0
99.08105	10.0
101.06002	12.9
103.05451	12.0
105.07030	41.4
107.04953	22.3
107.08595	71.9
109.02863	26.0
109.06506	36.8
109.10153	33.7
111.04435	11.0
111.08070	12.1
115.05457	10.4
117.06976	6.4
119.04927	37.7
119.08552	25.0
120.05220	11.0
121.06500	22.4
121.10136	48.0
123.04406	54.3
123.08042	26.4
123.11731	31.7
125.05933	7.1
125.09605	19.4
127.03941	30.7
128.06238	5.8
129.06990	9.3
131.04913	15.9
131.08571	19.7
132.05638	9.6
133.10095	42.6
134.28252	6.1
135.08051	35.7
135.11682	20.5
137.05978	35.9
137.09595	19.2
138.52988	5.7
141.06938	8.0
145.10115	21.2
147.04378	45.4
147.06454	7.3
147.07997	7.5
147.11697	19.2
148.04628	6.6
149.05978	14.0
149.09570	27.1
149.13257	12.2
151.03888	57.6
151.07570	7.6
151.11134	16.1
153.01817	13.9
153.09085	9.2
153.12701	7.1
157.10027	9.0
159.08054	15.3
159.11716	10.2
161.05928	8.3
161.09648	6.0
163.07616	12.5
163.11143	27.3
163.14801	8.5
165.05486	24.2
165.09071	7.7
165.12767	28.7
167.07059	44.6
167.10687	12.4
173.09596	6.2
173.13277	20.3
173.78513	6.0
175.03879	25.7
175.07545	11.0
176.04253	17.4
177.05576	11.0
179.07005	6.4
181.12166	9.6
187.03859	6.5
187.07513	8.5
189.09134	5.5
191.07086	6.6
191.10690	16.8
191.14337	50.4
192.07869	20.0
193.08601	5.4
204.13832	8.9
207.06377	45.0
207.08148	6.7
208.06891	23.9
209.06836	31.4
209.11516	6.7
209.15346	100.0
217.05022	7.7
217.08575	26.9
218.07315	8.3
219.08147	11.4
219.10095	42.9
227.12662	7.6
233.09721	9.7
235.07533	6.8
247.07518	9.6
249.09143	10.6
251.10588	9.2
253.08693	7.4
261.09036	13.7
263.07007	7.4
264.07797	13.6
265.08777	9.0
267.10297	13.8
269.08084	7.5
277.08551	13.3
279.10236	6.5
281.08112	9.8
283.09641	15.2
285.00897	15.9
285.07678	12.4
295.09702	10.4
296.10333	11.0
300.09888	6.5
307.09509	14.6
308.09842	6.8
309.11261	8.9
311.12720	12.9
312.09811	7.7
313.10553	9.4
317.21060	7.9
321.11099	12.4
328.12994	43.2
335.22021	13.9
339.12329	33.4
341.13791	11.2
353.10391	7.2
353.14474	11.0
353.19724	6.7
354.34641	5.8
355.07053	8.2
371.07217	15.4
371.14868	54.9
371.20453	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01855	2.4
55.05503	5.2
57.03429	4.5
57.07077	2.4
59.04989	1.9
65.03938	2.7
67.05493	6.5
69.03073	2.5
69.03420	16.5
69.07059	6.8
69.44774	4.4
69.45181	10.9
71.04980	1.9
79.05485	6.2
81.03421	9.9
81.07050	8.7
83.04972	5.5
85.02901	34.0
85.06509	2.2
91.05484	8.1
93.03400	2.8
93.07049	9.9
95.04965	7.5
95.08605	7.5
97.02886	10.8
97.06551	3.6
99.04446	3.5
103.05450	2.0
105.07028	9.5
107.04926	3.1
107.08576	14.9
109.02882	6.0
109.06516	8.2
109.10153	5.6
111.04445	3.2
115.05459	1.8
119.04931	3.0
119.08571	5.5
121.06496	3.7
121.10136	17.4
123.04393	2.7
123.08061	5.6
123.11703	4.1
125.05972	6.0
125.09625	3.5
127.03889	8.4
128.66505	1.8
129.07002	2.1
131.04953	2.1
131.08562	4.1
133.10123	5.2
135.08055	3.3
135.11697	2.7
137.05934	9.5
137.09608	13.6
145.04939	5.9
145.06502	1.9
145.10144	3.4
147.04434	3.4
147.11694	2.4
149.09616	13.4
149.13272	5.4
151.03902	3.7
151.11183	15.7
153.05447	13.7
159.04408	2.0
163.11192	4.1
164.07063	2.0
165.05502	2.5
165.12744	44.4
167.07045	9.7
173.05983	4.2
173.13269	6.4
175.04015	2.3
175.07524	2.2
175.52892	1.7
187.07582	2.5
189.70757	2.0
191.10640	2.4
191.14316	19.3
193.15858	3.0
195.06522	8.7
201.05453	5.0
207.06447	2.5
209.15361	100.0
210.15761	3.0
217.08539	3.5
229.04698	2.3
250.52094	1.7
261.08994	2.7
269.04489	1.9
313.10770	2.6
328.12848	2.2
353.10397	1.9
371.03339	2.5
371.11261	4.8
371.15588	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	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	33.1
69.21723	59.0
69.22139	34.8
70.06581	8.6
70.99825	8.8
73.02879	10.1
81.03393	13.1
85.02908	48.4
97.02852	14.8
98.97562	11.9
114.63930	11.3
119.01908	10.5
127.03925	23.1
137.75546	9.5
145.04893	15.5
147.04353	14.3
161.02959	16.8
200.04376	9.0
245.04897	12.8
371.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01870	4.1
55.05496	1.6
56.96560	8.4
57.03428	2.8
61.02918	4.4
62.45567	1.4
65.03954	1.4
69.03426	13.1
71.05003	1.7
71.49524	2.8
73.02899	3.5
73.04755	17.8
73.19405	1.3
73.75197	1.4
74.02419	2.7
75.02066	1.4
75.02686	1.3
80.41080	1.5
81.03407	7.4
83.04972	4.5
84.96021	2.0
85.02905	29.0
85.46156	1.5
87.04422	2.1
91.05801	100.0
93.03724	2.1
94.06569	24.4
95.04976	2.3
97.02885	15.0
98.97553	9.4
99.00815	2.7
99.04452	2.3
104.04977	2.2
105.52414	1.6
108.08100	3.4
109.02853	2.5
109.06814	2.8
110.97570	1.8
111.04421	4.7
114.07358	6.1
115.03908	1.7
116.98622	9.7
118.06551	8.5
119.01920	3.2
120.04484	8.2
123.04408	3.0
127.03886	7.8
128.98636	3.6
129.05449	2.4
131.01886	2.1
132.08102	3.4
132.24895	1.9
134.06082	1.9
134.99637	4.3
136.07562	16.1
137.06006	8.9
138.05461	2.5
145.04968	4.1
146.06012	18.6
146.99670	1.9
147.04411	5.3
147.06502	2.5
149.05899	1.8
150.05513	7.9
151.03929	1.8
152.07112	2.5
153.00800	2.0
153.01837	12.1
158.05978	2.7
158.99670	3.5
160.07634	3.0
161.01271	1.9
161.02910	2.9
162.05487	4.9
163.02701	2.2
163.03914	2.1
163.08688	3.7
164.07056	5.2
167.05602	3.6
167.06987	2.5
169.03494	5.0
170.05984	3.0
170.99515	2.2
173.02943	3.4
174.05496	7.5
177.00774	2.1
179.03406	3.8
190.04828	2.6
191.08269	2.1
192.06554	25.9
201.00690	2.1
209.09229	25.1
210.07698	2.6
210.09552	1.6
219.01743	4.5
221.05038	1.9
234.07671	2.3
237.02776	7.3
266.08035	2.1
266.99988	5.4
268.97739	18.6
269.97830	2.1
270.07541	3.7
270.95743	1.8
272.08282	2.4
283.03021	3.4
285.00946	43.2
286.01016	3.1
293.05502	2.1
299.06155	6.3
303.01868	10.8
318.09756	4.2
336.10739	1.7
353.13400	3.0
355.06952	27.6
356.07059	3.4
371.14465	6.1
373.08087	2.0
381.10361	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43470	0.3
55.01846	0.7
56.96553	0.4
57.03407	1.0
57.07077	2.8
59.05013	0.3
61.02890	0.4
67.05502	2.9
69.03390	1.2
69.07034	0.4
69.92337	1.6
70.06580	0.5
73.02888	0.6
73.04713	0.9
79.05451	0.5
81.03416	2.1
81.06992	0.3
83.04952	0.4
83.51210	0.4
84.08131	0.5
85.02895	2.3
85.06543	8.0
91.05749	2.7
92.05771	0.5
94.06548	0.3
95.04931	1.1
97.02885	0.8
97.06490	0.5
106.02872	0.8
106.06533	0.5
107.04903	0.4
109.02888	2.7
118.06512	0.7
119.04919	0.7
120.04472	1.6
120.05201	0.6
123.04375	0.4
124.03934	0.8
127.03852	0.9
130.06430	0.4
132.08022	0.7
135.04417	0.3
136.06174	39.0
137.04575	2.4
137.06494	0.7
145.05019	0.4
146.05988	2.1
147.04372	1.0
148.04974	0.4
148.06163	10.2
148.07353	0.7
149.06015	0.4
150.03062	0.3
151.03929	0.6
153.05504	0.4
154.07257	0.5
155.05652	4.1
160.07553	0.8
161.06003	0.3
162.05528	0.4
163.03833	0.8
166.07188	0.5
167.07048	0.4
172.07570	0.4
175.03847	0.9
176.04274	1.2
184.07532	0.5
185.08177	0.8
190.04906	0.4
190.08562	0.7
190.10822	1.1
198.98041	0.3
202.10909	2.0
207.06445	1.6
208.06802	3.1
208.09641	0.8
208.11748	0.4
209.04395	1.2
217.05098	0.4
220.09912	0.6
220.11919	6.7
237.36710	0.3
238.12970	100.0
239.13297	3.3
268.97922	0.8
281.53165	0.4
285.00961	1.8
355.06970	0.9
370.11615	1.3
370.17200	18.3
371.12546	0.5
371.16974	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	369.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33289	1.3
53.03933	1.7
53.78922	1.1
55.01857	1.2
55.05509	11.6
56.20128	1.1
57.03449	1.5
57.07060	3.1
65.03938	2.6
67.05511	22.3
69.03413	2.0
69.07064	16.6
69.60743	4.9
69.61176	4.1
70.96013	1.2
71.04990	1.7
71.08624	4.1
74.27598	1.4
76.93798	1.2
79.05495	19.7
81.03430	2.0
81.07053	44.2
83.04965	2.0
83.08611	5.3
85.96030	1.1
91.05478	36.0
93.07041	40.6
93.53769	1.3
95.04969	4.3
95.08605	44.8
97.06516	3.8
97.10149	3.9
98.21551	2.2
99.08102	2.6
105.07030	41.2
107.08593	45.6
107.09320	2.6
109.06497	4.8
109.10153	24.4
111.08082	3.2
115.05466	1.3
117.07011	6.1
119.08575	39.7
121.06496	2.3
121.10143	35.0
123.08057	2.6
123.11693	13.3
125.09535	1.7
129.07004	1.3
131.08569	12.7
133.10127	29.5
135.08049	1.6
135.11693	30.5
135.12721	1.7
137.09631	1.4
137.13257	4.1
139.11156	1.3
143.08546	3.4
145.10118	23.2
147.04503	1.8
147.11688	60.0
149.13243	18.0
153.12744	1.5
155.08522	1.4
157.10144	4.3
159.11691	15.6
161.13249	33.7
163.14818	15.6
165.12781	4.8
171.11714	4.6
173.13237	11.6
175.03949	3.6
175.14833	12.6
177.12794	1.9
177.16397	4.6
179.14313	4.5
181.15915	1.7
183.11697	1.8
185.13261	4.6
187.14848	8.5
189.16382	14.0
191.17949	7.9
197.13223	2.4
198.10172	1.3
199.14876	5.2
201.16388	7.8
203.17970	10.7
207.06497	6.5
207.17453	5.0
213.16338	2.9
215.17950	13.9
216.18353	1.3
217.19554	4.8
227.17986	4.4
229.19556	14.3
231.21100	1.6
233.19125	1.8
241.19557	4.0
243.21014	2.6
247.20598	1.9
255.21071	7.1
257.22726	3.0
261.22186	3.3
267.21133	1.6
273.22168	3.5
277.21387	1.4
281.22687	2.9
289.21539	3.5
299.20877	2.3
299.71768	1.4
333.24277	3.1
351.25491	5.0
351.30508	15.9
369.31555	100.0
370.31924	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03942	1.8
55.01870	0.4
57.03431	1.1
61.02916	0.3
64.37433	0.3
65.03926	1.3
67.05503	0.3
68.98629	0.2
69.03428	5.7
69.75576	1.6
71.04990	0.7
73.02923	0.4
76.03179	0.3
77.03920	0.9
79.05499	0.5
81.03413	15.1
81.07030	0.5
85.02899	6.1
89.03882	0.6
89.58920	0.3
91.05476	25.2
92.05325	0.2
92.05842	0.4
93.07034	0.5
95.04951	0.5
97.02873	1.3
97.06506	0.7
99.04463	1.5
103.05459	0.9
105.03394	0.7
105.07021	0.3
107.04965	0.4
109.02870	5.7
118.04131	0.5
119.04932	36.7
120.05279	0.6
121.02879	0.5
123.04429	0.5
127.03925	1.6
129.03384	0.8
129.04395	0.3
131.04904	0.3
132.02036	2.1
133.02844	0.3
133.10152	0.3
134.03682	0.3
135.04453	0.6
136.05157	0.6
139.03911	2.3
145.02858	0.9
147.04398	31.6
148.04767	0.3
149.02292	1.3
157.03944	2.7
161.05946	0.2
162.03139	0.3
163.03911	0.7
164.04648	1.5
175.03894	51.5
176.04285	1.3
177.01978	0.3
179.07039	2.7
192.04158	3.0
201.09081	0.5
207.06509	100.0
208.06834	3.6
225.07484	2.1
277.08600	0.3
309.09641	0.8
351.10712	17.2
352.11130	1.1
369.11838	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	369.1176
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03932	1.9
55.01874	0.5
57.03423	1.1
62.15926	0.4
65.03938	1.1
69.03434	6.1
71.04651	0.7
71.04992	0.8
73.02911	0.7
75.19535	0.4
77.03907	0.9
81.03416	14.2
85.02907	5.7
89.03899	0.5
91.05479	25.8
92.05804	0.5
95.83770	0.4
97.02893	1.4
99.04418	1.5
103.05481	0.8
106.69107	0.4
109.02872	5.9
118.04113	0.9
119.04936	37.5
120.05328	0.6
121.02880	0.4
127.03924	1.3
129.03404	0.7
129.78951	0.4
131.04913	0.9
132.02089	1.9
135.04387	1.1
145.02805	0.7
147.04404	31.3
149.02318	1.4
152.11307	0.4
153.05510	0.4
157.03975	3.0
160.01563	0.4
162.03395	0.5
163.03851	0.9
164.04671	1.1
175.03902	49.9
176.04237	1.2
179.06999	3.3
192.04201	2.5
207.06516	100.0
208.06830	2.6
222.41484	0.4
224.06865	0.4
225.07567	1.8
253.13158	0.4
309.09573	0.9
351.10721	16.5
352.11169	0.7
369.11905	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	369.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03936	2.4
55.01865	1.0
56.95099	0.6
57.03429	1.2
65.03943	0.9
69.03425	8.8
70.31123	1.8
71.05001	1.4
73.02908	1.2
79.05507	1.0
81.03419	15.8
81.07084	0.6
85.02904	6.4
89.03885	0.7
91.05474	26.7
93.07059	0.7
95.04935	0.9
97.02885	1.6
99.04441	2.3
103.05466	0.8
107.08540	0.7
109.02876	7.5
110.70597	0.6
118.04174	1.1
119.04939	34.2
120.05200	1.0
127.03878	2.8
132.02046	1.3
133.02849	1.4
133.06493	1.3
133.10040	0.7
135.07971	0.6
137.05940	0.9
145.02869	1.0
147.04408	31.6
148.04745	0.9
149.02341	1.4
155.44699	0.7
157.03986	2.3
164.04646	0.9
167.07034	1.1
175.03906	56.6
176.04242	1.3
179.07030	2.5
182.61580	0.7
192.04167	2.4
207.06522	100.0
208.06892	3.9
225.07608	2.2
279.69891	0.6
309.09521	0.9
351.10727	20.1
352.10989	0.9
369.11761	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
58.45781	0.3
61.83558	0.3
65.03918	0.7
69.03425	2.2
69.68197	2.2
71.04928	0.4
77.03904	0.6
81.03418	4.0
85.02901	1.9
85.65208	0.4
89.03917	0.5
91.05480	18.3
95.04959	0.6
97.02892	0.8
98.20807	0.4
99.04433	0.6
103.05473	0.6
104.60272	0.5
105.03384	0.8
105.06989	0.4
109.02874	1.5
119.04939	29.6
123.11748	0.6
127.03922	0.5
129.03400	0.8
132.02063	1.6
133.02808	0.5
135.04424	0.6
139.03903	1.1
146.03648	0.4
147.04401	26.5
148.04752	0.7
149.02342	1.0
157.03937	2.7
164.04691	1.1
175.03906	46.2
176.04300	1.1
179.07062	2.1
192.04153	1.1
207.06520	100.0
208.06834	2.1
225.07593	0.6
331.64441	0.5
351.10760	5.6
369.11942	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	369.1178
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03957	2.0
53.58934	0.4
55.01866	1.3
57.03418	1.2
65.03922	1.1
67.85911	0.4
67.86710	0.4
69.03434	7.5
69.73991	2.7
71.04989	0.7
73.02902	1.0
77.03929	0.8
79.05476	0.7
81.03420	12.9
85.02901	4.3
87.54254	0.4
89.03910	0.9
91.05482	26.2
92.05831	0.6
95.04955	0.5
96.36977	0.4
97.02898	3.3
98.20773	0.4
98.21348	1.1
99.04445	4.5
101.02367	0.8
103.05453	0.7
105.07085	0.6
107.04993	0.5
107.08611	0.7
109.02876	5.5
118.04140	0.5
119.04942	38.2
119.93501	0.4
123.04451	0.6
127.03923	6.1
129.03391	1.0
132.02051	1.8
135.04309	0.9
136.05180	1.0
139.03893	0.6
142.39777	0.6
145.02803	1.0
146.03633	0.5
147.04408	33.7
148.04723	0.7
149.02344	1.6
151.11177	0.8
157.03973	3.3
162.03099	0.4
164.04704	1.4
167.03455	0.8
167.06998	1.0
175.03911	51.5
176.04309	0.7
177.05472	1.0
179.07014	2.5
189.12744	0.9
191.14374	0.6
192.04211	2.2
207.06525	100.0
208.06873	3.2
225.07599	1.9
228.80606	0.4
309.09717	0.6
351.10721	10.6
369.11581	3.3
369.18973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
52.31661	0.6
52.78156	0.5
53.03945	3.3
55.01854	0.7
57.03419	1.5
65.03918	1.7
69.03086	0.7
69.03425	8.9
70.86208	1.5
71.04974	1.0
73.02885	1.5
77.03928	1.0
79.05482	0.6
81.03416	24.0
85.02905	7.6
89.03918	0.8
91.05479	31.9
92.05795	0.8
95.04949	0.7
97.02881	2.0
97.06506	0.9
99.04446	2.3
103.05424	1.3
105.03371	0.9
109.02870	7.5
109.10219	0.6
118.04108	1.2
119.04937	44.2
119.08614	0.6
120.05247	0.8
121.10136	0.6
123.04408	1.3
127.03922	2.9
129.03322	1.0
131.04980	0.6
132.02025	2.2
133.02841	1.1
135.04391	1.3
136.05176	1.0
145.02823	1.5
146.03639	0.5
147.04399	37.5
149.02275	1.3
157.03995	4.4
159.88057	0.6
163.04044	1.0
164.04588	1.1
175.03905	60.4
176.04289	2.3
179.07007	3.8
192.04187	3.5
207.06516	100.0
208.06898	2.8
219.10138	1.3
225.07639	2.0
255.42267	0.5
267.09280	0.5
309.09814	0.6
351.10727	24.6
352.10934	0.9
369.07883	0.6
369.11652	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
65.03942	0.8
69.03431	0.4
70.56852	0.9
74.18480	0.3
75.63372	0.3
77.03931	0.7
81.03429	0.6
85.68152	0.3
91.05486	16.7
92.05822	0.4
92.26311	0.3
97.02896	1.4
103.05496	0.4
105.03410	0.6
106.04189	0.3
107.04971	0.4
109.02855	0.5
116.87411	0.4
117.03432	0.6
119.04943	26.5
120.05288	0.5
129.03397	0.4
132.02087	1.2
133.02876	0.4
133.67677	0.3
145.02837	0.7
147.04413	25.5
148.04753	0.7
149.02393	0.8
157.03989	1.7
164.04718	0.8
175.03909	43.1
176.04266	1.8
177.05415	0.7
179.06992	1.9
192.04167	0.3
207.06531	100.0
208.06857	3.7
225.07568	0.6
351.11160	0.4
369.11786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03947	2.1
53.95717	0.5
57.03419	1.3
65.03925	1.2
69.03429	4.9
69.68989	2.7
71.04983	0.6
73.02879	0.6
77.03892	0.6
79.05452	0.5
81.03413	13.8
85.02901	4.9
89.03884	0.8
91.05478	25.4
95.04990	0.7
97.02866	1.4
98.20810	0.8
99.04433	1.8
99.08045	0.5
100.71461	0.4
103.05448	0.5
105.03409	0.5
105.07024	0.8
107.04948	0.6
107.08587	0.5
109.02881	4.7
118.04176	0.9
119.04938	35.1
120.05257	0.7
121.10114	0.9
123.04403	0.5
127.03892	1.9
129.03363	0.6
131.04916	0.6
132.02066	1.4
133.02817	0.5
133.10106	0.4
135.04407	0.6
136.05196	0.6
137.05937	0.4
139.03870	1.7
144.19951	0.4
145.02777	0.8
146.03517	0.5
147.04401	30.2
149.02336	1.5
149.09543	0.6
157.03958	2.5
163.03909	1.3
164.04649	1.3
167.07028	0.5
175.03899	50.2
176.04291	1.4
179.03310	0.5
179.07036	2.4
179.08424	0.4
191.10701	0.6
191.14172	0.6
192.04140	1.8
192.05739	0.4
207.06512	100.0
208.06781	2.2
219.10126	0.5
225.07578	1.0
237.14822	0.6
260.64655	0.4
268.32220	0.4
295.06485	0.5
309.09882	0.6
313.06937	0.7
351.10721	17.2
352.11182	0.7
369.12021	2.4
369.19040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
65.30203	6.0
69.03411	20.0
69.42007	53.9
75.81672	6.7
81.03398	9.4
83.04966	7.8
85.02902	44.1
91.05466	16.1
93.07024	10.6
95.08568	7.0
96.12508	6.8
97.02878	15.0
98.21556	11.5
107.08564	19.7
109.10152	15.0
117.07042	6.7
119.04933	30.7
127.03860	16.5
130.06511	8.1
131.06862	10.1
132.08008	12.8
135.11696	55.4
143.10616	7.2
145.04916	14.3
145.06511	8.3
146.05983	11.4
146.38127	6.6
147.04410	23.6
153.12726	67.3
159.09177	11.5
160.09543	8.3
167.03432	15.3
171.06366	19.0
175.03883	44.3
188.07103	17.5
206.08101	28.9
206.10034	14.3
207.06477	100.0
248.09183	9.3
355.48120	6.8
369.11285	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	368.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06416	1.0
55.01873	1.1
57.03423	3.3
61.02916	3.2
69.03422	8.9
71.04975	1.1
71.50848	1.5
73.02942	1.4
81.03423	5.7
84.04552	0.9
84.09978	1.0
85.02904	35.0
91.05479	15.5
93.07053	1.4
97.02895	8.9
99.04446	1.2
103.03919	2.1
103.05497	1.1
105.07019	1.0
109.02888	4.7
109.03529	1.1
115.05453	1.7
117.05737	1.5
117.07006	1.3
118.06535	33.7
118.07373	1.7
119.04935	24.3
127.03906	6.5
129.03362	0.9
129.07004	1.0
130.06517	30.4
131.04926	1.3
131.06851	2.9
132.08067	10.6
135.08130	1.0
142.06529	3.1
143.07309	6.3
143.08250	1.0
144.08093	17.7
145.04985	1.7
146.06001	22.1
147.04404	20.7
148.09497	1.0
149.02388	1.5
151.16841	0.9
154.06519	2.4
156.08096	14.1
157.04012	2.9
158.05992	3.4
160.07570	34.6
168.06705	0.9
168.08086	4.2
170.06006	15.4
172.07562	17.5
173.08156	1.3
174.09048	1.3
175.03905	38.3
177.05464	2.8
179.07066	1.7
180.08037	2.2
182.09607	1.0
183.06779	2.3
184.07526	6.9
188.07056	31.6
196.07550	2.6
202.08607	8.3
206.08118	75.0
207.06520	100.0
207.08188	4.0
208.07587	1.3
210.09200	1.5
212.07014	0.9
218.08107	7.4
226.08589	2.0
230.08087	7.5
233.80247	0.9
238.08665	1.1
244.09911	0.9
248.09183	30.5
250.08640	1.1
256.09433	2.2
257.10379	2.2
268.09827	1.7
272.09137	1.3
282.15436	2.3
284.09323	1.4
286.15646	0.9
290.10284	1.2
314.10193	2.5
332.11304	13.8
333.11398	1.4
334.86758	1.2
350.12372	3.6
369.11838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	1.4
57.03427	2.8
61.02926	2.3
63.98877	0.9
69.03432	9.6
70.06596	1.1
71.04980	1.7
71.50381	1.1
71.50719	1.3
73.02910	2.8
73.39636	1.0
79.05507	1.1
81.03418	6.4
81.07069	1.9
85.02903	38.7
85.06572	1.1
85.66252	1.0
87.04384	0.8
91.05474	14.9
95.04918	1.5
97.02893	12.3
99.04449	2.9
103.03944	2.0
103.05479	1.3
105.03396	1.2
109.02870	5.9
115.05422	1.5
117.05733	2.1
117.07072	1.8
118.06538	44.8
119.04939	20.8
119.08532	1.1
121.10206	1.0
123.04367	1.0
124.03880	1.2
127.03931	7.7
129.07005	2.9
129.09109	1.2
130.06519	36.7
131.06770	1.9
132.02115	1.4
132.08089	15.2
134.61249	0.9
137.73318	1.0
142.06531	2.8
143.07317	7.7
144.08078	22.4
145.04935	2.2
146.06010	28.0
147.04399	18.2
147.09151	0.9
147.45305	1.1
148.09552	1.3
154.06514	2.5
155.07233	1.8
156.08105	15.4
157.03961	1.3
158.06007	4.1
158.09637	1.3
160.07573	47.6
161.07945	2.1
164.04697	1.0
164.80400	1.1
167.07188	1.9
168.08098	4.5
170.06003	18.8
170.07321	1.7
170.09665	1.0
171.10213	1.6
172.07567	20.2
174.09077	2.5
175.03915	32.1
177.05522	2.1
179.07059	3.0
180.08121	1.9
182.05997	2.3
183.06793	2.4
184.07574	10.7
186.09149	1.6
188.07063	43.6
189.07445	1.1
196.07550	2.3
198.09143	2.0
200.07030	2.4
202.08614	13.4
206.08122	100.0
207.06519	73.4
208.07651	1.6
212.07060	3.4
218.08134	9.5
226.08638	2.0
230.08159	8.9
238.08630	1.5
240.09985	1.7
244.09599	1.6
248.09181	36.1
250.08708	1.2
256.09616	2.4
257.10422	1.3
258.11353	1.3
272.09171	3.5
273.48810	1.0
282.15268	1.6
284.09024	1.7
286.10657	1.6
290.10107	1.2
293.12103	1.8
313.03165	1.2
314.10193	2.6
332.11252	20.6
341.02917	2.2
350.12271	5.8
367.92603	1.1
368.13110	1.2
369.02283	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01854	4.7
55.05511	27.1
57.03432	3.3
57.07072	11.2
65.03925	6.8
67.05501	48.5
69.03419	7.3
69.07063	27.9
69.40228	16.2
71.04993	8.6
79.05488	44.1
81.03416	2.9
81.07054	53.8
83.04963	6.5
83.08611	11.3
85.06540	7.3
91.05472	61.6
93.07041	72.4
95.04967	35.4
95.08606	66.5
97.06514	16.1
97.10181	2.8
99.53098	2.2
103.05450	5.3
105.07025	82.1
107.04942	2.6
107.08590	73.4
109.06514	16.1
109.10145	44.2
111.08109	3.9
115.05443	5.5
116.06245	3.1
117.07034	21.5
119.08578	100.0
121.06491	10.6
121.10144	48.3
123.08044	4.9
123.11710	17.5
125.09557	2.6
128.06209	11.3
129.07007	19.1
130.07761	10.0
131.04868	2.2
131.08562	58.2
133.06535	2.7
133.10132	58.7
135.08066	19.5
135.11676	25.8
137.09627	5.2
139.11140	5.1
141.06969	7.2
142.07800	19.6
143.08554	37.1
144.09322	15.4
145.06413	2.7
145.10120	68.5
146.07230	5.7
147.08081	10.7
147.11682	22.7
149.09605	12.9
149.13242	6.9
155.08522	14.9
156.09306	16.3
157.10130	58.3
158.10904	7.1
159.08073	5.6
159.11693	42.6
160.12482	2.7
161.09616	40.6
161.13229	13.9
163.11171	6.2
163.14806	2.6
166.07751	2.6
167.08595	5.3
168.09349	5.2
169.10130	16.5
170.10889	7.9
171.11691	29.1
172.12321	4.4
173.09619	6.7
173.13216	24.6
175.03943	4.2
175.11153	10.2
175.14784	18.6
177.12776	3.2
179.08577	10.1
181.10088	12.7
182.10919	5.7
183.11653	23.1
184.12566	4.5
185.09608	4.1
185.13258	16.6
187.11143	4.7
187.14778	15.8
189.16286	5.4
194.10909	9.5
195.11707	15.1
196.12506	6.2
197.13217	17.2
199.11206	3.2
199.14755	13.4
201.12743	6.0
201.16411	9.8
205.15865	4.1
207.11612	5.9
209.13232	26.6
210.13947	4.3
211.14725	12.4
213.12836	5.7
213.16345	6.9
221.13411	4.1
223.14838	6.6
225.16370	5.4
227.14307	19.3
237.16426	5.3
239.18018	9.6
241.19383	3.7
251.17972	3.2
253.19548	3.3
255.17410	5.8
257.19031	4.9
265.19504	3.0
267.17572	4.4
269.19125	5.2
283.20517	3.0
349.25281	9.9
367.26163	21.6
367.30093	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
53.69328	2.1
55.01856	4.9
55.05509	25.1
57.03439	12.1
57.07042	2.8
60.69910	2.1
65.03934	4.9
67.05504	100.0
69.03400	3.8
69.07069	20.6
71.04977	4.7
71.12244	4.0
79.05486	29.8
81.07050	55.1
83.04967	5.6
83.08591	9.3
85.06512	3.1
91.05480	23.2
93.07040	25.6
95.04948	5.3
95.08602	46.5
97.06499	6.2
97.10166	10.4
102.38512	2.2
105.07024	19.7
107.04945	3.7
107.08580	22.2
109.06500	4.3
109.10156	30.4
111.08072	3.3
117.06998	7.1
119.08593	19.4
121.06459	3.0
121.10152	10.2
123.08041	3.6
123.11694	4.5
125.09607	8.9
129.06975	2.6
131.08591	9.8
133.10123	12.7
135.08011	4.0
135.11665	5.7
137.09598	7.2
143.08551	2.8
145.10117	7.7
147.11668	11.6
149.09621	4.2
149.13222	6.5
151.11154	2.6
155.08470	2.6
157.10031	2.7
159.11674	8.2
161.13237	2.7
163.11201	3.9
171.11583	2.5
173.11748	8.4
173.13222	4.4
175.03777	2.9
175.11139	2.7
178.23877	2.2
189.11195	4.4
257.19083	2.9
275.20120	16.3
276.20441	2.9
293.21100	6.9
367.24954	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	367.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20217	1.3
52.36559	1.1
53.03935	1.3
53.45550	1.3
55.01871	2.4
55.05503	1.7
56.96573	12.4
57.03426	5.1
58.99859	2.1
59.04995	1.4
61.02909	4.5
67.05499	1.6
69.03429	11.1
69.07066	1.3
70.06583	5.0
70.98104	1.8
71.05013	1.3
71.50335	2.1
72.93777	1.7
73.02913	3.3
77.00874	3.5
79.01833	1.8
81.03394	3.9
83.04942	2.3
85.02911	18.1
87.04452	2.4
88.13856	1.4
91.03947	1.9
91.05465	2.9
95.01941	2.2
95.04955	1.5
97.02905	11.6
98.97592	14.7
99.04440	2.9
101.00887	17.2
102.01031	1.1
103.05418	1.9
104.32024	1.2
105.00359	4.1
107.04919	1.3
109.02855	3.6
110.97552	1.7
111.04424	1.8
113.00854	3.9
114.12924	1.3
116.98631	6.3
117.06982	4.5
118.01107	3.8
118.06529	3.2
119.01926	100.0
119.04913	1.9
120.01978	2.5
121.01652	2.3
121.03471	1.6
123.04392	1.6
127.03901	6.2
127.08662	1.5
128.98566	3.2
130.06497	3.6
131.00246	2.1
131.01917	35.6
131.04967	2.6
132.08087	3.2
133.01619	1.8
133.03459	4.5
134.99632	4.0
135.04343	2.1
137.02960	31.0
137.05980	5.7
142.03468	7.9
143.00133	2.1
143.01865	6.5
144.08078	4.5
145.03471	14.6
145.06479	2.7
146.06013	13.7
146.09630	3.4
146.99654	4.7
147.04411	5.0
149.02972	15.6
153.01828	19.1
154.02138	3.2
155.01883	9.6
156.02670	3.1
156.04942	1.4
156.08093	2.7
157.03465	5.9
157.06345	1.5
158.97469	2.6
158.99687	2.8
159.09163	2.5
160.07547	3.3
161.01433	2.3
161.02959	21.4
162.99188	1.5
163.02658	3.0
163.03758	2.6
163.04054	2.9
163.04649	2.4
163.06239	2.4
164.07047	1.6
168.08049	1.6
170.06010	3.7
170.99634	1.8
172.07536	2.7
173.02988	22.9
174.09158	2.1
175.03992	2.9
177.00679	3.7
181.07404	2.7
184.04544	2.3
185.01395	1.9
185.02843	7.3
186.99057	1.7
187.02658	1.8
187.06165	1.8
188.07086	24.8
189.00691	2.1
191.02335	1.6
191.03995	2.9
192.10309	3.3
193.00148	2.8
193.03552	4.0
196.04651	1.6
197.02928	2.1
197.06619	2.9
199.04427	1.9
201.82683	1.4
202.08615	3.0
203.02267	1.3
203.04033	7.8
205.00113	2.2
205.03575	4.7
205.05571	2.5
205.07451	9.0
205.09534	9.0
207.04980	2.1
209.06482	3.1
211.00926	1.5
217.05557	1.7
217.07452	3.2
219.01746	3.7
219.05066	13.8
220.05840	3.4
221.04863	9.7
221.06709	3.6
223.04636	4.7
226.05898	2.0
227.07542	2.5
230.08199	7.9
233.06624	9.1
234.99045	5.3
235.04536	1.6
237.00739	1.4
237.02750	7.2
237.06100	2.9
239.07663	3.5
241.05737	2.9
245.06714	13.8
247.01147	1.9
247.04771	3.6
247.10744	2.3
251.07671	6.8
252.99963	2.0
261.06094	2.0
263.07675	39.9
264.07910	2.0
265.05582	5.3
275.07458	1.5
283.06656	3.7
286.09290	3.1
289.09857	1.8
295.06589	4.6
305.10675	1.4
307.04657	4.8
307.10727	13.3
325.07703	1.9
350.12314	5.6
367.08701	66.8
367.13379	3.4
368.09143	3.1
385.05161	1.8
385.09790	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	4.0
60.45895	4.1
62.04905	3.4
67.05493	17.1
69.03410	6.7
69.07038	3.5
69.49714	27.4
71.05000	21.1
79.05511	6.2
81.07051	36.4
83.04991	4.8
85.02896	5.6
91.05487	9.8
93.07039	15.7
95.04953	6.7
95.08627	7.0
97.02853	3.9
98.20750	5.7
105.07031	9.1
107.08599	53.0
109.06540	7.4
109.10177	25.2
123.08048	6.1
123.11694	33.4
133.10155	28.2
144.05273	6.2
151.11174	53.6
169.12236	100.0
193.64558	4.7
200.09090	5.1
205.04758	27.3
218.10068	7.2
228.08450	8.0
245.09148	6.6
246.09544	18.5
260.10986	6.0
264.10617	15.5
275.95261	3.9
275.98529	4.1
288.10522	9.5
305.11276	6.7
306.11588	42.3
320.34952	3.9
324.12579	14.7
334.11160	7.7
349.09369	3.8
366.13708	41.2
367.09689	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	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90842	0.1
66.43916	0.1
70.28213	0.1
71.50224	0.2
82.99911	0.2
101.00867	0.6
116.98636	0.1
119.01917	6.1
120.01981	0.2
122.97884	0.2
131.04913	0.2
134.99846	0.4
137.02959	3.0
140.98795	0.2
142.03459	0.2
142.63318	0.1
153.00925	0.6
158.99863	0.7
165.99623	0.3
175.03082	0.2
177.00946	18.4
178.01038	1.1
179.00668	0.1
182.99951	0.5
193.04074	0.4
195.01979	0.3
200.02576	0.6
201.00856	0.9
216.05832	0.1
217.04056	2.9
218.03973	0.2
219.01999	25.4
220.02107	1.4
221.01910	0.3
225.00829	2.3
226.01027	0.2
227.99638	0.2
235.00035	0.6
236.00093	0.6
236.99721	0.3
238.46771	0.1
241.05484	0.1
242.03708	0.8
242.99449	0.3
243.01952	5.4
243.04274	0.3
244.02126	0.3
247.03667	0.1
254.01060	0.2
255.00780	0.2
259.00009	1.0
260.00195	1.0
260.04514	0.2
261.03046	100.0
262.00098	0.3
262.03168	5.0
263.03104	0.5
266.03583	0.5
275.04623	0.3
277.00964	0.9
278.01129	1.4
279.00934	0.9
280.00903	0.5
282.99936	0.9
284.00082	2.0
284.04654	6.2
284.99771	0.5
285.04810	0.4
301.01013	2.7
302.01175	5.3
302.03998	0.1
303.00876	1.6
307.06143	0.4
314.09848	0.1
319.01938	0.2
320.02295	0.4
325.01047	0.3
326.01401	0.2
342.02051	0.2
343.02060	1.1
343.10309	0.1
344.02185	2.3
345.01797	0.3
361.03464	0.2
362.03174	0.8
364.51315	0.2
367.01907	0.9
373.01862	0.2
385.03186	4.6
385.10776	0.2
386.03244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60359	2.6
53.03934	2.6
55.01867	3.2
57.03428	3.5
59.04990	5.2
60.04520	19.4
61.02913	4.5
67.05499	16.3
69.03438	10.4
69.07058	8.4
70.98130	5.0
71.04983	28.1
79.05478	9.1
81.03407	5.1
81.07052	45.2
83.04971	3.3
85.02889	25.0
91.05486	11.3
92.28823	2.3
93.07044	22.2
95.04964	6.1
95.08611	14.6
97.02880	10.7
97.06540	3.4
105.07018	16.8
107.08582	55.4
109.02863	5.1
109.06509	7.2
109.10159	23.3
113.05994	2.7
115.05482	3.0
121.10152	2.8
123.11697	28.2
127.03889	7.6
129.01587	2.0
132.49586	2.1
133.10110	32.8
137.05943	2.8
143.04861	4.0
144.05228	2.4
145.04958	3.9
151.11174	71.8
159.11749	2.1
169.12230	100.0
175.07602	2.5
176.07832	4.7
187.13367	2.0
208.50812	2.1
237.44154	2.0
265.65271	2.0
282.99347	2.1
330.26413	7.3
331.17404	6.0
339.08447	2.3
348.27466	7.9
366.28705	10.7
366.33051	2.3
367.10339	6.6
388.37332	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16811	2.2
55.01851	2.6
55.05499	3.1
56.48772	2.5
57.03425	6.0
57.07071	3.8
58.65416	2.8
59.04999	3.3
59.92142	2.2
60.04519	16.7
61.02916	4.3
62.68340	2.4
67.05485	10.4
69.03419	11.5
69.07047	5.4
70.06604	3.6
70.97856	3.1
70.98200	4.0
71.04974	8.4
79.05512	12.6
81.03400	4.2
81.06671	3.0
81.07061	38.2
83.04966	4.3
84.04501	4.6
85.02899	24.0
85.06527	2.7
86.09698	5.7
91.05475	14.6
92.05788	2.7
93.07041	19.7
95.04977	5.9
95.08591	15.1
96.08926	2.4
97.02885	7.1
97.06528	5.4
99.04445	5.6
102.03189	2.2
105.03497	2.7
105.07026	17.0
107.04912	3.7
107.08589	29.1
108.04495	3.9
108.08885	4.0
109.02888	3.7
109.06510	3.9
109.10153	15.8
110.43686	2.3
111.08050	4.1
117.07049	2.6
119.08596	5.9
120.08081	3.8
121.10133	8.6
122.02415	5.9
122.10472	3.4
123.08073	8.4
123.11710	43.5
124.07530	2.6
125.04144	2.2
125.09529	4.2
126.05482	2.4
127.03893	5.7
130.06593	2.3
131.08540	3.5
132.95808	3.2
133.10139	16.2
135.08064	3.3
137.09589	2.2
144.08057	5.2
145.04910	5.1
147.07991	4.4
147.09158	74.7
148.12007	4.3
149.09641	4.8
150.09914	2.7
151.11169	39.5
160.07616	3.2
161.05978	4.7
161.09511	2.6
166.04897	2.9
166.08617	3.2
167.05295	3.0
168.06480	4.3
169.12242	31.3
173.06088	3.0
174.13640	3.3
176.07069	6.9
183.04825	2.6
186.09129	7.5
187.07591	4.2
189.01759	2.9
189.10229	3.5
192.14571	3.9
196.06032	6.4
197.06314	5.7
198.96933	3.3
204.06573	5.2
204.08630	5.1
204.10330	3.0
263.08685	2.8
281.14960	100.0
309.31299	2.4
310.93192	3.1
324.15515	5.9
330.26416	2.6
334.11169	4.5
348.04160	3.4
348.15698	3.7
348.27420	4.3
350.13437	33.9
366.11609	4.8
366.16882	4.4
366.21094	4.6
366.28351	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	366.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.01863	5.2
56.48417	4.5
57.03438	4.8
58.35761	6.5
67.05499	8.3
69.03420	21.8
70.06572	8.1
71.50549	9.1
79.05484	6.1
81.03407	18.7
81.07048	9.4
82.06537	5.9
83.04961	5.8
84.04526	7.2
85.02886	18.7
91.05461	12.2
93.90824	4.9
95.01295	8.3
95.04932	11.3
97.02889	13.0
105.07021	9.1
107.04950	5.5
107.08569	8.3
109.02923	6.5
110.06046	6.6
110.07067	5.1
111.04458	6.4
120.08132	9.5
122.06022	6.6
123.04417	17.1
126.05469	6.6
130.06511	14.2
131.04944	7.1
133.06497	8.7
133.10040	6.4
135.04364	8.0
137.05956	7.6
138.05461	7.9
139.03885	21.9
142.08620	9.5
146.05968	7.9
147.09178	17.0
151.03836	8.3
155.03383	12.0
161.05936	6.4
162.05502	94.7
163.03923	16.7
164.07024	6.3
169.08598	6.0
176.07083	16.7
179.03268	6.4
180.06577	11.2
181.04880	7.0
182.05676	5.7
183.78973	5.7
186.09120	12.9
190.05025	11.1
202.15346	5.3
203.04909	6.6
204.06552	100.0
204.10287	11.3
220.07709	6.0
222.03896	7.3
232.83102	5.6
234.13480	6.9
281.14963	23.1
323.11328	10.5
330.09778	7.1
339.01086	7.8
366.11234	15.9
366.15659	7.5
367.04233	18.9
367.16861	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	366.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.6
69.36878	1.2
69.37279	4.4
69.54282	0.5
82.52678	0.6
87.53320	0.6
98.20786	1.3
98.97582	0.7
101.00871	0.9
101.82150	0.6
102.71460	0.5
113.92437	0.6
115.37370	0.6
116.98631	0.8
119.01906	6.7
134.99785	1.6
137.02963	4.6
149.47650	0.5
153.00853	0.6
158.99759	0.6
160.04463	0.6
165.12199	0.5
176.99388	1.1
177.00946	23.6
178.01054	2.4
179.00735	2.8
179.02046	0.5
182.99902	0.7
192.98953	1.0
193.04063	0.6
200.02551	1.3
201.00890	1.1
201.07141	1.5
203.71591	0.6
215.70439	0.6
217.04021	3.0
218.03571	0.9
219.01982	33.1
220.02039	2.6
221.01758	5.3
222.01756	0.7
222.97945	0.6
225.01036	2.4
234.99963	6.9
236.00137	2.2
236.99780	1.9
240.98906	1.6
242.03568	1.8
243.01851	4.0
245.01694	0.6
253.01126	2.6
254.01152	0.9
258.99963	11.7
260.00220	3.0
260.04675	1.2
261.00006	4.6
261.03033	100.0
261.99933	2.2
262.03152	4.3
262.99911	0.9
263.02774	4.6
264.02945	1.1
264.99048	1.2
277.01022	19.0
278.01071	5.4
279.00943	8.1
280.01074	3.1
281.00562	1.1
282.99963	22.6
283.06271	1.0
284.00049	3.3
284.04703	6.5
284.99683	1.7
285.99872	2.4
286.99557	1.1
291.00888	0.6
301.01025	56.8
302.01123	10.8
303.00787	5.4
304.00992	8.6
305.00656	2.2
305.99762	0.7
315.01056	0.8
319.02127	4.3
324.02414	2.7
324.08673	0.9
325.01141	2.5
341.02240	1.1
342.01901	9.3
343.02075	22.5
344.02261	0.8
351.45840	0.8
351.95297	0.8
354.93710	1.0
356.93362	0.7
360.03259	1.1
360.96094	1.9
361.03159	9.2
366.03287	2.9
367.02103	0.8
384.03125	5.8
385.03250	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40582	0.9
53.03934	2.8
55.01868	7.3
55.05511	28.0
56.96556	3.5
57.03436	10.7
57.07064	1.3
59.04997	1.3
59.30176	0.8
59.55950	0.8
65.03936	1.9
67.05503	34.5
67.90816	0.9
68.05891	0.8
69.03428	14.4
69.07068	41.1
69.30725	7.9
71.04991	5.0
73.02912	1.9
79.05492	28.3
81.03414	7.7
81.07053	27.9
81.07525	1.2
83.04994	5.5
83.08614	10.5
85.02902	2.1
85.06539	1.9
91.03950	1.4
91.05479	18.3
93.07037	19.2
95.04974	9.9
95.08603	17.0
97.02882	17.4
97.06541	4.8
97.10166	17.9
98.20773	1.8
98.97566	2.6
103.61863	0.8
105.07027	12.1
107.04960	8.2
107.08581	16.4
109.02863	2.0
109.06525	4.2
109.09474	1.3
109.10158	13.6
111.04433	1.1
111.08063	3.0
115.05444	1.4
116.98592	2.0
117.07004	6.8
119.04874	1.1
119.07803	1.5
119.08582	15.1
121.06507	3.9
121.10146	7.2
123.04394	1.6
123.08092	4.9
123.11689	2.0
125.09631	12.2
126.09958	0.9
129.06973	2.5
131.08572	10.5
133.06520	2.4
133.10106	7.8
134.99635	1.0
135.08055	3.4
135.11702	4.7
137.09566	3.2
142.07799	1.3
143.08546	3.7
145.10121	8.0
147.08040	5.6
147.11661	4.3
149.09615	2.1
149.13261	3.5
151.11223	1.3
153.09091	1.3
157.10109	3.9
159.08057	1.1
159.11682	4.5
161.05919	0.9
161.09601	3.5
161.13306	1.3
163.11177	2.2
165.09105	2.2
165.12822	1.2
169.10065	1.2
171.11676	2.8
173.09526	1.7
173.13264	1.5
175.11186	2.2
175.14844	0.9
177.00766	1.9
177.12796	1.6
179.10591	1.4
181.12314	1.0
183.11754	1.2
185.13243	1.6
187.14769	0.9
189.11249	7.4
189.12802	1.4
193.12120	1.8
195.11810	1.2
195.13785	2.8
197.13388	1.1
199.14857	1.1
201.16495	1.3
203.05571	1.0
203.17963	1.2
205.12204	3.1
211.13329	1.3
217.15913	1.0
218.95148	0.9
223.13257	30.5
227.17905	1.2
245.19064	2.5
255.17468	2.3
263.20184	1.7
267.09064	5.1
269.10593	1.8
273.18472	14.0
284.12286	1.1
285.10059	9.9
286.10410	2.0
291.19525	100.0
292.19815	1.8
301.13205	1.6
308.11752	2.0
347.22623	1.3
347.27362	1.0
358.56290	1.0
365.13849	8.3
365.23276	41.1
365.32693	1.3
366.14200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58101	1.3
53.03932	6.8
53.17144	1.3
55.01868	11.6
55.05511	37.1
57.03433	16.4
57.07060	2.1
58.53461	1.5
60.62247	1.5
60.81583	1.5
61.02907	2.4
65.03931	3.4
67.05501	47.1
69.03431	19.4
69.07066	47.0
70.06597	1.5
70.16328	3.4
70.16753	4.2
71.04989	4.0
79.05494	36.1
81.03416	11.7
81.07053	49.9
82.07390	1.6
83.04981	9.4
83.08618	12.9
85.02905	4.2
85.06548	2.7
91.05477	35.0
91.06030	2.5
93.07039	36.3
95.04973	14.6
95.08601	25.8
97.02886	17.7
97.06497	7.1
97.10166	19.4
98.21503	1.7
98.97556	2.0
99.04427	1.8
99.08080	1.7
103.05441	2.2
105.07034	29.0
107.04958	16.3
107.08581	27.4
109.02875	6.3
109.06518	9.7
109.10148	21.4
111.04480	1.9
111.08065	4.7
115.05445	2.5
117.07019	12.2
119.04964	2.5
119.08591	21.5
121.02877	1.3
121.06516	7.6
121.10155	13.3
123.04467	1.7
123.08074	8.5
123.11743	3.4
125.05969	1.6
125.09619	18.5
127.03922	2.1
128.06169	1.7
129.07040	4.5
131.08539	15.0
133.06499	5.9
133.10115	19.4
135.08044	10.3
135.11699	7.6
137.09625	4.5
139.11191	2.4
141.06952	2.3
142.07797	2.5
143.08580	6.9
145.06493	2.8
145.10114	15.1
147.08060	6.4
147.11678	9.5
149.09590	7.5
149.13281	4.6
151.07520	2.2
151.11179	8.8
153.09119	1.7
155.08559	2.2
157.10094	8.0
159.08055	3.1
159.11644	7.6
161.09666	7.0
161.13231	3.9
163.11174	5.1
165.09119	2.6
169.10170	2.4
171.11726	4.8
173.09674	2.9
173.11801	1.8
173.13251	2.5
175.07617	1.8
175.11200	5.8
175.14758	3.3
177.09106	3.1
177.12840	2.6
179.10796	2.4
181.10146	1.9
183.11656	2.4
185.13275	5.5
187.14769	2.1
189.11208	11.2
189.12715	2.6
195.11746	2.8
195.13805	4.6
197.13361	1.8
199.14923	3.2
203.14284	3.0
203.17958	1.9
205.12302	4.2
207.11873	1.5
217.15778	1.9
223.13269	26.3
245.19031	2.0
249.14946	1.9
249.40462	1.5
253.14243	1.9
255.17387	3.0
263.20023	3.0
273.18439	23.1
285.10110	3.5
291.19522	100.0
292.20004	2.5
301.21478	2.0
347.22153	3.2
347.27057	1.8
365.10611	2.5
365.23322	49.8
365.28348	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	365.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
67.05475	1.1
69.03398	1.2
69.57787	4.5
74.06068	0.6
80.33270	0.7
80.84963	0.7
81.03408	0.8
81.07047	0.7
85.02866	0.7
91.05448	0.8
95.04935	1.0
96.04477	1.3
97.02818	1.1
98.06057	0.9
98.21301	2.1
102.31187	0.6
115.05437	1.1
120.04444	0.9
122.06020	2.5
123.02228	0.7
124.03922	0.8
134.05981	1.3
136.07567	0.8
137.05910	1.0
138.05496	3.5
140.07043	2.6
143.04918	5.6
146.09607	1.6
147.07939	0.9
147.09100	0.8
148.03896	1.6
148.07553	5.7
150.05449	0.8
156.08047	1.0
158.05969	0.9
160.07532	1.9
161.05908	1.3
161.07103	1.1
164.07140	0.7
166.04982	4.6
168.06546	1.9
170.09622	1.3
171.09146	1.8
172.07570	3.7
173.10881	0.7
174.07791	0.9
174.09152	3.2
175.07281	4.2
175.08815	5.9
176.07060	8.4
176.09390	1.8
178.08559	1.0
181.04985	0.8
185.07126	1.4
185.10635	0.7
186.05557	1.6
186.09128	1.5
189.06624	0.7
189.10211	3.0
190.08574	2.4
191.11926	0.6
196.07564	1.4
198.07574	1.6
198.09213	1.2
199.08704	7.6
200.07042	5.0
201.10234	0.8
202.08650	2.8
203.08246	18.4
204.06631	1.5
204.08675	0.8
205.09676	1.1
207.11417	1.2
211.97171	0.8
213.06636	0.9
213.10225	5.4
214.08627	2.5
215.07999	0.7
216.10213	1.6
217.06212	1.3
217.09755	16.2
218.08133	2.0
219.11151	1.0
221.07903	0.8
223.08513	0.8
224.07074	2.2
226.08649	0.7
227.08144	15.4
228.06506	2.7
228.08687	1.8
229.09653	1.7
231.07697	1.4
231.11189	1.5
235.10741	3.8
241.09706	9.1
242.08144	4.0
242.10121	0.8
244.09750	1.1
245.09233	49.3
246.07503	1.9
246.09676	1.3
247.10724	2.9
250.07072	1.0
259.10748	12.4
263.10257	29.6
269.09094	5.0
270.07672	1.2
271.10834	1.0
273.08728	4.4
277.11798	1.5
287.10260	19.5
288.10678	1.0
289.11887	3.2
291.09769	6.8
297.08682	1.6
305.11298	87.2
306.11627	4.0
309.10883	0.8
315.09628	3.7
323.12350	34.4
324.12683	0.9
333.10782	18.1
334.11151	1.3
347.12250	1.3
365.13409	100.0
366.13824	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	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
63.35550	0.8
64.45266	0.8
67.05494	0.9
69.03424	2.8
69.04655	0.9
69.99310	3.8
81.03408	2.4
85.02886	1.1
85.34242	1.0
91.05461	1.9
93.07034	1.9
94.06549	1.0
95.04948	1.6
96.04498	1.3
105.07010	2.6
107.08583	1.0
120.04418	1.2
120.08109	0.8
122.06003	1.0
123.04387	1.9
124.03919	1.3
129.07022	1.8
131.08575	1.4
133.10126	1.1
135.11630	1.2
138.05499	1.7
140.07050	2.1
143.04881	2.2
148.03902	1.1
148.07545	4.8
151.11130	1.2
155.08469	1.1
161.07130	0.9
165.17145	1.0
166.04950	5.0
168.06554	1.6
171.09247	1.2
172.07544	2.9
174.09137	2.8
175.07396	2.0
175.08757	5.7
175.11226	1.8
176.07057	8.8
185.07156	1.6
186.05499	1.4
186.09215	1.2
189.10225	2.9
190.08662	2.5
196.07608	1.7
198.09204	1.3
199.08698	7.8
200.07037	4.2
202.08661	2.9
203.08217	17.8
204.06549	1.5
213.10199	5.4
214.08669	3.3
216.10191	1.6
217.09781	14.6
218.08092	2.3
218.47130	1.0
224.07045	1.6
226.08633	1.2
227.08136	14.9
228.06581	2.3
228.08711	1.1
229.09612	1.2
231.11200	1.8
235.10777	4.0
241.09750	7.5
242.08070	5.6
243.13646	1.4
245.09216	43.1
247.10747	1.8
259.10712	10.4
261.14682	2.1
263.10248	24.9
269.09155	4.9
272.09161	0.9
273.08652	4.1
277.11880	1.5
285.97891	0.9
287.10205	23.5
288.10690	1.1
289.11652	1.7
291.09677	6.5
297.08667	1.1
305.11292	90.2
306.11639	3.5
315.09741	3.6
323.12308	26.4
324.12643	1.7
333.10748	18.3
347.11966	1.5
365.13373	100.0
366.13977	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	365.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52041	0.4
56.11476	0.4
70.06596	0.8
71.51497	0.6
81.03397	1.6
82.03717	0.4
85.02885	1.0
95.04981	0.4
97.02855	0.5
98.97551	0.5
130.06535	0.7
132.15099	0.4
134.99689	0.5
144.21762	0.4
145.06476	0.9
169.63989	0.5
185.04262	0.5
203.05328	1.5
347.12213	0.9
365.12051	100.0
366.12619	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	365.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
56.96556	7.5
57.03418	1.2
58.99858	1.2
61.02911	1.6
67.05498	1.0
69.03434	4.9
69.93154	4.7
71.04967	1.4
73.02899	1.7
81.03404	3.1
83.05001	1.8
84.96014	1.8
85.02907	6.4
85.06532	3.8
86.03185	0.9
86.17612	0.9
87.04453	1.0
88.99155	1.2
97.02885	5.1
98.97578	13.0
99.01778	0.8
101.00880	4.2
109.02850	2.3
110.97564	2.8
111.03115	0.9
111.04378	0.9
112.99140	1.4
113.00864	2.9
115.02405	2.8
116.98619	6.5
117.04047	1.1
119.01919	10.2
121.03442	1.1
124.95518	1.0
127.03916	3.2
128.98621	4.3
129.03941	1.3
130.06587	1.0
131.00145	1.6
131.01889	12.3
131.05545	9.2
133.01701	1.2
133.03462	8.5
134.99663	1.7
135.05017	1.4
137.00945	0.9
137.02884	1.1
138.05534	1.6
142.96521	1.0
143.00148	2.1
143.01897	5.1
143.05533	2.8
145.03477	8.2
145.04642	1.1
145.04860	0.9
146.99646	3.0
147.01419	1.2
147.04965	2.4
149.01147	1.7
149.02969	1.6
149.06595	15.1
151.04616	1.0
152.06940	1.3
155.01863	7.7
156.02705	1.8
157.03441	4.4
158.99644	2.2
159.05040	5.5
160.97478	1.0
161.01199	3.4
161.02959	6.6
161.05389	1.5
161.06602	14.8
163.04544	1.7
167.05534	1.6
167.59222	0.9
169.06979	1.4
170.96179	1.0
171.05092	4.1
172.70139	0.9
173.01454	1.3
173.02954	14.1
173.06589	13.4
174.03101	1.0
175.04492	3.4
177.00696	3.4
177.06020	2.0
179.07639	4.8
185.01378	0.9
185.02936	2.2
185.06567	16.1
187.04469	2.3
187.08159	3.5
188.96977	1.1
189.00693	3.6
189.06023	4.8
191.02289	1.1
191.07660	2.7
195.05177	1.3
197.02980	1.2
197.06598	5.8
199.08134	3.3
201.04272	0.9
201.06120	1.4
202.98581	1.1
203.02264	1.9
203.03970	3.8
203.05714	1.1
203.07622	28.0
204.07999	0.9
207.01767	1.0
209.06596	2.9
213.06104	1.2
215.07631	31.4
216.07713	2.1
217.00217	1.6
217.09232	4.4
218.09334	1.1
219.01782	3.8
219.07124	1.4
221.05025	24.7
221.06975	1.5
221.31142	0.8
222.05125	2.6
223.04800	1.9
227.07654	3.4
228.08482	1.0
229.09212	1.3
230.98105	2.3
231.03076	1.2
235.01361	1.2
235.04800	0.9
237.02861	6.7
239.07735	7.6
241.86476	1.0
245.05064	2.9
245.08713	3.7
247.06694	4.5
248.99191	1.1
257.08694	3.7
259.02405	1.5
261.08218	5.7
261.58325	1.3
262.08368	1.6
263.00748	2.3
269.08997	0.9
275.09854	8.3
277.03314	4.6
279.09238	11.0
280.09323	1.3
287.09708	6.7
295.06921	3.1
303.01346	5.4
304.01556	1.7
305.10803	100.0
306.11041	7.1
323.06290	1.3
323.11853	18.8
324.11911	1.1
333.05026	1.1
347.11978	1.5
365.07318	1.7
365.13303	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	365.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73038	0.8
55.01861	1.5
56.96558	1.6
57.03431	1.2
61.02930	1.3
68.05020	1.0
69.03434	4.6
70.06593	21.4
71.04998	1.2
73.02898	1.5
77.50584	0.9
78.62125	0.8
81.03410	2.7
83.04977	1.2
85.02913	5.0
86.06079	1.8
95.04896	1.0
96.26923	1.0
97.02901	3.6
98.97556	1.9
99.04462	1.6
109.02870	3.2
111.00804	1.9
112.07615	2.3
113.07127	25.9
115.08679	2.1
116.98615	2.1
125.02409	1.1
126.03121	3.0
127.03908	20.7
139.03891	1.6
140.04662	1.8
141.05457	2.7
141.06580	7.9
143.03383	1.0
145.04994	2.3
155.03392	22.0
158.08171	2.1
159.07652	4.2
169.04958	7.5
170.05750	100.0
170.99194	0.9
185.04265	5.7
203.05353	11.9
237.02879	1.5
267.09818	1.7
285.10831	17.0
303.11877	2.5
323.10178	1.2
365.10544	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93961	0.2
71.42090	0.5
75.54844	0.2
119.01940	0.4
131.01920	0.4
161.02937	0.5
173.02988	0.5
185.04222	25.4
195.72139	0.3
203.05260	55.1
204.05566	0.7
241.43297	0.3
244.07922	0.4
245.05032	1.3
263.06100	0.3
278.69086	0.3
365.10538	100.0
366.10864	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66696	3.2
55.01861	3.9
55.05499	5.3
59.04990	5.5
60.41985	3.4
66.04721	3.9
67.05505	8.3
68.27795	4.0
69.03428	8.8
69.07051	4.1
71.51490	3.4
71.73876	3.6
72.11455	4.0
72.91591	3.5
79.05505	10.1
81.03403	6.3
81.07052	32.2
83.05001	5.6
83.77580	3.2
85.02889	13.2
85.06516	3.5
89.25605	3.6
90.05568	4.8
91.05499	6.9
93.07032	21.0
95.04956	4.0
95.08595	18.2
97.02872	4.9
97.06510	5.6
100.30550	3.5
105.07038	8.9
107.08592	16.1
109.02898	7.6
121.10147	100.0
123.11712	19.4
125.05990	7.1
127.03919	5.8
129.07103	3.3
135.11763	4.5
137.05997	5.1
139.11177	15.7
142.08588	4.1
143.04927	12.2
149.09615	14.7
151.03932	3.4
157.00331	3.2
167.10667	44.7
175.07495	8.4
195.47433	3.4
202.10828	6.3
203.07056	8.1
274.26639	3.6
281.44189	3.8
281.98709	3.8
303.05045	3.7
328.25299	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66696	3.2
55.01861	3.9
55.05499	5.3
59.04990	5.5
60.41985	3.4
66.04721	3.9
67.05505	8.3
68.27795	4.0
69.03428	8.8
69.07051	4.1
71.51490	3.4
71.73876	3.6
72.11455	4.0
72.91591	3.5
79.05505	10.1
81.03403	6.3
81.07052	32.2
83.05001	5.6
83.77580	3.2
85.02889	13.2
85.06516	3.5
89.25605	3.6
90.05568	4.8
91.05499	6.9
93.07032	21.0
95.04956	4.0
95.08595	18.2
97.02872	4.9
97.06510	5.6
100.30550	3.5
105.07038	8.9
107.08592	16.1
109.02898	7.6
121.10147	100.0
123.11712	19.4
125.05990	7.1
127.03919	5.8
129.07103	3.3
135.11763	4.5
137.05997	5.1
139.11177	15.7
142.08588	4.1
143.04927	12.2
149.09615	14.7
151.03932	3.4
157.00331	3.2
167.10667	44.7
175.07495	8.4
195.47433	3.4
202.10828	6.3
203.07056	8.1
274.26639	3.6
281.44189	3.8
281.98709	3.8
303.05045	3.7
328.25299	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	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01874	20.6
57.03430	4.2
57.07065	9.0
59.04989	3.5
59.90635	2.5
67.05488	8.7
69.03418	21.3
69.07060	8.2
69.92631	14.1
70.02949	5.2
70.06578	12.7
71.04993	4.5
72.04521	27.2
73.02906	11.7
81.03411	29.8
81.07065	3.4
83.04971	8.5
84.52914	2.3
85.02898	28.2
85.06533	9.9
86.09682	4.0
87.08094	3.0
90.05550	75.0
95.04963	10.6
96.08152	3.2
97.02887	23.4
98.02402	17.3
99.04432	11.0
100.03982	5.3
103.07541	3.9
105.26837	2.3
109.02867	38.3
113.05992	6.4
113.07140	6.4
116.03452	29.3
124.07562	18.9
127.03907	35.5
131.07011	2.4
132.06543	4.9
136.58420	2.5
138.05423	3.3
139.03841	6.2
140.07022	2.7
141.06532	3.0
142.08601	15.7
145.04962	5.2
153.72617	2.5
155.03433	5.9
157.13414	2.4
158.99606	2.6
160.09656	7.0
166.08646	3.3
170.05734	27.0
174.11255	8.7
181.04890	2.9
184.09721	34.8
185.04204	6.1
198.07625	4.1
199.06052	16.7
199.07617	2.3
202.10719	100.0
203.05289	11.6
211.09651	10.1
216.08690	2.9
217.07021	20.0
220.11794	54.3
221.01201	2.9
234.09796	19.7
262.12936	11.8
270.29089	2.5
285.10910	4.2
300.02136	4.2
310.12897	5.0
328.13846	25.3
346.02890	7.8
346.14920	13.8
364.16199	17.4
365.02847	4.0
365.10666	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01849	0.8
56.96564	11.7
57.03431	1.8
60.06597	0.8
61.02931	2.2
69.03426	4.7
69.47598	7.0
70.06597	1.1
71.58321	0.9
73.02911	2.4
77.90031	0.8
79.01855	1.0
81.03420	3.4
81.07044	1.1
84.95995	1.4
85.02905	9.4
86.03557	1.9
91.05475	0.9
92.53310	0.8
93.06972	0.8
97.02894	4.4
98.39448	1.1
98.97578	100.0
101.00856	0.9
110.97554	2.2
116.98618	68.4
119.01940	2.5
119.04932	1.3
127.03935	2.2
128.98610	3.8
131.02002	1.0
131.04982	0.9
134.99655	33.7
135.04298	0.9
137.05948	2.0
139.03851	1.0
140.00186	2.8
143.00177	1.5
143.01900	1.0
146.99638	2.7
147.04329	1.5
149.01225	1.7
149.06009	1.1
153.00679	2.1
153.01830	7.0
157.03520	1.4
158.01244	1.4
158.99655	47.9
159.03233	1.3
160.07553	0.9
161.01268	1.7
161.02956	2.4
163.03911	2.7
167.07027	1.3
170.99588	1.0
175.04474	1.1
177.00708	78.7
189.00699	1.5
191.54005	1.1
195.01770	6.8
199.03996	1.0
200.02290	6.6
200.04033	1.3
201.00600	1.3
201.06120	1.2
203.04105	1.7
213.06163	0.9
219.01747	37.8
221.05025	2.1
227.03349	1.2
237.02789	7.9
243.05380	1.8
253.03864	1.1
255.03137	1.8
273.08173	2.4
278.11420	1.4
279.03702	1.3
299.01837	1.6
301.03299	2.5
303.01669	5.9
303.07422	17.8
321.08517	21.2
322.08899	1.1
345.02252	4.2
354.10547	1.2
363.08911	6.1
363.16330	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	363.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39376	0.8
55.01846	0.9
56.96555	0.9
60.04519	0.9
60.05633	2.6
69.03426	2.0
70.06583	1.0
73.02934	0.9
81.03410	0.8
83.05003	1.3
84.96059	0.9
85.02897	2.1
86.03558	6.9
93.07011	0.8
97.02863	1.9
98.97583	3.8
103.05495	0.8
109.02850	0.8
112.10737	0.8
115.05440	4.2
116.71912	0.8
116.98603	2.9
123.04424	1.1
127.03911	1.2
128.98613	1.1
129.17046	0.8
130.06592	1.2
131.04913	2.6
133.06450	1.3
143.04933	2.6
146.05992	1.2
153.01854	1.6
155.04868	1.6
158.99652	1.2
159.04398	2.7
160.07593	0.9
161.05952	1.3
163.03943	0.9
171.04385	9.0
177.00691	2.6
177.05508	1.8
181.02855	0.8
187.03868	7.2
189.05469	1.9
199.03911	11.8
205.04922	1.5
209.02351	2.1
211.03903	1.9
215.03398	9.9
216.11339	0.9
217.04971	3.5
219.01666	1.0
227.03413	11.7
229.04901	0.9
233.04456	2.1
237.02690	2.7
239.03484	1.7
243.02902	15.5
245.04453	4.4
255.02893	12.4
261.03876	2.5
271.02365	18.3
272.02686	1.1
273.03928	11.7
278.11298	6.3
283.02396	9.4
289.03381	6.5
299.01837	34.4
300.02258	1.0
300.08585	1.0
301.03421	32.2
303.07458	1.0
304.09167	2.0
317.02841	7.4
321.08557	3.4
327.01315	7.5
345.02383	100.0
346.02805	2.9
347.77081	1.0
363.10257	1.5
363.16400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01864	1.3
55.05508	1.3
57.03445	0.7
59.04994	0.5
60.04517	0.8
60.32499	0.5
61.02905	0.6
67.05523	2.7
68.28704	0.5
68.99779	0.8
69.03412	2.0
69.07034	0.9
70.06588	1.0
71.04980	2.3
71.50052	0.8
79.05494	1.0
81.03410	1.1
81.07035	2.0
81.44444	0.5
83.04967	1.3
85.02893	2.0
85.06526	1.1
91.05471	1.6
93.07018	1.9
95.04959	5.1
95.08582	2.3
97.02890	0.7
98.06067	0.5
99.04437	1.0
103.05458	1.7
105.07026	2.0
107.08588	1.4
109.02879	1.0
109.06504	1.8
109.10145	1.8
111.04403	0.7
111.08037	0.7
115.05466	3.9
119.08572	2.2
121.02869	1.3
121.10143	2.1
122.56742	0.5
123.04390	1.3
123.08067	1.5
125.09633	0.8
127.03928	1.0
127.05516	0.6
127.11140	0.6
129.06952	0.9
131.04921	3.0
131.08488	0.8
133.06465	1.0
133.10117	0.9
135.08076	1.1
137.05922	1.2
137.09602	2.8
139.11162	0.6
143.04886	2.3
145.04926	0.5
145.10173	0.6
147.04364	0.8
149.06104	0.5
149.09627	0.8
151.07451	0.5
153.03348	0.9
155.04913	1.3
155.10643	1.6
159.04434	3.2
161.05994	1.3
161.13341	0.9
165.09106	2.1
165.12650	0.7
166.07318	1.2
167.07021	2.2
171.04405	10.3
177.05531	1.2
179.08189	0.8
180.09012	1.2
181.02805	0.9
183.04396	0.7
183.08035	0.8
183.10112	1.6
184.08359	1.8
187.03940	5.8
189.05455	2.4
189.12805	1.2
190.07315	0.9
191.03392	0.8
196.08469	0.6
197.59346	0.6
199.03909	11.8
199.07664	0.6
200.12891	1.0
201.11255	1.3
201.13065	0.9
203.03348	0.8
205.04948	1.7
207.08092	2.7
207.13765	2.6
208.08415	8.1
209.02359	1.9
210.09799	0.6
211.03908	2.5
211.07487	0.7
212.07854	1.0
215.03383	10.2
217.04947	2.1
218.06866	1.6
222.06277	1.0
224.07980	1.3
225.01805	0.9
227.03392	10.2
229.04918	0.9
231.02939	0.9
233.04436	1.9
235.07495	2.0
236.07884	13.1
237.01878	1.6
238.09337	0.7
239.03349	1.4
239.06973	1.1
240.07285	3.7
243.02911	14.9
244.03351	0.7
245.04489	4.7
253.01390	0.9
253.08502	2.3
254.08978	11.6
255.02869	12.5
261.03812	2.7
264.07336	0.8
271.02380	15.4
271.11542	0.6
273.03943	10.9
282.08447	3.7
283.02368	9.2
289.03406	5.4
297.00198	0.7
299.01852	29.9
300.02267	1.7
300.09485	5.5
301.03418	30.9
302.03790	0.8
317.03018	6.5
317.12436	2.6
319.04498	0.8
327.01392	8.6
345.02405	100.0
346.02832	3.5
346.10025	1.0
363.12445	9.5
385.43097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.9
55.01865	7.8
55.05506	6.0
57.03419	6.6
60.04523	3.0
65.03923	5.4
67.05483	11.7
69.03406	10.3
69.07046	8.4
71.04958	6.6
71.50913	7.1
73.06536	3.2
79.05488	24.0
80.73473	3.3
81.03415	33.0
81.07050	24.7
81.97305	3.2
83.04973	5.0
83.08591	5.1
85.02911	9.6
85.06520	9.2
89.03558	3.1
91.05476	37.6
93.07036	29.4
93.41380	3.2
95.04940	20.0
95.08597	15.2
97.02890	5.0
97.06496	10.4
99.04435	4.4
103.05445	14.9
105.07030	31.9
105.99403	3.2
107.04951	46.4
107.08588	19.0
109.02879	73.8
109.06477	9.3
109.10127	15.5
111.04460	5.2
111.08062	4.1
115.05452	6.2
117.06966	9.9
119.04916	12.5
119.08558	13.2
121.02906	3.9
121.06494	34.9
121.10098	7.4
122.03649	3.9
123.04392	13.0
123.08038	6.4
123.11710	5.3
125.05963	8.0
125.09614	4.2
127.03941	7.0
128.06180	12.4
129.07005	27.3
131.04903	12.4
131.08585	17.0
133.02831	4.9
133.06467	10.7
133.10159	5.9
135.04391	4.9
135.08035	14.4
135.11632	6.3
137.05956	32.8
137.09634	6.0
139.07529	5.3
141.06940	3.7
145.06410	10.8
145.10129	7.5
146.07231	4.1
147.04405	9.4
147.08009	8.5
147.11655	6.8
148.05225	4.3
149.05930	10.9
151.03902	4.1
151.07553	21.9
153.05484	19.5
153.06628	3.3
157.06514	19.1
157.10040	5.9
159.08041	8.8
159.11617	7.2
161.05991	49.2
161.09567	10.1
163.07516	34.5
163.14746	3.6
164.04759	5.3
165.05598	3.6
165.06966	7.8
165.09114	12.3
166.06262	8.6
166.07629	4.1
167.07065	74.0
167.08463	6.2
171.11662	5.1
173.09587	5.7
174.06712	10.6
175.07506	14.0
175.11203	3.7
177.09108	11.5
179.06969	9.1
179.08470	6.5
180.07742	6.9
181.04993	6.1
181.06374	5.4
181.06747	5.5
181.08594	100.0
181.10197	5.5
182.07330	7.9
182.08832	4.5
183.08075	6.5
187.11116	5.5
189.09084	69.6
191.08592	4.3
193.06523	6.0
193.12286	4.5
194.07162	3.9
195.08038	9.0
197.09589	11.7
199.07506	6.5
199.11154	5.4
199.16946	4.5
207.08186	7.0
207.10136	16.0
210.06750	6.3
211.07503	4.8
215.10503	4.3
217.12256	7.1
221.06010	8.0
222.06781	4.7
223.07494	7.5
223.11160	6.8
225.08975	18.2
227.06970	3.9
229.12253	5.2
236.08022	3.9
239.10681	4.9
240.07962	7.2
241.08400	4.6
247.07489	4.3
251.07059	9.5
251.10699	9.9
253.08582	11.1
255.06613	4.8
255.10243	6.5
257.07813	4.8
257.11661	17.0
279.10251	5.0
283.09634	13.2
283.13260	9.1
285.11191	41.9
299.13004	5.0
301.03259	5.7
301.14487	4.4
311.12839	9.3
315.12140	18.8
317.13925	16.6
329.14090	5.4
331.15063	4.2
331.52600	3.2
343.11627	6.7
343.15283	9.8
361.16315	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
54.20671	1.8
55.01862	6.8
55.05508	3.7
60.08578	1.7
62.05932	2.0
62.38223	1.8
63.32737	1.8
67.05485	8.5
69.03407	10.0
69.07054	6.6
69.78619	6.6
69.79034	3.7
71.04965	2.6
79.05489	25.1
81.03415	37.1
81.07047	19.9
83.04971	6.8
85.02901	5.4
85.06557	2.6
88.06510	2.2
91.05478	41.1
93.07040	26.4
95.04948	17.2
95.08601	7.5
97.02898	3.0
97.06536	6.2
99.04446	6.4
103.05451	13.6
105.07035	23.8
107.04224	2.2
107.04948	41.6
107.08551	9.1
109.02869	88.4
109.06493	11.1
109.10143	2.7
111.04441	7.2
111.08033	2.5
115.05436	6.7
115.10731	2.1
117.03374	2.1
117.07016	11.7
118.04150	2.3
119.04931	9.3
119.08595	10.9
120.05753	2.9
121.06496	35.6
121.10130	6.1
122.03611	2.7
123.04426	14.6
123.08066	4.6
123.11691	2.4
124.05201	6.8
125.06004	6.0
127.03926	4.8
128.06247	10.5
129.06999	29.2
131.04913	11.2
131.08562	20.3
133.02841	4.5
133.06487	8.9
133.10129	5.4
135.04396	8.1
135.08017	12.0
137.05965	27.7
138.06770	5.2
139.07494	4.1
141.06967	2.3
142.07799	3.5
143.04935	2.6
143.08524	7.2
144.05708	3.1
145.06496	9.5
145.10077	9.1
146.07245	3.1
147.04419	7.2
147.08038	8.3
147.11668	8.9
148.05133	6.1
149.05974	9.2
149.09630	2.7
151.03903	5.2
151.07521	24.0
152.04724	4.8
152.06151	3.6
153.05447	19.0
153.06725	2.9
154.07639	2.7
155.07176	2.7
155.08560	5.7
157.06488	24.6
157.10146	3.5
158.07225	4.1
159.08043	10.7
159.11659	4.2
160.05118	2.3
161.05972	44.7
161.09630	15.6
161.13242	4.7
163.03883	2.8
163.07530	28.6
165.05591	3.9
165.06947	11.5
165.09064	11.9
165.12605	2.7
166.06248	11.8
166.07590	2.4
167.07043	82.8
167.08530	7.0
169.06389	2.9
169.10182	5.7
171.08023	5.2
171.11682	5.4
173.05952	2.8
173.09607	3.5
174.06766	13.4
175.07539	13.1
175.11211	6.5
177.09071	13.5
179.07014	8.4
179.08556	6.7
179.10674	2.2
180.07814	2.4
180.09331	2.1
181.04955	5.1
181.06532	8.6
181.08588	100.0
182.07256	9.1
182.08809	3.7
182.32489	1.7
183.08095	5.7
185.09596	2.4
187.07567	5.8
187.11163	3.8
189.09091	83.4
189.12714	7.0
190.07846	3.2
190.09489	2.8
191.07047	3.0
191.08600	5.1
191.10585	4.7
193.06488	5.4
193.08557	3.6
193.12315	2.6
194.07236	5.7
195.08061	12.8
197.06084	3.4
197.09628	16.4
199.07535	6.0
199.11218	3.8
201.09158	3.3
203.08780	2.5
203.10622	2.5
205.06541	2.7
207.06534	7.4
207.08218	3.5
207.10080	18.5
208.05164	1.8
208.08821	4.4
208.38895	2.4
209.06030	5.0
209.09691	2.4
210.06767	7.3
211.07553	5.8
211.11154	2.5
212.08191	4.1
213.09056	2.2
215.10674	6.7
216.49286	1.9
217.08659	2.5
217.12219	14.2
219.07991	6.5
219.09903	2.2
221.06021	5.6
221.09474	2.2
222.06750	6.0
223.07526	8.4
223.11099	2.6
224.08266	3.1
225.05449	2.2
225.09071	19.4
226.06259	2.2
227.06969	5.6
229.08636	2.8
229.12247	4.6
235.07532	4.8
236.08289	6.0
237.09132	5.3
238.06169	3.8
239.07050	4.4
239.10646	4.9
240.07755	6.3
241.08534	3.8
242.09406	3.1
247.07533	2.3
249.05351	2.2
251.06993	6.5
251.10555	5.8
253.08597	16.5
255.06570	4.5
255.10143	8.7
257.09018	3.4
257.11667	19.6
264.07822	2.6
265.12363	2.5
267.10208	5.2
268.07379	3.9
270.08832	4.7
279.10150	8.1
283.09665	15.8
283.13260	12.3
285.08081	4.2
285.11185	39.4
297.11194	4.6
297.14703	4.0
299.09268	4.7
299.12717	5.8
301.14407	4.7
302.11404	6.7
307.13132	3.0
311.12775	6.8
315.12338	19.6
315.15729	3.0
317.13776	24.6
318.14005	2.2
325.14377	6.5
329.13968	2.6
331.15378	3.8
343.15366	16.3
361.06308	2.8
361.12766	3.3
361.16537	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	361.0918
Annotation	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.72276	0.3
53.03891	0.6
55.01809	0.4
55.05471	0.4
67.05432	0.9
69.03345	0.9
69.06982	0.8
71.04890	0.6
71.51680	0.6
79.05404	1.0
81.03313	1.6
81.06955	1.6
91.05379	1.2
93.06937	1.2
95.04879	0.8
95.08500	1.3
95.09034	0.4
105.07009	1.9
107.04861	0.5
107.08472	0.7
109.02881	1.9
109.06400	0.5
109.10077	0.8
109.91293	0.4
111.04365	0.5
115.05334	0.5
117.06950	0.6
119.08455	1.6
121.06406	0.4
121.10043	1.0
121.70714	0.3
123.04282	1.0
125.02240	0.6
127.03799	0.5
129.06897	0.8
131.08475	0.6
133.10104	0.9
135.07965	0.5
135.11571	0.6
137.02342	20.1
137.03352	1.4
137.05832	0.4
143.08412	0.6
145.10046	0.6
147.11674	0.5
149.02231	0.6
151.03818	0.4
151.07399	0.5
153.01831	4.1
154.04877	0.9
157.10046	0.5
159.11563	0.8
161.05914	0.5
163.03741	0.6
167.06935	0.6
171.02840	0.7
171.04207	0.5
171.11549	0.4
173.05864	0.7
173.09541	0.5
173.13161	0.6
175.11099	0.5
176.04637	0.5
179.07080	0.5
181.01352	1.8
183.04382	0.4
185.13133	0.7
187.03806	1.2
189.09009	0.8
199.03845	0.7
199.14774	0.6
201.05322	1.1
201.16367	0.4
215.03406	2.3
227.03230	0.5
229.04944	3.3
233.15227	0.4
242.02040	0.7
246.01433	0.6
247.06001	2.2
252.13736	0.4
257.04465	2.9
258.05023	0.5
260.03152	0.8
271.02451	0.4
272.21796	0.4
273.03873	0.5
275.05548	2.4
285.03818	0.8
289.26062	0.4
300.84634	0.4
301.03387	3.1
302.04138	2.6
303.04984	13.9
304.05212	0.5
313.03299	0.5
317.06467	2.1
330.03680	1.7
331.04468	100.0
332.04840	4.9
345.06161	2.1
346.06830	9.7
361.09189	99.3
362.09433	4.5
372.49020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
50.01599	1.2
53.03941	4.0
55.01856	4.0
55.05502	3.4
57.40546	1.2
60.25395	1.1
65.03941	3.6
67.05492	4.0
68.26510	1.2
69.03414	3.7
69.07050	2.7
69.46175	8.1
71.04977	2.4
71.39970	1.2
71.54273	1.2
77.03905	1.5
78.04683	2.5
79.05488	20.5
81.03416	8.0
81.07059	6.6
83.04976	3.1
85.02885	1.2
85.06546	1.6
91.05475	31.9
93.07036	13.7
94.04166	1.5
95.04961	16.2
95.08592	2.7
97.06539	2.0
99.04438	1.7
103.05460	13.5
105.04486	1.4
105.07019	18.2
106.04157	1.3
107.04948	66.9
107.08575	4.8
108.05217	1.3
109.02859	17.0
109.06530	5.4
109.10112	1.6
110.03689	1.5
111.04465	5.8
111.08061	1.3
113.05991	1.6
115.05454	4.9
116.06226	1.4
117.07002	8.9
118.04139	1.6
119.04917	8.7
119.08599	7.1
120.05730	2.8
121.02863	1.5
121.06492	29.4
121.10148	2.8
122.03674	2.3
123.04428	9.3
123.08069	2.7
124.05221	5.9
125.05997	5.0
125.09620	2.2
127.03940	2.6
128.06224	11.2
129.06993	34.5
131.04948	13.3
131.08559	16.6
132.05724	1.3
133.02898	2.1
133.06467	7.1
133.10095	3.8
135.04427	4.6
135.08014	8.9
136.05219	1.8
137.05960	22.8
139.07558	2.4
140.04686	1.7
141.05478	1.1
141.06981	3.1
143.04932	2.1
143.08603	4.0
144.05730	2.2
145.06450	7.0
145.10143	2.4
146.03577	2.2
146.07253	3.8
147.04384	6.5
147.07993	3.5
147.11719	3.0
148.05205	4.6
149.02336	1.2
149.06010	9.3
149.09583	2.7
150.06741	2.3
151.03935	8.3
151.07515	22.3
152.04671	4.2
152.06250	2.0
153.05463	15.4
153.06970	4.4
155.07051	2.6
155.08563	3.4
156.05679	1.9
157.06479	24.8
157.10097	2.2
158.07253	2.6
159.04376	2.3
159.08064	6.8
159.11690	1.5
161.05974	42.0
161.09587	13.5
161.13228	1.6
162.06412	1.4
163.07535	23.1
165.05560	2.9
165.07008	10.1
165.09090	12.1
166.06242	12.2
166.07707	3.4
167.07043	76.8
167.08537	7.4
168.07390	3.5
169.06453	3.0
169.10121	2.5
171.08057	3.5
173.05992	3.3
173.09630	2.3
174.06747	14.6
175.07573	10.3
176.06244	1.4
177.05573	2.8
177.07027	3.4
177.09052	10.9
178.07803	3.2
179.07043	4.3
179.08560	5.6
179.10594	1.4
180.05655	1.5
180.09290	1.7
181.05055	2.5
181.06551	7.6
181.08582	100.0
182.07233	7.0
182.08762	2.4
183.08018	4.6
184.08888	2.6
185.09529	1.7
187.07529	3.3
187.11105	1.9
189.09085	79.2
189.16531	1.8
190.07845	2.7
190.09517	3.0
191.06996	2.6
191.08577	6.0
191.10664	4.4
193.06493	5.8
193.08559	2.0
193.10193	1.4
194.07259	7.9
195.08017	18.0
195.11731	2.0
196.08673	3.2
197.05977	5.1
197.09607	12.1
198.06746	1.4
199.07501	3.9
199.11282	1.9
201.09085	3.6
203.10512	1.3
205.06483	2.4
205.08444	1.4
205.10172	1.6
206.07281	2.2
207.08086	6.3
207.10191	16.7
208.05275	2.9
208.08867	6.4
209.05917	3.9
209.09570	3.2
210.06709	7.5
211.07541	7.8
211.11180	2.2
212.08211	3.9
213.09081	3.2
215.10640	2.8
217.08701	1.7
217.12230	2.4
218.07193	1.7
219.08028	7.6
219.10039	1.9
221.05943	7.1
221.09654	2.2
222.06747	5.6
222.10359	1.7
223.04079	1.6
223.07521	12.9
223.11095	5.6
224.08229	2.7
225.05672	2.2
225.09074	17.9
226.09598	2.7
227.06998	8.0
227.10649	2.7
229.08730	1.7
229.12177	4.5
233.09587	1.9
235.07567	5.5
236.04623	1.3
236.08344	5.4
237.05519	1.9
237.08987	6.4
238.06168	2.5
239.06970	7.9
239.10635	3.7
240.07741	6.6
241.08586	8.0
242.09375	5.0
247.07463	6.0
248.08395	2.2
249.05434	1.4
249.09047	1.5
250.06247	1.7
250.09810	1.8
251.07074	6.0
251.10698	10.2
252.07793	2.7
253.08604	17.3
254.09358	3.7
255.06581	6.4
255.10060	8.9
256.10968	1.6
257.08167	1.6
257.09006	2.0
257.11700	16.7
261.09119	1.9
264.07776	2.3
265.08655	4.2
267.06882	2.2
267.10196	4.7
268.07248	4.8
268.10831	1.5
269.07999	5.8
269.11636	2.6
270.08847	6.3
271.09744	2.7
271.13312	4.3
279.10095	9.1
280.10837	1.5
281.08054	3.1
283.09653	19.7
283.13269	13.6
284.10315	2.0
285.07776	3.0
285.11154	34.0
286.11731	2.9
287.09091	2.0
296.10394	5.2
297.11285	5.4
299.09152	5.4
299.12769	4.0
300.09967	2.0
301.10605	1.4
301.14331	4.1
302.11472	6.8
311.12708	11.0
313.10611	2.7
314.11349	1.7
315.12231	22.6
315.15659	2.5
316.12759	2.0
317.13803	21.4
319.15689	1.3
325.14392	2.5
328.12991	1.2
329.13858	7.5
330.14493	1.6
331.11890	1.7
331.15524	3.7
343.11597	2.0
343.15314	12.1
346.14294	1.3
361.07138	1.8
361.16299	34.2
361.19992	1.5
362.16562	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29015	4.8
53.03940	10.8
55.01868	12.7
55.05509	58.2
57.03423	9.9
59.04999	54.5
65.03923	6.7
67.05507	82.4
69.03420	18.8
69.07071	100.0
70.07428	5.1
71.04983	49.6
71.52817	6.9
71.54186	4.9
73.02912	7.2
78.03122	5.9
79.05491	62.3
81.03420	28.4
81.07050	65.8
83.04978	15.0
83.08622	34.5
85.02879	8.0
85.06538	14.0
91.05485	31.9
93.07050	40.9
95.04980	26.4
95.08585	28.9
97.06533	43.5
97.10168	56.2
99.04464	9.5
105.07022	29.5
107.04951	13.8
107.08611	41.3
109.02912	10.2
109.06497	15.2
109.10147	22.1
111.08083	6.9
115.07563	42.2
117.07052	18.7
119.08566	21.9
121.10167	17.4
125.09629	51.1
129.06964	6.5
131.08571	17.7
131.22581	5.3
133.10112	12.2
135.08061	12.6
137.05983	8.5
137.09662	7.2
145.10147	15.8
147.11662	16.1
149.09572	6.0
157.10205	10.5
159.07947	5.4
159.11737	13.9
163.11270	5.4
175.11211	6.5
177.12633	6.4
181.49684	5.7
189.11221	24.5
216.14629	5.2
223.13362	15.2
237.14885	7.1
273.18362	5.1
284.31064	5.2
325.19965	8.1
334.55240	5.2
343.06073	6.7
357.92087	5.9
360.15399	6.1
360.23694	12.4
361.06937	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	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30616	1.1
55.01863	1.8
57.03424	2.5
57.74332	1.3
60.04511	1.3
61.02911	2.8
69.03436	6.9
70.64436	2.7
71.05013	1.7
73.02901	3.8
78.91647	1.3
81.03386	2.4
84.04525	1.5
85.02906	17.9
86.09675	1.2
87.04444	1.2
90.94778	1.2
91.03984	1.1
91.05487	1.4
95.04907	1.5
95.08560	1.2
97.02879	6.6
98.97561	2.3
99.04465	2.4
103.03902	1.2
109.02899	1.9
111.04430	2.1
115.05420	1.4
116.98657	1.2
117.07021	31.9
121.02858	1.5
123.04449	1.9
127.03880	7.0
133.04961	3.8
135.04358	2.3
138.05453	2.0
139.03894	5.3
145.05008	4.9
145.06482	100.0
146.06775	2.0
147.04388	3.6
152.07137	1.4
155.06041	6.5
163.03891	2.0
163.07603	2.5
165.05432	1.6
167.03569	1.5
168.82693	1.0
179.05502	4.0
180.01129	2.5
180.06610	6.6
180.08046	1.3
181.04919	9.0
185.14693	1.0
191.07076	2.6
198.02237	1.4
198.07547	3.9
208.09691	6.7
234.06621	1.2
360.02524	1.6
360.13278	1.3
361.14417	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54357	3.8
55.01870	5.4
57.03439	12.0
69.03424	30.1
70.48923	7.7
70.49325	10.1
73.02914	5.8
74.54308	4.2
85.02905	100.0
89.16363	5.6
92.10374	4.5
97.02884	31.1
99.04448	6.6
101.02408	5.9
104.54999	4.7
109.31427	4.8
127.03909	78.2
145.04955	62.8
163.03853	6.2
163.06032	14.4
184.56050	4.3
328.68927	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	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
61.02911	1.9
69.03423	3.2
70.03905	5.7
73.02900	3.0
76.11626	1.4
77.48300	1.5
85.02909	11.4
91.05494	3.0
97.02907	4.7
98.97607	2.0
115.05444	3.3
117.07020	37.3
123.04409	2.1
127.03967	2.9
133.04980	4.2
139.03853	1.9
145.06483	100.0
146.06778	4.2
147.04411	3.2
147.08122	1.7
155.06075	4.5
163.03983	1.5
163.07581	2.1
165.05518	1.9
179.05643	2.0
181.04990	2.0
191.07011	3.7
208.09668	3.0
380.83664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30349	0.5
53.03939	0.5
54.28690	0.5
55.01869	1.0
57.03429	1.4
59.38536	0.6
60.04521	0.9
65.03931	0.6
67.05504	1.2
68.99792	1.4
69.03410	1.4
70.06593	2.9
70.34969	2.1
70.59885	0.5
71.04972	0.6
79.05467	1.9
81.03418	0.6
81.07054	2.5
82.07403	0.7
83.01339	1.0
83.04993	0.6
85.02904	0.5
91.05477	2.2
93.07032	1.4
95.04976	2.7
95.08591	1.8
101.16071	0.4
101.24776	0.4
105.03365	0.8
105.07027	2.1
107.04953	1.3
107.08578	1.3
109.02873	1.0
115.05436	0.9
117.07004	3.0
119.04924	2.4
121.06500	4.2
121.10109	1.7
122.10467	1.4
123.04427	21.2
124.07564	1.2
135.04413	2.2
135.08058	3.8
136.07564	2.2
137.05978	1.3
139.03880	0.7
140.11487	0.7
145.06490	3.0
147.04402	9.0
149.05994	3.0
151.03935	2.6
157.06462	0.7
161.06024	2.4
163.03891	1.7
163.07532	14.7
165.05478	4.4
167.07040	1.0
168.11038	0.7
168.87871	0.5
173.05977	6.1
175.07495	1.4
176.04634	1.0
179.07042	4.7
180.10159	0.6
185.05974	0.9
187.07590	0.9
188.07031	0.6
189.05435	0.5
190.08627	13.0
191.07025	64.7
192.07376	1.5
198.11295	1.6
203.07054	2.3
208.09676	100.0
209.10002	1.6
220.09657	2.3
221.07980	0.5
251.60362	0.5
325.10730	5.5
342.13129	2.5
343.11688	4.1
360.14359	24.8
361.14536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01867	4.9
57.03427	7.5
60.04516	6.7
61.02922	12.9
65.03942	2.3
67.05527	1.9
69.03434	25.2
69.07047	3.1
69.19001	19.2
70.06591	10.1
71.04987	5.5
72.08158	1.7
73.02895	3.2
79.05479	3.6
81.03413	14.4
81.07036	7.3
84.04514	2.3
85.02902	100.0
86.09702	13.9
87.04466	2.8
91.03941	5.9
91.05467	5.7
93.03378	4.7
93.07037	2.4
97.02885	36.0
99.04453	5.4
105.07023	2.8
107.04933	5.3
109.02859	8.9
111.04440	27.7
116.07037	10.5
119.04919	3.0
121.06490	3.0
121.10129	3.7
122.10451	4.0
123.04440	8.1
127.03912	23.9
131.08313	1.7
135.04414	37.6
135.08058	2.3
137.05942	4.1
139.03900	69.9
145.04956	33.2
145.06097	2.7
145.06554	1.8
147.04378	6.1
157.10034	2.0
163.03922	18.9
163.06105	3.6
163.07533	7.1
165.05460	5.1
167.07059	3.4
167.10614	2.2
168.10942	3.1
179.06998	3.1
180.06454	2.8
180.08635	8.7
180.10158	4.4
181.04945	86.8
190.08618	4.6
191.03351	1.9
191.07016	18.0
198.07675	2.2
198.11226	2.9
208.09662	28.6
220.97809	1.8
291.13361	4.3
342.22742	5.6
360.14114	6.0
360.23712	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	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05503	0.5
57.03421	1.7
60.04507	1.3
67.05510	0.7
67.71046	0.4
68.99779	1.8
69.03414	0.9
69.85875	0.8
69.86291	1.5
70.06596	2.5
72.08166	0.5
78.54787	0.4
79.05473	1.2
81.07035	2.2
82.07362	0.5
83.01340	1.1
83.04980	0.7
85.02904	1.0
86.09676	0.5
91.05466	2.0
93.07025	1.0
95.04967	2.0
95.08572	0.9
97.76350	0.4
105.07006	1.3
107.04923	1.3
107.08581	1.2
108.11241	0.4
109.02843	0.5
115.05465	0.8
117.06980	2.8
119.04925	1.9
120.08108	0.5
121.06489	4.2
121.10175	0.5
123.04420	18.7
124.07553	0.7
127.03986	0.6
132.10114	0.5
135.04422	2.2
135.08040	3.1
136.07591	2.7
137.05931	1.5
139.03874	0.5
145.06462	2.3
147.04393	6.7
149.05948	3.0
151.03894	1.7
157.06433	0.6
161.05981	1.7
163.03908	1.7
163.07538	14.4
165.05455	4.5
167.06990	0.8
173.05966	6.0
175.07550	1.3
179.07028	5.5
185.05978	0.7
190.08614	11.5
191.07019	56.3
192.07318	0.8
198.11215	1.1
203.06993	2.6
208.09673	100.0
209.09953	1.5
220.09700	1.8
221.95338	0.4
325.10727	4.4
342.13309	3.2
343.11765	3.0
360.14377	24.6
360.23804	0.9
361.14685	0.7
378.09543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41475	1.0
60.04519	2.0
62.05463	0.9
65.03951	1.1
67.05454	0.9
69.03425	2.1
69.37492	2.7
69.37920	4.9
77.43304	0.8
79.05497	1.7
84.04460	0.9
85.02890	4.1
91.05465	1.2
93.07063	1.2
95.04959	1.2
95.08620	1.5
97.02876	2.3
107.04944	0.9
107.08604	1.1
109.02858	1.1
118.25599	0.9
121.02869	3.3
123.83826	0.8
133.02843	3.3
135.04401	3.2
136.92868	0.8
144.87199	0.9
149.02335	100.0
150.02657	1.6
163.03896	72.0
164.04234	2.0
167.03340	1.6
180.08730	1.1
181.04956	35.1
181.06549	2.2
186.74495	1.0
188.12097	0.9
224.85023	1.0
342.22766	1.1
360.15579	1.1
374.50305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.279
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.01009	6.5
53.03942	16.2
55.01865	13.7
55.05503	37.9
56.44889	6.5
57.03429	7.8
57.07081	7.3
59.04989	7.5
60.22019	6.7
64.60641	7.0
65.03975	8.2
67.05510	40.0
69.03413	22.7
69.07070	95.5
71.04987	10.6
71.32024	14.9
72.65428	6.0
77.08732	6.5
79.05489	32.4
79.58932	5.5
81.03432	47.7
81.07050	97.2
83.04982	20.7
83.08617	18.9
85.02897	15.7
85.06553	17.4
91.05483	46.8
93.07048	67.0
95.04948	22.6
95.08598	72.0
97.02906	9.2
97.06535	19.2
97.10168	15.1
99.04481	7.9
103.05473	12.0
105.07027	56.2
107.04985	31.8
107.08595	50.2
107.09204	6.8
109.02874	100.0
109.06525	27.9
109.10155	52.5
111.04432	14.9
111.08111	13.9
111.11723	13.1
115.05450	8.1
117.07006	10.3
119.08586	49.4
121.02838	10.8
121.06493	18.1
121.10133	40.5
123.04444	35.2
123.08073	15.8
123.11729	43.3
125.09672	11.3
127.03910	15.1
128.06212	6.8
129.06993	15.0
131.04942	13.6
131.08542	37.9
133.10149	36.3
135.04442	13.5
135.08058	17.9
135.11687	21.0
137.06000	39.7
137.09572	11.1
137.13263	14.4
139.03889	32.3
139.07471	7.8
139.11232	10.9
141.07027	13.2
143.08543	23.0
145.06506	15.8
145.10172	42.0
147.04469	9.2
147.08061	13.2
147.11688	19.1
149.06004	7.5
149.09615	13.6
149.13239	22.3
151.07565	12.7
151.11224	13.1
155.08591	8.6
157.10121	14.0
159.08089	17.2
159.11688	26.0
161.05925	10.0
161.09613	22.0
161.13243	12.8
163.04099	6.8
163.07530	12.0
163.11205	11.2
165.12819	9.3
167.03416	8.8
167.07141	10.3
169.10097	9.2
171.11671	15.3
173.06004	9.1
173.09618	10.4
173.13315	15.3
175.07538	12.6
175.11310	8.7
175.14769	9.2
181.04985	8.8
185.09552	13.7
185.13261	12.3
187.07617	10.3
187.11166	9.2
187.14830	18.7
189.09015	13.0
190.09898	9.9
191.10643	8.5
197.06004	9.9
197.13322	7.8
199.11279	6.7
203.14415	9.8
207.06497	6.8
212.95468	6.2
215.10834	8.7
215.14362	19.8
215.97737	7.4
228.06177	7.8
249.09012	8.6
253.12242	8.1
257.04169	8.6
287.09540	7.4
297.27820	8.0
299.12720	8.1
305.24710	38.6
313.10681	16.6
313.14261	14.4
323.25793	12.4
327.12265	7.1
331.05795	9.7
341.13849	70.5
341.17468	12.8
341.20996	16.0
342.14072	10.4
344.05167	11.1
359.05063	46.2
359.11111	16.8
359.14810	22.7
359.18582	36.4
359.22040	9.4
359.25708	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01860	4.3
55.93908	2.3
57.27741	1.8
61.02929	2.7
65.40555	2.0
67.05494	5.0
69.03422	14.8
69.07049	2.5
70.80397	6.4
71.04992	3.0
73.02897	2.6
78.03442	4.1
81.03391	5.9
81.07041	8.4
82.03738	2.3
83.04977	3.3
85.02442	3.3
85.02908	42.3
85.06512	2.5
91.05462	7.8
93.07028	9.0
95.04950	5.3
95.08598	3.7
97.02884	10.2
98.21015	2.2
99.04416	3.0
105.07042	13.3
106.02914	17.3
106.08519	2.1
107.03236	8.2
107.08595	27.6
109.02847	6.2
109.06509	3.7
109.10143	3.2
119.08549	8.0
121.02859	4.3
121.06504	5.9
121.10133	5.2
123.04458	4.4
123.11680	3.0
124.03945	20.3
125.04273	9.3
127.03915	6.9
133.10136	29.8
135.11685	22.8
137.05981	4.5
137.09636	2.6
145.04947	5.8
147.04445	2.3
151.03906	3.9
151.11215	3.4
161.09618	12.4
173.02695	2.2
179.10664	44.3
197.11713	100.0
199.11385	2.2
228.33624	2.4
233.06320	3.0
251.07388	2.3
260.23163	2.0
268.08011	3.2
269.08380	12.7
311.67078	2.2
356.55859	2.1
359.16968	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29473	1.7
54.06412	1.4
55.01863	1.3
57.03431	1.6
61.02912	1.5
67.05511	1.8
69.03419	8.6
70.87823	3.6
71.04977	1.5
79.05473	1.8
81.03432	3.5
81.07058	2.9
85.02906	34.1
91.05482	5.5
93.07037	10.0
95.04980	3.5
95.08606	2.7
97.02890	9.1
99.04440	1.8
105.07039	7.8
106.02921	4.1
107.03280	1.7
107.08590	20.8
109.02851	3.6
109.06475	3.1
109.10153	2.9
119.08605	4.5
121.06545	2.0
121.10141	2.0
123.08103	1.4
123.11700	2.5
124.03992	3.9
125.04326	2.6
127.03925	7.2
133.10118	24.4
135.11690	19.9
145.05005	5.0
150.86198	1.6
151.11162	1.7
161.09633	10.5
179.10667	40.9
197.11725	100.0
198.12122	4.7
215.29054	1.5
224.15825	1.7
242.51794	1.7
269.08438	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
56.45835	1.3
56.66037	1.2
61.02914	2.2
69.03439	2.1
70.55214	4.4
79.05455	1.8
81.07065	3.3
85.02913	9.0
91.05447	3.5
93.07028	5.5
95.08617	2.9
97.02889	3.4
105.07019	7.7
107.08591	35.3
107.09318	2.3
108.08959	1.5
109.06507	1.8
109.10158	3.0
119.08559	4.5
121.10124	7.3
127.03946	2.8
131.08598	1.4
133.10126	19.9
134.14575	1.3
137.05934	3.0
137.09576	1.3
139.07619	1.7
145.04984	1.5
149.09627	5.2
151.11159	8.4
154.90536	1.5
161.09605	5.8
167.10675	12.8
167.49156	1.3
179.10669	13.7
197.11729	100.0
198.12125	3.5
225.43353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
51.28002	1.1
55.01855	2.7
56.63823	1.1
65.03924	5.4
67.05495	1.7
69.07042	1.4
70.71179	4.1
78.71180	1.3
79.05477	2.6
81.03373	1.5
81.07034	2.1
82.04187	1.9
83.08602	1.8
84.63158	1.1
85.02902	2.4
91.05449	2.8
93.07027	2.6
95.04948	2.9
95.08598	2.7
97.06512	2.7
97.69589	1.3
105.07037	2.0
107.04928	4.4
107.08614	2.2
109.02888	1.6
109.10151	1.9
110.03641	4.5
111.04438	4.7
115.05489	1.9
116.06252	1.6
118.00494	1.4
119.08488	1.9
121.02868	13.0
121.03678	1.7
121.04031	0.9
121.06492	3.0
121.10110	2.1
123.04384	1.6
123.11758	1.9
125.05968	5.2
129.07002	2.0
133.10193	1.7
135.08060	4.5
137.05940	1.4
142.02538	1.5
144.05663	3.0
145.06488	4.0
147.08076	2.4
149.02292	3.3
151.03871	1.6
152.06165	2.4
153.05440	5.3
153.06920	2.0
159.08052	7.3
161.05980	2.8
161.09621	4.6
162.06726	1.9
163.11154	1.3
165.06996	3.7
166.07722	1.6
167.07060	5.4
167.08543	3.0
169.06543	1.9
171.06601	2.7
171.08000	1.6
172.98891	1.4
175.07585	1.3
177.16397	3.9
178.07782	3.6
179.08531	3.8
181.04950	25.1
181.06500	5.7
182.05507	1.4
182.07237	3.0
183.08014	2.3
191.08635	2.1
194.07230	3.7
195.08051	11.2
196.08704	1.6
197.05983	6.0
197.09566	2.3
199.07367	2.4
202.07710	2.1
203.08601	2.0
205.06458	3.1
206.07243	4.0
207.08057	5.1
208.08746	1.8
209.06023	3.0
209.09619	4.1
210.06740	8.8
210.10324	2.2
211.07529	9.9
212.08353	6.6
213.08919	1.6
219.08014	3.1
220.08855	2.8
221.06038	1.7
221.09607	12.6
221.18913	1.8
222.06818	2.8
222.10411	3.3
223.07501	14.1
223.11017	1.5
224.08350	4.8
225.05478	2.3
225.09076	7.5
227.07150	6.3
227.10631	3.5
234.06781	3.3
235.07518	4.3
236.08313	1.4
237.05533	1.5
237.09023	9.9
238.06206	4.8
238.09903	8.7
239.07019	5.5
239.10638	2.3
240.07802	17.3
241.08549	5.0
242.05757	2.7
243.10046	1.7
248.08340	1.4
249.09029	7.4
249.11278	1.3
250.09843	3.2
251.07057	8.0
251.10707	1.8
252.07829	9.4
253.08591	37.1
253.12227	13.8
254.09242	4.2
255.06564	10.1
255.10103	9.7
257.08066	10.9
265.08633	8.6
266.09427	7.8
267.06714	3.0
267.10132	9.5
268.07220	6.7
269.08112	15.0
270.08820	4.8
271.13406	1.5
277.08395	1.7
281.08459	10.5
281.11273	10.4
282.08908	2.4
283.06088	4.1
283.09634	18.4
284.10330	5.8
285.07568	4.6
293.08240	1.7
295.09595	3.0
297.07574	7.6
297.10971	2.8
298.08368	13.0
298.11929	3.6
299.12756	10.8
300.09921	22.0
309.11166	9.9
310.12051	3.2
311.12704	1.6
313.10678	98.6
313.14340	63.1
314.11038	3.4
314.14575	2.4
326.11392	7.7
327.12262	57.6
328.12921	3.5
331.15433	27.3
341.13840	52.9
342.14316	1.7
359.14856	100.0
360.15314	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	359.1484
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01854	2.6
65.03922	6.6
67.05498	1.9
69.03397	1.4
69.80479	7.0
79.05475	2.0
82.04148	1.5
85.02897	1.8
91.05491	2.2
93.03420	1.8
95.04970	1.6
97.06512	2.4
98.21406	2.9
107.04953	5.3
109.40646	1.3
109.72606	1.4
110.03632	4.3
111.04440	3.5
115.05445	2.2
121.02856	15.0
121.06491	2.9
121.25721	1.5
122.09792	1.3
125.05983	6.0
126.21346	1.3
127.14080	1.4
131.08606	1.9
135.08049	3.7
137.05991	2.2
138.03065	1.3
144.05656	4.4
145.06458	2.0
147.08044	1.8
149.02313	4.8
151.03908	2.8
152.06197	1.9
153.05466	6.4
153.06706	1.3
159.08023	7.1
161.05956	2.7
161.09637	4.4
165.06955	6.3
166.07771	3.0
167.07045	7.0
167.08459	3.5
169.06427	2.9
171.06514	2.8
178.07785	4.5
179.08548	3.0
181.04947	29.8
181.06474	6.1
182.07275	5.5
183.08022	4.5
184.08885	2.3
191.08531	2.6
193.10077	1.5
194.07231	7.1
195.08064	14.7
196.05336	1.6
197.06001	8.4
197.09622	2.2
198.06805	2.5
199.07492	2.6
201.27324	1.4
205.06432	2.4
206.07245	7.1
207.08003	5.3
208.08885	1.7
209.05988	6.1
209.09621	4.2
210.06750	10.6
211.07545	9.5
212.08333	5.6
213.09126	2.0
220.08751	1.9
221.06007	2.2
221.09570	13.0
222.06781	4.6
222.10379	5.0
223.07539	14.4
223.10963	2.2
224.08350	5.3
225.05499	3.5
225.09041	8.4
226.06241	1.7
226.09988	1.6
227.07010	10.7
227.10605	3.8
234.06686	3.2
235.07518	4.8
236.08339	2.0
237.05385	1.9
237.09093	11.4
238.06305	7.2
238.09935	14.9
239.06979	10.8
239.10712	4.3
240.07784	22.1
241.05092	1.4
241.08534	5.3
242.05774	3.6
247.07512	1.8
248.08293	1.7
249.09038	8.2
250.06137	2.1
250.09915	4.2
251.07068	8.2
251.10501	2.5
252.07808	10.0
253.08594	41.0
253.12227	14.0
254.05629	1.9
254.09264	7.2
255.06451	11.2
255.10089	10.5
256.07269	2.2
257.08069	9.0
265.08591	8.7
266.09366	10.3
267.06631	2.6
267.10193	9.1
268.07346	9.5
269.08072	19.7
270.08853	4.5
271.13181	1.5
277.08701	3.6
279.10080	1.8
280.07111	1.8
280.10559	1.8
281.08087	12.8
281.11694	13.5
282.08829	2.1
283.06021	6.0
283.09647	20.2
284.10272	6.2
285.07526	3.9
285.11053	2.6
294.08881	1.7
295.09756	2.5
297.07593	8.4
297.10880	3.3
298.08371	12.5
298.12082	4.2
299.12729	15.1
300.09900	24.1
301.10532	1.9
309.11047	7.6
310.11957	4.2
311.09329	2.2
313.10681	100.0
313.14346	64.1
314.11029	3.5
325.10800	3.0
326.11453	9.3
327.12219	65.7
328.12958	4.6
331.15359	22.5
341.13834	54.5
341.18042	2.8
359.14859	92.3
360.15179	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	359.1121
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.01863	0.5
68.87724	0.4
69.42033	0.9
69.42446	2.9
81.07059	0.7
91.05473	1.5
93.07032	0.9
95.08616	1.4
97.51161	0.4
98.20808	0.9
103.04687	0.3
103.05423	0.9
105.07006	0.7
107.04924	1.1
107.08573	1.1
109.91170	0.4
117.07041	0.5
121.06504	0.9
121.10112	0.5
123.04492	0.4
137.05966	1.2
139.00273	0.5
145.10112	0.5
147.04407	0.5
149.05991	2.3
151.07535	2.8
153.05374	0.5
157.10107	0.5
162.06726	0.8
163.07539	0.7
164.08308	3.9
165.01859	1.1
165.05487	0.7
173.59370	0.5
181.01337	0.8
186.83746	0.4
217.58676	0.5
255.02995	0.5
255.06540	0.6
257.04568	0.7
269.01004	0.6
270.01413	0.4
271.06058	2.8
273.03860	0.9
282.05219	0.7
283.05984	1.6
285.03940	1.8
286.01089	1.7
286.04703	1.4
286.08298	0.5
298.04880	0.5
298.08426	1.0
299.02048	0.6
299.05481	10.5
299.08521	0.5
300.02829	0.7
300.06097	3.7
301.03366	1.7
301.07056	1.8
311.05365	2.8
313.03442	2.1
313.07028	1.0
314.04172	2.0
314.07858	1.5
315.05008	1.5
315.08560	18.5
316.09143	0.9
326.07880	1.6
327.04941	5.9
327.08685	3.8
328.05768	7.3
329.02841	2.7
329.06537	3.7
330.03629	0.6
330.07361	4.7
334.56708	0.4
341.17160	0.8
343.04791	1.3
343.08099	38.2
344.05136	3.0
344.08829	21.0
345.09433	0.8
359.07465	11.8
359.11273	100.0
360.07849	0.9
360.11658	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	359.1121
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
64.73956	0.6
67.24992	0.6
85.18499	0.6
117.55969	0.6
118.55251	0.6
121.06463	1.5
126.77615	0.8
135.04396	17.8
135.05432	1.0
137.02304	1.7
139.03900	1.4
144.76857	0.7
153.01773	3.0
161.06050	0.9
165.01782	0.7
173.94954	0.6
181.01312	1.6
189.56310	0.6
193.00952	0.6
213.05452	0.8
227.06963	1.5
245.08037	3.5
255.06509	1.3
258.05136	1.1
273.07556	1.9
283.05890	0.7
286.04739	1.3
299.05417	2.5
300.06235	2.4
301.07010	9.7
312.06680	0.6
314.04041	1.2
315.08606	1.9
328.05814	0.9
329.06522	96.2
330.02429	0.5
330.06946	1.9
343.08264	1.4
344.08859	8.7
359.11209	100.0
360.11591	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	359.1123
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.68059	0.2
59.74764	0.2
69.64382	1.3
69.64783	0.4
79.05470	0.3
80.68479	0.2
85.94244	0.2
87.58369	0.2
95.04941	0.5
105.03361	0.6
107.04965	0.6
120.85078	0.2
121.02863	1.9
123.04418	0.5
125.02353	0.3
133.02866	0.2
135.04405	0.4
138.06714	0.4
147.04346	0.3
149.02299	0.2
151.03909	0.7
153.05415	0.3
163.03938	0.3
165.05457	0.7
167.03389	3.0
176.04651	0.2
179.03374	1.2
196.31335	0.2
197.04443	0.6
199.07562	0.2
203.03259	0.3
211.07565	0.2
212.04561	0.3
213.05511	0.4
217.08603	0.4
227.07024	1.1
230.05739	0.5
240.04260	0.5
241.04819	0.4
242.98369	0.3
243.06413	1.3
245.08104	1.9
255.06483	2.5
256.03720	0.4
257.04449	0.9
257.08032	0.4
258.05222	5.5
259.05521	0.4
268.03696	0.3
269.04459	0.8
270.05069	0.4
271.06027	0.7
272.06821	1.2
273.07541	5.7
283.05994	5.3
284.03314	0.5
284.06479	0.6
285.04269	0.3
285.07544	2.3
286.04712	4.4
286.07758	0.4
287.05515	0.4
297.03955	1.5
297.07373	0.4
298.04672	1.8
298.08371	0.9
299.05444	4.1
299.08600	0.4
300.06320	1.4
301.07050	31.2
302.07385	1.6
311.05502	1.0
313.07004	2.2
314.04245	0.9
315.04910	0.6
315.08643	2.2
316.05661	0.3
316.09180	0.6
327.04944	0.6
327.08514	0.3
328.05765	2.4
329.06531	25.1
330.06912	1.9
343.08078	8.3
344.08878	55.4
345.09256	2.6
359.11227	100.0
360.11557	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	359.0757
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
70.18114	0.7
89.15424	0.2
91.25903	0.2
93.47973	0.2
115.05421	0.3
128.06197	0.2
139.05446	0.2
141.06966	0.2
145.06609	0.3
155.04926	0.9
157.06499	0.8
158.03601	0.2
161.05956	0.3
169.06516	0.4
171.04404	0.8
173.05946	0.5
175.04059	0.2
183.04384	1.0
185.06004	1.1
186.03110	0.4
187.03844	0.3
189.05498	0.4
197.05901	0.2
198.03130	0.5
199.03893	0.9
201.05478	1.2
202.02658	0.6
211.03897	0.8
213.01799	0.5
213.05446	2.3
214.02507	0.4
215.03429	0.3
217.04927	1.0
225.01898	0.2
226.02602	1.1
226.06261	0.4
227.03392	2.1
228.04062	0.3
229.04942	1.8
230.01994	0.9
231.02791	0.3
231.06480	0.5
239.03468	0.6
241.01306	2.3
241.04897	1.2
242.02065	0.7
242.05594	0.2
243.02896	0.6
244.03717	0.3
245.04446	1.9
246.04947	0.3
254.02023	0.5
255.02878	1.9
256.03625	0.6
257.04419	2.8
258.01596	0.8
259.02374	0.4
267.02863	0.7
269.00763	3.1
269.04132	0.3
270.01547	3.1
271.02374	1.4
271.06006	0.4
273.01129	0.2
273.03915	3.2
275.68491	0.2
281.67404	0.2
283.02283	1.6
284.03116	2.1
285.00610	0.3
285.03882	9.2
286.01053	8.1
286.03946	0.4
287.01740	0.9
287.05338	0.3
288.06293	0.3
296.03088	0.2
297.00357	1.4
298.01224	0.2
298.04779	0.3
299.01938	0.8
299.05511	3.0
300.02673	1.5
300.06244	1.7
301.03375	6.2
301.06747	0.3
303.04846	0.9
311.01883	0.7
312.02637	0.6
313.00363	0.3
313.03394	9.2
314.00458	0.6
314.04138	0.5
315.04935	2.8
315.08585	0.2
316.05557	0.4
326.04187	1.2
327.01382	0.3
327.04974	0.5
328.02341	0.8
328.05737	16.3
329.02884	15.7
329.05966	0.7
330.03452	1.3
343.00250	0.3
343.04443	5.0
343.08350	0.4
344.05237	27.5
345.05579	0.9
359.07574	100.0
360.07925	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	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05499	0.2
57.07074	6.7
58.06587	0.7
62.06078	0.4
69.07065	0.3
70.06590	12.2
71.08249	0.2
71.08629	3.3
74.06068	0.2
77.12941	0.2
81.07035	0.5
82.90017	0.2
83.08586	0.2
83.82420	0.2
85.10181	1.3
85.58482	0.2
86.06065	0.3
88.07628	15.8
89.07964	0.2
89.30233	0.2
91.05463	0.2
93.03365	0.2
93.07047	0.3
95.08588	0.4
97.06531	0.6
102.09180	3.9
103.05482	0.2
105.07030	0.2
106.08663	8.2
107.04877	0.2
107.08578	0.3
109.02905	0.2
109.06523	0.3
109.10178	0.2
121.06483	0.3
121.10139	0.2
135.04417	0.2
135.11665	0.3
140.87096	0.2
145.10089	0.2
149.13205	0.2
161.13216	0.2
163.20242	0.2
184.84998	0.2
190.34956	0.2
296.33221	0.2
300.42734	0.2
314.34235	0.9
329.02814	0.3
329.06412	1.4
340.35706	6.9
341.36224	0.3
344.05276	0.3
344.09024	0.3
358.36768	100.0
359.07510	1.1
359.11377	1.0
359.25848	0.2
359.37128	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	358.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	7.5
70.06577	5.6
70.18260	11.1
70.18671	6.7
71.04979	3.5
73.92869	3.1
85.02886	10.9
91.05455	6.3
93.07037	5.8
94.03426	3.2
98.20814	4.6
103.05455	6.6
105.06978	4.7
107.08568	5.3
115.05447	9.2
117.07008	58.0
121.10140	4.3
131.04927	40.7
133.06439	4.8
133.10138	6.3
135.11699	4.0
149.05981	88.4
161.05942	12.8
176.65906	3.3
179.07030	100.0
179.10596	7.9
196.07593	4.3
196.09669	8.5
197.11536	20.3
207.06488	8.6
221.17717	3.8
231.06256	3.8
235.62897	3.7
321.06180	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	357.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
53.03927	0.6
55.05497	0.6
57.03413	0.7
57.07064	0.3
65.03912	0.2
66.04715	0.4
67.05487	1.0
67.48269	0.2
69.07062	1.7
69.89378	1.0
77.03920	0.7
79.05488	3.6
81.07050	2.6
82.29778	0.2
83.08604	0.8
88.07639	0.3
91.05474	3.4
93.07036	2.2
94.04181	0.8
95.04955	0.6
95.08597	2.5
103.05434	0.3
105.03357	0.5
105.07023	2.5
107.04936	0.6
107.08581	1.4
108.05705	0.6
109.06510	10.1
109.10147	1.6
117.05482	1.0
117.06998	0.4
119.08577	4.6
121.06474	0.6
121.10172	1.3
123.11698	0.8
124.05196	0.5
131.08554	0.3
133.10182	1.0
135.04378	0.6
135.08047	0.3
135.11659	0.4
137.05966	9.3
137.13223	0.5
139.07536	1.6
143.08598	0.2
147.11696	2.3
149.06027	0.2
149.09566	0.2
149.13266	0.4
151.03931	0.2
151.07558	0.5
153.05447	0.4
155.07024	6.6
161.13252	0.5
163.07542	0.3
165.09129	0.2
167.07025	100.0
168.07353	1.0
175.07573	0.2
175.14754	0.2
177.16383	0.6
181.08594	1.5
189.09186	0.3
191.06993	0.8
193.08633	0.6
203.17934	2.9
205.08640	0.6
207.10240	0.3
209.11815	0.3
219.10248	0.3
231.10199	0.3
233.11722	2.0
273.14838	6.0
356.35095	0.3
357.24207	10.5
357.27844	0.5
357.35504	2.0
358.24603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	7.5
70.06577	5.6
70.18260	11.1
70.18671	6.7
71.04979	3.5
73.92869	3.1
85.02886	10.9
91.05455	6.3
93.07037	5.8
94.03426	3.2
98.20814	4.6
103.05455	6.6
105.06978	4.7
107.08568	5.3
115.05447	9.2
117.07008	58.0
121.10140	4.3
131.04927	40.7
133.06439	4.8
133.10138	6.3
135.11699	4.0
149.05981	88.4
161.05942	12.8
176.65906	3.3
179.07030	100.0
179.10596	7.9
196.07593	4.3
196.09669	8.5
197.11536	20.3
207.06488	8.6
221.17717	3.8
231.06256	3.8
235.62897	3.7
321.06180	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	358.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.03933	2.4
55.01872	0.8
55.05503	1.3
57.03432	1.0
62.16102	0.6
62.16422	0.6
66.37797	0.5
69.03089	0.9
69.03429	10.3
70.06582	1.2
71.04987	1.0
71.50905	0.9
72.11981	0.5
73.06545	1.1
78.03447	11.5
80.05015	1.7
81.03412	13.9
85.02905	12.1
86.09694	1.5
89.35813	0.6
91.05434	0.8
93.07034	0.7
95.04951	1.3
95.08582	0.7
96.04480	4.7
97.02893	4.3
99.04444	2.2
105.07030	0.8
106.02911	62.3
107.04962	1.0
107.08566	0.9
109.02874	8.3
116.07088	0.9
121.06516	1.1
124.03947	100.0
125.04270	1.1
127.03911	7.8
128.41351	0.5
133.10146	1.7
138.05501	0.9
145.02791	0.6
151.03911	0.7
166.05013	2.0
167.06892	0.5
177.05484	1.1
178.05817	2.4
179.10661	1.4
182.23135	0.5
190.04984	0.9
197.11728	1.7
232.06026	5.8
248.79266	0.7
250.07114	14.7
268.08154	34.3
269.08514	0.9
358.14850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
53.03927	0.6
55.05497	0.6
57.03413	0.7
57.07064	0.3
65.03912	0.2
66.04715	0.4
67.05487	1.0
67.48269	0.2
69.07062	1.7
69.89378	1.0
77.03920	0.7
79.05488	3.6
81.07050	2.6
82.29778	0.2
83.08604	0.8
88.07639	0.3
91.05474	3.4
93.07036	2.2
94.04181	0.8
95.04955	0.6
95.08597	2.5
103.05434	0.3
105.03357	0.5
105.07023	2.5
107.04936	0.6
107.08581	1.4
108.05705	0.6
109.06510	10.1
109.10147	1.6
117.05482	1.0
117.06998	0.4
119.08577	4.6
121.06474	0.6
121.10172	1.3
123.11698	0.8
124.05196	0.5
131.08554	0.3
133.10182	1.0
135.04378	0.6
135.08047	0.3
135.11659	0.4
137.05966	9.3
137.13223	0.5
139.07536	1.6
143.08598	0.2
147.11696	2.3
149.06027	0.2
149.09566	0.2
149.13266	0.4
151.03931	0.2
151.07558	0.5
153.05447	0.4
155.07024	6.6
161.13252	0.5
163.07542	0.3
165.09129	0.2
167.07025	100.0
168.07353	1.0
175.07573	0.2
175.14754	0.2
177.16383	0.6
181.08594	1.5
189.09186	0.3
191.06993	0.8
193.08633	0.6
203.17934	2.9
205.08640	0.6
207.10240	0.3
209.11815	0.3
219.10248	0.3
231.10199	0.3
233.11722	2.0
273.14838	6.0
356.35095	0.3
357.24207	10.5
357.27844	0.5
357.35504	2.0
358.24603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Juglanin A
Peak:m/z	Relative Intensity
50.01601	0.3
51.02384	0.6
53.03942	0.5
55.01863	0.8
55.05506	0.4
57.02490	0.2
63.02354	0.2
65.03926	1.2
66.04750	0.2
67.05494	0.6
68.99776	0.5
69.03422	0.2
69.07062	0.5
69.38362	0.5
69.38782	1.2
77.03936	0.5
78.04707	0.8
79.05489	1.9
81.03417	0.6
81.07039	1.3
83.04993	0.2
85.02927	0.2
91.05476	12.3
93.07048	1.0
94.04165	1.8
95.04971	2.0
95.08592	0.6
97.06532	0.5
99.08092	1.3
103.05463	23.2
104.05791	0.3
104.17671	0.2
105.03352	0.5
105.04528	0.3
105.07037	1.9
106.04185	0.4
107.04958	1.8
107.08569	0.7
109.02860	0.8
109.06521	0.7
109.10141	0.5
110.03663	0.3
111.04416	0.3
111.08090	0.2
115.05447	0.6
117.06994	1.0
119.04936	53.2
119.08563	0.6
120.05233	0.4
121.06498	100.0
122.03645	4.2
122.06774	1.2
123.04430	0.9
123.08044	0.4
125.05978	0.3
128.06256	0.4
129.06992	1.1
131.04924	24.5
133.06494	0.8
133.10072	0.2
135.04388	1.2
135.08038	3.5
137.05971	60.2
138.03137	1.2
138.06325	0.7
143.08505	0.3
145.06487	1.1
146.07271	0.4
147.04402	47.6
147.08044	2.0
147.11667	0.3
148.04796	0.4
149.05975	0.7
149.09622	0.3
150.06778	0.3
151.03920	0.4
151.07539	1.8
152.04654	0.4
153.05467	8.4
153.06755	0.5
155.08537	0.5
157.06474	0.7
158.07222	0.4
159.08011	0.7
161.05965	1.4
161.09625	0.7
162.03101	0.2
163.07535	19.2
164.04672	0.8
164.07893	0.3
165.05493	0.6
167.07036	2.7
168.05733	0.4
171.08081	0.8
173.05948	0.5
173.09647	0.5
174.06693	0.2
175.07549	1.0
175.11165	0.3
177.05487	1.2
177.09213	0.9
179.07025	43.6
180.07278	1.0
181.06483	0.3
183.08046	0.7
184.05173	0.9
184.08806	0.3
185.05945	0.3
185.09546	0.4
187.07503	0.5
189.09082	3.1
191.06966	0.5
191.08644	0.3
191.10699	0.6
193.08548	0.3
195.10123	0.4
196.05203	2.5
197.05995	1.1
198.06743	0.2
199.07532	0.6
199.11159	0.9
199.28612	0.2
201.05435	0.4
201.09137	0.4
205.08604	1.3
205.63225	0.2
207.08090	0.5
207.10130	3.7
211.07619	0.4
212.04683	2.0
212.08218	0.2
213.05452	3.6
215.07068	0.4
215.10614	1.1
217.12172	0.4
219.08138	0.3
222.06779	0.2
223.07739	0.3
223.09627	9.3
224.10068	0.2
225.09175	0.3
226.06204	0.3
227.07024	5.2
228.07674	0.6
229.04945	0.6
229.08543	0.3
231.10129	0.3
235.07480	0.7
237.09013	0.3
241.08540	0.8
243.06447	0.4
244.07320	1.0
247.07507	0.4
247.11270	0.3
249.08981	0.2
251.10678	0.2
253.08772	0.3
255.06528	0.4
256.07309	0.3
257.08170	0.3
259.09647	15.4
260.09970	0.2
265.08636	0.6
265.12341	0.2
267.10214	1.2
271.09656	0.6
275.10590	0.6
279.10211	0.5
279.13620	0.5
281.11444	0.3
283.09686	0.4
292.10715	0.3
293.11594	0.3
297.11163	0.6
307.09552	0.8
307.13223	2.8
308.13403	0.3
321.11053	0.4
321.42950	0.2
325.14362	1.3
327.12469	0.3
339.12201	0.3
339.15866	2.5
357.13171	0.4
357.16931	3.4
376.68414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03943	2.3
55.01848	1.3
55.05498	2.2
57.07045	1.4
58.27270	1.2
67.05489	4.7
68.20685	1.1
68.58387	1.0
69.03406	2.2
69.07050	4.8
71.04978	1.9
71.51106	1.7
79.05485	4.6
81.03394	4.2
81.07055	7.9
83.04968	1.4
85.06514	2.8
91.05456	13.9
93.07019	5.2
95.04952	4.2
95.08597	5.6
97.06510	2.6
103.05463	23.3
105.03417	1.0
105.07011	6.4
107.04951	3.7
107.08609	5.6
109.02875	6.0
109.06495	2.6
109.10138	5.8
115.05463	2.0
117.07005	3.0
119.04937	54.4
119.08563	6.4
121.06497	100.0
121.10136	3.2
122.03647	4.2
123.04413	4.3
123.11672	2.4
129.07008	1.1
131.04919	27.6
131.08539	2.4
132.05576	1.2
133.06503	1.9
133.10153	2.3
135.04372	2.4
135.08047	3.9
135.11688	2.5
137.05968	70.8
138.03110	1.6
143.04865	1.2
143.08548	2.4
145.02791	1.5
145.06429	1.6
145.10133	4.0
147.04404	49.0
147.08044	4.2
147.11682	3.4
148.04744	1.4
149.05939	1.7
149.09604	2.0
151.03874	2.3
151.07515	2.8
153.05484	8.8
153.06714	1.5
157.06525	1.7
159.08049	1.5
159.11678	2.7
161.05971	3.0
161.09583	3.2
161.13220	2.7
161.94511	1.1
163.03928	2.1
163.06186	1.4
163.07518	21.0
163.11188	1.4
165.05441	4.2
165.06825	1.8
165.12791	1.0
167.07027	4.2
173.09587	1.2
175.07504	2.8
177.05467	3.6
177.08994	1.4
179.07024	47.5
181.04718	1.1
181.06442	1.4
183.08067	1.3
183.11575	1.2
187.07532	1.6
187.11331	1.4
189.09030	3.6
196.05063	2.9
197.05980	2.6
199.07568	1.2
201.16475	1.2
203.06992	2.2
205.08566	6.3
207.08299	1.4
207.10193	2.9
210.06749	1.9
211.07623	1.7
213.05466	4.3
219.17311	2.0
223.07608	2.2
223.09592	9.2
225.09116	2.6
227.07022	8.5
235.07430	1.8
237.08984	2.0
238.05850	1.3
239.07132	1.9
241.08682	1.7
243.10167	1.2
253.08598	5.4
259.09628	16.1
263.07169	1.3
265.08621	2.6
267.10220	1.5
270.08905	3.9
279.09961	1.3
283.09619	2.0
295.09775	2.4
297.07855	1.4
297.11270	3.5
307.13019	2.4
325.10596	2.3
327.12082	1.5
329.13828	3.1
339.12122	2.1
339.15784	3.3
357.06345	3.4
357.08624	1.5
357.13226	24.5
357.17007	5.6
357.24246	1.9
358.13611	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	357.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69151	2.1
53.03929	5.4
53.79699	2.5
55.01869	5.7
55.05509	5.4
55.12246	1.9
61.01167	2.2
65.03934	3.0
67.05488	6.7
69.03417	3.7
69.07051	7.1
71.04962	2.7
71.51134	3.2
71.51498	3.2
79.05473	7.1
81.03395	7.8
81.07044	12.8
85.02909	3.1
86.62410	2.0
91.05463	31.0
93.07011	12.7
94.04211	2.1
95.04940	5.4
95.08599	12.7
97.06494	3.9
99.04426	2.6
103.05465	19.7
105.07028	17.8
105.95197	2.5
107.04950	9.7
107.08585	13.2
109.02869	16.3
109.06517	6.1
109.10151	7.8
115.05451	5.6
116.06183	2.7
117.03394	13.1
117.07020	9.5
119.04933	49.1
119.08590	11.5
121.06501	100.0
121.10123	9.9
122.03620	4.6
123.04432	10.1
123.08050	5.3
127.03973	2.9
128.06210	7.6
129.07039	3.3
131.04941	25.9
131.08528	6.2
133.06491	7.3
133.10081	3.9
135.04443	3.1
135.08064	5.8
135.11670	3.4
137.05965	72.9
137.06955	5.2
139.03882	7.8
143.04951	2.8
143.08582	7.1
144.70718	2.7
145.02844	35.3
145.06497	3.8
145.10161	5.4
147.04419	47.2
147.08029	4.3
149.05981	9.0
149.09595	7.6
151.03888	6.1
151.07523	5.5
153.05486	12.9
157.10199	3.6
159.08032	4.0
159.11681	4.9
161.05980	12.7
161.09518	2.8
163.07529	24.9
165.05455	5.9
165.06870	2.8
167.07062	39.9
171.08032	6.8
171.11687	3.3
173.09569	3.5
175.07574	7.5
177.05478	73.2
177.09088	40.1
179.07040	39.5
189.09059	6.1
191.10648	3.0
193.08578	16.1
196.05342	3.4
203.06981	2.8
203.10756	11.7
205.08621	9.8
207.10213	3.6
223.09660	9.8
227.07005	6.2
235.07683	4.3
247.07573	3.1
251.10857	2.8
253.08522	3.5
259.09579	16.1
265.08539	3.0
307.09537	2.8
311.13306	2.5
319.57208	2.8
325.10672	5.2
327.12283	3.2
329.08170	4.3
339.06415	3.4
339.12067	3.0
339.15778	2.9
357.07446	13.1
357.13272	13.9
357.16724	3.9
357.24344	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	357.1694
Annotation	Juglanin A
Peak:m/z	Relative Intensity
69.42864	3.0
69.43285	3.5
76.28910	0.7
78.48877	0.9
79.05489	0.9
91.05470	9.5
94.04181	1.7
95.04973	1.2
99.05892	0.8
99.49211	0.7
103.05462	20.0
105.07033	0.9
107.04945	1.4
119.04937	53.7
121.06498	100.0
122.03646	2.8
122.06808	1.0
123.04469	0.7
131.04927	24.7
135.04390	1.1
135.08046	3.4
137.05971	57.6
145.06404	0.8
147.04405	52.3
147.08078	1.4
148.04832	0.9
151.07597	1.9
153.05457	6.2
157.06482	0.9
159.07961	0.8
161.05994	0.8
163.07529	17.1
163.08820	1.3
167.07043	2.0
175.07614	0.9
177.05429	0.9
179.07019	44.1
184.05313	0.7
185.61867	0.6
188.14340	0.7
189.09140	2.8
196.05209	1.9
197.05919	1.1
199.07539	1.3
201.05402	0.8
205.08484	1.0
207.10207	3.3
212.04713	1.9
213.05452	2.9
223.09631	8.9
227.07037	5.8
259.09647	15.1
307.13275	1.8
325.14435	0.8
339.15720	1.1
357.17044	2.5
366.82788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03934	0.3
55.01862	0.8
55.05500	0.4
65.03928	0.5
66.04713	0.4
67.05502	1.3
69.03422	0.7
69.07063	0.2
69.81509	1.4
70.95043	0.3
71.04977	0.4
75.42281	0.2
77.60214	0.3
78.21563	0.2
79.05486	1.3
81.03407	0.9
81.07044	1.1
83.04942	0.3
85.02897	0.4
85.06557	0.3
91.05452	1.4
92.31853	0.2
93.03385	0.5
93.07046	1.1
94.04185	2.6
95.04962	1.0
95.08602	0.7
95.45506	0.3
97.02930	0.3
97.06554	0.3
98.20866	0.5
101.60487	0.3
103.05466	0.4
105.06997	0.9
107.04942	0.8
107.08575	0.7
108.02066	0.3
108.65615	0.3
109.02863	0.4
109.06547	0.9
109.10164	0.4
111.04412	1.2
111.08029	0.2
115.05445	1.6
116.04980	0.6
117.07003	1.2
119.08562	0.7
120.08102	0.2
121.06503	0.5
121.10144	1.0
122.03642	6.8
123.04389	0.6
123.08070	0.4
123.11695	0.3
125.06010	0.3
125.09602	0.3
129.06990	0.8
131.04933	0.6
131.08582	0.6
133.10114	1.2
134.48633	0.3
135.04420	0.9
135.11674	0.4
136.05321	0.2
136.07474	0.3
137.05966	100.0
137.97328	0.2
138.06297	2.6
139.03896	1.9
141.05438	0.7
143.04921	6.0
144.04428	1.1
145.02873	0.3
145.06464	0.8
145.10172	0.2
149.05949	0.2
149.08354	0.3
151.03899	21.1
151.05011	2.2
153.01802	0.3
153.05527	0.3
157.06566	0.5
159.11760	0.4
160.05165	0.3
161.05977	0.9
162.05495	0.4
165.05482	0.4
165.09232	0.3
167.07060	0.6
171.04385	0.4
172.03934	4.3
173.05957	0.3
175.07506	1.7
175.14848	0.4
177.05475	1.1
177.09113	0.5
179.05434	0.2
179.07036	0.3
181.04947	0.9
187.07526	0.5
189.09152	0.4
191.06961	0.3
195.01094	0.3
195.06488	0.9
197.11674	0.3
203.06985	3.1
203.08527	0.3
204.06526	7.0
205.06790	0.4
205.08554	2.5
215.07101	0.3
219.08160	0.4
233.08014	0.5
235.07693	0.4
236.08701	0.3
247.07481	0.3
249.05743	0.3
264.07678	0.4
267.09955	0.3
270.05215	0.3
279.06717	0.3
279.10007	0.7
287.09146	0.3
295.09540	0.4
297.07944	0.3
297.11279	0.7
306.08804	0.3
307.09726	0.8
309.11301	0.3
311.09436	0.3
311.12863	0.5
321.11139	1.0
325.10715	0.4
327.12228	11.7
328.12668	0.9
339.08502	0.3
339.12341	1.5
357.13315	19.4
358.13556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.96560	4.0
57.03446	2.2
60.04515	1.9
61.02916	3.0
69.03420	6.8
69.41640	3.4
69.42041	8.0
70.06590	2.4
73.02915	3.1
81.03416	2.8
83.01324	1.5
83.04990	2.3
85.02901	12.4
93.05814	1.6
97.02907	7.1
98.97598	9.2
101.02445	1.8
108.08125	19.9
109.02873	2.4
110.97559	2.2
116.98630	3.6
119.01907	3.2
122.06027	2.1
123.06793	3.0
124.07598	5.5
127.03912	2.6
128.98668	2.8
131.01883	1.7
132.08101	1.7
133.03481	2.0
134.06006	8.9
136.07581	21.6
138.05479	8.4
145.04982	1.7
147.06801	2.0
148.07568	13.3
150.05505	6.1
150.09129	2.5
152.07076	35.5
153.07851	14.2
154.08615	3.1
158.99655	2.0
160.07547	10.8
161.01134	1.6
161.03003	2.4
162.05522	3.6
163.06279	1.5
163.08690	1.7
164.07060	35.3
165.07877	13.3
166.08644	14.7
167.07042	1.8
171.01424	2.5
171.05052	2.1
173.02988	2.0
175.06244	2.2
176.07074	12.1
177.00824	2.4
177.10239	17.0
178.08638	12.6
178.84375	1.5
180.06560	39.3
180.08086	2.8
181.09750	5.5
182.07980	1.9
185.02995	1.9
188.07207	2.2
190.04958	1.9
190.08643	1.6
192.06554	27.5
193.07256	2.4
194.08119	58.2
195.08533	1.8
195.11331	7.3
196.09740	7.4
202.05128	1.7
204.06570	7.4
208.06099	5.2
209.06776	1.6
210.07611	1.9
212.09227	2.3
218.08076	2.6
219.01897	3.6
220.05988	9.0
221.05005	1.6
221.06804	7.9
221.09218	7.6
222.05426	2.6
222.07613	52.3
223.07991	1.4
231.07448	2.0
232.06119	4.2
237.02727	3.1
237.08673	1.9
240.08679	11.9
246.07559	1.8
247.02505	1.8
248.08913	1.9
250.07095	79.7
251.07472	3.0
257.00864	2.3
259.02365	2.7
264.08688	4.1
267.09747	3.0
268.08151	7.0
274.07098	4.3
275.01999	1.8
275.10303	2.6
276.08270	1.7
277.03354	9.3
282.09622	10.0
292.08173	5.8
294.09738	5.0
297.10837	9.2
300.10754	6.4
303.01392	12.7
303.09802	7.3
304.01675	2.9
310.09183	53.3
311.09549	2.8
314.12283	7.7
321.10712	5.6
322.09430	2.7
328.10275	33.9
339.11862	100.0
340.12418	2.4
357.12894	93.7
357.16669	26.2
358.15115	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	357.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54594	4.2
53.03942	6.8
55.01872	5.7
55.05506	13.6
57.07080	4.8
65.03941	5.7
65.50015	3.8
67.05499	28.0
69.03422	15.6
69.07067	42.3
71.04979	6.1
71.51151	7.8
79.05471	20.5
81.03413	17.7
81.07053	52.8
83.04961	9.1
83.08633	7.5
85.02882	5.3
85.06539	15.3
89.03954	4.3
91.05456	27.6
93.07043	32.3
95.04964	16.6
95.08599	35.7
97.02906	4.1
97.06525	10.8
97.10189	5.8
99.04436	4.6
99.08062	6.2
101.17210	4.2
105.07018	28.2
107.04967	12.3
107.08580	32.4
109.02874	26.2
109.06546	9.1
109.10159	47.7
111.08076	10.1
111.11715	10.4
115.05451	7.0
117.03381	17.8
117.06995	6.9
119.04939	11.5
119.08578	18.1
121.06498	13.8
121.10147	23.4
123.04404	29.2
123.08073	6.7
123.11714	14.6
125.09654	6.3
128.06233	4.3
129.07001	5.4
129.24020	4.4
131.04948	8.0
131.08611	11.4
133.06480	5.0
133.10155	18.4
135.04439	7.6
135.08057	10.2
135.11705	13.2
137.05969	79.8
137.09634	10.6
139.11127	4.5
141.07021	5.4
143.04887	5.3
143.08511	6.9
145.02852	49.6
145.06433	6.2
145.10156	13.8
147.04385	14.8
147.08038	10.6
147.11693	11.6
149.05963	11.6
149.09630	9.0
149.13277	7.4
151.03899	23.8
151.07533	12.8
151.11172	13.7
153.05472	9.1
153.12723	12.3
159.11714	10.7
160.05217	4.3
161.05940	7.9
161.09651	6.1
161.13255	5.3
163.03899	9.7
163.07487	7.9
163.11195	4.1
165.05453	6.7
165.07011	4.4
165.09152	7.1
165.12755	4.3
167.07092	6.0
169.10146	4.1
171.08060	5.2
173.06090	4.1
173.13333	6.5
175.03839	4.2
175.07529	9.3
177.05464	100.0
177.06737	3.6
177.09045	4.8
177.12808	4.5
178.05757	7.6
179.08630	3.6
179.10648	11.9
179.26797	3.8
181.06436	6.8
187.07558	4.2
187.14685	5.0
191.03368	5.9
191.08650	4.3
195.08035	4.2
199.07565	4.3
203.03397	6.5
203.06982	9.8
205.06689	5.1
205.08620	12.7
207.08061	7.4
211.07613	6.6
212.04361	4.2
217.08517	4.7
218.07266	5.8
219.08104	6.8
223.07515	6.2
225.09167	5.9
235.07478	8.8
240.07759	5.1
247.07481	6.4
253.08566	14.3
264.07632	4.8
268.07449	4.4
269.11655	4.3
282.09085	5.6
295.09711	7.7
296.10474	4.8
297.11206	10.2
303.23111	8.3
307.09540	7.2
321.24106	12.7
325.10742	4.9
327.12350	12.2
339.12280	5.8
357.06033	46.8
357.13242	58.2
357.17178	8.7
357.24307	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	357.1177
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01869	3.9
55.05488	3.1
66.83703	3.1
69.03430	16.4
70.64281	9.1
71.04971	5.6
78.03447	16.5
79.05479	4.7
81.03432	18.9
81.07042	6.1
85.02913	17.3
89.03916	7.1
91.05465	5.4
93.07021	6.6
95.04968	5.1
97.02897	4.7
99.04446	3.4
105.07040	3.8
106.02914	52.8
107.04967	4.9
107.08572	4.8
109.02868	10.9
109.06498	3.6
113.96954	2.6
117.03388	13.5
121.06487	4.3
121.10120	3.1
123.04453	4.6
124.03951	100.0
125.05997	2.9
127.03922	8.9
135.04388	3.7
135.08035	6.5
137.05925	13.9
139.03889	3.5
141.97096	3.0
145.02827	42.2
147.04422	3.3
148.93861	2.5
149.05962	8.8
149.09639	4.0
161.05959	5.0
166.04939	4.0
167.07069	4.6
174.80989	3.0
177.05469	85.2
179.58893	3.3
181.04944	6.1
185.50449	3.2
195.06461	4.9
195.10187	5.7
195.13771	2.7
196.57959	3.4
204.06651	4.3
221.06099	3.6
232.06070	6.7
250.06996	16.3
261.08957	3.0
268.08145	28.5
278.45154	3.4
295.09955	3.1
297.11536	3.9
325.10538	4.3
339.08755	4.6
339.12454	4.3
343.17542	2.9
357.14444	3.4
357.18686	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	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05509	9.8
57.07069	1.9
58.06585	0.7
60.04491	0.3
62.06074	0.4
67.05479	0.6
69.06688	0.4
69.07065	7.5
70.06586	12.5
70.22802	0.3
70.56936	1.0
71.08637	0.7
78.07553	0.3
83.08616	4.2
88.07624	17.0
92.99249	0.3
95.08563	0.4
97.10139	1.1
102.09176	4.3
106.08660	8.9
107.83173	0.3
113.29569	0.3
118.08595	0.4
119.08546	0.3
123.11539	0.3
187.53064	0.3
215.88724	0.3
218.29375	0.3
227.73875	0.3
312.32556	1.1
338.34116	5.9
356.35190	100.0
357.35522	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	356.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10515	0.2
53.03934	0.4
53.56734	0.2
53.83580	0.2
55.05510	10.1
57.07078	2.3
57.57607	0.2
58.06577	0.9
58.38832	0.2
62.06078	0.8
67.05499	0.6
68.05006	0.3
69.06690	0.3
69.07068	8.5
69.49536	2.1
70.06590	13.8
71.08610	0.8
73.45064	0.2
74.06083	0.2
79.05466	0.3
81.07043	0.9
83.08611	4.5
88.07626	17.3
91.05451	0.5
95.08598	1.0
97.10168	1.6
102.09175	4.3
103.07177	0.2
105.07101	0.4
106.08658	9.1
107.08582	0.8
109.10138	0.9
111.11716	0.3
118.08706	0.3
118.27014	0.3
119.08545	0.4
121.10139	0.6
130.21632	0.2
135.11658	0.4
151.11157	0.6
162.21515	0.2
169.60027	0.3
188.01721	0.3
191.14163	0.3
283.47647	0.2
312.32574	0.8
338.34131	5.1
356.35202	100.0
357.27826	1.1
357.35544	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03943	2.6
55.01868	5.0
55.05507	41.0
57.03434	11.2
57.07077	13.0
65.03944	2.7
67.05501	79.9
69.07066	50.6
69.82080	13.4
71.04967	3.2
71.08634	5.9
79.05490	27.0
81.03387	3.2
81.07055	100.0
81.07537	5.3
83.04974	4.3
83.08617	37.7
84.51757	2.2
85.06539	6.2
85.10158	2.4
88.39867	1.9
89.49486	2.1
91.05430	19.2
93.07037	31.9
95.04976	5.7
95.08605	79.4
97.06541	10.4
97.10174	23.9
98.21452	2.6
99.08080	3.1
104.59882	2.0
105.07039	18.2
107.08594	25.6
109.06494	2.7
109.10155	35.7
111.08073	4.7
111.11716	6.8
119.08562	16.3
121.10144	30.0
123.08059	2.4
123.11697	19.2
125.09593	3.4
129.05487	6.0
131.08594	3.7
133.10130	21.4
135.11662	16.9
137.05908	2.1
137.09630	2.8
137.13257	10.1
139.11234	2.9
147.11682	16.0
149.13261	13.8
151.14803	6.1
151.34666	2.0
153.12688	2.5
161.13246	16.3
163.14804	13.2
165.12756	2.6
165.16405	4.6
175.14810	10.9
179.14340	2.9
179.18016	4.4
181.15923	3.1
189.16377	3.7
193.15793	2.7
245.22633	38.5
263.23685	47.9
305.61005	2.8
337.27365	24.4
338.27896	2.2
355.28510	15.8
364.68112	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	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44543	3.8
53.03954	6.4
55.01877	6.1
57.03422	7.8
61.02918	4.2
62.43099	4.7
69.03413	40.3
73.02890	5.5
73.04742	10.5
73.06551	14.9
74.04697	4.4
81.03412	21.4
85.02899	100.0
87.00820	40.4
91.05795	63.8
97.02884	26.5
97.06530	6.2
99.04449	9.9
105.01857	72.4
109.02901	27.1
114.42578	4.7
117.07021	6.5
119.04932	4.6
127.03918	58.7
145.04999	25.8
153.01750	4.8
159.02878	4.6
163.03848	5.4
171.72435	4.8
195.02895	7.6
205.94537	4.4
207.01685	4.0
224.96245	4.2
231.04991	17.4
249.05965	6.1
268.97870	6.3
269.97815	9.3
286.01132	14.4
296.06262	8.2
356.07123	17.7
356.13510	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.71173	2.2
53.03931	3.8
55.01870	2.3
55.05506	40.9
57.03431	12.1
57.07079	11.2
60.61175	2.0
65.03925	2.3
67.05501	69.1
68.36829	2.0
69.07066	44.3
71.04968	2.6
71.08626	4.3
79.05485	28.4
81.07051	100.0
83.05003	2.5
83.08611	34.4
85.06544	3.6
85.10168	3.3
88.07635	3.4
91.05451	17.4
93.07040	31.3
95.04976	3.9
95.08602	78.8
97.06525	11.4
97.10163	21.1
98.21539	5.1
101.82648	2.2
103.04036	2.7
103.45891	2.2
105.07021	19.9
107.08582	29.2
109.10154	40.4
110.65417	1.9
111.08070	8.3
111.11732	6.4
111.47243	2.3
117.06981	3.1
119.08578	17.7
121.10139	34.0
121.22458	2.3
123.11692	16.3
125.09626	3.2
127.11271	2.9
129.05394	3.2
129.06967	2.8
131.08585	4.2
133.10127	20.0
135.11676	16.9
137.05914	2.3
137.13260	8.6
139.11166	2.4
145.10071	3.8
147.11684	12.2
149.13234	15.5
151.11211	3.2
151.14833	5.1
153.27864	2.1
161.13264	16.5
163.14812	13.3
165.12688	2.6
165.16376	7.3
175.14809	11.8
177.16316	3.7
179.14343	2.7
179.17928	5.5
185.13261	2.4
189.16328	7.2
193.15994	2.6
203.17963	2.7
242.87244	2.3
245.22652	53.5
263.23703	50.2
281.24478	2.5
337.27338	30.4
355.26035	2.1
355.28650	7.9
355.33905	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	355.2629
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
51.02387	0.6
53.03720	0.5
53.03926	2.5
55.01863	0.5
55.05510	8.1
57.07073	1.4
59.04978	0.5
65.03932	0.5
67.05138	0.6
67.05500	10.4
69.03417	0.4
69.07061	6.5
70.95999	0.7
70.96344	0.8
73.04782	0.6
77.03921	0.6
79.05486	18.5
81.03420	0.9
81.07052	19.8
82.07404	0.4
83.08616	3.8
85.06535	1.1
85.34945	0.5
91.05001	0.3
91.05460	22.8
93.07039	44.1
94.07366	0.7
95.04966	3.2
95.08602	23.4
96.08904	0.5
97.06510	0.6
97.10154	2.0
99.04451	0.5
99.08070	0.5
103.05482	2.3
105.03390	0.5
105.04560	0.5
105.07019	22.6
107.04948	1.1
107.08588	33.3
108.08898	0.7
109.06525	1.5
109.10148	26.8
110.10513	1.0
111.04409	0.8
111.08076	1.0
111.11687	0.7
115.05417	1.1
117.07011	6.4
118.07342	0.5
119.08575	100.0
120.08904	2.4
121.06491	5.0
121.10137	75.7
122.10435	2.9
123.04462	0.5
123.08078	1.5
123.11694	28.5
124.12075	1.1
125.05952	0.5
125.09693	0.4
128.06149	1.0
129.06190	0.5
129.06967	2.9
131.08565	7.8
132.99823	0.5
133.10115	19.9
135.11682	72.6
136.12027	2.3
137.05956	2.4
137.13257	2.8
139.07472	0.6
141.07043	0.4
142.07782	0.8
143.08545	3.8
145.10117	15.9
146.10297	0.5
147.11687	11.1
149.05890	0.6
149.13263	7.0
151.07509	1.2
153.09077	1.4
155.08638	1.0
157.10133	4.7
158.10770	0.6
159.08023	0.8
159.11685	8.1
161.09639	0.6
161.13240	7.3
163.07547	3.6
163.14816	5.9
165.09087	0.6
165.12788	0.5
169.10117	1.6
171.11681	3.9
172.12463	0.6
173.09567	0.6
173.13258	9.9
175.14816	8.0
177.05453	2.1
177.09108	0.9
177.16379	11.0
183.11687	2.2
184.07315	0.6
184.12439	0.5
185.13237	3.5
187.14807	15.6
188.15225	0.7
189.16374	22.0
190.16736	1.6
191.17953	3.9
193.08528	0.6
195.11720	0.6
195.41005	0.5
197.13235	1.4
198.13681	0.5
199.14830	3.7
201.16360	15.9
202.16714	0.9
203.10707	0.5
203.17909	3.6
205.15825	1.1
207.13808	0.5
207.17503	0.9
211.14827	1.7
213.16344	8.8
215.14291	3.5
215.17874	3.2
217.15913	1.0
219.13763	0.8
219.17467	1.1
225.16463	2.6
227.17818	2.4
229.19572	0.8
231.13792	0.6
233.15327	6.6
235.16914	2.6
239.17938	3.5
241.19466	1.1
245.15329	1.9
247.16925	1.8
253.19493	2.3
255.20988	0.8
259.16916	5.4
261.18640	0.5
267.21097	0.9
271.16977	2.3
273.18494	1.3
281.22604	2.2
285.18442	1.7
299.19955	1.3
309.25745	24.1
310.26144	2.5
311.27292	4.9
313.10648	1.4
313.21942	0.7
327.26691	1.2
337.25146	1.3
337.28897	1.4
355.26266	38.5
355.30017	3.7
356.26700	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	355.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01870	1.4
55.05511	7.1
57.03428	3.1
57.07067	1.9
61.02918	2.1
62.56625	0.6
67.05499	7.3
67.51115	0.7
69.03422	7.2
69.07071	6.5
69.63063	2.9
69.63489	2.2
70.06563	1.2
71.01337	1.0
71.04974	2.1
73.02896	2.5
73.04740	0.9
79.05492	5.3
81.03400	4.0
81.07053	9.7
82.06566	1.5
83.04973	11.3
83.08616	5.8
84.08144	4.6
85.02901	9.7
85.06527	2.4
91.05408	5.3
93.07050	8.6
95.04963	31.7
95.08611	9.1
97.02879	2.6
97.06526	13.8
97.10158	0.9
98.09671	3.2
99.04459	1.6
100.07587	1.0
100.11250	8.1
103.03933	8.9
103.05422	1.1
105.07026	9.3
107.04944	2.3
107.08587	13.7
109.02885	3.3
109.06519	9.0
109.10158	10.8
110.06028	1.2
111.04449	3.1
111.08068	2.0
113.06007	0.9
115.05468	1.2
117.07024	2.4
119.04926	1.8
119.08591	8.7
121.06512	3.6
121.10134	7.6
122.03625	0.9
123.04421	1.5
123.08076	2.9
123.11694	2.6
125.05994	1.3
125.09626	2.6
127.03900	2.5
128.06238	1.0
128.07100	2.0
129.05486	0.9
129.06985	1.7
131.04945	1.5
131.08562	2.8
133.02841	6.9
133.06543	1.4
133.10121	13.0
135.04402	0.9
135.08026	5.5
135.11674	4.3
137.05969	12.2
137.09564	3.9
139.07605	0.9
139.11201	2.6
139.93715	0.7
141.11482	2.1
143.08571	2.4
145.06429	1.6
145.10141	3.1
147.04398	1.9
147.08067	1.8
147.11671	4.0
149.05948	1.6
149.09613	3.4
149.13281	2.6
151.03954	1.7
151.07501	3.6
151.11169	17.8
152.92082	0.8
153.07010	0.8
157.10121	2.5
159.08112	2.1
159.11725	2.6
160.07590	5.1
161.02339	3.6
161.05989	2.3
161.09651	2.9
161.13278	1.6
163.03943	1.1
163.07552	3.4
163.11108	1.3
165.05576	1.2
165.09077	1.6
171.11739	1.6
173.09628	0.8
173.13263	3.2
175.03963	1.3
175.07544	2.1
175.11046	5.6
175.14816	3.0
177.05449	1.5
177.09094	1.5
179.07115	0.9
179.10692	0.9
181.08621	1.5
181.10158	1.1
182.15442	2.5
187.11194	0.9
187.14822	2.3
189.09132	0.8
189.12732	1.0
189.16325	1.0
191.14297	5.8
193.04956	10.7
193.12299	1.4
193.15907	1.6
197.08128	1.3
201.05516	1.2
203.05246	34.5
203.10684	1.2
203.14287	2.4
204.05666	1.1
205.15921	1.8
207.17815	0.7
209.16600	1.4
210.14903	2.9
211.15103	1.0
213.09094	0.8
215.14333	1.9
217.15915	2.8
218.66319	0.9
219.08119	1.1
227.17659	0.8
229.16048	1.7
231.17503	1.7
233.15323	3.8
234.06789	1.4
235.07683	1.1
235.13358	1.0
235.16913	19.6
236.17453	1.1
241.15723	0.9
245.09634	1.4
247.16899	1.1
249.09137	2.0
251.16553	2.3
259.16940	4.9
263.06958	0.8
264.07776	0.8
267.10242	1.0
275.23718	0.8
277.08691	2.3
277.17966	11.8
279.10098	1.8
283.16925	1.3
285.00998	1.0
290.09369	1.0
295.06174	0.8
301.18021	3.1
305.11575	3.8
309.11292	2.4
311.09531	0.9
311.12793	3.2
319.19049	2.4
327.12219	1.2
337.14413	2.5
337.20230	3.2
344.97888	0.8
355.17285	100.0
355.21204	12.6
356.17587	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	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05506	0.8
56.97504	0.4
57.32469	0.4
67.05489	1.3
68.83547	0.4
69.03423	1.4
69.07066	1.2
69.79499	2.3
69.79907	1.0
71.04978	0.8
73.04739	0.6
79.05476	1.8
81.03416	1.5
81.07027	1.9
81.07478	0.6
83.04955	0.7
85.02895	1.2
85.06550	0.6
91.05439	1.5
91.05866	0.8
93.07052	2.6
95.04939	1.4
95.08585	1.6
97.02839	0.5
97.06541	1.6
98.21192	1.3
99.08062	0.5
103.05471	0.5
105.03362	0.5
105.06988	2.1
107.04942	1.0
107.08589	2.0
109.02869	1.2
109.06472	0.9
109.10133	1.4
111.08065	1.0
117.07015	0.7
119.04922	0.8
119.08576	1.2
121.02869	0.5
121.10111	1.3
123.11707	0.5
124.97739	0.4
127.03915	0.8
128.06201	0.6
128.84224	0.5
131.04950	0.7
133.02892	1.0
133.10139	1.0
135.08037	0.6
135.11624	0.6
137.05975	2.2
137.09639	0.8
140.07191	0.4
147.04459	1.0
147.11681	0.9
151.07491	0.5
153.01837	0.7
153.05431	0.6
161.02354	0.6
163.03920	1.1
163.07544	1.2
165.06998	0.5
165.12749	0.6
167.45070	0.5
175.03937	1.4
175.07510	0.8
175.11169	0.5
189.07057	0.7
193.04982	4.0
193.08546	0.7
193.12103	0.6
203.05276	7.1
207.08012	0.6
210.14706	0.8
213.21474	0.5
221.06001	1.1
235.07448	1.1
245.06107	0.5
247.07689	0.7
249.05486	1.3
250.70764	0.5
263.07031	1.9
273.05469	1.5
277.05255	0.7
285.00848	1.4
291.06525	2.3
295.05978	3.8
295.09073	0.7
301.04956	2.0
319.06012	5.9
320.06198	0.9
347.72241	0.4
355.07846	2.0
355.17258	100.0
356.17627	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	355.1539
Annotation	CHEMBL556429
Peak:m/z	Relative Intensity
51.02377	1.2
51.74449	0.9
52.92665	0.9
53.03942	9.5
55.01876	9.1
55.05491	3.0
55.33538	0.9
65.03924	2.3
66.43803	0.9
67.05512	5.2
68.99776	1.3
69.03412	1.4
69.07049	3.1
71.04981	3.6
71.51289	1.4
73.04744	1.0
77.03924	2.6
78.04711	1.1
79.05497	8.6
81.03403	4.5
81.07067	8.4
83.04976	1.9
89.03940	1.2
91.05463	51.0
93.07044	46.0
93.07642	1.8
95.04961	19.0
95.08609	5.6
102.04673	3.0
103.05466	49.3
104.04221	1.1
105.03397	1.4
105.04512	3.7
105.07026	29.0
106.04153	2.7
107.04960	6.0
107.08595	4.7
109.02845	1.4
109.06525	2.3
109.10162	3.8
111.04424	1.4
115.05444	9.5
117.03325	1.1
117.07024	8.5
118.04124	1.4
119.04948	9.8
119.08565	6.1
121.06502	66.7
121.10124	3.2
122.06866	1.4
123.04425	7.4
123.08099	1.9
123.11693	1.2
127.03850	1.4
128.06245	1.2
130.04135	3.5
131.04913	8.5
131.05995	2.7
131.08551	2.7
132.05614	1.0
133.02838	1.6
133.06493	28.1
133.10107	3.4
134.07291	10.4
135.04416	4.2
135.08054	4.8
135.11655	2.0
136.05186	1.9
137.05983	10.5
139.70967	1.0
143.04927	2.4
144.05695	1.6
145.06494	9.0
145.10107	2.7
146.07266	4.8
147.04411	20.5
147.08043	6.9
147.11705	1.9
149.05978	100.0
150.06657	4.6
151.03931	1.7
151.07524	3.7
153.05467	4.1
157.10083	1.5
159.04456	1.3
159.08052	1.5
161.05975	42.9
161.09586	2.0
162.03111	4.1
162.05473	1.7
162.06763	19.6
163.07515	4.1
163.11140	1.3
165.09111	5.9
167.06981	1.4
173.05911	1.7
173.13385	1.4
175.07532	4.3
177.05469	22.6
177.09029	5.2
178.06012	1.1
178.09863	3.1
179.07037	3.7
179.08470	1.3
185.09726	1.2
185.13229	1.1
187.07515	3.5
188.08353	2.0
189.05534	1.2
191.07022	1.9
193.05020	2.3
193.08585	11.0
200.74934	1.1
203.06967	1.4
205.08560	6.5
213.09071	1.5
221.08076	28.2
223.07660	1.1
225.09117	2.2
234.07082	1.2
237.02892	1.8
239.06984	1.4
241.08574	1.7
247.09714	1.2
251.10873	1.5
253.08652	1.2
259.09662	1.3
265.08484	2.2
279.10184	3.7
281.08292	1.4
281.11734	1.9
285.00949	1.3
285.11200	7.6
295.09692	1.2
295.12997	1.4
297.11130	3.1
304.10590	1.1
305.11630	1.7
309.11197	2.0
309.14545	1.3
311.12747	18.1
313.10712	3.0
313.14172	1.9
323.12720	1.4
337.14340	9.3
355.15381	87.2
355.22595	3.2
356.15659	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	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01865	4.6
55.05503	6.7
57.03430	3.7
59.30101	1.7
65.00928	1.6
65.03936	1.9
67.05501	19.3
69.03432	13.8
69.07053	12.7
69.81075	8.1
71.04985	4.9
73.02914	1.7
73.04748	3.9
79.05508	11.2
81.03400	9.1
81.07050	35.2
83.04977	6.6
83.08598	4.2
84.04495	14.2
85.02890	6.7
85.06554	8.7
91.05402	21.1
93.07037	15.9
95.04961	15.6
95.08603	18.9
97.06528	13.7
97.10153	2.3
97.41210	1.5
98.21246	4.3
99.04433	3.7
99.08101	2.2
101.06019	2.3
103.03957	2.6
103.05441	10.2
105.03417	1.8
105.07033	22.4
107.04964	12.3
107.08584	19.9
108.77703	1.7
109.02874	6.2
109.06525	8.2
109.10152	29.4
111.04418	2.3
111.08082	3.8
113.05997	2.3
115.05434	7.1
117.07029	7.5
118.04156	4.3
119.04953	8.0
119.08575	14.0
121.02856	1.8
121.06490	9.0
121.10133	15.7
123.04445	2.7
123.08089	3.9
123.11694	7.9
125.06007	4.3
125.09622	19.8
126.05492	3.8
127.03911	5.9
128.06227	5.2
129.06993	17.8
131.04926	11.3
131.08540	9.1
132.05678	2.6
133.02838	6.8
133.06526	4.7
133.10143	10.5
135.04456	2.1
135.08020	9.8
135.11696	5.7
137.05965	25.4
137.09627	9.4
139.11185	4.4
141.07028	2.0
143.07028	2.7
143.08517	2.3
145.06520	5.5
145.10159	3.2
146.03645	3.9
147.04408	12.1
147.08023	10.9
147.11658	9.4
149.05977	6.6
149.09607	6.1
151.03925	4.0
151.07524	11.5
151.11151	9.6
153.01822	24.3
153.09117	3.2
157.06459	10.8
157.10133	4.9
159.08049	2.5
159.11710	5.2
160.05232	5.3
161.02345	5.9
161.05972	100.0
161.09560	7.6
161.13307	1.9
163.03880	5.3
163.07521	15.8
163.11142	2.1
163.14874	2.4
165.05548	3.1
165.09103	10.3
165.12773	4.3
167.10608	2.5
169.09955	1.7
169.12247	3.9
171.11795	1.7
173.09570	2.3
173.13211	2.5
174.06787	8.2
175.03983	9.5
175.07539	62.9
175.11116	3.5
175.14859	1.9
177.05455	5.0
177.06952	1.7
177.09151	5.2
178.07773	3.6
179.08531	2.1
179.10588	1.8
185.06035	3.9
186.07671	2.3
187.07631	2.4
187.14723	2.3
189.07237	2.9
189.09081	33.9
191.08600	1.8
191.14296	2.4
193.04971	10.5
193.08571	5.0
193.10236	2.2
193.12238	5.6
195.08014	2.1
199.07651	3.2
199.14873	1.8
201.05449	3.4
201.12740	1.8
202.07788	2.8
203.14313	2.2
204.08713	2.2
205.06570	3.5
206.07286	4.0
207.10194	4.3
208.08839	2.0
213.05450	2.3
218.07190	3.1
219.08073	7.4
220.08719	2.1
221.06056	2.8
221.09567	2.7
223.07570	1.8
223.11168	2.9
224.76729	1.8
233.06183	1.9
233.09529	2.2
234.06766	7.4
235.07623	4.6
235.16954	5.1
236.08308	4.5
237.09055	2.9
241.08638	2.1
245.05930	4.3
245.09590	4.0
246.10414	3.4
247.07549	4.8
248.08356	2.8
249.09134	12.4
249.12787	2.0
251.06995	4.3
251.10611	11.5
252.07353	1.7
253.08603	3.0
259.17050	2.0
261.09131	1.9
262.06256	3.6
262.09915	2.2
263.07025	4.2
264.07794	4.6
265.08527	3.6
277.08548	10.2
277.12204	9.0
278.09363	2.3
279.06995	2.6
279.10162	9.9
280.11084	2.8
281.08249	2.8
283.13211	2.7
285.00955	2.7
293.08047	5.8
293.11447	3.1
295.06036	2.0
296.10464	5.3
301.21597	4.3
305.11618	4.1
309.07816	2.8
309.11118	13.6
311.12741	42.4
312.13022	1.9
319.05933	2.2
319.22668	6.7
327.12216	1.8
337.10498	2.5
337.14328	10.4
337.23651	4.5
355.07834	2.9
355.11569	4.4
355.15808	7.4
355.16754	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	355.1538
Annotation	Xanthoangelol H
Peak:m/z	Relative Intensity
50.01536	0.3
51.02386	0.3
52.28665	0.3
53.03938	0.7
55.01856	1.0
55.05503	0.4
62.55375	0.2
62.60580	0.3
63.02397	0.3
65.03928	1.1
66.04701	0.4
66.28568	0.3
67.05502	0.7
68.99783	0.6
69.03422	1.2
69.07055	0.4
70.49666	0.7
70.50069	0.6
78.04703	0.9
79.05495	3.5
81.03413	0.7
81.07042	1.0
91.05469	6.3
92.02606	0.4
93.03397	0.7
93.07034	1.6
94.04194	0.7
95.04959	3.9
95.08581	0.9
103.05461	4.7
103.82603	0.3
105.03389	0.9
105.07026	8.1
106.04164	0.7
107.04951	12.8
107.08573	1.5
108.05758	0.9
109.02919	0.5
109.06499	1.0
109.10155	0.7
111.04436	0.6
115.05437	1.8
117.03377	0.3
117.07001	2.2
118.04185	0.3
119.04935	4.1
119.08534	0.5
120.05735	0.3
121.06496	100.0
122.03635	2.4
122.06796	2.0
123.04432	2.8
123.08073	1.8
127.03876	0.3
129.06966	0.4
130.04111	0.5
131.04913	2.1
133.02834	0.8
133.06477	2.5
133.07515	0.7
133.10129	0.3
133.25298	0.3
134.03633	0.5
134.07256	0.4
135.04396	1.5
135.08049	6.9
135.11694	0.4
136.05197	1.5
137.05968	24.2
138.03128	0.4
138.06331	0.3
139.03883	1.2
143.08513	0.4
145.06479	1.7
146.03589	0.9
147.04385	4.3
147.08051	0.7
149.05963	3.8
149.09561	0.8
151.07553	1.2
153.05438	2.0
153.06929	0.3
159.05591	0.5
159.07957	0.3
160.07523	0.5
161.05971	9.0
161.09607	0.4
162.03125	5.3
162.06700	1.2
163.07504	3.3
165.05608	0.4
165.06969	0.8
165.16335	0.4
169.06413	0.4
175.03873	0.3
175.07535	0.4
177.05463	34.1
177.08972	3.1
178.05920	0.9
178.09879	1.4
179.07001	5.0
181.06496	0.5
182.07240	0.4
183.08095	0.8
185.09660	0.9
189.05574	0.3
191.10632	0.6
193.04990	0.4
193.08594	2.1
194.07280	0.4
196.05217	1.1
197.05984	0.7
198.06827	0.4
198.10262	0.4
199.07602	0.4
201.05473	0.5
205.06502	0.6
205.08548	0.4
209.05907	0.5
210.06709	0.5
211.07513	1.3
212.04739	0.4
213.05421	1.0
213.08965	0.4
215.07100	0.3
221.08163	0.6
222.06824	0.9
224.04727	0.4
225.05490	1.5
226.06256	0.6
227.06985	2.5
234.06734	0.9
235.07443	0.5
237.08975	0.4
239.07106	2.0
240.07889	1.6
241.08566	0.4
250.06268	1.3
251.07036	1.4
253.08574	0.4
255.06436	0.5
256.07306	0.8
257.08087	1.8
259.09647	4.8
265.08533	3.0
267.06522	0.6
268.07193	0.3
271.09583	4.6
281.08130	0.7
281.11783	1.3
282.08844	0.6
283.09619	1.3
285.11224	1.1
295.09631	0.5
297.11179	3.1
301.10648	4.5
305.11493	0.4
313.10718	26.3
313.14291	3.5
314.11072	1.1
323.09225	0.6
323.12732	0.4
337.14429	1.7
355.11615	0.9
355.15338	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	355.1537
Annotation	Gancaonin I
Peak:m/z	Relative Intensity
51.02380	0.4
53.03938	0.9
55.01877	1.1
55.05515	0.4
64.18858	0.2
65.03934	1.0
65.66679	0.2
67.05488	0.4
68.44164	0.2
68.99793	0.3
69.03439	0.4
69.23429	2.6
77.03923	0.3
78.04691	1.2
79.05487	2.9
81.03437	0.3
81.07053	0.6
83.04944	0.3
83.08609	0.3
89.03920	0.4
90.04710	0.4
91.05463	5.3
93.03423	0.3
93.07053	1.4
94.04169	1.0
95.04969	3.2
95.08586	0.4
98.75867	0.2
102.04682	0.3
103.05463	4.2
105.03395	0.8
105.04506	0.3
105.07022	6.8
106.04162	0.8
107.04949	12.5
107.08570	0.9
108.05730	1.0
109.06507	0.7
111.04434	0.7
115.05444	2.1
117.07008	2.4
118.04135	0.6
119.04932	3.2
119.08584	0.6
121.06498	100.0
122.03632	2.2
122.06831	2.1
123.04415	2.7
123.08068	1.7
124.05210	0.4
128.06210	0.3
129.07024	0.3
130.04065	0.3
131.04921	2.1
133.06487	2.4
133.07605	0.6
134.03574	0.3
135.04456	1.6
135.08049	6.4
136.05188	1.2
137.05972	24.2
138.03123	0.3
138.06277	0.5
139.03874	0.8
143.04947	0.4
145.06479	1.8
146.03624	0.7
147.04416	3.3
147.07976	0.5
149.05977	4.1
149.09621	0.7
150.06697	0.3
151.03867	0.6
151.07524	1.0
153.05447	1.8
154.46567	0.2
157.06552	0.2
158.07248	0.4
159.08051	0.4
161.05972	9.4
161.09679	0.3
162.03117	5.5
162.06723	1.5
163.07545	3.4
165.07062	0.4
168.05750	0.4
171.07959	0.3
173.09578	0.3
177.05461	33.8
177.08928	2.6
178.05875	0.9
178.09875	1.4
179.07054	4.5
181.06525	0.6
182.07225	0.4
183.08029	0.3
185.05902	0.4
185.09549	0.5
189.09003	0.3
189.16280	0.2
191.10640	0.5
193.08589	1.7
196.05185	0.9
197.05962	0.8
197.09634	0.5
198.06657	0.3
198.10391	0.3
199.07524	0.5
205.06485	0.4
210.06615	0.6
211.07510	1.1
212.04614	0.5
213.05392	1.3
221.08064	0.6
222.06673	0.9
223.07465	0.2
225.05443	1.3
225.09152	0.3
226.06160	0.5
227.07002	2.5
229.05156	0.2
234.06732	0.6
235.07463	0.5
237.09198	0.3
239.07018	2.2
240.07706	1.4
240.20885	0.2
241.08542	0.4
250.06250	1.0
251.07028	1.2
252.07355	0.2
253.08437	0.6
254.09265	0.4
255.06387	0.4
256.07278	0.9
257.08127	1.8
259.09628	5.1
260.10046	0.3
265.08585	2.2
266.09009	0.3
267.06323	0.4
268.07272	0.3
269.08270	0.3
271.06900	0.3
271.09625	3.9
272.10165	0.3
281.08075	0.6
281.11639	1.2
282.08878	0.8
283.09521	0.8
285.11157	0.7
295.09607	0.4
295.13342	0.3
297.11209	2.9
298.11615	0.4
301.10693	3.8
305.11475	0.3
313.10736	24.9
313.14282	3.8
314.10977	1.3
314.14505	0.5
323.12735	0.5
337.14270	1.4
355.15381	6.1
356.15613	0.4
365.26797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
55.05507	1.8
56.96567	13.4
57.03441	2.8
58.71733	1.7
61.02911	3.9
63.66066	1.4
67.05495	1.9
69.03428	15.3
71.05004	2.5
71.50610	2.3
73.02927	3.1
73.04752	12.3
79.05489	3.6
81.03417	6.6
81.04591	1.8
83.05003	3.0
85.02905	22.7
86.03216	1.7
87.04456	3.4
89.03943	4.0
91.05805	52.0
93.03703	2.7
93.07017	2.1
93.32540	1.9
95.04945	2.4
97.02883	16.3
97.58904	1.4
98.97596	7.9
99.04436	3.4
101.00864	2.4
101.02368	1.7
106.06515	7.3
107.07332	2.7
108.08116	5.9
109.02904	2.8
110.06065	1.9
110.97585	1.6
111.04411	2.5
114.07372	3.2
115.04002	1.8
115.87281	1.4
116.98637	5.6
117.03353	4.5
119.01926	13.5
119.04930	4.3
124.07598	2.6
127.03923	8.5
127.04800	1.4
128.98608	3.3
130.06519	4.9
131.01892	8.5
133.03560	2.5
133.05226	2.3
134.06032	7.5
134.99661	3.2
135.04410	9.3
136.04660	1.6
136.07588	16.9
137.02960	2.1
137.05969	12.5
137.08466	1.8
138.05487	5.2
139.02403	2.2
142.05264	2.8
143.01923	3.8
144.04733	1.8
145.01714	1.5
145.02708	3.5
145.03659	2.3
145.04996	4.7
146.99712	2.2
147.04396	8.0
147.09181	6.5
148.03799	1.6
148.07556	34.7
152.07072	6.5
153.01802	16.5
153.07849	9.2
153.43324	1.6
154.08646	2.5
155.01863	4.1
157.03481	4.5
158.99675	1.9
159.01424	2.0
160.07597	2.1
161.02963	7.0
162.05444	2.2
163.03882	51.2
163.08557	2.8
164.07057	92.4
165.07422	2.7
168.05301	1.7
169.03482	3.3
173.02975	6.7
175.04761	2.7
175.08669	55.7
176.07106	11.5
176.08989	2.1
177.00821	2.7
177.02423	5.2
177.03976	2.0
177.10316	1.7
179.07077	2.0
181.03488	3.0
181.09837	1.8
185.02913	8.8
192.99922	2.0
193.09720	100.0
194.10063	1.8
195.03508	3.8
195.05063	12.3
196.51727	1.6
199.04530	3.5
202.02751	1.5
203.03966	4.9
203.08005	1.5
207.07680	4.7
210.03793	3.6
211.00906	13.3
211.04488	2.0
212.03984	7.2
213.06068	1.6
219.05040	17.2
221.05159	4.8
223.04581	2.8
223.74800	1.7
228.04778	2.1
229.01981	8.0
230.05135	3.3
235.00961	3.2
237.02788	5.3
237.06058	13.7
238.06219	1.7
245.05133	4.4
247.02872	4.3
253.01953	9.2
259.06531	4.5
268.97687	12.8
271.03064	5.8
277.08203	2.5
279.07126	3.0
285.00989	17.9
285.04007	2.4
295.02917	2.1
303.01904	5.8
307.03238	3.1
307.06641	5.2
311.06183	3.8
313.03955	1.9
314.12390	2.8
325.07553	6.2
337.06924	1.9
337.10587	31.0
337.14020	3.3
338.10880	1.9
344.04398	3.0
355.05548	15.0
355.11169	24.1
355.15170	24.1
356.08612	11.2
373.06058	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	355.1175
Annotation	Licoflavonol
Peak:m/z	Relative Intensity
55.05493	0.2
57.03430	0.3
65.03928	0.3
66.99721	0.2
67.05490	0.4
67.13358	0.2
69.07062	0.3
69.51357	0.2
69.51677	1.9
76.49480	0.3
79.05478	0.5
81.07056	1.9
84.47524	0.2
85.06535	0.3
91.05457	1.8
93.07035	0.5
94.04169	0.3
95.04965	0.4
95.08611	0.6
97.06523	0.6
105.07039	0.6
107.04970	2.0
107.08579	0.6
109.02862	0.3
109.06509	1.1
109.10157	0.5
115.05447	0.3
117.07032	0.6
119.04973	0.7
119.08559	0.6
120.05724	0.4
121.02863	1.9
121.06544	0.4
121.10111	0.4
122.03667	0.6
123.11698	0.2
129.06992	0.4
131.04913	1.1
133.02945	0.3
135.07982	0.4
137.05969	100.0
138.06308	1.4
145.06480	2.1
147.04419	1.9
151.03865	0.4
151.07552	0.3
159.04417	1.1
161.05971	1.4
163.07515	0.3
165.09238	0.4
173.05977	5.1
175.03938	0.3
175.07521	1.1
176.04607	0.3
177.05339	1.2
179.07025	17.7
183.04411	0.5
185.06175	0.3
189.06973	0.3
193.04984	0.8
200.04677	0.7
201.05453	10.9
204.04141	0.3
207.08075	0.6
211.03947	0.5
217.06577	0.4
219.06413	0.5
219.08267	0.3
228.04155	0.6
229.04886	5.9
231.08167	0.4
235.07552	1.0
249.09213	0.5
261.07480	0.6
263.07043	3.5
264.07422	2.6
277.08591	0.5
277.12009	0.3
279.06534	1.1
280.06860	5.0
281.07867	6.7
305.08023	0.8
309.11072	0.3
311.12863	0.5
323.08734	3.5
337.14279	0.4
355.11765	11.2
355.17215	8.2
356.12070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	4'-O-Demethylsuchilactone
Peak:m/z	Relative Intensity
52.11515	0.3
56.91441	0.3
64.80301	0.3
65.03935	0.5
67.05478	0.3
69.03413	0.6
69.49696	1.8
74.13589	0.3
79.05495	0.9
81.07038	1.7
91.05453	2.1
93.07056	0.4
97.06532	0.4
105.07013	0.5
107.04927	1.8
107.08575	0.4
107.71053	0.3
109.06502	0.8
109.10156	0.5
115.05458	0.4
116.10841	0.3
117.07009	0.8
119.04955	0.7
119.08583	0.5
121.02853	2.5
121.10073	0.4
122.03660	0.8
124.25345	0.3
129.06981	0.6
131.04939	0.9
137.05971	100.0
138.06322	1.5
145.06479	2.6
147.04410	1.9
147.08037	0.5
149.02406	0.3
149.05991	0.3
155.06047	0.4
159.04391	1.4
159.11618	0.3
161.05956	3.1
163.07545	0.4
173.05962	5.3
174.06688	0.4
175.03923	0.6
175.07553	2.1
176.04680	0.5
177.05429	1.0
179.07019	17.9
179.83125	0.3
183.04411	0.5
184.87497	0.4
189.07059	0.4
189.09132	1.2
193.04938	0.4
200.04704	0.3
201.05441	12.1
203.08496	0.4
204.04132	0.5
207.08035	0.5
211.04050	0.4
219.06450	0.5
228.04146	0.5
229.04886	7.1
230.05507	0.4
231.07971	0.5
234.06725	0.3
235.07487	1.5
249.09122	0.9
251.10567	0.4
260.06821	0.3
261.07346	0.5
263.04556	0.4
263.07068	3.3
264.07388	2.8
277.08545	0.4
279.06534	1.2
280.06845	5.9
281.07822	6.2
305.07959	0.8
309.11102	0.6
311.12711	0.8
323.08688	4.1
337.14398	0.4
355.11694	10.4
355.15540	0.7
356.11963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Scopolin
Peak:m/z	Relative Intensity
55.01856	0.6
55.05509	0.4
57.03419	0.5
67.01840	0.7
67.05483	0.9
69.03434	2.3
69.07073	0.4
71.11283	0.7
73.04740	0.8
81.03410	1.2
81.07037	0.9
85.02910	3.4
89.21449	0.4
91.05770	1.7
93.07005	0.5
95.04951	1.1
95.08596	0.7
97.02913	0.9
97.06562	0.4
105.07017	0.7
109.02863	1.0
109.06509	0.6
119.08580	0.6
121.02857	0.6
121.06510	0.4
121.10130	1.0
125.05962	1.0
127.03956	2.7
129.07011	0.6
130.06523	16.8
131.08559	0.8
133.02879	2.0
137.05981	0.7
140.04718	0.4
144.08109	0.9
147.04387	2.0
151.03893	0.7
153.01845	0.8
153.05455	0.5
159.08040	0.5
161.02333	1.6
163.03886	0.6
163.07520	0.5
165.05376	0.5
167.06999	0.7
169.04942	0.6
172.07597	1.6
175.03905	1.0
176.07060	14.2
177.05496	0.8
181.04959	1.5
188.07071	0.9
189.05405	0.4
193.04958	100.0
194.05281	1.4
201.05357	0.4
207.06641	0.4
218.08109	1.7
219.03053	0.5
219.82596	0.4
221.05956	0.5
242.08133	0.5
249.05589	0.6
257.79071	0.5
263.09253	0.6
266.07999	0.5
274.10669	0.5
285.00885	0.6
291.06711	0.5
295.06042	4.9
296.06256	0.6
319.05957	0.8
338.12497	0.4
355.07230	0.6
355.17215	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenate
Peak:m/z	Relative Intensity
53.56702	0.5
57.19883	0.5
61.48438	0.5
66.49184	0.5
67.05473	1.3
67.19788	0.5
67.45770	0.5
69.03416	1.4
70.20168	1.7
70.20537	1.1
73.04742	1.9
79.05480	1.5
83.05008	0.8
85.02879	1.1
89.03913	6.3
91.05823	6.4
95.04955	0.7
107.04950	2.1
109.02868	0.9
110.05995	0.7
111.08032	0.6
117.03371	7.4
119.04929	0.8
121.02829	1.3
122.06042	0.7
123.16228	0.6
133.02876	0.7
135.04408	18.2
145.02850	11.2
146.05974	0.7
161.02353	0.9
163.03896	100.0
164.04248	1.4
174.05499	2.3
175.05894	2.8
181.04868	1.0
192.06535	1.0
193.04970	4.9
193.06876	2.4
241.19666	0.5
268.97928	1.7
269.97839	0.6
285.00946	2.2
291.06122	0.6
295.05988	2.6
337.13254	0.6
348.47949	0.7
348.64224	0.6
355.07065	2.9
355.12265	2.5
373.25644	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	355.1021
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.72572	1.0
65.96346	0.9
71.49770	1.4
73.04737	3.3
81.84454	1.0
89.03902	5.9
91.05806	5.8
117.03373	7.5
135.04396	15.4
137.00603	1.0
145.02846	13.7
163.03899	100.0
164.04320	1.5
164.07031	2.6
182.08109	1.4
183.59248	1.1
193.05016	1.2
268.97824	2.4
285.00885	2.9
295.06107	1.1
315.00443	1.0
338.36667	1.0
355.06931	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	355.1021
Annotation	Scopolin
Peak:m/z	Relative Intensity
65.20811	1.1
67.05456	1.2
67.80672	1.0
69.03424	2.9
70.70418	3.4
73.04740	2.1
81.03412	1.1
83.04936	1.2
85.02902	3.1
89.03910	7.6
91.05819	5.9
95.04976	1.7
97.02916	1.0
98.62589	1.2
99.52418	1.0
107.04976	3.1
111.04462	1.1
117.03368	8.5
121.02858	6.4
133.02855	4.1
135.04419	20.0
143.98366	1.1
145.02861	9.9
147.04431	3.2
151.03893	2.5
156.87570	1.4
163.03899	100.0
164.04204	1.6
175.03889	6.1
181.04974	2.0
193.04970	21.9
231.75795	1.1
267.58072	1.2
268.97998	1.8
285.00967	2.2
295.06046	1.9
337.09183	2.0
355.13907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01863	5.2
55.05499	6.9
57.03421	3.2
57.07063	2.4
64.67847	1.9
65.03937	3.0
67.05495	14.7
68.99776	2.8
69.03426	12.3
69.07069	11.9
69.23624	14.4
69.24043	6.7
71.04986	3.9
73.04748	3.2
78.44810	2.1
79.05500	11.2
81.03412	6.9
81.07053	19.6
83.04977	5.0
84.04491	6.5
85.02895	4.7
85.06535	11.6
89.03899	6.3
91.05424	35.9
93.07048	16.8
95.04955	16.4
95.08592	15.4
97.06522	12.1
99.04452	3.2
102.04668	3.1
103.05473	11.0
105.03364	4.8
105.07018	24.3
107.04947	25.8
107.08585	13.6
109.02896	4.4
109.06512	6.8
109.10158	15.3
111.04431	4.1
111.08085	3.8
115.05471	3.4
117.03368	8.6
117.07018	8.4
119.04923	14.3
119.08589	11.5
121.02830	10.4
121.06520	9.5
121.10134	9.2
123.04414	4.7
123.08125	3.6
123.11668	5.8
125.09615	18.6
126.05508	2.2
127.03899	4.5
128.06215	3.7
129.07005	15.2
131.04932	19.7
131.08551	8.5
132.05669	3.2
133.02834	15.8
133.06473	5.3
133.10143	8.1
134.03615	5.1
135.04405	16.0
135.08038	10.1
135.11690	4.3
136.05153	2.2
137.05971	24.1
137.09576	7.6
139.03835	3.4
139.11192	3.3
143.08548	5.1
145.02855	10.5
145.06482	7.8
145.10133	5.8
146.03578	5.6
146.07245	2.6
147.04385	44.2
147.08063	9.8
147.11670	5.6
148.05209	3.1
149.05966	13.1
149.09587	5.8
151.03891	8.6
151.07498	13.9
151.11168	6.4
153.01816	11.0
157.06487	8.8
157.10123	2.7
159.04436	5.2
159.08025	4.9
159.11557	2.3
160.05186	6.4
161.02359	13.2
161.05960	100.0
161.09573	9.5
163.03891	83.1
163.06207	3.0
163.07501	19.1
165.05516	4.4
165.09140	10.1
165.12753	3.4
169.06635	2.2
169.12169	2.7
174.06770	6.1
175.03915	50.2
175.07530	69.5
175.11159	4.6
176.04694	37.5
177.05466	83.4
178.07675	3.2
179.03410	14.4
179.10693	8.7
180.04135	3.4
181.04955	3.4
187.03998	2.7
187.07649	3.5
189.07175	4.2
189.09097	29.0
191.03406	13.4
191.08527	4.1
193.04948	13.3
193.08565	3.7
193.12250	3.3
199.14841	3.1
203.14227	2.7
205.04839	3.9
205.06551	4.1
207.08295	3.7
207.10167	8.4
208.08856	2.4
213.18404	2.4
217.15833	3.0
219.08037	5.4
220.08847	4.2
221.05988	2.7
223.07614	3.7
223.11238	5.7
225.09067	3.2
234.06720	5.2
235.07533	8.8
236.08292	4.8
245.06012	5.0
245.09642	4.4
247.07567	5.6
248.08369	3.5
249.05374	4.1
249.09125	14.3
251.10678	10.6
261.09140	3.1
262.06186	6.6
262.09793	3.6
263.06995	10.8
264.07751	4.2
265.08630	3.5
273.05573	3.6
273.08978	2.3
277.08554	10.9
277.12238	7.7
279.10126	12.8
281.08139	4.5
291.06500	6.2
293.08005	6.3
293.11426	3.4
295.06149	4.1
295.09546	3.5
296.10483	4.0
297.11163	5.4
305.11667	6.4
309.11093	12.0
311.09128	4.7
311.12717	47.0
319.05914	17.0
319.22668	4.7
337.06909	13.5
337.14334	9.9
337.23706	4.0
338.13748	3.1
355.07281	5.8
355.11606	3.7
355.17480	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01872	5.1
55.05502	7.5
56.83187	1.9
57.07071	3.7
57.95461	2.1
60.56976	1.7
65.03932	3.8
67.05500	15.6
68.21268	2.0
68.99795	2.7
69.03434	15.6
69.07063	9.1
71.04988	5.2
71.51920	2.2
71.52329	3.7
73.04747	4.7
74.59099	2.6
79.05476	11.6
80.35888	2.0
81.03407	8.2
81.07052	23.1
83.04973	4.5
83.08619	3.0
84.04523	10.1
85.02901	5.9
85.06539	8.1
89.03915	2.5
91.05484	24.9
91.05889	7.0
93.07030	14.4
95.04960	17.0
95.08615	13.7
97.02857	2.8
97.06522	13.7
99.04443	4.1
101.06059	2.5
102.04671	3.3
103.05466	13.6
105.03384	5.0
105.07012	27.6
107.04958	22.9
107.08576	16.1
109.02887	3.1
109.06506	6.3
109.10150	19.1
111.04475	3.1
111.08085	4.1
111.11726	2.9
115.05461	9.1
116.06213	2.4
117.03405	6.7
117.07040	9.0
118.04169	3.1
119.04916	15.6
119.08604	10.2
121.02843	13.4
121.06479	8.4
121.10165	8.1
123.04423	3.7
123.08061	3.1
123.11704	7.3
125.05972	2.4
125.09598	12.5
126.05528	2.8
127.03915	2.2
128.06236	5.5
129.07011	18.3
130.04117	5.9
131.04910	17.7
131.08559	10.2
132.05771	2.8
133.02831	16.9
133.06500	5.8
133.10104	8.4
134.03674	7.7
135.04414	18.3
135.08060	9.7
135.11673	4.4
137.05974	26.1
137.09625	6.9
139.11211	3.3
143.08578	3.5
145.02841	8.7
145.06520	6.1
145.10114	5.0
146.03555	3.4
146.07225	2.8
147.04408	41.8
147.08038	9.6
147.11688	7.3
148.05124	4.9
149.05986	17.3
151.03915	9.2
151.07544	13.5
151.11143	4.6
153.01834	16.8
153.09142	2.9
157.06506	9.6
157.10143	5.1
158.03641	3.3
159.04425	7.0
159.08064	4.0
159.11700	2.7
160.05193	6.2
161.02371	12.8
161.05968	100.0
161.09610	7.0
161.13222	3.1
163.03896	83.0
163.07538	19.3
163.11293	2.7
165.05518	3.1
165.06927	2.4
165.09155	8.7
167.10617	2.6
169.12265	4.2
174.06789	7.2
175.02376	2.3
175.02734	1.2
175.03925	59.7
175.07526	63.1
175.11064	2.7
175.14754	2.4
176.04686	34.4
177.05472	85.2
177.09032	3.5
178.05757	3.3
179.03467	11.5
179.04901	2.6
179.10699	6.1
181.04918	3.5
185.06004	4.1
186.07640	4.1
187.07640	3.3
189.07202	3.9
189.09082	34.3
191.03430	11.2
193.05017	14.0
193.08580	5.0
193.10179	2.4
193.12210	4.1
195.08055	3.4
201.05482	3.4
202.07762	3.3
203.14354	2.3
204.08919	3.7
205.04965	5.8
205.06604	3.8
206.07300	3.7
207.08229	3.9
207.10147	5.5
208.08887	2.8
217.10114	2.4
218.07249	5.2
218.16557	2.9
219.08081	6.6
221.05972	4.4
221.09489	3.0
223.07613	3.2
225.08983	3.4
234.06773	7.2
235.07568	9.5
236.08424	5.4
245.05988	5.8
245.09814	4.1
246.10399	2.8
247.07526	5.7
248.08368	3.5
249.05527	2.3
249.09039	18.9
251.10626	13.1
261.09128	2.7
262.06320	4.0
262.09982	3.0
263.06985	10.6
264.07791	5.3
265.08493	3.3
267.10330	2.6
268.97830	3.9
273.05304	3.5
277.08655	9.2
277.12259	7.5
279.07263	2.8
279.09988	12.1
281.08374	2.4
285.00992	5.1
291.06503	8.2
293.08133	5.0
295.09622	2.7
296.10428	5.7
296.15732	2.7
297.11096	4.9
301.05200	2.6
301.21500	3.0
305.11734	4.8
308.10254	2.7
309.08060	3.8
309.11240	13.6
311.09180	4.8
311.12747	53.4
313.10855	3.0
319.06033	18.9
319.22659	4.1
327.12341	3.7
337.06946	15.2
337.10114	2.0
337.14157	6.2
337.23727	4.3
338.13626	3.3
355.07349	6.1
355.11578	4.7
355.17111	28.4
355.21951	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	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.49131	4.8
55.05508	8.3
56.61614	5.9
57.07054	8.9
58.06581	9.7
58.84758	4.2
60.04499	13.1
60.46427	4.4
67.05485	9.3
69.07052	15.1
70.06544	5.2
71.08620	10.6
79.05450	5.2
81.07001	6.7
83.08595	15.8
91.05762	5.6
95.08595	16.1
97.10122	6.5
109.10094	9.2
123.11669	6.2
141.09460	5.1
161.39941	4.6
240.70827	5.3
245.79178	5.5
336.32602	7.8
354.21750	6.0
354.29639	6.0
354.33585	100.0
355.34198	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	354.1334
Annotation	Protopine
Peak:m/z	Relative Intensity
52.15126	0.5
57.07048	0.8
58.06606	0.6
58.70270	0.5
67.05504	1.1
68.05035	0.6
69.03423	2.6
70.06576	1.9
71.08597	0.7
71.51565	0.8
79.05458	0.6
80.04998	2.5
81.05798	0.7
81.07047	0.7
85.10219	0.5
87.03938	0.8
87.04465	13.3
88.07622	3.5
91.05455	3.7
93.05750	0.9
93.07021	0.6
94.06570	10.6
95.08593	0.6
102.09126	0.8
103.05460	6.0
105.03372	0.7
105.05495	0.6
105.07047	0.7
106.06586	3.0
106.08663	1.7
107.07340	1.3
108.08153	0.8
114.00916	0.5
115.05509	0.5
117.07019	1.2
118.06512	1.5
119.04929	4.3
119.07343	0.7
120.08091	3.1
121.02854	7.5
121.06496	2.2
122.19495	0.4
131.04936	0.9
132.08105	0.9
133.02888	0.7
134.09625	4.9
136.07579	5.8
141.07002	0.7
142.66608	0.7
144.08043	0.9
145.06465	3.2
146.78552	0.5
147.03242	1.2
147.04402	21.3
148.07599	0.5
149.02362	0.7
151.03857	1.0
152.06123	0.7
154.08643	0.9
155.06099	0.5
162.09138	13.2
164.07072	1.4
165.06984	0.9
166.08661	1.1
167.08549	1.2
172.12184	0.5
173.05986	3.9
174.09146	0.5
175.03903	47.8
177.05452	0.7
179.09349	2.0
180.10190	21.3
181.06519	1.2
183.04546	0.6
187.07599	0.8
195.08095	1.8
197.05980	0.9
200.16798	0.6
201.05467	3.4
204.08093	0.9
205.06543	0.6
207.08188	0.6
209.05984	2.5
210.06772	0.7
211.07603	1.0
220.07565	1.2
221.08340	0.8
222.09062	0.9
223.07484	2.2
224.07100	0.6
225.05446	1.2
225.08975	0.8
233.05952	1.0
234.09059	0.6
239.07025	0.8
241.08649	3.3
248.07117	0.9
249.07912	2.0
250.08597	5.0
251.07033	10.4
252.06578	3.7
252.10251	0.7
253.08673	3.1
256.26407	1.5
262.08640	1.9
262.12360	1.0
263.09229	0.9
264.10089	1.5
266.08136	1.1
267.08957	2.1
268.09680	2.9
272.10645	1.0
274.27390	12.9
275.09290	0.8
276.10184	0.6
280.09903	0.6
290.11691	4.1
292.09653	1.0
293.10309	0.8
294.11182	1.0
300.10071	1.2
301.10974	0.6
308.09464	1.0
308.12827	3.7
318.11221	8.2
321.09833	1.5
336.12280	32.2
337.12543	1.3
354.13342	100.0
355.13480	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03928	0.5
57.03424	0.6
57.47141	0.3
59.04978	0.3
61.02913	0.4
66.88240	0.3
67.05488	0.9
69.03418	2.0
69.07051	0.6
69.64172	1.2
69.64585	0.5
71.04980	0.3
73.02898	0.8
77.03920	0.3
77.83123	0.3
81.03381	0.8
85.02895	2.6
87.04441	0.6
91.03987	0.3
91.05434	2.0
94.06564	4.1
95.04961	0.8
97.02863	1.1
97.06403	0.3
99.04399	0.6
103.05479	0.3
104.05027	0.3
105.03380	0.3
109.02874	0.6
109.15951	0.3
115.03852	0.3
115.07565	2.0
117.05732	0.7
118.06530	6.1
122.06025	4.7
127.03917	0.4
134.06017	0.7
135.04456	0.4
136.07581	0.6
145.04942	0.6
146.05998	15.6
147.06773	0.7
148.07553	0.4
150.05518	1.1
162.05498	1.1
163.03922	1.0
164.07040	6.2
166.86954	0.3
174.05493	100.0
175.04437	0.3
175.05911	1.7
175.09720	0.6
176.07050	0.8
178.05861	0.3
192.06540	50.7
193.05038	0.3
193.06931	1.1
234.07692	0.3
285.32770	0.3
336.10767	1.1
354.11804	44.7
355.11914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.05510	13.9
57.03427	4.9
57.07074	9.3
59.67771	1.5
65.03932	2.9
67.05502	96.5
69.07066	13.3
70.66049	6.2
71.04984	2.6
71.08613	5.1
79.05487	59.2
81.07052	100.0
83.04961	2.9
83.08610	7.3
85.06538	5.8
85.10160	2.2
88.33816	1.9
89.32343	1.6
91.05472	27.5
93.07040	78.7
95.04959	6.7
95.08602	89.3
97.06516	3.5
97.10148	4.0
99.08076	5.4
105.07023	23.6
107.08589	51.0
109.06535	3.0
109.10152	38.7
111.08137	1.6
113.09663	1.9
114.83788	1.7
117.06998	13.0
119.08588	14.9
121.06566	2.0
121.10144	32.2
123.08066	3.2
123.11697	17.3
125.09628	2.3
131.08562	28.3
133.10117	12.8
135.11679	30.7
137.13252	11.2
145.10133	21.5
147.11673	14.7
149.13251	20.8
151.14822	4.6
153.12682	1.9
159.11714	16.9
161.13239	12.2
163.14825	21.3
173.13277	19.9
175.14857	4.8
177.12804	3.2
177.16374	10.1
181.04964	7.8
187.14828	11.6
191.14323	2.7
201.16396	3.9
205.15802	2.3
233.22664	5.5
240.80714	1.8
243.21094	35.6
261.22116	86.2
275.70145	1.7
279.22980	4.3
288.75934	1.7
335.25760	12.3
353.27240	8.4
367.07086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.34639	1.5
50.43737	1.8
53.03940	4.1
55.05512	16.7
57.03429	5.6
57.07060	5.3
67.05503	97.7
69.07063	16.5
69.35896	12.8
71.04981	2.4
71.08621	4.7
73.67174	1.7
74.69087	1.4
74.75238	1.6
74.93699	1.4
79.05024	1.8
79.05491	56.2
81.07053	100.0
83.04971	2.6
83.08615	7.9
85.06547	3.9
91.05476	30.8
93.07040	72.6
94.40718	2.0
95.03123	1.6
95.04967	4.9
95.07993	3.9
95.08601	74.6
97.06525	2.5
97.10153	3.3
98.20768	2.2
99.08077	7.2
105.07031	26.8
107.04944	3.2
107.08589	38.0
109.06511	3.4
109.10159	28.1
111.08120	2.7
113.09661	3.7
117.07010	12.0
117.10919	1.6
119.08593	17.3
121.00713	1.5
121.06480	4.7
121.10141	30.4
123.08055	3.5
123.11710	14.0
125.09566	2.3
129.07051	2.1
131.08554	24.8
133.10127	9.8
135.08044	2.5
135.11702	22.7
137.13191	7.8
145.10110	18.1
147.11693	10.9
149.09537	2.3
149.13257	24.8
151.14746	2.7
157.10107	1.8
159.11673	12.7
161.13292	8.8
163.11147	2.1
163.14835	17.4
167.14290	1.9
170.67822	1.9
171.11676	3.4
173.13255	18.8
175.14761	4.6
177.12828	1.8
177.16368	7.7
179.14255	1.8
187.14847	11.3
191.14250	1.9
201.16301	3.0
233.22623	6.1
243.21091	28.0
244.21468	2.5
261.22125	67.7
307.24301	2.9
325.01605	1.9
335.25961	11.6
353.24158	4.4
353.27838	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	4.1
55.05507	16.1
57.03431	6.4
57.07064	7.0
65.03944	4.1
67.05505	93.0
68.87654	1.2
69.07065	16.5
69.35654	2.1
69.36061	11.2
71.04978	2.5
71.08631	5.9
75.04485	1.5
79.05490	54.4
81.07053	100.0
81.33572	1.2
83.08617	8.0
85.06540	4.2
85.10159	1.5
91.05476	27.0
93.07042	67.3
95.04961	4.8
95.08605	80.0
95.19955	1.5
96.08873	1.5
97.06514	4.7
97.10165	3.6
98.21529	2.8
99.08073	6.1
105.07024	19.5
107.04955	2.0
107.08591	42.0
107.09319	2.5
109.10156	25.5
111.08090	2.2
111.11783	1.5
113.09667	1.5
117.07017	12.4
119.08589	11.8
121.10145	34.5
123.11691	14.2
131.08568	24.4
133.10126	16.8
135.11696	26.7
137.09615	1.8
137.13246	7.8
145.10118	14.3
147.11658	11.8
149.09683	1.8
149.13240	23.5
151.14822	5.2
153.12723	2.2
154.51340	1.5
157.10123	1.6
159.11703	13.7
161.13242	10.5
163.11214	2.3
163.14813	14.6
165.12810	1.3
165.16489	1.6
173.13245	18.7
175.14780	2.7
177.12762	3.3
177.16386	7.6
179.14314	1.2
187.14810	9.3
189.16417	1.8
191.14381	1.7
201.16396	3.8
233.19023	2.1
233.22673	8.8
243.21091	31.3
261.22125	72.2
262.22458	2.0
263.23859	1.8
279.23282	3.5
302.66626	1.4
335.25797	10.3
353.26822	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	2.2
54.48495	1.7
55.05285	1.6
55.05509	14.8
57.03423	6.5
57.07072	4.2
65.03934	3.4
67.05504	100.0
69.07072	12.6
79.05492	39.0
81.07055	99.0
81.07484	1.5
83.08599	5.2
85.06555	4.1
91.05469	20.0
93.06491	3.3
93.07045	55.5
95.04962	4.2
95.07994	3.9
95.08606	72.6
95.40924	1.8
97.06488	2.4
98.20784	6.3
99.08089	2.6
105.07030	16.5
107.08595	36.4
109.10162	38.4
110.10473	2.1
111.08106	2.1
117.07018	11.0
119.08566	15.1
121.09336	2.7
121.10144	32.2
123.11704	23.9
131.08582	20.3
133.10124	13.8
135.11693	22.7
137.09619	2.8
137.13284	8.6
145.10121	17.2
147.11691	11.0
149.13258	23.2
153.12752	2.9
159.11693	18.0
161.13231	11.0
163.11263	2.0
163.14781	13.8
173.13295	16.7
175.14818	3.0
177.16467	2.6
177.45013	1.7
187.14777	9.9
215.17841	3.1
229.24649	2.8
233.22778	3.7
243.21112	26.3
255.76729	1.7
259.00406	2.1
261.22147	93.9
263.23700	2.5
279.23209	7.0
335.25729	12.4
353.26913	24.5
362.77991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.8
55.01872	1.5
55.05503	14.4
57.03436	6.6
57.03665	1.0
57.07070	4.5
59.59029	0.9
65.03928	3.3
67.05499	95.2
68.66402	1.0
69.07059	15.1
71.04993	1.8
71.08620	1.5
75.04479	1.3
79.05486	40.5
81.07050	100.0
81.75746	0.9
83.04980	2.0
83.08605	9.0
85.06532	3.3
91.05469	21.1
91.85694	1.2
93.07036	54.6
95.04951	2.3
95.08596	72.8
97.06516	2.7
97.10161	1.7
98.21539	2.5
99.08073	1.1
105.07018	16.5
107.08582	35.1
109.06510	1.2
109.10143	38.0
111.08078	2.7
113.09651	1.7
115.41817	1.2
117.07004	9.5
119.08569	15.7
121.10136	27.2
123.08068	1.8
123.11694	21.2
129.07005	1.0
131.08551	17.3
133.10118	13.2
135.11682	24.5
137.09624	1.7
137.13231	6.7
145.10106	14.3
147.11681	11.3
149.13237	17.2
151.11064	1.2
151.14795	2.1
153.12743	1.0
159.11676	15.1
161.13266	10.5
163.14815	12.7
173.13251	15.2
175.14827	3.7
177.16391	3.8
179.14323	3.2
187.14749	8.1
191.14536	1.6
198.42780	1.2
201.16312	2.1
205.15791	1.1
215.18007	1.2
233.22639	2.9
235.98660	1.1
243.21039	20.7
244.21364	1.2
261.22107	83.2
262.22427	2.4
279.23047	6.3
313.95132	1.0
315.30161	1.0
315.57513	1.1
317.24835	1.2
335.25861	10.7
353.26898	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01870	2.0
55.05501	14.9
57.03425	5.5
57.07066	5.5
57.22597	1.2
65.03924	4.0
67.05499	87.6
68.99068	1.4
69.07052	14.1
71.04987	3.4
71.08637	2.6
71.38961	1.2
71.89001	1.3
74.45903	1.5
79.05485	47.2
81.07048	94.0
83.04960	3.4
83.08608	9.3
85.06552	2.7
91.05475	25.4
93.07034	64.5
95.04955	4.4
95.08598	68.6
97.06525	2.3
97.10159	3.1
101.64483	1.3
105.07019	19.0
107.08585	40.7
109.06481	1.7
109.10146	37.5
111.08076	3.3
113.09624	2.7
117.06995	9.0
119.08576	20.6
121.10133	32.2
123.11684	18.9
127.03821	1.5
131.08554	23.0
133.10100	13.9
135.11678	26.1
137.09650	1.7
137.13237	8.5
139.11206	2.3
145.10083	14.9
147.11668	12.7
149.13229	21.1
151.11208	3.1
151.14783	2.5
159.11678	15.7
161.13229	11.1
163.14830	11.9
173.13232	14.7
175.14804	3.5
177.16321	3.6
179.14336	1.3
187.14803	11.4
201.16331	3.3
215.17949	1.7
219.17387	1.4
233.22588	3.1
243.21075	20.8
261.22113	100.0
262.22440	4.9
279.23224	5.1
281.10492	3.8
299.11642	3.5
335.25748	6.7
353.26971	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46532	1.3
53.03933	2.4
54.21685	1.4
55.05507	15.7
57.03423	3.0
57.07064	4.6
63.46143	1.3
64.72424	1.5
65.03931	2.7
67.05502	93.9
69.07063	13.1
69.40549	7.8
69.40971	4.6
69.68867	1.3
71.04971	4.9
71.08618	1.8
72.28617	1.4
75.04464	1.7
77.51925	1.4
78.97307	1.8
79.05021	1.6
79.05492	51.6
81.07051	100.0
81.50652	1.4
82.07390	1.5
83.08620	5.8
85.06531	3.4
91.05479	25.4
93.07041	62.0
94.02557	1.4
95.04939	3.9
95.08603	71.3
97.06546	3.2
97.10143	4.0
99.08072	1.7
105.07027	20.7
107.08590	38.6
109.06488	2.8
109.10149	42.0
111.08067	2.3
117.07028	9.2
117.76912	1.3
119.08572	17.1
121.06483	1.6
121.10139	31.0
123.11713	19.0
131.08551	23.9
133.10132	14.5
135.08168	1.6
135.11682	27.9
137.09592	2.3
137.13246	6.2
139.11154	2.1
145.10123	16.1
147.11708	11.8
149.13261	19.5
151.14824	3.6
153.12703	2.8
159.11694	15.4
161.13261	10.0
163.14812	14.1
173.13249	16.4
175.14818	4.2
177.12660	1.8
177.16377	3.8
179.14273	2.2
185.13257	2.3
187.14784	11.2
201.16357	3.0
205.15892	1.6
215.17935	1.4
219.17532	2.1
233.22595	4.1
243.21078	20.6
261.22128	97.1
262.22513	4.3
279.23215	3.5
335.25790	5.0
353.26959	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.6
53.83185	1.2
55.01856	1.2
55.05506	16.1
57.03440	6.7
57.07067	3.4
65.03938	2.1
67.05502	89.2
69.07064	13.7
69.82923	6.9
71.04975	3.4
79.05019	1.7
79.05487	35.8
81.07052	100.0
83.04955	1.8
83.08604	6.4
85.06527	1.9
91.05475	20.3
93.07040	49.9
95.04960	2.4
95.08601	70.5
97.06491	3.0
97.10165	3.7
99.08073	2.5
99.64409	1.3
100.39160	1.2
105.07027	15.8
107.08585	33.0
109.06492	2.2
109.10146	38.3
109.10850	2.4
111.08076	1.5
113.09671	1.8
115.64975	1.3
117.07018	7.8
117.83699	1.4
119.07754	1.7
119.08560	13.1
121.10144	28.8
123.08089	1.5
123.11704	19.6
125.09590	2.2
131.08569	18.3
133.10115	11.4
135.11688	22.5
137.09618	1.5
137.13258	7.4
145.10126	13.2
147.11678	11.1
149.13257	16.0
153.12723	1.4
159.11693	11.9
161.13220	7.7
163.14822	10.8
165.12769	1.7
173.13264	13.8
175.14822	3.7
177.16400	3.7
187.14854	8.4
201.16335	2.5
205.15884	1.7
219.17480	1.4
233.22586	3.3
243.21092	19.7
261.22134	74.3
262.22498	2.1
279.23132	5.3
318.30060	1.4
335.25812	11.6
345.45154	1.5
353.26776	20.9
366.29971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	4.2
55.05510	13.9
57.03427	4.9
57.07074	9.3
59.67771	1.5
65.03932	2.9
67.05502	96.5
69.07066	13.3
70.66049	6.2
71.04984	2.6
71.08613	5.1
79.05487	59.2
81.07052	100.0
83.04961	2.9
83.08610	7.3
85.06538	5.8
85.10160	2.2
88.33816	1.9
89.32343	1.6
91.05472	27.5
93.07040	78.7
95.04959	6.7
95.08602	89.3
97.06516	3.5
97.10148	4.0
99.08076	5.4
105.07023	23.6
107.08589	51.0
109.06535	3.0
109.10152	38.7
111.08137	1.6
113.09663	1.9
114.83788	1.7
117.06998	13.0
119.08588	14.9
121.06566	2.0
121.10144	32.2
123.08066	3.2
123.11697	17.3
125.09628	2.3
131.08562	28.3
133.10117	12.8
135.11679	30.7
137.13252	11.2
145.10133	21.5
147.11673	14.7
149.13251	20.8
151.14822	4.6
153.12682	1.9
159.11714	16.9
161.13239	12.2
163.14825	21.3
173.13277	19.9
175.14857	4.8
177.12804	3.2
177.16374	10.1
181.04964	7.8
187.14828	11.6
191.14323	2.7
201.16396	3.9
205.15802	2.3
233.22664	5.5
240.80714	1.8
243.21094	35.6
261.22116	86.2
275.70145	1.7
279.22980	4.3
288.75934	1.7
335.25760	12.3
353.27240	8.4
367.07086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.05509	14.9
57.03431	3.5
57.07079	4.0
65.03943	2.2
67.05503	79.8
69.07058	12.3
69.28849	7.4
69.29275	7.3
70.60792	1.5
71.04978	4.4
71.08621	8.3
72.44173	1.4
77.12281	1.7
79.05492	41.2
81.07051	85.8
82.07367	2.2
83.08614	7.8
85.06551	3.0
91.05467	24.1
93.07039	56.5
95.04942	3.0
95.08602	66.5
97.06529	2.9
97.10175	3.6
99.08079	4.9
105.07029	19.8
107.08593	35.0
108.13818	1.4
109.06511	4.9
109.09476	2.7
109.10155	30.8
111.11702	1.8
117.07013	13.4
119.08573	18.5
121.09342	2.3
121.10143	29.5
123.11697	18.9
131.08557	21.6
133.10095	12.6
135.11687	25.0
137.13239	7.6
139.11182	2.6
143.08475	1.6
145.10121	16.4
147.11685	9.4
149.13245	20.7
151.11157	1.7
157.10146	1.9
159.11685	20.2
161.13292	7.3
163.14824	13.5
165.12769	5.7
173.13226	15.6
175.14804	5.8
177.16328	3.6
179.14143	1.8
182.10791	1.5
185.13301	1.7
187.14838	12.0
189.16336	2.0
201.16289	2.4
205.15901	1.7
215.17917	1.6
233.22632	3.1
235.05817	1.4
243.21089	20.8
261.22122	100.0
262.22412	2.8
279.23135	2.6
291.23123	10.3
302.90018	1.5
335.25848	4.3
353.27048	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.70319	4.7
59.26126	5.5
66.56250	4.4
69.88118	19.0
69.88537	9.7
85.02898	10.7
92.87643	4.9
97.02909	5.4
99.04414	6.0
107.59178	5.7
119.01871	5.1
127.03899	8.0
135.36658	4.2
143.01889	11.9
177.98085	4.9
185.03008	4.4
245.05084	7.5
331.19601	5.5
335.54492	4.8
353.08356	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	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.01867	8.6
55.05507	12.1
57.03425	14.7
57.07087	5.6
61.02927	10.9
65.03931	7.5
67.05506	28.2
69.03431	73.2
69.07082	21.6
71.04985	13.6
71.50616	6.8
71.53960	3.8
73.02909	10.1
78.18348	3.1
79.05497	17.7
81.03414	28.2
81.07051	38.0
83.04979	32.5
83.08607	8.2
85.02916	38.4
85.06554	5.3
91.05492	25.4
93.07049	31.1
95.04956	26.2
95.08608	30.0
97.02885	28.7
97.06512	10.7
99.04463	17.6
103.03967	5.7
105.07029	30.1
107.04953	9.4
107.08602	53.6
109.02908	16.5
109.05838	4.1
109.06479	23.3
109.10162	51.9
111.04436	9.7
111.08070	15.7
117.07008	7.4
119.04939	4.8
119.08595	29.8
121.06521	11.1
121.10146	46.1
122.10421	3.3
123.04448	5.4
123.08089	15.3
123.11676	9.9
125.05984	4.4
125.09617	7.8
127.03902	37.7
129.05441	3.6
131.04927	6.1
131.08551	18.8
133.06520	5.9
133.10141	40.8
135.04468	5.9
135.07181	4.5
135.08038	26.2
135.11688	21.9
137.05977	14.8
137.09624	32.9
143.08571	11.0
145.04962	11.0
145.06488	6.6
145.10104	14.0
147.04413	3.7
147.08055	11.2
147.11691	21.6
149.05956	5.2
149.09642	46.5
149.13263	43.6
150.05472	6.5
151.11191	41.5
157.10124	4.9
158.10927	8.2
159.08081	7.1
159.11708	9.5
161.09659	13.6
161.13266	9.7
163.03802	5.2
163.07524	5.6
163.11157	5.8
163.14856	15.0
165.09065	4.2
165.12741	6.4
167.07085	15.8
171.08110	4.3
171.11736	5.7
173.09637	16.2
173.13249	20.8
175.11134	8.3
175.14796	7.4
176.04837	3.7
177.05518	6.1
177.09163	6.4
177.12827	7.1
179.07069	4.0
185.13286	3.6
187.11191	9.1
189.07565	5.6
189.09132	4.8
189.12758	9.8
191.07077	6.8
191.10728	5.6
191.14301	100.0
192.04070	11.2
193.15907	16.2
201.12750	8.8
209.15385	13.0
213.12828	4.0
215.14386	7.2
219.08063	3.6
219.13579	3.8
221.15343	4.5
231.13837	4.7
233.15402	11.0
245.15356	7.3
252.05972	4.7
257.15384	10.8
261.06076	4.5
264.86313	4.1
275.16495	16.7
287.16458	4.7
293.12497	12.8
299.16409	10.6
317.17557	14.5
335.13516	15.3
335.18533	43.8
353.10349	11.6
353.14700	19.1
353.19589	45.7
354.10696	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	352.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	16.0
69.03427	6.7
70.10401	5.9
70.10754	14.6
78.19585	3.2
80.84212	3.0
84.63461	2.9
85.02905	14.9
92.87856	4.0
97.02906	7.7
98.20845	5.0
98.97563	25.1
99.53358	3.6
99.97899	3.9
110.97587	3.7
116.98644	9.9
127.03877	4.4
128.98596	5.1
144.13870	6.4
146.05984	3.8
146.99715	3.6
153.01822	3.6
158.99652	5.2
160.23286	3.4
162.05499	99.5
163.05852	4.2
177.00658	6.0
190.04976	100.0
190.14369	9.2
203.47960	4.0
219.01756	4.8
231.20073	3.8
237.02821	7.1
253.27878	4.2
275.51187	3.4
310.08865	14.7
311.27838	3.3
331.02817	3.2
352.09885	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03936	3.9
55.01857	2.3
55.05504	17.4
57.03192	1.0
57.03432	10.5
57.07066	5.2
62.24771	1.0
65.03916	3.1
67.05502	52.5
69.03396	1.2
69.06681	1.3
69.07066	14.0
69.32584	1.5
69.32990	7.6
71.04982	3.2
71.08636	1.3
75.04472	1.9
77.03909	1.3
79.05488	71.8
80.05797	1.9
81.07051	62.7
82.07355	1.6
83.04971	1.5
83.08607	9.3
85.06543	6.0
91.05478	56.5
92.05799	2.1
93.07039	91.1
94.07391	1.8
95.04965	7.6
95.08601	40.6
97.06518	3.2
97.10146	3.2
99.08070	3.8
103.05404	1.2
105.07024	63.3
107.04911	1.0
107.08588	57.8
108.08889	1.4
109.06519	3.0
109.10143	16.9
111.08061	2.5
111.11701	1.2
113.09635	2.3
116.32928	1.0
117.07019	14.5
119.08576	60.7
121.10141	45.5
123.08060	1.2
123.11703	3.8
125.09619	1.8
128.06224	1.2
129.05478	1.1
129.07010	7.4
130.07838	1.2
131.08562	24.1
133.10126	46.1
135.08125	2.4
135.11678	46.7
137.05991	1.3
137.09581	2.0
137.13237	1.4
142.07782	1.3
143.08536	9.5
145.10115	26.8
147.08067	2.0
147.11678	47.2
148.11966	2.0
149.09628	5.1
149.13251	31.8
151.11139	2.4
157.10126	10.7
159.11688	20.3
161.09595	2.2
161.13249	42.8
162.13622	1.6
163.11183	4.1
163.14819	10.8
165.12769	1.3
169.10138	1.5
171.11673	15.5
173.13269	13.6
174.77437	1.1
175.11198	3.8
175.14818	19.2
176.81717	1.0
177.12746	3.6
177.16351	1.4
181.12183	1.1
185.13258	12.4
187.14809	3.5
189.12712	4.1
189.16446	1.7
191.14247	1.4
195.13879	1.4
199.14819	8.6
201.16382	1.3
203.14319	3.0
213.16351	4.6
215.17859	2.4
217.19543	5.0
231.17426	2.5
231.21071	9.2
232.21378	1.1
241.19498	43.3
242.19713	1.7
259.20560	100.0
260.20914	4.6
261.22098	1.2
277.18445	1.7
277.21576	17.0
333.24210	9.0
351.25272	69.3
352.25568	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
54.48075	1.9
55.01881	3.9
55.05506	21.5
57.03430	10.8
57.07051	4.7
58.68380	2.0
65.03921	2.2
67.05501	51.3
69.07066	17.7
69.63457	11.1
69.63864	3.8
71.04997	3.5
71.08624	11.5
71.14705	2.0
73.06602	2.2
75.04469	3.2
77.62453	2.3
79.05486	72.8
80.05801	2.2
81.03403	4.6
81.07050	59.8
83.04968	7.8
83.08612	9.3
85.06535	5.1
91.05473	69.0
93.07040	95.2
94.07352	3.2
95.04949	10.5
95.08599	45.3
96.08974	2.1
97.06512	5.9
97.10172	5.4
98.20843	3.5
99.08083	9.8
105.07021	62.7
107.04978	3.1
107.08583	56.7
109.06519	6.0
109.10145	18.9
111.08056	3.3
113.09605	2.3
117.07028	14.6
119.08573	62.0
121.10130	39.4
121.91830	2.2
123.08065	4.2
123.11675	4.7
127.03991	2.5
129.06995	11.5
131.08553	24.6
133.06326	2.0
133.10126	51.0
135.07996	2.7
135.11678	39.4
139.11046	2.8
141.06955	2.4
143.08563	15.9
145.10115	30.7
147.11681	56.3
149.09584	5.2
149.13254	27.8
151.11143	6.9
157.10167	11.0
159.11707	24.1
159.65826	2.4
160.07620	5.5
161.13258	41.4
163.11186	5.4
163.14856	5.5
165.12700	3.3
171.11700	17.6
173.13261	12.3
175.11177	5.4
175.14786	15.9
177.12799	3.7
179.14326	8.2
185.13246	12.9
187.14798	3.8
199.14857	8.4
203.14305	2.8
213.16389	5.0
217.19633	2.4
221.06184	2.5
231.17494	2.9
231.21106	6.1
241.19466	37.9
242.19785	2.4
259.20563	100.0
260.20917	8.2
277.21521	12.5
307.13272	9.4
320.80426	2.4
333.24109	2.7
351.15775	6.5
351.25336	58.3
352.26007	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00368	1.6
53.03949	4.1
55.05507	18.5
56.02604	1.5
57.02827	1.5
57.03430	6.8
57.07066	4.9
58.51546	1.6
61.02902	1.9
66.18598	1.8
67.05502	47.3
69.03411	2.4
69.07063	21.0
69.24770	6.7
69.25208	12.4
71.04977	4.6
71.08632	2.5
75.04486	3.0
79.05488	58.3
80.05830	2.2
81.03423	4.7
81.07050	59.6
82.95571	1.8
83.04964	2.7
83.08619	9.6
85.02911	4.8
85.06535	6.2
91.05477	67.6
93.07040	76.2
94.07379	2.2
95.04964	7.5
95.08605	43.2
96.08974	2.0
97.02885	2.6
97.06550	3.7
97.10144	2.0
99.08089	6.5
103.05453	2.5
105.07026	75.8
107.04950	3.4
107.08584	47.4
109.05578	1.5
109.06498	5.6
109.10155	17.3
111.08077	4.3
115.05476	3.1
117.07004	14.8
119.08574	75.1
121.10130	34.5
123.08054	4.3
123.11675	2.8
125.09616	2.1
129.07002	12.1
131.08546	24.7
133.10121	54.3
135.08105	2.8
135.11688	34.4
137.09599	4.3
143.08563	13.7
144.09279	1.7
145.10106	30.5
147.08087	2.5
147.11682	55.9
147.12822	3.6
148.12039	3.0
149.09608	3.7
149.13237	20.6
151.11153	1.9
157.10141	11.1
159.11690	21.6
161.09641	3.7
161.13251	43.6
163.11189	4.2
163.14746	9.3
169.10187	1.9
171.11673	15.3
173.13255	16.6
175.11224	2.2
175.14824	21.3
177.12816	6.0
183.11703	2.2
185.13219	16.6
187.14786	9.9
189.12723	3.8
189.16344	9.4
193.15775	2.3
199.14859	10.8
201.16397	3.1
203.14279	3.2
207.06580	2.7
209.13177	2.6
211.11282	1.9
213.16331	4.8
217.19592	4.3
231.17511	4.2
231.21072	11.2
241.19518	38.5
242.19919	2.5
259.20560	100.0
260.20984	5.1
261.22162	2.1
277.21561	5.4
284.04471	2.3
333.07278	2.3
333.24231	3.2
351.08456	2.3
351.25375	61.6
352.25769	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04956	1.5
53.03933	5.2
55.01860	4.6
55.05279	1.5
55.05508	22.3
57.03208	1.6
57.03435	19.3
57.07071	3.7
64.09161	1.5
65.03934	2.0
67.05138	3.4
67.05502	62.7
67.23286	1.5
67.96327	1.4
69.03405	3.1
69.07061	25.7
69.34671	2.4
69.35077	11.1
71.04971	4.2
71.08242	2.5
71.08627	62.1
79.05484	51.9
81.03411	5.5
81.07049	67.3
83.04974	13.8
83.08615	15.5
85.06508	4.4
91.05470	42.8
93.07037	71.1
95.04955	12.6
95.08598	49.7
97.06534	10.5
97.10154	4.2
99.07509	1.1
99.08083	36.6
105.07022	31.1
107.04946	9.2
107.08579	40.8
109.06500	4.2
109.10149	17.5
111.08073	4.5
113.09629	2.2
117.07015	6.3
119.08559	27.8
121.06483	1.9
121.10133	33.8
123.11732	3.8
125.09573	3.0
129.06985	4.3
131.08582	9.8
133.10098	19.8
135.11681	41.7
137.09581	4.0
141.09082	2.3
143.08559	4.1
145.10112	8.0
147.11690	12.8
149.09607	1.4
149.13239	16.8
150.82997	1.5
151.11189	20.6
157.10133	3.1
159.11652	10.0
161.09468	1.6
161.13234	17.5
163.11140	10.3
163.14780	3.1
165.12720	3.1
167.10658	3.4
171.11726	5.2
173.13258	4.1
175.14815	5.7
177.12776	4.1
179.14291	100.0
180.14632	3.6
185.13219	3.9
187.14774	3.2
189.12752	4.3
199.14873	3.5
201.16235	1.7
213.16255	2.9
221.15320	4.9
235.16928	6.4
241.19467	4.8
249.29617	1.9
250.37151	1.6
259.20551	14.2
277.21591	49.4
351.15979	2.1
351.25369	43.4
351.30304	6.0
352.25696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01867	3.7
55.05275	3.0
55.05512	35.1
57.03436	49.4
57.07076	3.6
67.05501	73.2
68.19881	2.5
69.07069	30.0
69.70019	1.9
69.78827	4.9
69.79237	9.0
71.04989	7.2
71.08604	2.9
79.05491	81.2
81.07053	89.6
82.07397	2.3
83.04990	5.7
83.08615	22.4
85.06538	10.9
91.05477	67.8
93.07041	100.0
95.04964	12.4
95.08606	70.9
97.06549	7.6
97.10149	7.3
98.21469	2.4
99.08089	6.8
103.05504	2.3
105.07024	68.0
107.08584	60.8
109.06513	6.4
109.10149	30.1
111.08092	5.9
115.05379	2.2
117.07028	17.0
119.08576	49.8
119.09380	3.7
121.06500	3.2
121.10138	54.2
123.08058	2.7
123.11713	7.8
125.09612	2.6
129.07034	7.2
131.08568	28.6
133.10127	40.9
135.11687	42.5
137.09612	3.6
137.13266	3.0
143.08571	9.9
145.10123	22.4
147.11685	43.5
149.13240	28.4
151.11208	3.4
157.10153	8.8
159.11664	20.8
161.09669	2.7
161.13287	26.6
163.11160	3.9
163.14841	6.2
165.12746	5.0
171.11653	13.6
173.13272	9.5
175.11217	3.2
175.14825	12.5
177.12668	3.2
179.08615	2.3
179.14275	2.3
180.15013	2.0
181.10048	2.6
181.12196	2.1
185.13252	11.8
187.14874	14.2
189.16400	3.7
195.13748	3.1
199.14847	8.0
201.16487	4.5
203.18100	3.9
205.15837	5.2
213.16286	3.9
219.17535	2.6
221.19054	5.3
223.14813	3.4
231.21062	8.8
241.19510	22.6
246.94258	4.0
253.08693	3.7
259.20584	67.9
260.21091	3.4
277.21634	27.1
293.21182	3.2
307.13376	5.2
333.24249	6.8
351.16043	7.2
351.25363	76.7
351.30453	7.4
352.25665	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77618	1.5
53.03938	4.0
55.01855	2.4
55.05315	1.5
55.05505	15.8
55.77880	1.7
57.03425	7.2
60.13854	1.5
65.03938	3.1
67.05502	51.1
69.07073	14.3
69.80180	6.0
69.80611	5.5
71.04991	4.7
79.05491	62.8
81.07056	60.9
83.04967	4.5
83.08596	7.3
85.06534	3.2
91.04906	3.1
91.05474	51.0
93.07040	100.0
95.04946	6.6
95.08604	37.4
97.06531	2.3
97.10153	2.2
98.21447	2.3
99.08090	4.4
105.07022	52.3
107.07886	3.3
107.08589	55.8
109.06458	3.8
109.10161	15.0
111.08060	1.8
117.07011	13.1
119.08578	55.5
121.10133	39.9
123.11697	5.0
125.09660	2.3
129.06989	7.8
130.73358	1.9
131.08554	19.6
133.10115	50.1
135.10709	3.2
135.11688	45.4
137.09567	3.0
143.08578	9.6
145.10126	22.2
147.11671	47.5
149.09621	2.7
149.13251	29.0
150.13617	1.8
157.10126	9.2
159.11685	17.1
161.13257	34.2
163.11133	3.4
163.14865	8.8
170.80164	1.6
171.11716	11.6
173.13268	11.0
173.35951	1.6
175.14803	15.2
177.16466	2.3
185.13257	11.4
189.12747	1.8
199.14798	6.4
203.14247	2.5
213.16339	5.5
217.15939	2.0
217.19481	2.3
231.17476	3.0
231.21072	8.3
241.19487	32.6
259.20566	91.9
260.20914	5.4
261.22125	1.7
276.68881	1.8
277.21628	17.2
293.42917	1.8
333.24359	12.3
351.15967	2.1
351.25290	66.1
352.25681	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01856	2.7
55.05502	18.4
57.03426	5.7
57.07061	4.0
63.16135	1.8
65.03925	2.8
66.44926	1.8
67.05502	51.3
69.07061	17.4
70.18330	1.9
70.98573	4.9
71.05009	3.1
71.08624	9.0
73.28953	2.0
75.04445	3.0
79.05488	62.9
80.05837	2.3
81.03406	3.6
81.07052	48.2
82.07386	1.8
83.04964	3.1
83.08607	5.6
85.06569	3.5
91.05478	60.7
91.25688	1.7
92.05823	3.4
93.07043	85.7
94.11224	1.8
95.04994	9.6
95.08600	39.1
97.06531	6.1
97.10131	3.1
99.08108	8.0
105.07022	63.8
106.07371	3.8
107.04935	2.2
107.08589	48.9
109.06535	3.6
109.10164	14.1
111.13673	2.8
113.09700	2.6
115.05462	2.8
117.07011	15.9
119.08580	58.5
121.10138	33.8
123.11741	2.9
125.09628	3.0
129.06976	8.3
131.08563	20.6
133.10115	44.3
135.11687	36.6
143.08563	9.9
145.10118	30.5
147.11681	46.7
149.13261	19.3
150.98366	2.2
151.11220	5.1
156.09282	2.4
157.10088	12.8
159.11694	17.8
161.13246	40.9
163.11214	4.4
163.14836	6.7
171.11717	18.1
173.13274	12.1
175.11203	2.8
175.14815	22.5
177.12778	3.4
179.14326	10.6
185.13309	15.0
187.14798	5.0
189.12871	2.5
199.14847	7.4
213.16309	4.9
217.19495	4.3
231.17561	3.4
231.20973	11.2
241.19522	37.9
259.20572	100.0
260.20822	4.8
277.21564	8.0
333.24200	3.9
351.25287	61.9
352.25586	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.7
53.03933	5.1
55.01861	1.3
55.05508	21.7
57.03436	19.0
57.07056	5.5
63.26996	1.2
65.03935	3.5
67.05502	62.8
68.05831	1.1
69.07066	17.9
69.41119	10.9
71.04972	4.7
71.08242	2.5
71.08626	38.4
79.05487	73.2
81.03407	5.2
81.07050	67.6
81.07541	2.4
82.07359	1.6
83.04981	9.5
83.08601	11.1
85.06516	4.4
87.44381	1.3
91.04904	3.0
91.05476	55.9
92.05785	2.1
93.07040	100.0
95.04959	11.9
95.07993	2.2
95.08601	49.6
97.06557	9.1
97.10154	5.1
99.08093	27.0
105.07026	53.9
107.04942	4.9
107.08586	56.2
108.08894	1.7
109.06499	3.1
109.10154	17.3
111.08092	2.8
113.09652	2.3
117.07019	9.0
119.08577	48.6
119.90612	1.4
121.06527	2.4
121.10140	47.1
123.08049	2.4
123.11687	5.5
125.09620	1.6
127.47472	1.2
128.06187	1.3
129.07013	8.0
131.08569	17.5
133.10123	45.1
134.10393	1.4
135.08037	4.7
135.11678	50.5
136.12012	1.6
137.09570	2.9
137.13255	2.8
137.84763	1.2
141.09114	2.0
143.08534	7.9
145.10117	14.9
146.10287	1.6
147.11674	38.7
149.09634	2.7
149.13254	27.2
151.11159	16.1
157.10136	9.4
159.11714	14.5
161.13248	33.8
163.11169	6.4
163.14839	8.9
167.88879	1.3
171.11699	13.4
173.13263	9.4
175.14812	16.9
177.12758	4.6
179.14302	57.0
185.13210	9.6
187.14781	2.3
189.12712	4.0
189.16338	1.5
195.13831	1.7
199.14781	7.5
200.70038	1.5
203.14243	1.8
207.13618	1.4
213.16376	4.6
215.17921	1.9
217.19473	4.5
221.15349	4.8
231.17403	3.2
231.21053	6.8
235.16953	5.1
241.19505	27.2
259.20566	68.8
260.20901	3.7
277.21628	32.5
277.23862	0.9
278.22009	1.6
287.31235	1.5
292.50381	1.6
308.53339	1.4
333.24179	6.6
351.25287	63.2
352.25598	2.8
371.57294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66399	0.3
70.76481	0.6
81.03416	0.4
91.05495	0.6
120.08056	0.6
146.06013	0.5
150.05492	0.4
162.05522	0.9
175.08632	1.1
189.10271	0.6
193.09688	0.4
197.10603	0.4
199.08696	2.7
200.09438	9.0
200.11313	0.6
201.10197	9.6
202.10883	0.8
205.09760	0.5
206.10551	0.5
212.09396	0.4
213.10225	8.5
214.10983	5.8
215.11783	24.9
216.12387	1.7
217.09683	2.1
218.10654	0.5
219.11270	12.1
225.10109	0.6
225.13872	0.4
226.10907	2.0
227.08209	1.1
227.11732	1.6
228.09003	0.9
228.12511	3.1
231.11298	2.4
232.11916	0.6
233.12836	0.9
241.09698	2.3
241.13326	5.8
242.10493	13.6
242.14203	0.9
243.11296	2.8
245.09222	0.8
254.10515	1.3
255.11319	0.8
256.12061	4.3
259.10809	4.6
259.13828	0.6
259.14258	0.5
260.11563	4.6
261.12357	1.2
269.12863	5.6
270.13495	0.9
271.14432	0.6
272.11530	0.8
274.13254	0.8
277.11853	3.4
280.12039	0.4
282.10010	0.6
287.13828	3.8
288.14572	0.5
289.15436	0.5
297.12314	8.6
300.10986	3.9
315.13361	21.7
316.13568	0.9
333.14429	21.9
334.14609	1.0
351.15485	100.0
352.15823	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	351.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	8.7
57.03432	2.4
61.02925	1.0
69.03436	5.5
70.82960	3.3
71.04996	1.6
73.02919	1.9
81.03411	2.4
81.07074	1.0
83.04965	2.7
84.96017	2.3
85.02893	8.6
87.04412	1.1
97.02876	6.2
98.97574	19.4
100.14913	1.3
101.00862	6.1
103.02422	4.9
109.02869	1.1
109.36327	1.0
109.37158	1.2
110.97566	6.5
112.99104	1.3
113.00856	3.6
115.00674	1.2
115.02396	3.6
116.98619	8.1
117.03974	3.1
119.01911	12.1
121.01641	1.6
121.03459	2.1
127.02391	2.0
127.03888	3.6
128.98581	5.8
129.03990	4.3
131.00174	2.2
131.01913	12.6
131.96143	1.5
132.02167	1.2
132.73625	1.1
133.03467	9.9
134.03555	1.2
134.99620	2.1
135.03259	1.2
135.05006	1.6
139.03833	1.2
140.98615	1.1
143.00137	2.1
143.01884	4.1
145.01689	2.7
145.03442	7.8
145.04927	1.5
145.97629	1.0
146.99623	3.8
147.01320	1.4
147.03256	2.7
147.05013	33.5
148.05109	1.8
149.01167	1.3
151.04420	1.5
151.06236	1.1
153.03978	2.4
155.01904	8.8
156.02800	1.4
157.03459	3.8
158.99660	7.1
159.03702	1.2
159.05029	7.5
161.01181	4.3
161.02951	3.4
163.02678	1.9
163.04529	1.9
165.04198	1.0
165.04686	1.1
165.06082	10.0
167.96243	1.3
170.99664	2.6
171.05038	18.6
173.02946	8.8
173.06575	3.6
175.02771	2.2
175.04495	4.4
177.00687	5.8
177.06102	1.7
181.03589	1.3
183.04984	8.0
185.02921	2.9
185.06645	5.4
187.04474	1.3
189.00691	4.3
189.04308	3.1
189.06042	40.3
190.06317	1.6
191.97150	1.5
193.03687	2.0
195.05037	1.6
199.04521	1.5
201.00633	3.1
201.06070	38.0
202.06219	1.1
203.02298	1.3
203.03958	4.5
203.05981	1.5
203.07594	9.5
205.03828	2.5
205.05579	2.0
207.05283	2.7
207.07138	2.6
213.06088	5.4
215.04054	1.5
215.07634	1.5
217.00117	1.3
217.05360	1.5
219.01729	9.1
219.07144	1.6
221.03113	1.6
221.05043	16.2
225.06070	11.6
225.08131	1.6
231.01637	1.3
231.05257	2.3
231.07181	6.1
233.99313	5.3
237.02786	12.6
243.07245	2.2
245.05005	2.7
247.06705	1.4
249.02658	2.2
249.08394	2.6
261.08417	7.2
273.08130	4.8
277.03436	4.7
278.03735	1.3
279.09253	6.6
291.09314	100.0
292.03436	4.7
292.09464	6.6
295.06995	2.1
303.01346	6.0
309.10129	22.5
310.04474	2.6
310.10107	1.6
333.08408	1.8
351.11450	36.0
352.11359	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	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	2.5
56.96565	33.1
57.03417	3.6
59.89077	1.5
61.02913	4.1
69.03426	10.3
69.40479	13.5
70.06559	1.7
71.04979	1.9
71.95230	1.5
73.02894	3.8
81.03418	5.3
81.07063	1.5
82.20620	1.7
84.96019	6.8
85.02911	18.8
97.02892	10.6
97.50956	1.5
98.97584	88.3
99.04424	1.9
100.99144	4.6
101.00874	4.7
102.29207	1.8
103.02404	2.9
109.02880	1.7
110.97572	21.0
112.99091	2.4
113.00886	1.6
115.02410	2.2
116.98628	45.1
119.00174	2.9
119.01928	8.7
120.02020	3.1
121.01665	5.3
124.99090	1.8
127.00669	4.1
127.03902	7.1
128.98602	27.7
131.00163	4.2
131.01898	5.0
131.96156	4.6
133.01712	3.8
133.03462	4.3
134.99669	14.6
137.03058	1.9
140.00162	2.4
140.02242	1.9
143.00171	7.0
143.01878	5.2
144.98108	5.0
145.01703	6.2
145.03537	3.4
145.04872	2.8
146.99660	13.9
147.03265	13.6
147.05038	8.6
149.01208	3.4
149.97182	3.8
153.01804	5.1
155.01901	5.0
157.03481	2.7
158.99652	29.2
161.01318	9.3
161.02899	6.2
162.99132	4.4
163.02702	4.6
165.00676	3.8
165.04344	11.7
165.06044	3.3
170.99680	15.0
171.00996	2.7
171.05013	5.6
173.02902	3.6
175.02750	3.2
175.04529	2.9
177.00719	31.2
179.02293	3.1
187.02742	2.4
189.00766	11.8
189.02316	2.7
189.04323	8.4
189.06071	8.6
190.06363	2.0
193.03857	3.4
195.01765	3.5
200.02243	2.3
201.00700	7.4
201.04416	4.3
201.06119	10.6
203.02164	3.2
203.03964	4.1
203.05803	2.7
205.03752	2.0
207.01828	2.4
207.05344	4.3
210.03769	1.7
212.07237	3.4
217.00090	3.1
219.01753	41.6
219.03688	3.6
220.02170	1.7
221.05035	6.8
225.06068	3.3
229.01485	3.3
229.03700	2.5
231.03314	2.1
231.05333	4.9
231.07446	2.6
233.99382	2.4
237.02814	62.0
237.05154	3.7
245.05054	5.6
249.02611	4.3
249.06490	3.4
255.03874	7.1
259.02313	6.7
261.01611	2.2
263.06128	3.2
270.02103	4.0
275.01880	2.7
277.03497	11.9
279.09442	2.5
291.07120	45.7
292.03632	2.8
292.08209	2.5
303.01297	25.1
304.01465	2.4
309.05225	4.2
309.08521	100.0
310.04761	2.2
310.08841	3.5
332.10229	6.2
341.05554	1.7
351.09329	17.3
352.10199	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20393	4.9
70.20727	1.4
121.29570	1.1
133.03455	1.3
147.05046	1.7
171.05020	1.6
198.01813	1.2
207.07210	1.4
213.21652	1.1
310.90875	1.1
351.06876	34.7
351.12518	100.0
352.07266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	1.9
70.29942	6.1
73.59569	1.4
82.99870	4.7
85.01405	6.8
86.99351	2.2
89.18903	1.5
93.39586	1.5
97.01382	1.6
101.00880	27.4
103.02440	18.2
110.12174	1.5
113.00871	7.9
115.02393	9.1
118.01147	2.4
119.01923	44.9
121.03471	5.8
127.02420	17.3
129.00336	4.9
131.01907	25.5
133.03465	60.2
137.02966	4.2
139.02386	3.9
141.03978	2.6
142.03535	3.1
143.01894	29.6
145.03464	70.9
146.03558	3.8
147.01392	23.4
148.01488	2.1
149.02861	2.1
151.04514	17.6
155.01898	30.2
157.03473	44.1
158.03568	1.8
159.05052	7.0
161.02975	42.4
163.04506	6.5
169.03432	4.7
171.01396	5.3
171.04985	2.0
173.02971	56.6
174.03664	3.3
175.04535	55.1
176.04723	2.3
185.02950	40.1
186.03029	2.5
187.04521	35.9
189.02484	12.5
191.04018	4.4
196.04681	2.2
199.04512	2.2
201.02472	5.7
203.04005	100.0
204.04198	3.1
215.03989	22.5
217.05659	3.9
221.01866	3.2
221.05069	13.8
226.05589	3.2
227.03844	2.0
231.03514	2.8
245.05060	81.4
246.05495	1.9
263.06125	68.3
264.06335	4.0
273.04547	9.2
291.02499	3.6
291.05573	29.7
292.06018	1.9
309.03235	3.9
309.06680	43.0
310.06708	2.4
314.07193	1.7
351.07718	43.8
352.08020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0861
Annotation	Alteichin
Peak:m/z	Relative Intensity
57.25793	0.3
63.58319	0.3
69.03471	0.4
70.41015	0.5
70.41389	0.5
74.25461	0.3
79.05550	0.3
81.03460	1.2
91.05539	0.9
99.48601	0.3
100.85268	0.3
103.05541	0.4
105.07069	0.6
107.04993	0.4
107.08617	0.3
109.02922	0.4
115.33154	0.3
119.04955	1.4
121.02870	4.3
131.05006	1.0
147.04388	3.4
149.02443	0.9
149.05989	0.4
159.04485	1.2
160.85435	0.4
171.04506	0.5
175.03908	10.2
176.04755	1.1
177.05507	3.3
178.07727	0.4
187.03873	0.5
193.10172	0.4
202.07726	1.8
203.08542	3.1
206.07301	0.7
207.06583	2.1
207.08163	0.8
213.07101	0.7
215.08606	1.2
217.06474	0.4
218.07120	0.5
219.08116	1.1
221.09564	1.7
231.08049	13.6
232.08665	0.6
235.07607	1.1
241.06589	1.2
242.07204	0.5
243.07993	0.5
245.06091	0.8
247.07735	0.3
248.08235	0.4
249.09128	3.1
258.06750	0.8
259.07541	14.1
260.08273	2.2
261.09134	0.7
262.06274	0.5
263.07025	3.4
269.05951	0.6
271.07529	1.2
273.05432	0.5
276.07886	1.2
277.08585	9.5
286.06235	0.5
287.07007	38.1
288.07669	3.3
290.15976	0.3
291.06497	5.1
304.07263	0.8
305.08072	24.2
306.08466	0.7
315.06497	31.2
316.07281	11.2
317.07452	0.6
319.06088	2.0
332.06671	2.3
333.07553	100.0
334.07968	3.9
347.05405	2.6
351.08591	30.5
352.08884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	7.2
57.03427	6.8
61.75678	6.1
65.68095	6.4
69.03417	20.3
70.06577	11.9
71.04983	7.8
71.51020	7.4
72.04505	8.6
73.11165	6.4
81.03400	13.7
83.05002	5.9
85.02923	35.3
97.02888	16.0
99.04440	7.2
111.04433	30.8
112.07585	8.3
117.83219	5.8
129.57733	6.6
139.03909	80.0
144.08066	10.0
145.05037	7.9
146.06012	24.6
158.99681	6.6
171.06538	100.0
188.03769	26.8
188.07088	20.0
188.55748	6.4
315.59692	6.7
350.15674	7.3
351.15533	7.2
360.49094	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.05516	4.7
61.02942	4.9
69.03426	12.0
69.07059	5.6
71.04966	4.8
71.42954	8.0
79.05484	25.9
81.03419	22.6
81.07041	11.0
83.08625	5.9
85.02911	33.3
86.81371	4.3
91.05458	19.4
93.07054	39.8
97.02890	9.4
97.06529	5.9
100.11263	14.4
101.11594	4.7
105.07032	7.7
106.68138	3.5
107.04967	4.0
107.08612	27.6
109.02882	12.4
109.10157	7.5
117.03381	4.6
119.04892	7.0
120.08147	4.9
127.03909	9.6
133.10129	9.1
135.11682	100.0
145.04980	11.6
147.04391	9.4
153.12735	14.6
175.03908	12.7
177.05450	8.3
192.08466	4.2
198.24326	4.4
207.06505	20.2
243.09735	5.0
277.22763	4.9
280.17859	4.2
287.08847	11.5
297.07550	4.4
315.08490	15.2
321.09628	5.3
333.09686	22.4
350.12619	4.0
351.10696	13.0
351.17911	4.3
366.03088	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
59.04991	4.7
59.08331	3.2
69.03452	7.4
69.79705	15.0
69.80127	6.9
81.03401	5.8
81.07029	5.8
85.02893	20.1
91.05486	11.3
93.07040	78.3
95.04984	3.9
95.08598	60.9
97.02872	4.9
105.07034	9.6
107.08593	53.5
109.02854	3.8
120.08160	4.2
127.03858	4.2
135.11679	100.0
146.01631	3.6
147.04430	3.7
153.12761	21.6
168.50299	4.0
207.06435	5.0
270.38028	4.0
331.26917	3.3
333.09409	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.05501	8.1
57.03415	5.2
57.07070	2.9
57.61472	2.3
61.02913	6.8
67.05495	5.3
69.03420	12.4
69.07060	6.6
69.81474	5.3
69.81880	13.5
71.04988	3.7
72.49180	2.5
78.12445	2.6
79.05482	19.3
81.03411	22.4
81.07050	8.7
83.08593	4.0
85.02905	40.1
91.05482	10.9
92.81059	2.6
93.07043	40.6
95.08632	4.2
97.02889	10.2
97.06541	5.2
98.21449	2.7
99.04443	7.1
100.11251	11.8
105.07004	4.0
107.08587	27.8
109.02874	10.7
109.10136	7.0
111.04373	3.2
117.03381	3.4
119.04946	8.7
119.08566	5.1
127.03905	10.4
129.92305	3.1
133.10097	3.7
135.11681	100.0
137.05898	2.9
145.02890	7.1
145.04927	14.4
147.04387	6.1
151.03873	3.6
153.12726	13.3
163.07310	2.7
175.03889	9.9
177.05447	9.0
182.15457	2.7
189.05371	3.1
191.08224	3.1
192.08438	3.9
198.53621	2.7
206.67035	2.6
207.06433	15.1
211.15067	2.7
243.10088	5.0
277.22702	4.5
287.08948	9.7
297.07391	4.5
302.75677	3.2
315.08630	13.7
318.07065	4.0
321.09485	4.9
332.13474	2.8
333.09488	29.1
343.30478	3.6
344.31015	2.8
351.10953	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	350.1345
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03923	0.9
55.01878	1.1
57.03439	2.6
59.04996	0.3
60.90818	0.2
61.02927	2.2
69.03428	8.2
69.62955	0.3
69.63367	1.2
71.01341	0.9
71.04996	2.4
73.02923	1.2
81.03418	1.7
81.10516	0.2
81.42698	0.2
87.04485	0.3
90.13138	0.2
90.91500	0.2
91.05463	0.7
97.02889	0.5
98.21467	0.4
99.04453	2.1
116.04990	0.4
117.05533	0.7
118.06528	3.3
120.08059	0.6
123.08081	0.2
132.06804	0.4
132.08084	1.2
145.07610	15.3
146.08456	1.0
147.09167	21.6
148.09433	0.5
157.07565	0.8
159.09181	10.1
160.09967	1.9
161.10706	0.7
171.09215	0.5
173.07086	1.4
173.10724	1.3
175.08652	1.4
183.09169	0.3
184.09958	0.6
185.10745	3.4
186.11470	0.8
187.08701	0.8
187.12361	1.1
189.10245	0.9
191.08151	100.0
192.08482	2.4
193.08527	0.2
197.10706	1.3
199.08662	0.9
199.12279	1.4
200.09361	0.3
201.10223	0.6
203.11775	0.4
211.08604	0.4
213.10204	2.0
215.11792	1.4
216.07684	10.0
225.10217	1.1
227.11742	0.4
231.11261	0.6
233.09180	0.4
233.12915	0.3
243.11284	0.4
245.09221	0.6
245.13025	0.5
253.09842	0.3
263.13907	7.2
264.14124	0.3
271.10757	0.7
289.11850	3.8
299.84369	0.2
307.12878	53.8
308.13309	1.3
344.41507	0.2
350.13470	47.5
351.13943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77270	0.2
55.01855	0.6
56.05026	0.2
56.96567	0.4
57.03426	1.0
60.04515	0.2
61.02912	1.4
69.03433	3.3
71.01345	0.2
71.04985	0.5
71.50658	0.4
73.02907	1.2
79.05444	0.3
81.03419	1.5
85.02902	8.7
87.04473	0.4
89.03909	0.3
91.03934	0.3
91.05491	1.2
96.73549	0.3
97.02869	2.6
98.97572	0.5
99.04454	0.9
103.03936	0.3
103.05460	0.4
109.02856	1.1
110.06069	0.3
111.04395	0.4
115.05435	1.6
116.98651	0.4
117.05742	0.6
117.07019	1.6
118.06535	27.6
119.06847	0.7
127.03901	1.4
129.07034	0.5
130.06517	3.2
131.06898	0.3
132.08109	0.8
139.03893	0.5
142.06497	3.0
143.07292	3.9
144.04427	0.3
144.08075	16.2
145.04977	0.6
145.06477	0.4
145.08397	0.6
146.06000	66.9
146.99646	0.3
147.06325	1.6
153.01845	0.3
154.06522	1.0
155.06036	0.3
155.07216	0.4
156.08070	4.7
157.08513	0.4
158.05998	0.9
158.09642	0.7
160.07565	2.4
161.07936	0.4
167.07292	0.8
168.08113	1.7
170.04652	0.5
170.06004	6.6
170.08220	0.3
170.09691	0.6
171.06445	0.8
172.07564	0.8
180.08055	0.5
182.06053	1.6
182.09747	0.3
183.06725	0.7
184.07512	1.6
186.05515	1.0
186.09120	0.4
188.07053	100.0
189.07408	3.3
196.07552	0.8
197.08156	0.3
198.09047	0.5
198.42462	0.2
200.07013	1.7
202.08617	1.4
210.08969	0.3
212.07100	0.4
214.08438	0.3
219.01830	0.3
228.06558	1.1
230.08058	1.2
232.09702	0.4
237.02785	0.7
241.10547	0.3
242.08125	0.6
244.09761	0.3
259.11600	0.4
260.09122	2.5
270.13174	0.3
272.09152	0.3
284.08960	0.6
290.11438	0.3
304.11633	0.5
309.08557	0.7
314.09979	0.5
332.10995	0.7
332.13397	0.3
333.11777	1.3
350.12311	19.3
351.12540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.5
55.05500	0.4
65.03923	0.4
67.05491	0.4
69.03412	1.5
70.06586	0.8
71.04997	0.7
71.49818	0.6
81.03400	1.3
82.49718	0.4
83.04992	0.5
85.01124	1.0
85.02892	5.6
93.07027	0.9
97.02892	4.2
99.04454	0.5
105.50848	0.4
108.20264	0.4
109.02885	2.1
112.02188	2.1
123.04430	0.5
126.93987	0.4
127.03935	2.3
130.06509	0.7
136.26210	0.4
139.03886	0.7
140.01646	1.1
145.04897	0.5
146.05975	1.2
147.04333	0.6
152.05348	0.6
153.09073	0.9
157.01929	0.8
164.07080	0.6
170.02675	6.5
170.06073	0.5
170.11760	0.7
171.10133	0.7
184.07698	0.4
188.03754	100.0
188.12747	2.0
189.04065	1.4
230.04729	2.2
296.05832	1.5
314.06961	6.3
314.10455	0.8
329.22113	0.5
332.08075	1.9
332.11453	0.8
333.09586	0.8
350.08954	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01869	18.3
55.05507	42.3
57.03202	1.7
57.03435	21.5
57.07083	3.3
58.08327	2.1
59.04994	2.5
60.55046	2.1
63.40045	1.8
65.03916	3.6
67.05502	60.7
69.03416	4.4
69.07063	43.8
71.04980	5.4
71.21451	1.9
71.26968	1.8
71.51775	3.9
79.05019	4.6
79.05488	89.5
81.03416	10.4
81.07053	59.7
83.04986	12.6
83.08612	14.0
85.02888	3.1
85.06508	5.3
90.90378	1.9
91.05473	57.2
93.07039	53.0
95.01340	2.6
95.04974	13.2
95.08605	37.3
97.06528	20.4
97.10163	15.4
103.05472	4.3
105.04556	1.9
105.07024	74.2
107.04949	24.7
107.08585	100.0
109.06516	13.3
109.10152	22.1
111.08078	5.1
115.05414	2.5
117.07005	24.0
119.08575	37.3
121.06484	7.6
121.10153	24.8
123.08051	8.1
123.11691	4.3
125.09631	18.0
128.06233	2.8
129.06999	9.1
130.07741	2.5
131.04839	2.7
131.08560	33.5
133.06436	2.4
133.10115	41.3
135.08038	9.0
135.11723	13.6
137.09613	4.2
140.16907	2.4
141.06992	3.4
143.08546	13.6
145.06465	5.7
145.10115	63.1
147.08020	2.5
147.11673	35.2
149.02319	6.1
149.09598	25.8
149.13199	5.0
151.11142	3.5
153.09059	4.5
155.08553	4.9
157.10115	9.2
159.07994	3.5
159.11694	19.6
161.09566	3.9
161.13275	8.7
163.11139	10.6
165.09125	3.2
167.08508	4.1
169.10126	6.9
171.11655	10.5
173.13287	7.9
177.12730	5.1
179.08652	2.7
179.14268	5.3
181.04955	2.0
183.11690	6.8
185.13257	5.6
187.11163	4.4
189.11232	13.3
189.12692	2.9
191.14243	2.6
195.07985	4.9
195.11685	15.9
197.13274	6.8
207.13762	2.9
211.11043	2.3
211.14975	2.2
219.13773	2.5
223.11186	2.2
229.19481	2.9
237.12701	4.7
239.17844	13.4
247.07495	3.2
247.20648	3.2
257.18951	41.7
261.18588	1.8
275.06979	4.1
275.20050	71.6
285.10205	4.2
293.21240	2.7
303.06418	8.4
313.21606	4.4
331.05881	5.8
331.22870	4.6
349.06967	8.4
349.23633	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73783	2.0
53.03945	17.3
55.01871	11.5
55.05275	2.5
55.05509	28.0
55.23716	1.9
57.03432	22.2
65.03960	2.2
67.05501	77.2
69.03407	4.4
69.07066	64.8
71.04971	2.3
79.05491	69.8
81.03416	31.7
81.07052	99.7
81.34325	2.2
83.04972	16.0
83.08624	13.1
85.06524	5.4
86.03520	2.2
86.73961	1.9
91.05479	81.0
93.07044	71.2
95.01328	19.7
95.04958	25.1
95.08604	66.2
97.06528	23.5
97.10147	5.6
99.08038	2.1
103.05448	3.0
105.07024	100.0
107.04948	38.9
107.08587	39.4
109.06509	9.9
109.10121	14.3
111.04448	2.5
111.08080	4.5
112.58418	2.4
113.09595	2.4
117.07006	28.8
119.04961	3.4
119.08574	58.3
121.06496	8.2
121.10152	15.5
123.04441	4.7
123.08078	14.5
123.11692	6.3
125.09586	4.5
129.06950	7.6
131.08563	39.4
133.09132	3.5
133.10123	56.9
135.08020	7.6
135.11685	13.6
137.09563	5.7
141.06984	7.6
143.08571	8.0
145.06479	7.0
145.10127	38.1
147.07959	2.4
147.11681	25.0
149.09610	11.9
149.13281	13.0
155.08604	3.1
157.10092	6.8
159.11674	26.1
161.13231	10.6
163.11157	8.7
165.09055	3.1
169.10101	6.3
171.11708	5.1
173.13269	8.2
177.12737	9.4
179.14281	34.1
183.11655	5.3
185.13206	3.5
187.11163	9.2
197.13255	4.4
205.12218	4.3
229.19566	5.0
239.17876	6.0
241.14400	3.3
247.20569	4.6
257.19058	10.4
275.20059	62.8
349.23758	52.3
349.28021	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01873	30.0
55.05512	28.7
57.03434	28.7
57.07059	3.0
65.03937	2.6
67.05505	65.6
69.03424	4.6
69.07066	54.5
69.32813	15.3
71.04992	6.7
79.05490	73.2
81.03416	7.5
81.07053	71.1
83.04977	9.9
83.08632	12.5
85.06535	6.4
87.97752	2.0
91.05478	73.9
91.66833	2.1
93.07036	66.0
95.01337	4.9
95.04964	14.4
95.08604	46.3
97.06519	40.8
97.10167	4.8
99.08101	3.8
103.05434	3.0
105.07028	83.2
105.74122	1.9
107.04949	20.1
107.08592	46.5
109.06541	13.8
109.10163	20.3
111.08073	3.1
115.05444	4.6
117.07014	31.6
119.08578	62.0
121.06510	8.9
121.10129	26.0
123.08067	8.7
123.11779	3.4
125.09630	6.7
125.25074	1.9
128.06247	2.9
129.07014	10.7
129.92332	2.1
130.07825	2.8
131.04994	2.0
131.08569	45.1
133.06442	4.4
133.10126	46.2
135.08052	5.5
135.11681	15.1
137.09610	4.9
141.07025	5.9
142.07840	2.2
143.08551	16.9
145.06467	3.3
145.10121	49.5
146.06047	3.1
147.08020	4.3
147.11688	30.1
149.09616	23.6
149.13258	5.4
151.11215	4.8
155.08551	6.5
157.10132	12.1
159.11690	37.3
160.07597	20.5
161.09586	4.0
161.13216	14.4
163.11189	20.5
163.14835	3.1
169.10181	7.5
171.11655	12.5
173.13232	18.6
175.11176	3.5
175.14870	4.2
177.12775	7.2
179.14340	9.4
183.11682	9.7
185.13277	6.9
187.11124	5.1
187.14853	3.0
189.12807	2.0
191.14314	2.4
192.54659	3.1
195.11702	3.3
197.13240	7.6
201.12834	3.9
202.77052	1.9
203.04733	2.2
203.14284	2.3
213.16473	2.5
215.14308	3.4
215.18015	3.2
219.17416	4.6
224.49384	2.2
229.19572	7.0
233.18976	2.1
239.17972	12.4
247.20605	5.2
257.18982	35.3
275.20053	68.3
285.09995	2.4
293.21161	4.6
303.06381	2.3
331.06055	2.6
331.22906	4.5
349.06851	2.9
349.23761	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.3
53.00283	1.8
53.03945	18.2
55.01868	21.7
55.05510	29.0
57.03194	2.2
57.03433	24.1
65.03934	4.5
67.05505	75.0
69.03414	3.6
69.07067	80.4
69.29768	11.5
69.30182	4.3
71.04979	4.2
79.05490	66.7
81.03419	40.0
81.07053	100.0
83.04979	14.9
83.08620	14.6
85.06550	3.8
91.05479	85.7
93.07040	64.5
95.01328	32.7
95.04966	23.7
95.08602	64.1
97.02881	2.7
97.06531	36.7
97.10165	7.0
98.20753	3.4
99.08057	3.5
103.02142	1.7
103.05431	2.9
105.04499	2.6
105.07027	95.8
107.04950	52.4
107.08590	32.2
109.06509	7.6
109.10142	12.5
111.04526	1.9
111.08054	5.8
115.05441	2.7
117.07021	26.9
119.04947	1.8
119.08576	51.4
121.06483	8.1
121.10119	12.5
123.04410	5.3
123.08078	13.6
123.11691	4.6
125.09610	4.3
128.06183	2.1
129.06966	6.7
131.08559	36.7
133.06516	1.9
133.10127	68.8
135.08057	6.4
135.11674	18.6
137.05971	2.3
137.09619	2.5
141.06989	5.1
143.08539	6.5
145.06508	8.2
145.10120	29.4
147.08000	2.4
147.11678	25.4
149.09621	13.5
149.13249	11.8
151.07454	2.1
151.11197	3.5
155.08565	2.2
157.10135	4.5
159.08093	3.4
159.11685	31.2
161.09554	3.4
161.13272	11.1
163.11180	6.4
163.87770	1.7
165.09108	2.2
169.10133	7.0
171.11670	6.8
173.09576	1.8
173.13264	5.1
177.12747	12.4
179.14282	31.6
183.11639	4.5
185.13234	1.9
187.11176	9.5
187.14752	2.3
195.11612	1.9
195.13718	3.3
197.13225	5.4
201.12657	1.9
205.12242	4.6
215.17955	2.1
227.56635	1.7
229.19345	2.4
233.15482	2.4
239.17899	4.8
247.20512	4.4
257.18951	9.2
267.09009	3.3
275.20059	75.1
285.09985	2.4
349.19861	3.5
349.23779	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
55.01868	19.1
55.05511	50.3
56.96579	2.3
57.03435	28.4
57.07064	3.9
62.03201	2.0
63.54856	2.3
65.03931	3.2
67.05141	4.0
67.05504	79.4
68.22703	2.1
69.03408	7.1
69.07069	58.1
69.45466	18.9
71.04989	5.3
79.05489	95.1
81.03409	7.5
81.07053	87.6
83.04961	12.8
83.08620	15.2
85.02888	3.8
85.06551	3.7
85.58324	2.4
91.05478	85.0
93.07040	66.9
95.04961	17.6
95.08608	50.4
97.06531	28.8
97.10162	15.4
99.04428	3.6
99.08094	4.7
105.07026	87.1
107.04948	27.0
107.08594	87.5
109.02866	3.7
109.06512	20.2
109.10146	28.7
111.08076	6.1
115.05428	2.8
117.07015	25.8
117.43537	2.2
119.08578	62.4
121.06503	8.6
121.10138	27.8
123.08054	12.9
123.11718	4.2
125.05986	3.2
125.09614	16.7
129.06992	9.9
130.07794	4.5
131.08566	42.1
133.06468	4.9
133.10124	55.7
135.08067	12.3
135.11694	19.7
137.09578	7.5
139.11125	2.7
141.07019	4.8
143.08539	10.3
145.06503	4.1
145.10112	62.8
147.11694	39.3
149.09612	34.3
149.13245	10.4
151.11165	6.9
153.12811	2.7
155.08507	6.5
157.10098	10.6
159.08089	4.1
159.11688	34.1
161.09604	4.1
161.13260	13.4
163.11177	17.9
165.09016	2.7
165.12822	3.0
167.70251	2.5
168.09103	2.4
169.10107	9.1
171.11662	11.5
173.11852	4.2
173.13185	14.9
175.11174	3.6
177.12781	5.8
179.14317	8.9
183.11711	9.5
187.11176	5.2
187.14877	4.4
189.11221	7.9
189.12778	2.3
197.13277	7.1
201.12752	3.8
202.95364	2.2
213.16277	2.9
215.14270	2.5
215.18022	3.1
229.19473	5.6
231.08539	2.5
239.17911	16.7
247.07549	4.4
247.20454	4.3
257.18979	42.4
275.07050	3.2
275.20068	87.3
300.27716	2.8
303.06622	6.4
307.05887	3.3
331.05963	9.5
331.19070	3.5
331.22672	4.5
332.23309	2.9
349.07062	7.5
349.19907	10.9
349.23749	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63482	1.9
53.03944	17.3
55.01871	17.9
55.05514	22.3
57.03436	23.1
57.07068	2.2
65.03940	4.3
67.05504	72.5
67.28736	2.2
69.02903	2.0
69.03391	2.9
69.07067	64.4
69.25758	23.2
71.04986	3.5
77.74426	2.1
79.05024	2.6
79.05489	61.6
81.03423	33.8
81.07054	89.9
81.07538	4.3
83.04994	14.3
83.08614	15.3
85.06541	4.6
91.04910	3.9
91.05478	75.5
93.07048	56.3
95.01328	25.3
95.04959	25.4
95.08604	55.4
97.06532	32.9
97.10162	5.7
100.69854	2.0
103.05527	2.3
103.85199	2.1
105.04630	2.5
105.07026	100.0
107.04954	43.8
107.08588	30.0
109.06530	5.9
109.10147	12.7
111.08057	4.9
111.44195	2.0
113.09609	2.4
117.07009	27.1
119.08569	57.2
121.06502	5.9
121.10122	8.5
123.04417	5.4
123.08069	12.3
123.11733	3.2
125.09600	4.2
129.06979	4.0
131.08553	40.6
133.06529	2.5
133.10120	54.2
135.08037	5.4
135.11665	16.6
137.09636	5.3
141.06960	5.4
143.08554	7.0
144.09253	3.2
145.06477	7.8
145.10130	31.3
147.11681	23.1
149.09656	10.5
149.13261	10.7
151.11130	3.7
157.10130	7.0
159.11710	24.4
161.13252	8.5
163.11147	5.9
165.09135	3.6
169.10146	6.7
171.11642	3.9
173.13252	4.9
175.11177	2.8
175.14926	2.7
177.12758	11.0
179.14297	31.1
183.11766	4.7
187.11169	10.1
189.12798	2.3
197.13301	4.7
205.12387	3.1
215.18102	2.8
233.15501	2.2
239.17863	3.0
247.20692	2.9
257.19058	9.4
275.20065	80.8
308.09863	3.0
349.23764	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03944	8.1
54.34800	1.4
55.01869	22.7
55.05507	30.4
55.67881	1.3
56.96527	2.0
57.03197	2.0
57.03432	20.7
57.07058	1.6
65.03938	3.4
65.16070	1.5
65.34046	1.3
67.05502	65.6
69.03429	3.1
69.07066	60.4
71.04982	5.4
71.51902	3.4
72.33749	1.5
75.12633	1.5
79.05488	63.4
81.03412	8.4
81.07050	68.8
83.04978	9.5
83.08613	12.2
85.06518	4.0
91.05473	69.7
93.07038	56.8
93.07635	2.0
95.01327	3.4
95.04957	12.0
95.08602	41.4
97.06526	32.8
97.10152	6.9
97.29105	1.5
105.06310	3.4
105.07024	67.3
107.04954	15.1
107.08588	55.2
109.06505	10.1
109.10149	15.4
111.08054	3.4
113.09643	3.5
115.05424	2.2
117.07009	27.5
119.07713	2.6
119.08574	50.8
121.06509	7.1
121.10133	17.8
123.08078	8.5
123.11686	5.2
125.09604	5.0
128.06178	2.8
129.06981	6.7
130.07780	2.8
131.08560	35.8
133.06563	1.9
133.10121	44.8
135.08054	6.9
135.11678	15.4
137.09589	6.3
141.06961	4.6
143.08534	8.7
144.09396	2.0
145.10110	39.7
147.08041	3.3
147.11674	25.1
149.09595	21.1
149.13277	6.5
151.11194	4.5
155.08534	4.1
157.10097	7.3
159.11684	28.9
161.09630	4.6
161.13252	12.8
161.23280	1.6
163.11143	15.8
165.12665	2.3
169.10098	5.2
171.11719	8.9
173.09593	2.1
173.13243	15.0
175.11214	5.5
175.14883	1.9
177.12727	6.4
179.14301	11.4
183.11729	6.2
185.13252	3.4
187.11182	5.5
187.14867	3.5
189.11250	2.3
191.14339	2.7
197.13260	6.0
205.12259	2.0
211.14789	2.1
213.16409	3.2
215.17960	2.4
229.19485	6.4
239.18008	10.2
247.20526	4.7
257.19006	24.0
275.20050	65.6
303.06525	2.2
307.19788	1.7
331.06052	4.3
331.22675	2.4
349.07111	3.6
349.23727	100.0
350.24124	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01868	7.1
55.05280	1.5
55.05515	20.6
57.03207	1.1
57.03437	15.5
57.07065	2.2
65.03933	1.8
67.05505	39.8
69.03421	3.1
69.07069	25.8
71.04993	1.3
71.12858	3.0
73.65353	1.1
75.18309	1.1
79.05494	36.0
81.03416	3.2
81.07059	43.1
83.04982	9.9
83.08620	7.5
85.06531	3.1
91.05481	34.2
93.07045	40.8
95.04967	11.7
95.08604	26.6
97.06524	5.1
97.10161	6.0
103.05479	1.5
105.07037	37.4
107.04965	13.7
107.08595	37.8
109.06510	13.2
109.10149	14.5
111.08067	4.0
115.05466	1.7
115.51172	1.1
117.07010	13.7
119.08582	23.2
121.06508	14.4
121.10155	15.1
123.08083	5.8
123.11697	3.8
125.09615	3.8
128.45181	1.1
129.06976	4.8
130.07814	1.3
131.08563	25.4
133.06491	3.9
133.10135	26.3
135.08086	6.7
135.11702	7.7
137.09602	4.4
142.07761	1.5
143.08595	3.8
144.09346	2.0
145.06491	2.6
145.10129	28.0
147.08040	5.1
147.11694	18.2
149.09624	11.2
149.13271	4.8
151.11154	7.0
155.08551	3.8
157.10133	5.7
159.08089	3.2
159.11702	12.9
161.09613	5.0
161.13235	6.1
162.63675	1.4
163.07632	1.6
163.11186	8.6
163.14775	1.2
165.12694	2.1
167.07132	1.4
169.10173	3.8
171.11639	6.7
173.09618	1.7
173.11874	1.6
173.13258	7.8
175.03867	1.2
175.11217	2.4
177.05356	1.1
177.12712	4.7
179.14316	2.8
183.11687	5.7
185.13242	1.7
186.08708	1.1
187.11220	2.8
187.14838	2.0
189.11220	2.2
191.14297	1.9
197.13266	3.4
199.14854	1.9
201.12762	3.5
201.16418	1.7
207.13759	3.6
215.18011	1.9
219.13829	4.1
229.15894	1.4
229.19550	2.8
231.17442	1.7
233.15480	1.6
233.18942	2.0
239.17947	7.8
247.20570	4.1
257.19019	22.8
275.06992	1.8
275.20065	100.0
285.09961	1.4
293.21204	6.6
303.06497	2.8
331.05966	4.5
331.22437	2.3
349.06952	5.1
349.20526	1.8
349.23792	38.2
349.31015	1.9
361.90680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0706
Annotation	Daldinone B
Peak:m/z	Relative Intensity
55.01842	0.7
64.07169	0.4
67.05445	0.4
68.99721	0.4
69.31830	0.5
69.32183	3.7
71.04972	0.4
73.85163	0.4
81.03362	0.6
91.05420	0.5
95.08554	0.5
98.21473	0.8
107.08537	0.5
109.02794	0.7
109.10081	0.5
121.02800	0.5
146.05826	0.3
147.83875	0.3
151.03813	0.4
167.06999	0.4
175.08638	0.4
177.06905	0.4
187.03917	0.4
189.06979	0.8
190.07698	1.1
191.08578	2.1
201.06940	0.6
202.07784	2.5
203.08495	1.5
205.06580	2.1
213.06866	0.6
213.10193	0.4
218.07240	1.0
219.08055	6.9
221.05945	1.2
225.05411	0.5
229.06435	3.7
231.06059	0.6
231.08084	7.4
233.05972	1.9
235.07426	0.5
237.05437	1.0
238.05713	0.5
241.06519	0.7
242.07227	0.9
242.09660	0.9
245.06009	0.7
246.06532	0.6
247.07538	16.5
248.07773	0.7
249.05383	1.5
250.06076	0.8
251.06967	1.7
257.05988	4.8
257.08420	0.5
258.06668	2.2
258.08875	0.7
259.07544	4.6
261.05444	3.1
266.05536	2.2
267.05978	0.6
273.05420	0.6
274.06076	1.8
275.06998	18.7
276.07379	1.4
277.04938	0.7
278.05682	0.5
279.06491	2.7
281.04230	0.6
285.05450	4.2
286.06104	1.0
286.08795	2.3
287.06976	4.7
289.04962	3.2
290.08038	0.5
292.06726	0.5
293.07892	0.8
296.06897	1.3
302.05585	1.2
303.06503	46.3
304.06903	5.8
307.05884	0.7
313.04889	2.9
314.05136	0.9
314.08533	2.3
315.06155	0.4
317.06833	1.3
318.04990	0.5
320.06274	1.1
320.09451	0.9
321.07428	2.7
330.04962	1.4
331.05984	100.0
332.06308	27.6
333.06900	0.9
346.04590	1.1
348.06097	3.4
349.06946	55.4
350.07504	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
61.73228	0.4
63.45319	0.3
67.67719	0.3
69.03432	0.5
69.70181	2.2
85.02889	1.3
97.02853	0.7
98.97591	1.1
99.05559	0.6
100.01571	0.3
101.88133	0.4
102.42944	0.4
109.02798	0.5
116.98653	0.5
119.01908	0.4
122.06047	0.9
123.06777	0.9
134.06001	0.7
135.05475	0.6
136.06175	1.1
137.06032	0.4
138.05464	1.6
145.04932	0.4
146.06023	0.7
148.03871	0.7
150.05493	2.0
151.06233	0.8
152.07048	0.5
153.01808	1.0
159.05518	0.5
161.02945	0.5
162.05447	0.8
162.06662	0.4
168.06509	2.5
170.07108	0.6
174.05579	0.4
176.08183	37.8
177.06589	0.9
177.08331	0.6
186.06587	9.6
188.08177	48.5
189.06589	1.7
189.08504	1.4
190.04953	0.5
203.03984	0.5
203.09261	19.3
204.09515	0.7
212.08156	0.5
214.06096	35.7
215.04480	1.9
215.06476	1.5
215.40137	0.4
216.07645	3.3
217.06042	1.0
231.08780	4.4
232.07086	2.9
249.09877	0.6
257.10321	1.5
259.08234	6.7
261.08810	0.5
277.09308	5.4
280.06879	0.5
302.12433	0.5
303.10852	48.2
304.11200	2.5
330.12131	0.5
348.13004	100.0
349.13412	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	348.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01871	1.0
56.96550	2.0
57.03428	2.6
61.02909	2.0
66.03651	1.2
67.03737	1.7
67.76196	0.6
69.03424	7.9
69.13338	0.8
69.95490	0.8
70.06571	0.8
71.50538	0.9
73.02902	1.8
78.56363	0.7
81.03406	2.6
82.99813	0.8
83.01304	0.9
85.02903	12.8
91.03764	1.3
94.06532	0.7
97.02893	6.3
97.04764	1.9
98.97581	7.0
99.04440	1.5
101.00877	8.8
103.02435	0.8
109.02851	1.9
110.97585	0.8
113.00858	3.4
115.02400	1.2
115.03889	0.7
116.98624	2.6
119.01914	22.6
119.02734	1.6
120.02020	0.8
122.06066	1.9
123.06818	1.3
124.07605	0.9
126.05627	0.7
127.03929	5.2
127.05762	1.4
128.98570	0.9
131.00266	0.9
131.01900	14.9
133.03441	4.1
134.06050	1.4
137.02914	2.4
138.05498	4.6
140.02269	1.7
143.00137	1.5
143.01942	4.5
144.99814	1.2
145.01698	0.9
145.03464	2.3
145.04965	3.1
148.03897	1.4
149.02936	3.1
150.05507	2.5
151.06285	1.4
153.01822	0.7
153.02985	1.2
155.01868	3.3
156.05150	0.9
157.03476	1.5
158.99631	1.0
159.01381	0.9
160.05118	0.8
161.01199	0.7
161.02959	5.7
162.03363	1.3
162.06648	0.8
168.05360	1.0
168.06647	7.1
168.99809	6.4
169.06810	7.3
171.05061	1.1
172.05217	1.0
172.99323	0.9
173.02957	5.0
173.04617	0.9
174.03104	1.2
176.08194	38.3
176.56163	3.4
177.00777	1.2
177.02687	1.4
177.04161	11.4
177.05945	2.2
177.54288	1.2
180.99751	0.9
185.02928	1.2
186.04677	13.5
186.06599	10.1
186.07906	1.7
186.54880	1.4
187.00899	8.9
187.04593	1.5
187.07881	7.6
188.08183	47.6
189.06552	1.2
189.08440	1.0
191.04028	1.7
196.99318	3.8
197.55507	1.7
199.00908	4.5
201.02457	1.2
203.04004	1.4
203.09276	20.1
205.08987	3.1
209.03218	1.1
213.00273	0.8
213.02438	1.3
214.06108	36.0
215.00359	17.5
215.02313	1.3
215.04433	2.8
215.06456	1.5
216.07726	3.5
217.02022	1.1
219.01677	1.5
219.03633	1.6
221.05104	1.5
227.04341	1.5
229.01961	6.5
231.03526	1.7
231.08702	4.6
232.07220	2.8
233.01314	1.0
239.06119	1.4
241.01939	1.8
245.01456	1.3
245.05119	1.8
247.02986	20.0
257.10233	1.7
258.06851	3.1
258.57166	1.4
259.02985	4.3
259.08322	7.0
267.07178	5.6
270.04541	1.0
277.03961	1.1
277.09286	5.4
279.04022	0.9
289.04074	2.6
303.10867	45.7
304.11169	2.1
317.03574	1.0
348.13028	100.0
349.05206	1.4
349.09308	3.4
349.13083	7.2
351.11365	1.7
352.05215	0.9
352.11594	2.3
353.07510	3.0
353.11411	2.3
371.08502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
56.05016	5.1
56.96569	9.5
57.03426	3.0
61.02914	6.8
63.65461	2.6
67.05470	3.6
69.03426	10.8
70.06586	2.6
71.49241	3.2
71.89719	2.1
72.07979	1.8
73.02919	3.7
81.03396	5.8
84.08120	2.2
85.02905	20.8
86.22353	1.8
94.06557	10.5
95.01293	1.7
95.07348	1.8
97.02889	13.1
98.97575	16.4
101.00855	7.0
101.41505	1.8
104.04185	2.0
106.06520	7.6
108.04452	2.7
108.08100	8.0
109.02846	4.1
110.05999	7.2
110.97534	3.1
113.00848	3.0
115.97052	2.1
116.98597	7.6
119.01915	13.4
120.01952	2.7
122.06023	37.2
123.06802	33.5
124.07599	10.9
127.03893	6.4
128.98601	2.9
131.01878	7.9
132.05070	2.4
132.14667	1.8
133.03458	5.4
134.06039	5.6
136.06168	2.9
136.07564	6.1
136.99548	1.9
137.02852	2.7
137.08331	3.9
138.05499	91.4
140.07010	5.7
143.01857	5.5
145.03458	2.4
146.03580	2.3
150.05493	72.8
151.06287	36.5
152.07069	26.6
153.01808	2.1
153.07884	2.9
155.01886	3.7
157.03510	2.4
158.99641	4.4
161.01132	2.2
161.03006	4.3
162.03085	2.4
166.08673	2.5
168.06566	100.0
168.99829	3.0
169.07167	5.2
169.26881	2.0
170.08078	3.3
170.35916	2.3
171.05074	2.5
173.02873	6.6
174.06113	4.5
176.08258	10.6
177.00681	5.4
184.09718	2.6
185.02904	2.6
186.06142	6.5
186.07585	22.9
187.00850	5.9
187.02605	3.1
187.04482	3.0
188.08191	12.6
189.06158	2.7
203.04039	4.4
203.09218	4.5
210.06058	3.0
212.04456	2.4
214.06113	7.7
215.00371	8.8
216.07365	2.1
219.01712	6.6
221.05048	5.0
222.05229	2.5
229.01952	2.5
237.02782	5.2
247.02998	8.5
258.08124	7.4
259.06461	4.8
261.08255	3.3
274.11606	2.0
276.09329	6.3
288.09149	4.9
289.07504	2.1
302.12277	5.4
303.01370	6.3
303.10925	10.2
306.10260	2.9
317.07214	2.4
330.11868	15.9
348.12833	84.2
348.16968	5.4
349.09045	2.9
349.13403	3.5
350.12769	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	347.17
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
51.68265	1.4
53.03945	4.2
55.01853	3.3
55.05499	4.9
57.03420	3.3
57.07084	2.0
59.04988	6.3
63.31432	1.4
67.05492	11.1
69.03429	9.7
69.07063	8.8
70.77343	3.3
71.04997	23.6
79.05486	15.3
81.03419	12.5
81.06601	3.0
81.07057	49.0
83.04992	3.9
83.08605	2.5
85.02908	10.7
85.06525	5.7
91.05462	7.6
93.07055	14.8
95.04980	13.7
95.08601	19.9
97.02902	4.4
97.06524	11.4
97.10154	3.7
99.04449	2.3
105.07022	10.3
107.04942	6.2
107.08575	12.9
109.02885	8.2
109.06543	5.0
109.10146	3.7
111.11725	1.6
117.06978	1.6
119.08578	4.5
121.06504	5.3
121.10142	100.0
122.10403	2.7
123.08073	2.9
123.11700	34.3
125.05976	15.4
125.09619	18.1
127.03930	4.8
128.06192	2.1
129.06969	4.2
131.04924	1.9
131.08545	3.4
137.05952	4.4
137.09515	1.7
139.11177	30.6
141.07021	1.7
143.10675	36.7
145.10095	2.0
147.04407	4.0
147.08075	2.3
149.05991	3.5
149.09621	11.1
151.03865	2.3
157.06442	2.8
161.05974	2.6
167.07033	10.8
167.10674	39.3
175.07559	7.1
179.07014	1.6
181.06427	2.1
181.08563	4.7
183.02913	1.6
185.11725	14.6
195.08000	1.7
199.07584	7.9
251.14528	1.8
267.65201	1.6
269.08151	2.4
301.10654	2.5
311.15024	7.9
319.06271	2.1
329.16086	8.5
332.05154	2.3
347.07547	7.4
347.11212	3.6
347.16910	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	347.1698
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03945	2.6
55.01851	3.2
55.05500	7.4
57.03415	2.0
57.07070	2.2
57.35024	1.7
59.04994	3.5
60.04512	2.7
67.05510	9.6
69.03416	13.3
69.07067	11.2
71.04985	22.1
71.50895	2.6
79.05489	16.1
81.03413	10.3
81.07050	45.1
83.04980	3.9
84.18803	1.7
85.02908	10.6
85.06538	5.7
91.05472	8.9
93.07036	22.8
95.04966	9.7
95.08582	22.4
97.02886	8.2
97.06510	11.5
97.10172	4.1
99.04424	2.7
105.07019	14.0
107.04968	3.7
107.08581	13.3
109.02874	10.1
109.06499	3.2
109.10127	4.6
111.04424	2.8
111.08079	3.3
115.05457	2.0
117.06979	2.1
117.90237	1.7
119.08561	8.7
121.06497	2.7
121.10133	100.0
123.04456	1.9
123.08051	4.4
123.11696	27.2
125.05997	14.1
125.09593	14.2
127.03886	4.2
129.07014	2.1
131.04932	3.9
131.08572	3.9
133.10094	2.5
135.04420	2.1
135.08028	2.3
135.11678	2.0
137.05939	3.2
137.09612	3.1
139.11165	24.8
142.07680	1.8
143.08534	4.7
143.10658	23.3
145.04904	1.8
145.06503	1.8
145.10114	4.8
145.37263	1.6
147.04286	2.3
147.11697	2.5
149.05954	2.3
149.09589	10.8
150.84476	1.7
151.07553	2.2
155.08524	2.2
157.10107	4.1
159.11662	4.4
161.05910	2.2
161.13217	2.7
162.69275	1.7
167.07016	2.4
167.08487	2.3
167.10678	39.4
171.08029	3.8
173.13188	2.3
175.07524	3.0
179.03369	2.3
179.08409	1.7
185.05936	4.9
185.11758	20.0
185.13266	3.0
188.26056	1.7
199.07571	12.0
203.06993	2.3
227.07010	2.9
269.54654	1.7
287.09109	2.3
311.14832	9.2
329.16113	8.7
329.21106	3.8
332.05365	3.0
347.04871	1.6
347.07510	5.6
347.11279	3.2
347.17484	3.1
347.22153	4.5
347.26080	4.5
348.06494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01857	7.9
55.05505	29.1
57.03425	14.2
57.07063	3.6
59.04991	5.3
60.54834	2.3
65.03938	4.0
67.05499	21.3
67.07635	2.2
68.30464	2.8
69.03429	11.8
69.07063	23.3
71.04991	14.7
71.52027	3.4
77.03887	2.7
79.05484	26.9
81.03415	5.9
81.07055	42.9
83.04977	29.9
83.08616	11.3
83.95296	2.2
85.02922	3.4
85.06554	5.5
85.95340	2.4
91.05476	30.6
93.06476	4.4
93.07039	45.8
95.04970	14.8
95.08601	32.0
97.06516	14.9
97.10165	6.6
99.08080	3.2
105.07024	31.6
107.04947	11.0
107.08592	59.2
109.02894	5.5
109.06503	15.2
109.10161	16.3
111.04479	2.3
111.08060	12.2
113.00528	3.2
117.07011	2.7
118.07834	2.8
119.08575	43.3
121.06523	17.5
121.10144	60.7
122.07272	7.3
123.08044	11.9
123.11679	16.0
125.06016	7.5
125.09632	20.1
128.06235	3.5
129.06966	3.8
131.08560	29.4
132.99536	3.1
133.06505	3.5
133.10120	29.5
134.10901	4.0
135.04533	2.7
135.08072	26.2
135.11691	9.6
136.08809	3.7
137.05988	5.1
137.09599	8.2
139.11143	15.4
143.08479	3.7
143.10663	16.7
145.06490	3.1
145.10161	12.2
147.11655	7.8
149.05988	2.4
149.09612	45.1
149.13225	12.4
151.11211	4.9
156.09363	2.8
157.06465	2.8
159.11757	5.6
161.05974	4.0
163.03860	2.8
163.11092	3.0
163.14783	11.0
165.05582	2.4
167.06992	2.6
167.10669	18.4
167.14351	7.1
171.08063	4.5
173.13232	28.2
175.07512	3.0
177.12749	8.4
184.05281	3.6
185.05907	5.4
185.11699	5.6
191.14307	100.0
192.15089	30.9
199.07573	18.7
209.15428	7.4
227.06996	9.5
241.08615	3.2
245.08186	4.2
247.56578	3.2
319.05920	3.4
329.09735	2.8
329.14233	5.2
347.05795	3.8
347.11002	10.3
347.15283	37.6
347.21857	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	347.1697
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
52.22965	1.4
53.03915	3.1
53.73095	1.5
55.01860	5.1
55.05492	5.3
57.03417	1.9
57.07052	1.9
59.04996	8.3
60.70324	1.4
67.05496	9.2
67.21764	1.4
69.03430	13.1
69.07069	9.6
71.04993	21.4
71.43118	3.0
73.06532	1.7
79.05489	14.7
81.03416	7.8
81.06603	2.5
81.07053	42.4
83.04964	4.0
83.08597	2.3
85.02917	11.0
85.06516	6.7
91.05447	4.5
93.07027	15.2
95.04980	12.3
95.08607	22.3
97.02879	9.3
97.06525	12.5
97.10159	4.6
99.04470	2.6
102.52048	1.7
105.07028	6.8
107.04938	2.7
107.08593	17.7
109.02853	5.6
109.06516	4.9
109.10152	2.5
111.04435	1.9
111.11696	1.9
117.07032	1.7
119.08581	4.5
121.06502	4.0
121.10139	100.0
123.04436	3.2
123.08054	2.8
123.11703	33.9
125.05976	14.2
125.09628	21.7
127.03891	6.4
130.06557	1.7
131.08566	3.7
133.10095	1.6
134.38432	1.5
135.08020	1.8
137.05960	3.0
139.11188	28.1
143.10666	38.8
145.04950	2.4
147.04410	2.8
149.05945	2.1
149.09636	10.2
153.05377	2.2
157.60229	1.5
163.03963	1.6
165.05428	3.9
167.10678	55.7
167.12103	3.2
173.13271	2.0
177.22806	1.6
185.11705	16.0
187.16901	1.9
191.14308	3.6
209.08072	3.4
257.13815	1.7
278.78174	1.7
311.09570	1.7
311.14862	6.8
329.10815	1.6
329.15811	5.1
347.10574	3.3
347.15970	3.5
348.06555	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	347.1699
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03949	2.1
55.01875	1.6
55.05502	4.5
57.03425	1.2
57.07070	3.2
59.05011	6.7
60.04514	2.3
65.03937	1.3
67.05502	10.5
69.03426	10.6
69.07063	9.9
71.04990	20.1
71.50647	1.5
73.06535	0.9
79.05491	13.4
80.67694	0.9
81.03431	7.0
81.07053	46.6
83.04971	3.3
83.08611	2.2
85.02919	5.0
85.06531	5.0
91.05460	5.2
93.07045	16.9
95.04967	16.6
95.08609	18.4
97.02898	5.7
97.06538	13.6
97.10168	4.0
99.04434	1.2
103.05501	1.5
105.07032	9.0
107.04951	5.1
107.08588	14.2
108.05260	1.1
109.02853	11.1
109.06534	2.3
109.10168	2.3
111.04435	1.6
111.08078	1.2
111.11721	1.6
115.03973	1.4
117.07015	1.3
119.08581	3.0
121.06492	3.2
121.10138	100.0
122.10453	2.3
123.08058	4.2
123.11696	31.2
125.05997	11.7
125.09624	23.8
127.03946	5.5
131.08519	1.9
132.69559	1.0
137.05994	2.6
138.09090	1.6
139.11180	25.9
140.11577	1.0
143.10663	40.6
149.05998	1.2
149.09618	9.2
167.07007	1.2
167.10677	40.3
185.11703	10.0
221.32672	1.0
311.14917	2.7
329.09808	1.1
329.16040	4.5
331.06122	1.4
347.10941	1.9
347.16953	3.6
347.26126	1.9
348.06165	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	347.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.0
58.65247	1.2
64.43491	1.0
69.14087	1.1
69.74303	6.1
74.47880	1.4
75.32209	1.2
77.39833	1.2
85.02909	1.7
93.07016	1.2
97.02876	1.5
98.05802	1.1
105.06992	1.7
137.05972	1.6
139.69107	1.2
151.49451	1.2
185.04324	11.9
185.07849	100.0
186.08133	1.9
221.05017	2.8
255.47348	1.2
275.09735	1.5
301.02347	2.4
303.03824	1.9
347.02985	4.1
347.09543	2.1
347.13104	13.5
347.16754	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01871	3.7
55.05518	2.5
57.03426	6.2
59.04968	1.8
60.24638	1.7
61.02934	10.3
61.51529	1.7
65.35402	1.7
67.05537	1.8
69.03088	2.4
69.03431	23.8
69.41460	16.9
70.06583	6.7
71.04987	3.6
73.02914	3.8
79.05514	2.8
79.79900	1.8
81.03436	10.3
81.07034	4.8
85.02907	100.0
85.06553	2.7
86.09692	8.1
91.03967	5.7
91.05463	3.5
93.07047	3.5
95.04951	3.0
95.08635	2.7
97.02906	24.1
97.06521	3.0
99.04448	5.7
103.03931	2.1
105.07021	2.8
107.04956	71.6
108.05296	1.6
109.02893	9.9
110.09689	2.4
111.94270	1.9
116.07102	5.1
119.04964	2.4
121.06496	3.9
121.10156	7.7
123.04435	5.8
123.11740	2.9
127.03900	20.9
132.52948	1.8
137.05989	2.3
138.09099	5.2
139.03931	5.0
145.04955	37.9
147.04366	3.3
148.04745	3.1
149.05998	25.2
153.06970	3.4
155.03363	4.6
163.06020	4.8
166.08624	10.7
167.07054	8.8
167.08488	3.8
167.10602	1.9
171.08093	2.7
173.05977	4.2
177.06992	4.1
179.07106	2.0
180.08669	12.0
184.09685	5.7
191.08553	4.4
194.07239	1.9
195.08014	7.0
199.07327	2.3
214.02278	1.8
215.06969	6.8
219.08086	5.9
223.07487	5.3
233.08076	5.9
237.09158	8.4
241.08589	3.9
254.11684	2.7
257.08173	3.7
272.10498	5.7
275.09106	3.1
283.09573	16.8
287.09085	4.7
300.12341	11.3
329.10214	8.9
346.02689	3.9
346.13150	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	347.1026
Annotation	6-Iminosanguinarine
Peak:m/z	Relative Intensity
53.75632	0.4
55.01869	0.7
55.05500	1.2
61.02903	0.6
67.05489	0.7
69.03416	1.0
69.07056	0.7
70.36313	0.4
71.04975	0.6
71.51492	0.5
79.05483	1.3
81.03416	1.4
81.07047	2.9
83.04970	1.1
85.02894	0.7
85.06513	0.5
91.05479	1.6
93.07031	2.9
95.04973	1.7
95.08605	1.6
97.06541	1.3
99.04423	0.7
100.11266	0.8
103.05508	0.7
105.07017	1.6
107.08575	1.2
109.02867	2.2
109.10146	1.1
111.04408	1.1
114.09154	0.8
117.07021	0.6
119.08591	1.0
121.10140	4.1
123.04419	1.3
123.08054	0.6
123.11718	1.0
125.02360	1.2
125.05995	0.8
127.03875	0.6
129.07014	0.7
130.15895	0.6
131.04922	2.2
131.08559	1.1
133.10130	0.6
136.03967	0.7
137.05951	0.5
139.11151	1.4
143.10719	1.2
145.10071	0.7
146.06023	4.5
148.03922	1.7
149.09586	0.5
151.03886	1.4
153.05437	1.7
153.06757	0.5
157.06500	0.5
157.10152	0.8
159.04404	2.5
161.05943	0.7
162.05507	3.9
166.02721	0.5
167.03406	9.8
167.10693	1.5
170.05977	1.0
171.08052	0.9
174.05502	6.9
179.03424	1.4
182.06021	1.3
182.15416	0.8
185.05951	1.0
185.11758	1.1
186.05495	5.1
189.06592	1.7
193.04890	0.7
197.04393	0.8
198.05496	1.1
199.05986	2.7
199.07602	2.0
212.06996	1.4
213.06686	1.2
214.04961	0.8
219.06496	1.1
220.07355	1.4
222.05165	1.0
229.06169	1.0
230.05817	0.6
231.06543	1.8
233.04414	4.1
246.09125	1.8
247.06042	2.3
248.07030	1.3
255.09087	0.6
256.07538	1.4
257.04382	0.9
258.05319	1.4
259.05991	2.6
262.08566	0.6
269.07758	0.5
272.09363	0.9
273.07712	1.3
273.10306	2.1
274.08606	2.0
275.05435	1.1
276.06409	1.1
278.08096	0.8
283.08588	2.9
284.06836	0.9
285.07712	0.6
286.08072	0.7
287.05530	2.7
287.08350	0.8
289.03345	1.0
290.08105	1.4
291.11279	3.0
300.09003	2.3
301.09747	11.6
301.17957	0.6
302.07965	5.6
303.04907	2.1
303.07819	1.6
304.05850	2.1
304.08777	0.9
305.09192	1.2
311.08218	2.4
312.05988	0.5
314.07132	0.6
315.04907	5.1
317.02893	1.0
317.09158	2.5
318.07181	1.0
319.10788	19.2
320.11258	0.8
329.09229	13.9
330.07373	5.6
332.04843	9.1
332.07980	2.0
345.08646	1.8
347.07199	18.7
347.10800	100.0
348.06970	1.2
348.11020	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
56.05033	2.8
56.96563	3.3
57.03434	3.1
60.71476	0.5
61.02902	2.3
61.07489	0.5
62.76148	0.5
69.03423	4.7
70.06567	0.7
71.04987	1.0
71.50938	0.9
73.02896	1.9
79.08375	0.6
80.04998	0.6
81.03415	2.7
85.02911	7.7
87.04452	1.9
93.06994	0.7
94.06548	0.6
95.04904	0.6
97.02884	4.7
98.97565	4.0
99.04437	1.4
101.00873	1.7
107.04928	0.5
108.08093	2.6
109.02850	1.5
109.08850	0.8
110.09668	1.4
110.97498	0.9
111.04391	0.9
112.99165	0.6
115.02456	0.9
115.03947	0.6
116.98601	2.0
119.01906	2.3
120.08109	1.0
121.01730	0.6
122.06029	0.7
122.86629	0.6
122.90240	0.6
123.06793	1.6
124.07553	0.8
127.03871	2.3
128.98589	1.3
131.01886	1.4
133.05093	0.7
134.06012	1.2
136.07578	13.7
137.08374	10.7
138.05490	3.3
138.09138	3.1
143.01958	1.2
145.03391	0.9
145.04996	1.0
148.03839	1.0
148.07553	9.1
149.04315	1.1
150.05560	1.3
151.06200	0.6
152.07051	3.1
153.07835	1.6
154.08649	1.3
155.01920	1.0
157.03491	0.9
158.99631	0.9
159.03189	0.6
159.05042	0.6
161.02939	1.7
163.04448	0.8
166.05000	2.8
166.08636	44.2
167.05365	1.7
167.09093	0.6
169.03427	0.7
171.05083	0.8
172.94319	0.6
173.02914	0.9
183.07658	0.9
184.09685	100.0
185.03009	0.9
185.10036	1.9
203.04053	1.1
205.05939	0.7
208.99757	0.6
212.07213	0.8
214.08258	2.7
219.01801	1.7
221.05170	1.2
227.07454	2.0
232.96382	0.7
237.02805	1.4
245.05078	1.3
256.07053	0.8
261.08237	0.7
279.09351	0.9
285.95352	0.6
316.14075	0.6
328.10202	0.9
328.13681	0.7
346.11447	1.9
346.14975	44.5
347.15375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68146	0.9
55.01864	0.9
69.03416	1.9
69.07068	1.1
70.06590	6.2
70.80452	2.6
75.76618	0.7
81.03410	1.2
85.02902	6.8
86.09713	6.7
91.05451	1.2
97.02886	2.1
103.05506	0.9
107.04932	4.4
109.02872	1.1
116.07086	5.5
121.10126	0.9
127.03875	1.2
138.09105	2.6
143.08588	1.3
145.04962	2.4
148.07562	1.8
149.05936	2.1
152.06213	1.8
153.06993	9.2
165.06956	6.0
166.08804	6.3
167.07117	1.9
167.08548	26.0
171.08026	12.7
177.05440	1.4
177.06979	22.5
178.07733	6.2
179.08545	4.4
180.09233	0.8
181.06451	3.0
181.10086	0.9
182.07188	1.2
183.08049	2.1
184.09726	1.4
189.07021	1.1
190.07794	1.7
191.08553	20.3
193.10095	2.9
194.07251	7.9
195.08047	52.6
197.09616	2.1
199.07536	14.2
202.07770	2.8
203.08551	2.2
205.06244	1.7
205.07878	1.5
207.08038	5.9
208.08873	4.3
209.06090	0.9
209.09590	5.3
213.09070	2.8
218.07185	1.1
219.08046	37.8
220.08789	1.1
221.09631	3.3
223.07544	23.6
225.09038	2.3
227.07062	9.3
229.07661	1.6
235.07478	1.2
237.09100	45.4
239.10646	1.5
240.10356	1.0
241.08588	42.5
247.07561	2.5
251.07111	3.7
252.10266	0.8
254.11798	4.2
255.10252	0.8
259.09616	2.8
265.08636	7.3
269.08041	4.7
283.09631	100.0
283.37698	0.8
284.09995	2.5
287.05914	1.7
287.09122	26.7
300.02332	1.4
300.12308	46.4
311.09189	2.7
324.12366	1.1
329.10181	56.4
341.11404	2.2
346.02701	1.6
346.12766	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	345.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
54.13015	0.7
55.01868	1.4
55.05501	2.9
57.03423	1.6
57.07063	1.8
59.04995	10.2
61.02924	1.7
67.05501	11.4
69.03427	13.4
69.07065	15.0
71.04976	3.0
71.50264	1.0
71.50647	0.8
73.02892	1.3
79.05492	5.6
81.03422	4.8
81.06596	1.5
81.07053	24.5
83.04968	4.8
83.08600	1.0
85.02899	10.4
85.06540	4.2
91.05485	4.8
93.07051	4.9
95.04964	4.7
95.08604	20.0
97.02879	4.0
97.06504	6.7
99.04428	4.8
99.08084	13.0
103.05448	0.9
105.07017	6.3
107.04997	4.1
107.08598	6.7
109.02892	10.6
109.06518	6.3
109.10152	17.4
111.08064	1.3
113.06008	1.4
117.07003	1.0
119.08575	10.3
121.06467	1.8
121.10149	17.4
122.09636	1.5
123.04504	1.0
123.08066	24.0
123.08962	1.2
123.11679	5.8
125.05977	1.8
125.09634	10.1
127.03890	2.6
127.07574	3.0
129.07028	1.2
131.04945	1.0
133.06551	1.3
133.07507	0.7
137.02408	0.7
137.05972	7.5
137.09612	14.9
137.13220	1.4
139.03931	1.1
139.11174	10.0
140.21796	0.9
141.09100	6.8
145.04938	1.2
145.10126	1.2
147.04341	0.9
147.08017	3.0
147.11705	2.3
149.05959	1.9
151.07487	1.0
155.10689	1.5
161.05962	3.4
162.05460	0.9
163.07661	0.8
165.06964	1.5
165.09084	10.5
165.12772	4.8
167.07065	1.9
179.07062	1.0
181.06448	0.8
183.10242	11.5
183.13802	100.0
188.04617	1.1
191.07045	1.7
193.06454	1.0
199.04010	1.1
201.11293	1.5
203.05222	1.9
203.07007	1.4
204.06483	1.2
211.07465	1.0
215.03511	1.5
221.06007	1.4
221.07971	1.0
225.09129	2.1
227.03458	1.0
238.06107	1.2
239.06900	1.1
245.08083	1.0
253.08385	4.1
267.10083	1.0
271.02213	0.9
285.11230	5.9
295.09680	1.0
299.01871	2.2
299.09097	1.1
301.03418	2.0
313.10751	1.2
327.01450	1.5
327.05078	0.9
327.08765	1.4
327.11902	4.4
345.02365	6.7
345.06265	1.3
345.13873	4.4
345.18945	1.0
364.80957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
52.08395	1.2
53.03930	4.8
53.62921	1.2
53.73732	1.2
54.26568	1.4
55.01857	1.6
55.05502	3.4
57.03419	1.8
59.04998	48.2
61.02909	3.6
65.03909	2.6
67.05184	2.2
67.05503	27.5
69.03091	1.8
69.03432	23.6
69.07065	9.7
71.04983	2.7
73.12444	1.3
79.05492	13.7
81.03403	5.7
81.07055	12.4
81.50518	1.4
83.04945	4.4
85.02901	9.5
87.04455	2.3
91.05488	9.6
91.88558	1.3
93.07051	9.5
95.04971	8.3
95.08602	55.3
96.08936	1.7
97.02885	6.2
97.06519	18.9
98.20803	2.9
99.08084	2.1
103.05448	2.6
105.07027	10.7
107.04926	8.9
107.08602	3.1
108.05743	1.8
109.02876	47.3
109.06506	1.5
109.10152	61.6
110.10456	1.8
111.04394	1.5
115.96236	1.5
117.06992	1.9
119.04839	1.1
119.08585	28.8
120.08927	1.7
120.85179	1.4
121.06540	1.5
121.10140	29.0
123.04417	2.9
123.08062	100.0
124.08415	1.9
125.06017	7.2
125.06750	1.3
125.09624	3.7
126.01484	1.3
127.03899	5.5
131.04874	2.2
135.04391	2.4
135.07950	2.0
137.05940	7.8
137.08556	2.5
137.09608	51.7
139.11162	7.5
141.09081	30.6
147.08018	9.3
147.11694	2.5
149.05978	1.8
150.83537	1.4
151.07401	1.6
153.05441	2.5
155.10625	2.9
161.05992	5.4
163.03867	2.8
163.07574	2.2
165.06995	3.2
165.09094	49.0
167.07037	1.9
169.59898	1.4
172.82988	1.4
175.07507	1.6
181.04979	2.7
183.10155	48.0
191.03351	17.4
191.07021	1.8
193.06448	3.0
201.11278	2.0
203.07027	3.1
203.10583	2.0
210.06723	2.7
221.05954	3.7
224.08276	1.8
225.09085	4.7
235.07507	1.3
238.06064	1.7
253.08583	10.6
263.06552	1.6
267.10132	3.7
285.11176	17.9
295.09650	2.6
299.01923	1.6
299.09283	2.2
309.10968	1.8
313.10471	1.5
327.11935	12.4
345.02377	2.7
345.06076	2.5
345.09671	2.0
345.15637	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	345.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.5
55.01855	4.5
55.05496	5.7
57.03428	3.5
59.04720	2.7
59.04999	41.4
61.02889	2.1
65.03942	2.9
67.05506	27.1
69.03085	2.5
69.03429	26.2
69.07065	12.5
69.96838	9.2
71.04979	4.8
79.05490	13.4
81.03413	12.4
81.07059	19.7
83.04991	4.2
83.08593	1.6
85.02901	12.0
86.38927	1.7
91.05489	10.3
93.07037	14.1
95.04951	9.6
95.08607	61.7
97.02885	6.5
97.06525	21.2
99.04468	3.0
99.08080	2.8
103.05463	1.9
105.07030	16.8
107.04932	7.0
107.08571	5.7
107.99866	1.6
108.05733	2.9
109.02875	50.8
109.06498	3.5
109.10154	59.7
111.04404	7.4
111.08088	2.7
112.97827	1.5
117.07047	4.0
119.08578	35.3
121.06480	4.5
121.10145	35.9
123.08064	100.0
123.11727	2.3
124.08384	2.2
125.05990	4.7
125.09595	4.5
127.03902	5.5
128.06213	1.9
129.07001	3.1
131.04912	3.4
131.08504	2.8
135.08038	1.7
137.06024	12.2
137.09608	46.6
137.13205	1.7
139.03882	3.1
139.11154	6.8
141.07043	2.3
141.09091	21.4
143.08582	3.2
145.06479	2.4
145.10068	4.1
147.08052	10.7
147.11664	2.6
149.09642	2.6
151.03920	2.6
151.07530	3.9
153.07034	2.8
155.08527	2.8
157.06450	2.1
157.10152	4.5
159.08040	2.5
160.08745	1.7
161.05951	2.8
163.07596	1.9
165.06985	3.8
165.09120	41.1
165.10538	2.4
165.12677	2.0
167.03355	2.4
173.09517	2.1
175.07448	2.4
177.05389	1.6
178.07809	2.5
179.08519	2.3
181.06496	3.5
183.08353	2.5
183.10164	31.9
183.11635	2.0
187.07500	1.8
188.08275	3.1
189.09036	1.7
191.03371	4.1
191.07043	3.3
194.08942	1.5
197.05905	2.5
198.06718	2.1
201.11203	3.4
211.07469	5.4
211.11086	2.0
223.07526	1.8
226.06308	2.0
238.09912	2.1
239.06999	5.4
239.10591	3.6
240.07745	3.9
241.08546	3.2
243.06471	4.1
249.09048	1.6
253.08621	3.7
256.07260	2.1
267.10104	8.3
268.07303	4.0
269.08075	5.9
284.10495	3.0
285.11096	4.1
295.09708	3.2
296.10443	2.7
299.09161	19.2
299.12549	3.4
309.13452	2.2
313.03381	3.2
313.10684	7.1
327.11801	13.4
345.06152	4.8
345.09454	4.0
345.13354	7.1
345.15402	7.0
345.20679	4.8
345.24393	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	345.1541
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03943	4.3
55.01859	1.8
55.05508	3.4
57.03423	2.4
59.04996	49.5
61.02916	3.7
65.03906	1.2
67.05501	25.0
69.03424	26.6
69.07058	10.8
69.58923	2.2
69.59335	6.5
71.04985	5.3
73.02905	1.2
79.05495	11.8
81.03428	7.3
81.07057	14.8
81.61060	1.2
83.04977	4.0
85.02901	11.3
85.06519	1.5
87.04436	1.3
88.17692	1.3
91.05471	7.4
93.07039	12.2
95.04984	8.7
95.08602	64.1
97.02898	5.5
97.06523	21.3
98.20819	1.4
99.04460	2.7
99.08133	2.9
103.05456	1.7
105.07018	11.0
107.04935	9.1
107.08582	4.4
109.02873	43.9
109.06528	3.3
109.10152	54.0
115.05431	1.9
117.07017	1.9
119.04987	1.1
119.07335	1.5
119.08575	30.0
121.06498	2.6
121.10132	31.9
122.03646	2.8
123.04488	1.3
123.08060	100.0
123.11713	1.6
124.08416	1.7
125.05952	6.4
125.09622	5.0
127.03912	4.5
131.04890	2.1
133.10152	1.6
137.05977	31.8
137.09608	44.2
137.50554	1.4
138.09996	1.5
139.11188	5.1
141.09094	22.9
143.04848	1.3
145.10178	1.3
147.04396	2.5
147.08029	11.2
149.05994	2.2
151.07523	1.3
153.01816	2.3
155.10526	1.6
161.06010	2.2
165.07025	2.1
165.09103	52.4
165.12813	1.6
166.09456	1.7
167.07025	2.0
167.10753	1.4
175.03941	5.4
183.10164	48.6
183.13748	8.2
185.70628	1.3
190.05316	1.4
193.06502	1.7
201.11221	3.2
203.10670	1.4
207.08093	1.4
221.05989	2.0
224.08708	1.5
235.07590	1.9
237.05312	1.4
253.08492	3.1
255.06454	1.3
277.08661	1.5
285.11340	3.2
287.74677	1.2
291.12646	1.2
301.03516	1.5
313.10608	2.1
327.04941	1.5
327.14294	3.9
345.02435	3.5
345.09543	2.5
345.15677	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	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03955	2.9
53.35140	1.5
55.01860	2.1
57.03421	2.0
57.69366	1.3
59.04999	45.1
60.14466	1.1
61.02920	3.4
67.05506	17.6
69.03426	22.2
69.07064	10.1
69.72066	2.0
69.72466	6.8
70.06603	2.0
71.04980	4.8
72.70576	1.3
79.05499	13.1
81.03394	5.8
81.07056	14.3
83.04944	1.9
85.02914	8.1
88.00285	1.3
91.05482	6.5
93.07040	8.6
95.04954	8.3
95.08605	56.5
96.08889	2.1
97.02878	5.3
97.06536	16.7
97.10128	1.7
99.04431	1.9
99.08061	2.0
103.05466	2.2
105.04544	1.4
105.07023	10.7
107.04931	9.6
107.08611	3.8
108.05735	2.3
109.02875	47.8
109.10153	53.2
110.03112	1.4
117.06982	1.7
119.08582	31.4
121.06506	2.6
121.10142	33.7
123.08062	100.0
124.08421	3.5
125.05990	5.6
125.09601	4.0
127.03897	5.8
131.04921	2.4
133.06485	1.4
135.07973	1.5
137.05992	4.6
137.09615	54.5
139.11179	2.8
141.09097	26.0
147.08043	10.4
151.03944	1.5
165.09111	51.6
183.10172	51.5
191.03447	1.5
191.06967	2.2
199.03848	1.3
201.11255	2.6
203.10667	1.7
235.07471	1.6
253.08688	2.1
285.11139	2.2
299.09045	1.8
309.13184	1.8
327.14697	2.3
345.02371	3.0
345.06052	2.8
345.15695	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	345.1543
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03949	6.4
54.62489	1.2
55.01866	2.5
55.05510	2.3
57.02626	1.3
57.03415	2.2
59.04720	2.6
59.05001	50.1
61.02932	2.3
63.51607	1.4
65.51058	1.3
67.05502	25.9
69.03426	22.3
69.07069	9.8
70.68276	3.3
71.04987	5.3
73.02898	1.8
75.35354	1.7
79.05492	12.9
81.03410	7.6
81.07058	10.0
83.04964	3.1
85.02905	7.8
91.05479	8.6
93.07030	9.8
95.04963	11.1
95.08604	59.3
97.02888	5.8
97.06522	18.6
99.04473	2.0
99.08081	2.3
103.05450	3.7
105.07031	13.2
107.04945	6.2
107.08551	3.6
108.05701	2.4
109.02138	2.8
109.02876	48.5
109.06487	2.0
109.10153	61.2
111.04455	1.5
119.08584	36.2
121.06460	2.0
121.10136	30.7
123.04449	1.6
123.08058	100.0
124.08382	1.8
125.05972	8.0
125.09624	3.8
127.03905	4.7
137.05949	4.1
137.09612	51.2
139.11148	5.1
141.09109	27.9
147.08057	11.1
149.05966	4.9
151.03914	1.5
151.11145	3.3
154.81258	1.3
155.10608	1.9
165.09106	45.0
166.06554	1.6
183.10161	38.4
184.10536	1.4
187.24101	1.4
201.11200	2.5
211.07742	1.4
299.09177	2.2
309.13287	2.2
327.14554	3.8
345.02240	3.3
345.15771	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	345.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64239	1.3
52.07825	1.6
53.03931	5.1
54.48949	1.3
55.01857	4.5
55.05492	3.6
57.03422	2.1
59.05002	26.8
65.03932	2.0
67.05498	14.4
68.99780	1.6
69.03427	17.5
69.07044	6.1
71.04977	4.1
71.21478	3.2
78.36196	1.5
79.05503	14.2
81.03394	6.1
81.07044	8.4
83.04958	2.6
85.02895	4.4
91.05478	9.4
93.03400	1.6
93.07037	8.9
95.04957	9.5
95.08607	33.8
97.02927	3.6
97.06516	12.8
99.04440	2.6
99.08062	1.5
103.05453	2.0
105.07027	9.0
107.04941	11.4
107.08606	3.4
109.02879	30.9
109.06438	1.5
109.10152	32.8
111.04449	5.0
117.07026	1.5
119.08564	22.2
121.02827	2.3
121.06486	3.0
121.10152	18.0
123.04395	3.4
123.08064	61.8
123.90852	1.4
125.05952	4.5
125.09637	4.7
126.73237	1.4
127.03893	4.5
128.06328	1.6
131.04913	1.5
135.04405	14.6
137.05975	15.7
137.09613	32.4
138.02997	1.7
139.03825	2.1
139.11203	3.9
141.06929	1.6
141.09097	17.6
145.02805	2.1
145.06552	1.5
147.04440	2.3
147.08003	7.3
151.03900	3.5
153.05440	7.0
155.06984	5.4
163.03886	21.7
165.07002	1.5
165.09113	26.0
169.09976	1.9
171.60745	1.9
171.66628	1.3
175.03906	1.7
175.07617	2.1
177.05467	2.1
181.04997	12.1
181.06413	3.3
183.10173	21.2
191.03387	100.0
192.03703	7.4
193.03864	1.8
201.11151	1.7
207.06458	2.2
224.08202	1.8
225.08990	1.7
243.06544	1.9
249.47885	1.5
267.09998	1.8
271.06134	1.9
295.09650	2.1
299.09207	5.6
303.08673	4.2
313.10660	7.5
327.11826	2.5
327.15146	2.3
345.10193	8.7
345.13568	5.5
345.20197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03939	4.8
53.17624	1.1
55.01865	1.7
55.05484	3.2
55.43476	1.4
57.03401	1.4
58.99578	1.8
59.04999	45.8
61.02911	4.1
67.05505	23.1
69.03430	26.0
69.07059	10.2
70.63918	2.5
70.64277	3.0
71.04980	4.9
75.36748	1.2
79.05482	13.4
81.03423	10.5
81.07053	10.1
83.04964	2.8
85.02911	9.0
86.03524	1.7
87.04445	1.4
91.05483	8.0
93.07040	11.6
95.04954	8.3
95.08606	54.8
96.08978	1.6
97.02888	8.5
97.06520	19.5
99.04444	3.6
99.08097	2.3
103.05450	1.7
105.07040	11.1
107.04959	7.0
107.08607	3.6
109.02145	2.9
109.02876	46.9
109.06519	2.7
109.10153	62.4
111.04452	2.8
117.07003	2.4
119.08579	29.2
121.06518	1.9
121.09332	2.5
121.10142	26.5
121.94572	1.2
122.03630	2.1
123.08064	100.0
125.05974	4.7
125.09615	4.0
127.03941	7.7
131.01625	3.2
132.97737	1.3
137.05980	24.3
137.09605	53.9
138.09106	2.7
139.11185	5.1
141.09105	21.4
147.08018	11.9
158.84212	1.3
165.09103	39.9
177.05437	2.2
179.06931	1.9
183.10158	43.0
201.11102	1.7
207.07942	1.7
219.82750	1.4
246.94171	1.2
248.64336	1.2
253.08522	2.6
285.11166	2.0
301.03430	1.5
327.14532	3.3
345.02457	2.2
345.15762	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	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03947	2.0
55.01862	3.0
55.05510	1.6
59.04993	5.6
65.03947	1.1
67.05503	5.5
69.03416	4.7
69.07064	1.3
71.05006	1.7
71.51319	1.0
71.51727	1.6
79.05479	3.0
81.03391	2.7
81.07045	5.7
83.04963	2.2
85.02889	4.2
91.05465	5.7
93.07024	4.2
94.04213	1.1
95.04976	2.5
95.08607	10.4
97.02898	2.7
97.06529	3.5
103.05449	1.6
105.07018	4.2
107.04955	4.4
107.08582	2.7
109.02893	7.7
109.06520	1.9
109.10154	8.8
111.04429	2.0
115.05443	3.6
119.08579	4.8
121.06506	4.9
121.10144	3.4
123.04340	2.0
123.08068	11.3
123.11719	2.1
125.05967	2.6
125.09603	2.2
127.03957	1.6
129.06987	1.2
131.04944	2.4
133.06456	1.6
134.03656	1.3
137.02341	3.0
137.05975	30.3
137.09602	6.4
139.11136	1.4
141.09103	3.7
143.04915	2.6
146.03630	3.4
147.04494	1.5
147.08037	2.2
147.11659	1.2
149.05914	6.6
151.03905	1.6
151.07547	2.2
153.01904	1.5
153.05476	5.0
153.06880	1.0
154.07788	2.0
160.05208	1.7
161.05972	31.2
163.07495	2.3
165.06990	14.0
165.09071	5.2
166.07690	1.9
167.07207	1.3
167.08647	2.9
171.04414	1.5
175.07538	4.6
178.07660	1.7
179.07022	4.2
179.08582	4.3
181.06491	3.8
182.07233	5.9
183.08087	1.2
183.10191	5.7
188.04666	7.3
191.07080	5.0
193.06509	12.8
194.07237	2.9
195.08043	2.9
197.06059	1.6
197.09608	2.4
199.07532	2.7
203.07039	17.5
205.08617	1.8
206.07343	1.5
207.08057	5.7
209.05949	2.2
210.06770	19.8
211.07477	5.7
218.07321	1.3
221.05978	23.7
221.07996	2.4
222.06664	1.6
223.07590	2.7
224.08304	5.5
225.05655	1.6
225.09102	29.7
227.07043	4.3
228.47237	1.3
229.05013	1.4
234.06851	1.9
235.07544	4.9
237.05511	2.0
238.06219	12.5
239.07019	2.8
239.10756	1.8
249.09081	3.8
251.07004	3.0
252.07809	4.6
253.08591	52.0
254.09102	3.0
255.06546	5.5
266.09396	1.6
267.10196	18.8
270.08902	7.4
271.02310	1.4
273.03976	1.9
277.08746	6.7
280.07391	1.8
281.08054	1.7
285.11203	100.0
286.11484	4.0
294.08765	2.4
295.09659	11.7
299.02011	1.5
299.05524	1.9
299.09244	2.0
299.12646	2.4
301.03488	1.5
301.06854	1.2
302.04263	1.5
309.11084	11.4
312.09940	2.7
313.10602	5.4
315.04901	1.4
327.12247	76.8
328.12411	2.5
345.02335	3.9
345.06128	8.3
345.09610	3.4
345.12897	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	345.1332
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	1.6
55.05495	2.2
57.50992	1.1
59.05002	5.5
65.03946	6.7
67.05492	5.0
68.02623	1.8
69.03404	3.7
71.04987	1.1
71.24592	1.7
71.24914	1.9
79.05457	2.3
80.18114	1.1
81.03394	2.3
81.07035	3.6
83.04961	1.7
85.02910	1.9
88.63714	1.4
91.05475	4.1
93.03403	2.8
93.07021	2.1
95.04944	3.0
95.08610	11.1
96.02132	6.0
97.06530	3.7
103.05453	1.2
105.07015	2.9
107.01254	2.7
107.04943	2.3
107.08589	1.4
109.02850	7.6
109.10151	9.2
111.03720	2.1
111.04433	28.2
115.05453	2.0
117.06989	2.1
119.08525	4.7
121.02792	1.6
121.10110	3.3
123.04422	2.7
123.08067	14.5
128.06175	1.5
129.06989	5.5
131.04906	1.6
131.08620	2.0
134.24757	1.1
135.08051	1.4
137.02295	1.1
137.05980	5.8
137.09589	8.2
139.03900	17.4
141.06961	3.2
141.09090	3.3
143.04904	1.5
144.05716	3.0
145.06465	4.8
147.04408	1.8
147.08008	3.3
149.09633	1.5
152.06229	3.1
153.05429	2.6
153.06964	6.6
155.08556	3.5
157.06438	5.5
159.08049	7.6
160.08797	5.2
161.05946	6.5
161.09590	4.2
165.07016	4.5
165.09100	5.4
167.03424	5.9
167.07262	1.4
167.08499	5.5
168.05670	5.6
169.06464	4.8
170.07260	1.9
171.08029	2.2
173.06030	2.2
175.07431	1.9
178.07753	3.4
179.08517	6.1
181.05045	1.8
181.06454	10.7
182.07233	3.7
183.08060	3.3
183.10155	4.8
184.08839	1.7
185.05986	5.0
185.09560	2.7
187.07532	5.2
188.08301	10.0
189.07019	1.2
189.09119	3.3
190.07698	1.9
194.07301	1.4
195.07988	7.2
196.05150	5.3
196.08759	4.2
196.16188	1.2
197.05974	5.3
197.09534	2.5
198.06737	24.6
199.07567	3.8
200.08340	3.8
205.06435	2.2
206.07249	3.6
206.09447	1.6
207.08163	7.2
207.09769	1.8
208.08847	2.3
209.05966	5.2
209.09557	1.8
210.06755	4.5
211.07578	12.7
211.11118	4.6
212.08228	2.8
213.05490	10.7
213.09103	5.0
215.06892	2.0
216.00456	1.4
218.07274	1.4
219.07965	1.6
221.09525	3.3
223.07529	9.3
224.04698	3.2
224.08250	7.8
225.05389	3.4
225.09041	3.2
226.06177	7.6
227.07031	6.1
227.10623	2.2
228.07784	6.4
234.06792	2.4
235.07523	6.0
236.08272	3.5
237.05560	2.6
237.09035	2.0
238.06172	3.2
238.09923	11.0
239.07007	27.5
239.10622	17.2
240.07800	12.7
240.11395	1.6
241.05000	7.1
241.08586	17.0
243.06485	15.4
243.10214	2.0
249.09100	5.2
250.09860	1.6
251.07045	6.0
252.04306	2.9
252.07715	6.5
253.05026	2.0
253.08536	11.9
253.12239	4.7
254.05740	2.9
255.06503	4.6
255.10161	1.4
256.07285	21.5
256.10910	3.6
257.07974	2.0
258.08734	2.3
265.08713	1.6
266.09433	2.5
267.06607	4.3
267.10123	33.3
268.07303	24.4
268.10281	2.8
269.08057	32.0
271.06769	1.1
271.09552	5.9
271.13284	4.9
279.06555	1.3
280.07227	1.3
281.08038	4.9
281.11636	5.0
283.09680	2.4
284.06772	4.8
284.10388	9.9
285.11127	2.8
286.08328	7.9
295.09647	9.3
296.10391	12.2
299.09103	100.0
299.12708	20.2
300.09464	2.1
312.09763	2.7
313.10703	19.4
315.04932	1.6
317.13828	2.2
327.12231	79.5
345.09628	4.2
345.13278	45.3
345.24216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.05500	1.4
62.37902	1.2
65.03931	4.3
65.27557	1.3
68.02641	1.2
69.03390	1.9
69.17945	1.3
70.41730	4.4
85.02866	1.5
85.23155	1.4
91.05483	2.0
93.03429	1.7
95.04968	1.7
96.02100	6.5
107.01340	1.9
109.02860	1.9
109.06523	1.3
111.04431	26.5
111.24590	1.2
117.07044	1.7
121.06529	1.3
123.04410	2.8
128.06172	1.6
129.06984	3.7
137.05946	2.5
139.03902	13.6
141.06932	2.8
145.06470	4.5
150.94972	1.4
152.06253	2.4
153.05521	2.1
153.06992	4.3
155.08540	1.9
157.06467	5.6
159.08017	6.3
160.05263	1.3
160.08852	5.2
161.05975	5.3
161.09598	3.8
165.07030	5.4
167.03374	6.8
167.08530	3.0
168.05713	4.8
169.06441	3.6
171.08012	4.3
172.05132	1.8
173.05981	2.1
175.07529	1.5
178.07742	2.7
179.08514	7.0
181.06473	7.6
182.07292	3.5
183.08043	4.4
185.05962	5.0
185.09653	2.7
185.25333	1.7
187.07521	5.7
188.08313	7.2
189.09128	3.1
195.08096	6.7
196.05194	4.2
196.08833	4.5
197.05984	4.9
197.09612	3.7
198.06740	22.0
199.07503	3.0
200.08353	3.5
205.06564	1.5
206.07286	3.4
207.08080	8.5
209.05951	6.4
209.09596	2.4
210.06757	5.1
211.07489	12.1
211.11197	4.4
212.08258	1.8
213.05431	11.5
213.08975	3.2
215.07031	2.4
221.09663	3.4
223.07539	8.9
224.04729	3.6
224.08194	7.8
225.05469	3.7
225.09151	4.4
226.06241	7.5
227.07007	7.6
227.10599	2.0
228.07776	3.6
228.11356	1.6
234.06914	2.0
235.07533	5.3
236.08237	2.2
237.05418	3.5
237.09198	4.0
238.06378	2.7
238.09828	11.4
239.07039	26.0
239.10605	15.9
240.07736	11.8
241.04997	8.7
241.08553	15.7
243.06496	17.2
249.09109	4.1
250.09891	1.6
251.06952	3.8
252.07780	5.1
253.08588	13.2
253.12221	4.2
255.06560	4.8
256.07269	18.0
256.10922	3.4
257.08096	2.8
263.07181	1.7
266.09433	3.3
267.06619	5.2
267.10168	32.4
268.07309	21.0
268.10645	2.1
269.08072	31.4
270.08667	1.8
271.09760	7.2
271.13077	6.9
281.08105	3.2
281.11688	2.7
283.06366	1.7
283.09518	2.1
284.06805	4.3
284.10428	10.2
286.08377	8.5
295.09601	10.2
296.10489	10.3
299.09198	100.0
299.12726	18.2
300.09467	2.0
313.10663	20.0
317.14093	2.0
327.12274	72.5
328.12460	2.1
345.06476	1.8
345.13315	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	2,5,7-Trihydroxy-6,8-dimethyl-3-(4'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
55.01866	4.1
55.05489	2.6
57.03444	1.8
59.05006	8.4
60.48695	1.7
65.03929	4.4
67.05504	9.6
67.96392	1.9
69.03419	6.9
69.07065	3.7
79.05487	4.7
81.03390	2.7
81.07059	8.4
83.04973	1.8
85.02883	5.5
91.05485	6.3
93.07041	4.3
95.04967	4.5
95.08591	14.1
97.02884	3.8
97.06531	6.0
103.05465	2.1
105.03405	1.7
105.07037	5.6
107.04944	9.8
107.08592	3.3
108.25546	1.5
109.02891	8.0
109.06546	1.9
109.10148	13.7
111.04446	3.3
113.51871	1.6
115.05465	3.4
117.07001	4.1
119.08582	7.1
121.02859	13.2
121.06494	3.5
121.10165	6.7
123.08062	20.0
125.06008	3.5
127.03930	2.7
129.06987	1.8
131.04927	4.6
135.04456	3.1
137.05981	5.2
137.09601	10.4
141.06999	4.2
141.09134	5.2
142.02588	2.0
145.06467	8.2
147.04445	3.6
147.08049	6.7
147.11751	2.4
152.06253	4.7
153.05521	3.1
153.06987	6.2
154.07796	2.6
155.08543	5.1
157.06569	2.0
159.11723	1.8
161.05914	1.9
163.03899	5.4
163.07593	2.4
165.07001	13.0
165.09094	10.0
166.07721	2.2
166.12468	1.7
167.07043	5.6
167.08621	5.0
168.05753	1.7
169.06487	3.0
173.05927	4.0
178.07777	6.0
179.08582	4.7
181.04970	15.2
181.06512	10.3
182.07121	3.6
183.08090	10.2
183.10217	6.9
185.09698	1.7
189.06967	2.3
191.07013	2.4
193.06400	2.8
195.08102	9.2
196.08882	6.4
197.05994	9.4
198.06773	6.6
202.08051	1.8
203.08627	1.9
206.07266	4.3
207.08051	13.0
209.06070	1.8
210.06755	9.0
211.07533	19.3
211.11151	3.1
213.05550	5.0
213.09128	2.4
219.08041	3.1
221.06129	2.0
221.09665	6.1
223.07494	10.6
224.08257	13.0
225.05559	4.0
225.09129	2.6
226.06233	16.7
227.07030	3.5
234.06723	3.2
235.07545	7.8
236.08080	3.0
237.05556	4.0
237.09021	3.0
238.06256	7.6
238.09879	2.9
239.04584	3.1
239.07014	47.3
239.10612	15.4
240.07721	5.0
241.05009	4.7
241.08617	6.0
243.06532	7.0
249.09186	2.4
251.06972	7.8
252.07811	6.1
253.08656	5.4
254.05777	3.4
255.06482	16.3
256.07297	2.7
267.06717	11.0
267.10059	12.5
269.04285	3.4
269.08084	8.0
270.08896	3.1
271.05826	2.4
271.09686	2.9
281.07977	2.0
283.06076	5.4
284.06866	6.8
284.10385	4.4
285.11203	19.3
286.08319	21.9
295.09689	5.8
297.07776	2.7
299.09189	100.0
299.12823	54.7
300.09528	1.7
312.09918	2.0
313.10666	68.1
314.11105	3.0
317.13882	10.0
327.12244	54.0
327.16028	3.2
345.06607	4.1
345.09540	3.4
345.13403	63.7
346.13480	2.2
349.19724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
50.73688	1.1
53.03929	1.3
54.45080	1.3
55.01860	3.1
55.05500	1.5
58.17473	1.3
59.04721	1.8
59.04998	20.7
60.57603	1.2
65.03922	4.6
67.05492	13.1
69.03422	11.6
69.07040	4.5
71.04971	2.9
71.24454	2.2
79.05486	8.9
81.03393	4.1
81.07050	6.6
85.02886	5.9
91.05458	6.3
93.03374	1.6
93.07018	5.6
95.04968	7.5
95.08601	29.0
97.02863	3.8
97.06528	9.8
103.05441	2.4
105.07035	7.9
107.04939	12.0
107.08581	2.1
109.02879	23.8
109.06529	1.5
109.09392	1.7
109.10150	30.8
111.04398	4.3
115.05450	2.7
117.06978	4.8
119.04927	1.8
119.08574	16.6
121.02825	8.8
121.06480	5.7
121.09464	1.5
121.10139	15.0
123.04384	2.7
123.08061	49.8
125.06008	2.7
127.03851	2.5
131.04916	4.3
133.06483	1.9
133.10170	1.4
135.04407	2.6
135.08029	1.5
137.05980	10.4
137.09605	23.3
139.11179	2.8
141.06950	2.8
141.09099	13.8
145.06474	8.2
147.04378	1.7
147.08014	5.3
149.02324	2.2
149.05928	2.5
151.03807	1.5
151.07500	1.8
152.06201	1.6
153.05447	2.8
153.06955	5.6
154.07796	2.0
155.08501	3.7
155.10670	1.9
161.05949	5.6
163.07518	6.1
165.06998	12.8
165.09109	29.1
166.07649	1.3
167.07011	4.8
167.08536	3.6
168.05637	3.2
169.06497	3.8
170.07243	2.4
171.08078	2.3
173.05972	2.3
175.07544	2.3
177.09111	9.6
178.07744	5.3
179.07045	1.6
179.08563	5.1
181.04919	16.1
181.06444	6.9
181.07883	1.4
182.07231	3.5
183.08051	6.6
183.10132	23.2
191.03371	6.7
191.07022	3.7
191.08585	1.5
193.06491	3.8
193.10117	3.1
194.07275	1.9
195.08119	6.7
195.09621	1.4
196.05141	2.2
196.08737	3.7
197.06004	7.2
197.09610	2.1
198.06696	7.0
199.07521	1.6
202.07576	1.6
203.07013	3.8
205.06450	1.6
206.07242	4.1
207.08070	11.2
208.08722	1.6
209.05968	2.5
209.09631	1.6
210.06738	9.7
211.07532	19.0
211.11182	3.0
212.08226	1.5
213.05383	2.7
213.09061	2.1
219.07893	2.1
221.05894	3.4
221.09561	5.1
223.07541	9.5
224.08289	8.8
225.05371	4.5
225.09065	4.7
226.06239	12.6
227.06981	3.1
227.10506	1.5
231.10036	1.5
234.06750	3.0
235.07660	7.4
237.05342	1.8
237.09099	2.2
238.06332	7.1
238.09811	2.8
239.07045	42.8
239.10634	15.8
240.07655	3.2
241.04898	3.9
241.08588	4.7
243.06497	6.0
249.09140	3.7
251.07071	7.5
252.07712	7.8
253.08607	9.9
254.05670	3.0
255.06514	16.0
256.07230	3.8
257.11768	1.9
266.09427	3.1
267.06833	6.9
267.10147	13.8
268.07294	3.7
269.05408	1.3
269.08026	11.5
270.08789	3.3
271.05862	2.6
271.09509	2.9
271.13065	1.5
277.08582	3.0
283.06076	6.4
284.06775	5.9
284.10394	4.7
285.11154	24.2
286.08362	18.5
286.11484	2.4
295.09784	6.9
299.09064	100.0
299.12689	56.7
300.09332	1.7
309.11026	4.2
312.09918	3.6
313.10660	60.5
314.11060	2.2
317.13791	7.4
327.12225	68.4
328.12323	1.6
345.13239	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
51.62534	0.3
68.66290	0.3
68.99754	0.4
69.03398	0.3
69.53372	2.0
75.05097	0.3
77.89363	0.3
83.57632	0.3
84.39582	0.3
85.06493	0.3
91.05450	0.5
93.07001	0.4
95.04914	0.4
99.08024	0.4
105.06974	0.6
107.04877	0.5
107.08549	0.5
121.02803	0.4
121.06457	1.1
121.10144	0.3
123.00724	0.4
131.04883	0.7
133.06427	0.7
135.03458	0.6
135.04404	9.5
135.07983	0.3
136.04701	0.3
139.00243	1.8
140.06699	0.3
145.06458	0.3
145.10097	0.4
147.07983	0.9
149.05981	0.7
151.00237	0.4
159.11732	0.4
161.04675	0.6
161.05969	10.2
163.07520	0.6
175.07425	0.5
185.05946	1.3
187.07570	2.2
189.05443	2.5
191.06937	0.4
201.05463	0.4
203.06981	1.3
213.05429	2.6
217.04971	3.8
230.60423	0.3
231.06514	6.9
231.08852	0.3
241.04884	0.9
245.04532	2.0
256.07394	0.3
259.05991	1.1
271.06024	0.3
277.45612	0.3
286.04788	0.4
287.05481	21.5
288.05832	0.8
296.22778	0.4
315.04962	98.6
316.05353	4.2
328.16208	2.5
330.07318	22.3
331.07486	0.6
345.09674	100.0
346.10019	4.3
350.87430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
55.01865	0.2
63.09527	0.1
63.83739	0.1
65.03919	0.3
67.05499	0.2
68.99777	0.6
69.03406	0.2
73.92920	0.2
79.05474	0.3
81.03397	0.2
81.07053	0.2
91.05465	0.3
93.07029	0.2
95.04941	0.5
95.08601	0.4
96.42465	0.2
100.75125	0.2
105.03377	0.5
105.06965	0.3
107.04956	0.4
107.08528	0.2
109.02840	0.4
109.07318	0.1
109.10117	0.2
111.00813	1.0
121.02865	2.7
121.06539	0.2
121.10119	0.2
123.04398	0.4
123.08044	0.2
131.08580	0.2
133.02847	0.6
133.06296	0.2
135.04384	0.4
137.02339	0.7
137.05957	0.3
138.06775	0.4
139.03879	0.7
145.06458	0.2
147.04361	0.6
148.05095	0.3
149.02332	0.5
149.05956	0.2
151.03889	0.3
153.01820	5.8
157.06444	0.4
159.08057	0.2
161.02318	0.2
161.06017	0.3
163.03876	0.5
165.01817	2.6
165.05478	0.6
171.04433	0.4
173.05972	0.2
175.03868	0.4
178.06306	0.3
183.02919	1.5
185.05956	0.6
189.05412	0.4
197.05969	0.4
201.05507	0.4
203.03375	0.4
203.07051	0.4
213.05447	1.9
214.89897	0.2
215.07098	0.2
216.04266	0.5
217.04947	0.3
229.04991	0.9
231.06528	1.8
239.03357	0.2
241.04930	2.6
242.05627	0.2
243.02901	0.3
243.06487	0.5
244.03618	1.3
245.04443	0.6
255.02945	0.7
255.06422	0.2
257.04517	0.5
258.05222	2.0
259.06024	5.1
259.08746	0.3
269.04428	5.8
270.05017	0.3
271.05966	2.1
272.03143	0.7
283.02341	1.9
283.05960	0.9
284.03104	1.5
284.06772	0.6
285.03940	3.0
286.04764	1.4
287.05478	35.1
288.05814	1.6
297.03857	0.9
299.05502	2.2
300.02560	0.5
300.05917	0.2
301.03491	0.4
301.06961	2.6
302.04266	0.4
302.07724	0.7
311.05539	0.3
313.03418	0.5
313.06876	0.2
314.04242	2.0
315.04959	21.3
316.05563	1.7
329.03455	0.1
329.06531	7.7
330.07309	52.7
331.07672	2.8
345.09662	100.0
346.09998	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	345.0965
Annotation	Araneol
Peak:m/z	Relative Intensity
55.01836	0.4
64.30036	0.2
65.03905	0.3
68.99743	0.2
70.76723	0.5
70.77070	0.4
73.69200	0.3
95.78667	0.2
100.58081	0.3
107.04897	0.7
109.02847	0.3
111.04473	0.2
121.02856	21.0
123.00724	0.7
125.02298	0.4
135.04410	0.3
137.02321	2.4
145.06465	0.3
151.36057	0.3
153.01799	3.9
155.04875	0.2
157.06467	0.6
165.01768	0.9
171.02939	0.3
171.04317	0.5
173.05960	0.5
181.01337	1.8
183.04323	0.3
185.05925	0.9
189.05461	0.3
197.05891	0.3
199.02274	0.4
199.03853	1.2
201.05435	0.4
203.06900	0.4
213.05484	2.0
215.07066	0.2
226.02600	0.4
229.04767	0.3
231.06511	3.0
235.40971	0.2
241.04984	1.5
242.05753	0.5
244.03719	0.6
255.02905	0.3
259.06009	2.4
269.04428	0.6
270.05133	0.3
272.03149	0.8
285.03876	4.5
286.04697	3.2
287.05481	15.3
288.05676	0.5
297.03998	0.7
298.04449	0.3
299.05560	0.6
301.07025	3.1
313.07095	0.4
314.04239	1.4
315.04953	100.0
316.05273	3.9
329.06555	2.3
330.07312	11.4
331.07593	0.8
345.09662	98.1
346.10025	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
57.02744	0.3
69.91157	0.6
69.91551	0.6
73.36817	0.3
73.86826	0.3
74.57304	0.3
109.02849	0.8
121.02813	0.7
121.43727	0.3
122.03632	0.3
124.05160	1.2
151.03888	3.5
154.66840	0.3
164.04684	0.3
165.01645	0.4
167.03368	2.4
175.07552	0.4
179.03462	0.3
185.06033	0.3
203.06956	1.6
213.05469	0.6
216.04196	0.7
227.03363	0.4
231.06505	6.7
241.04990	0.7
242.05569	0.7
243.06525	0.9
244.07214	0.8
245.04558	0.4
258.05319	0.4
259.06006	12.2
269.04379	0.6
271.05969	1.4
272.03079	0.8
272.06641	0.7
283.05948	0.8
284.06937	0.4
285.07422	0.7
286.04681	1.0
287.05484	17.0
288.05826	0.6
299.05585	1.0
300.06189	0.7
301.07031	5.7
302.07837	2.7
313.07010	0.8
314.04178	3.0
315.04947	19.7
316.05475	1.3
329.03445	0.4
329.06506	18.8
330.07303	63.3
331.07706	2.7
345.09653	100.0
346.09946	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	345.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
52.06637	0.6
53.03919	0.6
55.05506	0.8
56.96569	3.0
61.02932	0.9
67.05510	0.8
69.03416	2.3
70.31510	0.6
70.31840	2.1
73.02899	0.7
79.01848	5.8
81.03413	1.1
81.07048	0.6
83.04959	1.5
85.02880	3.5
95.04975	0.6
97.02900	3.9
98.97595	1.8
105.07027	0.9
107.01309	1.6
108.08131	1.6
109.02880	1.6
111.04448	1.0
112.07628	1.3
115.05466	0.9
116.98610	2.8
119.01901	0.7
120.35231	0.6
125.02341	4.7
127.03896	2.8
128.98586	0.7
131.04948	0.8
132.04420	0.7
134.99651	1.1
137.05978	1.6
139.03915	1.4
143.00256	0.7
143.03355	7.7
153.01822	100.0
153.02853	4.2
154.02139	1.5
158.99623	0.7
159.06781	0.9
161.05977	0.8
166.04912	0.9
167.07095	0.6
170.99608	0.8
171.02876	1.2
171.04399	1.8
173.06097	0.7
177.00720	1.4
177.07845	0.7
187.03940	1.3
189.00647	0.8
199.03943	1.8
201.00601	0.7
215.03436	1.4
219.01744	1.2
219.07846	0.9
227.03392	1.9
234.06303	1.2
237.02859	0.7
243.02762	1.9
252.12662	1.5
255.02870	2.1
264.12747	0.9
270.13644	1.3
271.02310	2.1
273.03979	1.4
282.13669	4.6
283.02365	0.8
299.01825	4.5
300.02368	0.7
300.12274	0.8
301.03403	4.3
317.02960	1.2
327.01306	1.7
345.02365	12.6
345.12900	2.1
345.16830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03937	3.8
54.29299	0.5
55.01865	0.6
57.03427	1.6
59.04999	0.7
60.04521	0.8
61.59727	0.5
64.15630	0.5
65.69304	0.5
67.05510	0.6
69.03426	12.1
70.76865	1.0
71.04988	1.6
73.02928	1.2
74.35604	0.5
78.03452	14.4
79.05469	0.5
80.05016	2.9
81.03415	18.3
81.07048	0.5
85.02905	13.5
88.31879	0.6
88.36855	0.5
91.05463	0.5
95.08576	1.0
96.04491	6.1
97.02884	5.6
99.04457	2.8
106.02910	75.0
107.03255	0.8
109.02870	12.5
115.05441	1.0
122.06029	0.7
124.03944	100.0
125.04250	0.9
127.03905	9.0
131.04909	1.1
136.20509	0.5
137.09584	1.3
145.04982	1.0
147.04405	1.5
159.04417	1.3
163.03964	0.5
164.07053	0.5
165.05554	0.6
166.04990	2.2
167.07135	0.6
169.02844	0.5
171.04404	2.9
182.08154	0.9
183.10152	0.7
187.03935	1.6
196.06113	0.6
199.03862	3.0
207.10735	0.5
208.05989	0.6
210.62877	0.5
215.03458	2.5
227.03442	2.6
232.06044	5.5
232.35728	0.5
243.02879	2.9
245.04385	0.6
250.07111	26.3
251.07330	0.5
255.02898	2.9
261.03906	0.7
268.08151	30.9
269.08356	0.9
271.02328	3.5
273.03912	2.1
283.02283	1.7
289.03488	1.1
299.01831	8.5
299.10315	0.8
301.03391	6.2
317.02853	1.5
327.01505	2.9
344.13104	1.8
345.02399	17.2
356.09372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03424	0.9
61.02927	2.0
64.49290	0.3
66.34933	0.3
69.03423	3.4
70.49376	0.6
71.04981	0.4
73.02912	0.5
81.03408	1.4
85.02901	16.8
85.41393	0.3
91.03945	0.8
91.05478	4.9
95.05020	0.3
97.02892	3.7
99.04470	0.9
106.74429	0.3
109.02859	1.7
119.04936	20.6
123.04409	2.2
127.03906	3.2
145.04948	3.8
147.04401	100.0
148.04753	1.0
161.03229	0.3
163.05980	0.4
165.05469	48.2
166.05815	0.8
180.08643	1.4
181.04968	0.5
182.05275	0.8
182.08176	1.1
309.09402	0.4
344.13446	1.0
345.02405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46626	0.5
61.02916	0.8
69.03413	2.5
69.32790	0.7
69.85256	2.0
69.85656	1.3
70.06579	1.1
72.30595	0.5
81.03410	1.1
82.27943	0.5
85.02905	6.8
91.05445	1.6
97.02896	2.0
98.20791	0.7
103.07602	0.9
109.02853	0.7
119.04935	4.4
123.04427	0.9
127.03939	1.5
127.96473	0.5
134.04628	8.4
135.03032	0.9
137.05963	0.7
145.04933	0.7
147.04410	22.6
152.05672	1.9
164.07085	1.0
165.02267	2.4
165.05475	11.8
165.11237	1.5
167.02638	0.9
171.04419	0.8
182.04953	100.0
183.05325	0.6
187.03880	0.9
199.03967	0.7
227.03429	1.0
238.47916	0.6
243.02872	1.2
271.02408	1.6
299.01852	2.5
301.03400	1.6
327.01443	1.2
344.10193	20.4
345.02423	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	343.2628
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
51.02390	1.5
53.03936	1.7
55.05510	17.2
57.03442	3.4
57.07071	4.0
59.04974	1.8
62.68756	1.6
67.05502	34.2
69.03416	3.5
69.07064	13.5
69.55825	5.5
69.56253	6.5
71.05000	8.8
73.06538	2.1
77.03934	1.7
79.05499	24.1
81.06590	3.6
81.07052	44.0
83.04974	2.2
83.08622	6.5
85.06548	4.4
91.05463	25.5
93.07039	65.8
95.04971	19.9
95.08604	100.0
97.06531	7.5
97.10146	4.1
103.05447	2.8
105.04527	1.8
105.06316	2.8
105.07022	49.5
107.04933	5.2
107.08588	79.7
108.08950	2.3
109.06513	8.9
109.10156	59.7
111.08086	4.0
115.05500	2.3
117.07012	15.6
119.08573	48.7
119.67059	1.9
121.06519	7.4
121.10142	72.1
123.08076	17.8
123.11700	32.6
125.09599	3.4
128.06244	1.9
129.07014	4.3
130.07790	6.9
131.08563	17.4
133.06398	2.8
133.10123	24.4
134.63484	1.6
135.04454	2.9
135.08069	13.8
135.11684	32.9
137.05989	3.5
137.09636	2.4
137.13249	3.8
143.08548	5.8
145.10118	47.3
147.04333	2.3
147.08040	6.7
147.11697	29.5
149.09592	3.8
149.13234	10.9
151.07539	16.7
153.09108	5.7
157.10132	9.8
159.11678	13.8
161.09656	3.1
161.13251	22.2
163.07509	3.6
163.11179	21.8
163.14838	7.4
165.06955	2.0
165.09099	6.0
165.12794	3.0
169.10126	2.3
171.11729	10.0
173.09634	2.7
173.13243	16.0
175.11320	1.7
175.14799	22.0
177.09196	2.0
177.12811	3.5
177.16371	9.2
179.10605	2.9
183.11642	1.9
185.13313	4.5
186.14067	4.7
187.11241	3.7
187.14825	14.8
189.12744	5.3
189.16376	25.9
191.14207	9.0
191.17934	16.4
199.14876	3.6
201.16389	43.4
203.14375	5.5
203.17937	3.9
205.15894	1.9
207.13881	2.0
207.17392	2.6
209.13353	2.1
213.16426	5.6
215.14276	2.9
215.18037	2.5
219.13971	1.8
219.17383	17.3
221.15358	11.4
223.14772	2.6
225.16344	1.8
227.17947	8.8
229.15874	2.3
231.17418	2.2
233.15460	2.4
235.16945	4.3
240.23251	2.3
241.19489	5.1
247.16957	4.6
251.18416	1.9
263.16370	3.3
267.21014	3.2
273.18481	2.8
281.22809	1.9
285.22174	2.0
287.19846	2.1
297.22400	3.9
297.25748	57.2
298.26065	3.8
307.20462	1.7
307.24136	5.0
310.65482	1.7
315.26935	3.2
325.21741	3.4
325.25214	22.7
343.08051	9.8
343.22595	26.5
343.26337	87.6
344.23029	2.7
344.26807	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	343.263
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
53.03940	1.6
55.05512	7.2
55.89808	0.8
57.07058	1.8
65.03914	1.9
66.02392	0.8
67.05502	29.0
67.81313	0.8
69.07068	7.2
69.28568	8.5
79.05488	17.1
81.06598	1.5
81.07053	24.6
83.08600	3.5
85.38299	0.9
91.05478	10.9
93.07039	35.7
94.07361	1.1
95.04963	1.3
95.08603	83.5
96.08920	1.2
97.05560	0.9
97.10158	1.3
103.05428	1.2
105.07026	13.9
107.05032	1.1
107.08590	80.9
108.08910	1.2
109.06530	2.1
109.10152	93.1
110.10490	2.5
119.06109	1.5
119.08582	36.3
121.10139	100.0
122.10455	1.9
123.08077	1.1
123.11706	20.3
131.08536	4.4
133.10129	14.5
135.08109	1.2
135.11685	11.0
137.05968	1.6
137.13271	1.9
143.08601	1.1
145.10081	7.4
147.11681	11.0
149.13257	6.8
151.07533	1.8
153.09056	4.9
157.10172	1.7
159.11678	4.1
160.12344	0.9
161.13214	5.5
163.14828	3.6
165.09114	1.7
167.10632	1.0
171.11626	1.8
173.13248	8.6
175.14824	15.8
177.16380	18.2
179.10654	0.9
185.13303	1.0
186.14058	1.4
187.14803	7.5
189.16374	57.5
190.16750	1.5
191.17937	9.0
199.14799	2.3
201.16362	17.1
203.17958	3.3
207.17407	3.1
213.16374	2.5
215.14389	1.1
215.17990	2.6
217.15889	0.9
219.13788	3.5
221.15433	3.3
227.17923	4.2
233.15344	3.4
235.16890	9.6
240.23241	1.7
241.19562	2.1
247.17049	4.9
259.16953	3.0
261.18515	5.5
273.18463	2.3
275.20145	1.1
287.20151	1.2
297.25760	28.6
298.26083	1.5
299.27316	4.0
325.25214	3.3
343.26303	72.2
344.26559	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.23962	2.7
53.03919	3.8
55.01850	7.0
55.05505	24.6
57.03421	10.7
57.07056	13.5
59.04986	5.1
65.03943	3.3
67.05504	37.6
69.03404	12.3
69.07045	10.8
71.04978	22.2
74.71062	2.9
79.05489	33.0
81.03411	7.2
81.07044	42.5
83.04969	7.8
85.02879	3.9
85.06541	5.9
91.05471	51.5
93.07032	80.3
95.04954	71.3
95.08597	85.8
97.06521	19.9
98.21624	5.9
103.05453	5.7
105.03363	4.2
105.07022	94.6
107.04935	9.4
107.08578	59.9
109.06523	17.2
109.10149	16.5
115.05443	7.4
117.07008	39.0
117.77764	3.1
119.08566	33.9
121.06489	17.6
121.10121	27.2
123.08057	29.9
123.11728	4.6
126.41261	2.8
128.06238	5.4
129.06960	8.1
130.07765	16.4
131.08531	10.3
133.06502	8.4
133.10130	23.4
135.08029	33.0
135.11662	18.2
137.05930	7.8
137.09563	7.2
143.08517	13.2
145.06422	5.9
145.10106	93.6
146.10387	5.0
147.08044	17.5
147.11682	10.2
149.09612	9.5
151.07520	50.1
151.75082	3.4
153.09062	6.0
155.08548	3.5
157.10143	13.8
159.11710	14.1
161.09621	10.5
163.07529	5.2
163.11160	72.7
164.11401	4.1
165.09120	27.0
169.10150	5.7
171.11649	6.6
173.09523	5.3
173.13275	5.7
175.11162	4.9
175.14790	3.8
177.09154	6.8
179.06990	7.0
181.04898	5.8
181.09985	3.9
185.13188	5.7
187.11244	6.2
189.12683	10.7
191.10629	2.6
191.14323	3.5
191.43536	2.8
195.11642	3.5
197.13251	3.6
201.12680	3.2
203.14246	14.1
207.10094	3.7
207.13803	8.8
209.13255	4.6
215.14236	4.9
221.15315	35.9
225.12701	3.6
229.35776	4.2
233.15401	3.9
240.23253	9.0
241.15848	4.4
257.15369	3.5
263.16403	7.9
283.09647	27.2
284.10001	3.9
286.19116	6.5
307.20718	4.1
325.21606	15.6
343.08258	4.2
343.22650	100.0
343.26227	7.9
344.22852	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.85071	2.1
53.03933	8.5
55.01861	4.8
55.05510	19.3
57.03423	8.5
57.07060	9.9
59.05001	5.7
65.03949	2.7
67.05502	31.2
69.03420	11.8
69.07044	10.0
69.45346	20.8
71.05001	25.4
79.05492	26.5
81.03410	4.7
81.06605	2.9
81.07058	40.2
83.04966	8.8
83.08604	5.4
85.06542	4.4
91.05476	44.5
93.07038	77.0
95.04965	71.3
95.08601	100.0
97.06533	18.1
97.30074	2.6
98.21533	5.0
103.05460	4.3
105.07025	85.6
107.04930	6.1
107.08582	59.4
109.06516	20.5
109.10120	8.7
115.05436	8.4
117.07015	38.5
119.08581	34.0
121.06494	21.0
121.10117	22.0
123.08062	31.4
126.69019	3.0
128.06183	6.8
129.06984	5.6
130.07791	18.2
131.04916	2.7
131.08582	11.7
131.09419	2.5
133.06462	8.4
133.10114	23.6
135.04399	8.7
135.08052	30.2
135.11694	22.8
137.05968	5.9
137.09618	8.3
137.38560	2.4
142.07761	2.5
143.08549	13.7
144.09329	2.8
145.06511	4.4
145.10115	85.9
146.10393	3.8
147.08046	16.8
147.11676	6.9
149.09625	9.7
151.07533	55.3
152.69568	2.3
153.09093	2.9
155.08560	2.9
156.09311	3.9
157.10133	11.7
159.08087	4.6
159.11664	8.4
161.09557	11.7
161.13213	4.2
163.07558	3.1
163.11171	71.8
165.09102	15.9
169.10141	6.0
170.10847	2.9
171.11671	9.8
173.09607	4.7
173.13228	4.8
175.11217	5.1
175.14772	3.5
177.09100	7.0
179.06987	3.3
181.10214	3.4
181.12193	3.6
183.11690	5.7
185.13280	2.7
187.11160	7.6
189.09117	5.7
189.12767	11.7
189.16385	4.8
191.10582	3.4
191.14389	4.5
195.11533	3.2
197.11526	2.9
197.13225	6.1
199.11142	3.1
199.14912	4.7
201.12926	2.3
203.14226	6.2
207.10170	4.3
207.13779	10.7
209.15378	6.4
215.14421	3.1
217.12305	2.6
221.15364	34.6
222.15648	3.1
223.14941	3.0
233.15363	6.1
240.23378	2.6
241.15926	4.1
245.15361	3.0
263.16406	7.8
269.15271	5.1
271.60110	2.4
286.19244	5.2
287.16586	3.9
307.20432	4.6
325.21561	13.4
343.08292	16.2
343.22638	92.2
343.25653	3.9
344.22870	8.0
365.81912	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	343.1538
Annotation	Brosimacutin C
Peak:m/z	Relative Intensity
53.03943	3.8
55.01875	2.4
60.96586	1.8
65.03931	5.2
67.05492	2.7
68.99792	2.9
69.17259	6.8
69.17676	12.4
71.04977	4.3
77.03927	2.7
79.05487	7.2
81.07054	7.6
84.90453	1.7
85.06545	2.0
91.05483	16.3
91.05990	2.9
93.03384	4.5
94.04188	3.6
95.04976	10.2
97.06524	2.7
99.08094	51.2
102.04629	2.7
103.05463	42.6
105.03375	4.4
105.07035	7.4
107.04951	44.9
107.05643	3.2
108.05756	3.8
109.02870	6.1
109.06528	2.7
115.05439	9.2
117.07003	5.4
119.04938	37.8
119.08578	5.4
120.05736	1.8
121.02867	2.8
121.06506	13.0
122.03662	3.9
123.04424	24.9
124.05205	18.0
128.06201	10.3
129.07005	15.0
130.04166	3.3
131.04922	56.0
132.05707	9.9
133.02829	1.7
133.06462	6.8
133.10123	2.8
135.04358	4.8
135.08029	5.0
136.05176	5.5
137.05977	52.0
138.03093	2.0
138.06776	4.9
138.55626	1.7
141.07018	3.5
143.04929	23.1
143.08557	7.6
144.05693	5.1
145.06462	6.8
145.10081	2.2
146.03629	1.8
146.07210	2.0
146.92290	2.0
147.04408	67.5
147.08031	15.6
148.05148	8.2
149.05988	10.0
151.07474	2.7
153.05428	6.1
153.06934	2.9
157.06465	17.7
159.08060	3.6
160.05209	2.9
161.06003	12.9
161.09592	9.3
162.06781	18.9
163.07545	56.4
164.08205	4.1
165.07005	3.2
165.39821	1.8
166.07765	1.8
167.07065	2.4
167.08540	2.4
169.06511	4.7
171.08057	9.5
172.08864	7.1
173.06061	2.1
173.09613	3.0
174.06726	2.2
175.07510	24.8
176.08318	4.6
177.05473	2.3
178.07762	4.2
179.07033	46.4
179.08536	5.2
181.06461	3.9
183.08020	5.5
184.05186	3.5
185.06018	9.0
185.09627	2.3
187.07507	3.7
189.07108	3.1
189.09102	30.4
194.07417	2.0
195.08031	2.9
197.05983	6.0
197.09584	4.3
198.06754	2.9
199.07527	3.5
201.05585	2.2
202.06245	3.0
202.09882	3.5
203.10660	4.7
204.11438	31.7
207.08058	14.4
207.10178	69.5
208.10451	2.8
211.07729	3.0
213.05486	10.8
215.07054	4.3
217.08630	2.4
223.07574	4.3
223.09674	4.9
225.05609	2.4
225.09099	7.5
226.06198	4.2
227.07001	19.1
229.04974	5.1
230.05763	10.4
234.06703	9.2
235.07539	23.2
236.08353	2.7
241.08629	5.8
243.06584	5.6
245.08090	87.0
246.08502	3.4
249.08949	2.8
251.07024	6.8
251.10689	2.4
252.07855	4.0
253.08606	41.9
254.08961	2.5
257.08081	13.6
264.11420	2.7
265.12198	2.7
269.08282	2.2
271.09369	2.0
275.10730	3.4
283.09662	9.6
283.13190	3.7
293.11719	8.0
311.12799	5.9
325.14325	90.4
326.14581	5.9
343.15399	100.0
344.15710	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	343.1234
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.84193	7.0
57.03427	11.9
66.97986	7.0
69.03427	35.8
69.85369	40.7
71.04999	8.0
78.59551	6.7
81.03413	10.3
85.02901	100.0
86.32280	7.0
94.13454	6.9
97.02880	36.8
99.04467	14.3
101.02425	10.3
109.02864	11.4
115.02361	11.9
119.01910	12.4
127.03929	82.5
131.01924	6.9
133.03575	6.4
145.04951	54.7
161.02858	9.7
161.06013	7.5
163.06061	10.1
171.01347	8.1
217.01906	10.0
251.02419	13.1
298.17679	7.0
344.09122	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	343.1022
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03940	2.3
55.01864	1.0
55.05492	1.1
57.03413	1.1
65.03613	0.6
65.03930	6.4
67.05498	3.4
69.03426	8.3
69.07044	1.5
70.56487	1.3
71.01353	0.5
71.04956	1.2
79.05496	2.8
81.03411	18.4
81.07056	1.9
82.04204	2.1
83.04961	0.8
85.02898	10.4
85.06524	0.6
91.05468	3.0
93.03381	1.6
93.07028	1.7
95.04955	4.6
95.08599	0.8
97.02888	3.1
97.06509	2.7
99.04459	2.1
100.11263	2.0
101.02321	0.4
103.05449	1.2
105.07002	1.7
107.04959	2.3
107.08582	5.2
108.02079	1.2
109.02869	10.2
109.06498	1.1
109.10165	0.8
110.03674	2.9
111.04388	1.1
111.08102	0.4
114.03168	0.4
115.05434	0.8
117.07002	1.3
119.04932	1.1
119.08592	0.9
121.06480	1.2
121.10148	0.7
123.00800	0.6
123.04426	4.2
123.11694	0.4
125.02320	0.9
125.05991	1.5
125.09576	0.5
127.03899	2.2
129.07011	0.7
131.04915	2.5
131.08517	0.5
133.06467	0.8
133.10095	0.5
135.04399	1.0
135.08043	2.5
135.11705	0.4
137.02325	0.7
137.05949	4.7
137.09578	0.4
138.03125	1.8
139.03903	0.4
139.11154	0.4
140.04672	13.2
140.05753	0.7
141.06967	0.8
142.02577	2.1
145.06471	1.0
145.10095	0.6
146.03633	0.7
147.04398	1.4
147.08029	0.5
147.11684	0.6
149.05933	0.7
150.06572	0.4
151.03813	0.6
151.07507	1.0
153.01866	0.5
153.05431	1.7
153.09059	0.5
155.07005	4.5
157.06468	0.5
159.11671	0.8
161.05963	5.0
161.09560	0.8
162.06563	0.6
163.03889	2.1
163.07515	5.3
163.11169	0.9
165.05475	0.6
165.07005	0.4
166.07698	0.5
167.03387	0.4
167.06931	0.7
169.06490	0.4
169.10156	0.4
171.06514	4.9
171.07927	0.7
173.08136	0.5
173.09564	0.9
175.07555	3.6
177.05336	0.4
177.09161	0.6
179.03406	0.6
179.08553	0.5
181.04935	100.0
182.05231	3.3
183.07994	0.5
184.03674	0.6
187.11177	0.6
189.09103	0.8
191.03358	6.7
191.06985	0.5
194.07262	0.5
194.78606	0.4
197.09651	0.7
199.05954	4.0
201.09111	0.8
205.10161	0.8
207.07982	0.6
209.06015	0.5
215.10588	0.9
219.10069	0.9
221.06123	0.5
222.06639	0.7
224.08205	0.5
233.09621	0.8
235.07564	0.7
237.09064	1.0
237.12517	0.5
239.07159	0.5
241.05000	0.5
241.08513	0.6
250.06279	0.7
250.09853	0.6
251.06992	0.9
261.09055	0.6
263.07101	0.6
265.08621	1.7
265.12125	0.8
266.08994	0.4
267.09909	0.8
268.07135	0.4
269.07883	0.9
278.09158	0.6
282.08661	1.2
284.03033	0.4
284.10297	0.7
293.11710	1.5
295.09671	0.4
297.11176	3.1
297.14761	1.1
299.12650	2.3
303.04938	0.5
307.13058	0.7
310.12103	0.5
311.12537	2.5
312.13293	0.5
325.09131	11.6
325.13757	2.6
326.09598	0.6
328.12567	0.9
342.37411	0.4
343.07974	1.2
343.11508	0.9
343.15234	5.7
343.30637	1.7
344.07736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
57.07073	8.2
58.06596	1.1
62.06089	3.0
63.81322	0.2
66.23920	0.1
69.07055	0.4
69.38006	1.4
71.08628	4.4
72.08148	1.4
74.06071	0.2
81.07028	0.3
85.10167	0.7
91.05455	0.2
95.08591	0.4
109.10163	0.3
156.17494	1.4
156.33641	0.2
172.17026	0.2
174.18526	5.2
185.73122	0.2
202.21652	0.6
212.23709	1.6
226.25259	0.2
228.23128	0.2
230.24774	4.8
240.08002	0.2
298.34552	0.3
309.29370	0.2
324.36194	1.3
342.37280	100.0
343.37619	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	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.6
57.07069	14.9
60.20525	1.2
69.03423	5.8
70.06580	1.7
70.95615	4.0
79.05495	2.9
81.03411	5.8
81.07036	2.5
83.08605	3.4
85.02902	18.0
86.09689	1.7
89.06026	39.6
90.93884	1.1
93.07059	2.6
95.04955	2.4
97.02889	5.1
101.09648	16.2
105.07005	1.4
107.07060	39.1
107.08574	2.6
109.02879	3.6
112.18880	1.2
119.04968	1.7
121.06409	1.5
121.10135	2.0
123.04478	2.6
127.03893	4.9
133.06508	1.5
133.10091	2.3
135.04463	1.6
137.05962	3.2
140.04733	2.2
142.12373	1.5
147.04306	2.0
154.97459	1.3
161.05972	1.3
163.07545	3.0
163.13287	100.0
164.13551	1.6
181.04955	20.0
191.03415	5.4
217.11169	1.7
249.09026	1.3
279.32352	1.5
302.04257	1.6
325.09048	2.2
342.06030	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.1
57.03429	7.0
61.02927	3.2
69.03424	4.5
70.56668	4.2
71.05011	2.3
71.08618	4.7
73.02897	2.0
79.05483	1.9
81.03377	1.8
81.07061	13.4
85.02901	16.1
85.06556	2.9
97.02880	5.1
99.08092	22.9
109.02913	2.4
109.06519	15.2
117.09132	100.0
118.09446	2.6
127.03918	2.9
127.07545	38.8
133.02901	1.9
142.29161	1.8
145.05003	4.4
145.06476	13.5
145.82384	1.5
163.03920	28.5
163.09654	21.8
180.06471	2.1
180.08670	3.9
180.12300	4.4
181.04919	3.2
189.92679	1.5
261.22324	1.9
312.07770	1.5
335.24545	1.7
342.11569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.05503	12.5
57.07060	6.7
63.25809	1.7
65.03923	2.0
67.05506	28.7
69.07070	16.5
71.04976	7.9
79.05488	12.7
81.06596	3.2
81.07050	48.4
81.92439	1.7
83.08597	7.0
85.06516	8.4
88.47604	1.9
91.05469	14.1
93.06498	2.5
93.07041	42.1
95.08599	100.0
97.06554	2.0
97.10162	5.3
99.08062	2.1
105.03307	2.3
105.07027	33.9
105.85648	1.9
107.04940	2.1
107.08585	64.5
109.06548	3.4
109.10149	76.6
111.08053	2.8
111.11681	2.1
113.09632	6.2
115.05354	2.1
117.07008	5.2
119.08575	64.9
121.02869	4.1
121.10138	68.6
123.08048	3.9
123.11716	24.4
124.38248	1.8
125.09600	7.3
129.06992	3.7
131.08571	13.3
133.10118	38.4
135.04361	2.8
135.11684	36.4
137.05962	5.3
137.09578	13.6
137.13232	13.5
139.11159	2.3
143.08519	7.1
145.10121	21.9
147.11670	26.4
149.13252	13.6
151.11143	8.5
151.14662	2.0
153.05417	2.0
155.08545	2.1
156.09305	3.1
157.10152	13.5
159.11656	22.7
161.13242	26.0
163.07544	2.1
163.14821	19.8
165.12808	2.3
169.10089	5.1
171.11694	10.7
173.13293	14.3
175.11171	2.4
175.14807	17.7
177.12746	3.3
177.16336	9.0
179.14326	8.6
185.13216	7.2
187.07512	3.1
187.14824	14.8
189.16391	21.6
191.14270	6.7
191.17946	42.1
193.15988	2.1
197.13234	4.4
199.14839	9.2
201.16370	15.3
203.14362	1.8
203.17937	29.5
205.15851	3.5
211.14767	5.8
213.16374	19.8
215.17921	10.9
217.16002	3.3
217.19484	30.3
225.16383	4.0
227.17920	9.1
229.19528	4.5
231.17383	5.7
239.17947	5.9
241.19460	4.5
245.18961	5.7
253.19455	7.8
257.18964	3.1
265.08365	1.9
267.21036	4.3
271.20609	3.2
281.22632	2.3
283.24246	2.3
285.22168	2.4
295.24216	3.4
297.25696	2.6
322.21249	2.4
323.12692	2.9
323.27277	43.3
341.21103	4.9
341.24875	4.7
341.28354	77.3
342.28668	3.8
351.34204	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	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68910	2.6
55.05508	15.7
57.07057	5.3
59.04976	4.4
65.03883	2.8
67.05504	28.8
69.07056	22.3
69.53040	12.3
69.53446	4.9
71.04977	9.5
77.31785	2.9
79.05472	20.5
81.07052	50.0
83.08603	8.4
85.06509	6.4
87.71509	2.6
91.05436	19.6
93.07039	50.8
95.04916	4.0
95.08602	100.0
97.10159	7.4
103.05460	5.0
105.03409	3.7
105.07024	39.0
105.56458	3.0
107.04947	7.7
107.07886	4.5
107.08587	73.6
107.09303	3.8
109.06500	4.3
109.10148	81.9
111.08068	3.3
113.09663	4.5
117.07030	5.4
119.08573	61.2
121.06487	5.5
121.10133	66.3
123.08044	7.1
123.11698	18.1
125.09597	5.5
129.06958	3.8
131.04927	3.7
131.08575	12.8
133.10114	36.0
135.04388	4.8
135.08055	2.8
135.11684	39.5
137.05978	15.8
137.09666	13.7
137.13246	11.1
142.07790	2.8
143.08566	7.0
144.08090	2.7
145.10124	24.0
147.07962	2.8
147.11678	25.3
149.09517	2.9
149.13225	18.2
151.07558	3.8
151.11153	10.4
153.12721	5.8
157.10133	11.9
159.11676	27.5
161.13252	29.0
163.07524	6.8
163.14803	19.2
165.07030	2.7
165.12744	4.7
166.07788	2.5
167.08467	3.4
169.10120	5.7
171.11700	12.1
173.13191	15.7
175.14778	19.0
177.09085	3.1
177.16425	4.0
179.14268	7.1
183.11687	3.5
185.13239	10.1
187.14815	15.1
189.16342	23.3
191.17941	58.0
193.15732	2.7
197.13251	3.0
199.14868	6.5
201.16385	13.0
203.14400	3.5
203.17984	29.5
211.14841	3.3
213.16383	19.5
215.17897	8.0
217.12112	4.2
217.19518	24.8
225.16325	3.2
227.17946	8.1
231.17390	4.4
239.17906	3.1
245.18947	5.6
253.19540	4.9
257.19009	5.6
267.21069	3.8
297.25555	2.7
323.12680	3.7
323.27347	37.4
341.13910	4.6
341.17459	4.4
341.21167	10.4
341.24838	6.9
341.28363	74.2
342.28906	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.05501	14.3
57.07073	5.1
65.03921	4.1
67.05506	27.1
69.07066	22.6
71.04977	8.5
71.08602	3.6
79.05482	19.3
79.79147	2.2
81.06599	3.3
81.07054	49.5
83.08610	9.1
85.06532	8.9
91.05462	17.8
93.07036	46.3
95.04963	4.6
95.08604	100.0
97.10159	5.9
98.20713	4.4
99.08089	4.1
103.05426	2.8
105.03381	6.3
105.07038	33.0
106.36945	2.2
107.04926	5.8
107.07891	4.1
107.08590	64.8
109.06515	4.2
109.10153	73.6
111.04435	3.1
111.11726	3.5
113.09642	5.1
117.06989	6.3
119.08575	56.3
121.06490	4.9
121.10142	73.1
123.04351	2.3
123.08068	4.5
123.11696	16.8
125.09607	4.7
129.06987	4.3
131.08582	13.0
133.10124	36.5
135.04398	3.9
135.10718	3.1
135.11690	37.8
137.05960	8.3
137.09566	11.7
137.13260	11.6
138.82588	2.1
139.11078	2.4
142.07852	2.6
143.08534	5.3
145.06439	2.6
145.10139	19.3
147.08076	3.5
147.11665	24.7
149.02335	2.0
149.09561	4.0
149.13283	14.2
151.03769	2.1
151.11186	10.7
153.12761	2.1
157.10136	14.6
159.07884	2.7
159.11722	24.7
161.06081	2.2
161.13243	26.2
163.07535	7.9
163.14793	16.5
169.10086	4.3
171.11633	11.1
173.13234	13.8
175.14781	19.2
177.12816	2.5
177.16364	6.7
179.14307	7.0
181.12187	9.8
183.11688	3.9
185.13190	10.6
187.14854	12.7
189.16354	18.5
191.17940	52.7
197.13052	5.1
199.14880	6.7
201.16388	11.1
203.14275	2.8
203.17941	26.4
205.69403	2.4
211.14825	5.1
213.16405	17.0
215.17921	9.6
217.19485	27.0
219.17337	2.3
225.16409	3.1
227.17891	10.1
229.15332	2.7
229.19490	5.5
231.17450	6.0
239.17709	2.4
241.19418	3.6
245.19031	7.5
253.19481	4.0
257.18866	3.1
267.21063	6.4
271.20477	2.6
281.22495	4.6
285.22327	2.7
297.25650	2.7
323.23740	2.7
323.27347	35.3
341.21146	6.3
341.24747	6.2
341.28375	66.5
342.28510	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.05503	13.5
57.07063	3.4
59.04984	2.7
65.03931	2.4
67.05501	26.6
69.03410	2.8
69.06802	1.8
69.07068	21.4
71.04978	8.0
71.52564	4.0
79.05492	19.0
81.03391	2.4
81.07054	40.8
83.08591	9.5
83.31621	2.1
85.06544	12.6
85.06966	2.5
91.05463	17.5
93.06502	2.6
93.07042	43.9
95.04950	3.5
95.08604	100.0
96.08895	2.2
97.06505	2.8
97.10154	5.8
101.07428	2.2
103.05445	3.7
105.03330	4.1
105.07034	35.8
107.04942	3.8
107.07887	4.1
107.08588	66.9
109.06488	4.6
109.10151	71.5
111.08067	4.3
111.11717	3.4
113.09619	4.0
117.07019	5.1
119.08566	64.1
121.06470	3.1
121.10139	64.8
123.08026	8.1
123.11694	20.2
125.09609	8.1
129.06924	3.7
131.08525	9.8
133.06476	2.7
133.10115	40.4
135.11687	38.3
135.12700	2.4
137.05957	9.8
137.09625	11.8
137.13237	8.6
143.08510	6.7
144.09358	2.7
145.10118	21.3
147.08081	3.3
147.11670	24.3
149.09625	3.0
149.13289	15.2
151.11194	9.8
155.08542	2.6
157.10130	13.5
159.11673	27.3
161.13228	23.7
163.07539	3.7
163.11209	4.3
163.14772	16.0
171.11668	12.6
173.13197	15.8
175.14847	13.1
177.16368	10.1
179.14325	6.2
183.11665	5.0
185.13243	10.4
187.14835	17.6
189.12785	3.5
189.16383	17.6
191.17944	56.9
193.15898	2.6
197.13214	4.9
199.14822	7.8
201.16344	12.0
203.10695	2.4
203.14351	6.2
203.17967	28.2
211.14819	4.3
213.16370	20.6
215.17937	8.3
217.15971	2.7
217.19528	26.8
225.16402	3.6
227.17931	10.0
229.19490	4.5
231.17250	3.6
237.34894	2.8
239.17903	4.1
241.19562	5.5
245.19011	6.7
246.29248	2.3
253.19521	5.1
255.20862	2.6
257.18973	4.0
257.22586	3.0
271.20535	6.1
281.22568	4.6
295.24109	2.7
297.25775	4.5
323.27313	40.9
341.13690	3.8
341.21262	4.4
341.24432	5.6
341.28363	76.7
342.29163	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	341.1746
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
53.03942	1.7
54.50280	0.7
55.01859	1.3
55.05503	1.9
58.47387	0.7
58.97624	0.7
63.02358	0.7
65.03931	1.8
67.05491	3.5
69.07062	2.4
69.27573	6.7
69.27970	1.5
71.05011	0.8
77.46420	0.8
78.04698	1.3
79.05476	5.7
80.02602	0.9
81.04105	0.8
81.07051	4.8
91.05475	14.3
93.07042	2.5
94.04210	4.0
95.04956	8.0
95.08590	1.9
98.20776	1.1
103.05461	33.1
105.04494	1.3
105.07018	6.4
107.04230	1.0
107.04945	16.8
107.08575	0.9
109.06534	3.9
111.04436	1.2
115.05431	4.7
117.07008	14.6
119.04926	4.1
119.08563	1.7
121.06505	41.3
122.03654	8.3
123.04424	9.6
123.08010	1.4
123.11739	1.0
125.05951	2.5
128.06183	2.6
129.07001	4.4
131.04930	32.9
131.08585	2.4
133.06490	4.5
134.07233	1.1
135.04390	2.1
135.08051	6.8
136.05177	1.9
137.05972	100.0
138.03099	2.0
138.06332	2.4
139.03848	1.1
142.07695	1.2
143.04921	1.9
143.08521	2.5
144.05740	1.7
145.06476	14.0
145.10114	3.5
147.04366	2.2
147.08034	11.7
147.11624	0.9
149.05943	2.0
149.09589	1.6
151.07578	6.5
153.05479	13.7
153.06857	1.7
155.08565	1.5
157.06485	5.8
157.10150	5.8
159.08070	3.7
160.05084	1.0
160.08821	1.2
161.05995	4.6
161.09631	5.8
163.07533	66.9
164.07956	1.9
165.06949	1.9
165.09203	0.9
167.08609	2.3
170.07251	1.5
171.08035	4.4
173.09593	2.7
175.07489	3.4
175.11034	0.9
176.08264	1.4
177.05481	1.7
177.09097	34.6
177.12558	1.1
179.07011	5.5
179.08463	1.5
181.06505	1.5
183.07986	1.1
185.09627	5.9
187.07451	1.9
189.09047	2.4
189.12787	2.0
190.60434	0.9
191.10692	2.2
193.06697	1.3
193.08568	3.4
195.07936	1.1
196.05154	2.2
197.09560	0.9
199.07541	1.0
201.09082	1.6
201.12753	4.0
203.10658	13.8
205.12161	0.9
207.08067	2.4
209.05911	1.2
210.06815	2.1
211.07503	3.2
211.11147	1.1
213.40602	0.8
217.12230	47.3
218.12683	2.0
221.05989	1.2
221.09593	1.8
223.07597	1.5
225.05577	1.2
225.09016	1.9
226.06192	1.6
227.06892	4.3
235.07527	3.2
236.08131	1.0
239.07039	3.8
239.10760	1.9
241.08624	2.3
242.05800	1.0
243.06583	0.9
249.09105	1.1
249.12791	2.8
253.08592	5.2
253.15860	0.9
257.07947	1.5
259.07254	0.9
259.09598	4.6
267.10114	5.9
268.10764	1.0
271.09598	5.3
277.12219	6.3
278.12680	0.9
281.11783	1.8
281.15277	4.5
285.11163	1.4
295.13248	1.6
299.12625	2.9
309.14844	14.4
341.13754	2.0
341.17438	24.0
341.24551	1.2
342.17816	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1745
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
51.02385	1.2
53.03942	0.8
55.01866	2.1
55.05501	1.4
59.04995	1.0
63.00352	0.6
65.03935	2.7
67.05503	4.8
69.07069	0.7
69.84440	0.5
69.87339	2.3
69.87770	1.2
77.03928	0.7
78.04697	0.9
79.05486	5.6
80.02647	1.4
81.07054	3.3
83.51105	0.5
91.05466	16.3
93.03397	0.7
93.07031	2.5
94.04167	3.9
95.04964	8.5
95.08601	1.5
103.05464	34.3
104.05792	0.7
105.04504	1.2
105.07029	7.5
107.04957	5.7
107.08575	1.7
109.06519	3.7
115.05447	6.1
116.06239	0.8
117.07007	16.8
119.04935	5.5
119.08574	2.0
120.05728	0.7
121.06498	46.1
122.03642	8.0
122.06875	1.2
123.04406	7.9
123.08051	1.1
125.05974	2.1
128.06232	3.7
129.06999	6.2
130.07729	0.8
131.04919	32.5
131.08531	3.0
133.06473	4.2
135.04372	1.7
135.08020	4.7
136.05177	1.6
137.05966	100.0
138.03113	2.5
138.06313	2.3
139.03894	2.3
141.06944	1.0
142.07782	1.5
143.04907	1.5
143.08543	2.7
144.05698	1.6
145.06488	16.3
145.10144	2.9
147.04398	2.3
147.08047	11.7
147.09122	1.3
149.06003	2.1
151.07561	6.4
152.06157	0.7
153.05460	16.6
153.06798	1.3
155.06018	0.8
155.08466	1.2
157.06490	7.7
157.10089	5.5
158.07228	1.7
159.08011	4.9
160.05190	0.9
160.08855	0.7
161.05904	3.6
161.09610	5.1
162.06659	0.8
163.07532	71.5
164.07852	2.1
165.06963	1.2
165.09108	1.8
167.08537	2.5
169.06447	0.7
170.07239	1.4
171.08023	4.5
173.09621	2.1
174.06854	0.6
174.10306	0.8
175.07487	1.7
176.08258	1.7
177.09096	40.0
177.12653	1.2
178.09409	0.9
179.07068	7.8
179.08531	1.6
181.06477	1.5
183.08105	1.4
185.09598	6.1
187.07584	1.7
188.08224	0.8
189.09065	1.9
189.12703	3.8
191.10661	2.2
193.06624	0.8
193.08577	2.4
196.05171	1.1
197.05893	1.1
199.07565	1.2
201.08986	0.9
201.12755	2.8
202.13493	0.9
203.08803	0.7
203.10655	14.0
204.11024	0.9
207.08031	2.7
209.06082	0.7
210.06721	1.8
211.07439	3.1
213.05453	1.3
213.09117	1.2
217.12219	48.5
218.12662	2.3
221.05916	1.4
221.09639	1.7
225.05392	1.2
225.09048	1.8
226.06355	0.9
227.07005	4.4
227.10580	1.0
233.11684	1.5
235.07570	3.0
235.11078	0.8
236.08163	0.8
239.07030	3.7
239.10703	0.9
240.07613	1.1
241.08615	2.7
249.09114	2.1
249.12811	2.9
253.08630	4.0
253.12163	0.8
256.07199	0.9
257.08081	2.6
259.09525	3.6
265.08395	0.8
267.10175	4.5
267.13913	0.8
271.09601	6.4
277.12213	8.4
281.11990	1.4
281.15350	5.4
285.11356	1.6
291.13849	1.0
295.13309	1.0
299.12759	3.7
309.14798	15.8
341.17426	26.3
342.17834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01868	1.5
55.05507	1.6
59.04987	1.6
65.03943	2.5
66.04726	0.9
67.05505	4.5
69.03432	1.1
69.07059	2.4
69.75979	2.5
71.04950	0.7
73.66258	0.6
77.03909	0.9
78.04684	0.7
79.05493	6.3
80.02632	1.3
81.03416	1.0
81.07043	6.4
83.04987	0.6
83.08617	0.8
85.02946	0.7
91.05467	13.7
93.03395	0.8
93.07042	3.3
94.04166	4.0
95.04956	8.5
95.08595	3.5
97.06492	0.9
103.05462	30.3
104.05770	1.0
105.07031	7.2
107.04948	28.0
107.08585	2.5
109.02892	1.3
109.06503	4.3
109.10166	1.8
111.04382	1.5
112.68607	0.5
115.05424	4.3
116.06268	0.8
117.07013	16.2
119.04948	5.5
119.08559	2.6
121.06499	42.7
121.10143	1.1
122.03646	6.6
123.04437	8.4
123.08079	1.5
123.11710	0.8
125.05965	1.2
128.06210	2.3
129.06978	4.8
130.07794	1.1
131.04924	30.3
131.08572	4.2
132.05605	0.6
133.06471	3.8
135.04405	1.4
135.08038	4.9
135.11617	0.7
136.05186	1.3
137.05971	100.0
138.03101	1.8
138.06285	2.9
139.03864	1.7
141.06961	1.9
142.07765	1.7
143.04935	3.2
143.08540	2.7
144.05659	1.9
144.08009	0.7
145.02788	0.8
145.06471	13.0
145.08334	0.7
145.10141	3.5
146.07199	0.9
147.04443	3.3
147.08037	13.5
147.11703	0.7
149.05989	1.5
149.09619	1.7
151.07555	6.0
152.06238	0.7
153.05467	14.0
153.06921	1.9
155.08514	1.7
157.06464	6.5
157.10129	5.4
159.08017	4.3
160.05229	0.8
160.08842	0.8
161.06018	2.9
161.09604	4.9
162.06808	1.1
163.07535	66.8
164.07878	2.4
165.07005	1.2
165.09094	1.0
167.07112	1.0
167.08556	1.5
170.07271	1.4
171.08052	4.3
171.11609	0.7
173.06012	0.8
173.09621	1.5
175.07498	3.5
175.11206	1.2
176.08328	1.2
176.65726	0.6
177.05435	2.5
177.09096	34.3
177.12621	1.3
178.07834	0.7
178.09355	0.8
179.07076	6.4
179.08533	1.3
181.06490	1.7
183.08080	1.8
184.05238	1.1
185.09592	6.9
187.07576	2.2
187.11201	0.6
189.09099	2.1
189.12764	2.7
191.10675	2.2
193.06683	1.0
193.08588	2.2
197.05963	1.1
199.07533	1.8
201.09097	1.5
201.12730	3.1
202.09637	0.7
202.13449	0.7
203.06866	1.0
203.08694	1.2
203.10646	13.7
207.08070	2.4
209.05968	1.3
210.06764	1.1
211.07462	3.4
213.05397	1.5
213.09221	0.7
217.08832	1.1
217.12227	41.7
218.12677	2.1
219.10176	0.6
221.06001	1.2
221.09604	1.4
221.13220	0.8
223.07582	1.0
225.05322	1.0
225.09135	1.3
226.06233	1.5
227.06996	3.8
228.07549	0.7
233.11580	1.4
235.07523	2.7
236.08311	0.6
239.07002	4.9
239.10648	1.4
241.08502	2.5
249.09081	2.0
249.12737	2.7
253.08580	4.0
257.08051	2.0
259.09622	4.1
265.08707	0.8
267.10196	5.0
267.13077	0.9
271.09604	4.8
277.12241	5.7
281.12119	1.5
281.15384	4.2
283.09668	0.7
285.11154	1.3
291.13742	1.1
295.13333	1.8
299.12711	3.3
309.14792	12.8
310.15244	1.1
323.12698	1.2
341.13782	3.7
341.17453	24.8
341.24374	1.2
342.17618	1.8
356.09772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
Peak:m/z	Relative Intensity
53.03932	1.5
54.69518	0.8
55.01860	2.5
55.05503	2.3
55.43309	0.6
59.68719	0.7
61.45644	0.7
65.03931	3.0
67.05496	4.1
69.03415	2.2
69.07056	3.5
71.04977	1.0
71.51175	1.5
71.51546	0.8
72.43872	0.7
74.98813	0.7
77.03933	1.2
78.04691	1.4
79.05493	8.5
80.06266	1.0
81.03384	1.5
81.07047	7.1
83.04955	1.2
85.02870	0.8
85.06538	2.6
91.05457	7.7
93.03391	2.4
93.07053	4.7
94.04166	1.2
95.04976	5.9
95.08620	5.5
97.06514	3.4
102.04683	13.5
103.05452	9.0
105.03351	3.0
105.07030	14.3
107.04954	35.4
107.08576	3.6
108.05757	5.8
109.02857	3.0
109.06506	3.0
109.10105	4.0
111.11726	0.8
115.05447	5.2
117.07010	3.6
118.04153	2.7
119.04932	10.7
119.08567	2.7
120.02086	1.2
121.02858	3.3
121.06490	5.0
121.10126	3.2
122.03654	2.2
123.04419	10.6
123.08049	1.1
123.11696	2.5
124.05203	4.1
128.06210	1.0
129.03360	7.1
129.07022	1.4
130.04150	15.2
131.04945	7.7
132.05713	1.0
133.06479	9.8
133.10132	2.9
135.04404	11.3
135.07982	1.0
135.11664	1.7
136.05179	13.4
137.05977	30.2
139.03987	1.0
141.06985	2.2
142.07761	1.1
143.08598	1.1
145.02869	1.5
145.06465	3.9
146.03664	6.8
146.07359	0.8
147.04407	60.8
147.08047	1.7
147.11697	1.1
148.04893	1.5
149.05927	2.1
149.13202	0.9
150.06789	0.9
151.03944	1.3
151.07561	1.5
151.11150	1.1
152.06238	3.0
153.05479	2.4
158.07248	0.8
159.08081	1.4
159.11717	0.9
161.05978	31.2
161.09567	1.5
162.06755	91.8
163.03896	3.4
163.07538	12.1
165.07002	2.5
166.07690	1.0
167.07159	0.9
167.08560	3.3
169.06462	4.0
175.03908	1.6
175.07573	1.4
177.05490	13.6
177.06943	1.2
177.09038	2.9
178.05661	0.8
178.07741	1.2
178.09927	6.6
179.05885	1.8
179.07220	1.5
181.06450	1.7
182.58827	0.8
183.08070	1.3
184.05098	0.8
185.05867	1.9
185.13234	0.8
187.07547	4.3
191.14468	0.8
193.06647	0.9
193.08640	1.0
194.07253	1.8
195.08115	5.6
197.05928	3.8
199.07512	1.1
201.09140	1.3
202.09836	1.2
203.14253	1.0
205.06488	2.7
205.08372	1.1
207.07941	0.9
211.07478	2.3
212.04648	0.9
212.08386	1.2
213.05484	2.9
214.06284	1.8
221.05957	1.3
222.06807	2.5
223.07497	12.6
223.09518	1.6
224.07854	0.9
225.05499	2.8
227.07065	1.6
229.08571	1.8
230.05721	2.6
233.05981	1.0
234.06776	2.6
239.07054	3.9
240.07780	3.2
242.05582	0.9
243.06256	0.8
245.08084	21.5
248.08247	1.4
250.06247	3.2
251.07024	15.6
255.10146	2.2
257.08075	30.8
258.08347	1.3
263.10550	1.5
265.08575	2.7
267.06638	2.9
268.07330	7.6
271.09689	5.0
271.12305	0.8
281.08054	4.3
281.11282	1.4
283.09637	100.0
284.10068	2.9
287.09076	6.1
291.10251	2.7
299.09189	39.7
299.12723	5.6
300.09497	0.9
301.10675	0.9
305.24860	1.4
309.11197	1.7
323.12881	3.6
323.25848	1.1
341.06744	2.4
341.13815	35.0
341.17142	1.7
341.20847	1.3
342.14371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.76045	1.3
53.03938	2.2
55.01870	1.5
55.05501	3.3
56.75876	1.5
56.78401	1.3
57.07063	2.1
67.05502	6.6
69.03422	1.9
69.07055	4.9
69.55241	6.9
69.55649	2.4
71.04984	6.4
78.36007	1.4
79.05492	8.4
79.39046	1.3
81.03432	2.8
81.07051	11.3
83.04958	2.7
83.08649	1.7
85.06543	3.9
91.05462	11.5
93.03413	2.1
93.07051	5.1
94.04174	2.9
95.04961	4.5
95.08606	9.1
97.05521	1.4
97.06519	2.8
99.04469	2.4
100.11237	3.0
102.04683	4.2
103.05471	6.5
105.07031	10.2
107.04944	30.9
107.08589	5.3
108.05750	1.4
109.02885	3.1
109.06522	4.3
109.10163	7.6
111.04452	2.4
115.05473	3.9
117.06992	3.3
119.04943	5.1
119.08582	3.8
121.06518	4.2
121.10150	6.2
122.03658	6.3
123.04432	4.3
123.11674	2.6
125.05999	1.9
128.06245	3.2
129.03366	1.5
129.07011	7.2
130.04163	4.8
131.04900	9.5
131.08557	4.2
133.02863	6.2
133.06480	5.9
133.10126	5.6
135.04416	8.1
135.11687	3.0
136.05249	2.9
137.05975	100.0
138.06317	2.8
142.07712	1.7
143.04947	1.7
143.08636	1.8
144.05696	2.3
145.02840	1.7
145.06493	4.0
145.10149	2.0
147.04402	25.4
147.07985	1.7
147.11623	1.7
149.05995	5.2
149.09593	2.6
149.13303	1.9
151.03899	3.4
151.07529	6.2
153.05484	2.0
157.06461	6.1
157.10127	1.8
159.08060	1.8
159.11687	1.9
160.05197	4.7
161.05948	14.6
161.09570	2.9
162.03169	2.4
162.06754	41.3
163.03867	3.7
163.07561	9.6
163.14862	2.4
165.05481	4.1
165.07014	2.6
168.05730	1.6
169.10167	1.4
171.04482	1.6
171.08083	1.5
172.05121	3.3
173.06000	1.7
173.09599	2.1
174.06775	6.7
175.07523	18.4
177.05472	16.8
177.09081	4.2
178.05988	1.7
178.10016	1.6
179.03383	1.4
179.07045	4.3
182.15367	2.6
185.05943	2.8
187.07547	26.5
189.05414	1.6
189.09094	10.2
191.03381	2.0
191.06923	1.6
191.08569	3.0
195.08029	3.4
196.05219	4.6
197.05954	5.1
199.07494	3.5
202.07863	2.2
203.08615	10.7
203.10329	2.4
205.06569	2.6
205.08467	1.5
210.14943	3.6
211.07524	19.4
212.04657	1.5
213.05373	3.6
217.08586	11.9
218.07283	1.5
219.08118	8.7
220.08885	8.1
221.05939	1.7
221.09715	1.8
222.06738	1.9
223.07568	3.9
225.05482	1.9
227.07025	15.5
228.07758	1.5
231.08086	12.7
232.08847	2.3
233.06047	2.5
234.06769	2.1
235.07658	2.4
236.08197	3.2
237.09094	2.5
239.07008	12.5
240.07831	13.4
241.08548	2.0
245.08009	7.5
247.07591	5.0
248.08298	22.2
249.09113	3.9
250.06108	1.9
251.07150	7.5
251.10754	3.1
253.08533	2.4
253.12158	1.9
254.09459	2.1
255.06519	9.5
255.10150	2.0
256.07343	7.7
257.08063	11.9
259.07568	5.3
261.09143	1.7
263.07587	2.5
263.10632	19.1
264.07874	2.0
264.10864	1.5
265.08682	7.1
267.10147	1.6
268.07324	6.4
268.21472	2.0
269.08090	1.8
270.08823	20.5
271.09622	41.4
276.07800	13.0
277.08545	5.8
279.10074	9.5
281.08142	3.5
281.11636	2.9
283.09622	54.0
284.10025	1.9
287.09293	2.2
291.10132	45.5
292.10751	4.9
293.08078	5.1
296.10431	6.5
297.11200	3.9
299.09149	13.2
299.12573	3.6
305.11624	1.9
305.24673	1.9
307.09366	1.8
308.10449	7.9
309.11182	2.1
311.12817	9.6
313.14291	4.0
323.12802	35.9
341.06949	2.1
341.13818	43.4
341.16742	2.1
341.21045	4.2
341.24863	1.8
342.14233	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.28319	1.1
64.93128	1.1
67.05500	1.6
69.03426	1.3
70.96549	2.3
71.04980	4.4
71.55155	1.1
72.02310	1.1
73.42799	0.9
79.05489	2.3
81.07041	4.4
83.04987	1.1
91.05489	4.5
91.27171	1.0
92.30241	1.0
93.07045	2.2
94.04166	2.6
95.04987	2.0
98.21264	1.4
103.05471	2.2
105.07027	1.3
107.04942	4.5
109.06497	2.7
109.10168	1.9
111.04440	1.3
115.05464	2.1
117.07011	1.3
119.04937	1.7
119.08595	1.6
121.06540	1.6
122.03648	6.0
123.04421	2.1
128.06197	2.0
129.06999	6.3
131.04929	3.4
133.02844	6.9
133.06499	1.4
133.10098	1.2
135.04411	2.1
137.05974	100.0
138.06288	2.1
140.19164	1.2
143.04953	1.5
144.05721	2.9
145.02943	1.3
145.06462	2.8
146.07159	1.2
147.04417	3.4
149.05983	5.1
151.03841	1.6
151.07513	6.1
153.05475	2.6
157.06508	4.5
159.04318	1.3
160.05190	4.5
161.05960	4.2
161.09570	1.4
162.06752	4.5
163.07516	5.1
165.05434	4.1
165.06778	1.2
168.05688	1.3
172.05194	3.2
174.06834	5.2
175.07532	18.3
177.05461	7.8
177.09126	2.8
179.07018	4.8
187.07530	32.8
189.09091	11.7
191.03412	1.5
191.07025	1.5
191.08606	2.7
196.05150	5.0
197.05899	2.2
197.12791	1.2
199.07533	3.1
202.07770	2.7
203.08556	14.9
205.06566	2.6
205.08424	2.3
208.08862	2.1
211.07541	20.9
212.04689	1.4
213.05440	4.4
213.08966	1.1
217.08575	12.0
219.08032	9.1
219.09985	1.8
220.08864	5.8
221.09619	2.2
223.07590	1.5
225.05392	1.5
227.07018	13.7
228.07704	2.0
231.08040	15.3
232.08705	4.3
233.06007	2.5
233.09633	1.5
235.07588	1.8
236.08307	2.0
237.09084	3.2
239.07059	14.2
240.07819	12.3
241.04922	1.9
241.08377	1.3
247.07535	7.0
248.08311	21.5
249.09036	4.4
250.06316	1.7
250.09843	1.5
251.10709	4.8
253.08481	1.8
253.12227	1.3
255.06508	12.4
256.07288	8.3
257.08051	2.0
259.07504	5.1
260.08304	3.4
261.09079	3.1
262.10007	1.5
263.07086	1.2
263.07593	1.6
263.10651	19.9
264.07779	3.2
264.10681	1.5
265.08621	6.0
268.07312	4.7
269.08005	1.9
270.08850	26.6
271.09625	42.0
272.09692	1.4
273.09232	1.2
276.07852	11.1
277.08630	6.8
279.10168	12.1
280.11023	2.2
281.07956	2.5
281.11722	3.1
282.08859	1.5
283.09607	17.3
285.11212	2.1
291.10138	53.7
292.10812	4.5
293.08087	6.2
296.10422	4.9
297.11240	4.9
299.08939	1.6
305.11829	2.3
308.10437	8.0
309.11188	1.7
311.12741	10.8
313.14236	3.3
323.12781	38.3
324.12997	1.5
341.10251	1.1
341.13803	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	341.1382
Annotation	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
Peak:m/z	Relative Intensity
51.02356	0.8
53.03933	1.2
55.01857	2.8
55.05503	1.2
56.96558	0.8
65.03934	2.8
67.05508	1.3
69.03404	0.8
69.07074	1.5
71.04972	1.3
71.10288	1.1
71.10636	1.4
77.17516	0.6
78.04694	1.2
79.05495	6.8
80.06245	1.1
81.03416	1.4
81.07050	3.0
83.05009	0.7
83.08612	0.8
90.77175	0.6
91.05473	11.1
93.03386	2.7
93.07048	2.4
94.04174	2.1
95.04963	5.4
95.08602	2.1
97.06543	3.5
102.04681	11.8
103.05464	8.3
105.03398	2.6
105.07037	13.3
107.04956	38.8
107.08583	2.4
108.05759	5.0
109.02887	1.6
109.06518	2.2
109.10156	1.5
110.03642	0.8
111.04450	0.7
115.05450	5.9
117.07025	5.2
118.04140	2.1
119.04945	9.5
119.08583	2.7
120.02067	1.6
121.02878	2.5
121.06518	9.8
121.10145	1.4
122.03662	3.1
122.07299	3.6
123.04417	8.2
124.05218	4.4
125.05950	1.2
128.06247	2.0
129.03362	6.5
129.06999	1.7
130.04146	15.5
131.04938	11.6
131.08549	1.5
133.06474	12.2
133.10097	0.7
134.07230	1.0
135.04396	12.0
135.08026	1.9
136.05197	12.4
137.05977	43.9
138.03075	2.1
138.06357	1.1
139.03920	1.6
141.06975	3.1
143.04956	1.3
143.08574	1.3
144.05676	1.7
145.06485	5.9
145.10103	0.9
146.03624	5.7
146.07265	1.6
147.04405	55.7
147.08032	14.0
147.11702	1.0
148.04744	1.0
149.05949	1.8
149.09586	1.2
150.06740	1.6
151.03857	1.3
151.07579	1.3
152.06174	1.9
153.05470	9.4
153.06783	1.0
154.07684	0.7
155.08594	0.9
157.06560	1.5
157.10184	1.0
159.08029	1.7
159.11642	1.0
160.08896	1.6
161.05983	28.3
161.09608	5.7
161.13248	1.2
162.03206	3.5
162.06757	100.0
163.03923	3.5
163.07541	16.3
165.05739	0.6
165.06964	3.5
166.07816	1.3
167.07324	0.8
167.08597	4.1
168.05627	1.0
169.06483	4.9
171.08093	1.4
171.11636	1.0
173.09610	2.3
174.06776	1.1
175.07529	0.8
177.05487	15.6
177.06918	1.3
177.09074	5.1
178.09883	6.7
179.07069	1.8
179.10664	0.9
181.06525	1.3
183.08101	1.2
185.05954	1.8
187.07520	2.0
187.11147	1.1
193.06627	0.7
193.08565	2.7
193.64755	0.7
194.07300	1.4
195.08049	6.6
197.05962	4.3
199.07498	0.8
201.09171	1.8
201.12738	5.0
202.09909	2.2
205.06552	1.1
205.08545	0.7
207.08063	1.2
209.05887	0.8
211.07536	3.5
211.10994	0.6
212.04633	0.9
212.08316	0.8
213.05513	3.1
214.06245	1.5
217.12257	2.0
221.05968	1.4
222.06757	2.5
223.07510	13.5
223.09486	1.1
225.05391	1.2
226.06122	0.7
227.07066	1.6
227.10603	1.1
229.08554	1.2
230.05760	2.8
233.05829	0.9
234.06833	1.6
235.07570	1.0
237.09177	1.2
239.07018	4.1
240.07823	3.5
242.05820	1.8
245.08095	23.3
246.08414	0.9
250.06300	3.0
251.07034	18.7
253.05034	0.9
253.15627	1.0
255.10118	2.7
257.08096	34.2
258.08588	1.1
259.09613	0.8
259.20685	0.7
263.10706	0.8
265.08621	2.6
267.06406	1.7
267.09851	0.8
268.07318	7.8
269.07993	1.3
271.09708	6.6
277.12125	0.9
281.08090	3.0
281.11728	0.9
281.15298	1.0
283.09647	99.6
284.09958	3.2
287.09119	6.0
289.09558	1.0
291.10172	1.5
295.09500	0.8
297.11304	0.8
299.09213	36.1
299.12744	6.6
300.09528	1.2
301.10626	0.8
309.11011	1.0
309.14792	0.8
323.12750	5.0
323.16190	1.0
341.06744	2.0
341.13818	30.4
341.17520	4.9
341.24814	0.9
342.14185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.02376	0.4
53.03940	0.6
55.05504	0.3
61.06770	0.2
67.05505	0.3
69.03426	0.3
69.07053	0.4
69.63623	1.5
71.04988	0.2
77.03911	0.4
79.05498	1.5
81.03428	0.3
81.07061	0.9
85.06538	0.4
91.05481	0.9
93.07030	1.1
94.04165	0.5
94.07347	0.3
94.84216	0.2
95.04953	1.3
95.08610	0.6
99.04453	0.3
103.05468	0.5
105.04484	0.3
105.07018	0.6
107.04950	100.0
107.08595	1.0
108.05272	1.5
109.10156	0.9
109.60952	0.3
115.05462	0.3
117.07021	0.2
119.08574	0.4
121.06511	0.4
121.10123	0.3
122.03632	1.7
131.05000	0.5
131.08537	0.3
133.06459	0.3
133.10104	0.6
135.04395	0.4
137.05971	37.7
138.06300	0.7
141.68755	0.2
145.06505	0.4
145.10133	0.4
147.04395	0.5
147.08061	0.7
149.05969	0.3
151.07556	0.4
151.11407	0.2
153.05396	0.4
157.06519	0.2
159.07985	0.3
161.05981	0.5
161.09648	0.2
162.06737	0.4
163.07533	0.8
175.07564	0.5
177.05490	0.5
187.07541	0.9
189.09097	0.5
203.08488	0.3
205.08650	0.6
207.10075	0.3
211.07474	0.5
217.08527	0.4
219.08159	0.4
227.06908	0.3
235.09622	6.5
239.06946	0.4
248.08360	0.5
255.06538	0.3
263.10602	0.5
265.08554	0.4
270.08792	0.6
271.09613	1.1
279.10144	0.3
283.09689	0.2
291.10068	1.1
295.13205	0.3
297.11386	0.3
305.24725	0.2
308.10519	0.3
309.11249	0.4
311.12534	0.4
323.12747	0.8
341.13873	2.6
341.17487	0.7
341.20267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0866
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03934	0.2
55.01874	0.3
57.03402	0.2
58.15554	0.2
61.02914	0.4
67.05482	0.2
69.03438	1.0
69.17156	2.0
71.05007	0.2
73.02912	0.2
73.04733	0.2
77.03954	0.2
79.05471	0.4
81.03402	0.4
85.02909	1.7
89.03922	0.3
91.03924	0.2
91.05807	0.4
95.04972	0.4
97.02905	0.9
98.20815	0.4
105.03400	0.5
105.07028	0.4
107.04951	0.3
109.02870	0.6
111.04370	0.2
115.05419	0.2
117.03333	0.3
119.99606	0.2
123.04422	10.3
127.03906	0.5
133.02850	9.6
133.06433	0.3
135.04405	2.2
137.02301	0.2
137.05949	0.6
139.03911	0.2
147.04428	0.2
147.08015	0.2
151.03905	3.7
152.06943	0.2
163.03865	0.3
163.07550	0.2
175.07387	0.2
179.03386	100.0
180.03726	1.7
181.04962	0.2
256.82895	0.2
271.59396	0.2
324.12170	0.2
341.08707	1.1
341.12601	0.2
359.02817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
56.05711	0.8
58.19048	1.0
65.03928	1.4
67.05491	4.4
69.03402	3.3
69.07041	1.1
70.06584	1.0
70.18865	3.5
70.19202	1.5
71.04977	1.8
74.28504	1.0
79.05476	5.8
81.03409	3.5
81.07050	6.5
83.04965	1.7
85.02888	2.9
89.03902	1.4
91.05478	5.6
93.05756	1.3
93.07016	3.7
94.06551	2.9
95.04974	2.6
95.08601	1.5
96.08105	3.5
97.02878	1.7
97.06499	1.4
98.20801	1.1
99.04449	2.0
105.07015	1.4
106.06582	1.7
107.07327	1.2
108.08102	3.2
109.02853	2.4
109.06504	2.3
110.06054	8.0
115.05457	1.6
117.03378	5.1
119.04947	8.4
120.04419	1.3
121.10210	1.4
122.06020	25.8
123.06785	3.1
124.07592	17.6
127.03889	2.6
131.04927	1.6
134.06013	6.7
135.04382	3.7
136.07571	80.8
137.05957	1.1
137.07906	2.5
138.05461	1.1
140.07100	6.9
145.02834	10.5
147.04401	23.8
149.05948	4.9
150.05463	7.2
152.07059	100.0
153.07414	2.6
158.08156	1.7
160.07556	1.4
163.03891	3.7
164.07062	95.6
165.05426	1.1
165.07404	2.4
165.08943	1.1
166.08667	2.5
168.06523	3.7
170.08130	16.7
170.09464	1.8
173.05893	1.0
173.28322	1.2
177.05461	22.0
177.06902	1.8
180.06572	1.1
181.04955	1.1
182.08128	36.4
183.08411	1.7
198.34366	1.0
200.10699	1.2
205.06467	5.6
217.12184	1.3
219.02901	2.5
222.06598	1.0
233.05994	2.5
243.11238	1.3
250.06256	1.6
251.06964	2.1
260.12708	2.4
265.05002	1.1
279.04834	1.5
279.06812	1.6
281.04410	1.6
285.12360	3.4
292.96436	1.1
297.06647	2.0
303.13385	39.1
309.70770	1.1
321.06427	1.3
321.10529	1.9
321.14450	13.5
339.04572	1.2
339.08411	18.4
339.15002	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	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01869	1.3
55.05516	0.8
57.03437	1.7
61.02930	0.7
65.03938	0.9
67.05502	1.4
69.03426	7.6
69.03777	0.6
69.07075	0.7
69.90835	0.8
69.91250	1.5
71.04982	1.3
71.89509	0.4
73.02901	0.4
79.05505	1.6
81.02934	0.8
81.03416	15.7
81.07062	2.7
83.04974	0.8
85.02908	5.6
89.03915	8.7
89.04424	0.6
91.05479	20.5
93.07057	2.7
95.04961	1.3
95.08624	1.9
97.02902	1.9
97.06526	1.0
99.01318	0.4
99.04449	2.0
103.05468	0.6
105.07034	1.4
107.04951	0.9
107.08627	2.1
109.02889	6.1
109.06504	0.5
109.10172	1.2
111.04430	0.5
111.08110	0.8
114.41763	0.4
117.03380	23.6
117.07011	0.7
119.04921	1.1
119.08602	1.6
121.06512	0.7
121.10151	1.7
123.08076	0.6
123.11725	0.6
125.09698	0.4
127.03928	3.2
129.07095	0.6
131.04926	0.6
131.08604	1.1
133.06491	0.9
133.10153	0.7
134.03629	1.9
134.75497	0.4
135.04417	2.4
135.08119	0.4
135.11678	1.0
137.05995	3.1
145.02841	53.9
145.10141	0.7
146.03203	0.9
147.04453	0.9
147.11711	0.8
149.05984	10.1
149.09605	0.6
151.03954	0.7
151.07520	0.4
151.11188	0.4
157.10051	0.4
159.04390	0.4
159.08060	0.8
159.11725	0.6
162.03191	0.6
163.03885	2.3
171.08087	0.6
175.03864	0.5
175.14738	0.5
177.05467	100.0
178.05850	1.7
186.05519	1.6
187.14995	0.5
191.03429	0.6
195.06578	2.8
203.07042	0.9
207.06516	1.0
219.02879	1.2
219.07962	0.6
220.77220	0.4
247.07625	0.7
252.10149	1.0
265.08496	0.5
277.08157	0.4
279.06479	0.6
280.09869	0.5
303.06314	1.1
307.09647	0.7
310.10468	0.4
321.09674	12.9
321.24094	0.7
322.10583	4.3
322.13715	0.5
322.39948	0.4
339.11456	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.80195	0.3
53.03942	2.6
55.01875	0.8
55.05513	0.4
57.03432	1.0
61.02939	0.4
67.05502	0.8
69.03432	6.9
69.07071	1.1
69.91514	1.7
69.91928	0.6
71.04993	1.1
73.02905	0.8
78.04729	0.4
81.03416	18.8
81.07053	2.4
85.02898	5.9
89.03915	7.7
91.05499	1.1
93.07043	1.2
94.42373	0.4
95.04986	0.6
95.08614	1.1
96.14165	0.3
97.02890	1.5
98.20783	0.8
99.04459	2.3
99.08121	0.4
103.05439	0.6
104.09128	0.3
105.07000	0.9
107.05045	0.4
107.08579	0.9
109.02869	6.8
109.10162	2.0
113.05285	0.4
117.03377	23.9
119.08542	0.6
121.10143	0.9
123.11712	0.8
125.09574	0.3
125.28029	0.3
127.03901	2.1
131.08540	0.5
133.10153	0.6
134.03627	2.1
135.04413	2.0
135.11673	0.5
137.05969	2.7
145.02840	56.6
146.03186	0.9
147.11691	0.7
149.05968	9.4
151.11162	0.9
162.03084	0.6
163.03902	1.2
177.05463	100.0
178.05783	1.4
179.10715	1.0
186.05464	2.2
195.06482	3.1
215.10791	0.5
279.08533	0.6
321.09656	20.9
321.24362	0.4
322.10129	0.5
339.10791	3.1
339.15610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03949	2.2
53.64593	0.3
55.01866	0.7
55.05502	0.4
57.03428	1.3
61.02928	0.6
63.02357	0.5
67.05502	0.7
69.03429	5.2
69.07061	0.4
70.83215	1.1
71.04985	0.7
73.02903	0.5
73.95265	0.3
78.04738	0.4
79.05482	0.6
81.03415	16.2
81.07053	1.2
85.02905	4.2
89.03915	8.5
91.05470	1.4
93.07034	0.7
95.04967	0.6
95.08607	0.5
97.02884	1.0
99.04448	1.3
106.04170	0.8
107.04963	3.5
107.08607	0.6
109.02871	5.1
109.10117	0.4
117.03378	23.7
119.08519	0.4
121.06504	0.7
121.10144	0.9
127.03892	2.3
134.03604	2.2
135.04379	1.8
135.11784	0.4
137.05959	1.0
145.02837	56.7
146.03192	1.1
147.04398	0.5
149.05972	9.5
161.05991	1.4
163.03896	1.6
175.07574	0.6
177.05463	100.0
178.05757	1.2
186.05489	1.4
195.06502	2.6
223.91934	0.4
261.05399	0.3
279.08740	0.7
281.08035	0.6
306.45981	0.4
321.09671	14.8
339.11050	2.3
339.15439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.07966	1.4
58.43559	1.9
63.30864	1.8
65.03949	1.9
67.05484	1.8
69.03407	1.9
69.85744	10.1
79.05492	2.6
81.07058	3.5
91.05481	12.7
94.06604	2.2
95.04967	2.3
96.08139	2.3
98.21402	2.3
106.30743	1.5
110.06000	3.7
115.45501	1.5
117.03368	1.7
119.04950	26.0
120.04497	1.6
122.06021	11.8
123.06814	2.5
124.07600	10.7
133.56509	1.4
134.06024	8.5
136.07562	46.7
140.07034	2.7
140.59343	1.8
145.02872	4.6
147.04402	100.0
149.06039	2.4
150.05534	3.1
152.07057	57.5
157.26830	1.7
163.03963	2.7
164.07063	54.7
170.08151	7.1
177.05482	11.6
182.08133	16.6
260.12811	2.5
267.09146	1.9
303.13370	31.3
321.14435	7.6
339.08359	7.8
339.15503	3.4
339.40195	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03949	1.9
55.01240	0.3
55.01870	0.5
55.05497	0.9
57.03418	1.2
57.79676	0.4
61.02913	0.7
67.05495	1.1
69.03435	4.8
69.07061	0.8
71.04996	0.6
73.02915	0.8
78.99136	0.3
79.05476	0.8
81.03412	14.1
81.07056	2.2
85.02900	4.8
89.03912	7.6
91.05484	1.0
93.07011	1.0
95.08609	1.7
97.02894	1.3
97.10165	0.8
99.04433	1.3
103.05474	0.6
107.04938	0.4
107.08594	1.4
109.02860	4.7
109.10152	2.2
112.64430	0.4
117.03373	23.9
119.04932	0.4
119.08596	0.6
121.10149	1.0
123.11679	0.9
127.03931	1.4
133.10075	0.7
134.03601	1.6
135.04431	2.4
135.11711	0.5
145.02835	53.4
145.10083	0.6
149.05968	8.5
151.11139	0.5
162.03111	0.7
163.03902	1.0
177.05460	100.0
178.05757	1.2
179.10583	0.8
186.05486	1.3
195.06532	2.1
207.06512	0.7
212.68541	0.5
222.94341	0.4
228.10246	0.5
230.03621	0.5
253.18607	0.5
279.08356	0.5
303.23038	0.6
321.09653	12.4
321.13361	0.7
321.24225	0.7
322.17950	1.1
339.11353	1.9
339.15741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.07218	0.4
52.07680	0.4
53.03940	1.1
55.01868	1.3
57.03422	0.8
57.03671	0.5
69.03423	4.4
71.04984	0.5
71.29182	0.5
71.36053	1.1
81.03411	9.5
85.02911	3.9
89.03909	7.9
91.05479	4.3
97.02881	1.9
99.04426	1.4
106.04148	0.5
107.04964	0.5
109.02878	4.4
113.50352	0.5
114.05648	0.5
117.03377	23.0
119.04947	2.8
123.04411	5.8
127.03899	2.6
129.06973	1.0
134.03610	1.4
135.04419	1.9
135.34253	0.4
137.02315	0.5
137.05969	7.6
143.57310	0.4
144.08017	0.4
145.02841	53.2
146.03140	0.7
147.04384	0.4
149.05972	7.1
155.54564	0.4
156.08093	2.0
163.03937	1.3
167.07280	0.5
170.05998	2.9
177.05463	100.0
178.05779	1.7
184.07623	3.6
186.05505	11.7
195.06532	3.3
198.05530	1.7
199.06342	3.1
200.07066	4.4
212.07079	6.2
217.61499	0.4
220.07436	0.6
252.10159	0.7
263.09482	0.6
267.09061	0.5
279.08829	0.5
280.09692	1.1
299.75568	0.5
310.11029	0.5
321.09702	12.6
322.10718	34.5
323.11096	1.1
339.04630	0.5
339.10464	3.1
339.14175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05504	0.7
57.03434	1.0
58.21331	0.4
63.02382	0.6
67.05501	1.2
67.82063	0.3
69.03429	3.9
69.07072	0.5
69.91154	0.9
69.91567	1.2
71.04987	0.7
73.02914	0.6
79.05484	0.9
81.03416	7.4
81.03870	0.5
81.07045	2.9
85.02904	2.7
89.03915	7.9
89.04433	0.7
91.05488	2.1
93.07056	2.0
95.04971	0.4
95.08611	1.5
97.02871	1.8
97.10130	0.7
99.04457	1.2
103.05466	0.9
105.07044	1.2
106.04148	1.0
107.08572	1.3
109.02866	3.0
109.06523	0.6
109.10152	1.9
117.03379	25.7
119.04930	1.0
119.08601	0.7
121.06513	0.5
121.10175	0.6
123.11697	0.5
125.09613	0.7
127.03908	0.9
131.04948	0.8
131.08493	0.5
133.10133	1.2
134.03600	1.9
135.04407	3.4
135.11749	0.6
137.06009	0.5
139.11047	0.4
145.02844	52.5
145.06477	1.2
146.03139	0.8
147.04430	1.0
147.11711	0.5
149.05986	8.3
151.11183	1.3
157.06459	0.4
161.09634	0.6
163.03888	5.7
163.07603	0.6
173.05971	3.4
175.03966	1.5
177.05469	100.0
178.05807	1.5
179.10652	2.0
183.04427	0.7
186.05475	1.1
193.12294	0.5
195.06532	1.9
201.05479	8.9
207.06586	3.2
229.04980	2.4
255.06642	0.4
279.08731	0.7
279.98807	0.5
283.37778	0.4
297.07709	0.7
321.09659	7.0
321.24286	0.5
339.08588	2.6
339.11755	0.9
339.15549	0.6
339.25336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03945	1.8
55.01866	0.9
55.05506	1.0
57.03434	1.2
59.98221	0.3
63.02369	0.5
67.05496	1.3
69.03428	6.5
69.07063	1.6
69.92507	1.7
70.15040	0.3
71.04993	1.2
73.02921	0.6
79.05498	1.1
81.03415	13.3
81.07044	2.7
83.04988	0.5
83.08605	0.4
85.02903	4.4
85.06530	0.9
89.03909	6.9
91.05508	1.6
93.07044	2.0
95.04992	0.7
95.08614	2.0
97.02894	1.3
97.06544	0.5
97.10178	0.4
98.09762	0.3
98.20815	0.3
99.04456	1.4
100.11265	0.4
103.05460	0.5
105.07038	0.9
106.04202	0.5
107.04929	2.0
107.08595	1.9
109.02871	5.7
109.06525	0.4
109.10125	1.7
111.08093	0.6
114.31738	0.3
115.05473	0.3
117.03374	22.8
117.06998	0.4
119.04937	0.6
119.08562	1.3
121.06496	0.7
121.10146	0.9
123.04475	0.5
123.11695	1.0
125.09647	0.4
127.03914	2.1
127.19151	0.3
127.93871	0.3
131.04926	0.4
131.08603	0.3
133.10115	0.8
134.03647	1.7
135.04424	2.1
135.08063	0.5
135.11667	0.7
136.48660	0.3
137.02396	1.4
137.03304	0.3
137.05937	1.7
137.09616	0.6
139.07663	0.4
141.65724	0.3
143.08560	0.4
145.02837	53.5
145.10089	0.6
146.03290	0.3
147.04433	0.8
147.11684	0.9
149.05971	8.4
149.09546	0.3
149.13266	0.5
151.07515	0.4
151.11174	0.3
158.05994	0.4
159.11630	0.4
161.06009	1.3
161.13252	0.5
163.03848	1.5
163.07484	0.4
165.07053	0.4
167.62445	0.3
175.03909	0.3
175.07516	0.4
177.05460	100.0
178.05806	1.5
186.05473	1.5
187.07607	0.4
195.06502	2.9
201.05388	0.3
205.06529	0.3
207.06596	0.3
218.09399	0.3
247.07588	0.7
249.09233	0.4
251.07088	0.4
261.09113	0.4
264.07672	0.4
277.08496	0.6
279.06207	0.4
279.09842	0.3
281.07944	0.4
283.66626	0.3
295.06046	0.4
297.07407	0.3
303.23297	0.5
307.09656	1.4
309.10999	0.4
311.20197	0.3
321.09662	14.5
321.23935	0.6
322.10034	0.4
339.08441	1.4
339.11722	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	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
65.03919	0.9
69.03413	4.1
69.86950	1.0
71.01337	1.0
71.51416	1.6
79.05473	2.9
79.71638	0.9
81.03407	2.8
81.07027	1.7
85.02888	3.6
89.03912	6.3
90.89670	0.8
91.05464	4.2
95.01331	2.7
95.04935	1.8
97.02889	3.1
101.61106	1.0
103.05476	1.8
107.04951	2.6
109.02824	1.4
111.04459	1.0
115.05466	1.6
117.03357	9.8
119.04916	5.8
121.02884	2.3
122.06003	2.5
123.04421	3.7
127.03933	1.2
129.06973	1.3
131.04909	3.5
134.05968	1.0
135.04401	24.0
136.07545	6.4
137.05946	1.9
141.01817	1.3
145.02821	13.2
145.06468	1.4
147.04395	47.6
148.04837	0.9
149.02356	4.4
149.05972	9.4
150.05469	1.4
151.03850	1.5
152.07062	6.8
159.04355	3.2
159.06409	2.0
161.05989	3.3
163.03893	93.1
164.04301	2.3
164.07050	6.6
165.05424	1.2
167.06932	1.2
170.08040	1.0
173.05960	1.9
175.03848	5.5
176.04645	1.1
176.07085	3.8
177.01842	3.5
177.03929	1.9
177.05457	17.6
177.07378	4.9
182.08083	2.1
185.05873	0.9
187.03906	3.4
189.05449	2.7
191.03442	1.7
201.05493	1.2
203.03378	100.0
204.03720	2.7
205.04944	4.2
213.05432	1.9
215.03362	4.8
217.04829	1.3
217.12254	2.7
219.02904	2.1
219.06259	1.1
229.04939	2.3
231.02832	13.7
233.04428	4.3
246.05103	1.8
255.36440	1.0
261.03830	5.9
275.05493	1.5
279.04791	7.1
291.04935	5.1
303.13358	3.5
321.06348	1.3
321.14478	1.4
339.07224	4.2
339.11694	1.8
339.15768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03930	0.6
57.03416	0.7
61.02928	1.1
61.62518	0.6
69.03426	5.0
70.96125	0.8
70.96443	0.9
81.03403	1.5
84.08526	0.6
85.02895	6.0
87.04475	1.1
91.03944	0.8
91.05458	1.4
97.02880	1.7
99.04417	0.7
100.61304	0.7
104.61005	0.5
109.02883	1.3
118.06533	46.4
119.06856	1.5
127.03912	1.0
130.06517	65.9
131.06863	1.5
145.02849	1.6
147.04391	0.8
158.06001	34.7
159.06259	0.5
176.07057	100.0
177.05678	2.9
177.07312	3.9
190.07335	0.9
222.06300	1.3
236.07941	1.2
245.05910	0.6
246.06329	1.4
250.05757	3.1
264.07330	3.1
274.05737	3.9
278.05310	1.9
292.06873	4.3
295.05981	1.7
296.06308	15.4
297.06516	1.4
302.05212	2.1
310.07782	1.3
320.06302	6.7
320.10379	0.7
320.11484	0.7
338.07635	2.6
338.12289	28.4
339.12540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	0.6
57.03431	0.7
61.02921	1.1
65.79610	0.3
67.05503	0.4
68.50739	0.3
69.03435	4.2
71.05007	0.5
71.38745	0.5
71.59698	0.3
73.02904	0.5
76.86480	0.3
77.03918	0.5
81.03412	2.3
85.02904	7.2
87.04453	0.7
90.05450	0.3
91.03960	0.6
91.05476	1.1
97.02896	3.1
99.04413	0.8
103.05485	0.6
109.02858	1.5
111.31934	0.3
117.03379	0.9
118.06537	47.1
119.04924	0.5
119.06898	2.0
127.03910	1.5
130.06523	63.0
131.04924	0.4
131.06837	2.3
133.06483	0.4
135.04413	0.3
136.07623	0.4
137.02287	0.6
142.08641	0.4
145.02831	1.5
145.04977	0.4
146.05992	0.4
147.04398	1.5
148.07549	0.4
149.05931	0.5
150.05476	0.4
151.39960	0.3
158.06012	34.9
159.06352	1.3
159.10201	0.5
160.07530	0.6
176.07066	100.0
177.05481	3.4
177.07387	3.4
190.07294	0.5
195.06551	0.4
205.06529	0.3
208.08395	0.9
218.08253	0.5
222.06216	0.9
236.07867	1.3
246.06410	1.2
248.07819	0.6
249.05608	0.7
250.05855	3.3
263.06805	0.5
264.07367	3.0
274.05804	3.1
274.10782	0.9
275.06375	0.5
278.05307	1.8
281.29886	0.3
291.06616	0.4
292.06802	3.2
295.05948	1.1
296.06339	11.3
297.06516	0.8
302.05319	1.6
302.10229	0.4
303.05988	0.4
309.07193	0.3
310.07779	1.2
320.06323	6.8
320.11209	1.9
321.06406	0.5
321.10049	0.6
338.07623	2.2
338.12308	26.4
339.08475	0.7
339.12451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01857	0.9
57.03425	1.4
61.02905	1.5
67.48451	0.4
67.93756	0.4
69.03429	5.0
69.07048	0.4
69.70705	1.3
69.71117	1.1
71.01337	0.7
71.04980	0.4
79.93572	0.3
81.03416	3.5
84.14130	0.4
85.02900	14.7
89.03909	1.4
91.03935	0.4
91.05466	0.9
97.02879	4.7
99.04431	1.5
103.03922	0.8
103.05468	1.2
109.02868	2.5
117.03373	4.9
119.04929	0.5
123.04438	0.8
124.07543	0.4
126.34767	0.3
126.45023	0.3
127.03927	2.6
130.06516	100.0
131.06879	2.4
134.03636	0.5
135.04449	0.7
137.05984	1.4
142.06509	0.9
143.07317	1.0
144.08072	11.1
145.02840	11.3
145.04936	1.6
147.04391	0.7
149.05965	1.7
154.06448	0.4
156.08086	0.8
160.07579	0.7
163.03951	0.5
167.07246	0.4
168.07983	0.7
170.05994	1.8
172.07568	14.4
173.07854	0.6
175.03966	0.5
176.07056	44.4
177.05458	20.0
177.07140	1.0
184.07552	1.0
186.05444	2.3
188.06993	2.1
189.07033	0.6
190.07320	1.0
190.08829	0.5
195.06546	0.4
196.07521	0.6
198.05441	0.5
199.06316	0.5
200.07021	1.0
206.63867	0.4
208.08405	0.6
212.07030	1.1
214.08629	0.9
218.08151	7.8
235.07504	0.7
236.07872	1.2
238.08611	0.9
242.08131	0.5
246.06342	1.0
250.05983	0.8
253.18137	0.4
256.09659	1.1
260.09369	0.4
262.05685	0.4
264.07391	4.2
274.05881	1.6
274.10745	1.1
275.06577	0.5
291.06454	0.4
292.06845	3.1
292.11749	0.7
296.06293	1.6
302.05133	0.8
302.10260	1.6
303.06033	1.9
320.06332	16.1
320.10910	1.1
321.06427	0.7
321.09778	2.5
322.10693	3.8
322.13959	0.8
338.07422	0.8
339.10626	0.3
339.17563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.123
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03936	0.8
55.01857	0.9
57.03425	1.4
61.02905	1.5
67.48451	0.4
67.93756	0.4
69.03429	5.0
69.07048	0.4
69.70705	1.3
69.71117	1.1
71.01337	0.7
71.04980	0.4
79.93572	0.3
81.03416	3.5
84.14130	0.4
85.02900	14.7
89.03909	1.4
91.03935	0.4
91.05466	0.9
97.02879	4.7
99.04431	1.5
103.03922	0.8
103.05468	1.2
109.02868	2.5
117.03373	4.9
119.04929	0.5
123.04438	0.8
124.07543	0.4
126.34767	0.3
126.45023	0.3
127.03927	2.6
130.06516	100.0
131.06879	2.4
134.03636	0.5
135.04449	0.7
137.05984	1.4
142.06509	0.9
143.07317	1.0
144.08072	11.1
145.02840	11.3
145.04936	1.6
147.04391	0.7
149.05965	1.7
154.06448	0.4
156.08086	0.8
160.07579	0.7
163.03951	0.5
167.07246	0.4
168.07983	0.7
170.05994	1.8
172.07568	14.4
173.07854	0.6
175.03966	0.5
176.07056	44.4
177.05458	20.0
177.07140	1.0
184.07552	1.0
186.05444	2.3
188.06993	2.1
189.07033	0.6
190.07320	1.0
190.08829	0.5
195.06546	0.4
196.07521	0.6
198.05441	0.5
199.06316	0.5
200.07021	1.0
206.63867	0.4
208.08405	0.6
212.07030	1.1
214.08629	0.9
218.08151	7.8
235.07504	0.7
236.07872	1.2
238.08611	0.9
242.08131	0.5
246.06342	1.0
250.05983	0.8
253.18137	0.4
256.09659	1.1
260.09369	0.4
262.05685	0.4
264.07391	4.2
274.05881	1.6
274.10745	1.1
275.06577	0.5
291.06454	0.4
292.06845	3.1
292.11749	0.7
296.06293	1.6
302.05133	0.8
302.10260	1.6
303.06033	1.9
320.06332	16.1
320.10910	1.1
321.06427	0.7
321.09778	2.5
322.10693	3.8
322.13959	0.8
338.07422	0.8
339.10626	0.3
339.17563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59972	2.7
71.91473	2.8
76.68594	3.2
78.23272	3.0
92.40438	2.8
157.10443	2.8
179.84370	3.4
331.89743	3.4
337.08429	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	337.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	7.7
55.05494	2.5
57.03424	2.9
61.02906	8.3
65.03925	3.1
65.12756	2.3
65.46706	2.4
67.05479	4.6
68.99773	2.7
69.03415	7.5
70.85806	5.4
71.01376	2.2
71.04980	2.3
73.02912	3.3
79.05491	2.9
81.03384	5.7
81.07027	3.8
83.01351	3.5
83.04955	4.7
85.02899	6.2
87.04436	2.2
91.05466	4.1
95.04954	5.3
95.08563	2.4
97.02889	5.6
101.02367	6.2
102.04681	2.8
103.05467	15.6
105.07034	6.0
107.04948	9.9
111.04452	3.0
115.05445	10.2
117.03374	2.6
117.07044	3.0
118.04212	5.0
119.04975	4.2
121.02901	15.7
123.04387	4.3
124.07612	2.1
127.03928	2.2
129.03365	2.5
129.07025	2.9
130.04126	5.3
131.04930	55.1
133.06490	11.0
135.04414	6.4
137.05983	4.0
139.03960	4.7
141.06976	10.6
143.04880	4.1
144.05705	4.0
145.02847	3.5
145.06456	8.8
146.03600	8.9
146.06023	20.6
147.04405	11.1
148.05186	2.9
149.05928	5.5
151.03856	5.4
155.04875	5.1
157.02847	5.1
157.06540	11.8
158.06049	14.1
159.04402	9.4
159.08014	2.9
160.05179	4.4
161.05986	22.8
163.03908	12.6
163.07457	5.6
165.07027	4.5
167.06984	4.5
169.06480	16.8
171.04407	10.1
173.02647	2.1
173.05920	9.1
174.03053	2.5
175.03876	7.6
175.07622	6.6
176.04657	15.8
177.05493	12.0
178.06201	3.0
179.08472	3.8
181.04970	3.5
183.04428	3.9
183.08093	2.1
184.05202	4.1
185.05940	9.6
186.06737	5.1
187.03900	28.1
187.07590	7.6
188.04628	7.8
189.01869	9.9
189.05438	17.5
189.07011	6.7
190.06261	3.3
191.07019	53.3
191.08467	2.6
192.04166	2.8
193.06775	2.4
193.08617	8.2
197.05989	14.5
199.03914	4.5
200.04681	6.1
201.01807	2.6
201.05437	6.0
202.02531	3.8
202.06284	3.2
203.03415	7.7
203.07083	7.0
204.04169	21.6
205.04912	6.5
205.06691	3.5
205.08665	5.8
206.05768	3.4
207.06409	4.5
207.08179	4.3
211.07585	5.7
213.05464	9.3
214.06277	8.1
215.03374	3.0
215.07050	16.7
216.04227	2.9
217.04839	14.5
217.06728	5.0
217.08585	5.2
218.05675	8.8
219.06523	49.2
221.05971	13.0
221.08072	6.4
225.05440	4.3
227.07037	4.9
229.08533	11.2
230.05545	2.9
231.02895	6.5
231.06490	14.6
233.00905	2.9
233.08113	8.7
234.05037	2.9
235.07887	11.2
239.07062	5.1
242.05798	3.1
243.06468	10.8
245.03973	14.3
245.06218	6.8
245.08101	11.3
247.07501	4.8
247.09692	6.8
249.05539	29.3
249.07750	5.6
257.08084	10.9
257.45569	2.2
259.05978	4.7
260.06781	18.7
261.07574	2.9
262.04532	13.6
263.07239	38.0
264.07089	2.6
273.05273	27.7
273.07742	7.8
273.12259	2.5
274.06064	4.8
275.09219	35.5
277.04855	6.7
277.07227	41.0
287.05444	6.1
291.06360	37.4
292.07089	4.4
295.06003	100.0
296.06555	3.6
301.04578	14.6
302.05759	7.8
308.06799	3.6
309.07196	13.3
319.05826	72.7
319.12704	4.9
320.06329	5.0
337.06628	10.5
337.09201	23.9
337.13803	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
56.96562	34.8
57.03426	6.7
61.02919	14.0
64.00700	3.6
69.03424	15.5
70.06566	3.6
70.95869	9.2
70.98085	6.5
73.02905	7.7
81.03413	5.3
85.02906	25.6
87.04451	4.0
94.37966	3.8
97.02911	16.7
97.66473	3.3
98.97583	56.8
101.00867	6.0
109.02872	3.7
109.08409	3.9
110.97572	14.5
112.99111	19.0
113.02366	10.3
116.98607	24.6
117.94753	3.3
118.79624	3.3
119.01899	13.4
121.01640	4.6
127.03921	8.7
128.98610	10.7
131.00160	26.6
131.01912	8.8
133.03423	5.3
134.99638	8.6
138.78531	3.6
139.03799	4.3
145.03496	8.0
145.06519	4.4
146.06017	9.2
146.99641	12.2
147.03218	4.2
149.01204	10.3
155.01878	5.0
158.99670	12.7
159.05220	4.5
159.06767	6.6
160.07558	52.7
160.97646	3.4
161.01146	4.6
161.03011	6.6
163.02728	5.6
165.00768	3.7
172.07547	29.5
173.03021	8.2
174.09160	7.3
177.00690	11.4
183.05025	3.4
183.06726	5.1
184.07596	15.3
185.03024	4.9
187.08678	4.1
188.97076	10.6
189.00716	8.6
189.06204	3.9
191.02219	8.1
193.03795	6.4
200.07089	5.7
201.05930	3.8
202.08606	23.8
202.98590	5.5
212.07227	4.6
213.07938	6.2
217.00084	3.9
219.01703	21.8
219.07417	4.9
219.11263	6.2
221.05080	6.1
230.98090	11.4
237.02808	29.3
244.99655	5.4
263.00735	19.6
272.08963	5.8
277.02548	7.4
277.05814	14.3
281.01959	5.3
281.08942	5.0
290.10132	17.3
295.06949	47.9
305.05527	3.9
308.11261	32.0
318.08713	4.0
319.12790	7.4
320.11288	8.7
321.10312	4.2
326.35635	3.9
337.08823	100.0
337.13852	33.3
355.09061	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	337.0703
Annotation	Haemodorol
Peak:m/z	Relative Intensity
54.79795	0.5
55.01871	0.8
55.05486	0.6
61.02931	0.6
67.05505	0.7
68.99750	0.5
69.03406	1.4
69.07064	0.5
71.50684	0.5
79.05478	0.6
81.03396	1.4
81.07038	0.6
85.02901	2.4
85.06535	0.6
87.54291	0.5
89.03934	0.5
94.06544	0.4
95.04972	0.7
95.08595	0.7
97.02880	1.4
109.02837	0.6
112.05275	0.5
121.02858	2.4
121.06438	0.5
121.10109	0.6
127.03925	0.6
129.06969	0.6
130.06520	22.1
133.10112	0.5
135.11751	0.5
137.05954	0.6
144.08101	1.9
145.10091	0.5
147.04408	3.7
149.02327	1.5
163.03926	2.1
165.06987	1.1
171.04404	0.8
172.07530	2.1
175.03911	2.0
175.06239	3.2
176.07059	7.1
177.05472	0.6
178.07820	1.1
179.08519	4.0
189.06970	7.6
190.07674	1.1
191.08539	1.3
193.06461	0.7
206.07159	0.8
207.08066	5.3
217.06537	3.5
218.07809	1.1
219.08080	1.7
221.06009	4.6
227.08186	0.8
229.06458	1.7
234.06749	1.5
235.07521	13.7
236.07741	0.8
237.05452	1.0
245.05971	11.6
247.07542	2.8
249.05467	5.1
250.05815	0.7
257.06042	0.9
263.07031	30.6
264.07379	1.9
267.06503	0.7
273.05426	11.8
274.06171	2.9
274.10797	0.6
275.06900	1.2
277.04929	2.1
289.04904	0.9
290.05701	1.2
291.06488	24.5
292.06866	1.7
293.07990	0.6
295.05991	13.9
296.06351	0.9
301.04929	5.3
302.05664	10.3
303.06140	0.8
305.04315	0.9
308.06360	0.5
309.07703	2.6
318.05255	1.5
319.05991	100.0
320.06232	5.2
320.09311	0.7
337.06946	6.4
337.10791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0704
Annotation	Haemodorol
Peak:m/z	Relative Intensity
55.01861	0.8
56.21970	0.5
57.03443	0.6
69.03431	1.2
69.54057	1.7
69.54469	2.2
81.03416	0.6
81.07043	0.7
81.66990	0.5
85.02889	1.7
93.07061	0.7
105.06984	0.6
111.04416	0.6
118.06535	10.1
119.08584	0.8
121.02817	2.7
130.05595	1.1
130.06512	12.2
132.85304	0.6
146.06035	0.7
147.04430	1.3
158.06010	6.6
163.03880	1.8
165.06996	1.8
171.04379	1.2
174.05443	0.6
175.03899	1.3
176.07071	22.2
178.07726	0.7
179.08560	2.4
189.06999	4.3
190.07651	0.6
191.08537	0.9
192.00684	0.6
193.06589	1.3
201.01895	0.8
205.06535	1.4
206.07419	0.6
207.08066	5.1
211.07706	0.6
217.06429	3.5
218.07266	1.2
219.08017	1.7
221.05963	10.6
221.08034	0.9
229.06523	0.6
234.06741	1.3
235.07521	9.6
237.05507	0.9
239.07002	1.0
245.05978	11.2
246.06691	1.0
247.07549	3.0
249.05472	31.1
250.05914	1.6
257.05997	1.1
262.06168	1.3
263.07019	24.7
264.07388	1.6
267.06583	1.2
273.05438	25.2
274.05954	3.3
275.06979	1.5
277.04971	14.4
278.05453	1.0
290.05844	1.2
291.06500	23.9
291.09799	1.1
292.06909	1.6
295.05997	100.0
296.06293	5.1
301.04941	11.1
302.05576	3.8
305.04514	0.6
308.06912	2.7
309.07516	6.2
312.18478	0.6
319.05972	45.1
320.06326	3.2
337.06995	17.5
338.07849	1.2
338.12256	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	337.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03466	0.4
67.05521	0.7
69.03456	0.4
70.91561	0.6
70.91879	0.8
72.26225	0.5
79.05511	0.7
81.03446	0.7
81.07063	1.1
88.51881	0.4
91.05495	1.1
95.05004	0.5
95.08604	0.5
97.02917	0.8
97.60735	0.4
105.07113	0.8
107.08623	0.5
109.02905	1.1
119.08624	0.7
121.02869	2.5
123.08189	0.5
126.09219	1.1
127.03924	0.9
131.04884	0.6
133.02861	0.5
137.02353	0.7
138.05487	0.5
141.75671	0.4
145.02811	0.5
147.04416	1.8
150.05496	0.6
163.03931	1.8
165.07010	1.4
166.05064	1.2
171.04422	1.1
175.03906	0.8
178.03012	0.5
178.07823	1.2
179.08514	3.1
181.12302	0.5
187.19485	0.5
189.06966	6.2
190.07753	1.1
191.08591	1.3
193.05006	0.6
193.06592	1.2
194.04407	0.7
198.72052	0.5
199.03979	0.6
201.01854	2.0
207.08069	5.7
211.07474	0.6
217.06479	5.0
218.07228	1.9
219.08035	1.7
221.05991	12.3
222.06352	0.8
234.06703	1.7
235.07533	10.0
236.07980	0.8
237.05447	1.2
239.06956	1.1
245.05980	12.9
246.06583	1.8
247.07639	3.3
249.05492	31.4
250.05914	1.9
257.05936	0.7
262.06329	2.3
263.07037	30.4
264.07495	1.1
267.06512	2.3
269.04498	0.5
273.05469	27.9
274.06198	3.2
275.06757	0.7
277.01855	0.7
277.04938	12.9
277.07764	1.0
278.05377	1.2
290.05725	1.3
291.06522	25.9
292.06967	2.4
295.06012	100.0
296.06299	6.3
301.04968	11.9
301.11749	1.2
302.05722	5.0
305.04419	0.7
308.06683	3.4
309.07611	7.9
318.05417	0.6
319.06000	59.4
320.06332	3.7
337.07028	20.6
337.13843	1.3
338.07269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0705
Annotation	Dicumarol
Peak:m/z	Relative Intensity
53.03944	1.7
53.23959	0.6
55.01852	1.2
55.05500	2.9
56.68026	0.6
59.05015	0.7
63.02371	0.9
64.67387	0.8
65.03926	2.2
67.05508	4.1
69.03415	2.3
69.07060	2.6
69.33331	6.8
71.04979	1.3
77.03902	1.1
79.05505	5.4
81.03418	2.1
81.07056	7.5
83.04974	2.1
85.06517	2.0
89.03917	11.9
91.05478	22.7
93.07045	6.2
95.04980	4.2
95.08614	5.0
97.06483	1.4
97.10162	0.8
98.20699	0.8
99.92575	0.7
102.04665	2.1
103.05467	9.2
105.03382	1.9
105.07045	4.6
107.04968	5.1
107.08585	5.0
109.02898	1.9
109.06510	2.0
109.10164	5.2
111.04440	1.0
111.08107	0.9
115.05449	0.9
117.03384	8.7
117.07007	0.9
119.04942	18.5
119.08557	3.2
121.02874	3.1
121.06493	1.3
121.10147	4.1
122.03609	0.9
123.08063	1.2
123.11707	2.2
124.07359	0.6
125.09608	1.4
129.03345	0.7
130.04182	1.8
131.04916	2.9
133.02864	6.2
133.10124	3.0
134.03662	3.8
135.04424	14.1
135.08028	1.1
135.11668	1.0
137.05956	4.9
137.09583	2.3
143.08549	0.9
145.02849	10.7
145.10120	1.7
146.03644	1.0
147.04411	48.6
147.11700	2.1
148.05023	0.8
149.05983	2.4
149.09628	1.1
150.03192	1.0
151.03961	0.9
151.07552	5.2
151.11108	1.0
153.09032	0.9
157.10179	1.0
158.03693	2.7
159.04405	1.4
159.11665	1.2
161.02328	9.4
161.05991	2.2
161.09660	1.5
162.03101	2.9
163.03902	100.0
163.65692	0.7
164.04193	0.9
165.09108	0.8
173.02338	1.9
175.03902	53.1
175.07504	1.4
175.11154	1.7
176.04713	13.9
177.05475	25.9
178.07748	1.4
179.08549	1.7
189.06960	3.0
189.12755	0.9
190.07654	1.0
191.03383	31.7
191.10519	0.8
192.03685	1.1
199.07579	1.1
205.06438	1.0
206.07343	0.9
207.08141	3.3
213.09102	1.1
213.16278	0.9
219.08086	1.7
221.05913	2.5
234.06967	0.7
235.07677	4.1
236.07964	0.7
245.06061	3.2
247.07524	2.9
247.09946	0.7
249.05423	4.4
251.07077	1.6
257.06277	1.2
259.10837	1.5
263.07022	8.2
267.06628	0.9
273.05447	5.2
274.06216	2.4
275.07361	1.0
277.04971	2.7
291.06589	9.1
295.06052	3.9
301.05066	4.4
301.11987	0.8
301.21439	1.7
302.05560	1.0
309.07596	2.5
319.06015	19.8
319.09760	1.1
319.22598	2.3
320.06458	1.3
337.07040	40.0
337.10471	2.1
337.23718	2.8
338.07242	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	3.1
55.01876	2.1
55.05508	24.4
55.21634	1.2
57.03170	1.4
57.03437	27.0
57.07061	3.7
64.05990	1.2
65.03922	2.9
67.05505	86.6
69.06750	1.8
69.07069	20.7
69.32206	9.8
69.32613	2.4
71.05006	1.6
71.08614	1.8
74.94709	1.4
79.05492	46.3
79.29570	1.3
81.07056	84.4
82.07371	2.3
83.08620	7.5
85.06507	3.1
91.05479	27.1
91.30465	1.2
93.07043	49.0
95.04941	4.9
95.08607	79.3
97.06515	3.5
97.10156	3.5
99.08086	1.8
99.21869	1.3
105.07027	15.6
107.08588	28.8
108.08892	1.2
109.06514	1.4
109.10155	34.5
111.08072	2.1
111.11691	1.4
117.07012	6.3
119.08585	13.9
121.10146	24.2
123.11701	11.2
129.07021	2.9
131.08594	9.1
133.10152	13.1
135.11702	15.8
137.13223	2.6
145.10144	8.5
145.21924	1.4
147.11676	7.5
149.09555	1.6
149.13258	7.7
159.11674	6.5
161.13332	6.3
163.14813	4.8
169.10133	1.3
171.11595	2.5
173.13263	5.7
175.14755	3.1
177.16405	1.7
187.14792	6.5
199.14752	1.6
201.16426	1.7
221.24014	1.4
225.16351	1.7
239.17941	1.9
243.21021	4.2
255.63565	1.3
261.22141	8.4
317.24631	2.6
335.25772	100.0
336.26147	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	337.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	75.1
56.96851	4.0
59.69168	1.9
61.02939	2.3
70.98118	31.0
71.50650	3.7
71.95259	2.8
72.89977	1.9
72.96046	3.6
74.97597	4.6
84.96031	9.7
85.02909	5.2
88.99155	19.1
92.39858	2.4
97.02899	4.3
98.97579	100.0
110.97565	34.3
112.99126	6.6
113.02367	4.6
115.00738	2.9
116.98610	46.8
119.01879	3.4
124.95485	8.3
128.98604	44.5
131.00177	6.9
133.01707	9.2
134.99629	13.4
140.98573	7.0
142.96532	8.5
143.00168	5.6
144.98067	5.1
146.05991	3.5
146.99652	34.7
149.01225	4.3
151.02769	3.1
156.98062	2.6
157.01675	2.7
157.02948	2.2
158.99612	14.6
160.07524	13.5
160.97565	4.8
161.01207	6.7
165.00714	21.6
170.96008	11.0
170.99640	6.6
172.07597	9.6
173.01266	2.8
174.09250	3.4
174.99170	9.6
175.02760	4.4
177.00717	14.8
184.07596	2.5
184.97603	6.7
187.06387	2.3
188.97090	32.8
189.00677	25.1
190.98643	3.8
191.02150	2.5
193.00233	8.5
193.03914	2.7
198.99258	2.8
200.40976	2.1
201.00732	3.7
202.08681	7.2
202.98578	12.7
205.00182	8.4
205.07486	3.0
206.98192	18.6
207.01770	20.5
212.97026	3.2
217.00238	7.3
217.03856	2.5
219.01741	19.2
220.99724	11.2
223.01260	9.7
224.99281	2.7
230.98105	32.0
232.99637	2.9
235.01274	10.8
235.04803	2.5
237.02791	33.5
239.00826	2.5
244.99672	23.5
248.99136	15.2
249.02881	4.8
263.00735	71.3
265.02155	2.6
267.03906	5.0
272.09265	2.8
277.02356	25.5
277.05939	19.9
277.09189	4.7
281.01727	11.6
290.10077	4.2
295.03549	5.8
295.07013	83.3
295.10617	9.0
305.01822	6.2
308.11203	8.4
318.08612	3.0
319.12811	5.4
337.04401	4.3
337.08069	21.4
337.14044	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	4.8
55.01858	1.1
55.05243	1.2
55.05513	24.2
57.03168	1.4
57.03434	26.1
57.07053	3.2
58.05128	0.8
63.87632	1.0
64.81528	0.9
65.03938	4.9
65.97417	0.9
67.05504	100.0
69.06689	1.4
69.07066	21.8
70.76673	3.7
71.04990	2.4
71.08623	1.2
76.51107	1.0
77.03974	0.9
79.05494	47.8
81.03396	1.2
81.07055	83.5
83.04968	2.6
83.08621	9.0
85.06541	2.2
91.05479	24.1
93.07043	47.2
95.04998	5.5
95.08605	68.1
97.06520	3.1
97.10155	3.3
99.08078	1.1
102.60628	0.9
105.04514	1.1
105.07023	13.1
107.08582	25.9
109.06509	1.6
109.09481	1.7
109.10159	23.4
111.08050	2.5
117.06985	4.0
119.08576	11.5
121.09337	1.5
121.10150	17.8
123.08061	1.9
123.11691	8.5
131.08560	9.5
133.10158	7.8
135.08014	1.1
135.11684	12.4
137.09599	1.3
137.13237	1.3
145.10147	6.0
147.11656	5.3
149.13231	7.1
159.11682	4.3
161.13248	3.4
163.14769	3.1
173.13286	3.5
173.25525	0.9
175.14789	1.8
187.14778	1.1
243.21092	1.8
261.22104	4.5
317.24747	1.1
335.25784	87.8
336.26004	3.5
351.22958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01846	1.3
55.05511	25.6
57.03162	1.8
57.03434	24.9
57.07072	2.7
65.03931	2.6
67.05502	95.7
69.03417	1.5
69.07064	24.9
69.22050	2.9
69.22460	9.0
71.04977	2.5
71.08608	1.6
79.05491	50.1
80.05801	1.5
81.07054	83.9
83.04966	2.7
83.08616	8.7
85.06521	1.8
91.05483	24.4
93.07041	52.6
95.04958	4.1
95.08604	69.5
97.06538	2.9
97.10154	3.9
101.68369	1.2
105.07024	18.5
107.08593	24.1
109.06515	1.4
109.09398	1.4
109.10155	28.9
111.08082	2.2
113.09606	1.5
115.05412	1.3
117.07009	5.9
119.08572	15.0
121.10133	21.5
123.08068	1.3
123.11671	8.0
124.09170	1.1
131.08537	11.2
133.10126	9.9
135.11687	14.7
137.13203	2.3
144.14357	1.2
145.10135	6.7
147.11674	6.8
149.09579	1.5
149.13304	6.4
151.14790	1.5
151.27432	1.1
157.10106	1.4
159.11665	6.3
161.13231	4.7
163.14841	1.7
165.12755	1.6
173.13243	5.8
175.14851	2.6
180.93892	1.1
187.14813	2.7
197.13344	1.4
238.18535	1.2
243.20984	3.5
261.22147	7.1
275.35019	1.1
317.24921	1.5
335.25806	100.0
336.26169	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
54.61576	3.3
55.05509	27.6
57.03432	22.5
57.32952	3.8
67.05502	100.0
69.07066	25.3
69.81530	16.4
71.17721	3.1
73.13117	4.7
75.32687	3.4
79.05491	45.6
81.06590	6.9
81.07049	90.5
83.08621	10.4
88.13771	3.3
91.05470	25.8
93.07043	53.6
95.04938	4.6
95.08601	63.2
97.06528	6.6
98.20858	6.5
100.39716	3.2
105.07022	12.0
107.08570	22.6
109.10162	29.8
119.08592	10.8
121.10138	20.9
123.08121	4.4
123.11715	8.9
131.08546	7.5
133.10120	6.9
135.11668	9.5
145.10110	6.1
147.11630	5.1
149.13258	6.2
159.11678	5.0
163.14758	3.8
169.17085	3.2
182.07101	3.6
261.22260	4.4
335.22076	7.0
335.25815	71.0
336.02029	3.9
336.26321	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01864	3.6
55.05496	1.5
56.54939	1.0
57.03419	1.1
57.07037	0.7
59.04992	4.2
65.03922	1.0
67.05511	4.1
68.99777	1.5
69.03442	1.6
69.06736	1.2
69.07069	14.5
69.37777	2.9
69.38202	4.2
72.08121	0.9
73.02908	3.6
79.05471	3.2
81.03400	2.0
81.07041	2.6
83.04986	1.4
85.02875	1.1
91.05483	1.1
92.05038	0.9
92.82778	0.7
93.07039	1.3
94.06527	1.5
95.04957	2.7
95.08604	4.0
96.08112	1.8
97.02892	5.4
97.06512	4.8
99.00816	3.4
101.02358	2.8
105.07060	1.3
106.06532	3.0
107.04910	0.8
107.08619	1.1
108.04465	2.5
109.02865	4.0
109.10143	5.4
109.57371	0.8
113.82871	1.0
113.83667	0.8
115.05411	1.0
119.03403	3.7
119.08564	2.7
119.92537	0.8
120.04475	2.4
120.18861	0.8
121.10137	2.3
122.06033	1.9
123.07256	1.1
123.08060	5.1
124.07571	5.7
125.05950	1.4
127.03949	1.0
136.07573	1.3
137.05980	1.1
137.09624	4.5
138.05493	11.6
139.03894	1.0
140.07050	1.8
141.09099	1.0
144.08101	0.9
145.08713	0.8
146.09613	1.3
147.05518	1.2
149.07133	1.3
149.26987	0.9
150.05510	9.2
152.03423	3.2
155.10596	2.2
157.06464	0.9
161.08307	1.9
163.11180	1.1
164.03336	1.1
164.07022	1.3
165.09073	2.9
166.05005	6.4
168.06641	1.2
169.07640	0.9
170.08394	1.8
170.09692	1.4
172.11218	1.5
175.04922	1.1
176.03427	1.2
176.48579	0.8
177.06755	1.2
178.04988	2.3
182.08252	7.9
183.10315	1.5
184.09937	1.5
185.07117	1.1
190.12230	1.8
191.08211	1.7
192.02907	0.9
196.09993	3.0
197.07120	1.8
197.10744	5.9
198.07773	8.3
198.09396	1.3
199.12267	1.3
200.10818	2.0
205.06427	2.6
208.10048	0.9
209.10776	1.5
210.07813	5.4
211.08635	2.9
211.12288	3.5
212.09410	9.1
213.10225	6.4
215.08286	1.0
216.10193	1.5
217.03401	1.3
218.11739	3.2
221.07672	1.0
223.07664	0.8
225.06735	1.0
225.10204	11.6
226.06978	1.1
226.08672	2.8
226.10768	1.7
227.08281	2.0
227.11775	17.7
228.10219	1.5
233.05894	2.7
234.11198	1.8
237.05402	8.8
237.10280	1.3
240.08871	2.7
241.09599	3.6
242.10617	1.1
243.07597	1.2
243.11263	2.6
244.11905	1.0
245.12915	4.2
246.11276	3.0
251.06845	1.1
253.09712	11.9
255.11230	10.5
256.08478	1.1
257.09128	3.3
259.10748	1.4
261.05435	2.1
261.12402	5.0
263.06961	1.4
265.04904	11.5
268.08405	5.0
269.09109	2.6
271.10754	30.7
272.11472	1.3
273.12332	15.8
279.06546	2.9
281.09167	3.8
287.10236	37.6
288.10953	1.9
289.05087	3.1
289.11795	7.9
293.04474	8.3
299.10248	49.0
305.11227	2.6
307.05936	6.8
317.11295	100.0
318.11548	1.7
335.05713	3.8
335.12350	22.6
335.16208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
65.03942	1.8
67.05508	2.0
68.99792	1.2
69.03429	1.2
69.07066	13.9
71.01379	1.1
71.04979	1.0
71.37545	1.4
73.02916	2.8
79.05484	3.5
80.76893	0.8
81.07053	2.4
82.06586	1.0
85.02895	2.0
85.06538	0.8
90.78988	0.8
91.05514	1.7
92.05023	1.1
95.04989	1.0
95.08601	1.0
96.08117	3.1
97.02898	3.9
97.06522	3.1
99.00804	2.5
101.02372	2.1
106.06557	3.0
108.04480	2.4
109.02887	0.9
109.06487	1.0
109.10126	1.0
119.03416	2.6
124.07572	7.4
125.05988	1.1
127.03927	1.0
131.08575	0.9
134.74391	0.8
137.05972	1.1
138.05501	10.5
140.07097	1.9
142.08655	2.8
144.08060	1.2
145.08810	1.1
146.06042	1.0
147.05490	1.1
149.07034	1.5
150.05508	10.6
152.03456	2.1
152.07062	1.0
152.41176	0.9
152.82602	0.8
153.07011	0.8
157.08879	1.4
161.08380	1.8
162.05513	4.0
162.09184	0.9
163.05827	4.5
164.07117	1.3
166.04987	6.1
168.06647	1.9
169.07578	1.4
170.08377	1.0
170.09662	1.5
174.12794	1.6
175.05052	1.4
178.05034	1.9
181.07724	1.1
182.08247	9.2
182.09673	1.3
183.09206	1.3
184.06282	1.2
184.59186	0.8
185.07132	1.2
190.12346	1.8
191.05452	1.1
191.08208	1.2
193.06161	1.2
195.09189	1.7
195.26517	1.0
196.09926	4.0
197.07022	1.4
197.10785	6.4
198.07623	4.8
198.09416	1.9
199.08546	1.3
199.12373	1.4
200.10728	3.2
201.06531	1.2
201.10222	1.1
205.06479	2.0
209.10809	2.1
210.07834	6.2
210.11436	1.1
211.08685	2.6
211.12326	3.0
212.09364	9.4
213.10211	7.2
215.08212	1.2
215.11765	1.9
216.10210	1.9
218.11797	2.6
225.10226	12.6
226.07060	1.9
226.08748	3.3
226.10776	1.5
227.11777	19.5
228.10226	2.4
229.09818	2.0
233.05908	1.2
234.11275	1.1
237.10245	1.6
240.08990	1.1
241.06117	1.4
241.09625	4.2
242.10489	2.4
243.11301	4.1
244.09923	1.2
245.12886	3.9
246.11287	4.0
253.09682	12.4
254.10344	1.0
255.11279	12.7
256.08517	1.0
257.09326	2.9
259.07040	1.2
261.05548	1.2
261.12354	4.1
265.04831	1.1
268.08405	5.4
269.09207	2.1
271.10776	33.3
272.08905	1.5
272.11609	2.1
273.09286	0.8
273.12317	21.4
279.06647	2.0
281.09201	4.2
287.10242	39.5
288.10977	2.2
289.05042	2.8
289.11798	9.9
293.04373	1.5
299.10254	52.2
305.11337	3.3
307.06024	2.8
317.11316	100.0
318.11978	1.7
335.05521	3.8
335.12390	20.0
335.16049	2.1
340.20786	1.1
353.91827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
55.05522	0.8
60.52825	0.7
60.79253	0.7
65.03944	3.2
65.39857	0.7
67.05505	7.5
69.03436	1.5
69.07068	100.0
69.96797	3.9
70.07423	1.0
71.05017	0.9
79.05501	2.6
81.07048	7.0
83.04984	1.4
88.77265	0.7
91.04272	1.0
91.05489	2.5
92.05000	4.0
93.07061	3.2
94.06559	3.5
95.04977	3.0
95.08580	1.7
97.06524	14.7
105.07047	2.0
107.08607	3.4
108.04492	1.1
109.02880	2.2
109.06546	1.9
109.10171	2.0
110.06071	0.9
110.17226	0.7
117.07024	1.4
119.03675	1.2
119.08574	1.4
121.05251	1.0
121.06500	0.9
121.10164	1.1
122.06036	9.5
124.07608	2.5
125.05991	1.4
131.04916	1.2
133.10179	1.5
137.05984	3.2
137.09616	1.2
138.05507	5.6
140.07063	7.3
142.08681	0.9
143.08553	1.2
144.08096	2.1
145.08882	3.0
145.10133	2.4
146.05965	0.9
146.09654	4.3
147.06746	1.1
148.03938	1.9
150.05499	73.8
152.03452	1.7
152.07050	0.9
155.08560	0.9
157.08917	2.2
158.09627	1.0
159.10425	1.4
160.07666	1.1
160.11192	1.1
161.08392	3.0
161.09621	1.0
162.09164	1.6
163.11243	0.8
164.03413	1.4
166.05003	28.7
168.03737	0.9
168.06689	1.1
169.03880	0.8
172.07600	1.2
172.11201	5.2
173.08403	3.0
174.09123	0.9
174.12755	6.6
176.03439	6.8
178.05029	2.4
182.09657	0.9
185.08363	1.8
186.07674	1.8
190.12296	4.6
192.02867	1.0
194.04546	3.0
198.07855	1.1
200.07118	1.0
200.10742	6.8
202.12262	6.9
206.11864	1.0
213.10275	1.7
216.10205	3.5
218.08386	1.4
218.11757	28.4
228.10204	15.6
229.13463	1.2
234.11371	3.0
243.11392	1.5
244.09821	1.3
245.12988	1.6
246.04309	0.8
246.11270	24.9
247.05998	0.7
255.11429	1.4
257.09186	1.2
261.12476	1.2
271.07120	0.7
271.07880	0.9
271.10760	5.8
272.09259	3.1
273.12524	3.1
274.10629	2.2
287.10297	8.1
289.11826	11.9
290.10257	1.9
299.10284	6.4
307.05991	1.1
317.11298	24.9
335.06372	9.3
335.12378	20.3
335.22061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.9
53.03935	1.0
53.06057	0.6
53.38750	0.6
55.01871	4.3
55.05504	1.2
57.03420	1.2
59.04998	6.1
61.02916	1.0
65.03929	1.6
67.05506	5.4
68.99788	1.0
69.03417	3.1
69.07065	15.6
70.86265	0.8
71.01339	2.0
71.04995	1.0
71.51774	0.8
73.02913	5.4
76.68252	0.6
79.05511	3.4
80.05018	0.8
81.03407	2.6
81.07040	3.1
82.06601	0.7
83.01324	1.7
83.04963	0.9
85.02892	1.5
91.05467	2.5
92.04992	1.2
93.07030	2.3
94.06551	1.2
95.04950	3.3
95.08591	8.2
96.08106	1.7
97.02892	4.1
97.06534	5.4
99.00813	5.5
99.04462	0.9
101.02402	3.3
104.04990	1.1
105.07001	1.9
106.06545	4.3
107.04908	1.4
107.08556	1.1
108.04427	1.6
108.08093	0.7
109.02872	7.1
109.10168	7.8
111.04446	0.9
115.07582	1.0
119.03413	4.6
119.08573	4.1
120.04453	2.6
121.06441	0.9
121.10162	3.3
122.06026	2.4
123.04440	0.9
123.08064	7.5
124.07589	7.2
125.05986	1.5
127.03893	1.5
131.04951	1.5
131.05994	1.4
136.07610	0.9
137.05972	1.3
137.09621	4.3
138.05498	10.6
140.07045	2.0
141.09076	1.5
143.06987	0.7
143.08575	0.8
144.08060	1.1
145.08818	1.1
146.09602	1.4
147.05481	1.6
147.08032	1.2
149.07127	2.2
150.05495	11.8
151.03897	0.9
152.03377	2.3
152.07074	0.9
154.08592	0.7
155.10631	2.4
157.08858	1.0
161.08374	2.4
162.09126	1.5
163.03983	0.9
164.07008	1.6
165.05499	1.1
165.09068	4.7
166.04987	6.1
168.06650	1.7
169.07660	1.3
170.08356	2.0
170.09676	1.7
172.11191	0.9
174.12831	1.2
175.04967	0.7
176.03413	1.4
177.06784	1.6
178.04961	2.2
180.08072	1.3
181.07591	1.1
181.92102	0.7
182.08264	9.5
183.10191	2.5
184.06253	0.7
184.09949	1.5
185.07059	1.2
185.10738	1.5
186.09114	1.1
187.03783	0.9
189.04012	0.8
190.12271	1.5
192.02933	1.1
193.06213	1.2
195.09261	1.0
196.10001	3.9
197.07132	1.7
197.10724	6.0
198.07721	7.0
198.09215	2.1
199.08585	1.4
199.12309	1.6
200.10722	2.8
201.06686	1.6
202.08707	0.7
202.12325	1.3
205.06479	3.3
209.10764	1.3
210.07881	5.8
210.11424	1.5
211.08635	2.4
211.12256	1.5
211.17386	0.7
212.09404	8.8
213.06740	1.4
213.10248	6.3
214.11050	0.8
215.08173	1.2
215.11746	1.8
216.10216	2.1
217.03404	2.1
218.11816	2.8
223.07368	0.8
224.09392	0.7
225.10194	12.9
226.07018	1.5
226.08661	3.6
226.10915	1.2
227.08255	1.3
227.11784	18.8
228.10175	2.7
228.12238	1.5
229.09816	1.1
233.06117	3.5
234.11237	2.0
237.05441	14.2
237.10109	1.8
238.05569	0.7
240.08893	2.3
241.06129	0.8
241.09792	4.2
242.10481	2.1
243.11368	4.3
245.12776	4.6
246.11264	2.4
251.06973	0.8
253.09738	13.9
254.08098	0.7
255.11278	12.7
256.08344	1.6
257.09283	3.9
258.09973	0.9
259.10751	2.6
261.05487	2.4
261.12314	4.2
263.06970	0.8
265.04922	18.1
268.08423	6.8
269.09253	1.9
271.10748	34.5
272.08939	1.4
272.11441	2.4
273.12308	19.1
279.06601	4.0
281.09064	4.2
287.10245	47.3
288.10840	2.3
289.05090	4.5
289.11765	9.4
290.05603	1.2
293.04449	13.3
294.04666	1.6
299.10257	49.1
300.10675	1.6
305.11273	3.3
307.05920	9.0
317.11292	100.0
318.05359	1.1
318.11737	3.9
335.05548	5.0
335.12347	22.5
336.12698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05496	1.7
56.96564	7.7
57.03415	1.8
58.99851	0.9
61.02914	1.8
67.76177	0.7
69.03439	6.4
69.07030	1.0
69.12003	0.7
69.76266	4.3
70.03706	0.8
70.06569	1.4
70.98091	1.3
71.04964	1.3
73.02887	2.6
73.06546	1.1
77.00878	1.3
81.03391	1.9
82.99837	2.1
83.04948	2.7
84.00620	0.7
84.55068	0.8
84.96017	1.2
85.02910	6.5
87.04430	2.3
91.05433	1.8
93.07035	1.0
94.99817	1.4
95.04979	0.8
95.06848	0.8
96.65879	0.8
97.02885	6.4
98.21484	1.5
98.97594	10.7
99.04410	1.2
101.00887	15.0
103.05419	1.0
108.08123	4.5
109.02847	1.8
109.08460	4.2
113.00846	4.0
115.02393	4.0
116.98618	6.8
119.01920	41.6
119.04932	1.2
120.07409	1.0
120.08108	11.4
124.07544	1.1
125.02268	0.8
125.07960	0.7
126.06640	1.5
127.02364	1.0
127.03879	2.8
128.98547	2.5
129.03926	1.9
130.06480	1.6
131.01909	21.4
131.05554	6.3
132.04443	1.0
133.03477	7.6
134.00267	0.8
134.05913	1.2
134.99635	2.1
137.02991	5.1
137.05910	2.8
142.07228	0.9
143.01897	63.3
144.01974	1.5
145.03458	10.4
145.04622	1.0
145.05009	0.8
146.05969	2.0
146.99603	2.4
147.01366	1.4
147.04216	2.0
147.05080	2.0
149.03012	4.9
149.06604	11.3
151.04561	1.0
152.07022	1.7
153.01756	4.2
153.07352	2.5
155.00670	1.3
155.01891	24.5
155.04478	1.1
155.05562	2.6
155.07811	1.1
156.02600	3.0
157.03465	4.8
157.07108	0.9
158.99591	3.0
159.04980	2.4
160.07550	1.4
161.02959	100.0
162.03027	2.8
163.02634	1.2
163.04559	1.8
165.00674	1.6
167.05510	2.4
169.07080	0.9
171.04990	2.3
173.02980	29.2
173.05109	1.5
173.06589	30.6
174.03227	1.1
174.05418	1.2
175.04439	3.1
177.00636	2.4
177.06091	4.8
179.04033	1.4
184.04565	8.1
185.02943	3.0
185.06602	29.2
187.04482	1.6
187.08183	4.6
189.00632	1.4
190.98537	2.3
191.05928	1.3
191.07616	10.2
195.01727	1.0
196.04596	1.7
197.02820	1.3
197.06522	2.2
199.08101	2.0
201.05971	1.6
203.02296	1.0
203.04025	9.1
203.05891	1.7
203.07639	16.4
205.00185	1.0
205.09178	1.2
208.08104	1.0
209.06613	1.4
209.87540	1.0
215.03967	1.0
215.05783	1.0
215.07640	13.1
217.09180	1.4
219.01656	2.6
221.05063	24.7
223.01166	1.4
223.04718	1.1
226.09052	1.2
227.07587	2.4
227.56805	1.9
232.99536	1.7
233.08748	4.0
234.98999	0.9
237.02730	3.6
244.57941	3.9
245.04874	2.1
257.08783	5.5
263.06021	1.0
275.09787	37.0
276.09799	1.1
277.03415	0.9
293.10815	87.1
294.10916	2.8
298.11166	1.5
309.08432	2.0
312.04251	1.2
316.12411	5.2
317.10956	1.2
325.60522	2.1
335.11734	45.0
336.05692	1.3
336.11816	1.2
343.05005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62093	0.9
53.82201	1.1
55.01852	1.3
55.05484	1.6
56.96313	0.8
56.96563	9.7
57.03417	2.3
61.02915	2.0
67.05475	1.2
69.03427	6.9
70.06570	2.0
70.98103	1.5
70.99839	1.1
71.01346	1.3
71.04978	1.0
71.47293	1.3
73.02892	1.9
77.00861	2.4
79.05461	1.0
81.03385	3.1
82.99845	2.6
83.04962	0.9
84.95964	1.1
85.02917	9.2
87.04444	1.7
88.99163	1.1
89.00854	0.9
91.05451	1.8
94.99850	1.1
97.02879	7.0
98.03198	1.0
98.97566	9.4
99.04419	1.0
101.00868	12.4
103.03862	1.3
103.05410	1.1
105.00332	1.1
108.08147	5.3
108.41710	0.8
109.02843	1.8
109.08462	7.5
110.97533	2.0
112.99093	1.3
113.00809	3.1
115.02374	3.7
116.98586	6.8
119.01913	39.6
120.02021	1.3
120.07359	1.0
120.08097	10.2
124.02489	1.0
126.06552	1.7
127.02352	1.2
127.03872	2.3
128.98547	2.5
129.03957	1.7
130.06485	1.4
131.00182	0.9
131.01900	24.1
131.05539	5.1
133.01630	1.4
133.03471	6.2
134.05974	1.3
134.99570	4.1
136.05031	1.0
136.07494	1.2
137.02963	6.5
137.05986	4.4
137.06824	1.0
137.07924	1.3
142.03439	1.3
143.01891	60.4
144.02011	2.3
145.01697	1.3
145.03389	8.4
145.04852	1.6
146.05951	1.8
146.99603	3.0
147.01239	1.0
147.03113	1.3
147.05043	1.8
149.02875	3.3
149.06619	10.2
152.07108	2.3
153.01820	6.1
153.07417	4.6
154.03403	1.5
154.07498	1.7
155.01884	21.4
155.05502	2.8
155.07790	1.3
155.54752	1.1
156.02614	1.9
157.03438	4.7
158.99576	1.7
159.04967	3.9
160.07585	1.3
161.02954	100.0
162.03044	4.1
163.02629	1.6
163.04463	1.2
165.00647	2.9
167.05508	1.6
169.03365	1.0
169.07117	1.1
171.04955	3.3
173.01390	1.8
173.02950	24.8
173.06606	25.9
174.05357	1.8
175.02782	1.4
175.04427	2.8
177.00620	4.2
177.06085	4.5
184.04532	7.5
185.02881	4.2
185.06589	29.6
186.06874	1.1
187.06445	1.2
187.08119	4.7
189.00638	1.2
190.98608	5.9
191.02080	1.5
191.07649	10.4
196.08098	1.3
197.06477	2.7
199.08032	2.3
201.06067	2.1
203.02301	1.2
203.04001	9.5
203.05688	2.0
203.07642	16.1
205.00146	1.6
205.03647	1.4
205.09081	1.4
208.99591	2.3
209.06650	1.6
215.03990	2.2
215.07646	16.1
217.09134	2.2
219.01680	2.6
221.05060	23.4
223.01198	1.6
223.04689	2.5
226.09021	1.3
227.07469	3.0
232.99467	3.7
233.08604	3.8
237.02760	4.4
239.05942	1.2
244.51279	0.9
244.57814	3.5
245.04915	2.7
249.02968	1.0
251.00542	2.3
257.08713	4.7
273.08057	1.2
275.09793	34.2
276.09732	1.3
282.02945	1.1
289.09348	2.4
293.10803	83.3
294.02982	1.2
294.10812	3.6
303.01288	1.2
307.10403	1.1
312.04205	1.9
316.12338	5.1
317.10547	1.2
317.12952	3.6
335.11697	41.0
336.11935	1.9
357.16760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.1
54.62517	6.0
54.62789	6.1
56.96569	48.6
57.03426	6.5
61.02930	8.8
63.88585	6.4
69.03421	25.3
70.98117	15.2
71.05000	8.0
71.49196	7.3
71.49550	11.4
73.02919	12.8
81.03430	13.8
84.96027	14.1
85.02915	50.2
87.04492	9.3
97.02910	32.5
98.97580	97.3
101.00870	23.0
103.02392	11.6
107.06900	8.4
108.08120	72.5
109.02856	10.3
109.07771	11.1
109.08453	85.1
110.63020	7.0
110.97562	19.9
112.99128	17.4
113.00880	15.7
115.02430	18.8
116.98618	39.7
117.02200	7.3
117.03978	8.1
119.01894	59.1
125.07945	10.2
127.02397	7.5
127.03925	14.2
128.98621	30.3
129.04054	7.1
131.00197	13.1
131.01906	45.8
133.03456	34.1
134.06015	9.0
134.99635	12.3
135.06277	9.3
136.07530	9.3
137.02858	7.0
141.03960	9.1
143.01892	25.4
145.01741	11.4
145.03470	32.1
146.99648	28.7
147.05025	20.7
149.01108	9.6
152.07079	27.2
153.01826	10.0
153.07404	38.9
154.07634	9.6
155.01884	42.3
155.07841	13.1
157.03491	20.1
158.99670	18.4
159.05022	33.7
161.01202	10.8
161.02977	28.1
163.02625	8.8
163.04486	13.0
165.00728	13.6
167.07054	7.7
169.03551	8.0
171.05020	34.6
173.03044	34.0
173.04422	7.7
173.06648	27.0
175.02698	14.7
175.04433	11.9
177.00729	24.9
184.54631	6.8
185.02943	16.9
185.06487	38.2
189.00674	16.8
189.06085	18.9
191.07626	15.7
201.06116	8.5
203.03964	20.4
203.07664	18.9
205.03719	9.6
207.01855	10.9
219.01675	44.5
219.07150	11.5
221.05054	51.8
223.05315	16.2
233.08728	8.1
237.02803	72.5
245.05035	8.9
247.06616	9.5
255.03828	8.0
259.06635	19.5
261.08151	38.7
263.07846	12.6
275.04413	16.5
275.09598	42.8
277.07828	9.5
279.09192	71.2
293.05539	26.5
293.10803	52.4
303.01187	14.8
303.05392	19.9
315.12723	11.5
317.13071	53.5
335.07513	100.0
335.14545	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	335.0736
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.75780	5.1
57.99848	5.5
59.65794	5.7
70.22186	13.8
70.22596	18.6
84.38565	6.4
96.48202	6.9
119.01871	9.9
143.01921	11.7
161.02916	11.5
173.02910	6.6
174.83850	6.0
203.86101	7.4
293.10873	9.3
335.07159	100.0
335.12863	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01857	2.3
57.03430	2.2
61.02922	3.0
69.03439	6.3
70.91208	2.3
71.04988	1.9
73.02896	1.7
75.63081	0.8
80.36191	0.9
81.03410	4.4
85.02902	28.4
87.04454	1.5
91.03928	1.1
91.05482	13.0
94.64711	0.9
97.02886	9.4
99.04469	1.2
109.02869	1.8
109.06507	1.1
119.04926	9.2
127.03954	4.6
137.05975	100.0
145.04958	7.0
151.07542	1.3
155.07059	8.8
161.05980	1.0
161.71646	0.9
162.05515	4.9
163.03905	1.2
172.09589	1.1
179.07033	1.6
180.08650	3.0
184.67995	1.2
190.04918	1.4
203.07042	1.1
204.47598	0.9
263.09222	2.0
281.10254	1.1
307.06122	0.8
334.10638	1.9
335.05679	1.0
346.76547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01866	2.4
55.05504	4.5
57.03424	3.2
61.02922	2.5
62.52275	1.1
63.46552	1.2
67.05516	1.5
69.03426	7.2
70.06583	2.1
70.79836	2.7
71.04987	2.2
73.02923	2.2
79.05494	3.1
81.03422	3.9
81.07053	20.5
83.08617	4.4
84.04532	1.3
85.02909	16.5
85.06532	3.7
91.05499	1.9
93.68591	1.0
94.70203	0.9
97.02875	5.6
97.06529	1.2
98.06055	1.8
98.09708	2.2
98.97579	1.5
98.98520	1.2
99.04439	1.3
99.08107	2.0
108.08113	4.7
109.02873	1.7
109.06517	19.0
111.08070	1.8
116.98632	1.0
117.07072	0.9
123.04439	2.0
124.07602	1.9
126.09155	48.5
127.03915	4.2
127.07549	21.4
136.07542	1.2
137.05988	2.4
138.09160	1.3
145.05005	1.3
154.08629	61.9
155.07030	37.6
155.08879	1.4
162.05470	10.1
172.09685	100.0
173.08014	1.1
173.10049	1.4
190.05035	4.1
199.08760	1.2
205.06697	1.2
233.06134	1.2
265.04837	1.2
293.04379	1.1
299.10312	1.1
307.06100	1.0
317.11270	3.1
334.09000	12.6
335.05557	1.1
335.12772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.95497	0.2
57.03426	0.9
60.04502	0.2
61.02927	1.6
63.88546	0.2
65.03939	0.2
67.05505	0.2
69.03430	3.0
69.59203	0.1
70.06614	0.2
71.01351	0.5
71.04972	0.2
71.50365	0.1
73.02922	0.4
74.17818	0.2
77.03961	0.1
81.03410	0.5
81.07060	0.2
85.02911	1.3
85.06546	0.2
89.03886	0.8
91.05456	0.2
97.02885	0.9
101.02371	0.5
103.05468	0.3
106.06553	0.7
107.04906	0.2
109.02859	0.3
115.04059	0.2
116.04975	2.2
117.03312	0.2
119.03436	0.2
121.10089	0.2
122.10487	0.3
127.03899	1.0
131.04939	0.8
134.06038	0.4
137.05974	0.3
139.03902	0.2
144.04529	0.8
147.04434	0.2
148.07568	0.5
150.97078	0.1
151.03918	0.3
162.05499	100.0
163.03912	0.2
163.04448	0.2
163.05841	3.0
164.05878	0.2
185.07109	0.2
190.04988	31.2
191.05356	1.1
193.05057	0.2
205.06454	0.3
214.04971	0.3
232.06123	0.2
233.05969	0.4
237.05418	0.3
256.06052	11.8
257.06287	0.3
261.05423	0.4
263.07129	0.2
265.04965	0.5
271.10815	0.3
279.06500	0.8
288.06995	0.2
289.04990	0.7
293.04364	0.5
307.05969	0.6
316.08694	0.3
317.04535	0.4
334.09177	30.0
335.05399	0.8
335.09512	1.5
355.19513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44996	0.3
60.77958	0.3
69.03421	2.6
71.06093	0.8
81.03407	0.5
85.02918	0.4
89.03909	1.1
93.14743	0.3
97.02881	2.4
99.04481	0.4
109.02885	0.6
116.04963	3.7
123.04408	0.5
127.03912	0.7
139.03883	0.3
144.04382	2.3
162.05492	100.0
163.05876	2.3
165.01822	0.4
172.03905	0.8
190.04974	28.9
191.05359	0.8
228.06425	0.5
242.04486	0.4
256.06070	1.4
268.05945	0.4
280.05939	0.4
298.07068	0.6
310.66281	0.3
316.08136	19.9
317.08533	0.7
334.09186	11.2
334.15247	0.5
335.09406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.0
67.05506	11.4
70.53106	10.6
70.53452	31.4
71.04994	17.7
74.82413	8.3
79.05486	12.3
81.03428	17.1
81.07043	30.7
85.02898	11.1
87.24500	8.1
87.29405	8.4
91.05461	21.3
93.07034	27.5
93.99032	7.8
95.04972	10.2
95.08600	16.9
98.98447	22.4
105.07014	16.0
107.04987	12.0
107.08581	24.9
109.02877	21.5
109.10200	8.1
119.04906	11.2
121.06544	17.0
135.11650	23.3
137.05978	34.5
147.04446	12.2
153.01837	10.0
153.06982	9.4
153.12717	100.0
155.08534	9.3
163.11139	10.1
164.07001	11.8
167.07031	32.1
182.31833	8.4
183.08009	10.6
190.66977	9.3
207.06616	13.2
242.08694	8.8
288.09909	19.9
333.05969	82.1
333.17056	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	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03936	4.7
55.01862	4.7
55.05492	5.8
56.66212	1.8
57.03420	8.1
57.06830	2.2
57.07075	23.0
58.57951	1.9
59.04998	14.1
61.02905	9.1
67.05502	15.3
69.03095	2.3
69.03429	33.5
69.07067	11.9
71.04978	11.2
71.35264	2.7
71.35604	2.5
73.02903	5.4
79.05477	4.4
81.03411	16.2
81.07040	8.7
83.04957	4.0
83.08605	5.6
84.01562	1.8
85.02901	100.0
85.06538	17.3
87.04449	5.8
91.03945	5.8
91.05462	9.3
93.07032	10.0
95.04977	4.3
95.08606	67.4
97.02892	28.3
97.06523	10.4
98.98443	10.9
99.04440	5.7
99.08102	17.8
105.07024	2.7
107.05010	2.1
107.08588	12.9
109.02872	16.0
109.06504	12.9
109.10156	20.2
111.08089	10.3
111.11696	3.3
113.09642	63.3
113.10445	3.6
119.04974	2.8
119.08566	5.9
121.06499	3.1
121.10176	2.9
123.04385	3.3
123.11693	2.0
125.09579	2.5
127.03898	22.8
127.11186	47.2
131.08482	2.2
134.65393	1.8
135.08051	3.6
135.11665	15.2
137.13242	4.0
138.05435	2.3
145.04979	21.0
146.88843	1.9
147.04396	4.3
150.05478	3.3
151.07494	3.5
153.01826	5.0
153.12730	95.8
153.13974	4.9
155.14264	9.2
161.05931	2.5
163.06042	3.4
167.06981	2.4
169.22414	2.2
171.13794	45.7
172.14331	2.3
175.03937	3.9
177.12796	2.9
207.06488	3.9
213.14783	3.7
255.07716	2.9
263.06818	2.3
269.09161	9.7
273.08734	4.5
287.07129	4.2
287.10007	2.5
288.07751	10.1
291.06454	5.2
297.08618	5.4
297.17044	3.5
301.11761	2.5
305.07983	8.7
315.06659	12.2
315.09570	10.6
316.07169	5.2
333.07327	9.5
333.10733	6.2
333.19199	1.8
334.07770	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	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05505	2.4
57.03425	5.3
57.07071	3.5
59.05002	1.4
61.02929	3.5
67.05510	9.8
69.03426	11.5
69.07063	6.0
70.05182	8.2
71.01349	3.7
71.04965	3.9
73.02904	2.0
79.05493	17.3
81.03418	10.7
81.07063	11.3
83.04981	3.0
85.02908	57.4
91.05483	14.1
93.07042	33.7
95.04974	5.2
95.08605	5.0
97.02883	10.0
97.06512	4.5
98.98454	6.9
99.04433	3.4
101.02342	1.8
103.03937	3.6
105.07039	13.2
107.04993	1.7
107.08592	27.7
109.02900	11.5
109.06555	2.0
109.10146	5.1
111.04430	2.5
115.03922	3.5
117.05544	1.8
117.07024	5.3
119.04967	3.2
119.08586	5.8
121.02886	1.4
121.10127	10.2
123.04460	3.7
123.11655	4.3
125.06008	1.9
125.07903	1.8
125.09620	2.4
127.03922	12.6
129.07014	4.3
131.08562	5.2
133.06535	2.3
133.10107	12.6
135.11690	53.7
137.02344	14.0
137.05983	2.2
137.09532	1.8
138.09126	2.3
138.12430	1.4
139.03905	6.9
143.08586	2.9
145.04961	10.9
145.06548	2.2
145.10130	7.0
147.04419	4.1
147.08060	4.3
147.11731	7.7
149.13188	2.7
151.03914	2.4
151.11186	6.2
153.01851	4.5
153.05420	3.5
153.12761	7.3
155.08562	2.5
157.10109	1.7
159.08060	1.8
159.11726	6.7
161.09660	2.1
161.13226	2.2
163.03894	1.8
163.06015	4.8
163.07457	2.1
163.11145	3.2
165.12794	2.3
167.03419	2.6
167.10664	2.2
171.13844	3.7
173.09543	1.7
173.13211	1.6
174.11319	2.9
175.03920	3.1
175.11171	3.5
177.12769	3.0
183.08054	2.1
185.13199	2.4
189.12790	3.7
191.03386	4.2
191.14432	1.5
193.12160	3.3
195.06596	2.0
201.09068	2.6
201.12799	3.3
207.06569	6.1
208.06010	1.6
215.14272	2.5
216.04108	3.7
219.13768	2.9
227.03429	1.7
231.13821	2.9
233.15298	1.9
243.13875	3.9
244.03682	6.7
245.04466	3.1
249.14786	2.3
259.05823	2.7
261.03992	3.4
261.14890	6.4
269.09137	2.4
272.03098	2.6
273.03833	4.2
279.15970	12.2
287.05374	3.6
289.03268	2.6
297.17044	5.0
301.03366	7.8
315.04999	3.8
315.09012	1.5
315.18030	5.6
317.02911	8.0
318.03708	49.5
319.03888	2.2
333.06046	100.0
333.18961	9.2
334.06360	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	333.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.05510	5.4
57.07084	3.3
59.04988	11.9
61.80329	2.5
65.85179	2.6
66.28316	2.7
67.05502	8.5
68.96677	2.6
69.03410	8.0
69.07072	7.0
71.01318	3.0
71.04996	17.1
71.39970	4.0
72.97107	2.6
79.05491	12.1
81.03410	5.1
81.07054	41.1
83.04970	3.2
85.02901	8.7
85.06539	3.2
86.09698	3.5
90.33860	2.7
91.05470	6.9
93.07054	15.0
95.04924	5.7
95.08598	16.7
96.04459	3.6
96.08121	4.5
97.02905	6.5
97.06523	9.7
98.98454	28.3
99.04493	3.5
105.07028	8.0
107.04977	8.9
107.08612	9.3
108.05238	3.5
108.08064	4.0
109.02866	10.3
116.64188	2.7
120.08101	2.9
121.06509	7.8
121.10133	100.0
123.04413	4.8
123.11697	31.1
124.07619	7.3
125.05978	21.0
125.07913	3.9
125.09644	7.5
134.26808	2.8
135.08029	3.1
135.11673	3.6
137.02394	3.1
137.05998	4.5
139.03920	4.3
139.11177	28.6
143.10735	3.1
146.06027	3.7
147.04326	3.6
149.09607	8.5
153.01776	3.5
153.05400	3.1
153.09094	3.2
162.05498	99.4
162.06804	5.6
163.03868	4.5
165.05614	3.0
167.07085	5.8
167.10663	36.4
177.09039	3.4
181.06444	5.1
181.08563	6.2
185.11732	12.7
190.04994	17.9
194.08229	2.8
198.06702	3.5
230.04492	8.6
241.08543	3.6
243.25638	2.9
271.06064	3.4
273.11224	3.3
301.10791	5.6
304.08325	9.6
315.09271	4.3
315.12869	5.2
316.08008	15.3
318.03720	6.9
333.06360	14.1
333.10938	4.7
333.15173	65.2
334.09149	18.2
358.30600	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	333.0758
Annotation	Hypoxylone
Peak:m/z	Relative Intensity
51.52286	0.3
55.01865	0.6
55.05495	0.7
57.95794	0.2
65.03924	0.3
67.05480	0.8
69.03406	0.7
69.07054	0.3
69.38120	2.4
79.05486	0.8
81.03402	0.7
81.07041	1.2
85.06548	0.6
91.05481	1.4
91.55025	0.3
93.03412	0.3
93.07014	1.2
95.04974	0.6
95.08614	1.5
97.06528	0.3
98.98462	1.5
102.12815	0.3
103.05473	0.3
105.07005	1.1
107.04944	0.7
107.08614	0.6
109.02885	1.0
109.06507	0.3
109.10149	0.6
111.04439	0.5
115.05492	0.3
117.03370	0.3
117.06992	0.5
119.04922	1.1
119.08557	1.1
121.02869	3.4
121.06501	0.4
121.10128	0.9
123.04419	0.3
123.08068	0.5
125.09710	0.3
127.03851	0.5
131.04944	0.6
131.08549	0.4
133.10149	0.4
135.04387	0.4
135.08067	0.5
137.05998	0.9
145.10109	0.7
147.03398	0.3
147.04385	1.8
147.08073	0.3
149.02292	0.7
149.05751	0.3
149.09654	0.5
151.07518	0.5
153.05539	0.3
157.06488	0.3
157.10118	0.6
159.11700	0.5
161.09642	0.4
167.03349	0.6
167.07018	1.2
170.07285	0.4
171.04417	1.0
175.03889	1.7
175.11189	0.4
178.07785	0.5
179.07042	0.3
181.06500	0.4
181.08591	0.6
187.03813	0.4
190.07896	0.4
191.08553	0.5
193.10214	0.5
202.07765	1.1
203.08519	2.0
205.06549	0.3
206.07170	0.4
207.06514	2.7
207.08144	0.6
213.09206	0.3
215.08548	1.1
219.08092	0.7
221.09686	0.8
231.08043	6.8
232.08600	0.6
234.06844	0.6
235.07454	1.3
236.15468	0.3
239.03246	0.4
242.07213	0.6
245.06023	0.4
248.08084	0.7
249.05632	0.4
249.08968	1.8
258.06790	1.0
259.07520	9.6
260.08096	2.0
262.06180	0.6
263.07022	7.5
264.07474	0.4
270.06665	0.4
270.25983	0.3
271.07465	2.0
273.05499	0.7
273.11087	0.3
275.07166	0.4
276.07504	1.5
277.08499	4.2
278.08881	0.4
286.05872	0.4
287.07007	26.4
288.07513	8.0
289.08527	0.8
290.05548	0.4
291.06494	8.0
297.18542	0.5
298.06400	0.4
299.07230	0.4
301.10263	0.3
303.06436	0.7
304.06876	4.9
305.07971	15.6
306.08353	0.4
315.06491	20.4
315.19342	0.7
316.07260	21.7
317.07675	0.6
318.05347	0.4
319.05746	0.5
332.06610	2.3
333.07428	100.0
333.20697	1.2
334.07724	2.9
346.94955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0601
Annotation	mearnsetin
Peak:m/z	Relative Intensity
52.24582	0.1
53.03935	0.1
55.01868	0.2
65.03927	0.5
67.01866	0.6
68.99773	0.4
69.03425	1.0
69.39140	1.0
69.39465	0.2
78.90379	0.1
79.01843	0.5
80.02619	0.2
81.03384	0.4
81.07045	0.1
83.04966	0.2
91.05463	0.3
93.03394	0.5
95.01322	0.1
95.04961	2.1
97.02892	0.3
99.04445	0.2
105.03395	0.2
107.01270	0.1
107.04929	0.1
108.02087	0.1
109.02881	2.1
111.04435	1.0
115.05431	0.4
121.02837	0.5
123.00769	0.4
123.04427	1.5
124.01576	0.9
125.02346	5.7
125.05959	0.2
126.03177	0.2
126.66466	0.1
133.02849	0.5
135.04388	0.3
137.02309	1.3
137.05974	0.2
138.81973	0.1
139.03889	3.5
140.04614	0.3
141.05482	1.3
143.03371	0.3
144.05688	0.2
147.04343	0.2
147.08015	0.3
149.02316	0.3
150.03099	0.4
151.03889	4.0
153.01817	7.4
154.02162	0.1
160.05194	0.2
161.02338	0.4
161.05969	0.5
165.01826	1.9
165.92165	0.1
166.02550	0.4
167.03394	17.2
168.03752	0.3
171.04401	0.9
175.07547	0.8
177.05481	0.2
179.03377	6.4
179.76982	0.1
180.04146	1.3
185.04491	0.2
185.05949	0.6
188.04712	0.8
189.01762	0.1
189.05388	0.2
193.01299	0.4
193.04944	0.7
197.04451	2.3
199.03920	0.5
200.04626	0.4
201.05528	0.2
203.03381	0.3
203.07019	2.0
205.04961	0.2
207.02843	0.8
207.06435	0.3
208.03690	0.4
209.04396	1.4
213.05449	0.5
216.04170	2.6
217.04913	0.8
218.05620	0.1
219.06488	0.1
221.04382	0.3
221.08154	0.2
222.05228	0.3
223.02367	0.2
227.03395	0.3
228.04126	0.1
229.04919	0.3
230.05806	0.2
231.06502	6.6
232.06828	0.3
233.04402	0.6
234.05339	0.1
235.02472	0.6
235.05983	0.6
241.04965	0.5
243.06538	0.5
244.03647	1.3
245.04367	0.6
246.05142	0.2
247.06111	0.2
249.07581	0.6
257.04587	0.2
258.05179	0.7
259.06003	9.1
260.06366	0.4
263.05588	0.1
269.04523	0.7
271.05963	0.2
272.03067	0.7
273.03903	0.5
275.05536	0.1
277.07147	0.9
286.04681	0.4
287.05460	6.9
288.06036	0.2
289.03305	1.1
290.04257	2.8
297.03943	0.2
304.05753	2.7
305.06464	0.3
315.04999	1.3
318.03760	1.3
333.06021	100.0
334.06339	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	333.0604
Annotation	Nidifocene
Peak:m/z	Relative Intensity
50.83717	0.1
55.01854	0.3
56.03919	0.1
64.04299	0.1
65.03915	0.6
67.01852	0.3
67.05476	0.2
68.87664	0.1
68.99773	0.4
69.03429	0.9
69.03728	0.2
70.73168	0.5
79.01819	0.4
81.03406	0.2
83.04978	0.2
91.05450	0.2
93.03372	0.3
93.06400	0.2
93.06972	0.2
95.04969	1.5
97.02901	0.3
97.77872	0.2
98.98394	0.2
99.04401	0.3
107.01297	0.3
107.04909	0.2
109.02869	1.6
109.06511	0.2
111.04436	0.9
115.05420	0.3
121.02882	1.3
123.00803	0.3
123.04388	1.1
124.01556	0.8
125.01514	0.3
125.02361	4.2
130.94814	0.2
131.04903	0.4
133.02809	0.5
133.06509	0.2
134.81525	0.2
135.04407	0.2
137.02341	1.5
137.05951	0.2
138.03079	0.2
138.31767	0.2
139.02834	0.2
139.03888	2.8
141.05476	1.2
143.03363	0.3
144.05611	0.2
147.08055	0.2
149.02345	0.3
150.03125	0.2
151.02805	0.2
151.03902	3.1
153.00615	0.3
153.01826	6.0
153.05399	0.1
159.04424	0.3
160.05173	0.3
161.02391	0.2
161.05902	0.3
165.01855	1.8
166.02559	0.4
167.03403	15.2
168.03673	0.3
171.04402	0.9
175.07492	0.6
177.09045	0.3
178.30737	0.1
179.01875	0.3
179.03397	5.4
180.04221	1.1
185.05870	0.5
188.04716	0.8
189.01846	0.3
189.05347	0.2
193.01286	0.3
193.04938	0.9
197.04460	2.1
199.03835	0.2
200.04594	0.3
200.96259	0.2
202.02640	0.2
202.07748	0.5
203.03381	0.4
203.06921	1.7
203.08546	0.6
207.02747	0.6
208.03610	0.4
209.04456	1.3
213.05299	0.6
213.07065	0.2
215.03323	0.3
215.08566	0.3
216.04190	2.0
217.04916	0.9
221.04333	0.3
221.09543	0.2
227.03371	0.3
229.04880	0.3
231.06255	6.0
231.08102	1.4
233.04333	0.5
235.02264	0.6
235.05855	0.5
241.04756	0.4
241.06914	0.2
243.06387	0.3
244.03694	1.1
245.04291	0.4
246.05016	0.3
249.07399	0.5
249.09427	0.3
253.03546	0.2
257.04358	0.3
258.05133	0.5
259.05740	7.5
260.08151	0.4
261.03848	0.2
263.06952	0.7
269.04333	0.5
272.02942	0.5
273.03799	0.5
277.06271	0.2
277.08441	1.4
286.04785	0.3
287.05447	4.4
287.06616	3.7
288.07553	0.5
289.03458	0.9
290.04260	2.0
291.06729	1.1
304.05685	2.5
305.08173	3.7
315.06696	5.1
315.19333	0.3
316.07321	1.9
318.03766	1.3
319.05731	0.2
332.06454	0.4
333.05978	100.0
334.06287	4.1
347.05411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	mearnsetin
Peak:m/z	Relative Intensity
54.08947	0.1
55.01865	0.3
55.05500	0.1
65.03929	0.5
67.01853	0.5
68.99786	0.3
69.03416	0.7
69.54421	0.5
69.54850	0.3
70.93584	0.1
79.01835	0.5
81.03404	0.5
83.04957	0.2
83.70965	0.1
91.05444	0.3
93.03395	0.4
95.01357	0.1
95.04974	1.6
97.02876	0.4
105.03389	0.2
107.01312	0.3
109.02866	1.9
111.04434	0.8
115.05473	0.3
117.07043	0.1
119.01308	0.1
119.37562	0.1
121.02845	0.4
123.00795	0.4
123.04410	1.2
124.01573	0.8
125.02347	5.0
125.05955	0.1
126.03115	0.3
131.04915	0.1
133.02826	0.4
135.04443	0.1
137.02333	1.2
137.06023	0.2
138.03209	0.1
139.03899	3.2
140.04684	0.2
141.05457	1.2
143.03365	0.3
144.05684	0.2
147.04417	0.1
147.08026	0.3
149.02327	0.2
150.03142	0.4
151.03888	3.5
153.01823	6.9
156.11186	0.1
159.04475	0.1
160.05206	0.3
161.02271	0.5
161.05933	0.5
163.03854	0.1
165.01843	2.1
166.02600	0.3
167.03394	16.3
168.03757	0.2
171.04395	0.9
175.07539	0.5
177.05418	0.2
179.03386	6.0
180.04160	1.1
183.04395	0.2
184.64185	0.1
185.05997	0.3
188.04675	0.8
189.01761	0.2
189.05504	0.1
193.01337	0.3
193.04961	0.9
197.04439	2.3
197.06148	0.2
199.03897	0.4
200.04698	0.4
201.05457	0.1
203.03378	0.4
203.07008	2.1
205.04924	0.2
206.05742	0.2
207.02921	0.7
207.06525	0.2
208.03616	0.3
209.04446	1.5
213.05461	0.6
215.03413	0.2
216.04155	2.3
217.04907	0.8
221.04520	0.2
221.08170	0.2
222.05171	0.2
223.02437	0.2
227.03384	0.2
228.04097	0.1
229.04935	0.4
230.05611	0.2
231.06502	6.2
232.06880	0.2
233.04362	0.7
234.05278	0.1
235.02373	0.6
235.06059	0.5
241.04996	0.6
243.06525	0.5
243.81203	0.1
244.03650	1.6
245.04276	0.5
246.05208	0.3
247.05905	0.2
249.07664	0.6
253.03343	0.2
258.05246	0.7
259.06000	8.8
260.06305	0.3
261.03973	0.2
262.04755	0.2
262.67731	0.1
269.04462	0.8
271.06036	0.1
272.03152	0.7
273.03864	0.9
275.05457	0.1
277.07025	1.1
286.04663	0.6
287.05475	6.4
288.05801	0.3
289.03522	0.8
290.04184	2.4
297.03824	0.2
300.02481	0.1
304.05786	2.5
305.06509	0.3
315.04965	1.3
318.03711	1.5
333.06018	100.0
334.06342	3.6
348.56488	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	333.0601
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
55.01863	0.7
60.04499	0.7
65.03933	0.8
67.05491	1.2
69.03440	0.8
69.07052	0.6
69.38302	4.7
79.05481	0.7
81.03416	1.4
81.07049	1.8
91.05474	1.6
93.03422	0.6
93.07055	1.3
95.04957	1.7
95.08600	1.6
97.06522	0.9
98.20774	1.2
98.98446	2.1
105.07009	1.5
107.08582	2.0
109.02880	1.8
109.06505	0.6
109.10117	1.0
110.03631	0.7
111.04436	0.9
119.08556	1.1
121.02865	2.8
121.06504	0.9
121.10123	0.6
123.00780	1.8
123.04434	1.8
125.02351	0.8
127.03887	0.7
131.08511	1.0
133.10106	0.6
135.11699	0.7
137.02338	17.0
137.03412	1.3
137.05989	0.8
144.08070	3.0
145.10054	1.1
147.04359	0.6
147.11678	0.6
149.02364	1.0
150.03130	0.9
151.00296	0.6
151.03766	0.7
153.01790	1.4
153.09169	0.5
159.11661	0.8
165.01831	0.8
165.06944	0.6
167.03358	3.1
168.00478	0.7
169.01306	3.6
171.04440	1.3
171.11658	0.6
175.03941	0.9
179.03432	1.0
183.02863	1.2
185.05965	1.2
195.02806	0.7
195.74849	0.6
199.03932	1.1
213.05447	1.3
216.04167	1.6
217.04915	0.8
227.03442	1.6
231.06351	0.5
244.03658	3.4
245.04402	2.5
258.09927	0.6
259.06107	1.8
264.39594	0.6
271.05896	0.7
272.03085	1.1
273.03864	2.3
287.05423	8.8
289.03442	1.2
290.04199	1.8
301.03424	24.6
302.04022	1.7
315.05286	1.7
315.19531	0.9
317.02957	5.0
318.03662	17.9
326.20990	0.6
333.06030	100.0
334.06375	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	333.0602
Annotation	mearnsetin
Peak:m/z	Relative Intensity
53.05978	0.2
55.18507	0.2
62.73277	0.2
65.03928	0.4
65.05426	0.2
67.01858	0.6
68.99791	0.2
69.03413	0.7
71.03323	0.4
72.66437	0.2
78.18285	0.2
79.01848	0.5
80.02622	0.3
81.03404	0.4
93.03389	0.5
95.04961	1.8
97.02873	0.3
105.33107	0.2
109.02873	1.7
111.04432	1.0
119.08651	0.2
121.02843	0.5
123.00764	0.5
123.04436	1.3
124.01559	0.6
125.02351	4.8
126.03091	0.3
133.02858	0.5
137.02324	1.3
139.03908	3.0
140.04646	0.3
141.05450	1.4
147.07980	0.2
149.02386	0.2
150.03096	0.3
151.03908	3.4
153.01819	5.6
153.03009	0.4
161.05920	0.3
165.01819	2.1
166.02614	0.3
167.03395	15.6
171.04416	0.6
175.07539	0.7
177.05476	0.3
179.03384	5.4
180.04155	1.2
185.06041	0.4
188.04652	0.8
193.01134	0.3
193.04991	0.7
197.04456	2.1
199.03877	0.4
200.04588	0.3
203.03300	0.4
203.06999	2.0
207.02911	0.7
209.04440	1.2
213.05453	0.6
216.04152	1.8
217.04945	0.6
221.04597	0.3
231.06514	6.9
233.04370	0.5
235.02409	0.4
235.05972	0.5
241.04904	0.7
243.06516	0.4
244.03662	1.4
245.04340	0.4
246.05173	0.3
246.11371	0.3
249.07576	0.7
258.05127	0.5
259.06027	8.8
269.04449	0.7
272.03119	0.5
273.03848	0.6
277.07144	1.1
286.04776	0.4
287.05466	6.7
287.08517	0.4
289.03363	0.5
290.04166	2.8
304.05768	2.6
305.06485	0.3
315.05008	1.7
318.03720	1.5
333.06024	100.0
334.06326	4.3
334.10297	0.2
335.37827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	mearnsetin
Peak:m/z	Relative Intensity
53.03915	0.1
55.01867	0.3
57.63908	0.1
58.86797	0.1
65.03930	0.4
67.01862	0.6
67.05472	0.1
68.99774	0.4
69.03424	0.7
69.82786	0.5
79.01852	0.4
80.02647	0.2
81.03401	0.4
83.04946	0.2
84.76688	0.1
91.05476	0.2
93.03399	0.5
95.01317	0.2
95.04967	1.6
97.02885	0.5
98.21489	0.2
99.04447	0.2
107.01325	0.1
108.02072	0.1
109.02139	0.1
109.02872	1.9
109.72385	0.1
111.04431	1.1
115.05438	0.3
117.07003	0.2
117.82339	0.1
119.01240	0.1
119.04986	0.1
121.02848	0.5
123.00769	0.3
123.04411	1.4
124.01560	0.9
125.02344	4.8
125.05978	0.2
126.03179	0.2
133.02829	0.5
135.04422	0.2
137.02336	1.6
137.03319	0.2
137.05933	0.2
138.03165	0.1
139.03891	3.6
140.04643	0.2
141.05443	1.5
143.03391	0.3
143.04993	0.1
144.05675	0.3
147.00758	0.2
147.04375	0.1
147.08067	0.3
149.02319	0.3
150.03154	0.5
151.03882	3.9
152.01016	0.1
152.04489	0.1
153.01814	7.3
154.02151	0.2
160.05222	0.2
161.02333	0.4
161.05962	0.4
163.03894	0.2
165.01822	2.0
166.02583	0.4
167.03387	17.3
168.03699	0.3
171.04384	1.0
175.07545	0.8
177.05432	0.3
179.03374	6.1
180.04149	1.1
185.04478	0.2
185.05983	0.4
187.03871	0.1
187.07475	0.1
188.04701	0.8
189.01831	0.2
189.05472	0.1
193.01282	0.4
193.04967	1.0
194.02074	0.1
197.04433	2.4
197.06122	0.2
198.03030	0.1
199.03807	0.5
200.04611	0.4
201.05403	0.1
202.02585	0.1
203.03412	0.3
203.07031	1.9
204.07550	0.1
205.04938	0.2
206.05661	0.2
207.02885	0.7
207.06526	0.3
208.03651	0.3
209.04431	1.3
213.05421	0.7
216.04187	2.2
217.04926	1.0
218.05649	0.1
219.06438	0.1
221.04381	0.4
221.08101	0.1
221.13004	0.1
222.05159	0.3
223.02374	0.1
227.03387	0.4
228.04175	0.2
229.05038	0.5
231.06500	6.6
232.06801	0.2
233.04430	0.7
234.05209	0.3
235.02426	0.6
235.05891	0.4
241.04890	0.6
243.06512	0.4
244.03658	1.4
245.04205	0.6
246.05247	0.4
247.06039	0.2
249.07625	0.6
253.03329	0.2
257.04514	0.2
258.05176	0.9
259.05994	9.9
260.06296	0.3
269.04465	0.9
271.06046	0.2
272.03058	0.7
273.03937	0.6
275.05380	0.2
276.06204	0.2
277.07013	1.1
286.04663	0.4
287.05460	7.0
288.05612	0.2
289.03387	0.8
290.04156	2.7
291.04575	0.2
297.04065	0.2
304.05740	3.0
304.09210	0.2
305.06448	0.4
315.04962	1.7
316.05460	0.1
318.03723	1.7
333.06003	100.0
334.06314	4.2
334.10318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03951	1.0
57.03433	0.9
61.02922	2.1
65.03937	1.4
66.10040	0.5
67.05495	2.1
69.03425	6.3
69.88974	2.2
72.71609	0.6
73.02913	2.4
79.05494	1.2
81.03416	1.8
85.02907	7.3
87.04463	2.4
91.05428	0.7
96.23661	0.5
97.02872	2.9
100.93727	0.5
106.06539	5.1
108.08115	100.0
123.06789	4.7
124.07588	16.7
127.03932	2.2
134.06018	13.3
136.07571	11.9
152.07065	73.3
154.08643	2.3
160.63403	0.6
170.08107	9.5
279.27802	0.7
314.12344	21.8
332.13388	24.9
333.13754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.8
57.03428	3.7
57.07074	56.0
58.07391	3.4
58.62329	1.2
60.64544	1.0
67.05499	14.9
68.90229	1.2
69.07063	9.2
69.16647	1.2
69.44660	6.9
70.06584	10.1
71.04994	1.0
71.06902	2.2
71.08244	2.2
71.08630	41.1
72.08952	2.5
75.04466	1.4
79.05499	2.2
81.07052	17.0
83.08616	14.9
85.10181	21.0
88.07626	14.0
89.07951	3.1
91.05472	1.6
93.07035	1.5
95.08606	29.0
97.10159	6.8
98.20761	1.7
98.21352	3.5
98.98463	35.2
99.11716	1.6
102.09173	3.8
105.07059	1.7
106.08672	8.1
106.63509	1.3
109.10156	12.7
119.08585	1.5
123.11715	6.5
131.08566	1.1
131.14410	1.0
137.13246	2.5
164.49243	1.1
175.03929	1.5
176.98904	2.0
178.07745	5.1
179.03497	1.2
239.23734	8.7
257.24835	3.2
273.00912	1.2
283.87543	1.2
313.27365	28.6
313.32877	9.4
314.27542	1.5
331.33984	100.0
332.34470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57395	0.8
53.03934	0.9
55.01873	1.5
55.05488	2.7
64.91280	0.8
67.05505	6.5
68.46114	1.0
69.03432	1.5
69.07082	5.4
69.45888	7.6
71.04971	3.1
74.75330	0.8
79.05509	6.6
81.07059	11.5
83.04982	5.8
85.06543	12.7
91.05477	7.3
93.07047	9.7
94.78408	0.9
95.04967	2.1
95.08611	12.7
97.06527	100.0
98.98466	46.6
105.07035	13.1
107.04933	2.6
107.08598	8.7
109.06532	6.1
109.10160	4.5
111.08076	1.3
117.07009	5.2
119.04940	1.3
119.08580	19.0
121.06493	10.1
121.10125	7.6
123.08075	5.6
123.11739	1.9
125.06016	8.9
125.09634	1.3
128.06203	1.5
129.06989	2.7
131.08559	10.9
133.06505	2.5
133.10114	9.4
135.08008	2.8
135.11676	2.4
137.05949	3.0
137.09605	3.9
139.84134	0.9
141.06947	1.8
142.07767	1.5
143.08565	7.4
145.10117	11.7
147.08051	7.8
147.11688	7.1
149.09586	7.1
151.07545	3.3
151.11165	1.7
153.07048	1.1
155.08545	2.8
156.09358	1.4
157.06424	1.3
157.10135	9.0
159.08101	1.7
159.11685	13.0
161.05911	1.7
161.09621	7.4
161.13245	2.6
163.07526	1.8
163.11180	5.9
165.07019	1.6
169.10170	4.6
171.08098	1.3
171.11679	11.2
173.09674	2.2
173.13232	8.6
174.99197	1.6
175.03908	2.6
175.11206	14.2
175.14781	5.8
176.98952	5.0
177.12772	11.3
179.03371	2.8
181.06403	0.9
181.10117	2.0
183.08141	1.1
183.11694	3.5
185.13260	4.5
187.11209	2.2
187.14816	3.7
189.05362	1.0
189.09076	1.5
189.12730	7.2
193.10068	1.4
195.11674	2.1
197.06033	1.1
197.13211	4.7
199.14774	4.9
201.12735	3.6
205.15872	1.4
209.13232	1.9
211.14795	5.3
213.05432	1.5
213.12785	2.2
213.16374	3.9
215.14319	2.4
217.15842	3.7
221.13260	2.3
223.14740	1.2
225.12761	1.0
225.16426	1.7
227.14282	1.3
229.08672	1.2
229.15846	2.8
231.17389	3.1
235.14804	2.2
237.16417	7.2
239.14401	2.5
241.04852	1.1
241.08673	1.1
243.10217	1.4
243.17563	1.2
247.09654	1.5
249.16493	1.2
251.17934	2.6
253.08420	1.1
253.15939	1.2
253.19504	5.2
255.17468	12.4
267.17319	1.1
269.18945	2.4
271.20551	8.3
277.19537	5.2
280.18100	1.3
295.20563	38.4
303.06564	1.6
313.21603	49.5
316.05707	1.9
331.04648	2.1
331.08182	2.9
331.11816	8.0
331.22647	91.3
332.06512	1.5
332.22977	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
52.57395	0.8
53.03934	0.9
55.01873	1.5
55.05488	2.7
64.91280	0.8
67.05505	6.5
68.46114	1.0
69.03432	1.5
69.07082	5.4
69.45888	7.6
71.04971	3.1
74.75330	0.8
79.05509	6.6
81.07059	11.5
83.04982	5.8
85.06543	12.7
91.05477	7.3
93.07047	9.7
94.78408	0.9
95.04967	2.1
95.08611	12.7
97.06527	100.0
98.98466	46.6
105.07035	13.1
107.04933	2.6
107.08598	8.7
109.06532	6.1
109.10160	4.5
111.08076	1.3
117.07009	5.2
119.04940	1.3
119.08580	19.0
121.06493	10.1
121.10125	7.6
123.08075	5.6
123.11739	1.9
125.06016	8.9
125.09634	1.3
128.06203	1.5
129.06989	2.7
131.08559	10.9
133.06505	2.5
133.10114	9.4
135.08008	2.8
135.11676	2.4
137.05949	3.0
137.09605	3.9
139.84134	0.9
141.06947	1.8
142.07767	1.5
143.08565	7.4
145.10117	11.7
147.08051	7.8
147.11688	7.1
149.09586	7.1
151.07545	3.3
151.11165	1.7
153.07048	1.1
155.08545	2.8
156.09358	1.4
157.06424	1.3
157.10135	9.0
159.08101	1.7
159.11685	13.0
161.05911	1.7
161.09621	7.4
161.13245	2.6
163.07526	1.8
163.11180	5.9
165.07019	1.6
169.10170	4.6
171.08098	1.3
171.11679	11.2
173.09674	2.2
173.13232	8.6
174.99197	1.6
175.03908	2.6
175.11206	14.2
175.14781	5.8
176.98952	5.0
177.12772	11.3
179.03371	2.8
181.06403	0.9
181.10117	2.0
183.08141	1.1
183.11694	3.5
185.13260	4.5
187.11209	2.2
187.14816	3.7
189.05362	1.0
189.09076	1.5
189.12730	7.2
193.10068	1.4
195.11674	2.1
197.06033	1.1
197.13211	4.7
199.14774	4.9
201.12735	3.6
205.15872	1.4
209.13232	1.9
211.14795	5.3
213.05432	1.5
213.12785	2.2
213.16374	3.9
215.14319	2.4
217.15842	3.7
221.13260	2.3
223.14740	1.2
225.12761	1.0
225.16426	1.7
227.14282	1.3
229.08672	1.2
229.15846	2.8
231.17389	3.1
235.14804	2.2
237.16417	7.2
239.14401	2.5
241.04852	1.1
241.08673	1.1
243.10217	1.4
243.17563	1.2
247.09654	1.5
249.16493	1.2
251.17934	2.6
253.08420	1.1
253.15939	1.2
253.19504	5.2
255.17468	12.4
267.17319	1.1
269.18945	2.4
271.20551	8.3
277.19537	5.2
280.18100	1.3
295.20563	38.4
303.06564	1.6
313.21603	49.5
316.05707	1.9
331.04648	2.1
331.08182	2.9
331.11816	8.0
331.22647	91.3
332.06512	1.5
332.22977	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
54.07599	2.7
55.01867	6.6
55.05484	3.9
57.03438	3.7
57.07080	3.0
57.20093	2.3
60.29612	2.3
66.30057	2.7
67.05500	10.7
69.03417	16.8
69.07070	3.7
70.06571	3.1
70.57151	9.1
71.04990	6.3
77.03988	2.6
78.94894	2.3
79.05483	8.2
81.03426	6.2
81.07066	14.4
83.04969	3.3
85.02891	11.2
85.06539	10.9
91.05475	36.1
93.07024	9.0
94.04172	3.6
94.93213	2.7
95.04964	11.4
95.08617	8.6
97.02895	4.2
97.06509	3.7
98.97805	4.4
98.98457	90.5
99.04454	2.9
99.08109	2.6
103.05473	11.1
105.07032	10.2
107.04955	22.0
107.08578	10.9
108.08135	3.1
109.02850	4.6
109.06514	9.1
109.10155	7.3
111.04438	2.8
111.08071	5.7
113.05975	4.6
114.05406	2.3
115.05463	6.2
116.99516	3.8
117.06977	2.8
119.04923	24.4
119.08585	2.8
121.06499	14.0
121.10122	3.3
122.03640	8.8
123.04433	5.8
123.08087	4.1
123.11729	14.8
124.19836	2.5
127.03864	3.7
128.06221	6.1
129.06998	16.2
131.04938	11.3
131.08559	3.1
133.02905	3.0
133.06477	7.2
133.10123	6.3
135.04399	7.2
135.08025	7.7
136.05177	5.4
137.05971	100.0
139.11203	4.8
141.07097	2.4
143.04929	5.2
145.06459	5.5
146.03625	4.3
147.04398	43.0
149.05952	20.4
150.06732	8.0
151.03922	7.0
151.07538	96.7
151.11191	10.8
152.06165	6.0
153.01863	5.8
153.05513	3.4
153.06953	3.2
155.08562	3.6
157.06444	12.1
161.05959	53.3
161.09636	8.4
162.02899	2.3
162.06618	3.0
163.03903	3.5
163.07547	31.8
165.07005	29.4
165.09094	4.7
166.07701	4.1
167.08543	18.7
169.04948	7.8
169.06541	6.7
169.12231	64.7
174.06789	8.5
174.99223	2.9
175.03915	5.3
175.07491	4.2
176.98907	7.4
177.05432	2.5
177.09128	3.1
178.07817	6.4
179.03401	18.5
179.06981	2.5
179.08595	4.6
181.06474	8.3
181.08464	2.5
182.07262	8.3
183.08028	9.6
189.05498	16.1
189.09099	42.3
192.09285	2.5
193.06503	19.8
193.10144	7.5
194.07190	4.2
195.07996	24.7
197.05945	9.1
197.09546	3.8
202.07898	2.4
206.07306	3.4
207.08195	4.9
207.10156	15.9
209.09480	4.3
210.06778	17.3
211.07573	21.1
212.08363	4.1
221.05989	27.9
221.09499	13.5
222.10306	2.7
223.07510	10.7
224.08243	4.3
225.05547	3.9
225.09076	24.2
227.07072	6.2
227.10641	27.5
234.06683	3.6
235.07469	6.3
237.09087	4.4
238.06172	7.9
238.10002	3.2
239.07008	21.5
240.07751	7.9
241.08763	3.0
249.09009	7.4
252.07849	3.9
253.08551	40.2
253.12169	14.7
255.06433	3.6
255.10185	26.1
256.07144	4.7
263.07013	5.5
267.10242	7.3
269.08105	7.6
271.09637	53.7
272.10248	8.0
281.08206	4.9
281.11545	5.8
285.11212	20.0
287.12772	40.8
295.09647	9.5
313.07260	5.2
313.10715	60.2
313.14362	12.5
314.07822	2.7
331.12109	9.4
331.15695	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99789	2.3
55.01863	2.7
55.05502	4.5
55.07091	2.2
67.05492	10.1
68.07435	2.4
69.03426	6.0
69.07068	7.0
69.75323	15.5
71.04963	4.0
74.23325	2.2
75.73617	2.2
77.25441	2.6
79.05489	5.2
81.03374	4.6
81.07060	17.7
85.02896	7.1
85.16557	2.4
91.05485	36.8
93.07034	9.1
94.04185	5.4
95.04955	11.1
95.08597	5.6
97.02858	3.0
97.06523	5.4
98.21441	3.5
98.98467	93.2
103.05445	5.8
105.07038	11.9
107.04946	8.3
107.08573	7.1
109.02900	5.9
109.06512	7.4
109.10159	5.6
111.04414	5.1
119.04916	18.1
119.08520	3.3
120.16479	2.5
121.06493	9.2
121.10117	3.7
122.03642	7.2
123.04482	3.3
123.08066	3.4
123.11708	17.6
127.03889	3.2
128.06172	7.0
129.06998	16.5
131.04913	6.6
133.06511	3.2
133.10118	3.4
134.03537	2.6
135.08046	8.3
136.05202	3.9
137.02385	3.4
137.05971	91.0
145.06480	4.7
147.04375	3.7
149.05952	15.5
151.03909	6.7
151.07538	100.0
151.11154	4.4
152.06239	3.6
157.06491	16.0
161.05984	17.1
161.09647	4.7
163.03860	2.8
163.07541	23.6
165.06985	20.0
165.09151	5.7
166.07765	3.2
167.03384	15.0
167.07327	3.0
167.08513	14.9
169.05008	11.9
169.06343	3.5
169.12210	4.3
171.11777	2.5
174.06670	4.2
174.99181	2.5
175.03911	4.4
175.07510	6.0
176.98901	8.3
177.05476	4.7
177.09126	4.5
178.07803	9.9
179.03419	13.6
179.08563	3.1
181.06467	6.2
182.07352	4.8
183.07939	2.8
189.09079	34.9
191.14320	2.9
192.09404	2.7
193.06461	7.1
193.10139	10.2
194.07257	5.1
195.08070	27.9
197.05989	6.8
205.04903	2.9
207.10158	5.1
209.05989	5.0
209.09532	4.0
210.06776	8.3
211.07539	5.2
212.08240	4.4
221.05952	10.0
221.09581	13.2
223.07501	14.7
224.08405	5.0
225.05496	6.1
225.09081	15.4
227.07022	4.8
227.10651	31.4
237.05473	3.3
237.09058	3.3
238.06238	5.3
239.10622	3.1
241.08675	3.1
243.06490	4.8
249.09106	9.3
252.07764	3.7
253.08614	20.2
253.12222	19.8
255.06491	5.2
255.10162	32.0
259.06027	3.5
260.06772	3.3
267.10178	8.9
269.08090	8.2
269.11609	2.8
270.08829	5.2
271.06131	4.7
272.10403	5.4
275.05408	3.9
281.11703	9.4
284.10358	4.0
285.08356	3.7
285.11169	23.3
287.05524	6.6
287.09415	3.8
287.12769	43.4
288.06265	4.1
299.05493	5.5
299.08612	2.6
303.05865	2.9
313.14325	16.3
316.02362	4.3
316.05682	26.2
331.04636	18.1
331.08087	88.5
331.11740	14.3
331.15363	10.4
331.18784	3.8
332.08514	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	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01873	1.8
67.05480	3.8
69.03403	2.7
69.79892	10.0
70.06576	1.9
79.05482	4.5
81.07051	7.1
91.05484	28.9
93.07037	3.6
94.04179	3.4
95.04953	6.0
95.08583	2.4
98.88464	1.6
98.98465	44.6
103.05444	9.1
105.07009	4.3
107.04945	11.5
107.08597	1.9
109.06471	3.7
112.94735	1.7
115.05418	3.3
119.04935	21.0
121.06499	9.2
121.10120	1.9
122.03643	5.5
123.11690	5.7
128.06223	3.2
129.06990	17.1
131.04893	5.3
131.08525	3.5
133.06523	2.5
135.04459	1.8
135.08052	7.5
136.05219	3.6
137.05972	81.1
145.06427	5.2
147.04428	3.4
147.08069	2.4
147.67670	1.7
149.05981	18.3
149.09587	1.6
151.03880	3.6
151.07541	100.0
152.06149	3.8
153.01884	2.1
157.06499	12.8
161.05956	20.9
161.09596	6.3
163.07544	26.4
165.06989	12.1
165.09103	4.3
166.07745	2.0
167.08548	13.8
169.12242	3.3
174.06731	6.4
174.99231	2.0
175.03899	2.3
175.07515	5.2
176.98894	5.0
177.06886	1.8
177.09155	3.2
178.07742	6.2
179.03380	6.0
179.08418	2.2
181.06483	5.9
181.10066	2.1
182.07213	4.6
184.08801	3.0
189.09090	42.0
191.08495	3.0
192.09386	2.9
193.06474	7.1
193.10086	10.8
194.07263	3.1
195.08090	23.5
197.05995	5.8
197.09639	2.3
203.08496	2.5
207.08226	2.5
207.10104	9.8
209.05875	2.7
209.09486	3.7
210.06770	9.3
211.07533	2.7
212.08269	5.6
221.05977	12.5
221.09581	11.5
223.07608	11.9
224.08261	3.4
225.05406	2.4
225.09102	12.0
227.07037	2.6
227.10649	30.1
237.08952	3.6
238.06227	4.5
238.09935	2.8
239.06918	3.1
240.07709	5.1
241.08577	2.1
249.09116	6.3
252.07881	2.5
253.08569	15.1
253.12289	15.2
255.10159	32.1
263.10657	2.6
267.10077	6.3
267.88379	1.8
269.08069	4.6
269.11615	2.2
270.08752	2.9
272.10223	3.7
281.11725	6.7
285.11273	22.0
287.12759	41.7
298.11884	3.3
301.14270	2.6
313.14398	13.6
316.08765	2.0
331.11755	2.7
331.15479	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01850	2.2
65.03923	2.1
66.04692	1.1
67.05490	3.6
69.03412	1.3
69.71555	4.6
69.71962	2.7
74.01019	1.1
77.03905	1.3
77.52682	1.0
77.78265	1.2
79.05472	4.7
81.03413	6.7
81.07053	4.8
83.04949	1.5
84.10647	1.3
91.05483	35.3
93.07031	2.9
93.08187	1.2
94.04198	3.1
95.04971	7.6
95.08617	2.7
98.21477	1.4
98.98470	34.7
103.05463	5.1
105.07033	5.1
107.04964	8.2
107.08549	1.4
109.06535	7.3
109.10154	1.2
113.04674	1.3
115.05421	2.5
116.99471	1.5
117.07024	2.7
119.04941	23.7
119.08550	1.1
121.06507	8.7
121.07233	1.7
121.10174	1.6
122.03651	8.8
123.08024	2.0
123.11697	3.0
128.06204	5.7
129.07007	17.6
131.04933	8.9
131.08507	1.7
132.05807	1.4
134.03542	1.4
135.04366	1.6
135.08047	5.9
136.05190	4.4
137.05980	85.6
138.06248	1.3
145.06505	4.5
146.03615	2.5
146.07205	1.5
147.08049	2.1
147.09169	2.7
148.05118	1.8
149.05957	14.3
151.03926	3.8
151.07544	100.0
152.06203	4.9
153.01886	1.5
153.07034	2.7
157.06482	15.1
161.05981	15.2
161.09634	3.8
163.07555	25.0
163.08844	1.0
165.07010	13.7
165.09120	5.3
166.07787	5.0
166.71118	1.3
167.07207	1.1
167.08563	20.3
169.06470	2.5
174.06773	6.0
175.03835	1.5
175.07530	6.3
176.98950	2.3
177.05539	1.3
177.07072	1.8
177.09123	3.9
178.07784	7.0
179.03441	3.0
179.08534	2.0
181.06464	3.6
182.07297	5.2
183.08066	2.2
189.09111	38.5
191.08533	1.5
192.09312	2.1
193.06454	7.2
193.08646	1.3
193.10172	8.1
194.07272	3.5
195.08057	28.5
196.08760	2.1
197.06047	6.6
197.09628	2.0
199.07516	1.4
202.07716	1.6
203.08571	2.2
205.06497	1.7
206.07178	2.0
207.08247	2.3
207.10158	5.2
209.05960	2.9
209.09653	4.0
210.06761	11.2
211.07498	6.0
212.08296	4.5
219.08051	2.3
220.08757	1.7
221.06032	10.6
221.09537	12.0
222.06575	1.2
223.07552	12.1
224.08377	5.5
225.01768	2.0
225.05472	3.4
225.09070	11.6
227.07022	3.7
227.10654	31.5
237.05432	1.8
237.09097	4.2
238.06268	6.8
238.09920	2.1
239.07048	3.4
239.11885	3.5
240.07727	3.6
241.08627	2.9
249.09148	6.1
251.07051	1.9
252.07761	2.6
253.08591	16.7
253.12244	17.5
255.06357	2.1
255.10168	29.5
256.10687	2.2
263.10770	1.6
266.09384	1.4
267.10654	7.0
269.08142	4.7
269.11584	2.6
270.08759	1.5
271.02399	4.0
272.10379	3.6
273.00269	2.4
281.11703	6.5
284.10474	2.5
285.11215	18.7
286.11465	1.5
287.12775	46.0
288.13046	2.5
291.40936	1.3
295.10773	3.3
299.01746	6.7
300.99722	3.7
301.14401	1.7
313.14398	12.9
315.05029	1.8
316.02100	7.2
316.05740	8.1
331.04431	22.2
331.08096	17.9
331.12476	9.6
331.15726	3.8
332.04227	2.1
344.59558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05505	4.0
58.72867	1.7
60.68575	1.8
61.01138	5.1
65.03940	7.9
67.05506	4.9
69.02124	2.2
69.03437	4.4
69.92500	10.5
78.63502	1.8
79.05507	9.4
81.03421	4.0
81.07060	13.1
83.04968	3.2
85.02885	2.9
85.06542	2.3
86.99034	2.5
89.00614	8.2
91.05480	19.6
93.03383	2.3
93.07041	7.8
93.46426	2.0
94.04156	2.5
95.04961	5.4
95.08623	7.8
96.02101	3.7
97.06493	2.2
98.98463	77.4
100.98891	3.8
103.05447	4.9
105.06998	10.2
107.01277	2.8
107.04926	4.7
107.08585	13.2
109.02888	4.7
109.06520	4.1
109.10143	5.6
111.04449	23.0
115.05465	7.3
116.99449	2.7
117.07020	5.9
119.04907	10.5
119.08559	4.8
121.06517	6.4
121.10137	3.9
122.03642	4.1
123.04417	4.3
123.11713	4.3
127.03912	2.0
128.06197	5.0
129.07007	11.9
131.04979	9.4
131.08575	4.9
132.05716	2.8
133.02859	2.2
133.06517	3.5
133.10117	4.1
135.08060	5.8
137.05968	38.6
139.03877	11.9
141.07011	10.0
143.04865	2.4
143.08585	2.8
144.05725	2.5
145.06497	9.5
145.10056	2.6
146.07317	3.0
147.04390	4.5
147.08028	4.4
149.05971	7.1
151.03850	2.5
151.07535	43.5
152.06212	3.4
153.01836	3.7
153.05609	1.8
153.06956	9.3
154.07774	4.8
155.08560	5.5
156.05710	2.1
157.06541	13.4
158.07280	3.5
159.04471	2.2
161.06001	12.1
163.07521	10.6
163.14876	2.7
164.89391	2.3
165.06961	14.6
165.09103	3.3
166.07698	3.4
167.03439	10.5
167.04701	2.4
167.07195	2.1
167.08521	10.3
168.05751	9.7
169.06441	15.0
169.07671	2.1
169.10092	4.1
171.04453	4.3
171.08089	7.9
173.05975	5.1
173.13257	10.7
174.06732	4.9
174.99196	3.0
175.03954	4.3
175.07545	7.2
175.11241	2.2
176.98909	4.7
177.05563	2.8
177.09131	2.3
178.07780	9.3
179.03484	9.3
179.08549	15.4
181.06454	16.0
181.10017	2.2
182.07269	7.8
183.08064	6.1
184.05206	7.3
185.05936	17.3
185.09621	2.4
186.06758	7.2
187.03952	2.4
189.07503	2.8
189.09061	14.4
191.14275	9.3
193.06454	5.4
193.10083	4.7
195.05588	2.6
195.08060	12.7
196.05246	8.7
196.08791	4.4
197.05927	25.6
197.09680	11.8
198.06654	4.4
199.03865	3.0
199.07573	5.7
201.05478	2.7
201.09099	2.5
206.07341	2.3
207.08083	19.2
207.09923	3.9
209.05838	7.3
210.06781	12.0
211.07468	19.8
212.04671	3.5
212.08221	4.6
213.05374	4.2
213.09198	2.5
214.06166	12.3
221.06024	5.8
221.09636	7.1
223.07549	7.2
224.04704	4.8
224.08321	15.1
225.01903	4.5
225.05394	25.2
225.09050	28.4
226.06226	12.2
226.09663	2.4
227.07018	34.1
227.10522	11.0
228.07318	2.3
229.04846	15.0
229.08675	5.7
235.07492	10.3
237.05380	2.8
238.06229	4.8
239.06995	17.0
239.10669	7.4
240.07852	3.7
241.04967	5.5
241.08592	3.4
242.05730	17.1
242.09308	3.3
244.07196	2.2
249.09158	3.6
252.04362	2.7
252.07686	3.1
253.05118	6.9
253.08597	49.3
253.12241	6.1
254.05769	12.8
254.09154	3.4
255.06490	41.8
255.10135	13.7
256.07001	5.0
257.04739	1.8
257.08066	8.5
257.11792	6.6
267.06561	4.6
267.10223	8.6
269.08005	3.0
270.05215	7.6
270.08795	11.3
271.02328	9.6
271.07108	4.6
271.09689	10.9
272.06802	8.8
272.10095	2.3
273.00305	3.0
281.08121	27.6
281.11417	4.3
282.08807	6.3
285.07632	100.0
285.11206	42.2
286.08035	5.3
286.11459	2.9
287.12799	18.7
295.09708	4.9
299.01999	15.6
299.09113	57.1
299.12491	3.3
300.09650	4.6
300.99646	6.3
313.07993	8.1
313.10934	63.8
313.14349	9.0
314.11148	5.1
316.02075	15.3
316.09125	6.1
331.04517	41.7
331.11832	60.6
331.15475	7.5
331.19077	3.5
332.04684	2.3
332.12061	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.89902	1.5
59.56347	1.5
60.59833	1.4
63.87121	1.3
64.17247	1.3
64.19446	1.5
64.85896	1.5
65.03938	2.1
67.05502	2.6
69.40087	9.7
69.40518	4.5
70.18171	1.4
79.05467	4.7
81.07053	3.2
86.32616	1.6
91.05482	31.5
94.04205	3.9
95.04947	6.4
98.98463	22.3
103.05460	5.0
105.07014	4.2
107.04948	8.5
109.06496	5.5
111.04399	1.5
115.05475	2.1
117.06975	2.5
119.04948	17.3
121.06464	7.9
122.03637	8.4
123.08026	1.9
123.11552	2.1
128.06209	5.7
129.06993	16.8
131.04945	7.7
131.08612	2.5
133.06425	3.6
135.08026	5.8
136.05196	3.9
137.02345	2.4
137.05971	91.7
143.04935	1.8
145.06493	4.4
146.03661	1.6
149.05957	14.9
150.06760	1.3
151.03943	3.6
151.07533	92.3
152.06204	4.4
152.07909	2.1
153.06995	1.9
157.06485	13.6
158.07297	4.0
161.05984	14.2
161.09607	5.1
163.07533	25.4
165.07008	13.7
165.09108	4.4
166.07771	2.8
167.07248	2.2
167.08553	12.3
168.54230	1.6
169.06401	2.1
174.03677	1.4
174.06754	7.6
175.03860	1.9
175.07530	5.1
176.98885	2.8
177.05501	2.2
177.07066	1.8
177.09061	4.3
178.07771	6.3
179.03362	2.9
179.08533	4.2
181.06505	5.5
182.07274	4.7
185.05872	1.7
186.06758	6.6
187.07539	1.8
189.09111	38.3
191.08437	1.6
193.06522	7.0
193.10118	8.8
194.07286	2.6
195.08038	25.9
196.05171	4.9
197.05975	9.3
199.07744	2.0
203.08582	2.8
205.06616	2.5
207.10130	6.5
209.05800	6.1
209.09525	3.6
210.06743	10.7
211.07545	6.0
212.08290	7.6
213.05441	4.0
214.06227	5.9
220.08707	2.0
221.05965	7.3
221.09602	14.7
223.07562	10.3
224.04671	3.5
224.08304	4.8
225.05479	3.6
225.09065	12.0
227.07082	4.1
227.10652	28.0
237.05281	1.8
237.09000	3.8
238.06183	5.2
238.09883	1.9
240.07788	4.9
241.04761	1.9
241.08653	2.4
241.12209	2.0
242.05728	5.3
249.09039	9.0
252.04219	1.8
252.07803	1.9
253.04924	2.6
253.08557	17.4
253.12239	21.3
255.06245	1.9
255.10159	33.0
256.10620	1.8
266.09409	1.8
267.10110	5.7
269.04251	2.1
269.08066	5.5
269.11563	1.7
270.05255	36.1
270.08405	3.9
271.05603	1.9
271.09695	3.4
272.10547	4.0
281.11691	6.6
285.11188	19.6
287.05511	5.2
287.12766	44.8
288.13306	2.0
297.03943	7.4
298.04739	12.6
299.05432	7.3
302.04041	2.7
313.08170	3.5
313.14297	13.3
315.04904	14.2
316.05963	11.0
316.08411	10.9
331.04709	4.2
331.08093	100.0
331.11459	8.9
331.15479	6.3
332.08429	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01875	1.8
55.05508	17.7
65.03943	2.0
67.05495	1.6
69.03417	1.7
69.07038	1.7
79.05473	5.3
81.07063	6.3
82.06570	6.8
83.04966	3.0
83.08614	9.7
85.02882	2.5
85.86177	1.1
91.05480	29.9
93.07021	1.9
94.04178	3.3
95.01288	1.1
95.04968	6.7
95.08559	3.1
97.06524	2.3
98.09665	1.8
98.20792	2.4
98.98466	27.1
100.07602	2.0
100.11253	37.2
103.05452	3.6
105.07018	6.6
107.04979	6.5
107.08582	2.2
109.02867	2.9
109.06490	5.3
109.10120	2.7
110.06051	3.1
111.04413	5.3
112.07601	1.5
115.05448	3.5
117.07007	2.7
119.04935	17.4
119.08543	2.9
121.02837	1.4
121.06504	5.2
121.10133	1.4
122.03639	9.0
123.04418	1.8
123.11684	4.6
126.09144	1.3
128.06209	3.5
128.07080	4.2
129.07008	12.8
131.04933	6.4
131.08517	1.7
133.06496	2.6
133.10129	1.5
134.03667	1.2
135.04399	1.6
135.08043	5.0
136.05159	4.8
137.02332	3.3
137.05974	80.0
139.08632	1.4
141.06979	1.9
141.11493	1.7
143.08621	1.3
145.06468	4.8
147.04413	2.5
148.05234	1.4
149.05959	12.9
151.03893	4.8
151.07541	100.0
152.06219	4.2
152.07906	1.4
153.06967	2.0
156.05750	1.3
157.06482	14.0
161.05983	14.7
161.09598	4.5
162.06726	1.6
163.07539	20.9
164.07816	1.5
165.06995	14.6
165.09114	4.7
166.07700	3.8
167.03337	1.2
167.07175	1.5
167.08533	13.7
169.06389	2.6
169.09869	1.5
173.13327	1.5
174.06738	6.8
174.99149	1.9
175.03986	1.6
175.07529	5.4
176.98941	2.1
177.09109	3.7
178.07762	5.3
179.03426	8.1
179.08546	3.5
181.05014	2.3
181.06401	5.7
181.10172	1.4
182.07231	4.0
182.15381	13.4
183.07942	1.9
189.09111	32.2
192.09296	2.0
193.06444	7.6
193.08647	1.2
193.10117	8.1
194.07304	2.9
195.05534	1.4
195.06201	1.8
195.08041	25.4
196.08826	3.0
197.05894	7.6
197.09654	2.4
198.06755	1.3
199.11150	1.4
199.18074	3.1
203.08516	3.2
204.66429	1.9
205.06540	1.8
206.07240	1.8
207.08182	2.7
207.10164	6.6
209.05862	4.3
209.09576	3.0
209.16483	10.7
210.06755	9.2
210.14905	12.1
211.07504	4.9
212.04652	1.3
212.08290	4.5
214.06113	1.4
218.17036	1.5
218.66199	1.3
220.08838	2.7
221.05959	10.0
221.09560	11.5
222.06706	1.4
223.07526	10.1
224.08266	5.7
225.05434	3.1
225.09097	9.2
226.19124	8.7
227.07022	3.4
227.10654	25.8
227.17543	2.0
228.15965	2.6
229.08383	1.3
235.07457	1.8
237.05501	1.8
237.09105	2.9
238.06256	4.8
239.07071	2.4
239.10605	1.7
240.07690	4.2
241.08488	1.6
241.12225	1.3
242.05768	2.2
245.04507	2.1
249.09071	7.5
252.07841	2.4
253.01292	1.7
253.08589	19.2
253.12228	18.1
254.05598	1.8
255.06505	2.8
255.10146	30.9
257.04370	2.3
257.08151	1.9
267.10199	4.8
269.08102	5.3
269.11771	2.6
270.08755	1.8
271.02301	2.2
271.06577	2.4
272.10464	3.9
273.00970	1.8
273.03912	8.7
281.11646	6.9
281.70071	1.6
284.10391	2.8
285.07730	5.1
285.11197	21.1
287.05511	5.0
287.12775	47.3
288.06287	2.6
288.13043	1.5
295.07031	1.5
299.01935	6.3
299.05334	1.8
299.09027	3.6
299.12576	2.5
300.99759	2.6
301.14178	1.4
313.07898	3.0
313.10956	3.4
313.14279	11.6
315.04990	11.6
316.02222	3.4
316.05692	33.0
316.09146	2.9
317.06265	1.6
326.27826	6.5
331.04419	15.8
331.08102	95.8
331.11664	8.0
331.15262	6.9
331.25735	1.3
332.08316	7.2
336.22595	1.7
349.12759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1175
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
52.96055	1.7
53.03961	1.7
53.65307	1.9
55.01866	5.0
55.05500	2.1
57.03441	2.6
65.03938	6.2
67.05489	4.6
67.08667	1.7
69.07079	2.3
69.49251	10.1
69.49651	4.0
79.05498	4.0
81.03419	3.9
81.07065	8.3
83.04999	2.2
85.02930	3.8
85.06568	2.2
89.00599	5.9
91.05524	9.2
91.85974	1.8
93.03425	4.1
93.07050	5.5
95.04987	6.3
95.08628	5.4
96.02135	4.8
97.06554	3.4
98.21511	3.6
98.98463	63.9
103.05463	2.3
105.07030	6.4
107.01327	3.5
107.04959	4.0
107.08589	8.7
108.55329	1.7
109.02876	4.7
109.06537	3.1
109.10156	5.2
111.04431	24.0
115.05472	6.6
116.99517	2.0
117.07038	3.9
119.04913	3.7
119.08578	2.2
121.06502	3.7
121.10178	4.0
123.04440	3.2
123.11728	5.5
128.06190	4.9
129.07010	6.1
131.04930	6.2
131.08601	2.2
133.10164	2.7
133.46106	2.1
135.08101	3.1
137.05954	16.0
139.03912	14.0
139.19724	2.0
141.06995	14.8
143.04994	2.2
145.06433	9.9
145.10014	2.0
146.07310	4.0
147.04424	7.2
147.08037	4.7
149.09676	2.4
151.03972	3.3
151.07550	15.4
152.06276	3.8
153.05539	3.6
153.07011	8.6
154.07790	4.1
155.08575	5.8
157.06485	7.0
158.07301	4.1
159.04408	3.6
161.06038	5.0
163.07584	4.8
165.05779	1.8
165.06927	10.4
167.03415	8.7
167.08589	5.7
168.05757	11.8
169.06412	14.7
169.10118	4.9
170.07256	3.2
171.04477	6.7
171.08084	7.1
173.06035	6.5
173.13356	4.7
174.06783	5.3
174.99321	2.8
175.07619	2.8
176.98970	4.5
178.07828	8.1
179.03433	8.3
179.08560	15.3
181.06493	13.2
182.07249	5.6
183.07993	9.2
184.05241	5.7
185.05960	21.4
185.07202	1.9
186.06720	9.9
189.05507	2.4
189.07130	4.2
189.09196	6.3
191.08617	2.0
191.14339	4.4
193.06509	4.6
195.05606	3.2
195.07990	9.4
196.05243	7.0
196.08902	4.6
197.05951	29.6
197.09663	9.1
198.06667	4.0
199.03818	2.6
199.07574	5.0
201.05510	2.7
206.07336	2.5
207.08092	12.3
209.05934	7.5
210.06737	9.7
211.07542	19.0
212.04729	5.6
213.05325	8.9
214.06241	11.1
214.09903	3.3
221.09697	2.4
223.07564	4.6
224.04854	3.3
224.08276	13.2
225.01884	4.0
225.05434	32.3
225.09027	32.1
226.06227	15.2
227.07034	35.2
227.10739	5.5
229.04965	17.0
229.08626	3.6
235.07501	9.9
237.05687	2.8
237.08946	2.0
238.06241	3.6
239.07045	16.3
239.10753	7.1
241.04855	4.2
241.08656	4.5
242.05710	20.1
242.09438	2.3
243.06537	2.4
244.07471	3.3
247.87941	1.9
249.09264	2.3
251.07042	1.9
252.04333	4.7
252.07919	4.8
253.01608	2.2
253.04735	10.1
253.08572	44.1
254.05733	23.1
255.06516	43.7
255.10289	3.4
256.07169	4.8
257.08182	6.9
257.11835	6.4
263.07138	3.5
267.07126	4.4
267.10324	9.7
269.04654	2.1
269.08228	4.6
270.05322	6.3
270.08875	10.0
271.02502	8.1
271.07162	3.8
271.09610	14.7
272.06757	10.1
273.00427	2.1
281.08130	34.0
282.08856	9.1
285.07693	100.0
285.11276	30.9
286.08109	3.5
287.12866	8.6
295.09970	3.3
295.13266	2.7
298.08374	2.1
299.01865	12.6
299.09119	57.6
299.12506	2.9
300.09668	2.8
300.99857	6.6
313.10843	58.3
313.14474	4.4
314.11099	3.0
316.02240	8.4
316.08997	3.6
321.02716	2.5
331.04669	31.0
331.11853	66.0
331.15488	5.9
331.19003	2.2
332.12305	2.3
344.46338	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	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01853	0.3
55.05491	0.5
57.03431	0.1
57.07046	0.2
60.04516	0.4
61.91291	0.2
65.03938	0.8
65.78806	0.2
67.01841	0.2
67.05509	0.9
69.03418	0.4
69.07044	0.4
69.71777	1.0
71.04974	0.2
74.09708	0.1
79.05482	0.5
80.28041	0.2
80.68652	0.2
81.03397	0.5
81.07046	1.7
83.04970	0.3
85.02887	0.2
85.06528	0.3
91.05452	1.0
92.02620	2.1
93.03400	2.0
93.07018	0.7
95.01318	0.2
95.04960	0.8
95.08595	0.9
97.02892	0.2
97.06537	0.4
98.21499	0.3
98.98463	15.7
99.92399	0.2
100.98866	0.3
105.03418	0.2
105.07018	0.9
107.04948	0.4
107.08604	0.8
109.02879	1.0
109.06498	0.5
109.10151	0.6
111.04431	0.5
116.99525	0.5
117.07006	0.3
119.04940	0.3
119.08577	0.6
121.02860	1.7
121.10094	0.4
122.03649	0.3
123.04455	0.4
123.08076	0.2
123.11718	0.9
125.02326	0.5
128.06223	0.2
129.06970	0.2
131.04950	0.3
131.08543	0.5
133.06508	0.2
133.10072	0.2
134.03540	0.2
135.04420	0.2
135.08031	0.3
135.11644	0.2
137.02367	0.3
137.05029	0.2
137.05974	2.1
138.03131	0.4
139.03807	0.2
140.01085	0.3
140.04666	2.5
142.07707	0.2
143.08542	0.4
145.06493	0.2
145.10115	0.5
147.04346	0.2
147.07994	0.3
147.11699	0.4
149.02322	0.2
149.06001	0.2
149.09560	0.2
150.03105	0.2
151.03909	1.8
151.05003	0.3
151.07513	0.7
151.14917	0.2
153.01813	0.2
153.05447	1.2
153.06938	0.3
153.32532	0.2
155.04909	0.2
155.08578	0.2
157.06479	0.2
157.10091	0.3
159.08138	0.4
159.11673	0.2
161.05989	0.4
161.09683	0.2
163.03955	0.2
163.07542	0.3
165.07011	0.3
166.02626	0.3
167.03395	23.0
168.03699	0.3
168.05768	0.2
169.06467	0.4
169.10123	0.2
170.07297	0.2
173.13342	0.3
174.99260	0.4
175.03923	0.9
176.98929	1.0
177.05455	0.5
179.03418	2.0
179.07016	0.2
180.04214	0.3
181.06522	0.5
182.07210	0.3
183.04381	0.2
183.08080	0.4
184.03682	0.3
184.05266	0.4
185.05957	0.3
187.03920	0.4
187.07567	0.4
189.05406	0.3
189.09030	0.4
193.05003	0.4
195.08153	0.4
196.05243	0.2
197.05971	0.3
197.51918	0.2
199.03993	0.2
199.07640	0.2
200.04681	0.6
203.07010	0.3
204.07811	0.3
205.12167	0.2
207.06526	0.2
209.05737	0.3
210.06828	0.3
211.07483	0.3
212.04637	0.2
212.08258	0.2
213.05449	0.8
213.09146	0.2
214.06206	0.8
215.07018	1.3
215.10393	0.2
217.04922	2.1
218.05594	0.3
219.08075	0.2
223.07681	0.2
226.06218	0.2
227.03416	1.2
227.07018	0.3
228.04198	0.3
228.07751	0.3
229.08678	0.3
231.06508	4.3
232.07312	1.6
233.04268	1.0
237.05356	0.2
239.06929	0.3
241.04971	0.3
241.08566	0.4
242.05722	3.0
243.06508	6.3
243.10255	0.3
245.04456	1.8
246.05145	0.3
247.07480	0.3
247.09718	0.4
255.06325	0.2
255.10176	0.2
256.03754	0.5
257.04266	0.3
257.08072	0.3
259.05994	5.0
260.06808	3.2
269.08182	0.2
270.05331	0.4
271.06036	3.2
271.09189	0.3
273.04080	1.0
273.06903	0.2
274.04596	0.8
275.06842	0.2
275.09412	0.3
283.02518	0.2
284.03104	0.2
285.07983	0.2
285.11209	0.3
287.05478	4.0
287.12711	0.4
288.06284	7.2
289.06931	0.2
298.04614	0.8
299.02219	0.3
299.05521	6.0
299.08969	0.5
300.06125	0.4
301.00076	0.2
301.03555	0.6
302.07959	0.3
303.06506	4.6
313.14575	0.2
313.18054	0.2
315.05005	0.5
316.05765	23.7
317.06042	0.8
331.08182	100.0
331.11282	4.3
332.08627	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	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.59926	0.2
56.29628	0.2
63.87857	0.3
69.06985	0.2
70.22143	1.0
72.67703	0.2
81.06969	0.3
83.04926	0.2
91.05409	0.3
97.06458	0.7
97.35649	0.2
98.98469	3.6
103.50177	0.2
107.04866	0.4
109.02792	0.4
109.06453	0.6
121.02802	0.4
124.05125	0.5
131.89688	0.2
134.03520	0.3
137.02364	0.5
151.03903	1.3
153.01839	1.4
153.02798	0.3
161.05933	0.2
174.53603	0.2
174.99133	0.3
175.03964	0.3
176.98856	0.2
178.12668	0.2
179.03416	0.5
189.05377	0.9
194.02000	0.3
203.03358	0.5
217.04948	6.9
218.05295	0.4
227.03394	0.3
228.04088	1.2
229.04886	1.0
230.05716	0.3
231.02766	0.6
241.04797	0.3
241.63374	0.3
242.05765	0.3
243.06462	0.5
245.04451	14.3
256.03604	0.3
257.04422	1.1
258.05139	0.6
269.04428	0.9
270.05170	0.4
271.05887	0.6
273.03931	13.8
275.24606	0.2
285.03900	0.9
286.04434	0.3
287.05551	3.5
288.06302	2.3
297.03943	0.6
299.05441	1.2
300.02591	2.4
301.03421	24.6
302.03915	1.5
303.06476	0.2
315.04968	15.5
316.05759	59.7
317.06149	2.1
331.08109	100.0
332.08453	4.4
342.93414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Dillenetin
Peak:m/z	Relative Intensity
50.79594	0.2
50.99565	0.3
54.55864	0.2
55.05471	1.1
55.05713	0.3
55.45269	0.3
67.05480	0.4
67.67135	0.3
70.07125	1.2
73.15326	0.3
81.07001	0.7
82.06553	0.5
83.08566	0.7
89.59680	0.2
91.05464	0.6
93.06986	0.3
95.01311	0.5
95.04912	0.7
95.08536	0.5
97.02835	0.3
97.06459	0.4
98.98462	5.2
100.11263	2.7
105.06985	0.8
107.08553	0.3
109.06464	0.3
110.03676	1.3
110.05951	0.3
111.04388	0.8
117.06925	0.3
119.08517	0.5
121.02782	0.5
122.03593	0.4
123.00790	0.3
123.04391	0.3
123.11695	0.4
131.04878	0.3
133.10086	0.3
137.02344	3.6
137.05933	1.1
139.08607	0.3
141.11336	0.2
147.11668	0.3
149.02257	0.4
149.05873	0.4
150.03113	0.7
151.03864	0.6
151.07491	1.1
158.79420	0.3
161.05907	0.5
163.07433	0.3
165.06993	0.3
167.03333	1.1
168.82521	0.3
175.03841	0.3
175.14757	0.5
176.98886	0.3
178.44418	0.3
179.03384	1.7
181.04897	0.4
182.15344	1.0
187.03929	0.3
189.09042	0.5
195.03004	0.3
195.08015	0.5
199.03851	0.7
204.08145	0.3
207.02788	0.8
209.16484	1.3
210.14862	1.0
211.15164	0.3
213.05353	0.4
214.06107	0.8
217.04936	1.0
223.04147	0.2
226.19125	0.7
227.03288	0.4
227.10643	0.6
231.02968	0.3
231.06441	0.3
241.04855	0.3
242.05717	1.8
243.06482	1.1
245.04454	1.9
251.97491	0.3
257.04388	0.6
259.06055	1.1
270.05322	0.8
271.05869	1.6
273.03909	11.4
274.04105	0.4
285.03799	0.4
286.04843	0.4
287.05469	4.8
287.12589	0.6
288.06265	3.9
299.05609	1.2
315.04977	11.3
316.05746	39.9
317.06073	1.1
326.27991	0.6
331.08099	100.0
332.08469	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	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
58.74825	0.3
63.06666	0.2
75.22134	0.2
75.87939	0.3
91.05396	0.3
92.02531	0.5
95.01215	0.6
95.04851	0.5
98.21557	0.5
98.98335	5.4
98.99054	0.6
108.02026	0.3
109.02793	0.4
110.03526	2.5
119.08523	0.3
121.02719	1.0
122.03527	0.6
123.04295	0.3
135.11580	0.2
137.02342	6.4
137.03293	0.6
145.09917	0.3
147.04347	0.3
149.02238	0.5
150.03059	0.6
151.03766	0.8
154.81342	0.3
167.03395	1.7
175.03809	0.6
176.98828	0.4
179.03229	0.7
180.03966	0.4
185.05797	0.3
189.05444	0.5
198.32378	0.3
199.03795	0.9
207.02855	0.6
212.04497	0.3
213.05351	0.8
214.06346	1.2
217.04843	0.9
227.03371	1.2
228.04085	0.3
229.04878	0.5
231.02780	0.5
231.06451	0.6
232.07083	0.3
241.05066	0.5
242.05739	3.0
243.06499	1.8
245.04422	2.6
257.04370	0.6
258.05188	0.6
259.05963	2.4
260.06744	0.3
269.04407	0.5
270.05164	1.1
271.05930	2.3
272.02966	0.4
273.03934	16.5
274.04132	0.5
285.03918	0.3
286.04614	1.0
287.05502	8.7
288.06210	5.1
299.05518	1.7
300.02472	0.5
300.06091	0.4
301.03479	0.4
315.04974	21.3
316.05765	73.0
317.06100	2.1
331.08121	100.0
332.08527	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
51.61471	0.2
55.04416	0.1
65.03929	0.7
66.51678	0.2
67.01844	0.2
69.35844	1.4
73.99992	0.2
81.07040	0.2
91.05447	0.2
92.02621	2.4
93.03400	2.1
93.06998	0.2
94.04197	0.2
95.01292	0.2
95.04948	0.6
98.98458	2.7
107.04909	0.2
108.63281	0.2
109.02824	0.2
109.10137	0.2
111.04437	0.6
121.02853	1.7
122.03601	0.2
123.04415	0.5
125.02333	0.2
133.02879	0.2
137.02386	0.3
137.05998	1.2
138.03123	0.4
140.04669	2.5
147.00720	0.2
150.03093	0.3
151.03888	2.2
151.05003	0.3
153.05475	1.3
155.04892	0.2
161.05910	0.2
163.03943	0.3
166.02657	0.4
167.03387	24.0
168.03749	0.5
171.04427	0.2
175.03929	0.2
176.98880	0.3
177.05408	0.5
179.03343	1.1
180.04153	0.4
183.04410	0.2
184.03639	0.3
184.05147	0.2
185.06084	0.2
187.07516	0.6
189.05486	0.2
193.04959	0.7
197.04480	0.3
199.03859	0.2
200.04689	0.5
203.07025	0.4
204.07811	0.4
206.05672	0.2
213.05431	0.6
214.06163	0.5
215.07040	1.1
217.04909	2.2
218.05644	0.3
227.03391	1.2
228.04153	0.8
231.06514	4.5
231.08589	0.3
232.07245	1.5
233.04405	1.0
242.05701	3.2
243.06500	7.4
244.06798	0.4
245.04410	2.1
246.05257	0.3
256.03558	0.7
257.04474	0.2
257.08047	0.3
259.06009	5.2
260.06744	3.3
270.05124	0.5
271.05988	4.2
272.06369	0.3
273.03918	1.1
274.04605	0.8
275.09271	0.2
284.03064	0.2
285.07535	0.4
287.05444	4.2
288.06253	8.6
289.06677	0.4
295.72662	0.2
298.04688	0.9
299.01974	0.3
299.05457	6.2
300.05966	0.5
301.03452	0.5
302.07852	0.4
313.06900	0.2
315.05042	0.6
316.05750	26.0
317.06183	0.9
331.08081	100.0
332.08405	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.03928	0.2
54.14035	0.1
55.01869	0.2
55.05501	0.2
57.10009	0.1
65.03928	0.7
66.88432	0.1
67.01847	0.2
67.05507	0.7
69.03423	0.3
69.07063	2.4
70.80392	0.2
71.04965	0.1
76.27030	0.1
79.05466	0.4
81.03442	0.6
81.07050	1.3
85.02879	0.3
85.06498	0.1
91.05468	0.5
92.02064	0.2
92.02619	2.5
93.03402	2.1
93.07021	0.5
95.01311	0.2
95.04959	0.6
95.08604	0.5
97.06536	0.2
98.98461	6.4
105.07010	0.3
107.04939	0.2
107.08602	0.2
109.02885	1.6
109.06481	0.3
109.10150	0.8
111.04432	0.8
112.07711	0.1
113.06016	0.1
115.38259	0.1
120.02071	0.2
121.02859	1.8
121.06491	0.3
121.10130	0.2
122.03629	0.4
123.04440	0.6
123.08068	0.2
123.11700	3.6
124.01535	0.2
124.05225	0.2
125.02348	0.4
128.06200	0.1
130.88512	0.1
131.08562	0.3
133.02824	0.2
133.10141	0.2
135.04408	0.3
135.08035	0.2
137.02309	0.3
137.05968	1.2
138.03094	0.3
140.04686	2.6
141.05447	0.2
145.10130	0.1
147.11656	0.2
149.02399	0.1
149.09576	0.2
150.03113	0.2
151.03891	2.1
151.04999	0.2
151.07521	0.4
151.11166	1.4
153.05460	1.2
153.06706	0.2
159.08049	0.3
161.05975	0.3
161.09584	0.2
163.03850	0.3
163.07466	0.1
165.07008	0.2
166.02612	0.3
167.03391	23.6
168.03760	0.4
169.12215	0.2
171.04468	0.1
171.11507	0.1
173.05876	0.2
174.99188	0.3
175.03906	0.5
175.11151	0.2
176.98932	0.3
177.05444	0.4
179.03398	1.5
180.04135	0.4
183.04398	0.2
184.03645	0.2
184.05217	0.2
185.04379	0.1
185.05949	0.3
186.06635	0.2
187.03871	0.2
187.07556	0.3
189.05484	0.2
189.09109	0.2
190.06172	0.1
193.04991	0.5
195.02917	0.3
197.04428	0.3
197.05980	0.2
198.06805	0.1
199.03920	0.2
200.04678	0.5
201.05402	0.2
203.07007	0.3
204.07790	0.2
205.05038	0.2
206.05681	0.3
209.05490	0.3
211.07584	0.2
213.05441	0.5
214.06215	0.5
215.07014	1.4
217.04959	2.4
218.05701	0.3
225.05547	0.2
227.03348	1.1
228.04161	0.7
229.04884	0.2
231.06508	4.4
232.07272	1.3
233.04356	1.0
235.13289	0.1
238.06253	0.1
239.06947	0.1
241.04916	0.2
242.05736	3.5
243.06516	7.0
244.07014	0.3
245.04453	2.3
246.05199	0.2
247.09746	0.3
256.03619	0.7
257.04453	0.3
257.08063	0.3
259.05994	4.9
260.06769	3.4
269.04608	0.2
270.05280	0.4
270.08371	0.2
271.05978	3.9
271.09366	0.2
272.06409	0.1
273.03897	0.8
274.04648	0.5
275.09290	0.3
284.03180	0.4
285.07642	0.4
287.05460	4.1
288.06259	8.0
289.06805	0.2
298.04672	1.0
299.05505	5.7
299.08984	0.3
300.06003	0.3
301.03412	0.4
302.07803	0.3
303.06320	0.3
315.04990	0.5
316.05759	25.3
317.05963	0.7
331.08099	100.0
332.08481	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	331.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	0.6
69.03416	0.4
69.07070	0.4
71.51377	0.2
79.05475	0.4
81.03391	0.3
81.07047	1.3
87.45578	0.2
91.05466	0.7
92.99657	0.2
93.07044	0.7
95.04951	0.3
95.08587	0.5
97.06498	1.0
97.10156	0.3
98.98460	10.2
105.06999	0.5
107.08562	0.6
109.02883	0.4
109.06496	0.7
109.10171	0.4
116.99464	0.4
119.04955	0.2
119.08567	0.3
121.06452	0.3
121.10120	0.2
123.08010	0.2
123.11690	0.8
125.04531	0.2
128.06203	0.2
129.06934	0.2
131.04903	0.2
131.08502	0.2
133.10100	0.3
135.08028	0.2
137.06001	0.9
143.08400	0.2
145.10109	0.4
147.04411	0.3
149.06055	0.3
151.07527	0.4
153.01811	0.2
155.08609	0.3
157.06473	0.2
157.46127	0.2
159.08092	0.2
161.06119	0.2
161.59363	0.2
165.05647	0.2
165.07007	0.5
167.03470	0.4
173.13301	0.2
175.03906	0.8
176.98929	0.7
177.05467	0.3
179.03398	0.6
182.07266	0.2
183.08076	0.3
183.44814	0.2
189.05441	0.2
190.07742	0.2
191.08553	0.5
201.07040	0.2
205.06442	0.4
207.06429	0.5
209.05569	0.4
209.61583	0.2
211.07565	0.2
219.08167	0.9
221.05946	0.2
225.05493	0.2
227.10600	0.2
229.06459	0.9
229.08559	0.3
233.06035	0.3
243.10242	0.2
247.07483	2.2
247.09598	0.3
249.05466	0.4
255.06107	0.3
255.09993	0.3
256.07166	0.3
257.05972	1.2
258.06754	0.5
261.05426	0.4
270.08426	0.6
271.09576	0.5
274.06192	1.0
275.03958	0.3
275.06995	4.8
285.05515	0.5
286.06122	0.9
287.06879	0.4
289.04977	0.6
299.05518	0.3
299.09256	0.2
302.05835	0.9
303.06494	18.8
304.06815	1.1
314.05716	0.3
316.05588	0.6
316.09006	1.1
318.05176	0.7
330.05164	0.3
331.05957	100.0
331.22482	0.8
332.06628	16.0
346.04651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.9
69.48802	3.8
69.49208	1.1
79.05481	1.0
81.03413	0.7
81.07042	1.6
85.06544	0.6
91.05469	4.3
93.07032	1.5
95.04958	0.7
98.21473	1.3
98.98463	11.9
103.05453	0.9
105.07007	1.4
107.04952	0.6
107.08578	0.6
109.02895	0.7
109.06479	0.9
109.10101	0.8
115.05441	0.9
119.04922	1.9
119.08572	0.8
121.06467	1.5
122.03653	1.2
123.11704	1.0
125.05972	0.7
127.03923	0.6
129.07001	1.5
131.04901	2.2
133.06540	0.6
133.10172	0.7
135.08078	1.0
137.05977	9.1
149.05951	1.7
151.07539	11.5
151.11182	0.6
157.06454	1.7
157.10077	0.6
157.63213	0.5
159.04417	0.8
161.06021	2.1
163.07552	3.3
165.06992	1.4
167.08549	1.5
169.02769	0.7
169.12277	0.7
171.04320	0.6
174.99188	0.5
175.03929	0.8
178.07799	1.0
179.03423	1.7
181.06467	0.8
187.03900	2.4
189.01778	0.7
189.09135	4.0
193.06583	0.6
193.10095	1.2
195.08101	3.3
197.02286	1.7
197.05998	0.9
200.00905	0.8
201.01837	0.7
207.10075	0.8
210.06720	1.3
214.02705	0.8
215.03384	6.2
215.13739	0.5
217.01425	1.7
217.12190	0.8
221.06088	0.7
221.09705	0.8
223.00374	0.7
223.07571	1.3
225.01810	9.2
225.05370	0.9
225.09123	1.3
227.10704	3.6
228.00493	3.2
232.03648	1.2
239.07158	0.8
239.11777	1.1
242.02092	2.1
243.02859	1.4
245.00830	1.5
249.09177	1.1
253.01332	1.7
253.08597	2.0
253.12236	1.7
255.10118	3.1
256.00082	1.5
257.04370	1.5
260.03214	2.0
267.11160	1.6
269.07968	0.7
270.01724	1.2
271.02365	23.8
272.02600	1.1
272.10306	0.6
273.00241	8.1
281.11670	1.0
283.99493	2.2
285.00339	1.3
285.11282	2.6
287.12775	4.5
288.02505	0.8
295.10739	1.5
297.31943	0.6
298.01041	1.2
299.01843	39.5
300.02420	2.9
300.99799	15.9
301.03247	1.1
313.14435	1.3
316.02133	30.3
316.05533	2.0
317.02414	1.0
331.04465	100.0
331.07962	5.3
331.12698	2.8
332.04846	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0445
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.70642	0.2
58.50737	0.2
58.66214	0.2
67.05475	0.3
69.45920	1.5
71.04970	0.2
79.05476	0.3
81.07026	0.9
85.02885	0.4
91.05487	0.5
93.07018	0.8
95.04951	0.3
95.08607	0.2
98.21004	0.6
98.21542	0.2
98.98460	7.0
105.06984	0.3
107.08568	0.5
109.10100	0.4
115.05464	0.4
119.08601	0.3
120.49300	0.2
121.10148	0.3
123.11680	0.6
130.04137	0.3
131.04889	0.2
133.10107	0.8
137.05975	0.4
142.04149	0.2
143.04942	0.3
147.04417	0.4
151.07527	0.4
151.11194	0.7
159.04437	0.4
160.05188	0.3
171.04393	0.5
172.01515	0.3
173.02393	0.3
175.03897	0.4
176.98921	0.5
179.03374	1.0
185.05939	0.3
186.03168	0.3
187.03894	0.9
188.04659	1.0
189.01756	1.0
196.09958	0.7
197.02328	0.7
198.03127	0.3
199.03906	0.3
200.00970	0.4
203.03395	0.3
204.04196	0.7
211.04007	0.2
211.12305	0.9
213.05511	0.5
214.02632	1.2
215.03387	3.0
216.04108	1.7
217.01271	2.6
217.12344	0.3
224.09485	0.5
225.01833	3.5
225.10222	0.7
226.02654	0.5
226.10968	0.6
228.00496	2.2
229.01262	0.3
229.04950	0.3
231.02786	0.5
231.06464	1.0
232.03624	0.7
237.10202	0.5
238.10907	0.3
239.11771	11.9
240.12331	0.4
241.04922	0.8
242.02071	2.7
243.02835	0.7
244.03595	0.4
245.00816	3.5
252.08946	0.4
253.01424	0.4
254.10504	0.3
255.99910	0.3
257.00873	0.8
257.04407	2.4
260.03183	2.0
261.03806	0.3
266.10428	1.5
267.11267	19.2
268.11826	0.6
270.01526	0.4
271.02356	11.6
272.02942	0.7
273.00281	12.6
274.00574	0.4
275.05286	0.4
283.43488	0.2
283.99518	0.9
285.00250	0.8
285.12326	1.3
287.01913	0.4
287.05319	0.6
288.02579	0.7
295.10748	10.1
299.01855	5.0
300.02545	1.4
300.99768	38.4
302.00104	1.5
303.04892	0.4
313.11780	9.6
315.01495	0.3
316.02118	43.0
317.02423	2.7
331.04456	100.0
331.12796	30.3
332.04837	6.2
332.12985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02385	1.1
53.03933	2.6
55.01866	0.5
56.96579	0.3
57.03434	1.6
57.31595	0.4
61.02925	0.7
65.03930	0.4
67.05491	0.8
69.03048	0.5
69.03426	10.2
69.07091	0.4
70.03763	0.4
70.06590	0.7
70.90592	0.7
71.04989	1.0
73.02919	1.1
78.03452	13.3
80.05013	2.8
81.03418	17.3
81.07055	0.8
82.03751	0.6
85.02906	11.2
93.07128	0.6
96.04497	5.8
97.02895	5.4
98.98465	41.5
99.04456	4.0
100.98878	0.7
105.07024	0.5
106.02915	69.5
107.03271	0.9
109.02141	0.9
109.02878	11.7
110.09716	0.4
116.99493	2.0
119.06075	0.4
121.10098	0.6
122.06065	0.4
122.10464	0.5
123.04453	1.5
124.03951	100.0
125.04308	1.1
127.03928	8.5
135.04442	0.6
139.03915	1.5
145.04953	1.1
147.04431	0.6
150.05482	0.7
150.09164	0.9
154.03340	0.4
157.04996	0.4
162.05489	0.4
166.05020	1.4
167.03401	2.7
168.03749	2.8
168.06525	0.7
168.10234	1.2
174.99255	1.7
175.03859	0.8
175.99564	0.5
176.98949	3.1
179.03458	0.8
196.06007	0.9
202.04938	0.6
208.05957	1.1
232.06087	3.2
247.09633	0.4
250.07117	33.7
251.07452	1.1
268.08154	27.2
269.08392	0.6
271.06302	0.4
313.07016	0.5
330.12161	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	329.1595
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
50.20448	1.2
53.03946	2.2
54.17633	1.3
55.05501	1.7
57.03433	2.9
59.05011	1.6
62.22700	1.3
65.15715	1.4
67.05485	4.3
69.03429	11.8
69.07062	4.9
69.39330	3.0
69.39743	9.3
71.04980	7.0
75.04464	2.7
79.05491	11.4
81.03420	9.2
81.07055	23.4
83.04979	1.6
85.02903	10.9
90.39674	1.3
91.05491	8.7
93.07044	53.7
95.04961	4.2
95.08598	10.4
96.08895	1.8
97.02911	3.4
97.06518	5.0
98.98469	100.0
99.04450	3.8
105.07021	8.8
107.04967	2.7
107.08595	6.3
109.02868	5.5
109.06503	3.3
111.04463	1.7
111.08077	2.5
111.11753	1.8
116.99500	2.1
119.08572	11.7
121.10142	94.4
122.10491	1.9
123.11710	11.1
125.06013	9.3
125.09640	2.1
127.03893	5.8
130.10506	1.3
131.08574	3.8
139.11169	23.2
145.05003	1.8
147.07938	1.3
149.09621	23.4
159.11743	1.7
167.07036	1.4
167.10678	29.5
174.05449	1.4
174.99260	8.2
176.98920	4.0
185.11746	3.6
212.78093	1.4
231.25607	1.3
257.03879	1.6
259.48584	1.5
269.07947	1.7
293.13809	4.7
311.14838	3.0
323.37982	1.5
324.40195	1.5
329.16180	7.6
330.11020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1593
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
53.03941	4.0
55.01874	1.8
55.05502	1.9
57.02748	1.0
57.03427	3.2
59.05006	11.1
61.02913	1.4
65.03935	2.7
67.05502	9.0
67.49106	1.1
69.03426	15.6
69.07063	3.9
70.56145	3.6
71.04994	7.9
75.34021	1.1
79.05493	23.6
81.03419	21.1
81.07053	68.4
83.04961	1.6
85.02907	15.4
91.05486	7.7
93.03400	8.8
93.07041	50.2
95.04947	6.3
95.08594	10.2
97.02892	7.7
97.06520	5.4
98.98464	79.7
99.04460	7.5
99.25266	1.1
103.05427	1.7
105.07031	9.2
107.04948	4.1
107.08596	4.4
108.99522	1.0
109.02882	10.3
109.06532	1.6
109.10128	1.9
111.04438	7.0
111.11662	1.2
111.40511	1.1
113.15041	1.0
116.99520	2.2
119.08587	2.5
121.06515	3.1
121.10142	86.4
123.08046	1.9
123.11707	14.6
125.05999	7.8
125.09624	2.5
127.03919	7.5
131.08548	3.0
139.11180	20.9
145.04956	2.6
147.04459	1.3
149.09616	100.0
150.09966	2.6
167.03403	5.3
167.10686	38.1
167.12122	1.8
174.99237	8.4
176.98935	3.1
185.11725	5.5
188.21321	1.1
189.09154	1.2
231.29112	1.2
233.71170	1.3
237.07571	2.9
293.13834	17.2
311.14990	10.5
329.15948	13.5
330.10956	1.2
340.35931	1.1
352.90793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1592
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
53.03931	4.3
53.16771	0.9
55.01851	1.3
55.05502	2.4
55.38323	1.0
57.03426	1.5
59.04994	6.9
65.03938	3.5
67.05504	7.5
69.03085	1.5
69.03429	17.2
69.07060	2.5
71.04994	7.6
71.06348	2.0
73.02913	1.1
79.05494	20.4
81.03415	19.9
81.07052	63.5
82.07388	1.0
83.04969	3.4
85.02899	14.9
87.04479	1.0
91.05476	8.4
93.03400	8.9
93.07042	47.0
94.07352	1.1
95.04964	3.8
95.08606	9.0
97.02877	6.7
97.06493	3.3
98.98465	82.0
99.04449	4.8
105.07022	10.0
107.04939	4.5
107.08578	5.8
109.02874	10.0
109.06575	1.0
109.10152	1.2
111.04440	10.6
116.99473	2.5
118.53796	1.1
119.08529	3.1
119.46091	0.9
121.06479	2.8
121.10140	73.4
122.10458	1.3
123.04412	1.9
123.08042	1.3
123.11707	10.0
125.05988	7.9
125.09612	1.8
127.03903	9.7
131.08554	2.9
133.07654	1.1
137.05890	1.1
139.11172	12.2
145.05003	1.7
145.10185	1.2
149.09618	100.0
150.09926	1.9
151.03955	1.0
162.50601	1.0
167.03403	6.6
167.10663	35.1
174.99214	7.8
176.98901	3.3
177.05458	2.8
185.11684	3.5
213.87482	1.1
216.14659	0.9
237.07581	2.7
241.08542	1.8
250.99983	1.1
269.08118	1.1
293.13818	19.8
311.14880	8.2
329.10193	1.5
329.15988	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	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
52.73621	0.6
69.40088	3.4
69.40517	2.3
78.72653	0.7
98.20803	1.4
98.98453	2.9
99.20415	0.6
104.63239	0.6
105.56992	0.6
108.05726	1.6
109.02880	1.1
111.86934	0.6
135.04396	7.2
198.10468	0.6
206.03674	0.7
215.07011	2.4
227.07014	1.3
243.06528	13.2
256.03613	0.9
271.06015	25.8
272.06311	1.2
284.03195	0.8
284.06506	0.7
285.07547	6.9
286.08252	3.8
298.04718	2.2
299.05508	19.5
300.06039	1.0
313.07053	20.4
314.07828	90.5
315.08170	1.9
329.10184	100.0
330.10532	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	329.1016
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03773	0.3
53.04017	0.5
56.00126	0.3
70.46594	0.3
81.07143	0.4
91.05566	0.6
93.07108	0.4
95.05100	1.0
98.98615	25.8
105.02760	1.1
105.03541	10.8
109.02972	0.5
109.99289	0.3
116.99596	0.8
123.00889	0.6
125.02443	0.5
129.07147	0.4
131.05025	0.4
135.04402	6.8
137.02341	2.6
141.07108	0.4
153.01819	5.2
159.11780	0.3
161.05992	0.3
165.02000	0.4
169.06602	0.3
171.02950	0.5
174.99210	1.9
176.99065	0.9
181.01469	1.1
183.04549	0.5
197.06064	1.1
199.02467	0.6
213.05411	0.7
215.07086	2.0
217.08662	0.4
223.02579	0.5
225.05559	0.9
225.88579	0.3
228.04193	0.4
232.03641	0.4
232.69362	0.3
241.05022	0.9
242.05801	0.5
243.06503	2.7
245.08237	1.0
253.05020	0.7
254.05678	0.4
256.03741	0.5
269.04462	4.9
270.05185	3.1
271.06003	20.8
272.06464	0.7
281.04388	1.0
282.05130	0.5
283.05878	0.4
285.07541	4.9
295.06006	0.8
297.04364	0.4
297.07562	1.1
298.04776	1.7
299.05487	78.0
300.05853	2.9
301.07016	1.3
313.07028	3.8
314.07791	11.5
329.06461	18.7
329.10123	100.0
330.06845	0.7
330.10471	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	329.1015
Annotation	3-Hydroxy-5,7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
69.91793	1.0
79.19547	0.2
85.33813	0.2
91.05408	0.4
98.55423	0.2
98.98463	3.9
108.05649	0.8
111.01713	0.2
119.04898	0.7
121.06504	3.8
124.01514	0.8
128.19144	0.2
132.05696	1.5
133.06465	1.6
134.07266	7.2
135.04428	1.5
136.01459	0.4
139.00150	0.5
149.03177	0.2
151.00218	0.6
152.00967	0.9
153.01782	0.3
159.12746	0.2
166.99710	0.4
170.02065	0.3
174.99196	0.2
178.02521	0.3
179.03304	0.5
181.01260	0.5
194.35706	0.2
197.06044	0.4
198.01613	1.2
201.05235	0.3
225.05305	0.3
242.05722	2.2
243.06528	0.6
253.04814	0.4
254.05670	0.3
255.06514	0.3
256.07333	0.6
265.04858	0.4
268.07300	2.2
269.08005	0.5
270.05212	4.1
271.05920	1.8
282.05035	0.3
283.06073	0.8
284.06699	1.9
285.07541	30.4
286.08142	1.8
295.05939	0.9
296.06711	1.8
297.07523	6.9
298.04593	1.2
299.05496	1.6
300.06265	4.7
301.06818	0.3
311.05539	1.8
313.07031	39.7
314.07797	27.2
315.08170	0.6
329.10168	100.0
330.10464	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	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.96775	0.2
52.06399	0.1
52.60019	0.2
54.06367	0.2
68.99799	0.2
69.37840	1.5
78.04739	0.3
81.07049	0.3
84.28342	0.2
91.05488	0.4
95.08628	0.2
98.98466	21.7
105.07101	0.2
108.02118	0.2
108.05738	0.4
116.99508	0.6
119.04928	0.8
121.06504	3.6
121.10152	0.2
124.01575	0.9
132.05710	2.0
133.06508	1.3
134.07268	7.1
134.44640	0.1
135.04437	1.4
136.01537	0.3
139.00240	0.8
140.01085	0.2
142.31824	0.2
147.08075	0.2
151.00273	0.6
151.69667	0.2
152.01025	0.6
153.01814	0.2
159.04521	0.2
165.01874	0.4
166.99724	0.4
170.02106	0.4
174.99245	1.9
176.98969	0.6
179.37091	0.2
180.00510	0.3
181.01328	0.7
185.00858	0.3
197.00650	0.2
197.06056	0.3
198.01573	1.3
206.01997	0.2
225.05385	0.4
227.07018	0.3
238.06151	0.4
240.07890	0.2
242.05708	2.1
243.06416	0.3
252.99765	0.2
253.04874	0.6
254.05695	0.2
256.07333	1.0
265.04944	0.4
268.07208	1.5
269.08017	0.4
270.05228	4.0
271.05957	2.0
281.04352	0.3
282.05164	0.2
283.05954	0.6
283.24255	0.3
284.06754	2.1
285.07562	29.2
286.08191	1.7
295.05865	0.9
296.06815	1.7
297.07565	6.6
298.04645	1.8
298.08081	0.4
299.05481	2.1
300.06271	5.4
301.07001	0.4
311.05490	1.6
313.07050	40.6
314.07819	26.2
315.08148	0.7
329.10181	100.0
330.10532	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	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	0.5
57.03431	1.0
59.05001	7.5
61.02923	0.7
67.05498	2.1
69.03423	3.4
69.07068	1.4
69.86655	2.0
70.06566	0.4
71.04986	1.8
72.08100	0.4
73.02914	0.4
73.06556	19.4
79.05489	1.6
81.03426	3.0
81.07057	4.2
83.04984	0.7
85.02907	3.5
85.06541	0.6
86.09704	0.6
89.93234	0.4
91.05471	1.2
93.07061	2.3
93.88321	0.3
95.04961	1.2
95.08614	4.0
97.02867	2.0
97.06512	1.1
98.20831	0.4
98.98464	100.0
99.04463	1.0
100.98875	0.7
105.07046	0.8
107.04935	1.0
107.08606	0.7
109.02887	2.3
110.06036	0.7
110.09686	0.9
111.04404	0.6
116.99504	3.4
117.09121	1.5
119.04975	0.4
119.08533	0.5
120.08084	1.2
121.06557	0.7
121.09336	0.8
121.10146	10.1
123.04431	3.4
123.08047	0.6
123.11706	2.8
124.07565	0.9
125.05988	1.8
125.09638	0.9
126.09111	0.4
127.03950	2.2
129.77057	0.4
131.10683	1.7
135.04410	0.8
137.05994	0.8
138.05524	0.7
138.09137	11.8
139.03894	1.5
139.11192	3.4
140.01073	1.0
148.07567	1.7
149.05997	0.8
149.09648	1.1
149.11725	8.1
150.05473	0.5
151.03891	0.7
157.05019	0.6
157.14545	0.4
163.03932	0.9
165.07018	0.4
166.04976	0.6
166.08636	19.6
167.03416	5.8
167.09262	0.6
167.10689	3.7
168.06557	0.4
174.99223	8.0
175.99634	0.9
176.03436	0.5
176.98924	3.3
177.05452	0.4
178.04965	0.9
184.09650	2.9
185.04391	0.4
185.11769	1.6
197.79022	0.4
202.10773	0.6
208.93915	0.5
226.05612	0.5
251.00020	0.7
252.99843	1.0
285.08588	0.8
288.06238	0.7
301.03226	0.7
310.12900	0.6
328.08307	0.8
328.14124	1.0
328.99170	0.8
329.15887	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05513	12.4
55.09402	0.9
67.05511	4.6
67.05797	0.9
69.03419	1.2
69.07068	3.0
71.51538	1.3
79.05492	5.7
81.07051	5.0
83.04979	1.5
83.08621	6.9
87.93639	0.8
91.05465	2.2
93.07052	2.3
95.04975	0.9
95.08589	2.0
97.10164	18.2
98.98466	100.0
105.07032	2.1
107.08594	19.8
109.10181	1.7
111.08070	1.3
116.99530	4.0
117.06976	1.2
119.08588	1.5
121.10183	0.9
123.11749	0.9
125.09637	13.8
133.10141	3.2
135.08025	1.0
140.01109	0.9
143.10640	1.0
145.10153	2.8
147.11708	1.2
149.09583	1.5
159.11650	1.1
160.39151	0.9
161.13324	1.0
162.09697	1.0
170.15396	0.9
171.10219	0.8
174.99223	8.9
175.99562	1.6
176.98900	4.2
179.03416	2.1
189.11221	23.7
214.35269	0.9
230.95064	0.8
257.19034	2.0
261.78275	0.8
275.20059	16.9
285.03976	0.8
293.21191	1.0
328.05905	1.6
329.06604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97976	1.9
53.03931	3.8
55.05490	7.6
57.07065	4.0
58.79044	1.9
67.05181	2.1
67.05503	21.0
69.07069	11.7
70.76392	4.2
70.76727	2.1
73.30856	2.0
77.03921	2.0
78.85435	1.7
79.05489	15.1
81.03435	2.1
81.07063	23.2
83.08604	3.3
85.06538	2.3
91.05477	24.8
91.87144	1.9
93.07041	57.9
95.04959	41.6
95.08603	32.4
97.06518	9.9
98.98462	100.0
103.05452	2.6
105.07024	40.2
107.08597	21.6
109.06504	7.4
109.10147	12.9
111.08120	2.1
115.05442	4.3
117.07000	14.4
119.08580	39.5
121.06502	10.3
121.10128	20.7
123.08055	7.4
123.11697	5.3
128.06172	2.8
129.06973	8.2
131.08585	17.8
133.10120	26.4
135.04343	3.4
135.08031	7.2
135.11693	9.9
137.05991	4.1
137.09641	3.6
139.01538	2.1
142.07776	5.8
143.08546	16.6
144.09283	4.0
145.10092	22.7
147.08043	2.3
147.11743	8.9
149.09567	2.9
149.13162	3.8
153.06982	2.0
155.08530	5.0
156.09315	3.2
157.10123	22.0
158.10866	2.5
159.08029	2.6
159.11668	26.7
161.09598	7.5
161.13225	4.1
162.99954	1.7
163.11116	2.5
167.08574	3.0
169.10147	10.5
170.10849	2.4
171.11662	11.0
173.09641	2.6
173.13280	11.9
174.99210	11.0
175.14809	10.8
179.08479	3.1
181.10133	3.7
183.11699	6.3
185.13220	6.2
187.11113	4.0
187.14809	10.7
189.16331	3.7
190.62949	2.0
193.10146	2.1
197.13278	7.1
199.14854	7.0
201.16426	1.9
203.10649	2.3
207.11647	2.2
209.13281	9.0
211.14709	5.3
217.15584	2.6
221.13237	3.4
223.14804	4.3
225.16309	4.6
227.14198	2.3
229.15947	2.2
235.14780	3.0
239.18034	2.4
253.15910	2.8
265.19629	2.2
266.20343	1.8
275.90201	2.0
281.22653	3.9
291.21063	2.9
309.18640	2.1
309.22098	7.2
327.08014	4.3
327.23093	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	1.5
54.18679	0.6
55.01878	0.9
65.03947	1.5
67.05509	1.0
69.91581	2.5
70.90807	0.7
71.04989	2.2
73.67207	0.7
77.03933	1.9
78.04700	1.4
79.05498	6.5
81.03443	0.8
81.07056	2.7
85.06542	12.7
91.05486	16.5
92.06271	6.8
93.07056	3.4
95.04961	3.3
98.95779	0.8
98.98466	38.2
99.08097	14.2
103.05456	18.8
105.03394	1.3
105.07035	6.6
107.04955	41.8
108.05205	0.6
108.05751	6.3
109.06506	1.6
110.52715	0.7
115.05450	2.1
116.06231	7.2
116.99496	1.8
117.07016	20.5
119.04947	4.0
119.08580	2.2
121.06502	65.5
122.07285	100.0
123.04415	5.8
123.07600	1.4
129.07007	2.0
131.04926	70.0
131.08549	1.4
132.05681	1.7
133.06479	9.7
134.07294	2.3
135.04408	3.3
135.08051	14.6
136.08862	1.0
137.05969	10.3
144.05707	6.1
145.06480	3.9
145.10120	1.0
146.07251	15.4
147.08046	62.9
148.08829	52.4
148.10054	1.1
157.06328	1.1
157.10072	0.8
158.07256	3.8
159.06709	1.3
159.08057	24.9
160.08833	5.1
161.05930	1.1
161.09601	1.7
162.10393	1.0
163.07542	36.2
163.11165	9.9
164.07919	1.1
165.07036	0.9
172.08855	0.8
173.09627	9.0
174.99242	4.4
175.07552	1.1
175.11172	1.0
177.09111	1.3
181.06456	1.6
182.07394	1.2
183.08072	0.9
186.10411	0.7
187.11166	2.7
188.11992	4.5
191.10667	19.0
195.07942	0.9
197.05876	1.2
198.06750	0.8
199.07626	1.3
205.12241	1.0
206.13011	16.0
207.08151	0.9
207.10129	11.8
207.13329	0.8
209.06061	1.4
210.06793	2.1
211.07579	8.7
212.08151	2.0
213.05507	1.1
221.11729	1.7
224.08188	1.7
225.09050	1.7
227.06952	1.6
228.07774	1.3
229.08571	11.4
235.07466	1.5
236.08324	2.2
237.09102	5.9
238.09767	0.8
239.10631	0.9
241.08591	7.5
249.09106	2.5
252.07916	1.0
257.15277	0.9
263.70123	0.6
267.10153	4.7
277.12143	1.5
295.13504	1.0
296.14059	7.6
309.14822	7.6
327.15894	73.9
328.16245	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	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.45208	0.6
57.03410	0.8
61.91894	0.7
62.16693	0.7
64.25111	0.8
65.03957	0.8
67.05499	1.8
69.07064	1.1
69.41653	6.3
71.04980	2.0
77.01614	0.6
77.03924	0.7
79.05486	4.1
81.07052	2.5
85.06536	8.7
91.05473	9.8
92.06256	4.0
93.07029	2.6
95.04954	1.9
95.08597	0.9
98.98459	100.0
99.08087	8.5
103.05457	22.6
105.03383	1.9
105.07036	4.2
107.04948	36.3
108.05780	3.9
109.06552	0.9
115.05442	2.2
116.06200	3.7
116.99503	2.4
117.07011	15.5
119.04924	2.4
119.08585	2.0
121.06496	41.8
121.18076	0.7
122.07280	61.9
123.04435	4.9
123.07629	1.2
129.06966	1.3
130.58395	0.7
131.04919	70.6
131.08595	1.4
132.05592	2.3
133.06490	7.7
134.07280	1.9
135.04446	0.8
135.08025	9.0
136.08839	1.0
137.05981	8.4
140.01108	1.4
144.05675	4.8
145.06468	4.0
145.10063	0.8
146.07237	9.7
147.08035	39.8
147.11546	0.8
148.08826	36.6
149.06017	0.9
151.07668	0.8
157.06468	0.9
157.10071	0.9
158.07283	2.4
159.08047	15.5
160.08907	3.6
161.09598	1.8
163.07533	36.1
163.11176	5.5
164.07983	0.9
171.07954	1.0
173.06050	3.5
173.09602	5.4
174.99217	11.9
176.02867	0.8
177.08995	0.9
181.06512	0.9
182.07256	1.2
183.08046	1.2
186.10327	1.1
187.11176	1.0
188.11966	3.7
191.10646	16.8
201.09135	0.9
203.10698	1.3
206.12985	10.7
207.10179	10.8
210.06689	0.7
211.07489	6.5
221.11777	1.8
223.07584	1.1
224.08246	1.3
225.09119	1.9
227.07059	1.3
228.07739	0.9
229.08571	7.1
235.07513	1.2
236.08440	1.2
237.09138	4.3
241.08534	3.4
249.03944	0.9
251.10716	1.2
257.04532	1.5
267.05057	1.2
267.10205	3.9
277.12286	1.5
278.13171	1.1
285.04053	0.9
296.13992	6.2
309.14731	4.8
327.05243	1.4
327.08725	2.7
327.15875	57.7
328.16168	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	327.159
Annotation	Preracemosol B
Peak:m/z	Relative Intensity
51.76505	0.9
53.03933	1.8
55.01862	1.6
55.05507	1.4
63.58846	0.9
65.03940	2.2
67.05503	4.6
69.07053	1.0
70.23092	2.1
70.23495	2.3
77.01595	1.1
77.03928	0.9
79.05483	6.4
81.07042	4.5
85.29626	0.8
91.05479	7.8
93.07027	2.4
94.37592	0.8
95.04965	7.7
95.08607	1.5
98.98467	100.0
103.05473	34.8
103.06154	1.7
105.03386	1.7
105.07031	6.2
107.04956	21.9
107.08553	2.0
109.02847	2.0
109.06498	4.5
109.10154	1.3
111.04417	2.2
115.05451	3.9
116.99480	3.3
117.07024	10.9
119.04942	5.0
119.08588	2.1
121.02795	1.1
121.06491	5.3
122.07339	2.2
123.04426	75.0
124.04963	0.9
125.05988	1.1
128.06206	2.3
129.07008	4.3
131.04927	35.2
131.08546	3.6
133.06487	9.7
135.04413	5.5
135.08015	1.0
136.05174	3.2
137.05983	37.1
138.03110	1.9
138.06348	1.0
140.01088	1.1
141.06966	2.9
142.07765	1.6
143.04910	1.5
143.08577	2.6
144.05679	1.5
145.05421	1.3
145.06480	14.5
145.10086	1.3
147.04410	2.4
147.08054	6.5
149.05956	6.2
150.06737	0.8
150.35196	0.9
151.03917	1.5
151.07547	1.7
153.05461	10.9
153.06702	1.5
155.08626	1.1
157.06490	5.0
157.10117	4.0
159.08063	3.7
161.05957	2.9
162.06688	1.5
163.07541	89.5
164.07890	2.2
165.07019	1.8
165.09117	3.1
169.06516	1.4
170.07236	1.1
171.08011	3.7
173.09602	2.1
174.99220	11.8
175.07541	3.7
175.11162	1.7
176.08319	2.1
177.09102	16.4
179.07112	4.9
179.08490	1.7
181.06435	1.2
183.08168	1.5
185.05983	1.5
185.09621	3.9
187.07536	1.1
187.11110	1.3
189.09100	2.3
191.10667	2.2
192.00381	1.0
197.05959	3.3
199.07483	1.4
201.88057	0.9
203.10672	17.4
207.08038	2.0
207.23219	0.9
211.07550	3.3
213.05534	1.7
217.10202	2.0
217.12227	21.5
218.12653	1.2
221.09642	1.6
225.05469	2.5
225.09058	2.3
227.07051	3.1
229.08528	1.1
235.07535	1.3
239.07111	4.8
242.05647	1.4
243.06494	1.5
245.08060	6.3
249.09102	1.7
249.12732	2.3
251.00050	1.9
253.08672	4.4
257.08026	10.7
259.09644	1.2
267.10217	1.5
267.13727	3.7
271.09680	2.8
277.12170	4.7
281.15271	3.2
285.11313	3.4
295.13330	6.9
309.14896	6.0
327.05032	1.9
327.15894	35.4
327.19147	1.5
328.16406	2.2
348.30249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0498
Annotation	1,11-Dihydroxy-9,10-methylenedioxy-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
50.68707	0.2
53.49865	0.2
55.05494	0.3
55.88831	0.2
56.91095	0.2
65.03924	0.3
67.05476	0.7
68.99766	0.3
69.03406	0.3
69.53756	1.4
71.04977	0.2
79.05481	0.5
81.07038	0.7
85.02890	0.4
87.98150	0.2
90.49211	0.2
91.05452	0.6
93.07029	0.5
95.04964	0.4
95.08614	0.6
97.06567	0.2
98.98466	15.7
100.11271	0.3
105.07044	0.5
106.32539	0.3
107.04947	0.7
107.08581	0.4
109.06550	0.3
109.10143	0.8
116.99448	0.5
119.04949	0.2
119.08588	0.5
121.02890	1.2
121.06467	0.4
121.10155	0.4
123.04467	0.3
123.08063	0.5
131.04939	0.5
131.87181	0.2
132.15686	0.2
137.05986	0.6
139.05545	0.3
141.06963	0.8
145.02863	0.4
147.04430	0.4
147.08121	0.3
147.11646	0.5
149.05969	0.3
151.03935	0.4
152.06198	2.2
153.01807	0.3
153.07007	5.3
155.04907	0.7
157.06453	0.4
160.05273	0.2
163.04080	0.4
163.05359	1.9
163.07527	0.5
165.06993	0.5
165.09120	0.9
169.06479	1.7
171.08083	0.6
171.64987	0.3
173.02344	0.7
174.99190	1.9
181.06479	12.8
182.15373	0.4
183.04424	0.5
184.85564	0.2
185.06001	0.5
191.03493	0.2
191.04958	2.0
195.04443	0.4
197.05983	5.8
198.06430	0.3
199.07564	0.5
207.04424	1.0
208.05186	0.4
209.05984	10.7
211.03865	0.4
213.05392	0.6
215.07153	0.3
219.04428	0.7
225.05467	8.0
226.05963	0.4
227.07005	1.0
229.05037	0.7
235.03839	1.2
236.04601	0.3
237.05463	32.6
238.05876	1.0
239.03397	0.5
243.06505	0.5
249.09109	0.3
251.00201	0.3
251.03362	0.3
253.04965	8.1
254.05539	0.3
255.06548	4.4
257.04532	1.5
263.03387	1.0
265.04959	26.7
266.05658	2.7
269.04578	0.4
271.06046	0.8
280.03659	7.2
281.04440	16.4
282.05029	0.8
283.06015	0.8
291.02924	0.6
299.05478	0.9
309.03925	15.1
310.04407	0.9
327.04977	100.0
328.05350	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	326.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63122	0.9
56.96557	1.1
70.02972	1.1
71.49910	1.1
72.85683	0.9
77.00829	0.9
96.27866	0.9
97.02888	9.1
98.97639	2.8
98.98468	17.3
100.82484	1.0
101.00879	2.8
113.03483	9.0
116.98630	2.1
119.01922	21.2
119.02731	1.6
120.02065	3.0
121.01678	2.8
134.99753	1.8
137.02975	8.4
139.02647	2.0
142.03539	3.8
158.99889	1.5
159.06265	1.2
160.04643	1.8
174.99188	1.8
177.00960	18.2
178.01065	6.6
179.00740	4.0
181.00520	2.0
183.06165	2.9
184.06357	2.0
201.01045	2.0
201.07281	2.9
202.07280	2.1
217.04135	2.6
217.99097	1.9
218.03760	1.9
219.01991	24.3
219.03951	2.1
220.02126	10.6
221.01782	9.5
222.01965	2.4
223.01472	9.0
224.98738	1.0
225.00887	1.6
232.87546	1.0
234.99973	2.5
235.96274	1.3
236.00140	10.9
236.52927	1.1
236.99907	2.2
238.95723	1.3
241.99158	3.3
242.03679	1.7
242.98834	1.5
243.02089	5.8
244.01926	2.0
246.03236	1.2
254.01141	2.2
255.00899	1.0
256.96552	9.7
257.96771	3.7
258.96359	7.2
259.00024	2.8
260.00113	19.3
260.04419	1.4
261.00076	5.4
261.03033	96.1
262.03183	27.2
263.03009	5.1
265.98932	1.5
274.94742	1.2
274.97800	3.8
275.93982	1.1
276.92111	2.1
276.97510	2.9
277.01050	3.9
277.95071	1.1
278.01105	18.1
279.00787	5.3
279.98145	1.1
282.99973	6.8
284.00110	47.0
284.04684	4.6
284.07001	1.7
284.99808	15.4
285.04630	2.6
294.93182	2.0
299.27747	1.4
299.94141	1.1
301.01059	14.1
302.01154	100.0
302.97266	6.4
303.00900	26.3
303.04956	3.4
304.01364	1.5
308.98288	1.7
311.46060	9.7
311.96008	9.8
312.45923	3.1
312.95810	1.2
314.95798	1.4
316.95468	1.8
317.93350	5.7
318.43597	2.6
318.93265	3.8
320.02103	5.8
320.46710	3.1
320.93335	1.9
320.96524	3.7
321.02219	2.7
322.96924	1.4
323.47141	1.4
325.02747	4.0
326.01367	4.2
329.44220	2.8
329.94156	2.8
330.44052	2.7
330.93515	1.6
344.02255	25.4
345.01941	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	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.01680	2.9
55.01878	30.4
55.05504	29.6
56.96560	6.1
57.03431	25.2
67.05499	65.3
69.03419	4.0
69.07062	25.5
69.74317	20.7
71.01356	3.2
71.04969	6.7
78.86549	3.2
79.05495	58.5
81.03419	17.2
81.07050	66.2
83.04975	31.5
83.08606	6.3
84.02126	3.8
85.06541	6.2
91.05478	72.4
93.07050	49.6
95.04967	61.4
95.08596	36.0
96.05782	3.0
97.02890	5.9
97.06535	9.2
97.10194	5.5
97.32527	3.3
98.07321	7.9
103.05457	5.3
105.07032	50.4
107.04220	5.1
107.04955	100.0
107.08578	24.8
108.05758	3.8
109.06513	31.4
109.10146	13.9
111.04459	6.4
112.05186	7.0
112.98377	3.6
113.06062	4.5
115.05462	5.7
117.07016	22.8
119.04939	5.8
119.08585	32.4
120.05759	3.6
121.06510	18.8
121.10137	13.5
122.07281	27.1
123.04431	8.9
123.08094	8.4
125.09591	3.4
128.06216	10.3
129.07021	10.1
131.04918	6.0
131.08571	37.2
133.06490	23.1
133.10133	11.7
135.04425	8.8
135.08023	17.6
135.11705	6.8
137.05937	5.2
137.09607	14.8
141.06984	8.0
142.07779	4.9
143.08536	15.4
145.06500	20.3
145.10103	22.6
147.08038	28.7
147.11682	7.8
149.09612	6.1
151.07526	6.7
151.11263	4.3
155.08620	3.8
156.09192	3.4
157.10222	7.9
159.08067	4.7
159.11725	12.0
161.06020	4.8
161.09610	21.7
161.13232	4.9
162.10352	4.5
163.07559	5.9
163.11209	9.6
165.09105	7.9
169.10117	5.1
171.11708	8.5
173.13280	12.2
175.11198	9.4
187.11243	5.0
187.14870	11.8
189.12749	5.5
197.13216	8.1
201.83456	3.3
203.10597	6.9
205.15874	8.1
215.14316	12.8
233.15347	89.3
240.37094	3.2
251.16408	16.0
254.97820	3.4
273.18408	3.7
290.18753	8.1
325.14432	7.7
325.21381	6.4
325.25146	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	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.01860	0.8
56.96564	2.1
57.03422	0.7
59.43745	0.4
61.02924	0.8
67.05486	0.8
68.48151	0.3
69.03429	3.5
69.72901	1.8
69.73302	0.6
71.04962	0.8
73.02905	0.9
79.05476	0.5
81.03409	1.4
83.04955	0.6
85.02908	5.6
85.68968	0.4
87.04481	0.6
91.05486	1.3
95.04947	0.5
97.02888	2.5
98.97572	2.1
99.04447	0.5
103.05460	1.2
107.04963	0.7
109.02856	0.7
116.98615	1.4
118.06546	3.6
119.01930	1.0
119.04926	0.4
123.04435	1.0
126.46817	0.4
127.03925	1.6
127.34698	0.4
128.06226	0.5
128.98611	0.7
131.04909	0.6
133.07593	4.4
134.99651	0.7
135.04434	2.3
137.05959	1.0
143.08484	1.0
145.07608	100.0
146.06020	1.0
146.08435	2.5
146.99615	1.1
147.04390	1.1
147.09245	0.7
149.05992	0.7
152.05629	0.7
153.01843	2.4
158.99535	0.5
161.05959	0.6
162.05466	0.7
163.03923	0.9
163.05040	6.9
163.08669	58.1
164.06990	0.4
164.09116	0.5
171.04922	0.5
171.08084	1.3
171.97572	0.4
173.03006	0.5
177.00822	0.8
188.08299	1.4
193.00197	0.5
193.08330	1.5
203.10730	1.4
208.04936	0.4
219.01646	0.5
236.08673	0.4
237.02863	0.9
244.09032	0.4
245.31607	0.4
261.02921	0.4
274.60876	0.5
289.26599	0.5
302.02142	0.4
321.03870	0.4
325.13943	74.3
326.14093	1.4
349.42004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.36632	0.5
53.03934	1.6
54.91361	0.5
55.01873	1.1
57.03446	4.8
61.02940	3.2
69.03430	10.2
69.47569	0.5
70.95847	1.6
71.01345	1.8
71.05003	2.5
73.02912	1.4
75.04485	1.0
79.05479	1.7
81.03417	2.5
85.02899	2.2
89.03916	1.8
91.05499	2.7
93.07058	0.6
95.04983	0.8
97.02888	1.3
99.04442	2.8
100.87170	0.6
105.07037	0.8
109.02892	1.0
117.03371	2.2
117.06966	0.6
118.06559	2.0
120.08082	0.6
121.02853	0.9
121.06508	0.9
124.07640	0.7
127.03911	1.3
127.98791	0.5
132.06841	1.8
132.08057	0.7
135.04413	5.1
137.05983	1.1
145.02875	2.3
145.06532	1.0
145.07585	7.2
145.08655	0.8
146.08420	0.6
147.09174	92.9
148.09465	1.3
149.05989	0.6
152.07144	0.7
159.09186	3.1
160.10007	0.8
161.10757	0.6
163.03899	18.5
163.07503	0.9
163.08669	0.6
171.07970	0.6
173.07222	1.0
173.10693	0.6
181.04973	1.4
185.10803	0.7
188.08339	0.9
191.08157	100.0
192.08522	1.4
197.69005	0.5
213.05399	1.3
219.11478	0.7
241.04916	0.9
245.09343	0.6
251.03392	0.9
263.13931	3.0
269.04547	1.1
281.14963	44.5
282.15411	0.5
289.11478	0.8
297.04089	3.0
307.08127	1.4
307.12860	8.9
325.03519	3.5
325.13937	69.1
326.14258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72059	2.0
53.03926	2.9
55.01864	9.2
55.05488	2.2
56.96555	17.0
57.03434	15.8
61.02926	23.3
69.03429	50.1
69.53271	3.3
69.53678	14.3
71.04988	5.2
73.02925	13.9
79.88517	2.3
81.03424	10.9
83.01318	2.9
84.08134	3.1
85.02907	100.0
86.03228	3.3
87.04443	6.1
91.02370	3.0
97.02306	4.2
97.02891	48.0
98.18398	2.4
98.97047	2.5
98.97589	15.1
99.04449	12.0
101.00874	4.1
101.02372	4.1
103.05444	2.8
107.04947	3.0
109.02866	9.4
110.01295	2.6
110.97599	3.2
115.03907	3.0
116.98630	7.2
118.02799	3.9
119.01874	20.3
121.01675	4.3
127.03909	49.3
128.02328	7.5
128.98608	4.6
131.01915	4.6
131.04897	2.4
133.03442	6.0
134.99614	3.3
135.03149	3.2
135.04356	4.7
137.02890	2.4
140.02368	2.5
143.00053	3.1
143.01787	3.8
145.01689	10.5
145.03453	6.0
145.04956	23.2
145.07588	26.9
146.99628	3.9
149.01196	4.0
152.02325	3.3
153.01843	3.5
153.55901	3.0
154.03793	10.4
154.04863	21.7
157.01520	3.0
158.99692	6.0
161.02921	8.0
162.56425	2.6
163.02718	16.0
163.04350	46.8
163.05617	4.5
163.07399	3.8
163.08678	19.8
169.02554	3.2
170.99757	2.9
173.02979	5.8
174.55145	6.6
175.02534	2.6
177.00690	4.1
181.03893	5.2
181.05478	5.2
182.03242	3.3
183.39029	2.5
188.08321	2.7
189.00742	6.3
200.04387	3.1
205.03790	6.6
205.05586	12.1
206.05742	2.4
206.51289	2.3
207.01746	2.4
213.03398	12.5
213.53545	2.6
217.05605	9.1
219.01790	7.9
219.07086	3.7
226.05975	3.2
235.04536	3.8
235.06523	34.3
235.56514	5.5
237.02757	6.8
244.05081	2.6
244.07104	20.7
244.57410	3.2
245.04982	4.6
247.06819	3.3
262.52844	2.3
292.13275	2.4
307.08939	30.5
308.08734	4.5
325.07712	11.2
325.13943	22.1
337.71210	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02204	1.8
55.01863	10.6
56.96534	2.8
57.03424	10.9
57.69033	1.8
61.02922	13.8
69.03423	42.3
69.27255	17.6
73.02898	8.1
81.03399	6.1
84.43340	1.7
85.02898	100.0
87.04446	3.1
91.03931	2.4
97.02882	31.8
98.20614	1.7
98.97565	1.9
99.04467	9.2
101.02345	5.0
103.05438	2.6
105.06997	2.3
107.04953	2.0
109.02864	7.2
115.03969	3.5
119.01866	5.2
122.12621	1.8
127.03909	66.9
135.04408	7.8
143.08545	2.4
145.04956	38.0
145.06093	3.4
145.06491	1.6
145.07509	3.1
149.05957	3.0
154.04735	10.5
155.01788	2.6
161.06023	2.1
163.03934	3.8
163.05258	8.4
163.55357	2.1
175.02673	2.3
184.01445	2.0
184.45232	2.2
188.08310	3.1
200.04425	2.2
203.10616	4.0
205.05659	5.0
213.03397	4.0
217.05489	2.6
235.07321	6.0
244.07568	2.3
307.08746	14.9
325.14001	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.21925	0.2
53.03944	1.3
55.01864	0.2
55.05500	0.4
57.03440	0.5
61.02887	0.3
61.85811	0.2
63.02361	0.3
67.05473	0.3
69.03429	4.0
69.07047	0.4
70.03734	0.3
71.04971	0.4
71.08776	0.5
73.02926	0.3
79.05491	1.8
81.03413	8.1
81.07049	1.0
85.02902	4.8
89.03914	7.5
91.05465	0.5
93.07025	0.6
95.04959	0.3
95.08587	0.5
97.02879	1.5
99.04440	1.1
100.07571	0.3
105.07022	0.5
107.04950	4.5
107.08583	1.1
109.02880	2.9
109.10144	0.7
112.22585	0.2
117.03377	9.8
119.08551	0.4
127.03909	1.6
127.23604	0.2
131.04884	0.3
135.04407	20.9
135.08032	0.5
136.04704	0.4
137.05974	0.4
145.02844	13.4
145.03990	0.7
145.06526	0.3
145.10097	0.3
146.03194	0.4
147.04350	0.3
147.11725	0.3
163.03894	100.0
164.04231	2.6
177.05351	0.3
181.04997	1.6
182.56219	0.3
188.08351	0.3
201.05496	0.3
213.05434	0.3
229.44685	0.2
307.08115	6.4
325.09409	1.3
325.14172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.55031	0.3
55.01876	0.4
57.03428	0.7
58.57999	0.3
61.02908	0.4
63.02381	0.5
67.05502	0.8
69.03429	5.3
69.07055	1.0
71.04983	0.5
71.52235	0.3
73.02897	0.5
79.05492	2.2
81.03416	11.9
81.07033	2.0
83.04983	0.4
85.02899	5.5
85.06539	0.5
89.03912	5.9
91.05479	1.3
93.07031	1.6
95.04960	0.8
95.08595	1.1
97.02884	1.5
97.06522	0.5
99.04440	1.5
103.05463	0.6
105.07020	0.9
107.04951	4.0
107.08611	2.2
109.02869	4.8
109.10139	0.6
115.05450	0.6
117.03368	8.4
117.07040	0.4
119.04915	0.5
119.07684	0.3
119.08503	0.8
121.02996	0.4
121.06483	0.7
121.10141	0.9
123.04427	0.6
123.11712	0.4
125.05930	0.3
127.03934	1.8
131.04884	0.5
131.08530	0.7
133.10100	0.4
135.04410	19.0
135.08047	0.9
135.11684	0.8
136.04703	0.3
137.05972	0.6
138.27406	0.3
143.08553	0.4
145.02838	11.2
145.03992	0.6
146.07288	0.4
147.04448	0.5
147.11679	0.4
149.06003	0.4
163.03894	100.0
163.07523	5.5
164.04228	2.8
165.07080	0.4
171.11653	0.4
173.05954	0.6
180.03995	0.3
181.04932	2.3
195.08104	0.4
241.04726	0.4
283.09607	0.3
297.04135	0.4
307.04742	0.6
307.08124	11.1
308.08588	0.5
325.03445	0.6
325.09821	0.7
325.14172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.56725	0.3
53.03940	1.7
55.01868	0.7
55.05500	0.8
57.03416	1.0
63.02364	0.3
63.65203	0.3
65.03925	0.4
67.05495	0.5
69.03431	4.7
69.07064	0.4
70.65372	1.2
71.04974	0.8
72.00443	0.3
73.02903	0.4
79.05492	2.8
81.03416	9.0
81.07033	1.2
85.02899	4.8
85.06557	0.5
89.03912	6.5
91.05458	1.6
93.07014	0.9
95.04929	1.2
95.08611	1.1
97.02884	1.9
97.06483	0.5
99.04420	1.1
102.23434	0.3
103.05491	0.7
105.07025	1.2
107.04948	10.0
107.08579	2.2
109.02876	3.7
109.06556	0.5
109.10170	0.5
115.05492	0.5
117.03371	9.4
117.06998	0.8
119.04900	0.7
119.08543	0.6
121.02879	0.3
121.06491	1.2
121.10152	0.9
123.04413	3.8
123.11778	0.4
127.03914	1.1
129.07047	0.5
131.04900	1.4
133.06467	1.2
133.10147	0.6
135.04405	19.8
135.08025	0.9
135.11652	0.6
137.05975	2.6
145.02837	13.7
145.06471	0.6
146.07256	0.8
147.04398	1.1
147.08031	0.8
147.11696	0.4
149.05939	0.8
151.07469	0.5
153.06950	0.6
154.93477	0.3
157.06494	1.1
159.08028	0.4
159.11641	0.3
161.05988	0.7
163.03893	100.0
163.07498	3.1
164.04231	2.7
169.88092	0.3
171.08044	0.4
173.05946	0.4
175.03893	0.4
175.07570	0.6
179.03333	0.4
181.04944	2.7
181.06465	0.9
186.05461	0.5
187.07536	0.6
188.08313	0.5
191.03441	0.4
192.30452	0.3
203.10654	0.7
219.08049	0.4
241.08475	0.5
247.07628	0.6
247.11137	0.5
267.10110	0.9
275.10730	0.8
276.11575	0.3
279.06564	0.5
279.10193	0.4
297.03876	1.0
297.07639	0.9
297.14780	0.5
302.08313	0.4
307.08246	8.0
307.13190	3.9
325.03320	1.1
325.07086	2.5
325.10233	1.1
325.13922	2.2
326.07465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03930	1.0
54.08562	0.3
55.01868	0.7
55.05505	0.3
57.03425	0.7
61.02906	0.9
67.05492	0.6
67.06577	0.3
69.03093	0.4
69.03432	5.2
69.07071	0.3
71.04980	0.8
71.49780	0.4
71.50179	0.3
73.02898	0.5
79.05489	1.9
81.03420	10.2
81.07025	0.5
83.04976	0.7
84.04505	2.3
85.02898	4.7
89.03920	6.4
90.04253	0.3
91.05469	1.0
94.69596	0.3
95.04940	0.7
95.06090	0.7
95.08578	0.5
96.04478	0.4
97.02908	2.0
99.04474	1.6
103.05452	0.5
105.03387	0.9
107.04955	2.8
107.08571	0.4
109.02884	4.3
109.10150	0.3
115.05458	0.9
117.03382	8.8
117.07008	0.6
119.04938	0.5
119.08574	0.5
122.06036	0.4
123.04427	1.1
123.05489	0.3
126.05511	3.4
127.03082	0.3
127.03880	1.7
129.06999	0.3
135.04411	20.8
135.08012	0.6
136.04729	0.5
137.05978	0.5
139.03854	0.6
145.02844	13.5
145.03909	0.5
145.06503	0.9
146.06120	0.3
146.07204	0.4
147.04428	0.4
147.08076	0.8
149.05994	0.5
151.03989	0.4
151.11140	0.4
155.87756	0.3
161.05998	0.8
163.03900	100.0
164.04251	2.4
171.07991	0.6
173.05956	1.1
175.03912	0.4
175.07544	0.9
175.15906	0.3
177.05461	1.0
177.64482	0.3
181.04968	2.9
188.08289	0.4
203.10713	0.5
204.08691	0.7
205.08559	1.0
207.10136	0.4
213.05461	0.4
225.12561	0.3
233.08101	0.5
235.09662	1.2
265.10883	0.5
289.10602	0.4
297.03986	0.5
307.08182	8.4
307.11633	0.5
307.16547	1.0
325.03354	0.8
325.09271	1.8
325.13745	0.6
325.17899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01861	1.0
55.05502	0.6
56.96560	0.9
57.03430	1.2
61.02934	0.3
67.05505	2.0
69.03425	4.9
69.07050	1.0
70.73418	0.6
71.04973	1.1
73.02916	0.7
76.53510	0.3
79.05489	4.2
81.03417	10.2
81.07067	2.5
83.04973	0.4
83.08602	0.4
85.02905	6.1
85.06544	0.5
89.03912	6.7
91.05475	2.7
93.07038	2.6
95.04961	1.2
95.08612	1.4
97.02888	1.8
97.06519	1.3
99.04440	1.5
103.05446	0.8
105.07030	2.6
107.04959	5.3
107.08589	6.7
109.02886	5.0
109.06506	0.8
109.10158	2.5
111.04420	0.4
111.05547	0.5
111.08100	0.4
115.05438	0.6
117.03381	9.5
117.07020	1.2
119.04918	0.4
119.08575	1.3
121.02858	0.9
121.06504	1.0
121.10143	2.0
123.04453	1.5
123.08110	0.4
123.11736	0.7
125.05971	0.3
127.03928	2.0
131.04932	1.2
133.06517	0.5
133.10149	0.7
134.07169	0.3
135.04414	22.3
135.08029	3.4
135.11685	1.3
137.05984	2.0
139.03885	0.4
141.07028	0.4
143.08569	1.0
145.02841	13.6
145.06488	0.6
145.10091	1.0
146.03157	0.4
146.07234	0.5
147.04424	0.6
147.08052	0.4
147.11615	0.4
149.05992	0.6
151.07474	0.7
153.09109	0.7
157.06361	0.7
159.08060	0.5
159.11644	0.3
161.05960	0.7
161.13298	0.3
163.03897	100.0
163.07518	7.0
163.11139	2.2
164.04196	2.8
171.08066	0.4
171.11639	0.4
175.03931	0.4
175.07523	0.4
177.09143	0.4
179.03453	0.3
181.04993	2.5
181.08560	0.8
187.07562	0.4
191.10681	0.7
199.09636	0.5
201.09138	0.6
203.10605	0.7
205.08473	0.4
213.05453	0.8
226.60542	0.3
241.04964	0.8
242.05974	0.4
253.04799	0.3
265.07108	0.4
269.04352	0.8
273.22702	0.3
279.06662	0.5
279.10223	0.3
280.03604	0.8
281.08252	0.5
283.08749	1.0
293.08142	0.5
297.04083	1.7
297.07010	0.4
301.09479	0.7
303.78189	0.3
307.08130	6.4
307.11194	0.3
308.03262	0.3
325.03931	2.0
325.06686	0.6
325.09537	1.3
325.14139	1.2
326.04068	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	324.1074
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	1.4
57.03424	4.0
59.04991	0.5
61.02926	5.2
63.26997	0.4
65.03922	0.7
67.05515	0.9
69.03423	15.0
70.06574	0.5
71.01302	0.4
71.04985	1.4
71.51470	0.5
72.79524	0.4
73.02911	2.9
74.43761	0.4
79.05484	0.8
81.03415	8.6
81.07092	0.5
82.06587	0.8
84.08224	0.5
85.02898	31.2
86.03228	0.5
87.04463	1.6
88.52272	0.5
89.03899	2.7
91.03972	1.1
91.05475	8.3
95.04950	0.7
97.02896	7.2
99.04482	2.3
103.03934	6.1
103.05446	0.9
105.07020	0.9
107.04946	0.6
107.95267	0.5
109.02865	3.9
109.10123	0.9
115.05456	5.7
116.04968	4.3
117.03365	2.1
117.05739	4.6
117.07009	0.7
118.06532	74.3
119.06898	1.3
121.02853	0.5
127.03900	6.8
127.11205	0.5
130.06519	18.5
131.04961	0.8
131.07260	1.5
132.08083	13.1
132.09036	0.9
133.06488	0.6
134.06001	1.8
135.04428	5.1
136.07576	0.6
137.05986	1.1
142.06506	3.5
144.04434	21.2
145.02838	4.7
145.04904	2.7
145.06519	0.9
145.07579	0.8
146.06026	0.8
147.09131	2.4
148.07530	0.5
149.05971	1.4
152.10747	0.7
154.06494	0.9
156.03569	0.5
156.08090	1.0
158.06007	3.0
160.07570	18.5
162.05493	100.0
163.03889	19.8
163.05913	2.0
163.07437	1.0
168.08101	0.6
172.03973	0.5
174.05499	4.8
177.05478	4.5
181.04912	0.8
184.07616	1.7
186.05499	10.2
190.05008	1.1
191.08163	4.6
204.06546	28.4
205.06824	0.5
205.36694	0.5
228.06490	0.9
244.09560	0.6
262.10672	0.8
270.07587	0.9
281.14618	0.6
281.70590	0.5
288.08707	2.9
297.03958	0.9
306.09637	3.8
307.08252	1.8
307.12918	1.6
324.12830	0.9
325.03076	0.9
325.13873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
51.68279	3.0
55.01866	3.3
55.05506	30.9
57.03423	3.9
57.07062	10.2
59.04979	6.8
67.05494	35.5
69.03420	14.5
69.07063	51.4
70.70198	2.8
71.04984	14.7
71.52144	3.9
79.05495	20.4
81.03410	5.6
81.07049	84.1
83.04975	11.0
83.08629	16.2
85.06535	11.9
91.05475	23.3
93.07040	50.8
95.04965	5.7
95.08600	100.0
97.06498	16.4
97.10150	14.8
99.08100	10.0
105.07023	60.0
107.04955	3.5
107.07409	3.4
107.08584	78.4
109.02900	4.4
109.06512	7.0
109.10150	73.7
111.08086	10.1
111.11724	3.7
113.06001	4.0
115.07571	12.0
117.07024	5.3
119.08581	49.2
121.10128	64.5
123.04417	4.6
123.08046	8.3
123.11688	35.8
125.09667	7.7
127.07491	4.9
129.06987	4.9
129.09126	5.3
131.08578	14.0
133.06470	4.8
133.10103	45.3
135.04417	6.6
135.08095	3.7
135.11664	51.3
137.05959	10.4
137.13225	17.2
139.11156	9.0
143.08536	11.1
143.33960	3.5
145.06477	5.0
145.10141	18.6
147.04413	3.6
147.11685	41.6
149.05957	13.2
149.09666	5.9
149.13257	28.7
151.07457	4.4
151.11203	4.1
155.10646	4.1
157.10129	10.9
159.11711	17.1
161.06006	5.6
161.09680	5.9
161.13229	29.2
163.11154	5.1
163.14839	14.1
165.12740	6.9
167.10637	4.3
171.11736	8.8
173.06003	6.6
173.13268	13.6
175.14833	22.8
177.16405	8.1
179.14288	13.1
185.05867	3.1
185.11740	12.5
185.13220	7.7
187.14809	14.8
189.16377	82.8
190.17113	8.8
191.14317	5.6
191.17963	22.4
199.14824	12.1
201.16367	10.8
202.07712	3.5
203.17958	32.5
205.15974	3.3
205.19415	3.8
207.17438	3.9
213.16391	15.1
215.17845	5.2
217.15932	6.2
217.19397	16.4
227.17995	11.9
229.19572	7.9
241.16129	3.5
245.22643	6.1
257.22635	6.0
259.24246	5.1
269.22620	27.4
275.23737	6.1
287.23645	39.5
291.10120	4.6
305.24689	55.9
323.09082	11.5
323.12744	17.3
323.25897	37.7
324.18262	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	323.2578
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
50.04372	1.7
50.53378	1.5
55.01871	1.6
55.05511	16.0
57.03437	2.9
57.07061	8.9
57.13546	1.4
59.05015	1.9
60.59164	1.4
61.02930	3.2
65.03946	1.4
65.40222	1.4
66.10440	1.4
67.05507	17.8
69.03428	4.4
69.07066	28.0
69.49379	11.4
71.04997	6.2
71.08641	2.1
73.06570	1.5
75.87143	1.5
79.05498	15.1
81.07051	53.5
83.04979	5.9
83.08626	10.4
85.06523	4.1
91.05462	12.9
93.07035	31.0
95.04951	3.7
95.08601	62.8
96.08933	1.8
96.57738	1.4
97.06533	10.1
97.10176	6.0
99.08100	4.3
105.07027	33.4
107.08589	47.0
108.08932	1.9
109.06516	3.4
109.10154	42.8
111.08079	4.8
115.07549	8.6
117.07027	2.3
119.08572	37.4
119.09383	3.0
121.10136	37.6
123.08051	3.9
123.11682	16.3
125.09611	3.9
129.09120	1.8
131.08548	9.9
133.10124	28.6
135.11688	32.2
137.09624	2.8
137.13251	6.5
139.11189	5.2
141.09122	2.6
143.08540	6.1
144.71805	1.5
145.10100	12.6
147.10532	2.7
147.11681	40.9
149.09622	2.0
149.13252	17.3
151.11224	2.4
151.14867	3.1
155.10573	1.9
156.09378	1.9
157.10135	6.6
159.11674	15.0
161.13269	20.4
163.14841	11.0
167.10640	8.1
171.11676	5.1
173.13239	8.5
175.14824	27.0
177.12624	1.9
177.16322	3.3
179.14273	2.2
179.17937	1.6
185.11742	18.8
185.13264	4.7
187.14761	7.8
188.15448	1.7
189.16374	100.0
190.17155	12.7
191.17947	25.9
199.14809	7.2
201.16367	13.5
203.17938	17.9
205.15959	2.1
205.19502	1.9
207.17445	4.1
213.16331	7.6
215.17950	4.9
217.16083	2.3
217.19508	23.4
227.17944	6.9
229.19559	4.2
243.21143	2.9
245.22615	8.5
257.22601	2.4
259.24170	2.8
269.22583	19.0
275.23676	2.0
287.23688	18.3
305.24744	32.4
306.11093	2.4
317.82333	1.7
323.25839	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.50494	0.5
65.16747	0.6
67.05494	0.9
69.03417	0.7
69.07056	0.7
71.35387	0.8
71.59760	0.5
79.05486	0.8
81.03398	0.6
81.07041	1.9
83.04957	1.2
83.53294	0.6
86.56815	0.6
87.04441	1.0
91.05479	4.2
93.06574	0.6
93.07055	6.8
95.04957	1.8
95.08581	1.3
99.77905	0.5
103.05463	3.4
105.07014	0.8
107.04951	9.3
107.08553	0.7
109.06486	0.8
109.10135	0.8
110.85278	0.6
111.04379	0.6
115.05422	0.8
116.71805	0.5
119.04946	2.2
119.08626	0.8
121.02884	1.5
121.06503	30.2
121.10104	0.8
122.06123	0.7
124.07571	0.9
129.06972	2.7
130.06506	0.6
131.04898	1.8
135.04391	0.7
135.07999	0.7
137.05969	1.0
138.35071	0.5
142.06523	0.9
143.07211	0.6
145.06468	1.8
146.06013	1.7
147.04410	1.2
148.58290	0.6
149.05971	2.5
151.07582	0.6
154.06505	0.7
155.07285	0.9
156.08109	5.6
160.07616	0.8
167.07213	1.0
168.08156	0.9
170.06006	10.9
172.07581	1.1
175.46759	0.5
175.48492	0.5
184.07578	11.8
186.05492	28.8
188.07080	1.5
198.05484	12.6
199.06268	13.0
200.07036	4.5
201.09042	0.6
205.08801	0.9
207.06483	1.0
212.07063	16.9
218.09454	0.7
229.09724	1.3
233.08334	6.3
234.09126	1.2
236.10754	1.5
246.09145	2.0
247.09947	2.1
249.07880	1.2
250.12291	1.2
251.09334	1.2
262.08682	2.2
262.12250	1.7
263.09454	1.4
264.10132	3.8
278.11679	1.5
288.10037	1.1
294.11237	1.7
305.10068	0.7
306.11230	100.0
307.11484	4.3
323.13864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.8
55.05506	5.3
57.03162	1.9
57.03437	25.7
67.05183	2.4
67.05508	25.2
69.03423	1.8
69.07062	4.1
71.04977	2.9
71.52645	2.0
79.05481	14.0
81.07054	16.6
83.04993	3.3
85.06542	25.9
91.05489	12.0
93.07050	9.9
95.04964	34.8
95.08595	9.0
105.03381	5.1
105.07011	9.0
107.04942	3.7
107.08583	7.4
109.06510	27.3
109.10150	5.8
111.08036	2.0
113.05998	100.0
117.07006	5.4
119.04989	2.3
119.08566	7.2
121.06498	2.6
121.10126	6.4
123.08029	2.6
129.02576	1.8
129.07076	2.7
131.08528	8.2
133.06500	2.6
133.10121	3.9
135.04405	7.0
135.08052	22.1
135.11697	2.9
143.08537	4.6
145.10086	4.9
147.08070	3.6
147.11737	2.9
149.05980	13.1
149.09654	2.4
149.13225	2.4
154.26237	1.5
155.08615	2.5
157.10130	4.8
159.11685	4.6
161.09595	5.1
165.06924	1.8
169.10103	2.2
171.08020	3.4
171.11627	3.1
173.13312	3.5
199.14731	2.6
201.09131	3.8
213.16629	1.8
217.15897	7.4
227.17802	2.3
273.18570	10.2
291.19547	33.6
323.12616	8.2
323.15955	2.0
323.23767	3.3
323.27325	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	323.2579
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
53.03945	2.6
55.01855	2.0
55.05512	16.2
56.76196	1.4
57.07073	8.5
58.70480	1.3
61.02922	2.9
65.05942	1.4
67.05502	17.4
67.88051	1.4
69.03423	5.3
69.06731	2.4
69.07072	29.4
71.04976	6.4
71.50961	2.1
79.05491	14.0
81.07056	53.3
83.04980	3.6
83.08632	9.6
85.06536	6.7
91.05475	13.5
93.06488	2.5
93.07042	32.8
95.04938	4.3
95.08607	70.0
97.06526	11.3
97.10168	4.8
99.03818	1.4
99.08093	3.6
101.06029	2.6
105.07033	45.6
107.07886	2.9
107.08589	46.5
109.06495	3.7
109.10160	38.5
111.08074	4.4
111.11687	2.6
115.07571	8.7
117.06997	3.0
119.08583	40.0
121.06506	1.5
121.10139	35.1
123.08029	2.8
123.11701	20.1
125.09587	5.3
129.07007	1.5
131.08571	9.0
133.10133	29.1
135.11697	33.2
137.05963	1.6
137.09590	1.8
137.13292	7.9
139.11180	3.5
141.09058	2.4
143.08533	4.2
145.10104	13.5
146.10901	2.0
147.11687	41.3
149.09618	3.1
149.13266	16.4
151.11143	1.6
155.10652	1.8
157.10129	8.9
159.10390	2.3
159.11682	14.0
161.13272	20.4
163.14813	8.8
164.04626	1.9
165.12804	1.8
167.10675	8.3
170.39986	1.4
171.11690	7.1
173.13307	7.0
175.14828	25.8
177.16380	4.5
185.11705	10.7
185.13260	5.1
187.14774	10.0
189.16382	100.0
190.17041	11.5
191.17966	20.1
199.14771	5.6
201.16380	9.9
203.17995	17.0
207.17448	3.6
213.16379	5.4
215.17914	2.2
217.19496	20.0
222.21681	1.5
227.17992	9.6
227.19814	1.7
229.19592	4.2
231.17455	2.0
235.20467	1.5
245.19067	1.8
245.22653	5.1
249.34682	1.5
257.22626	3.3
269.22675	12.8
275.23688	1.7
287.23715	19.8
293.24762	1.7
300.99109	1.8
305.24707	22.9
323.25790	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41153	5.1
58.81828	5.4
63.61446	5.8
63.71124	6.7
69.26369	49.1
69.26780	15.2
69.90997	5.0
98.21515	13.9
129.64728	6.3
225.54248	5.2
253.35747	5.1
273.08868	5.9
323.07410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28605	1.1
55.01859	3.3
57.03422	2.2
61.02931	5.7
61.95930	1.1
62.03016	1.1
70.56718	4.4
74.06568	1.1
76.70181	1.1
77.28867	1.1
79.91959	1.0
81.03412	2.5
85.02897	4.7
85.99091	1.0
89.03913	4.0
91.05510	1.6
95.01276	1.3
95.04949	1.4
99.45461	1.2
103.05476	6.9
107.04940	3.1
112.39197	1.2
115.05445	4.7
117.03367	5.3
117.06993	1.7
121.02855	1.5
123.04423	3.4
129.06979	2.5
131.04924	20.5
133.02853	1.3
135.04419	19.0
137.02342	15.5
137.03325	2.1
139.05408	2.0
141.07005	7.7
143.04929	4.1
145.02829	4.8
145.06488	3.0
147.04401	10.3
149.05977	17.8
150.06339	1.3
151.03889	1.4
155.03404	1.0
155.04897	4.8
157.06488	3.8
159.04411	9.3
160.05110	1.4
161.02361	9.3
161.05960	8.9
163.03896	63.5
163.07579	1.5
165.01849	2.7
165.05383	1.3
167.04997	1.2
169.06497	13.3
171.04381	4.7
173.05991	8.4
175.03897	14.0
175.07574	1.6
176.04723	2.4
177.05470	50.7
178.05841	1.3
179.03386	2.7
181.01317	2.9
183.04396	7.4
185.05978	7.7
187.03853	7.6
187.07526	2.5
189.05467	20.8
191.03368	7.0
193.04939	11.6
195.04433	2.5
197.05975	14.2
199.03891	6.4
201.05479	23.4
201.08966	1.2
203.03407	11.7
203.07051	4.8
205.04959	100.0
206.05286	3.0
207.02904	12.0
213.05450	11.9
215.03400	5.6
215.06963	13.7
217.04947	39.9
219.02905	2.0
219.06575	1.7
225.05524	2.8
229.04955	14.3
231.06519	13.0
233.04437	3.2
235.05984	2.2
241.05035	7.8
243.06563	8.7
245.04408	12.8
247.06042	3.3
253.38542	1.4
258.03696	1.3
259.06009	18.2
262.58051	1.1
275.05185	1.1
277.07040	16.9
281.06467	3.1
287.05460	3.7
287.55588	1.3
295.08054	1.6
305.06549	6.4
323.07614	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	321.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01858	1.6
55.05497	1.6
56.96549	2.4
57.03422	1.9
58.60720	0.5
60.04510	0.9
61.02914	1.2
67.05496	0.9
68.05025	1.1
69.03422	7.3
69.07063	0.7
70.06590	63.0
70.84085	1.4
71.04993	2.9
71.06916	0.6
73.02915	1.1
80.60004	0.7
81.03419	7.2
83.01331	1.2
83.04968	1.7
84.08116	0.9
85.02903	10.5
86.06070	3.5
86.09708	1.7
87.04462	0.7
94.06625	0.6
96.04494	2.0
96.08160	0.9
97.02891	4.3
97.07645	1.1
98.06050	0.6
98.97587	4.2
99.04432	2.4
106.66561	0.7
109.02881	7.0
110.97571	0.9
112.07584	1.5
113.07124	67.1
114.05514	4.0
115.08680	4.6
116.98611	4.0
124.07607	0.7
127.03912	100.0
128.04242	1.7
128.07065	0.6
128.98607	1.0
130.08572	0.8
131.00079	0.6
132.08150	0.7
132.95805	0.8
134.99644	1.4
137.06003	0.8
141.06586	15.0
142.03226	2.1
142.08601	1.8
145.04938	2.5
146.05962	0.7
146.99675	0.9
147.04320	1.6
148.07603	0.8
153.01846	1.5
156.06520	1.2
158.99677	1.4
159.07675	13.4
159.08977	0.9
160.04250	2.2
160.07584	7.6
160.09671	4.3
161.01151	0.9
163.03838	1.1
172.07559	1.2
174.09174	1.6
176.96960	1.8
177.00717	1.4
187.08676	8.5
189.00755	0.9
190.04942	1.5
201.08688	12.1
201.10233	1.0
202.08815	0.8
205.45313	0.7
219.01770	1.9
231.02856	1.1
231.07161	0.7
231.09644	0.8
232.05841	0.9
234.99095	1.3
236.99171	1.0
237.02872	3.3
240.56233	0.8
255.00056	1.3
257.00885	1.4
267.09723	13.3
275.01846	1.6
280.26340	0.6
285.00311	1.2
285.10788	13.5
291.01431	0.6
292.11926	0.7
303.01315	7.5
303.11853	8.9
304.12015	0.9
321.02151	1.0
321.11304	1.5
322.10071	0.7
322.14902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01868	1.9
56.96561	10.0
57.03432	3.1
61.02930	2.8
68.05011	1.1
69.03430	9.6
70.06593	86.2
71.04987	2.5
71.06931	2.3
71.47109	1.6
71.47453	1.2
71.78125	0.8
73.02906	1.9
81.03428	8.1
81.07078	1.1
81.24825	0.9
81.32552	1.0
83.01341	2.0
83.04977	1.4
84.04505	1.0
84.08124	1.1
85.02908	14.2
86.06049	5.1
87.04448	1.5
97.02899	8.9
97.07645	1.6
98.06094	1.2
98.97588	9.4
99.04459	3.7
101.00888	6.1
103.00610	1.3
103.02479	1.4
109.02888	7.1
110.97586	2.0
111.04428	1.6
113.00883	2.5
113.07130	83.4
114.05529	6.9
115.02438	1.6
115.08709	7.4
116.07074	1.2
116.98607	6.5
119.01917	20.0
121.01711	2.0
127.03918	100.0
128.04231	2.1
128.07077	1.1
128.98607	3.2
131.00221	1.5
131.01910	11.6
133.01726	1.2
133.03479	5.7
133.60336	1.0
134.99643	3.6
135.05054	2.1
137.02937	2.6
139.03865	1.3
141.06577	18.6
143.01930	3.9
145.03513	4.4
145.04901	2.5
146.99675	2.3
149.02979	2.9
153.01833	2.5
155.01866	7.5
156.06604	1.7
157.03447	2.3
158.99664	1.7
159.05121	4.9
159.06325	1.9
159.07661	35.9
160.07652	4.3
161.01265	1.8
161.02945	4.6
162.99161	1.4
163.02721	1.0
163.04370	1.6
165.00754	1.4
168.99858	1.4
171.04976	4.7
173.02975	15.9
173.04407	2.0
174.03069	1.9
174.09103	1.2
175.04527	1.4
177.00711	3.8
177.02376	2.2
177.04359	2.9
177.06065	2.9
185.02939	2.7
187.00920	3.7
187.08740	2.1
189.00755	2.0
189.02438	2.4
189.06093	4.6
191.03976	1.9
195.05289	3.5
201.02460	15.4
201.06070	1.7
201.08701	11.9
202.08723	1.8
203.03983	3.1
213.02489	4.3
213.05991	1.8
215.00359	4.7
215.07841	1.2
219.01747	2.8
219.03522	43.1
219.07094	2.3
220.03702	1.9
221.05168	5.8
229.01939	2.3
231.03508	8.2
231.07353	1.1
231.09639	1.7
233.04997	2.1
237.02730	8.6
239.06071	1.3
242.05063	3.0
247.02994	7.8
249.04605	3.9
257.00742	1.3
259.02390	1.7
261.04669	1.8
261.08258	6.1
265.04120	1.2
267.09732	13.9
269.07352	1.2
277.03564	1.2
279.03668	1.6
279.09225	10.2
285.10797	25.6
298.06244	2.0
303.01373	9.7
303.11810	8.4
321.02747	1.2
321.06552	2.4
321.10165	9.3
321.14066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42455	0.3
51.06153	0.4
54.78173	0.4
70.11676	1.9
96.69651	0.4
98.20860	0.5
98.97613	0.5
101.00919	0.9
109.13034	0.5
111.05592	0.8
115.02465	0.7
115.24254	0.4
119.01933	1.4
123.05582	0.7
128.83501	0.4
130.79428	0.4
131.01962	0.6
133.03517	1.3
141.06555	2.1
145.03447	0.8
147.04994	0.8
155.01920	0.7
159.05055	0.8
159.06442	0.6
159.07715	1.6
171.05144	0.8
173.02965	1.0
177.06084	0.5
183.05141	0.5
200.75642	0.4
219.07089	0.9
221.05054	0.7
231.07156	0.8
245.04990	0.6
247.03072	0.4
279.09271	1.0
318.72665	0.4
321.11627	100.0
322.12109	2.8
340.46695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96558	0.7
56.99076	0.7
59.84735	0.8
70.06596	1.7
70.45937	3.0
79.04409	0.8
85.02907	1.2
89.56315	0.8
101.00907	2.7
111.05554	1.2
113.07159	1.3
119.01897	4.9
127.03911	2.0
131.01930	3.2
133.03510	3.8
141.06631	3.4
141.43683	0.8
145.03459	1.5
147.05074	0.9
155.01913	2.1
157.03598	1.3
159.05170	1.0
159.07712	2.7
161.02983	1.5
171.05092	2.3
173.03020	1.9
175.04533	0.9
191.04086	1.5
201.02530	1.6
201.06082	1.0
215.00449	1.7
219.03587	3.6
219.07266	1.5
221.05083	1.8
229.02003	1.5
231.07179	1.3
233.05095	2.0
247.02968	4.0
248.43486	0.9
255.07117	1.0
261.08289	3.7
279.09149	5.9
303.09818	1.5
303.13232	1.2
321.11636	100.0
322.11975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75303	1.0
56.00922	1.0
56.96556	3.3
58.99841	2.4
62.97648	1.0
66.24428	1.1
68.98264	1.8
69.03410	2.9
69.17304	1.0
69.80888	7.1
70.99837	1.9
73.01428	1.3
77.00928	1.6
78.20174	1.2
82.99844	2.8
84.51342	1.0
85.02890	4.1
87.04472	1.2
89.38798	1.2
91.02444	1.8
94.99858	1.8
97.01390	1.2
97.02851	1.9
98.97567	6.7
101.00873	34.9
103.02437	2.7
113.00849	13.5
115.02423	20.1
116.98576	2.4
117.04008	8.3
119.01922	74.8
120.01945	1.5
121.03526	1.3
127.02421	4.4
127.03907	2.4
128.79234	1.1
128.98558	1.5
129.03940	4.4
131.01901	51.8
133.03464	37.8
134.03542	1.5
135.05032	11.2
137.00803	4.2
137.02959	11.3
141.03932	4.0
142.03464	1.2
143.01894	15.7
144.99791	2.1
145.03465	22.3
147.01361	2.1
147.04990	8.1
149.02948	6.0
151.04489	4.9
155.01892	38.7
155.05457	1.7
156.02742	7.2
157.03436	10.8
159.03636	1.7
159.05019	35.8
161.02942	24.2
161.06644	1.4
162.03082	1.3
163.04521	7.6
168.99821	4.6
171.01379	2.9
171.05022	42.2
172.05051	2.2
173.02968	33.9
173.06610	8.9
175.04515	6.0
177.02438	1.6
177.04474	2.6
177.06052	14.5
179.04031	1.4
183.05049	6.0
185.02934	5.1
185.06554	4.5
187.00864	11.8
187.04510	3.3
189.02461	6.1
189.06079	27.3
190.06258	1.5
191.04065	9.7
191.07671	2.4
196.99283	2.6
197.02887	2.2
201.04387	1.4
201.06096	14.3
203.04034	14.4
203.07600	4.6
205.01935	4.5
205.05583	1.9
213.06091	9.0
215.00378	18.9
215.03734	1.8
219.03531	3.0
219.07129	14.9
221.05069	54.3
222.05223	2.6
229.01894	7.5
231.07118	8.9
233.01477	1.8
233.05078	8.1
237.02708	2.1
243.07166	6.9
244.06737	1.7
245.05035	6.6
246.75381	1.3
247.02965	32.4
248.03047	2.5
249.04449	2.0
255.07095	2.9
259.06628	2.0
261.08194	68.9
262.08301	2.3
263.06198	1.4
265.04120	5.9
273.08163	2.7
279.09253	100.0
280.09372	5.4
289.03928	4.7
302.10764	5.1
303.01306	3.6
321.10284	89.7
322.10379	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36511	2.2
56.96551	7.1
57.03424	3.4
61.02920	2.6
69.03424	8.4
71.50110	3.0
77.00891	4.0
81.03408	4.8
81.04517	9.9
82.05320	3.4
82.99842	3.6
84.04511	3.2
85.02906	14.3
95.06078	14.1
96.92194	2.6
97.02879	5.2
98.97558	8.6
101.00877	31.1
111.05560	55.0
113.00861	2.7
113.26564	2.2
116.86366	2.5
116.98589	4.0
119.01923	84.2
120.02079	2.7
123.05547	43.2
127.02431	8.6
131.01895	10.9
131.05449	2.7
133.03442	6.9
137.02934	11.2
141.06584	100.0
143.00171	4.1
143.01888	24.9
145.01717	3.3
145.03464	50.7
146.03568	3.4
146.53996	2.2
146.99469	2.5
147.01332	2.9
149.02936	3.2
152.02348	3.0
155.01926	7.5
157.03488	12.2
159.04941	2.5
159.07632	58.3
161.01443	4.1
161.02962	56.1
163.04518	9.9
168.03773	3.7
169.03468	7.6
171.01431	19.7
171.05061	4.2
173.02977	23.9
175.04526	5.9
177.00758	3.7
177.02504	3.1
179.53012	2.6
180.03743	3.4
184.04550	4.1
185.02934	9.7
187.02913	3.5
187.04498	11.3
189.00783	5.0
189.02441	64.4
191.03969	9.1
197.02937	6.5
201.02487	21.1
203.04025	21.8
212.04129	2.4
213.02480	5.7
215.04013	6.1
219.01733	5.3
219.03548	19.5
221.01727	4.6
221.05057	54.8
222.05455	3.0
231.03636	3.5
233.05177	19.0
237.02731	7.4
239.06091	13.2
239.54849	3.7
240.02116	2.6
245.05101	20.0
247.04790	8.8
251.06146	4.9
254.05052	3.4
255.03915	3.0
256.97525	7.3
261.04657	29.5
262.05038	4.8
263.06076	14.2
275.06113	13.3
279.05859	17.5
291.05545	4.6
293.07068	3.0
296.99155	4.8
297.02237	2.5
298.98492	5.6
303.05563	3.7
321.06552	34.4
321.13245	10.9
328.01721	2.6
339.00702	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
53.82969	2.0
54.48189	1.8
55.05509	12.7
57.07085	2.2
61.91409	2.3
67.05146	2.7
67.05503	42.4
69.03423	5.8
69.07063	16.7
69.44760	18.0
71.04990	4.2
79.05487	13.2
80.39526	2.0
81.07057	37.0
83.08609	3.3
85.06536	2.2
91.05488	14.1
93.07041	37.5
95.04967	6.0
95.08604	36.8
97.10181	6.1
99.04464	2.6
99.08116	2.7
105.07018	31.5
107.08591	27.7
109.06499	5.1
109.10152	100.0
113.09617	2.5
117.07022	6.0
119.08583	21.9
121.06513	5.9
121.09232	4.1
121.10139	85.0
123.08079	4.9
123.11710	15.5
129.06964	2.2
131.08551	7.9
133.10112	19.4
135.08084	5.1
135.11694	27.0
136.45886	2.4
137.05956	2.2
137.09618	22.6
137.13290	3.0
139.11232	4.5
143.08553	5.4
144.08083	21.5
145.10130	15.0
147.08047	7.6
147.11713	8.8
149.09599	3.5
149.13292	2.6
149.44377	2.1
151.11237	2.3
151.33432	2.2
154.49014	2.2
155.10680	8.4
157.10153	7.0
159.11642	5.8
161.09586	16.5
163.11197	12.9
165.09114	34.4
171.11687	3.9
173.13281	8.2
175.11191	4.5
175.14845	3.4
176.14278	11.2
179.10622	3.9
183.10149	2.9
187.14772	3.2
191.10703	3.7
191.14400	3.0
199.14816	3.1
215.14319	2.1
217.12082	2.3
227.14403	3.3
241.19530	4.2
255.21088	6.9
283.20639	6.4
301.21613	22.5
319.04257	2.8
319.22574	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05499	0.3
63.87234	0.2
65.03934	0.6
67.01854	0.6
68.99786	3.7
69.03416	0.6
71.50315	0.3
79.05479	1.2
80.05021	0.4
81.03410	0.7
81.05788	1.3
81.07050	0.8
83.04946	0.3
91.05450	0.4
93.03401	0.6
94.06564	0.3
96.08121	4.7
97.02894	0.5
105.07000	0.3
106.06555	0.6
107.01292	0.3
107.04955	0.2
109.02886	2.5
111.00800	5.2
111.04432	0.6
111.69902	0.2
115.05444	0.3
121.02850	0.5
121.06509	0.3
123.04402	0.3
124.07587	22.2
125.02328	0.9
126.03117	0.4
127.03922	1.4
133.02846	0.6
133.06537	0.3
134.39360	0.2
137.02341	4.5
138.09131	0.7
139.03867	0.8
140.10661	0.6
143.03398	0.3
145.10175	0.2
147.04411	1.0
149.02338	0.4
149.05966	0.5
151.03976	0.3
153.01820	24.6
154.02141	0.5
159.68047	0.2
161.02330	0.5
161.05981	0.7
163.03886	0.3
165.01840	7.1
166.02576	1.4
167.03439	0.3
171.04453	0.7
175.03891	0.9
177.05449	1.1
178.04974	1.0
179.03383	2.8
180.02899	0.9
182.04465	1.1
183.02911	2.7
189.01845	0.3
189.05478	1.9
191.03384	0.3
193.01329	0.5
195.02864	1.6
199.03923	1.0
200.04633	0.2
203.03319	1.5
204.04240	0.3
207.02859	0.9
207.06502	0.3
209.04315	0.3
217.04958	7.9
217.07030	0.4
218.05353	0.3
219.02968	0.5
221.04410	0.9
227.03320	1.0
227.11655	0.4
228.12340	0.3
229.04941	0.5
229.13445	0.4
231.02953	0.4
232.03743	0.4
233.04510	0.4
235.02278	0.5
235.05977	0.7
241.09868	0.3
243.03009	0.3
244.03590	0.8
245.04434	10.1
246.04805	0.6
255.02905	1.3
255.11224	0.4
257.12753	0.3
262.04669	0.3
263.05145	1.2
270.09885	0.4
272.03149	0.6
272.07828	0.4
273.03903	9.6
273.12195	0.4
274.04260	0.4
283.02441	0.4
283.10535	0.3
290.04196	2.6
291.04550	0.3
301.03354	2.1
301.11749	1.6
302.03943	0.3
304.04785	0.4
319.04446	100.0
320.04825	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	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14794	0.8
53.31393	0.8
54.47917	0.9
55.01850	0.8
55.05494	1.8
55.73082	0.8
58.54886	0.8
65.03559	0.9
65.03902	0.8
67.05470	1.1
68.99770	1.0
69.03410	1.5
69.07047	0.9
69.69401	5.6
81.07051	1.2
83.04945	0.9
88.91000	0.8
91.05490	0.9
95.04964	0.9
95.08538	1.3
105.06998	1.2
109.02774	0.8
109.10142	1.0
111.04400	0.9
121.02834	0.9
131.07266	3.7
132.07985	1.2
133.10138	0.9
137.02332	4.2
144.08101	4.2
145.10114	1.0
153.01779	2.5
153.07901	0.8
169.01244	3.1
171.04372	1.6
172.11169	3.3
182.09566	2.4
184.09837	2.0
185.08287	3.9
186.12755	6.4
188.06960	2.5
197.08414	1.8
198.07767	2.8
199.03856	1.7
199.10010	1.2
199.12326	1.3
200.10666	1.5
209.10562	2.1
210.09111	1.5
211.04918	3.3
211.08461	0.9
212.09088	2.3
212.10674	3.3
213.06468	2.6
214.12259	12.5
217.04889	1.3
226.07225	2.7
227.08052	3.2
227.11691	3.4
228.10443	4.8
230.11691	1.3
237.10002	2.1
239.07968	1.1
239.11816	1.1
240.10286	9.1
241.06123	5.9
241.09668	3.0
245.04305	3.5
255.07539	1.8
255.11169	12.5
256.11758	1.0
257.12845	4.8
258.08890	1.1
258.11273	16.8
263.07074	1.2
270.09955	10.0
272.07913	42.8
273.03836	4.1
273.08691	4.0
273.12076	4.0
283.10764	10.6
286.09262	0.9
290.08466	0.8
291.06345	2.3
301.03378	2.5
301.11807	100.0
302.12064	2.1
304.04581	2.1
319.04303	47.5
319.12543	5.0
320.04736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
56.96553	3.8
57.03427	1.6
61.02912	3.3
69.03429	3.5
70.20390	4.1
72.08144	2.0
73.02922	1.1
83.04970	2.6
84.04516	2.2
85.02917	5.4
87.94699	1.1
91.05490	3.2
95.04955	1.4
97.02901	2.3
98.97596	2.6
101.00890	3.2
111.04436	2.5
116.98595	1.8
119.01904	11.5
121.01679	2.7
127.03941	1.2
128.02271	1.7
128.98586	1.6
131.01903	3.4
133.01662	2.2
133.03476	3.0
136.73869	0.9
137.02951	2.2
138.09195	2.6
139.03931	4.9
142.03488	1.2
143.01891	4.0
145.03496	4.0
145.04893	1.0
146.99652	1.5
149.03004	1.2
155.01836	2.5
157.03508	2.0
157.04819	1.8
161.02977	6.1
173.02997	4.7
174.11256	2.2
175.02702	1.3
183.86330	1.2
187.04533	1.6
189.00690	1.1
189.02399	2.3
191.03835	1.9
203.04120	1.3
207.05127	1.4
208.99727	1.6
217.01959	2.3
229.04944	1.5
231.03632	2.2
245.06393	4.8
263.07047	2.3
273.05389	3.3
291.06424	2.3
301.08966	8.1
301.11902	3.4
319.10059	100.0
320.10245	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	319.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
56.96553	3.8
57.03427	1.6
61.02912	3.3
69.03429	3.5
70.20390	4.1
72.08144	2.0
73.02922	1.1
83.04970	2.6
84.04516	2.2
85.02917	5.4
87.94699	1.1
91.05490	3.2
95.04955	1.4
97.02901	2.3
98.97596	2.6
101.00890	3.2
111.04436	2.5
116.98595	1.8
119.01904	11.5
121.01679	2.7
127.03941	1.2
128.02271	1.7
128.98586	1.6
131.01903	3.4
133.01662	2.2
133.03476	3.0
136.73869	0.9
137.02951	2.2
138.09195	2.6
139.03931	4.9
142.03488	1.2
143.01891	4.0
145.03496	4.0
145.04893	1.0
146.99652	1.5
149.03004	1.2
155.01836	2.5
157.03508	2.0
157.04819	1.8
161.02977	6.1
173.02997	4.7
174.11256	2.2
175.02702	1.3
183.86330	1.2
187.04533	1.6
189.00690	1.1
189.02399	2.3
191.03835	1.9
203.04120	1.3
207.05127	1.4
208.99727	1.6
217.01959	2.3
229.04944	1.5
231.03632	2.2
245.06393	4.8
263.07047	2.3
273.05389	3.3
291.06424	2.3
301.08966	8.1
301.11902	3.4
319.10059	100.0
320.10245	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	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.8
57.03419	1.6
61.02918	4.3
67.23818	1.4
69.03436	2.1
69.10271	1.2
71.50302	1.9
71.97939	1.2
73.02920	1.9
73.78414	1.1
83.04978	2.3
84.04494	1.8
85.02905	4.1
97.02908	1.5
98.97582	3.1
101.00865	2.9
119.01917	10.5
121.01609	1.5
127.03928	2.6
131.01918	2.9
133.01660	1.5
133.03471	4.3
137.02985	2.4
138.09164	1.6
139.03920	2.6
143.01915	4.9
145.03481	3.5
145.25818	1.2
146.99707	1.8
155.01901	1.6
158.79250	1.4
161.02997	5.7
173.03029	5.1
174.11215	2.1
175.02802	2.2
175.04456	1.4
184.04712	1.6
185.02959	1.9
187.04622	1.8
189.02464	2.7
190.98712	1.6
213.03485	1.4
215.00455	2.3
217.01959	1.7
221.05225	2.2
231.03654	2.1
245.06392	2.8
250.45007	1.4
259.03235	1.5
263.06952	2.3
273.05469	1.8
283.16373	1.5
291.06525	1.3
293.53482	1.2
301.08911	5.6
301.11899	3.3
319.10071	100.0
319.13040	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	319.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52749	1.4
55.01860	4.0
55.05498	5.9
65.03915	2.1
67.05506	8.5
68.99774	4.3
69.03423	6.5
69.07060	7.9
69.67706	9.5
71.01309	1.4
71.04983	3.0
77.03920	2.7
79.05486	7.2
81.03387	4.9
81.07063	16.0
83.04974	5.3
85.02883	1.7
85.06531	4.2
89.03912	3.6
91.05474	10.3
93.03360	2.0
93.07038	10.3
95.04980	6.4
95.08610	8.7
97.06512	3.1
98.20775	2.9
103.05518	1.4
105.03397	2.7
105.07037	11.6
107.04954	2.4
107.08590	13.2
109.02856	6.0
109.06503	4.7
109.10175	9.4
111.00768	2.0
111.04447	3.1
111.08073	3.7
111.11685	2.0
115.05427	2.7
117.03313	1.5
118.35689	1.5
119.04938	4.8
119.08596	8.7
120.08092	1.3
121.02866	23.4
121.06495	2.9
121.10121	6.2
123.04465	1.4
123.08057	3.7
123.11709	4.5
125.09614	3.5
127.03911	2.1
129.04462	1.6
129.07025	2.0
131.04906	2.0
131.08582	3.9
133.02853	1.9
133.06506	1.7
133.10121	7.3
135.08067	4.7
135.11667	4.1
137.02341	4.5
137.05983	3.5
137.09601	4.1
139.03915	3.6
139.07536	2.9
142.07744	1.6
143.04916	3.1
143.08548	2.4
145.02896	7.2
145.10124	6.4
147.04381	7.4
147.08002	1.8
147.11665	4.5
149.02280	2.0
149.05962	1.8
149.09607	3.3
149.13255	2.9
151.03915	2.0
151.11209	2.9
153.01816	8.4
157.10149	3.0
159.08136	2.5
159.11684	4.7
161.09613	3.2
161.13373	1.6
163.03867	1.9
163.11176	3.1
163.14847	1.6
165.01822	3.8
165.05623	2.4
165.07019	6.7
165.09116	2.0
167.03403	6.8
167.07104	1.5
169.01303	2.0
171.04376	4.7
171.11646	1.7
173.02336	11.0
173.09608	1.6
173.13228	3.7
175.03970	1.6
175.11203	3.0
177.05476	2.7
177.09135	2.1
178.07771	15.1
179.08554	14.2
179.10057	1.5
179.10753	1.5
181.06441	2.5
184.27078	1.5
185.13278	1.9
189.05449	2.2
189.06984	26.2
189.12730	1.8
189.16328	1.6
190.07681	3.3
191.08510	3.3
192.05754	1.4
193.06485	1.8
193.12407	1.5
199.03853	2.4
199.14693	1.8
205.06487	3.0
206.07269	2.4
207.08057	18.7
215.14209	2.1
217.06593	9.1
218.07188	7.3
219.08101	3.9
221.05998	9.1
234.06743	5.7
235.07559	24.9
237.05347	2.4
245.06055	27.6
246.06764	2.8
247.07545	7.4
249.05545	8.1
257.05984	1.5
257.19217	1.5
258.06763	1.5
259.10562	1.7
261.05496	3.7
262.06293	3.4
263.07050	36.5
273.05493	41.6
274.06241	12.2
275.07098	4.3
276.05310	1.7
277.04761	7.3
283.10843	1.7
290.05786	16.7
291.06512	91.9
292.06726	1.6
297.04083	2.8
301.04980	37.1
301.12015	6.5
301.21597	8.0
302.05740	7.6
304.04797	2.5
319.06125	100.0
319.12332	3.0
319.19034	2.9
319.22647	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	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03939	0.7
55.01854	1.3
55.05500	0.9
65.03928	0.5
65.58930	0.3
67.05475	1.1
67.05807	0.3
68.99783	3.7
69.03419	0.7
69.07045	0.8
71.04043	0.4
79.01836	0.6
79.05469	1.1
81.03407	1.6
81.07035	1.3
83.04957	0.6
85.02903	0.4
85.06524	0.4
89.03894	0.4
91.05465	1.5
93.03370	0.6
93.07034	1.4
95.01316	0.6
95.04967	1.8
95.08592	0.6
97.02885	0.6
97.06504	0.3
102.56418	0.3
103.05482	0.6
105.03365	0.5
105.07021	1.4
107.01315	0.6
107.04953	0.3
107.08591	1.4
109.02863	2.3
109.06522	0.5
109.10134	1.0
111.00775	1.0
111.04472	0.3
115.05457	0.9
117.03362	0.3
117.07019	0.3
119.04935	0.8
119.08553	0.9
121.02856	2.9
121.06470	0.7
121.10130	0.9
123.00790	1.7
123.04424	1.5
123.11654	0.4
125.02348	1.1
125.09589	0.3
125.10966	0.3
127.00291	0.3
127.03907	0.9
129.07045	0.4
130.04141	0.3
130.06505	0.3
131.04955	0.6
131.07307	1.7
131.08536	0.6
132.08075	0.5
133.02843	0.9
133.06490	0.5
133.10101	0.8
135.04379	0.4
135.08022	0.5
135.11577	0.3
137.02338	15.6
137.03416	1.3
137.05952	0.6
137.09583	0.4
138.02696	0.3
139.00252	0.6
139.03905	0.5
142.02644	0.3
142.63004	0.3
143.04906	1.0
144.08087	1.4
145.02831	0.7
145.10114	0.6
147.04398	2.8
147.11636	0.5
149.02373	0.7
149.05981	0.4
150.03062	0.3
151.03897	0.6
151.11159	0.3
153.00578	0.5
153.01813	8.2
153.06935	0.4
157.10063	0.5
158.09546	0.3
161.05971	1.1
163.03976	0.4
165.01863	1.7
165.06924	0.9
165.09140	0.3
166.02515	0.3
167.07329	0.5
168.08115	0.4
169.01328	9.2
169.08897	0.4
170.09612	0.6
171.03017	0.5
171.04382	2.9
172.11203	1.2
173.02341	4.9
173.13200	0.3
175.03909	1.3
177.05498	0.7
178.07744	1.2
179.03348	0.9
179.08559	1.1
181.01317	2.2
182.09676	0.9
183.02869	0.6
184.07596	0.6
184.09846	0.6
184.11276	0.5
185.00801	0.7
185.08298	1.4
186.12733	2.5
188.07065	0.5
189.05650	2.1
189.06827	2.2
190.07710	0.4
193.05022	0.5
194.08376	0.5
195.02867	0.8
197.08432	0.6
198.07719	0.7
198.09267	0.7
199.03894	4.5
199.08499	0.5
199.10080	0.5
199.12167	0.4
200.04396	0.3
200.10701	0.5
203.03398	1.0
207.02948	0.5
207.08061	1.1
209.07170	0.7
209.10681	1.0
210.09151	0.8
211.05026	2.0
211.08521	0.5
212.09369	1.3
212.10890	1.0
213.06572	1.1
213.11540	0.5
214.08731	0.4
214.12248	5.9
217.04924	4.3
217.06682	0.5
225.06548	0.4
226.07320	1.1
227.03368	1.7
227.08223	1.3
227.11774	1.9
228.10152	2.0
229.04810	0.4
229.07204	0.4
230.11781	0.8
231.02873	0.4
235.07707	1.5
237.10229	1.3
239.08069	0.4
239.11852	0.5
240.10262	4.0
241.06090	2.0
241.09705	0.7
242.06676	0.4
242.10545	0.5
244.03555	0.4
245.04305	8.0
254.06818	0.5
255.02907	1.7
255.07736	0.9
255.11259	5.0
256.12131	0.3
257.12878	2.3
258.11261	7.5
263.07413	2.6
270.10007	3.9
271.07144	0.3
272.07901	19.1
273.03668	10.1
273.08508	1.2
273.11795	1.5
274.06473	0.5
277.05002	0.4
283.02496	0.6
283.10742	3.8
290.03693	1.4
291.06607	4.2
301.03152	6.2
301.11801	45.6
302.05963	0.4
304.04562	0.6
319.04382	100.0
319.12646	2.3
319.22736	1.0
320.04791	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01862	0.4
55.51106	0.2
65.03924	0.4
67.01856	0.5
68.99786	3.8
69.03436	0.4
70.76746	0.2
70.77106	0.5
71.01341	0.2
72.29483	0.2
72.64013	0.2
79.01855	0.6
79.05503	0.2
81.03406	0.6
91.05460	0.2
93.03393	0.6
95.01340	0.2
97.02885	0.7
98.21018	0.3
105.07035	0.3
107.01337	0.2
109.02876	2.4
111.00803	4.4
111.04424	0.7
115.05457	0.4
117.33395	0.2
121.02885	0.4
121.06484	0.5
123.04430	0.3
125.02328	0.6
126.03127	0.6
127.03912	0.7
133.02844	0.4
133.06474	0.3
135.04439	0.2
137.02336	4.4
139.03889	0.8
143.03441	0.4
143.04872	0.3
147.04430	0.5
149.02318	0.5
149.05942	0.2
151.03865	0.2
153.01823	22.1
153.05371	0.4
154.02148	0.2
155.04803	0.2
156.24677	0.2
160.01042	0.2
161.02309	0.3
161.05978	0.8
163.03871	0.3
165.01842	5.8
166.02573	1.1
171.04395	0.9
173.06018	0.2
175.03893	0.4
177.05464	0.7
179.03389	3.0
183.02875	2.8
189.05487	2.1
193.01450	0.4
193.04987	0.3
195.02992	1.4
199.03935	0.9
201.05403	0.2
203.03423	1.4
207.02924	1.1
208.03674	0.2
209.04413	0.2
213.54190	0.2
216.03889	0.3
217.04956	7.9
219.02917	0.5
221.04456	0.5
227.03412	0.9
229.04968	0.6
231.02821	0.6
232.03603	0.5
235.02402	0.4
235.06029	0.6
239.01958	0.3
244.03685	0.7
245.04448	9.7
246.04834	0.3
255.02887	1.3
263.05283	0.9
272.03024	0.5
273.03903	8.4
283.02274	0.4
290.04285	2.1
301.03366	1.9
319.04462	100.0
320.04810	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	319.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01869	0.5
60.83556	0.1
62.03706	0.1
65.03938	0.5
67.01870	0.3
68.99443	0.3
68.99792	3.6
69.03424	0.6
69.07063	0.3
70.14638	0.6
71.01363	0.2
79.01839	0.4
79.05489	0.2
81.03417	0.7
81.07043	0.4
83.04978	0.3
89.74655	0.2
91.05486	0.3
93.03391	0.4
93.07053	0.4
95.01326	0.2
95.04987	0.2
95.08630	0.2
97.02892	0.4
97.06554	0.2
103.05462	0.2
105.03416	0.1
105.07011	0.4
107.01280	0.3
107.04952	0.2
107.08575	0.1
109.02863	2.3
111.00804	3.7
111.04429	0.6
115.05459	0.4
119.08587	0.2
119.79720	0.1
121.02877	0.5
121.06509	0.6
121.10152	0.2
123.00734	0.1
123.04418	0.4
124.07594	0.2
125.02365	0.5
126.03098	0.3
127.03909	0.9
133.02847	0.6
133.06450	0.3
133.10100	0.1
135.04410	0.2
137.02339	4.4
137.03305	0.2
139.03886	0.7
143.03400	0.3
147.04395	0.7
149.02353	0.4
149.05936	0.1
151.03880	0.2
153.01826	20.4
153.05371	0.4
154.02219	0.3
159.04436	0.2
161.02448	0.3
161.05972	0.7
163.03906	0.2
165.01839	5.5
166.02632	0.8
166.04929	0.2
169.01308	0.9
171.04390	1.0
171.62985	0.1
175.03871	0.4
177.05464	0.7
179.03381	2.7
181.01273	0.2
182.04384	0.2
183.02881	1.9
183.04314	0.2
187.03835	0.2
188.04630	0.2
189.01816	0.4
189.05501	1.7
191.03375	0.2
192.04227	0.2
193.01343	0.7
193.05107	0.3
194.02106	0.2
195.02864	1.3
199.03958	1.2
199.52142	0.1
203.03386	1.5
205.04932	0.3
207.02908	0.6
208.03578	0.2
216.04204	0.3
217.04950	7.2
219.02924	0.5
221.04440	0.9
227.03442	0.9
229.04996	0.6
231.02858	0.5
232.03752	0.3
233.04437	0.2
235.02267	0.4
235.05922	0.7
239.02037	0.2
244.03654	0.9
245.04449	8.8
249.03920	0.2
255.02913	1.2
263.05350	1.0
272.03152	0.3
273.03909	8.9
274.04428	0.2
283.02371	0.3
290.04166	2.2
291.04767	0.2
301.03397	1.9
301.11655	0.3
301.21637	0.2
304.04831	0.3
319.04459	100.0
320.04846	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01868	0.6
55.05510	0.3
57.04455	0.1
59.04998	0.7
65.03938	0.6
67.01872	0.4
67.05485	0.4
67.61675	0.1
68.99785	4.3
69.03423	0.6
69.07067	0.3
69.71054	0.7
69.71461	0.3
71.05007	0.2
72.30315	0.1
79.01854	0.4
79.05505	0.2
81.03420	0.9
81.07051	0.4
83.04970	0.5
85.02895	0.2
91.05482	0.4
93.03416	0.5
93.07022	0.4
95.01319	0.2
95.04951	0.3
95.08604	0.5
97.02883	0.7
97.06531	0.3
98.20763	0.2
103.05442	0.3
105.03431	0.3
105.07023	0.5
107.01317	0.2
107.08617	0.1
109.02874	3.3
109.10146	0.7
111.00793	5.4
111.04426	0.8
113.51984	0.1
115.05448	0.4
119.04978	0.2
119.08587	0.4
120.60583	0.1
121.02842	0.7
121.06490	0.7
121.10156	0.2
123.00807	0.2
123.04432	0.5
123.08060	0.6
124.07611	0.6
125.02371	0.8
126.03132	0.4
127.03934	1.1
131.04898	0.2
133.02858	0.5
133.06468	0.4
135.04385	0.2
137.02330	4.9
137.09618	0.3
139.03877	1.0
139.11182	0.2
143.03377	0.2
145.06499	0.2
147.04405	0.8
147.07993	0.2
149.02338	0.4
149.05960	0.2
150.00339	0.1
153.01817	24.6
153.05412	0.5
154.02170	0.2
155.04878	0.1
157.82390	0.1
161.02339	0.4
161.06001	1.1
162.33661	0.1
163.03946	0.3
165.01828	6.7
165.09077	0.4
166.02646	1.2
167.03412	0.7
171.03050	0.2
171.04434	0.8
173.05945	0.2
175.03896	0.5
176.04764	0.2
177.05460	0.7
179.03366	3.0
183.02895	2.4
183.04329	0.1
183.10112	0.3
185.06987	0.1
187.03874	0.2
188.04623	0.2
189.01807	0.2
189.05443	2.4
189.07019	0.5
191.03404	0.2
193.01366	0.7
193.04988	0.3
194.02026	0.2
195.02898	1.4
197.09030	0.1
199.03957	1.1
201.05438	0.3
203.03362	1.7
204.04123	0.2
205.04785	0.2
207.02916	0.8
207.08128	0.4
208.03584	0.3
209.04384	0.3
215.03352	0.2
216.04214	0.3
217.04929	8.9
218.05240	0.2
218.07137	0.2
219.02867	0.6
221.04364	0.8
227.03398	1.0
229.04971	0.8
231.02867	0.7
232.03575	0.4
235.02350	0.3
235.05756	0.4
235.07602	0.4
239.01797	0.3
244.03572	0.7
245.04390	10.7
246.04811	0.3
248.03093	0.2
249.03854	0.2
255.02861	1.4
259.02304	0.2
261.03973	0.2
263.05341	0.9
263.07230	0.7
272.03082	0.5
273.03793	9.2
274.03961	0.2
283.02353	0.3
290.04111	2.3
291.06915	0.7
301.03183	1.8
301.11719	0.4
302.05811	0.2
303.04248	0.2
304.04605	0.4
319.04422	100.0
320.04779	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	319.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
65.03932	0.7
67.01858	0.5
68.99780	4.3
69.00135	0.3
69.03419	0.4
69.49492	1.1
71.01371	0.1
79.01830	0.5
79.05479	0.4
81.03407	0.8
81.05791	0.3
81.07059	0.2
83.04965	0.2
83.44041	0.2
84.56425	0.2
91.05457	0.3
93.03400	0.4
95.01315	0.2
95.04953	0.3
95.62748	0.2
96.08138	1.0
97.02885	0.4
103.05422	0.3
105.07013	0.5
107.01295	0.3
107.04953	0.3
109.02864	2.6
111.00795	4.4
111.04429	0.7
115.05444	0.4
121.02861	0.5
121.06516	0.8
123.00813	0.2
123.04408	0.2
124.01566	0.2
124.02538	0.2
124.07584	5.1
125.02349	0.7
126.03111	0.5
127.03900	0.9
131.04906	0.2
133.02844	0.5
133.06496	0.4
135.04366	0.3
137.02324	4.1
139.03894	0.7
141.47664	0.2
143.03362	0.3
147.04366	0.8
149.02296	0.4
149.06033	0.2
152.00975	0.2
153.01816	24.4
154.02202	0.3
155.04869	0.2
161.02318	0.5
161.05937	0.9
163.03850	0.2
165.01822	5.6
166.02626	1.2
171.02975	0.3
171.04353	1.0
175.03925	0.5
177.05452	0.8
179.03371	3.2
180.02914	0.3
182.04544	0.2
183.02887	2.1
189.01819	0.3
189.05455	2.3
191.03358	0.2
193.01331	0.7
193.04988	0.3
195.02911	1.4
196.68657	0.2
199.03885	1.1
201.05609	0.2
203.03374	1.8
207.02834	1.0
207.06482	0.2
208.03665	0.3
209.04535	0.2
216.04112	0.5
217.04945	8.7
218.05501	0.2
219.02832	0.6
221.04440	0.9
227.03311	1.1
229.04947	0.7
231.02766	0.8
232.03651	0.4
233.04535	0.2
235.02319	0.5
235.06020	0.6
239.01891	0.3
244.03610	0.8
245.04436	9.5
249.03886	0.3
255.02899	1.1
262.04822	0.2
263.05518	0.7
272.03131	0.5
273.03909	8.5
274.04153	0.2
283.02429	0.4
290.04169	1.8
291.04938	0.2
301.03372	1.9
301.11871	0.4
319.04446	100.0
320.04779	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
50.23104	0.2
53.03938	0.4
55.01862	1.1
55.05503	0.7
64.50204	0.3
65.03918	0.8
67.05493	1.7
68.99788	3.0
69.03442	1.3
69.07050	1.2
71.01337	0.7
71.04964	0.4
71.50832	0.6
75.43513	0.3
79.05470	1.3
81.03410	1.6
81.07041	2.2
83.04962	0.8
83.08582	0.3
85.02884	0.6
85.06544	0.5
91.05476	1.4
93.03386	0.6
93.07034	1.8
95.01305	0.9
95.04979	1.7
95.08596	1.4
97.02877	0.8
97.06522	0.5
100.11225	0.3
103.05469	0.3
105.07019	1.7
107.01286	0.5
107.04943	0.5
107.08581	1.7
109.02863	1.5
109.06501	1.0
109.10133	1.0
110.03591	0.3
111.00812	0.8
111.04399	0.9
111.11760	0.4
115.05432	1.0
117.06985	0.3
119.04887	0.4
119.08578	1.3
119.24699	0.2
121.02854	2.0
121.06450	0.3
121.10112	1.2
123.00773	2.1
123.04436	1.4
123.07996	0.5
123.11649	0.4
125.02336	1.2
125.05022	0.3
125.09618	0.5
127.03915	1.0
131.08563	0.6
133.02817	0.6
133.06427	0.4
133.10110	0.9
135.04382	0.7
135.08020	0.8
137.02342	21.1
137.03403	1.6
137.09535	0.4
139.00241	0.6
139.03857	0.5
141.01761	0.4
143.03391	0.3
143.04910	0.8
143.08548	0.4
145.10088	0.5
147.04359	1.9
147.11647	0.6
147.34114	0.3
149.02341	0.9
149.06033	0.3
149.09607	0.4
150.03127	0.7
151.00229	0.5
151.07504	0.3
151.11186	0.5
153.01822	7.5
153.09018	0.3
155.04842	0.5
157.10146	0.4
159.11681	0.3
161.05952	1.2
161.09634	0.4
161.13261	0.4
163.03920	0.7
163.11218	0.5
165.01819	1.1
165.05453	0.3
169.01323	8.3
171.02994	0.4
171.04341	2.9
171.08121	0.3
173.13193	0.3
175.03828	1.3
175.11133	0.5
179.03406	0.9
181.01317	2.2
181.05019	0.3
183.02896	0.4
185.00800	0.5
189.05441	2.1
189.06981	0.4
193.05072	0.5
195.02835	0.6
199.03880	4.6
199.14755	0.3
203.03322	1.1
207.02841	0.4
211.02263	0.3
217.04938	4.1
217.06808	0.5
221.04410	0.4
227.03352	2.1
229.04854	0.5
231.02896	0.4
244.03743	0.4
245.04407	7.2
249.03790	0.5
255.02977	1.8
263.05444	1.0
263.07425	0.4
265.08414	0.4
273.03894	15.8
274.04315	0.5
283.02313	1.3
284.03128	0.3
285.14893	0.3
290.04141	1.0
291.06723	0.3
301.03412	12.4
301.11502	0.5
301.21576	0.9
302.03781	0.5
304.04959	0.5
319.04437	100.0
319.07465	3.6
319.22470	1.7
320.04688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01846	0.7
55.05497	0.6
57.03424	1.0
58.12661	0.4
61.02909	1.2
67.05502	0.5
69.03429	3.3
69.07056	0.6
71.04963	0.5
71.11526	0.9
73.02907	0.5
79.05457	0.5
81.03415	1.3
81.63892	0.5
82.06602	0.8
83.04977	0.4
83.08575	0.4
85.02438	0.5
85.02902	5.8
87.04475	0.4
91.03934	0.4
91.05454	0.5
93.07037	1.3
95.07346	0.5
95.08617	1.4
96.04492	3.1
96.08131	2.8
97.02888	2.2
97.05273	2.2
97.06519	1.5
99.04473	0.5
100.07607	1.0
108.08130	0.5
109.02839	0.5
109.06481	0.6
110.06035	6.4
110.09675	3.8
111.04433	0.4
111.08059	0.8
120.08102	0.9
121.06466	0.8
125.08368	1.0
126.09140	9.1
127.03899	1.7
128.10716	0.5
138.09135	21.2
139.03896	4.6
139.07465	0.9
142.54381	0.3
145.04984	0.6
156.10196	100.0
157.10547	2.5
163.03864	0.5
168.10196	1.2
180.10239	0.5
180.55159	0.4
191.03430	1.7
198.11249	1.2
222.11371	0.6
263.07028	0.8
273.05460	0.4
288.10623	1.1
291.06387	0.4
318.06964	0.4
318.15433	1.2
319.06094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2473
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
53.03933	0.6
53.28387	0.7
55.01855	1.1
55.05500	2.0
60.76895	0.6
65.03909	0.5
67.05501	4.9
69.03413	1.7
69.07067	3.0
69.38705	4.9
71.05000	1.5
74.29000	0.7
79.05487	9.8
81.03416	1.2
81.03889	0.5
81.07050	13.9
83.04977	6.1
83.08615	1.6
85.06542	0.7
91.05465	5.0
93.07042	9.3
94.07387	0.6
95.04958	3.7
95.08603	11.8
97.06523	94.3
97.10188	0.7
98.06832	1.0
103.05482	0.7
103.63898	0.6
105.07019	7.8
107.04945	1.3
107.08594	8.0
109.02829	1.3
109.06509	85.6
109.10141	6.1
110.06838	1.7
111.08054	0.8
117.07008	1.6
119.08574	7.8
121.02850	1.9
121.06502	2.4
121.10139	7.0
123.00767	0.6
123.04430	6.6
123.08061	8.6
123.11687	3.5
124.01558	1.6
125.02338	1.1
129.07042	1.5
131.04903	1.8
131.08560	2.9
133.10104	5.0
135.11731	3.6
137.02322	5.8
137.05975	1.1
137.09645	1.6
139.03845	0.6
141.05455	0.9
142.07706	0.6
143.08585	1.8
145.06537	0.6
145.10115	3.3
147.04451	0.6
147.08052	1.0
147.11653	4.1
149.09619	2.3
149.13274	3.5
151.03857	2.6
151.07498	0.5
157.06529	0.6
157.10106	1.7
158.10765	0.5
159.08095	0.7
159.11676	4.1
161.09615	1.5
161.13242	2.3
163.03891	1.6
163.11153	1.8
163.14740	0.9
167.03384	8.8
169.04916	0.6
169.06503	0.6
169.10132	1.1
171.11693	1.7
173.13303	3.1
175.11198	0.9
175.14839	2.3
177.12732	4.0
179.03358	3.1
183.11671	0.7
185.13242	2.1
187.07571	1.1
187.14764	1.4
189.12762	1.3
189.16365	1.1
191.17894	1.1
197.04408	1.5
197.13234	0.7
199.14778	1.8
200.04643	1.5
201.16393	1.2
203.14253	0.8
203.17931	3.7
211.07556	0.8
211.14735	1.6
213.16409	1.3
215.06992	3.4
215.17906	2.0
217.15797	0.9
217.19496	2.0
225.16322	0.9
228.04190	1.9
229.15800	1.1
229.19514	0.9
231.13916	0.8
233.07785	0.7
239.06973	0.8
239.17940	0.8
241.19434	2.2
243.06494	7.3
255.20985	2.2
256.03647	0.8
257.04300	1.6
261.07535	0.8
271.05917	4.7
273.03964	1.2
273.22101	3.3
274.04721	7.3
281.22574	8.1
288.06274	1.4
299.05475	2.1
299.12857	1.4
299.20139	1.5
299.23605	11.2
302.00534	1.9
302.04172	4.8
317.06522	100.0
317.21210	4.4
317.24692	58.3
318.06845	9.2
318.25000	1.9
336.15411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2472
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
51.19933	0.4
53.03938	0.5
53.77359	0.3
55.01868	0.9
55.05499	0.9
60.04520	2.3
64.84623	0.4
67.05500	4.1
69.07050	2.0
71.04998	1.8
77.40984	0.3
79.05488	6.8
79.05926	0.7
81.06592	0.8
81.07053	12.1
83.04979	5.9
83.08611	0.8
83.99155	0.4
91.05468	2.5
93.07040	5.8
95.04971	1.0
95.08000	0.4
95.08605	10.5
97.06526	100.0
97.10173	0.7
98.06865	1.6
105.07037	3.8
107.04947	0.8
107.08590	5.9
109.06512	93.4
109.10149	5.6
110.06849	1.4
111.08096	0.5
117.07019	1.0
119.08588	4.7
121.06530	1.9
121.10143	5.3
123.08064	8.7
123.11701	3.0
129.07002	0.7
131.08583	1.9
133.10129	4.3
134.08069	0.3
135.11678	3.4
137.09642	1.5
143.08572	1.0
145.10132	2.5
147.07922	0.5
147.11699	3.3
149.09619	1.6
149.13274	2.9
157.10106	1.2
159.11694	3.6
161.13269	2.4
163.11165	1.8
163.14813	1.3
169.10110	0.7
171.11693	1.5
173.13280	3.2
175.11247	0.5
175.14804	1.9
177.12721	4.7
177.16454	0.5
183.11678	0.5
185.13232	1.8
187.14824	2.6
189.12756	0.9
189.16371	2.1
191.14296	1.1
191.17953	1.3
197.13240	0.8
199.14838	1.4
201.16411	0.6
203.14391	0.6
203.17967	3.5
211.14767	1.7
213.16362	1.3
215.14233	0.4
215.17969	1.9
217.15862	0.5
217.19469	2.0
225.16385	1.0
227.18063	0.4
229.15880	0.9
229.19342	0.9
239.18053	0.7
241.19444	1.8
243.17369	0.3
252.18929	0.4
255.21082	3.5
273.22125	4.3
281.22617	9.3
282.22925	0.5
299.23700	11.7
299.27136	0.6
300.24063	0.6
317.06674	1.0
317.24741	74.0
318.25055	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	317.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03448	1.7
57.07065	1.0
61.02912	1.8
67.05495	2.4
69.03436	4.7
69.07082	0.9
69.44159	1.7
69.44552	5.3
73.02904	0.8
79.05479	4.8
81.03419	1.6
81.07054	100.0
82.07405	0.9
85.02903	32.0
86.03230	0.9
91.05475	1.1
93.07026	4.8
95.04942	0.8
95.08603	9.2
97.02873	4.4
99.04452	1.3
103.03930	1.0
105.07022	2.2
107.08604	2.0
107.47298	0.8
109.02879	3.9
109.10139	1.8
111.04431	1.6
119.08568	1.2
121.02855	1.4
121.10142	1.1
123.04427	3.2
124.01606	0.8
127.03921	5.9
129.05466	1.1
131.08571	2.6
133.04987	1.1
133.10065	1.0
135.11684	1.6
137.02382	3.4
137.03270	0.8
137.05988	1.0
137.13251	38.7
138.13632	1.3
143.08562	1.9
145.04935	7.3
145.10187	1.2
147.06573	1.2
147.11655	1.1
149.09592	1.1
151.03938	0.8
159.11633	0.9
161.09554	1.0
161.13229	1.4
163.03934	1.5
163.06036	6.9
165.05359	0.8
167.03410	5.7
173.13158	1.3
179.03380	1.8
197.04449	0.9
200.04686	0.9
203.14310	1.5
215.07053	2.0
243.06447	4.4
245.15532	1.3
263.16345	2.7
271.06082	2.5
274.04800	4.8
281.17444	2.5
299.09045	1.6
299.18579	1.3
302.04272	2.7
317.06546	73.2
317.19275	3.7
318.06973	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	317.1019
Annotation	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
53.03937	0.5
55.11190	0.3
57.07062	0.5
65.03925	0.9
67.05489	0.4
69.03413	0.7
69.49629	0.5
69.50041	1.5
70.06589	0.8
79.05479	0.8
80.02635	0.4
81.03397	0.6
88.07607	1.4
89.03927	1.7
93.03416	0.9
95.01323	0.7
95.04968	2.7
95.08675	0.3
97.06530	0.4
102.09179	0.8
107.04951	0.9
111.04440	1.1
117.03365	1.9
119.52523	0.3
121.02870	0.5
123.04416	2.2
125.05968	1.7
135.04425	4.6
137.26817	0.3
138.03122	3.8
145.02847	2.5
146.79039	0.3
151.03889	0.9
153.05490	1.1
157.08037	0.3
163.03894	16.7
166.02603	4.8
181.04948	100.0
182.05322	1.8
184.03671	3.0
199.06067	0.5
202.15825	0.3
256.26373	2.5
267.06543	0.5
275.09229	0.5
290.98642	0.3
299.09103	1.8
317.06665	2.7
317.10156	32.5
318.10574	0.6
318.29971	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	317.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03448	1.7
57.07065	1.0
61.02912	1.8
67.05495	2.4
69.03436	4.7
69.07082	0.9
69.44159	1.7
69.44552	5.3
73.02904	0.8
79.05479	4.8
81.03419	1.6
81.07054	100.0
82.07405	0.9
85.02903	32.0
86.03230	0.9
91.05475	1.1
93.07026	4.8
95.04942	0.8
95.08603	9.2
97.02873	4.4
99.04452	1.3
103.03930	1.0
105.07022	2.2
107.08604	2.0
107.47298	0.8
109.02879	3.9
109.10139	1.8
111.04431	1.6
119.08568	1.2
121.02855	1.4
121.10142	1.1
123.04427	3.2
124.01606	0.8
127.03921	5.9
129.05466	1.1
131.08571	2.6
133.04987	1.1
133.10065	1.0
135.11684	1.6
137.02382	3.4
137.03270	0.8
137.05988	1.0
137.13251	38.7
138.13632	1.3
143.08562	1.9
145.04935	7.3
145.10187	1.2
147.06573	1.2
147.11655	1.1
149.09592	1.1
151.03938	0.8
159.11633	0.9
161.09554	1.0
161.13229	1.4
163.03934	1.5
163.06036	6.9
165.05359	0.8
167.03410	5.7
173.13158	1.3
179.03380	1.8
197.04449	0.9
200.04686	0.9
203.14310	1.5
215.07053	2.0
243.06447	4.4
245.15532	1.3
263.16345	2.7
271.06082	2.5
274.04800	4.8
281.17444	2.5
299.09045	1.6
299.18579	1.3
302.04272	2.7
317.06546	73.2
317.19275	3.7
318.06973	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	317.0654
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.38070	0.2
50.55638	0.2
51.26076	0.2
51.81573	0.2
53.03898	0.2
54.61225	0.2
55.01840	0.3
55.05463	0.3
65.03907	0.2
67.05444	0.7
68.99752	0.4
69.03395	0.4
71.04898	0.2
71.50864	0.4
72.15829	0.2
79.05445	0.5
81.03355	0.6
81.06990	0.8
81.07417	0.2
83.01298	0.2
83.04902	0.3
91.05430	0.7
92.02562	0.7
93.03336	0.5
93.07007	0.6
95.04917	0.7
95.08552	0.5
97.06515	0.4
105.06970	0.9
107.04908	0.3
107.08509	0.6
109.02818	0.9
109.06448	0.3
109.10120	0.4
110.03665	1.4
119.04881	0.2
119.08508	0.7
121.02794	0.8
121.06451	0.4
121.10108	0.4
123.04453	1.1
123.08056	0.2
125.02303	0.3
126.03103	0.4
131.08475	0.5
133.10083	0.5
135.07979	0.4
137.02341	3.4
137.05978	1.4
137.09583	0.3
139.03909	1.0
143.08481	0.3
145.10049	0.4
147.04391	0.5
150.03107	0.2
151.03848	0.9
153.01823	3.8
157.10095	0.4
159.07982	0.2
159.11653	0.3
161.05884	0.4
161.09589	0.3
163.03883	1.4
163.07501	0.3
165.01817	0.4
165.05429	0.5
165.06926	0.4
165.08878	0.3
167.03346	0.8
167.07021	0.3
169.06470	0.4
171.04474	0.3
171.07942	0.3
175.04012	0.2
175.07489	0.4
175.14848	0.3
177.09019	0.3
179.03334	0.5
183.04395	0.2
186.38567	0.2
187.03880	0.3
189.09059	0.4
191.03493	0.3
193.01228	0.5
193.04858	0.3
197.05975	0.5
200.04695	1.3
201.05295	0.4
201.08949	0.2
203.03362	0.3
204.04272	1.0
215.06981	0.4
217.05029	1.0
218.05663	0.5
225.05444	0.3
225.09001	0.3
227.03391	0.3
228.04144	4.5
229.04939	2.8
229.08485	0.2
231.02834	0.5
243.06467	0.8
245.04431	2.4
246.05246	0.9
256.03830	1.0
257.00815	0.6
257.04370	2.1
257.08249	0.3
267.06372	0.4
271.05835	0.5
273.03879	1.3
274.04697	6.3
285.00665	0.4
285.03909	2.7
287.04526	0.3
299.09146	2.2
299.20007	0.3
301.03430	15.1
302.04184	38.1
303.04477	0.8
317.06540	100.0
317.20786	1.2
318.03418	0.2
318.06985	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	Rhamnetin
Peak:m/z	Relative Intensity
55.01868	0.3
60.39754	0.2
60.70674	0.2
65.03927	0.7
67.01852	0.5
69.03439	0.3
81.03416	0.7
93.03388	0.5
94.49911	0.3
95.04964	1.6
98.20736	0.6
109.02870	0.3
110.03657	0.3
111.04455	0.6
113.47531	0.2
119.04973	0.3
121.02871	1.9
123.00793	0.7
123.04422	6.6
124.01584	2.5
125.02335	1.1
127.03941	0.2
134.03613	0.8
137.02328	5.4
137.03355	0.4
141.05525	0.4
145.02858	0.4
145.08228	0.2
149.02324	0.4
150.03107	0.7
151.03879	2.2
155.04919	0.8
159.08073	0.5
163.03894	0.9
167.03398	9.2
169.06476	0.4
172.05148	0.5
179.03400	2.5
180.04222	0.4
183.04391	0.6
184.05202	0.6
187.07584	1.0
197.04443	1.1
197.06039	0.4
200.04625	1.6
211.03978	0.3
213.05504	0.2
215.07057	3.2
219.02907	0.4
228.04118	2.2
233.08017	0.4
242.05719	0.5
243.06528	7.6
256.03723	1.2
257.04483	1.1
261.07553	1.0
271.06024	3.9
273.03928	1.0
274.04718	8.8
284.03116	0.3
288.06277	1.0
299.05484	1.4
302.04211	4.6
317.06543	100.0
318.07086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92658	0.1
65.03934	0.6
68.99792	0.3
70.41522	0.6
81.03420	0.4
88.50979	0.2
93.03398	0.5
95.04962	1.6
96.51973	0.2
109.02843	0.4
110.03672	0.2
111.04408	0.2
121.02863	1.7
123.00794	0.5
123.04416	5.7
124.01559	1.7
125.02318	1.2
127.04002	0.2
134.03607	0.4
135.04408	0.4
137.02335	5.3
137.03412	0.4
139.03870	0.4
140.04666	0.2
141.05437	0.7
144.05716	0.3
145.02820	0.4
149.02321	0.6
150.03125	0.5
151.03893	2.0
155.04858	0.7
156.05695	0.2
159.08002	0.3
163.03889	0.8
167.03392	8.3
169.06424	0.2
176.42548	0.2
179.03383	3.1
180.04147	0.4
183.04414	0.7
184.05144	0.4
187.03905	0.4
187.07541	0.9
193.04950	0.4
197.04401	1.2
197.05846	0.2
200.04703	1.5
201.05400	0.2
205.08519	0.3
207.02945	0.3
209.04405	0.4
211.03879	0.4
213.05435	0.2
213.88792	0.2
215.07022	3.1
219.02916	0.2
219.06516	0.3
228.04121	2.2
233.08147	0.4
239.03329	0.2
242.05605	0.3
243.06512	7.4
253.05154	0.3
255.02911	0.2
256.03705	1.1
257.04379	0.9
261.07635	1.0
271.05975	3.8
273.03976	0.9
274.01697	0.4
274.04703	7.9
288.06241	1.3
289.07291	0.2
290.12534	0.2
299.05429	1.7
302.04190	4.4
317.06528	100.0
318.06836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68893	0.1
53.03948	0.1
55.01863	0.3
59.39916	0.1
62.33229	0.1
65.03926	0.5
67.01857	0.3
67.05494	0.2
71.03097	0.3
81.03401	0.5
93.03393	0.3
95.01350	0.1
95.04966	1.2
99.04446	0.2
105.03315	0.2
107.04963	0.2
109.02872	0.4
110.03638	0.1
111.04426	0.2
112.80065	0.1
121.02858	1.9
123.00822	0.6
123.04422	5.6
124.01556	1.8
125.02345	1.2
131.04897	0.2
134.03625	0.5
135.04384	0.4
137.02336	5.2
137.03387	0.3
139.03914	0.4
141.05498	0.5
144.05716	0.2
145.02827	0.3
149.02351	0.7
150.03090	0.4
151.03915	1.7
155.04906	0.5
159.08026	0.3
163.03955	0.9
167.03391	7.7
169.06430	0.2
172.05162	0.3
179.03383	3.1
180.04161	0.6
183.04391	0.5
184.05154	0.4
187.03908	0.3
187.07533	0.6
193.05061	0.2
197.04430	1.3
200.04675	1.4
201.05435	0.2
205.08507	0.2
207.02922	0.2
209.04428	0.4
212.04573	0.2
213.05513	0.3
215.07018	2.5
219.06454	0.3
221.04465	0.2
225.05550	0.2
227.06889	0.2
228.04189	1.8
229.04846	0.2
233.08054	0.5
242.05777	0.5
243.06514	7.5
244.06709	0.2
246.05188	0.2
253.04962	0.3
255.34885	0.1
256.03690	1.0
257.04443	0.9
259.05884	0.2
261.07559	1.3
271.06021	3.5
273.03888	1.1
274.04700	7.2
284.03259	0.2
288.03781	0.1
288.06311	1.2
289.06970	0.3
299.05432	1.5
302.04193	4.3
314.06760	0.1
317.06531	100.0
318.06833	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
51.02365	0.1
53.03956	0.1
55.01860	0.4
65.03946	0.6
67.01857	0.5
67.05499	0.2
68.99786	0.2
69.03441	0.2
69.42093	0.3
69.42518	0.5
81.03419	0.4
91.05474	0.2
91.13453	0.1
93.03395	0.8
95.04959	1.7
96.02107	0.2
96.74603	0.1
99.04482	0.1
105.03404	0.2
107.05011	0.2
109.02845	0.5
110.03690	0.1
111.04447	0.5
119.01280	0.1
121.02870	2.2
123.00803	0.6
123.04423	6.3
124.01566	2.2
124.05201	0.2
125.02346	1.3
125.05941	0.1
127.03871	0.2
127.17366	0.1
128.06194	0.2
134.03609	0.8
135.04395	0.5
137.02339	6.5
137.03381	0.4
139.03893	0.4
139.05467	0.1
141.05461	0.6
141.07123	0.1
144.05717	0.4
145.02856	0.5
145.06450	0.2
149.02332	0.7
150.03055	0.7
151.03902	2.2
155.04926	0.8
159.08043	0.3
162.59615	0.1
163.03896	1.1
165.01776	0.1
165.64897	0.1
167.03400	9.8
168.03775	0.2
169.06490	0.3
171.04491	0.1
171.08112	0.1
172.05188	0.4
179.03375	3.4
180.04185	0.6
183.04378	0.8
184.05225	0.5
185.04373	0.1
187.03937	0.3
187.07573	0.9
190.06148	0.1
191.03365	0.3
191.07033	0.2
193.04956	0.3
197.04442	1.2
197.06029	0.3
200.04672	1.7
200.69424	0.1
201.05421	0.3
205.08575	0.1
207.02890	0.3
208.03578	0.1
209.04471	0.4
211.03978	0.2
213.05458	0.2
215.07030	3.3
219.02881	0.4
219.06506	0.3
221.04463	0.2
225.05377	0.2
227.07016	0.2
228.04150	2.3
229.04955	0.2
232.03583	0.1
233.08011	0.5
239.03433	0.1
242.05885	0.5
243.06514	7.9
244.06862	0.2
245.04420	0.2
246.05302	0.2
253.04994	0.2
256.03708	1.0
257.04437	1.2
259.05945	0.2
261.07629	1.1
271.06018	3.8
273.03900	1.4
274.04712	9.0
275.05231	0.1
278.85257	0.1
284.03214	0.2
285.03818	0.1
288.06216	1.4
289.06970	0.3
299.05487	1.4
300.06006	0.1
302.04202	4.6
315.05072	0.1
317.06543	100.0
318.06888	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
55.01848	0.2
56.06461	0.1
57.09776	0.1
65.03929	0.4
69.03389	0.2
69.41934	1.4
69.42264	0.2
79.05454	0.2
81.03396	0.3
81.06680	0.2
81.07059	2.5
85.02895	0.4
86.33138	0.1
93.03398	0.7
95.04961	1.4
95.08567	0.2
97.10918	0.1
98.21495	0.3
98.96925	0.1
107.85006	0.1
109.02872	0.5
110.03632	0.1
111.04465	0.4
121.02871	1.7
121.76932	0.2
123.00780	0.4
123.04427	4.0
124.01574	1.4
125.02371	1.2
128.06154	0.2
134.03645	0.5
135.00603	0.2
135.04402	0.2
137.02335	4.8
137.03339	0.3
137.13240	1.1
139.03879	0.2
141.05475	0.3
144.05692	0.4
145.02821	0.4
149.02319	0.7
150.03101	0.4
151.03896	1.6
155.04886	0.6
159.08043	0.3
163.03905	0.9
163.06023	0.4
167.03398	7.2
169.06451	0.2
172.05148	0.2
173.02274	0.2
173.05943	0.2
179.03372	2.8
180.04164	0.5
183.04407	0.6
184.05113	0.2
185.04625	0.2
185.07961	0.2
187.03867	0.2
187.07530	1.0
191.03389	0.2
191.07199	0.2
193.05005	0.2
197.04407	1.2
200.04666	1.3
201.05597	0.2
205.08627	0.3
207.02811	0.2
209.04483	0.4
215.07028	2.6
219.02904	0.3
219.06448	0.3
228.04131	1.6
229.04883	0.3
233.08029	0.3
237.88878	0.2
242.05757	0.3
243.06523	6.9
246.05206	0.3
248.22003	0.2
256.03641	0.7
257.04391	1.0
261.07578	0.8
268.29285	0.2
271.06033	3.3
273.03864	1.0
274.04700	6.1
275.04996	0.2
284.02878	0.2
288.06265	1.2
289.07251	0.3
299.05438	1.5
302.04178	3.9
317.06534	100.0
318.06879	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.01864	0.2
62.64138	0.1
65.03938	0.5
66.90601	0.1
67.01847	0.3
67.05489	0.2
68.99787	0.1
69.03419	0.2
69.20469	0.1
69.39059	0.3
69.39460	0.5
78.14278	0.1
80.32944	0.1
81.03400	0.4
91.05470	0.2
93.03373	0.5
95.04385	0.1
95.04960	1.5
95.08556	0.1
99.04433	0.1
104.55109	0.1
105.03374	0.2
105.07036	0.1
107.04941	0.2
109.02892	0.6
110.03655	0.2
111.04440	0.4
119.04900	0.1
120.09130	0.1
120.10086	0.1
121.02863	1.7
123.00810	0.5
123.04423	5.4
124.01559	1.7
124.05215	0.1
124.19458	0.1
125.02364	1.1
127.03927	0.1
128.06177	0.1
129.06963	0.1
134.03641	0.5
135.04408	0.4
136.63416	0.1
137.02332	6.2
137.03358	0.4
137.05942	0.2
139.03886	0.2
139.05476	0.1
140.04774	0.1
141.05447	0.4
141.08192	0.1
144.05704	0.3
145.02824	0.5
149.02341	0.7
150.03102	0.4
151.03906	1.7
152.28630	0.1
153.01814	0.1
154.02669	0.1
155.04880	0.6
156.05643	0.1
159.08028	0.4
161.02264	0.1
163.03886	1.1
167.03392	7.9
169.06497	0.2
172.05223	0.3
173.05870	0.1
177.05396	0.1
179.03383	3.0
180.04214	0.6
183.04404	0.5
184.05144	0.4
187.03937	0.2
187.07535	0.7
191.03403	0.4
193.04964	0.3
197.04414	1.2
197.05980	0.1
200.04672	1.5
201.05409	0.3
205.08534	0.1
207.02901	0.2
209.04413	0.5
211.03951	0.2
213.05403	0.2
215.07019	3.1
216.07472	0.1
219.02875	0.2
219.06564	0.2
221.04591	0.1
225.05328	0.2
227.06972	0.1
228.04182	1.7
229.04912	0.2
233.08098	0.5
239.03433	0.1
242.05740	0.3
243.06511	7.3
244.06949	0.2
245.04359	0.2
246.05110	0.2
256.03671	0.9
257.04440	0.9
259.05951	0.1
260.06866	0.1
261.07568	1.0
271.06009	3.5
272.06342	0.2
273.03918	1.1
274.04706	7.5
275.05005	0.2
284.03159	0.3
285.03928	0.1
288.06210	1.3
289.07001	0.3
299.05542	1.5
299.08887	0.1
300.06125	0.2
302.01230	0.1
302.04193	4.3
317.06522	100.0
318.06900	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.02268	0.2
52.05182	0.2
52.29451	0.2
55.01852	0.2
57.96570	0.2
58.39538	0.2
65.03915	1.1
67.05484	0.4
68.99776	0.9
69.03407	0.3
69.07037	0.3
69.94354	1.0
71.43938	0.2
79.05476	0.4
81.03421	0.4
81.07052	2.5
85.02907	0.4
87.39385	0.2
89.24869	0.2
91.05463	0.4
92.02613	2.8
93.03417	3.0
93.07032	0.4
95.04971	0.4
95.08604	0.6
105.03337	0.3
105.07001	0.4
107.08577	0.3
109.02852	0.7
109.06558	0.3
109.10157	0.6
119.08588	0.3
121.02863	2.0
121.10115	0.4
122.03595	0.4
123.04433	0.7
124.01532	0.4
125.02395	0.3
126.03145	1.2
127.03918	0.3
131.04916	0.3
133.02771	0.4
133.10136	0.2
135.04387	0.4
137.02338	0.9
137.05984	0.5
137.13243	1.0
139.03851	2.0
145.04865	0.3
145.06451	0.3
147.04387	0.4
149.02315	0.3
150.03142	0.3
151.03900	1.7
153.01825	15.5
155.04832	0.4
163.03906	0.7
165.01828	1.0
166.02600	0.6
167.03374	0.8
173.05992	0.3
175.07588	0.2
179.03394	0.8
183.02875	0.5
187.03882	0.4
200.04668	1.0
201.05408	1.5
203.03386	1.3
215.06981	0.5
217.04918	2.5
218.05789	1.0
219.02885	0.5
228.04169	3.8
229.04947	6.1
231.02898	0.9
243.06493	0.9
245.04454	3.9
246.05215	2.9
256.03589	0.8
257.04431	4.7
258.05038	0.3
260.03171	0.7
261.07568	0.6
267.06393	0.3
271.06039	0.6
273.03894	3.6
274.04697	6.9
284.03156	0.7
285.00693	0.2
285.03903	7.1
285.07065	0.4
288.06207	0.5
299.05792	0.3
299.09067	0.4
299.20090	0.3
301.03400	0.4
302.00702	1.2
302.04175	22.2
303.04453	0.5
317.06531	100.0
317.21185	1.0
318.03403	0.4
318.06833	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.78473	0.1
55.05475	0.2
59.18557	0.1
65.03929	0.8
67.05479	0.3
68.99773	0.8
69.03414	0.2
69.39548	1.4
70.65842	0.1
81.03397	0.4
81.06998	0.6
86.80476	0.1
91.05424	0.4
92.02080	0.2
92.02612	2.9
93.03408	2.6
93.07001	0.3
95.04939	0.3
95.08545	0.6
98.21324	0.5
103.05415	0.2
105.06963	0.3
107.08585	0.2
109.02815	0.5
109.06462	0.2
109.10138	0.3
111.00737	0.5
117.06985	0.2
119.08527	0.3
120.02036	0.2
121.02861	2.2
123.04387	0.4
124.01550	0.2
126.03170	1.2
131.04889	0.2
131.08530	0.2
133.02776	0.3
133.06438	0.2
135.04384	0.3
135.87761	0.2
137.02333	0.7
137.05908	0.6
137.13246	0.9
139.02933	0.2
139.03900	1.6
145.02811	0.2
145.06450	0.3
145.10059	0.2
147.04352	0.2
149.02251	0.2
149.84288	0.1
150.03056	0.3
151.03920	1.4
151.05014	0.3
153.01820	16.6
154.02130	0.2
155.04787	0.2
161.05992	0.3
163.03838	0.5
165.01843	1.2
165.05490	0.2
166.02594	0.3
171.04370	0.2
173.05952	0.4
173.55463	0.2
177.01897	0.2
177.05411	0.5
179.03334	0.3
183.02863	0.4
183.04340	0.4
184.05075	0.2
187.03809	0.3
189.05423	0.5
190.02603	0.2
190.06236	0.3
197.13269	0.2
200.04630	0.8
201.05452	1.5
203.03363	1.8
204.04080	0.2
214.88945	0.2
217.04959	3.2
218.05687	1.0
219.02794	0.5
228.04144	3.8
229.04951	6.7
230.05447	0.2
231.02818	1.0
232.03691	0.2
239.03413	0.4
243.02881	0.2
243.06412	0.3
245.04453	3.8
246.01416	0.2
246.05238	3.0
247.02419	0.3
253.19916	0.2
256.03583	0.5
257.00720	0.3
257.04437	4.0
260.03058	0.7
261.07474	0.6
271.05933	0.6
273.03912	3.4
274.04709	7.4
284.03113	1.0
285.00458	0.5
285.03897	7.3
286.04575	0.4
288.06238	0.3
299.05615	0.2
299.09158	0.5
301.03326	0.4
302.04178	21.3
303.04477	0.4
317.06525	100.0
318.06952	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02818	0.4
65.63090	0.3
66.01082	0.5
67.05502	0.6
67.06414	0.4
68.99787	0.5
69.03419	1.0
69.07053	0.9
69.28815	0.4
69.81240	1.3
69.81647	0.7
72.23995	0.5
79.05475	0.8
81.03425	0.6
81.07059	3.3
85.02891	1.7
91.05473	1.5
92.02611	0.4
93.03345	0.4
93.07053	0.6
95.04971	0.5
95.08610	1.0
97.02911	0.4
104.45716	0.4
104.87900	0.4
105.07018	0.6
107.04955	0.5
107.08578	0.7
109.02867	0.9
109.06531	0.6
109.10143	0.9
110.03667	1.5
111.04457	0.4
117.07079	0.4
119.04919	0.5
119.08585	0.5
121.02831	0.4
121.06515	0.6
122.03587	0.4
123.04406	1.8
127.03889	0.6
129.06947	0.4
133.10219	0.4
137.02347	4.1
137.05969	3.7
137.09616	0.5
137.13283	1.1
139.03914	0.7
143.08633	0.5
147.04391	1.3
147.07950	0.4
149.06020	1.0
150.03049	0.5
151.03871	0.5
151.07523	1.8
153.01820	2.8
155.02258	0.6
163.03966	0.5
165.05467	1.2
166.02568	0.6
167.03348	0.5
175.07532	1.1
191.03458	0.4
193.01329	0.4
200.04778	1.9
200.69846	0.5
203.03453	0.6
204.04176	0.7
217.04941	0.8
221.36618	0.5
225.09158	0.5
228.04178	5.8
229.04997	2.3
239.06976	0.5
243.06520	0.6
245.04453	2.4
253.08864	0.6
256.03793	0.6
257.04330	2.2
271.06418	0.4
271.09726	1.5
273.03937	1.2
273.11154	0.7
274.04709	6.8
285.03864	1.9
289.03430	0.9
299.09482	0.7
299.12845	0.6
301.03400	18.2
302.04184	40.9
303.04520	1.0
317.06540	100.0
318.06967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.25918	0.3
52.40791	0.3
68.99774	0.4
69.85655	1.9
78.03340	0.3
88.46101	0.3
92.02630	0.6
98.20850	0.5
110.03651	1.1
121.02852	0.4
137.02347	3.1
137.03329	0.5
153.01820	1.2
155.78114	0.4
167.03409	0.7
179.03304	0.4
183.36554	0.3
193.01288	0.4
197.00011	0.5
200.04672	1.1
204.04211	1.0
217.02876	0.3
217.04887	0.6
222.93488	0.4
228.04166	4.3
229.04962	1.7
245.04437	1.4
246.05215	0.4
256.03519	0.8
257.04495	1.7
273.03918	1.1
274.04788	4.9
282.04630	0.4
285.03757	2.0
301.03424	15.7
302.04199	41.1
303.04495	1.4
317.06543	100.0
318.06918	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	317.0655
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.03954	0.2
55.01839	0.3
55.05505	0.3
57.03405	0.2
64.96807	0.2
65.03931	0.5
67.01879	0.3
67.05491	0.7
68.22039	0.2
68.99790	0.3
69.03419	0.6
69.07053	0.5
69.59264	1.4
79.05483	0.6
81.03408	0.6
81.07083	1.1
91.05476	0.8
93.03393	0.8
93.07034	0.9
95.04967	1.9
95.06162	0.3
95.08607	0.8
97.06508	0.3
99.04436	0.4
102.63058	0.2
103.05467	0.2
105.07046	1.2
107.04953	0.4
107.08600	0.7
109.02882	0.4
109.06516	0.5
109.10158	1.1
111.04430	0.5
111.08127	0.2
117.07005	0.3
119.08563	0.7
121.02858	1.9
121.06522	0.4
121.10146	0.5
123.00835	0.5
123.04428	5.4
124.01571	1.3
125.02329	1.6
127.03863	0.2
128.06207	0.3
129.06979	0.3
130.86649	0.2
131.04907	0.3
131.08543	0.5
133.10124	0.7
134.03658	0.5
135.04390	0.6
135.08026	0.3
135.11652	0.5
137.02348	4.9
137.03349	0.3
137.05936	0.2
137.09628	0.6
139.03860	0.5
141.05447	0.4
144.05643	0.3
145.02856	0.3
145.10152	0.4
147.11649	0.5
149.02325	0.5
149.09650	0.3
150.03104	0.3
151.03888	1.7
153.01881	1.0
155.04872	0.7
157.10030	0.2
159.07991	0.2
159.11665	0.4
161.05988	0.3
161.09683	0.3
163.03915	0.8
165.05583	0.2
167.03410	8.5
171.02869	0.2
173.05884	0.2
173.09619	0.3
175.11176	0.3
177.09149	0.2
179.03380	3.0
180.04115	0.5
183.04420	0.7
184.05244	0.4
185.05980	0.3
185.13249	0.3
187.07524	0.7
187.11143	0.3
189.80095	0.2
191.03285	0.3
191.07053	0.4
193.04919	0.3
197.04408	2.2
197.05885	0.2
200.04770	1.4
201.05502	0.3
205.08673	0.2
209.04451	0.5
211.03905	0.6
213.05475	0.2
215.07014	2.5
216.14030	0.2
219.02737	0.4
225.05495	0.4
228.04140	1.9
233.08188	0.4
239.03421	0.4
242.05658	0.3
243.06531	5.9
256.03592	0.7
257.04407	0.9
261.07520	0.8
267.06595	0.6
271.05997	3.6
273.03915	1.2
274.04724	7.2
281.18991	0.2
288.06232	1.3
289.07257	0.4
299.05524	1.5
299.20020	0.8
301.06073	0.4
302.00790	0.5
302.04129	4.2
302.07532	0.3
317.06537	100.0
317.21133	2.3
318.06915	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0292
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
52.77189	0.4
54.69004	0.4
55.05515	0.4
59.04990	0.7
62.46790	0.3
62.76778	0.4
67.05519	0.5
69.03422	0.9
70.63522	0.7
70.63880	0.9
71.07043	0.4
71.15476	0.4
79.05490	0.6
81.03410	0.8
81.07050	1.2
85.02908	0.7
87.04446	1.3
87.53469	0.4
91.05462	1.1
93.07041	0.8
95.04971	0.4
95.08602	1.1
95.57742	0.4
97.02906	0.5
97.06542	0.5
98.20876	0.4
107.08558	0.5
109.02850	0.7
109.06530	0.6
109.10158	0.6
115.05447	0.6
119.08578	0.7
121.10118	0.8
123.04428	0.9
129.06982	0.5
131.04930	0.7
131.08586	0.5
133.10136	0.5
135.04417	0.6
137.02370	1.3
137.06032	0.7
146.03615	0.6
147.04372	0.7
151.07553	0.5
153.01822	2.0
161.05927	0.4
162.03149	1.8
165.01886	1.0
165.05507	1.1
171.04425	0.6
173.02351	1.4
174.03105	0.9
175.07542	0.5
182.17595	0.4
187.03929	1.2
189.01834	1.1
190.02609	4.5
191.03371	0.7
199.03972	0.7
201.01750	2.3
202.02612	1.1
203.03386	0.6
215.03387	2.3
217.04993	1.1
218.02109	3.2
225.01817	1.9
228.00615	1.2
228.04265	1.6
229.01299	0.9
229.04942	0.6
230.02138	0.5
243.02901	4.3
245.04549	1.2
246.01627	12.4
255.99983	0.5
257.00809	7.6
257.04578	0.7
258.01633	1.5
261.04004	0.6
271.02405	4.4
273.04016	1.4
274.01245	0.9
274.04782	2.0
283.99527	0.7
285.00314	6.9
285.03571	0.8
286.01135	1.2
289.03430	2.4
299.01874	4.7
299.09344	1.1
301.03357	4.0
302.00644	74.3
302.04221	12.4
303.01050	1.8
317.02979	100.0
317.06631	26.8
318.03336	3.8
318.06943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.2
55.05458	0.2
67.05445	0.4
68.99750	0.4
69.03358	0.3
69.07008	0.3
70.52867	0.2
70.63933	0.6
70.64300	0.2
71.05681	0.2
74.71844	0.2
79.05457	0.4
81.03320	0.4
81.06982	0.5
89.03892	1.0
91.05400	0.6
92.02562	0.4
93.03344	0.3
93.06944	0.7
95.01225	0.3
95.04900	0.4
95.08555	0.4
103.05410	0.3
105.06937	0.7
107.04881	0.4
107.08523	0.5
109.02795	0.7
109.06424	0.4
109.10085	0.5
115.05367	0.3
117.03362	2.2
119.08538	0.3
121.02782	0.3
121.06413	0.4
121.10064	0.7
123.04369	0.4
123.07982	0.2
127.03858	0.2
131.04874	0.2
131.08479	0.4
133.10048	0.3
134.03534	0.4
135.04367	0.4
135.07953	0.3
137.02293	0.4
137.05881	0.6
137.09546	0.2
139.03830	0.4
145.02834	4.1
145.06404	0.2
145.10107	0.3
147.04343	0.2
149.09616	1.2
149.90778	0.2
151.03894	0.2
151.07422	0.2
153.01820	1.9
157.10088	0.2
159.04312	0.2
161.05952	0.3
161.09567	0.2
162.03156	1.2
163.03807	0.5
165.01775	0.4
165.05486	0.2
167.03319	0.2
171.04343	0.5
172.01468	0.2
173.02338	8.0
174.02892	0.3
175.11140	0.2
177.05484	0.2
177.09081	0.9
181.06384	0.2
182.06999	0.2
183.00728	0.6
185.09686	0.2
187.03801	0.5
187.07564	0.2
189.01678	0.2
190.00989	0.2
190.02600	3.6
191.03329	0.4
195.10159	2.0
199.03845	0.4
200.01030	0.3
200.04619	0.2
201.01814	17.5
202.02240	0.8
203.03346	0.3
205.01398	0.2
210.06778	0.2
211.00212	0.3
215.03302	0.5
217.04936	0.5
218.02090	3.9
218.05518	0.2
219.02792	0.4
225.01768	0.6
227.03360	0.5
228.00427	0.7
228.04036	0.5
229.01305	7.9
229.04890	0.7
230.01904	0.5
231.02826	0.3
238.99600	0.2
243.02873	0.8
243.06473	0.4
245.04451	0.6
246.01543	5.9
246.05307	0.3
247.02380	0.7
253.01353	0.2
256.00122	0.3
256.06924	0.4
257.00790	49.4
258.01120	1.6
271.02426	1.2
271.09933	0.6
272.07083	0.2
273.00275	0.2
273.03857	0.5
274.01041	2.0
274.04712	1.0
285.00275	55.3
286.00885	4.3
289.03262	0.4
299.01892	1.2
299.05136	0.4
299.09366	0.5
299.20084	0.3
301.03528	0.4
302.00607	20.4
302.04105	3.0
302.07520	0.9
303.00980	0.7
317.02942	100.0
317.06488	12.0
317.20917	0.9
318.03275	3.7
318.07373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.029
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.02339	0.2
53.03862	0.2
67.05424	0.4
67.46449	0.2
69.03354	0.2
71.04911	0.2
71.17812	0.6
79.05380	0.3
81.03304	0.7
81.03735	0.2
81.06932	1.0
85.02823	0.4
89.80389	0.2
91.05363	0.7
91.05869	0.2
93.06963	0.4
95.04884	0.4
95.08484	0.6
97.02750	0.2
97.06337	0.2
102.42366	0.2
103.05373	0.5
105.06908	0.7
107.04869	0.3
107.08464	0.7
109.02753	0.8
109.10037	0.6
111.04363	0.2
112.22159	0.2
115.05369	0.3
117.03278	0.2
119.08521	0.5
121.06427	0.3
121.10036	0.5
123.04320	0.7
127.03780	0.2
131.04880	0.5
131.08481	0.4
133.06430	0.3
133.09976	0.3
134.03499	0.2
135.08012	0.3
137.02223	0.6
137.05888	0.8
139.03816	0.4
143.04845	0.3
143.08453	0.2
145.02716	0.7
145.10062	0.4
147.04333	0.5
148.01428	0.2
149.09554	0.4
151.07463	0.3
153.01692	1.0
159.04289	0.4
161.05878	0.3
162.03160	1.3
163.03821	0.4
165.01859	1.0
165.05455	0.3
165.12756	0.2
171.04292	0.6
173.02280	1.2
173.13255	0.2
174.02994	0.9
177.05417	0.4
177.09035	0.4
183.02757	0.4
185.02238	0.3
187.03897	1.6
189.01743	0.8
189.05327	0.4
190.02625	4.0
195.10077	0.4
197.02312	0.3
199.03841	0.5
200.00905	0.4
201.00304	0.2
201.01834	2.6
202.02554	1.2
213.01524	0.3
215.03401	2.9
216.00420	0.3
217.01086	0.2
217.04933	1.4
218.02126	4.2
219.02658	0.3
225.01831	1.5
227.03369	0.9
228.00481	1.4
229.01395	1.4
230.01990	0.7
231.02756	0.3
233.04350	0.4
243.02908	5.1
245.04327	0.6
246.01591	11.0
247.02176	0.7
255.03003	0.3
255.99939	0.4
257.00812	8.9
258.01434	1.0
261.03888	0.9
270.99692	0.3
271.02368	3.8
271.20563	0.3
272.20187	0.2
273.00208	0.3
273.03928	1.5
274.01031	1.0
274.04459	0.3
283.99533	0.6
285.00302	3.7
286.01108	1.6
289.03403	1.8
299.01877	3.3
299.09137	0.4
300.02518	0.3
302.00571	59.2
303.00934	1.8
317.02936	100.0
317.20990	0.6
318.03262	3.0
318.07535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.93470	0.4
53.06731	0.5
55.05505	4.3
56.05037	4.2
57.03435	1.1
57.07079	1.7
58.02946	0.4
58.24942	0.5
60.04520	100.0
61.04835	0.6
62.30584	0.4
62.81296	0.4
67.05498	8.0
68.05032	0.8
69.07062	6.4
69.13694	0.4
70.06598	1.4
71.08620	0.9
72.04512	1.8
74.06084	1.9
79.05490	4.0
80.05020	0.7
81.07051	8.0
82.06583	1.1
83.04985	1.2
83.08601	3.6
87.04482	1.0
90.05554	1.3
91.05490	2.0
93.07037	3.6
94.06583	0.6
95.04984	0.9
95.08603	8.1
96.08140	0.8
97.06523	10.3
97.07156	0.5
97.10172	1.6
98.20730	1.1
100.07607	0.6
102.09254	0.6
105.07040	1.8
107.08575	2.4
109.06498	7.8
109.10155	2.9
110.06899	0.5
112.07605	0.6
114.09139	0.6
116.07112	0.6
117.07037	0.6
119.08593	2.1
121.10138	2.5
122.09657	0.5
123.08071	1.0
123.11688	1.3
133.10129	1.8
135.11707	1.4
137.13278	0.5
145.10126	0.8
147.11694	0.5
149.09676	0.6
161.13271	0.6
179.39336	0.4
212.23717	0.5
224.46167	0.5
227.30882	0.5
236.23682	0.6
250.25285	1.1
255.20923	0.7
256.26263	0.7
257.61707	0.5
262.25262	1.5
263.23672	0.6
280.26340	12.7
281.22662	0.5
281.26764	0.8
298.27408	12.6
299.23755	0.6
299.27536	0.6
316.28430	35.0
317.06406	4.3
317.24768	5.4
317.28784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01853	1.3
55.05500	0.5
56.96567	7.0
57.03443	3.1
61.02922	4.0
65.03945	0.5
66.06833	0.5
67.05492	2.8
69.03430	8.9
70.03749	0.5
70.06580	0.5
70.87070	1.6
71.04979	2.2
73.02911	3.6
79.05485	0.6
81.03415	3.0
81.07029	1.3
83.04974	0.5
84.96024	0.6
85.02902	17.9
86.03239	0.4
87.04469	3.0
91.03955	1.8
91.05470	1.5
93.05765	0.9
97.02314	0.8
97.02894	9.2
98.03195	0.8
98.97589	7.6
99.04441	2.6
101.00877	0.8
106.02827	0.6
106.06595	0.8
108.08109	9.4
109.02877	2.6
110.01301	0.6
110.97537	1.2
111.04443	0.5
112.99148	2.5
115.02404	0.9
116.98605	2.9
118.06538	1.8
119.01900	3.3
119.12874	0.5
122.07127	0.6
123.06825	1.0
124.03867	0.7
124.07612	1.9
127.03941	4.2
128.98567	1.4
131.00217	2.7
131.01903	1.6
133.03403	1.6
134.03622	0.6
134.06053	0.7
134.99651	1.4
136.07576	100.0
137.05978	0.6
137.07878	1.4
138.05550	0.5
138.09143	1.3
143.00125	0.6
143.01920	1.2
145.01700	1.2
145.03510	1.5
145.04961	1.8
146.99632	0.9
147.05013	0.8
148.03830	0.7
149.01228	1.7
149.02907	1.3
152.07033	2.0
153.01889	0.8
153.06584	0.8
154.03865	0.9
154.04991	1.8
154.06046	1.6
154.08627	52.4
155.01872	1.4
155.09009	1.2
157.03468	0.7
158.99681	1.3
159.03279	0.7
159.04939	0.6
161.01193	0.7
161.02921	1.8
161.05545	0.9
161.06667	0.7
162.72610	0.5
163.02737	1.0
163.04010	0.9
164.07034	1.6
165.07425	2.5
168.03625	1.9
169.04424	1.3
170.04994	0.8
171.05013	1.1
173.01283	1.0
173.02960	2.3
175.02858	0.9
175.04477	1.1
177.00775	1.8
177.04160	3.8
177.05704	0.9
178.04918	5.0
178.55061	0.5
184.04829	0.5
185.02914	0.7
187.02818	1.1
187.04417	1.1
188.06117	0.6
188.08212	0.5
188.96986	0.5
189.00639	0.9
189.06058	0.6
189.55843	0.6
191.02359	1.1
191.03917	0.7
193.03751	1.2
195.07050	0.6
197.06625	2.0
201.06065	0.6
203.02322	1.1
203.04121	0.7
203.07462	0.5
206.06979	1.9
209.02834	0.5
211.04736	0.7
213.05360	0.7
215.07707	0.6
217.03917	0.6
219.01778	3.5
219.07137	0.6
221.05038	2.8
224.08014	2.6
226.06012	1.3
227.06805	0.6
231.07220	0.9
235.06525	2.7
235.08316	0.8
235.56749	0.5
236.07260	1.6
237.02826	4.7
245.04964	0.6
249.06273	1.1
250.07013	1.0
256.04892	0.7
258.06863	0.7
259.06598	3.3
274.05942	1.3
285.00406	0.5
295.07065	0.9
298.12698	0.7
302.05585	0.8
305.10715	0.6
316.13947	51.0
316.59396	0.7
317.08255	0.8
317.14447	0.9
321.10406	0.7
327.78088	0.6
337.08102	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	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85879	0.5
53.03936	0.9
55.05513	0.7
57.03417	0.6
61.02905	1.6
67.05495	0.9
69.03423	6.8
70.06564	0.8
71.04988	0.7
71.36976	0.5
71.51376	0.7
72.08159	0.5
73.02904	0.8
79.01839	0.8
79.05466	1.7
80.05038	0.6
80.29069	0.5
81.03404	2.4
81.07052	4.3
82.03739	0.6
82.06557	2.0
85.02899	9.0
86.09688	1.6
87.04469	0.7
91.05482	4.5
93.05763	1.9
93.07021	1.0
94.06572	0.7
95.04939	1.2
95.08591	0.6
96.08135	2.8
97.02914	3.6
99.04452	0.8
99.78811	0.5
101.02345	0.6
106.98616	0.6
107.05006	0.6
108.08109	27.8
109.02854	3.7
109.06471	0.9
110.06090	0.7
111.04488	0.5
112.07540	0.7
116.04977	0.9
118.06503	0.7
118.57561	0.5
119.04911	0.9
122.06058	0.7
123.04410	5.9
123.06807	2.0
124.07586	20.1
126.09142	0.7
127.03896	1.9
128.04259	0.6
136.07568	13.4
137.05960	2.0
138.09146	0.9
139.03885	1.2
144.10298	0.5
145.04970	0.9
147.04376	1.2
149.05965	0.6
151.03865	0.8
153.01819	10.3
154.02142	11.2
154.08614	100.0
155.02283	0.6
155.08963	0.9
161.05881	0.9
162.05496	27.4
163.03925	1.3
165.05470	8.1
166.08647	1.2
178.08635	0.8
183.08005	0.7
187.03943	0.6
190.04973	5.9
196.09718	0.7
207.08095	1.3
235.07603	0.8
253.08696	1.1
270.08994	1.0
273.07816	0.8
287.10114	1.5
298.06192	0.8
299.09262	1.2
301.03748	0.6
301.07159	2.4
302.03995	1.2
316.09015	6.2
316.14395	0.9
317.02942	1.3
317.06583	5.4
317.09821	1.0
317.12402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03941	0.6
55.01859	1.0
55.05513	0.5
57.16001	0.3
67.05502	1.7
68.11970	0.3
69.07062	1.7
69.15009	0.3
69.76825	0.6
69.77229	1.5
71.04995	0.6
74.11265	0.3
79.05485	7.1
81.07053	7.7
83.04971	3.5
83.08613	0.4
85.06532	2.8
91.05461	2.5
93.07039	2.8
95.04973	0.7
95.08601	4.4
97.06523	100.0
98.06867	1.5
105.07020	3.0
107.04946	0.6
107.08593	2.4
109.06508	85.7
109.10136	1.5
110.06830	1.6
111.08078	0.5
117.07019	0.7
119.08566	2.8
121.06484	0.7
121.10135	2.4
123.08069	7.1
123.11728	0.4
129.07007	0.5
131.08539	2.4
133.10110	2.7
135.11684	1.2
137.09602	1.0
143.08540	1.1
145.10107	3.2
147.11714	1.6
149.09572	0.6
149.13213	0.5
151.11194	0.5
155.08624	0.3
157.10121	1.2
159.11659	2.3
161.13235	1.5
163.11198	1.4
165.12776	0.4
168.09355	0.3
169.10120	0.5
171.11678	2.1
173.09566	0.3
173.13234	2.2
175.14790	0.9
177.12701	1.6
183.11661	0.7
185.13232	0.6
187.14813	0.9
189.12755	1.0
189.16335	0.5
191.14334	0.5
197.13358	0.5
198.13747	0.4
199.14732	0.8
201.16359	0.9
209.13275	0.5
211.14911	0.5
213.16370	1.1
215.14342	0.5
215.17926	1.4
219.17500	0.5
223.14801	0.8
225.16336	0.4
227.17899	0.5
229.15857	0.4
231.17400	0.4
233.19005	0.8
239.17923	1.4
241.15912	0.8
245.18921	0.7
245.32782	0.3
253.19405	0.9
255.21016	1.8
273.22131	1.0
278.16818	0.3
279.21008	2.4
297.22079	7.9
298.22525	0.4
300.06454	0.6
315.08633	0.9
315.23160	53.3
316.23462	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05484	4.3
56.05262	2.4
57.03430	6.0
59.04998	5.0
61.02942	3.1
67.05495	6.1
69.03435	12.0
69.94638	13.4
71.04978	3.9
72.48021	2.3
72.79719	2.3
73.02905	4.0
79.05482	6.1
81.03400	11.1
81.07040	8.1
83.04971	3.4
85.02907	32.0
91.05492	12.5
93.07040	85.5
95.04959	7.3
95.08636	12.8
97.02877	8.6
98.20834	2.9
98.21368	5.9
103.03953	5.9
105.07034	22.7
107.01307	3.3
107.04899	2.7
107.08588	13.8
109.02866	9.2
109.06483	4.6
111.04425	4.1
115.03895	3.4
117.06976	4.4
119.08562	13.5
121.10135	5.3
125.02390	6.1
125.57859	2.1
127.03886	9.5
131.08545	13.9
132.91801	2.5
133.10147	6.4
135.08035	3.8
135.11659	9.0
137.02313	3.4
137.09596	2.2
142.07764	4.5
142.22775	2.5
143.03387	6.7
143.08549	15.0
145.04980	3.6
145.10106	7.3
147.08037	5.4
147.11707	4.0
149.09651	3.0
151.11128	3.7
153.01826	100.0
153.02895	4.5
154.02057	2.8
155.08446	2.7
157.10104	7.2
157.98947	2.4
159.08020	6.0
159.11615	5.5
161.09608	6.6
163.11247	4.3
165.12759	4.0
167.08485	5.0
171.02913	3.3
177.12766	3.8
185.09650	2.7
195.02852	9.2
203.10643	4.2
221.11667	11.7
239.12762	3.7
283.09729	3.5
315.05014	11.7
315.08417	4.3
315.12009	3.8
315.18323	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01858	3.4
55.05498	3.7
57.03431	4.6
57.07068	1.3
59.04989	3.3
60.00289	1.2
61.02898	1.7
63.21906	1.3
67.05490	4.3
69.03424	18.9
69.07063	2.1
70.06522	1.3
70.37495	5.5
71.04990	3.4
73.02907	1.4
79.01839	3.9
79.05486	5.3
81.03426	10.5
81.07055	7.6
83.04987	1.7
84.04498	1.7
85.02909	32.2
89.11295	1.5
91.05478	14.4
93.07047	100.0
95.04955	5.7
95.08611	13.8
96.04486	2.6
97.02888	10.8
97.06513	1.7
103.03889	3.3
105.04582	1.4
105.07022	17.6
107.01285	2.3
107.04973	2.9
107.08587	20.1
109.02883	15.5
109.06495	2.6
109.10124	2.5
111.04414	1.7
111.08089	1.7
114.05505	5.9
115.05416	2.1
117.07020	3.6
119.08604	10.1
121.02911	1.4
121.10161	2.2
123.08076	1.2
123.11697	1.7
125.02366	2.5
125.09605	3.4
127.03929	12.1
128.06229	2.5
129.05443	2.0
129.07001	4.2
131.04832	1.8
131.08559	11.3
133.10115	4.7
135.04410	1.7
135.08060	3.1
135.11691	15.2
137.05986	2.5
138.06105	1.4
138.09129	7.0
141.06882	1.7
142.07777	2.8
143.03357	5.2
143.08554	12.6
145.04962	3.9
145.10144	8.5
147.08087	1.9
147.11676	4.7
149.05952	1.6
149.09659	2.9
151.11157	1.7
153.01831	84.6
153.02893	3.4
153.07045	1.4
153.12692	2.7
154.02138	3.6
154.51141	1.4
155.08572	2.4
157.10083	6.8
159.08130	3.0
159.11728	7.0
159.12935	1.4
161.06039	2.0
161.09625	3.9
163.03874	1.9
163.05981	1.6
163.07449	1.3
163.11188	1.8
165.07068	1.7
165.12741	3.3
167.08549	4.8
171.02818	3.8
173.09557	2.1
175.03908	2.0
175.07610	1.6
175.11127	1.8
177.12784	3.4
185.09601	3.0
191.06934	1.9
191.41754	1.2
195.02943	1.6
203.10689	2.4
205.05038	1.7
221.11734	7.3
239.12759	4.1
243.13980	1.8
279.15933	1.5
283.09573	2.3
297.17538	4.2
300.02551	1.5
315.04730	2.7
315.08041	2.9
315.12436	3.7
315.18665	1.7
316.11807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55545	0.8
53.03938	2.5
55.01866	4.6
55.05507	12.3
56.99191	0.9
57.03432	6.8
57.79596	1.1
59.05002	1.1
61.02918	4.5
64.64988	0.9
67.05517	2.4
69.03426	15.2
69.07061	5.1
70.75976	1.2
70.76307	1.7
71.01352	2.2
71.04993	12.8
72.23200	0.8
73.02900	5.8
78.56756	0.9
79.01851	3.7
79.05488	7.9
81.03416	13.7
81.07051	10.6
81.77641	0.9
83.04993	3.2
85.02902	18.1
85.06527	1.2
87.04482	1.7
91.05457	8.3
93.07027	13.0
95.04943	6.2
95.08614	8.1
96.08131	3.7
97.02885	9.4
97.06525	3.7
99.04451	2.4
103.03945	2.1
103.05482	1.6
105.07022	14.9
107.01312	2.8
107.04916	2.6
107.08586	13.6
109.02873	10.9
109.06514	9.3
109.10149	6.1
110.09639	1.5
111.04426	2.9
111.08104	1.8
115.03914	3.0
115.05450	1.5
117.07021	3.6
118.06554	1.0
119.04995	1.1
119.07318	4.9
119.08566	10.0
121.06485	2.6
121.10144	4.9
123.04425	3.0
123.08112	5.5
124.07585	24.4
125.02306	5.4
125.05869	1.3
127.03911	7.7
127.11180	1.8
129.05409	1.5
129.07010	1.1
131.04927	1.8
131.08569	6.9
133.04958	6.5
133.06493	3.7
133.10120	2.1
135.08069	2.9
135.11688	4.3
137.05980	2.8
137.09604	2.1
138.09131	20.2
139.11212	1.5
143.03386	9.0
143.08586	3.7
145.06493	1.5
145.10123	5.5
147.08031	7.3
147.11679	3.3
149.09610	4.0
151.03894	2.7
151.07555	1.4
151.11183	4.1
153.01822	100.0
153.02847	4.1
153.12744	3.5
154.02159	3.5
155.08562	1.7
159.08057	2.3
159.11656	2.3
159.69002	1.1
161.09686	1.4
161.13206	1.2
163.03882	2.5
163.07582	1.7
163.11200	3.7
165.00104	1.0
165.07088	1.2
165.12724	16.5
171.02876	5.0
171.07961	1.5
171.11670	1.8
173.09613	6.0
173.13327	1.8
175.04022	1.5
175.07536	1.5
177.12692	6.4
187.11153	1.1
189.12785	3.2
191.03421	2.0
191.10638	2.0
193.08559	2.5
193.12112	1.0
195.13751	1.6
201.12729	1.3
216.10136	1.0
219.13809	2.7
231.13855	1.5
243.13776	2.0
251.06757	1.1
261.14935	4.1
262.10773	1.6
269.12717	1.0
270.13495	1.1
279.15948	3.6
287.09991	1.3
297.06146	4.4
297.17276	1.3
298.12979	2.2
300.11914	1.1
315.01465	1.1
315.05057	2.0
315.09067	1.5
315.13370	3.5
315.18210	3.0
316.13931	33.5
316.17642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	4'-Hydroxy-2',4,6'-trimethoxychalcone
Peak:m/z	Relative Intensity
53.38056	0.4
54.42764	0.4
55.01854	0.5
57.07073	0.7
65.03925	0.9
67.05489	1.1
69.03426	0.7
69.07043	0.7
71.52690	0.6
75.12979	0.4
79.05483	1.9
81.07041	1.6
83.04978	0.5
83.89400	0.4
87.20780	0.4
91.05463	1.0
93.03385	0.6
93.07044	1.0
94.04177	0.5
95.01308	1.2
95.04953	2.5
95.08590	1.2
97.06532	3.5
103.05460	0.9
105.07020	1.9
107.04918	0.7
107.08585	1.4
109.02868	0.5
109.06506	3.7
109.10120	0.5
111.04441	1.7
118.04179	0.6
119.08552	1.3
121.02837	2.9
121.06491	1.2
121.10133	0.6
123.04421	0.8
123.08064	0.5
125.05984	2.3
128.34555	0.4
131.04877	0.4
131.08528	0.8
133.06474	6.8
133.10136	0.8
138.03123	3.8
143.08517	0.6
145.10181	0.7
147.11694	0.5
151.03897	1.2
151.07536	0.5
153.01772	0.7
153.05423	0.6
159.11667	0.9
161.05974	13.0
166.02573	3.7
167.03206	0.5
171.11676	0.4
177.05342	0.4
181.04939	100.0
182.05278	1.3
184.03659	4.7
201.05539	0.5
213.08780	0.4
229.05029	2.8
230.05182	0.4
241.19293	0.4
243.06505	0.5
257.04446	7.3
269.22580	0.5
270.05185	0.4
271.06033	5.1
272.06842	3.0
273.11188	0.5
285.03894	3.1
299.05502	10.2
300.06256	35.4
301.06497	1.2
314.34116	2.7
315.08557	48.7
315.12231	33.2
315.22937	2.9
315.26422	0.7
315.34381	2.9
316.08902	2.6
316.12592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
58.14455	0.3
69.46249	1.5
69.46672	1.0
70.79617	0.3
90.03925	0.3
94.04179	0.4
95.01313	0.7
98.20766	0.6
108.05700	0.4
110.83090	0.3
111.04427	0.4
121.02851	4.0
135.04417	0.5
140.87306	0.3
151.03876	0.5
172.42778	0.3
173.05957	0.6
183.04294	0.4
194.20068	0.3
197.05922	0.3
198.06694	0.4
201.05441	1.3
213.05345	0.6
215.03435	0.6
215.07185	0.4
224.03111	0.3
226.06299	0.4
227.07071	0.9
229.04936	7.1
229.07085	0.5
233.04482	0.5
241.04779	0.6
243.06516	1.1
251.49915	0.4
253.05090	0.3
257.04443	13.4
269.04437	0.4
270.05243	0.7
271.05988	6.5
272.06805	5.9
278.03461	0.4
283.05920	0.6
284.03183	0.6
285.03922	6.1
299.05487	20.3
300.06262	69.9
301.06567	1.5
315.08597	100.0
316.08887	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	315.0861
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03882	0.8
55.05444	1.1
67.05420	1.4
67.05751	0.5
68.99750	1.0
69.03382	0.7
69.06982	0.7
70.15939	1.1
77.03875	0.5
79.05417	1.2
81.03332	1.3
81.06976	1.0
91.05385	2.8
93.06954	1.5
93.16763	0.4
95.04876	1.8
95.08509	1.4
97.06458	0.7
103.05368	1.7
105.03385	10.5
105.07032	5.5
107.04923	0.5
107.08504	1.5
109.02817	0.9
109.06469	1.0
109.10101	1.0
111.04350	0.7
115.05438	2.8
117.06959	0.9
119.04944	0.4
119.08504	0.9
121.02796	0.5
121.06425	0.4
121.10088	1.1
123.08019	0.5
127.03889	0.5
129.06970	0.6
131.04922	4.1
131.08525	0.9
133.06374	0.7
133.10048	0.8
135.08017	1.0
137.05864	0.6
139.00246	4.7
141.06877	0.5
143.03246	0.4
143.04877	1.0
145.06404	0.5
145.10059	0.9
147.04272	0.5
147.11659	0.7
149.09554	0.7
153.01833	5.7
153.06844	0.4
155.04903	0.9
157.06413	1.6
157.10056	1.4
159.04333	1.4
159.11639	0.9
161.05878	0.6
161.09543	0.7
163.03844	0.8
163.11063	0.6
165.06912	0.7
167.06970	1.2
173.05913	0.4
173.09619	0.5
173.13289	0.6
175.03905	0.9
175.11031	0.6
181.04971	4.4
181.06407	0.8
181.10043	0.4
182.07050	0.5
183.04303	1.1
187.03905	2.5
193.04909	0.9
195.08144	0.7
201.05536	2.0
201.12671	0.6
201.16222	0.5
209.05981	0.9
211.03857	1.1
211.07660	0.6
213.05479	0.4
215.03329	0.6
219.17366	0.7
221.23677	0.4
223.07353	0.4
226.06230	0.6
229.04926	0.5
239.03412	0.5
241.08565	0.8
250.08449	0.4
253.04683	0.6
255.06389	0.5
255.10222	1.6
257.04434	45.3
258.04782	0.7
269.05267	0.8
269.08069	9.3
269.11588	0.8
269.18906	0.6
283.09567	2.0
285.03915	88.6
286.04291	1.7
297.07523	4.3
297.11096	1.0
297.18552	1.1
297.21954	0.6
299.05499	1.4
300.06274	38.7
315.08618	100.0
315.19080	2.0
315.23141	1.7
316.09039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01857	1.4
55.05485	1.8
57.23704	0.7
59.08716	0.6
62.30433	0.6
63.58739	0.8
65.03927	2.2
67.05487	0.9
69.07030	0.8
70.48082	0.8
71.51236	1.3
74.06746	0.7
79.05450	2.4
81.07020	2.3
91.05469	5.5
93.07030	1.6
95.04939	2.0
95.08598	1.7
97.06531	1.5
101.81907	0.7
103.05408	1.1
105.06982	2.4
107.04922	2.5
107.08569	1.4
109.06526	0.9
109.10116	0.8
110.64193	0.7
115.05438	1.9
117.06984	2.0
119.08557	1.5
121.02867	34.3
121.06450	2.8
121.10126	1.5
122.35150	0.7
128.06178	3.6
129.06949	2.0
131.04904	0.7
133.10074	1.4
135.04391	1.7
135.07964	0.8
141.06996	1.0
143.08522	1.5
145.06479	1.7
145.10107	1.6
147.04485	1.0
147.08041	1.1
149.02339	5.9
152.06207	5.2
153.01782	2.3
153.07005	10.6
155.04884	0.7
155.08521	1.1
157.06459	3.2
157.10132	1.1
159.11676	1.2
163.07495	0.9
165.07021	3.4
167.03389	0.7
168.05629	1.6
169.06468	1.4
171.04358	0.7
171.08012	5.3
173.13281	1.3
175.03894	1.7
181.05038	1.9
181.06465	29.7
182.06972	0.8
184.05141	1.3
185.05946	2.3
191.04872	0.8
191.10689	0.8
197.06029	0.8
199.03876	2.3
199.07538	6.4
209.05963	17.2
209.07916	1.0
210.06705	2.8
211.07553	0.8
212.04726	0.9
213.05428	11.3
226.06160	1.3
227.03348	3.3
227.07024	32.9
229.04890	0.7
237.05475	13.7
239.07007	1.5
241.04976	6.6
243.06506	1.8
245.04541	1.0
253.05132	0.9
255.06519	100.0
256.07062	4.3
257.04526	1.0
259.06076	2.2
265.05005	8.1
266.05560	0.9
269.08002	1.8
271.06012	1.3
272.06772	19.5
273.07294	1.3
283.06042	14.9
297.07599	4.1
297.18521	0.9
299.11115	0.9
300.02829	1.4
300.06281	24.7
315.05389	3.7
315.08618	69.4
315.19489	2.7
315.23306	2.1
316.09262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0853
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.23576	0.4
55.01851	0.4
55.05491	0.8
67.05481	1.0
68.64371	0.4
69.07040	0.6
71.51131	0.5
77.65511	0.4
79.05458	0.9
81.07005	1.2
83.08591	0.5
86.40193	0.4
91.05437	1.5
93.06998	1.2
95.08583	1.0
99.00780	1.1
103.05429	0.8
105.07019	2.1
107.04926	0.7
107.08583	0.8
107.50428	0.5
109.06487	0.6
109.10106	0.6
112.01578	1.1
119.04905	0.5
119.08543	1.0
121.02827	1.0
121.10063	1.1
123.04359	0.8
127.00226	1.0
131.04904	0.5
131.08510	0.8
133.06468	3.0
133.10059	1.0
134.07230	1.4
135.04343	1.9
135.07974	0.6
137.05948	1.0
140.00961	0.6
143.08508	0.6
145.06454	0.6
145.10068	1.1
147.07990	0.5
153.01874	2.0
153.05415	0.5
155.08485	0.5
157.10100	0.6
159.11717	0.7
159.42650	0.4
161.05923	1.5
161.09686	0.5
161.13228	0.5
163.07506	0.6
168.00539	4.5
171.11633	0.6
173.13223	0.5
174.06744	1.0
175.03841	0.9
181.04932	3.3
181.06377	0.6
185.05904	0.5
186.01576	4.6
198.06776	0.8
201.05463	0.8
209.05988	4.7
210.22166	0.6
216.07637	0.5
219.06531	0.4
226.06306	0.5
227.07060	0.6
229.04945	1.3
243.06641	0.6
248.06860	1.4
251.07147	0.5
254.05711	1.1
255.10101	0.5
257.04446	5.8
271.05933	2.3
272.06720	1.6
283.06067	0.4
283.09540	0.7
285.04080	2.1
299.05530	3.3
299.10956	0.5
300.06259	97.3
301.06650	1.5
307.44974	0.4
312.83554	0.4
314.04218	0.9
314.29062	0.5
315.08600	100.0
315.19281	1.5
315.23126	1.3
316.08936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
61.88331	0.2
68.99802	0.2
69.40174	2.0
78.43565	0.2
85.08389	0.2
91.05473	0.6
95.08595	0.2
98.20798	0.4
105.07045	0.5
107.04964	1.6
107.08626	0.3
108.02096	0.2
115.05434	0.3
118.04164	0.6
119.04916	1.2
119.08555	0.3
120.05722	3.1
121.02876	1.4
124.01561	1.0
131.08548	0.2
136.01549	0.5
139.00264	0.9
144.52194	0.2
145.10136	0.3
149.09550	0.3
151.00214	1.2
152.01044	0.9
153.01822	1.9
154.02629	0.2
161.06038	0.3
165.01855	0.9
166.02615	0.3
166.99771	0.3
170.02121	0.5
179.03416	0.5
181.01302	0.9
181.04979	0.5
182.02156	0.4
197.05989	0.4
198.01614	2.0
207.02797	0.2
224.04652	0.3
226.06201	0.3
242.05823	0.7
243.06480	0.3
248.19870	0.2
254.05606	1.9
255.06491	0.7
257.04477	1.8
265.04996	0.3
269.04489	0.5
270.05298	2.0
271.06003	36.3
272.06421	0.6
281.04398	0.9
282.05206	2.3
283.06000	7.2
284.06656	0.3
285.03873	2.2
286.04715	4.7
287.05371	0.5
297.03885	2.0
299.05490	39.0
300.06262	26.9
300.09885	0.5
301.06662	0.5
315.08603	100.0
316.09058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.35225	0.2
52.64588	0.2
53.57927	0.2
55.05513	0.3
57.07076	0.2
60.04528	0.3
65.83272	0.2
67.01851	0.2
67.05502	0.8
69.03423	0.4
69.07076	0.4
69.42629	1.8
69.67216	0.2
70.09901	0.3
79.05489	0.9
81.03425	0.4
81.07053	1.0
85.06557	0.3
91.05466	1.2
93.07053	1.2
95.04985	0.6
95.08607	0.6
97.02901	0.3
97.06544	0.3
97.10143	0.3
103.05485	0.6
105.03381	0.4
105.07021	1.4
107.08627	0.9
109.02894	0.6
109.06514	0.5
109.10160	0.7
115.05445	0.4
117.07021	0.5
117.88432	0.2
119.08580	0.7
121.06573	0.4
121.10146	0.5
123.04467	0.3
123.08063	0.5
131.04933	0.7
131.08597	0.8
133.06461	0.3
133.10138	0.5
135.08098	0.4
139.00276	0.4
143.08568	0.4
145.10106	0.3
147.11665	0.5
149.09650	0.4
153.01819	3.3
157.10097	0.4
159.11673	0.6
161.05991	0.7
163.03900	0.3
163.07617	0.3
165.06921	0.3
169.10173	0.2
171.07944	0.2
171.11714	0.4
173.09653	0.4
173.13199	0.6
174.10287	0.3
175.03867	0.3
178.02577	0.3
181.04903	0.4
185.13235	0.3
185.66096	0.3
187.03900	0.3
195.08095	0.5
200.84117	0.3
225.05515	0.3
240.08017	0.3
241.04944	0.3
241.08563	0.3
242.05740	3.7
253.04974	1.2
254.05772	1.5
255.06639	0.4
255.10078	0.6
257.04416	4.5
269.04453	0.6
270.05176	0.7
271.06006	15.6
272.06329	0.4
282.35654	0.3
283.06335	0.5
283.09689	1.4
285.03915	9.9
286.04715	4.9
286.07767	0.4
294.42871	0.2
297.03967	2.1
297.18515	0.4
297.21951	0.4
299.05499	57.7
300.02731	0.4
300.06247	11.2
315.08612	100.0
315.23157	1.0
316.08978	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	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.02382	0.1
56.96534	0.1
67.05478	0.2
68.99774	0.9
69.03413	0.1
69.81544	0.5
71.32052	0.1
77.03951	0.1
79.05466	0.1
81.03410	0.1
81.07032	0.2
83.08600	0.1
85.02923	0.1
88.59099	0.1
91.05492	0.6
93.07009	0.2
95.04937	0.3
95.08589	0.4
97.10181	0.1
98.97584	0.2
103.05470	0.6
105.03381	4.5
105.07015	0.2
106.04279	0.1
107.08548	0.1
108.05738	0.1
109.02837	0.2
109.10168	0.1
115.05433	0.4
117.07002	0.3
119.04915	0.1
119.08582	0.2
121.10142	0.2
128.06190	0.1
129.07010	0.2
131.04924	3.6
131.08586	0.1
133.06470	0.2
133.10094	0.2
133.35976	0.1
135.04326	0.1
135.08095	0.1
137.09576	0.1
139.00247	4.5
139.01334	0.2
139.11200	0.1
142.01465	0.1
143.04852	0.2
143.08601	0.2
145.02893	0.1
145.06464	0.4
145.10077	0.1
151.11063	0.1
153.01808	0.5
155.04913	0.8
157.01343	0.2
157.06483	1.4
157.10086	0.1
159.04390	1.4
159.08020	0.1
161.05972	0.3
161.09663	0.1
169.02859	0.2
171.04338	0.1
173.05972	0.3
177.05481	0.3
183.04420	1.3
184.05176	0.2
185.00789	0.1
185.05951	0.1
187.03909	2.6
195.08133	0.1
201.05457	1.9
205.04875	0.1
211.03905	0.5
212.04657	0.4
215.03358	1.0
229.05066	0.6
255.06516	0.3
257.04431	42.8
258.04691	0.8
271.06042	0.2
272.06848	0.1
283.05914	0.1
283.09671	0.2
285.03909	83.5
286.04294	1.5
297.18768	0.1
299.05457	0.5
300.06265	34.8
301.06659	0.8
315.08594	100.0
316.08972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02378	0.6
52.24608	0.2
53.03943	1.1
55.01861	0.4
55.05511	0.3
57.03426	0.7
61.67627	0.2
67.05476	0.2
69.03426	5.3
69.07030	0.2
71.04997	0.5
71.42671	0.4
73.50976	0.2
79.01486	0.2
79.01850	5.5
81.03418	7.1
85.02901	5.8
87.00820	0.3
91.05485	0.3
93.07017	0.3
97.02888	2.2
99.04440	0.6
107.01317	3.0
107.08563	0.3
109.02880	5.9
119.08581	0.3
125.02340	3.8
125.03185	0.4
127.03919	5.7
133.10095	0.2
137.05934	0.2
143.03389	7.9
151.04019	0.3
153.01826	100.0
153.02850	4.4
154.02139	1.3
163.03883	0.2
171.02893	5.5
171.04280	0.5
191.03427	0.5
269.15314	0.3
283.09610	0.5
285.03857	0.3
297.06073	3.0
315.07175	1.0
315.12320	0.5
315.19617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03941	0.7
55.01862	1.2
55.05509	0.5
56.96345	0.4
56.96570	4.1
57.03425	1.7
60.83340	0.4
61.02914	1.1
64.67649	0.3
67.05476	0.5
69.03429	7.8
70.03772	0.4
70.06771	0.8
71.05000	0.7
73.02906	1.2
79.01852	5.3
79.05479	0.7
81.03417	9.8
81.07058	0.6
83.04990	0.5
84.08160	0.4
84.96020	0.7
85.02906	7.9
86.06065	0.4
87.04475	1.0
91.05478	1.4
97.02895	9.0
98.03202	1.9
98.21477	0.6
98.97575	4.7
99.04422	1.2
101.00834	0.6
103.05479	0.5
107.01305	2.4
107.06091	0.7
108.08104	2.9
109.02872	6.7
109.08443	2.1
110.97547	0.6
116.98618	3.9
119.01904	1.4
119.04954	0.7
119.08611	0.4
121.02822	0.5
122.07160	0.6
125.02364	4.3
125.85564	0.4
127.03908	6.6
131.01921	0.8
131.04913	0.5
133.03482	0.7
134.05989	1.1
134.99673	2.2
135.04451	0.9
135.05533	1.4
136.06200	5.5
136.07536	3.2
137.05894	2.1
137.06602	2.0
137.07825	0.7
143.01842	0.6
143.02261	0.7
143.03391	7.8
144.01993	0.5
145.03592	0.5
145.04956	1.0
146.99698	0.9
147.04356	1.9
152.07062	1.9
153.01830	100.0
153.02835	3.7
153.06435	4.4
153.07616	1.0
153.11142	0.4
154.02161	1.2
154.08640	1.5
158.01239	0.4
158.99663	1.0
159.03282	1.2
159.07626	0.4
161.01271	0.7
161.02948	1.3
162.03072	0.5
163.02731	0.7
163.03870	1.9
163.07442	0.6
163.08702	0.9
164.07068	13.0
171.02884	4.9
171.05107	0.5
173.02992	0.6
174.97610	0.5
175.04060	0.7
177.00787	1.0
177.04266	0.7
179.06931	0.5
181.09766	0.7
186.11635	0.5
189.05960	0.4
190.95480	0.6
195.07742	0.8
199.04285	0.5
203.02342	1.0
203.04076	0.7
205.03807	1.0
208.04895	0.9
213.02571	0.5
213.05838	0.6
217.05545	0.6
219.01846	0.5
223.01164	0.5
226.05951	0.4
237.02943	1.2
251.09563	0.6
255.03191	0.9
255.09906	0.9
267.03799	0.4
269.08173	0.4
290.97116	0.7
292.06989	1.9
297.06082	4.5
297.10953	1.5
315.01434	0.4
315.07504	3.5
315.12439	7.2
316.14020	0.5
329.16916	0.4
333.08417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
51.24791	0.3
53.03928	1.1
55.01859	1.3
55.05497	0.9
57.03435	1.7
60.73827	0.3
61.02906	0.6
67.05484	1.0
68.99770	0.4
69.03426	5.3
69.07074	0.5
70.15039	1.3
71.01334	0.4
71.04991	1.8
73.02876	0.4
75.19783	0.3
79.01846	4.7
79.05486	0.8
81.03414	7.9
81.07039	1.4
83.80968	0.3
85.02903	6.6
91.05466	1.1
93.07034	1.4
95.04997	0.5
95.08594	0.9
97.02881	3.4
97.06503	0.5
99.04453	0.7
105.07032	2.3
107.01304	2.2
107.08566	1.4
109.02879	6.6
109.06495	0.9
109.10134	0.4
115.05496	0.3
115.73470	0.3
117.07006	0.8
119.08579	1.1
121.06479	0.4
121.10148	0.5
123.00815	0.3
123.08067	0.4
125.02326	4.2
125.09608	0.4
127.03915	6.4
131.04932	0.4
131.08591	0.8
133.10149	0.5
135.08047	0.5
135.11700	0.8
137.02245	0.4
137.05933	0.5
137.09636	0.4
143.03378	8.0
143.08557	0.8
145.10158	0.6
147.08031	1.2
147.11661	0.5
149.09587	0.5
151.03928	0.5
151.11197	0.4
153.01819	100.0
153.12718	0.5
154.02165	1.1
159.08028	0.5
159.11696	0.4
160.07544	0.5
161.09586	0.4
163.11179	0.4
165.12741	1.3
171.02882	5.0
173.09604	0.6
173.13219	0.5
175.03854	0.4
189.12671	0.5
191.03500	0.3
195.02899	2.2
219.13879	0.4
234.93077	0.3
279.15927	0.4
283.09488	0.5
285.00314	0.4
297.06091	2.9
297.12186	1.5
297.17029	0.4
298.70447	0.3
300.02524	1.1
300.05997	0.4
310.46304	0.3
315.05054	1.8
315.08463	0.5
315.13486	0.4
315.19547	0.3
337.13080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02373	0.5
53.00313	0.2
53.03936	0.7
55.01862	0.4
57.03440	1.0
57.03675	0.2
67.05498	0.2
68.99770	0.2
69.03436	2.1
71.04980	0.3
71.43479	0.2
73.02905	0.4
74.37911	0.1
75.08251	0.2
75.29195	0.2
79.01413	0.3
79.01853	4.5
79.05494	0.3
81.03414	3.4
81.07068	0.2
83.50233	0.2
83.68513	0.2
85.02901	2.8
91.05481	0.4
93.07037	1.5
95.08605	0.5
97.02893	1.8
98.21197	0.2
99.04454	1.0
105.07031	0.9
107.01323	1.7
107.08577	0.7
109.02859	2.3
111.04457	0.2
119.08552	0.3
123.00758	0.3
125.02346	3.8
125.09636	0.3
127.03920	2.7
131.08542	0.2
135.11690	0.3
143.03394	7.5
143.08510	0.5
153.01826	100.0
153.02849	4.4
154.02155	1.1
171.02866	1.8
173.09735	0.2
173.33211	0.2
183.02994	0.2
195.02844	1.3
203.11072	0.2
209.95485	0.2
237.09027	0.2
245.61580	0.2
255.05031	0.3
297.06058	0.9
300.06149	0.2
315.07022	1.9
315.12299	0.4
315.19260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73915	0.6
55.01871	11.0
58.06572	1.7
58.59992	0.6
65.03934	0.8
68.05004	1.8
68.42155	0.6
69.21867	6.9
69.68100	0.6
70.06590	25.4
81.03407	0.8
84.04504	27.9
88.03958	0.9
89.41545	0.7
91.05453	0.7
94.06517	2.4
96.04489	48.6
97.04796	1.2
97.65412	0.6
99.06186	0.6
99.52421	0.6
101.36766	0.6
101.48618	0.7
102.05540	9.1
107.04930	0.7
109.02846	1.8
110.40327	0.7
114.05526	42.1
121.02863	30.3
122.06037	0.8
129.06966	0.9
131.04878	1.2
138.04501	0.8
138.05472	4.5
139.05444	1.1
140.07047	4.0
141.06979	1.0
153.01819	2.7
153.07037	1.6
155.08546	1.7
155.83295	0.7
157.06490	3.2
165.06952	4.6
167.04929	0.9
169.06378	0.7
175.04001	1.5
181.06471	2.9
183.07994	3.9
185.06018	3.5
189.05487	0.8
193.06493	1.8
195.08054	0.9
197.05971	1.1
209.06004	3.5
211.07553	12.6
213.05453	100.0
214.05794	5.0
215.07112	0.7
221.05959	4.8
222.06641	2.5
222.08864	1.0
223.07521	1.9
224.07106	1.8
224.10550	1.0
227.07037	1.8
232.07518	0.7
234.08997	1.2
237.05486	6.9
237.07669	1.3
238.06252	1.1
239.03383	0.9
239.07031	20.9
240.10141	0.9
241.08691	1.0
242.08110	11.6
250.08592	4.0
252.10204	13.9
257.04367	1.6
265.04993	8.8
268.06024	0.7
268.09647	4.4
270.11234	13.1
278.08148	7.0
283.05963	5.2
286.07220	1.0
296.09171	43.2
297.09457	1.5
314.10242	35.5
314.13763	1.3
315.10239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01856	0.6
55.05505	0.6
56.53328	0.3
56.96557	2.6
57.03448	1.8
57.07059	0.7
61.01145	1.2
61.02918	1.1
61.91986	0.4
65.03935	0.5
67.05488	1.3
69.03431	6.4
70.02067	1.6
70.06595	1.8
71.04987	1.1
72.08160	0.4
73.02911	1.3
75.50494	0.3
79.01846	0.9
79.05443	0.6
80.05061	0.5
81.03423	3.8
81.07056	0.7
83.04971	0.7
84.40181	0.3
84.96020	0.4
85.02905	6.2
86.70832	0.4
86.99062	0.4
87.04458	0.5
89.06009	0.4
91.05467	0.5
95.06089	0.5
97.02893	45.8
98.03243	0.4
98.21436	0.5
98.97571	3.5
99.04459	1.0
106.06527	0.8
107.04966	0.6
108.08118	20.8
109.02877	2.8
111.04456	0.4
112.07622	0.3
116.07106	0.6
116.98636	2.5
119.01861	1.1
123.06821	1.7
124.03853	0.4
124.07581	3.0
125.02344	1.1
127.03947	1.8
128.98610	0.6
131.01848	0.5
134.06020	2.7
134.09637	2.0
134.99652	1.4
135.05411	0.5
136.06184	100.0
136.07504	5.3
137.02927	0.4
137.04608	0.9
137.05774	0.4
137.06613	0.5
137.08287	0.6
138.05476	0.4
138.11568	0.4
139.03908	0.4
143.01648	2.3
143.03401	1.6
145.04967	0.4
146.99675	0.7
148.06151	0.7
150.05516	0.4
152.07059	12.8
152.09041	0.6
152.09511	0.5
152.10628	2.4
153.01830	19.5
154.08611	1.2
155.04675	0.5
158.99660	0.7
161.01224	0.6
161.02803	1.7
162.96074	0.4
163.03911	0.4
164.05725	5.9
164.07008	1.0
168.06573	0.4
169.03288	0.4
171.02922	0.8
175.04425	0.5
177.00748	0.8
178.07253	2.9
179.03719	1.5
185.06520	0.4
187.04463	0.5
190.95341	0.4
191.55585	0.4
205.03777	0.4
211.00858	0.3
217.05499	0.4
219.01830	1.1
220.08221	0.4
232.96552	0.5
237.02754	0.8
248.99100	0.6
250.09444	0.5
278.07016	0.5
296.08200	3.8
296.11169	0.8
297.05948	1.0
298.10629	0.8
302.78012	0.4
314.09094	6.8
314.12396	16.2
314.16110	0.8
314.27615	0.5
315.07355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.8
57.03162	1.4
57.03433	20.8
57.07072	72.0
58.07404	1.1
64.06139	0.7
67.05496	14.4
69.07070	11.3
71.08628	44.0
77.96609	0.9
79.05456	2.4
81.06594	1.3
81.07055	18.5
83.04970	1.0
83.08610	15.1
85.06515	0.9
85.10178	25.3
89.06027	4.0
91.05467	1.3
93.07037	3.7
95.08601	27.8
97.10162	7.8
99.11710	1.5
103.05451	1.1
103.07574	2.4
105.06995	4.5
107.08590	3.9
109.10145	13.3
111.11693	2.1
119.08587	3.0
121.10112	2.6
123.11716	6.5
131.04953	1.6
131.08571	2.7
133.10095	1.1
137.13278	1.7
143.08591	0.9
145.10159	2.5
147.11766	1.3
149.13245	1.6
151.14798	1.0
157.10172	1.2
159.11691	2.4
161.13266	3.9
171.11716	1.4
173.13260	0.9
175.03850	1.6
185.13326	2.0
201.16409	1.3
239.23682	5.2
257.24731	7.0
267.21063	1.4
274.61441	0.9
313.21518	5.4
313.27362	100.0
313.36581	3.9
314.10883	1.0
314.27786	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.24075	0.7
54.40982	0.7
55.05266	1.2
55.05508	10.3
57.03158	1.2
57.03436	19.6
57.07074	63.1
67.05502	12.7
69.07068	12.6
69.49608	3.0
69.50029	2.2
71.04974	1.1
71.08630	45.0
71.61260	0.7
72.65289	0.7
73.65024	0.8
79.05478	1.9
81.07051	17.2
83.08617	13.8
85.10178	22.3
89.06026	3.2
93.07006	1.8
95.08604	25.3
97.10162	5.9
98.20903	1.6
101.05992	0.8
101.56123	0.8
103.05457	1.4
103.07591	1.5
106.15706	0.8
107.08576	1.0
109.10155	10.6
111.08114	0.9
111.11702	1.7
116.04809	0.7
123.11697	5.2
123.47179	0.9
125.13228	0.9
125.76585	0.8
131.04982	0.7
135.04437	0.8
136.73698	0.7
137.13246	1.9
163.07590	1.4
165.16406	0.8
175.03899	2.3
190.49696	0.7
192.32286	0.7
209.04472	0.9
221.22574	1.0
226.06259	0.7
239.23640	5.2
241.08681	1.4
257.24722	7.5
272.55521	0.7
298.10703	1.2
313.27365	100.0
314.13724	1.7
314.27737	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	313.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07550	1.3
55.01847	1.5
55.05512	8.9
57.07047	3.8
59.04995	2.3
66.83794	1.7
67.05186	1.9
67.05501	24.9
69.06744	1.2
69.07071	10.0
69.79549	3.2
69.79964	7.4
71.04974	1.7
71.29133	1.3
79.05494	18.1
81.07057	37.2
83.08613	3.9
85.06532	8.9
85.91294	1.4
88.51084	1.5
91.05486	14.8
93.07036	32.1
95.04927	2.6
95.08603	69.1
96.08976	1.5
97.06492	2.0
97.10164	3.3
98.20787	3.1
99.08060	1.5
103.05474	3.5
105.06332	1.5
105.07029	31.2
107.08586	41.4
109.06521	2.0
109.10152	33.9
111.08109	1.8
111.11703	1.6
113.09653	2.7
117.06994	6.3
117.53941	1.3
119.08581	30.8
121.06490	2.0
121.09347	2.0
121.10143	28.6
123.11717	13.9
125.09649	2.4
128.06227	2.9
129.06976	4.4
130.07794	2.4
131.04916	4.1
131.08580	15.0
133.10118	27.5
135.04396	1.9
135.08011	2.1
135.11673	16.6
137.05948	2.6
137.13268	3.0
141.06970	2.4
142.07782	3.6
143.08534	7.3
145.10123	24.9
147.11670	22.4
149.13234	14.3
151.07529	1.8
151.11142	1.5
155.08542	2.2
156.09254	1.9
157.10124	9.0
158.10899	1.8
159.11690	24.1
161.13258	32.7
163.07492	2.0
163.14844	13.8
169.10146	2.4
171.11700	12.1
173.13268	14.1
175.03947	2.2
175.13307	2.8
175.14803	33.4
176.15054	1.5
177.16380	12.3
183.11699	3.4
185.13243	12.5
187.14827	14.9
189.12685	3.2
189.16371	26.0
190.16837	1.4
191.14278	3.0
191.17819	1.9
197.13210	4.6
199.14792	10.2
200.83832	1.6
201.16348	14.2
203.14281	3.2
203.17859	4.1
205.15866	5.1
207.02829	4.2
209.04451	10.6
211.14865	4.7
213.16382	7.1
215.17958	7.4
217.15909	3.3
219.17389	1.7
225.16327	3.8
227.17928	3.3
229.19489	3.9
231.17422	2.5
233.50464	1.7
239.17953	6.5
241.08389	1.9
253.19446	2.6
255.21136	13.8
257.19000	1.5
266.20111	1.8
267.21011	2.8
269.22571	6.0
283.24072	3.1
285.22327	3.5
285.25726	54.5
286.26031	4.5
295.20761	3.2
295.24170	50.1
296.24353	3.7
298.10660	5.1
299.11444	2.2
313.10699	3.4
313.21811	5.5
313.25214	100.0
314.14005	8.4
314.25598	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64973	1.8
55.01863	1.4
57.03420	3.9
60.84698	1.4
61.02911	7.0
65.80566	1.5
68.70928	1.7
68.75336	1.8
69.03426	18.5
69.07064	10.8
69.61094	1.4
71.04964	2.2
71.26385	2.9
73.02903	4.0
81.03407	6.9
85.02901	100.0
87.04431	2.3
87.08112	16.7
91.03944	4.7
93.03368	1.7
97.02879	24.3
99.04436	4.2
105.07003	1.5
109.02872	7.4
127.03906	24.5
130.76031	1.5
133.08632	3.3
145.04953	41.9
150.05489	3.0
151.03897	14.1
163.06049	9.3
204.10176	2.3
210.05789	3.0
250.10974	3.0
273.73642	1.7
312.05515	1.6
312.18005	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	312.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01891	0.2
56.05036	0.2
56.96568	1.2
57.03434	0.5
61.02929	0.8
62.47777	0.1
65.87774	0.1
69.03427	2.0
71.04978	0.6
71.12791	0.3
73.02905	0.8
74.06107	0.2
81.03404	0.8
81.36732	0.2
84.08141	0.2
84.96032	0.2
85.02903	3.8
86.06119	0.2
86.09674	0.2
87.04463	0.6
92.02477	0.2
97.02888	2.0
98.97563	1.7
99.04449	0.4
108.05598	0.7
108.08092	0.3
109.02872	0.4
109.05124	0.5
115.03894	0.2
116.98623	1.0
117.05748	0.2
119.01904	0.3
123.06839	0.2
127.03903	1.0
128.98611	0.3
131.01877	0.3
132.08115	0.8
133.03505	0.3
133.05066	7.1
134.99660	0.5
136.07571	0.5
137.05911	0.1
140.02127	0.2
145.04997	0.8
150.07745	100.0
151.06042	0.2
151.08191	1.1
152.07039	0.2
153.01813	0.8
157.03453	0.3
161.02904	0.2
167.07074	0.2
170.00000	0.2
173.03009	0.2
177.00774	0.3
180.18634	0.2
189.06056	0.2
203.04004	0.2
213.34743	0.2
216.98611	0.3
219.01888	0.5
221.05035	0.2
234.99702	0.6
237.02788	0.3
268.20087	0.2
279.09039	0.2
295.07166	0.2
303.01254	0.3
312.13037	14.0
313.13535	0.4
330.07166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1228
Annotation	(-)-Ushinsunine beta-N-oxide
Peak:m/z	Relative Intensity
55.05496	0.5
56.05031	0.3
56.41490	0.2
56.96558	0.3
63.95807	0.3
65.03929	0.6
67.05486	0.8
68.05022	0.5
69.26417	0.5
69.26818	2.4
72.04518	1.4
74.06063	0.3
79.05495	0.5
80.05011	1.7
81.05763	0.4
82.06551	0.3
91.05490	1.6
93.05743	1.0
93.07045	0.4
94.06559	4.5
95.04951	0.4
95.08594	0.3
96.08134	0.6
98.21538	0.5
103.05460	2.1
105.03411	0.6
105.61947	0.3
106.06531	1.4
108.08098	1.1
110.06017	0.5
110.09685	2.8
112.07610	0.8
115.05458	0.4
117.05785	0.5
117.06995	0.4
118.06509	1.1
119.04927	1.1
120.08098	1.9
121.02850	3.8
122.05991	1.2
122.09646	0.5
124.07569	1.1
130.06540	0.4
131.04924	0.6
132.08046	0.9
132.46384	0.3
132.82306	0.3
133.02858	0.3
134.58282	0.3
136.07541	0.7
137.08363	1.7
138.09128	11.2
141.06976	0.3
144.08098	0.4
145.02759	0.3
145.06516	1.3
146.09561	0.5
147.04404	6.3
149.02328	2.6
150.09129	0.7
152.06172	0.4
153.07014	0.5
156.89478	0.3
159.04387	0.3
165.06976	1.2
167.07248	0.4
167.08498	0.3
171.04442	0.4
173.02316	0.4
173.06000	1.9
175.03902	14.3
176.04312	0.3
177.06851	0.5
178.07776	0.3
179.08508	0.5
181.06450	0.9
183.04366	0.3
183.08141	0.3
184.07523	0.4
191.07213	0.7
192.08038	1.1
193.06500	0.5
194.09650	0.5
195.08127	1.3
196.07506	0.4
197.05963	0.7
199.03838	0.3
201.05486	1.7
204.08090	0.9
205.06439	0.4
208.07494	0.7
209.05952	0.9
209.08350	0.6
210.09177	1.5
211.07655	0.5
212.05183	0.3
212.06924	1.5
213.05412	0.4
220.07578	3.7
220.11220	0.5
221.06070	0.5
221.08261	0.9
222.09117	1.0
223.07533	1.3
224.06929	0.7
225.05385	0.5
225.07652	0.6
226.06447	0.4
226.08626	0.4
227.06944	0.4
232.07489	0.7
233.06110	0.4
233.08366	1.3
234.09052	0.5
235.06223	0.6
235.09862	0.3
236.06906	1.9
237.07843	1.2
238.08604	3.9
239.07040	0.6
239.09247	0.3
240.06535	3.6
240.10173	0.7
241.08603	1.3
244.52339	0.3
247.06187	0.4
248.07030	3.5
248.10684	2.1
249.07761	2.3
250.06207	0.4
250.08597	2.6
251.06952	2.6
251.09453	1.1
252.06496	4.0
252.10245	0.5
261.07819	1.4
262.08578	1.5
264.06543	2.0
264.10117	0.7
265.07303	4.4
266.08109	8.6
266.11710	2.9
267.08774	1.3
268.04858	0.5
268.09647	2.7
269.10403	0.4
276.10178	3.9
277.10910	0.8
278.08038	1.1
279.08917	3.5
280.09567	0.7
281.10605	0.6
282.11182	0.4
283.08310	0.7
284.09180	6.5
284.12433	0.6
294.11218	13.3
295.11606	0.4
297.09933	0.6
312.12268	100.0
313.12665	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	311.1639
Annotation	7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran
Peak:m/z	Relative Intensity
50.33109	0.8
53.00307	0.9
53.03938	3.0
55.01867	1.2
55.05503	1.4
57.03424	1.4
58.81150	0.8
65.03933	1.2
66.31051	0.7
67.05496	3.7
69.03416	4.2
70.80018	2.4
77.03922	1.0
79.05491	9.8
81.03424	5.0
81.07048	2.8
85.02899	3.7
91.05482	26.2
91.77733	0.7
92.06257	1.1
93.06490	1.3
93.07046	19.5
94.04186	0.9
95.04975	5.5
95.08578	1.4
97.02896	2.4
99.04424	1.0
101.95264	0.7
103.05476	5.3
105.03388	2.1
105.07024	5.6
107.04952	19.8
107.08596	2.4
109.02887	3.1
109.06533	2.6
111.08102	0.9
115.05478	2.4
117.07004	5.2
119.04922	4.2
119.08604	6.7
121.06500	22.5
121.10135	14.9
121.10943	1.4
122.07298	13.6
123.04426	54.3
123.08054	1.6
128.06238	1.0
129.07011	2.9
131.04930	6.8
131.08624	2.2
132.05737	2.0
133.06508	7.8
133.07530	1.3
134.07271	1.8
135.04443	1.0
135.08040	4.8
137.05984	16.9
144.05714	3.1
145.06487	5.9
146.07245	3.8
147.08044	100.0
148.08517	0.9
149.06007	4.9
149.09619	25.1
151.07480	1.6
157.06560	0.9
158.07303	2.1
159.08054	7.6
160.08841	4.2
161.09615	41.6
162.09999	1.0
163.07561	11.2
165.06943	0.8
167.10666	2.5
170.03577	0.8
171.08107	1.9
172.08833	1.5
173.09595	4.3
174.10463	0.8
175.11211	4.8
177.09052	4.0
181.06535	1.3
185.09593	1.5
187.11169	7.3
189.12758	1.6
190.13548	2.9
195.08061	1.4
197.05978	1.3
201.12746	28.8
202.13469	0.9
209.06183	1.0
209.09546	1.0
210.06757	1.2
211.07562	1.6
223.07492	2.1
223.11220	1.4
229.08607	1.9
237.08994	1.6
241.08598	9.9
243.10202	2.1
251.10728	1.0
251.14355	1.2
255.10315	1.1
265.15900	3.7
273.64575	0.8
279.10956	0.8
279.13940	2.8
293.13550	1.7
311.05557	1.2
311.16434	38.5
312.16656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	1.6
55.01863	2.1
55.05511	56.1
57.03162	1.3
57.03436	23.5
57.06800	1.5
57.07075	26.1
59.04997	1.4
67.05502	10.6
69.07066	62.9
69.64181	4.9
71.04972	0.8
71.08631	14.4
72.83257	0.6
73.02914	1.3
77.28786	0.6
79.05071	0.9
79.05490	8.4
81.07054	13.6
83.04970	2.0
83.08617	53.8
84.08936	0.8
85.06544	0.8
85.10187	6.1
91.05460	1.9
91.60886	0.7
93.07059	7.2
95.08611	9.4
97.06532	6.0
97.10167	37.2
99.08126	0.9
99.73124	0.7
101.41771	0.6
105.07014	1.1
107.08575	5.6
109.10173	3.3
111.08068	2.9
111.11716	10.9
121.10136	9.4
123.11697	2.3
125.09632	2.1
125.13226	1.9
125.33374	0.7
129.05501	0.8
135.11702	7.0
137.13304	0.9
139.11160	2.1
149.13239	3.7
153.12671	1.2
163.14757	1.3
181.04993	0.8
209.11754	1.9
219.21004	1.8
237.11226	2.4
237.22174	1.3
278.39914	0.8
296.03104	1.3
311.05362	2.7
311.25806	100.0
312.26169	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	311.1639
Annotation	7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.03941	1.0
55.01854	1.0
55.05496	2.3
67.05512	4.6
69.03426	1.1
69.07051	1.1
69.20798	0.8
70.09616	4.2
74.09739	0.8
74.43292	0.9
74.49848	0.8
75.82919	0.9
77.03900	1.3
79.05504	5.4
81.03396	2.7
81.07070	5.3
82.68920	0.8
91.05477	27.5
92.06261	1.7
93.07043	8.7
95.04987	4.5
95.08602	2.4
97.06552	0.9
98.20689	0.9
103.05465	5.0
105.03390	2.1
105.04520	1.2
105.07014	5.6
107.04958	18.4
107.08578	1.7
109.06520	3.9
109.10139	1.3
115.05464	3.6
117.07037	6.2
119.04942	4.7
119.08567	4.6
121.06504	26.7
121.10141	4.4
122.07301	14.6
123.04427	65.8
128.06247	1.3
129.07014	2.5
131.04933	9.1
131.08577	2.3
132.05711	2.5
133.06477	6.6
134.07269	1.5
135.04388	1.2
135.08047	5.0
137.05972	22.4
141.07002	1.1
144.05684	2.7
145.06471	8.2
146.07275	4.7
147.08041	100.0
148.08374	2.4
149.05971	4.7
149.09613	8.4
157.06557	1.1
157.10127	1.6
158.07307	2.1
159.08060	10.0
159.09308	1.3
160.08817	4.5
161.09607	54.5
162.09883	1.4
163.07538	12.8
171.08052	2.5
172.08931	0.8
173.09657	5.1
174.10425	1.6
175.11166	7.2
177.09108	6.1
181.06520	1.3
183.07988	0.9
185.09566	2.1
187.11179	12.5
189.09077	0.9
189.12740	2.3
190.13510	2.3
195.08058	2.6
199.11224	1.4
201.12737	45.6
202.13139	1.5
203.10594	1.4
209.05933	2.1
209.09625	1.5
210.06827	1.5
211.07375	1.6
217.12231	1.3
223.07556	2.9
227.06847	1.2
229.08644	1.8
237.09128	1.6
241.08575	10.0
243.10165	1.8
251.10574	1.1
251.14374	1.4
255.10120	1.3
265.15903	4.5
269.11786	1.0
279.09909	0.9
279.13766	2.6
290.33499	1.0
293.15219	1.5
296.03271	1.1
311.05637	2.0
311.16391	40.9
311.23669	1.4
312.16769	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	311.1637
Annotation	7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.03923	1.8
55.01854	1.6
55.05491	2.2
57.03421	1.8
65.03924	1.2
67.05491	4.3
69.03429	4.5
69.63767	4.6
77.03903	1.5
79.05083	0.8
79.05495	11.3
81.03403	5.8
81.07053	4.5
85.02898	3.4
91.05473	28.4
92.06260	1.2
93.03356	0.6
93.07037	23.1
95.04943	5.3
95.08585	2.0
97.02865	1.8
98.21451	1.3
99.04462	1.0
103.05468	4.6
105.03394	2.2
105.07026	7.7
107.04944	18.8
107.08591	7.2
108.05719	0.9
108.55732	0.6
109.02864	2.9
109.06525	3.3
109.10178	0.9
111.04469	0.9
115.05440	3.0
116.06229	1.0
117.07003	5.0
119.04945	3.9
119.08574	6.2
121.06496	24.9
121.10132	20.0
122.03631	0.9
122.07284	13.3
123.04419	60.2
123.08041	0.9
128.06194	1.3
129.06975	2.7
131.04912	7.6
131.08540	4.3
132.05673	2.2
133.06500	6.9
133.10080	1.1
134.07249	2.3
135.04446	0.7
135.08057	5.4
137.05969	16.8
139.11191	0.8
141.07045	0.6
142.07762	0.9
143.08546	0.8
144.05666	3.7
144.60229	0.7
145.06461	6.9
146.07231	3.8
147.08035	100.0
148.08430	2.1
149.05986	4.8
149.08426	1.4
149.09607	25.2
151.07530	0.8
157.06462	1.3
157.10089	0.9
158.07254	2.6
159.08041	7.8
160.08801	3.9
161.09608	47.0
162.09999	1.0
163.07535	14.0
165.06941	0.8
167.10692	3.9
170.07179	0.7
171.08008	3.4
172.08868	1.5
173.09604	4.4
174.10367	0.7
175.11188	7.1
177.09126	4.2
181.06531	1.4
185.09605	1.3
186.10342	0.7
187.11157	8.3
189.09100	1.2
189.12740	1.7
190.13535	2.7
195.08052	1.3
197.05983	1.0
197.09634	0.9
198.06789	0.8
199.11174	1.0
201.12741	34.9
202.13249	1.4
203.10643	1.8
205.12193	0.9
209.05870	0.8
209.09621	1.4
210.06801	0.9
211.07510	1.8
217.12239	0.8
223.07591	1.8
223.11101	0.9
227.07106	1.5
229.08528	2.4
237.09163	1.5
237.12773	0.8
241.08559	9.9
243.10098	1.2
251.10611	1.3
255.10255	1.2
265.15979	2.7
269.11707	1.2
279.13843	3.3
293.13718	2.0
293.15466	1.8
296.03085	1.4
311.05533	2.2
311.16425	43.0
312.16757	2.0
331.02872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
51.02363	0.9
53.03952	2.2
55.01849	1.3
55.05488	1.7
57.03412	1.3
63.02393	0.4
65.03927	1.1
67.05497	3.2
69.03424	5.4
69.07033	0.7
69.30650	1.4
69.31073	2.7
71.04975	0.5
72.18091	0.4
77.03930	1.5
79.05489	13.5
81.03411	6.2
81.07058	4.7
84.65602	0.4
85.02904	4.1
91.05477	28.9
91.25864	0.4
92.06239	1.1
93.03375	0.9
93.07041	26.6
95.04962	5.9
95.08598	1.6
97.02893	2.1
97.06509	0.9
97.54520	0.4
99.04412	1.0
103.05463	5.5
105.03400	3.1
105.04489	0.6
105.07030	7.9
106.07829	0.4
107.04948	18.9
107.08585	4.9
108.05744	0.8
108.48344	0.4
109.02876	2.9
109.06526	3.6
109.10172	0.6
111.04446	1.9
115.05476	3.4
116.06208	1.1
117.07008	5.5
119.04922	3.5
119.08577	6.3
121.06501	25.3
121.10139	18.3
122.03634	1.0
122.06464	0.7
122.07290	13.5
123.04420	59.8
123.08047	1.2
123.11681	0.6
124.04751	0.5
125.05999	0.8
127.03896	1.5
128.06206	1.5
129.07002	2.9
130.07747	0.6
131.04919	7.3
131.08524	2.6
132.05687	2.4
133.06509	6.0
133.10132	0.9
134.07234	2.6
135.04420	1.1
135.08046	4.3
137.05977	16.7
141.06985	0.7
142.07751	0.7
143.08534	0.9
144.05679	2.9
145.04971	0.3
145.05353	0.6
145.06477	6.6
145.10123	1.1
146.07265	4.0
147.08040	100.0
148.05154	0.4
148.08476	1.7
149.05975	5.1
149.09612	28.8
150.24553	0.4
151.07532	1.2
153.06995	0.6
155.08467	0.5
157.06480	0.8
157.10078	1.0
158.07283	2.3
159.08044	8.3
160.08798	3.8
161.09610	42.4
162.10007	0.7
163.07536	14.6
165.07047	1.1
167.10669	3.4
169.06447	0.4
169.10139	0.5
170.07207	0.5
171.07962	2.1
172.08821	1.2
173.09616	4.8
174.10384	0.9
175.07687	0.5
175.11195	6.6
177.09113	4.6
181.06456	1.4
183.08032	0.7
184.08815	1.0
185.09621	1.5
185.13239	0.4
186.10422	1.0
187.11159	8.2
188.11838	0.6
189.09087	1.0
189.12746	1.2
190.13528	3.3
191.08488	0.6
195.08063	1.1
197.05951	1.0
197.09619	0.7
198.06715	0.7
199.11180	1.0
201.12740	30.5
202.13336	0.8
202.46501	0.5
203.10632	2.1
205.10242	0.5
205.12181	0.6
209.05995	0.9
209.09630	0.8
210.06725	1.6
211.07582	1.4
211.11201	0.4
214.05798	0.4
217.12239	1.2
223.07567	1.8
223.11185	0.8
226.06305	0.4
227.06992	1.0
229.08572	2.9
235.11119	0.6
237.09000	0.7
241.08575	10.5
243.09998	1.9
251.10721	1.0
251.14392	1.1
255.10309	0.8
265.12747	0.6
265.15952	2.6
269.11832	1.1
279.10345	0.4
279.13828	2.3
293.14017	2.0
311.05469	1.2
311.16446	37.4
312.16684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
50.87438	1.2
52.06747	0.9
53.03935	5.5
55.01843	1.2
55.05499	3.4
57.03423	3.6
59.18716	0.9
61.02921	0.9
63.29537	1.0
63.69641	0.9
65.03941	1.8
67.05486	3.1
69.03425	19.3
70.06254	2.2
70.06668	3.7
71.04980	1.8
77.03938	1.7
79.05490	37.2
81.03413	25.3
81.07047	7.4
83.04959	1.4
85.02900	15.0
87.04475	1.5
91.05471	17.1
93.03400	3.7
93.07039	94.5
94.07378	1.4
95.04957	6.0
95.08600	2.6
97.02875	9.7
98.20838	1.2
99.04449	3.4
102.27081	1.1
103.05446	1.8
105.04500	1.5
105.07013	12.3
106.07822	1.5
107.04956	2.5
107.08591	18.0
109.02888	8.2
109.06490	2.2
109.10149	2.0
111.04414	4.6
111.08031	1.2
112.73486	1.0
117.06974	1.4
119.08588	8.7
121.06517	1.5
121.10136	70.3
123.08067	1.9
125.06010	2.0
127.03922	5.6
131.08536	5.3
133.10065	1.8
137.05960	1.8
139.11208	1.3
145.04951	1.7
145.10028	1.4
147.08035	1.5
149.09607	100.0
150.09962	2.4
163.11130	1.3
163.98306	1.1
167.10666	14.0
171.15077	1.1
191.10555	1.2
293.13834	14.9
311.05457	1.6
311.15195	7.6
312.32700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52023	0.9
51.02367	1.0
53.03954	7.5
55.01881	1.3
55.05509	5.0
57.03439	3.8
61.02921	1.1
62.76255	0.9
65.03934	1.6
67.05504	2.6
69.03430	18.6
69.31207	9.6
71.01373	1.5
71.04973	1.2
75.04486	1.8
79.05492	38.1
81.03419	17.1
81.07051	3.7
83.04957	1.1
85.02908	14.1
87.04509	1.1
91.05481	19.6
93.07043	100.0
94.07357	1.2
95.04963	7.0
95.08620	3.0
97.02896	7.0
97.06525	1.4
99.04443	2.8
103.05486	1.9
105.07030	12.3
107.04974	2.0
107.08595	21.6
109.02886	8.5
109.06506	2.0
111.04450	1.2
111.08016	1.1
116.06207	1.1
117.06989	1.6
119.08592	13.1
121.06521	2.1
121.10143	78.1
123.08086	2.3
125.05979	1.3
127.03905	5.3
129.07010	1.0
131.08557	6.3
133.10130	2.9
135.08069	1.2
135.11693	1.2
136.10524	1.0
139.11209	1.7
144.98622	0.9
145.10077	2.0
147.04376	1.2
147.07994	1.7
149.09622	39.2
161.09618	1.0
163.11197	2.5
167.10704	4.9
183.67027	0.9
191.10843	1.0
201.76906	0.9
238.39375	0.8
276.02731	0.9
293.13705	5.7
311.15057	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
56.96548	3.1
57.03437	7.6
57.07087	2.1
61.02911	2.2
62.50397	1.2
64.41840	1.1
66.01276	1.3
67.05483	1.6
69.03430	21.3
69.56917	2.7
69.57322	6.5
70.06567	1.4
71.01336	2.6
71.04982	3.4
71.64304	1.2
73.02900	4.7
79.05490	4.5
81.03418	8.7
81.04524	2.2
83.04967	3.1
85.02525	1.3
85.02911	15.4
87.04459	1.3
91.05474	5.6
93.07051	1.8
94.04137	1.4
96.59264	1.4
97.02880	15.6
98.97585	3.5
101.02367	1.4
103.03935	2.8
103.05447	4.6
107.04940	3.4
109.02850	2.7
111.04408	2.2
115.03908	3.3
115.05460	2.0
116.98610	2.5
119.04923	4.7
120.08084	3.0
121.06489	2.4
121.08458	3.8
122.03647	2.5
123.04497	1.6
127.03933	12.3
129.05435	2.5
129.07005	1.7
131.04950	9.3
133.02823	3.6
133.07582	10.1
135.04396	3.7
135.11780	1.8
137.05974	37.2
141.06979	3.9
143.04922	2.7
144.05624	1.6
144.96109	1.5
145.04973	2.1
145.06456	4.8
147.04396	9.8
148.06326	2.9
149.02161	2.2
149.05989	11.1
149.07097	4.2
150.05453	2.2
151.03886	4.1
151.07515	4.2
155.04811	1.7
159.04340	4.4
160.05167	2.6
160.07591	1.4
161.06059	3.7
161.07100	100.0
162.07796	1.7
163.03867	1.9
163.07530	4.5
164.04663	1.5
165.05441	2.4
167.07005	4.8
169.06471	5.1
169.07860	1.2
173.07082	2.3
174.07948	3.2
175.07492	5.3
175.08679	4.9
176.04672	2.4
177.05460	18.9
179.07036	6.6
181.04953	1.5
183.09103	2.4
187.07501	3.7
191.06801	13.1
191.08421	3.7
197.06018	4.8
201.10350	13.1
203.07083	5.6
205.08546	1.6
207.06523	1.5
209.11719	1.7
214.06242	2.3
215.07028	5.3
221.04475	1.9
221.08160	1.6
221.28331	1.2
223.04350	4.5
227.08131	2.3
229.08440	3.8
229.10048	2.9
233.08044	3.4
237.02670	2.1
239.08043	3.4
245.09251	19.6
257.09314	32.7
275.10303	20.7
293.11276	18.1
296.03030	2.8
311.05588	5.2
311.07867	2.6
311.11591	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	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05526	6.3
57.03413	5.8
57.07072	9.2
61.02906	6.3
67.05495	20.0
69.03419	15.5
69.69374	5.2
70.04033	6.3
71.04993	26.2
71.51202	8.8
72.27744	4.8
78.42038	5.0
81.03388	14.6
85.02911	36.6
91.05466	6.2
93.07033	15.6
95.04961	16.6
97.02888	18.4
98.97594	7.5
109.02858	17.9
113.06001	78.3
120.08083	9.0
127.03936	8.0
131.07027	100.0
139.03899	9.8
140.04216	7.4
145.04927	16.3
151.03781	6.0
153.02007	5.0
163.03960	5.2
236.46512	5.3
285.37677	4.9
306.16577	5.4
311.05392	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	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90026	2.7
53.03936	5.5
55.01868	4.0
55.05514	18.5
57.03420	9.2
57.07047	3.3
59.05007	2.4
60.04186	2.6
66.99847	3.4
67.05502	38.8
67.65444	3.4
67.92522	3.1
69.03426	4.1
69.07069	23.1
71.04980	3.2
71.52820	4.4
79.05492	32.6
81.03419	5.1
81.07048	43.0
83.04973	4.3
83.08598	7.1
91.05473	43.8
93.06487	4.8
93.07040	69.5
95.04382	4.0
95.04958	56.2
95.08602	44.8
97.02875	3.2
97.06532	23.3
100.02473	16.4
103.05443	3.9
105.04501	4.1
105.06316	5.1
105.07025	95.6
107.04932	10.0
107.08589	41.4
109.06511	12.4
109.09480	2.8
109.10161	25.0
115.05450	5.5
116.06126	2.5
117.07048	19.6
117.37505	2.3
118.03470	12.3
119.08577	76.5
121.06490	6.9
121.10138	100.0
123.04055	8.8
123.08039	12.8
123.11711	9.6
128.06183	9.5
129.07010	16.6
130.07771	3.9
131.08565	39.5
133.06506	3.0
133.07613	2.4
133.10106	43.6
135.08040	5.6
135.11678	12.3
141.05077	11.4
141.06973	11.0
142.07773	13.5
143.08539	26.2
144.09315	8.4
145.06477	4.1
145.09061	4.8
145.10110	44.1
146.10561	2.5
147.08090	3.1
147.11673	17.7
149.09631	4.1
149.13231	4.7
155.08560	16.0
156.09340	8.2
157.10126	34.3
158.10866	6.7
159.07988	3.7
159.11673	29.4
161.09610	8.9
161.13240	11.4
165.06998	4.2
167.08572	5.6
168.09375	4.2
169.10127	16.3
170.10858	6.1
171.11693	20.8
173.13249	17.6
175.14798	11.7
179.08531	6.0
181.10144	8.2
182.10925	4.8
183.11676	14.7
185.09532	3.1
185.13228	10.3
187.11159	10.2
187.13390	2.8
187.14801	16.1
187.16214	3.1
189.16422	3.3
193.10110	6.2
195.11711	7.7
196.12459	3.0
197.13159	12.3
199.14774	11.7
201.12766	4.4
201.16298	3.7
207.11644	4.7
209.13216	8.3
211.14780	10.4
213.16386	5.4
215.18167	3.0
220.12367	3.0
221.13210	5.8
223.14722	7.9
225.16359	6.0
235.14790	5.5
237.16379	3.3
237.73596	2.5
241.65135	2.8
249.16435	3.9
253.15862	4.4
253.19618	3.2
265.19363	3.6
267.20740	2.8
281.22662	8.8
291.21048	14.9
298.19952	5.7
309.11069	4.8
309.22055	74.8
309.25388	7.1
310.07016	3.9
310.22531	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.40440	1.8
52.66629	2.4
53.03932	6.8
53.80719	1.8
55.01879	3.8
55.05503	19.9
57.03438	5.1
57.07061	4.6
64.77474	1.9
65.03934	2.7
66.41710	2.2
66.58614	1.9
67.05503	52.7
69.03447	2.9
69.07072	17.8
69.43275	15.6
71.04972	3.3
71.08627	66.0
79.05022	2.7
79.05492	53.1
81.03423	11.9
81.07055	65.3
81.55157	2.3
82.30147	2.1
83.04972	13.9
83.08609	8.0
85.06551	4.1
91.05479	31.5
93.07040	70.4
95.04958	15.8
95.08606	41.5
97.06512	11.2
97.10171	4.3
98.20810	4.4
98.85949	2.2
99.08089	47.2
102.85091	2.0
105.04659	2.1
105.07020	23.5
107.04936	10.4
107.08581	40.0
109.06508	3.4
109.10149	17.0
111.08083	4.0
113.09621	3.3
117.07023	4.5
119.08610	21.2
121.06484	3.0
121.10139	35.1
123.08067	3.7
123.11694	3.2
127.11202	3.2
131.08553	7.3
133.10144	11.5
135.10716	3.0
135.11693	41.5
137.09589	5.9
138.74280	2.0
139.11211	2.5
145.10130	6.2
147.11627	9.4
149.13235	13.9
151.11174	21.9
153.12666	3.3
159.11713	3.6
161.13245	9.7
163.11153	9.7
167.10646	2.9
171.11754	3.6
177.12669	2.8
179.14297	100.0
185.13326	2.5
189.12708	3.8
199.14748	2.8
221.15442	4.4
225.36578	2.1
235.13289	2.4
235.16960	3.4
259.20532	5.6
277.21616	53.5
309.24289	5.0
310.06857	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	310.147
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.05513	0.6
57.03430	0.4
57.33894	0.4
57.98784	0.6
58.99300	0.5
58.99584	9.4
60.61368	0.4
67.05495	0.7
67.39002	0.4
69.03422	1.4
69.07057	0.4
71.50467	0.7
71.50857	0.5
72.94559	0.4
79.05484	1.2
81.03391	1.1
81.07048	0.7
83.04987	0.7
85.02883	0.8
86.99043	8.8
91.05465	0.9
91.20501	0.4
93.07021	1.3
95.04951	0.9
97.02856	0.6
97.06532	0.5
99.30785	0.4
100.02194	57.1
101.02528	0.5
105.00085	17.0
105.06995	1.3
107.08559	0.6
109.02869	1.1
113.09687	0.4
118.03244	0.5
118.06501	0.7
119.08604	1.0
121.06470	0.6
121.10120	1.4
123.11739	0.5
125.09610	0.5
126.03728	0.5
127.03914	0.9
138.09099	0.9
144.01157	0.6
146.02696	81.4
146.05949	1.2
147.03070	1.0
147.04352	0.8
147.06306	0.5
147.11604	0.6
149.02408	0.7
149.05966	0.7
149.09569	1.2
161.05957	0.7
163.03886	0.5
166.08594	2.2
172.04329	0.7
177.05460	1.6
178.05890	2.2
204.07416	0.7
207.06367	0.6
208.06917	1.0
213.05466	0.9
232.06866	0.5
257.04532	0.9
264.14102	1.4
274.08051	0.6
282.95743	0.5
296.03107	0.6
310.07483	2.1
310.14679	100.0
311.05490	1.4
311.15027	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2209
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.81065	2.5
53.03933	4.2
53.29556	2.3
53.82924	2.7
55.01851	6.1
55.05508	18.6
57.03412	6.4
57.07052	4.2
61.91737	2.7
67.05194	3.1
67.05502	32.5
69.07077	20.4
71.52383	4.4
71.52799	3.4
79.05493	34.5
81.03391	2.8
81.07046	38.6
83.04974	3.2
83.08592	8.3
91.05463	38.0
93.07030	62.0
95.04403	3.2
95.04960	51.7
95.08595	40.1
97.06541	15.6
103.05475	3.9
105.07021	85.3
107.04965	3.1
107.08597	35.0
109.06500	11.1
109.10124	24.4
117.07005	17.2
119.08569	58.5
121.06455	12.7
121.10139	90.0
123.04357	2.9
123.07991	6.5
123.11675	12.6
128.06172	7.4
129.06970	13.0
130.07753	6.8
131.08557	32.2
133.10101	43.2
134.96577	2.7
135.08028	3.5
135.11684	13.2
141.06985	7.8
142.07759	14.1
143.08546	26.7
144.09323	7.9
145.06429	4.3
145.10092	48.4
147.04384	4.1
147.07997	5.0
147.11678	14.0
149.09589	5.9
151.11197	2.9
155.08513	14.9
156.09338	10.0
157.10123	38.1
158.10869	6.0
159.08102	4.1
159.11667	30.4
161.09601	11.8
161.13249	8.6
165.06946	3.7
167.08516	6.0
168.09264	6.7
169.10126	18.6
170.10889	6.7
171.11694	19.9
173.09558	3.4
173.13251	14.2
175.14789	10.4
179.08545	6.9
181.10060	9.5
182.10822	4.7
183.11679	18.5
185.09682	3.0
185.13235	14.3
187.11188	10.0
187.14749	15.7
193.10075	8.8
195.11713	11.7
196.12318	5.3
197.13300	17.0
199.14832	6.2
200.15546	6.5
201.16345	4.4
206.10902	5.5
207.11679	6.4
209.13242	11.8
211.14789	8.8
215.14375	3.8
220.12471	5.4
221.13246	6.1
223.14777	7.3
225.16328	11.5
235.14821	7.5
239.14264	4.2
239.18028	8.0
241.19185	3.4
249.16409	4.1
251.17780	5.1
253.15785	7.8
265.19379	5.8
281.22559	9.3
291.21094	14.6
309.22076	100.0
309.25424	4.7
310.22177	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	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03939	1.8
55.01860	6.8
55.05494	5.6
57.03161	2.3
57.03434	36.1
67.05500	28.4
69.03403	1.9
69.07066	3.3
71.04987	2.8
79.05490	13.9
81.03413	1.5
81.07053	12.5
81.99775	1.6
85.06539	35.1
91.05463	9.5
93.07024	12.2
95.04962	35.2
95.08617	9.1
97.06508	3.5
98.20723	2.7
105.07009	10.0
107.04922	4.8
107.08585	8.2
109.05815	2.7
109.06516	39.0
109.10139	2.3
113.05997	100.0
113.35929	1.8
117.06979	6.3
119.04924	2.0
119.08559	5.7
121.10161	2.8
123.08008	2.0
128.06195	1.7
129.06978	4.1
131.08583	8.7
133.10077	2.2
135.08047	31.7
135.11658	4.2
143.08507	2.5
145.10130	6.0
147.04393	3.0
147.08031	2.4
149.09573	3.5
149.13234	2.0
157.10100	4.7
159.11656	3.5
161.09630	3.6
171.11720	2.6
177.12685	2.7
183.11621	2.3
185.13202	1.9
199.14728	2.3
217.15846	12.1
253.07378	3.5
273.18448	14.4
291.19519	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.06962	1.5
55.01864	6.0
55.05510	33.7
57.03423	1.9
57.07065	1.7
63.41720	1.5
67.05495	13.2
69.03418	5.1
69.07070	14.1
69.40549	7.9
69.40975	6.4
74.04926	2.0
79.05495	14.2
79.21758	1.6
80.29972	1.5
81.03410	3.1
81.07053	25.3
83.04958	4.3
83.08621	16.0
83.65830	1.5
91.05466	12.7
92.13186	1.9
93.07050	13.7
95.04959	7.4
95.08603	11.1
97.06520	3.0
97.10160	25.9
97.81528	1.7
105.07025	9.7
107.04961	3.4
107.08593	11.8
109.06510	3.0
109.10123	6.5
111.04424	4.3
111.08057	3.2
117.07004	5.7
117.75719	1.6
119.04948	1.9
119.08564	10.2
121.06484	3.6
121.10114	5.3
123.08063	8.4
125.09626	18.2
128.06284	1.9
129.07027	3.3
131.08537	7.3
133.06451	4.0
133.10095	2.8
135.08040	3.5
137.05875	2.0
143.08578	3.1
145.10132	4.4
147.04457	2.6
147.08040	4.0
147.11690	3.0
159.11713	2.3
163.11206	2.0
165.09119	3.0
169.10228	2.1
175.11304	2.2
183.11923	1.7
189.11255	10.4
193.12222	1.8
198.24326	1.6
217.76117	1.6
236.43748	1.5
245.18925	1.7
273.18463	10.3
291.19528	100.0
292.19644	3.5
309.21027	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	309.0965
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
53.03942	0.7
55.01870	2.8
55.05501	0.7
55.80588	0.4
56.96576	0.4
57.03424	1.4
61.02901	1.0
65.03930	0.7
67.01843	0.5
67.05495	1.4
68.99778	0.6
69.03434	3.4
69.54073	2.8
71.04993	0.4
73.02907	0.8
79.02341	0.3
79.05487	1.2
81.03405	4.8
81.07056	1.0
85.02911	3.4
87.83862	0.4
91.05471	4.5
93.07033	1.2
95.01321	0.7
95.04963	1.7
95.08553	0.6
97.02884	0.8
99.04465	0.9
103.03941	1.1
103.05470	1.7
105.07030	2.0
107.04957	2.6
107.08630	0.4
109.02885	2.2
109.10171	0.7
115.05437	0.8
117.06975	0.7
119.04931	9.0
119.08572	1.4
121.02882	0.7
121.06502	5.1
123.04399	0.6
124.07589	0.5
127.03909	1.1
129.07018	0.8
131.04903	4.6
133.06508	1.0
135.04417	1.3
137.02312	1.4
137.05882	0.5
145.06500	0.7
147.04399	41.8
147.08047	1.2
148.04778	0.6
149.05975	14.7
157.06445	1.2
158.06064	0.5
159.04410	2.8
160.05165	1.3
161.06027	2.9
163.03886	0.7
165.05489	1.5
165.09175	0.8
171.04376	0.8
173.05940	1.4
175.03888	1.0
175.07582	1.4
176.04637	0.9
176.06966	0.6
177.05457	46.5
178.05920	1.2
179.07097	0.5
181.06461	0.6
183.04398	1.6
185.05984	2.2
187.03911	1.5
187.07620	0.7
189.05464	5.0
191.06990	1.1
197.05972	0.9
199.03954	0.7
199.07484	0.7
200.04636	0.7
201.05489	3.5
203.07014	1.3
209.05898	0.5
213.05502	3.4
215.06987	0.9
216.04341	0.4
217.04944	2.1
218.05629	1.9
219.06583	1.4
227.06879	1.8
231.06522	6.3
237.05283	0.6
243.06522	0.8
245.08113	0.9
247.14426	0.5
255.06541	1.7
263.07101	1.1
273.07578	1.2
291.08762	6.6
309.09683	100.0
310.10101	2.7
333.52026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03931	1.0
53.68688	0.2
55.01869	0.7
55.05508	0.8
57.03418	0.7
65.03930	1.1
67.05505	1.9
69.03424	3.7
69.07054	1.2
71.04984	0.7
71.12800	0.7
79.05486	1.1
81.02934	0.4
81.03416	8.8
81.07066	2.6
83.04983	0.5
83.08607	0.4
85.02903	4.4
85.06563	0.3
85.81921	0.3
91.05479	10.7
93.07040	1.6
95.04941	0.9
95.08596	2.4
97.02899	1.3
97.06488	0.3
97.10155	0.5
99.04430	0.9
99.08068	0.5
105.07012	1.3
107.04932	0.6
107.08580	0.9
109.02862	3.7
109.06544	0.5
109.10167	1.6
110.88206	0.3
111.04486	0.3
111.08118	0.4
117.07023	0.5
119.04937	25.7
119.08586	1.4
120.05318	0.3
121.10159	1.2
123.04412	0.7
123.11694	0.7
125.09590	0.3
127.03885	1.1
129.06932	0.3
131.08559	0.5
133.06456	0.3
133.10136	0.5
135.11711	0.7
136.17302	0.3
137.06015	0.5
137.09674	0.4
141.06992	0.3
143.08588	0.6
145.10071	0.4
146.19998	0.3
147.04405	100.0
147.08028	4.8
147.11702	0.5
148.04727	1.8
157.10127	0.4
157.19414	0.3
159.11757	0.4
161.09601	0.3
161.13104	0.4
163.04097	0.2
163.07523	0.3
165.05481	2.6
165.09122	0.8
165.12723	0.3
175.03912	0.5
184.01793	0.3
188.97618	0.3
207.06438	0.4
209.13409	0.3
209.20947	0.3
234.06731	0.5
249.09398	0.3
249.99232	0.4
253.08649	0.4
266.05734	0.6
267.10101	0.3
273.18396	0.3
277.08609	1.3
281.11920	0.7
284.88425	0.3
291.08612	5.4
294.05200	0.7
294.08896	0.4
294.12521	0.4
309.04172	0.4
309.07523	0.9
309.10928	0.9
309.14801	1.9
309.18015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Allamandin
Peak:m/z	Relative Intensity
53.03939	1.0
55.01637	0.5
55.01866	3.3
55.05514	0.7
57.03425	1.3
61.02921	2.3
67.05500	1.5
68.99780	0.9
69.03436	3.4
69.41876	3.2
69.59547	0.5
71.04977	1.0
79.05496	0.7
81.03410	5.1
81.07051	1.8
83.56393	0.5
85.02911	3.1
91.05484	7.9
93.07032	1.8
95.01334	1.2
95.04953	1.6
95.08608	0.7
97.02897	2.0
98.30896	0.5
100.02205	0.6
103.03934	0.9
103.05476	1.7
105.03358	0.5
105.07021	2.2
107.04960	3.5
107.08589	1.0
109.02881	2.7
109.07835	0.5
109.10146	0.9
111.02576	0.6
111.04399	0.8
113.02348	0.5
115.05479	0.9
117.07021	1.1
118.06560	2.3
119.04936	10.6
119.06853	3.2
119.08583	1.9
121.02844	0.7
121.06492	4.2
121.10131	0.8
123.04487	0.8
123.08070	2.2
125.09596	0.7
126.03748	1.0
127.03960	1.8
129.07002	1.0
131.04929	5.2
131.08578	0.9
133.06493	1.9
134.95872	0.7
135.04468	0.7
135.58331	0.5
137.02344	1.9
137.04202	0.6
137.05960	1.0
137.09625	1.2
139.02135	1.8
140.02463	0.8
141.06998	0.7
143.04907	0.5
143.08595	0.8
145.02875	0.7
145.06485	1.4
145.10147	0.7
146.06013	3.5
147.04407	43.4
147.06177	5.5
147.08029	4.7
149.02289	0.6
149.05963	12.9
157.06482	2.2
159.04401	2.6
160.05208	1.0
161.05997	3.6
163.03951	0.8
163.07530	0.7
163.11189	0.5
165.03706	1.8
165.05476	1.6
165.09126	1.0
166.03989	2.4
171.04396	0.7
173.06013	1.6
175.03975	0.8
175.07523	1.6
176.04710	0.7
177.05463	42.7
178.06149	0.7
181.06461	1.2
183.04311	0.7
185.05975	2.0
187.03922	2.2
189.05426	7.3
189.07007	0.5
191.07062	2.4
197.05829	0.6
198.93393	0.7
199.03969	1.2
199.07594	1.7
200.04706	1.5
201.05475	4.0
203.07072	1.8
207.06635	1.1
210.87463	0.5
213.05469	4.5
215.06993	0.6
217.05029	2.2
218.05836	2.7
218.98012	1.0
227.06990	2.9
229.04927	1.1
231.06496	10.0
237.05626	0.7
243.06549	0.5
245.08197	0.7
255.06459	2.6
263.07028	0.7
273.07626	1.2
291.08786	5.8
291.11847	1.0
309.09708	100.0
309.13394	7.0
310.09818	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	308.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.01882	0.4
57.03440	0.6
61.02917	1.1
66.60319	0.2
69.03416	3.2
69.69657	0.8
69.70064	0.7
71.05004	0.3
73.02905	0.6
81.03407	1.5
85.02901	6.1
86.97669	0.2
87.04462	0.7
91.03952	0.4
91.05472	4.0
97.02883	2.3
99.04449	0.5
100.02152	0.6
100.78099	0.3
108.15317	0.2
109.02854	1.0
111.02534	0.3
117.05766	0.9
118.06535	59.6
119.06871	1.0
126.03728	0.9
127.03923	1.5
137.04166	0.4
139.02089	2.2
139.56866	0.3
145.04958	0.9
146.06001	100.0
147.04391	0.9
147.06351	1.5
149.05917	0.5
150.01324	0.4
163.11151	0.3
165.03699	4.0
167.07033	0.6
177.05444	0.9
189.05501	0.3
206.06308	0.6
230.05113	0.3
252.06953	0.4
252.45294	0.2
261.47107	0.3
308.11136	5.3
308.13409	2.9
309.09570	2.7
321.99460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05497	0.4
57.07057	0.7
58.02955	0.4
67.05481	0.6
69.07058	0.9
70.04065	0.3
71.08615	0.7
71.52740	0.2
71.53152	0.3
76.34064	0.2
79.05481	0.8
81.07053	2.4
91.05464	1.0
93.07018	0.4
94.04182	2.2
95.04925	0.3
95.08573	0.9
99.08090	0.4
105.03391	0.3
105.07043	0.4
106.03676	0.3
107.04959	0.3
107.08600	0.3
109.06523	0.8
109.10107	0.3
119.08566	0.5
122.03642	6.7
123.83646	0.3
128.10735	0.4
133.10143	0.3
137.05968	100.0
137.13254	0.8
138.06302	2.1
146.06047	0.3
153.12718	0.3
165.12776	0.4
172.16968	1.1
183.94916	0.2
184.16969	2.2
185.48140	0.2
236.11047	0.3
249.65532	0.3
291.23236	2.1
308.06488	0.4
308.22464	0.6
308.25778	0.6
321.91071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92045	0.3
52.30854	0.3
55.01870	0.6
57.03441	0.8
61.02912	1.4
69.03429	3.2
69.69800	2.3
71.04966	0.5
73.02908	1.0
81.03402	1.1
85.02901	7.0
87.04445	0.7
91.05479	4.4
97.02875	2.4
98.21530	0.5
109.02853	1.0
117.05740	1.2
118.06538	69.6
119.06852	1.2
127.03905	1.4
139.65147	0.4
145.04987	1.1
146.06006	100.0
147.06372	2.1
152.14604	0.4
166.10509	0.4
234.04733	0.4
275.59277	0.3
308.11249	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	307.263
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03933	2.9
55.01894	1.6
55.05509	23.8
56.42175	1.5
57.03418	5.4
57.07074	9.9
67.05503	21.6
69.03422	3.2
69.07067	65.9
71.04988	2.4
71.10437	4.3
72.57218	1.5
78.83904	1.6
79.05489	19.0
81.03412	2.7
81.07049	65.8
83.04971	2.6
83.08616	23.5
85.06529	14.5
91.05473	13.4
93.07035	29.9
95.04947	2.5
95.08601	58.0
95.09187	3.7
95.83485	1.7
97.06532	5.3
97.10176	8.1
98.39108	2.3
99.08076	17.0
105.07030	36.5
107.08587	61.2
109.06501	6.5
109.10153	34.8
111.08066	5.5
111.11700	2.4
113.09605	4.1
117.07072	2.7
119.08575	53.1
121.06537	2.6
121.10135	29.2
123.08064	13.0
123.11690	22.7
125.09628	4.5
125.13262	3.4
127.11174	5.0
131.08553	6.3
133.10110	32.5
135.11679	23.8
137.09630	2.9
137.13240	6.6
139.11206	5.1
141.12772	2.5
143.14326	4.4
145.10110	13.0
147.11676	100.0
149.13263	14.8
151.11188	8.2
159.11696	16.3
161.13248	52.9
163.03917	2.7
163.11153	3.1
163.14827	10.7
165.12788	10.3
169.12239	5.2
173.13232	7.0
175.14793	13.9
177.16356	3.8
179.14279	36.5
181.12213	2.1
187.14798	7.7
189.16383	30.8
190.16956	4.2
191.17928	14.6
201.16386	17.0
203.17856	11.2
207.17612	2.0
215.17928	2.2
219.17328	2.7
229.19528	3.3
245.22658	6.5
247.20378	1.7
247.24342	2.3
271.24182	7.6
277.25119	2.7
289.25244	63.0
307.26300	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	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.93480	1.6
53.03938	3.5
55.05511	31.6
57.03442	2.0
57.07071	13.1
65.03947	2.7
67.05503	36.4
69.03417	3.4
69.07067	67.0
70.18059	6.7
71.04971	4.4
71.08630	3.6
79.05494	29.6
81.03419	1.8
81.07054	100.0
83.05017	2.2
83.08616	30.2
85.06544	32.5
91.05474	14.6
93.07040	42.8
93.76566	1.5
95.04942	6.1
95.08605	83.8
95.48971	1.3
97.02930	1.4
97.06505	6.6
97.10168	13.8
99.08091	40.9
105.07034	33.0
107.04943	5.5
107.08597	48.8
109.06502	5.0
109.10155	64.9
111.08057	6.9
111.11714	5.7
113.09620	4.9
119.08578	28.7
121.02869	8.1
121.06467	3.9
121.10137	36.8
122.14536	1.6
123.08049	2.4
123.11708	31.5
125.09590	4.5
125.13255	4.9
127.11198	3.4
129.07016	3.4
131.08545	7.1
133.10132	23.5
135.08061	1.7
135.11694	67.4
135.12726	3.5
137.09605	4.7
137.13271	9.4
139.03911	4.6
139.07535	2.0
139.11192	3.7
143.08502	1.7
143.14261	2.8
145.06473	2.0
145.10107	7.7
147.11702	21.5
149.13255	60.9
151.11171	5.1
151.14792	4.8
159.08058	3.5
159.11687	7.3
161.13251	24.0
163.07545	2.1
163.11133	3.3
163.14842	17.9
165.12753	7.4
168.99040	2.0
173.13223	5.8
175.14809	11.4
177.16428	10.4
179.14360	14.8
179.17978	4.2
187.14758	4.0
189.16360	12.3
191.14320	3.1
191.17934	13.9
193.15898	3.7
195.17464	2.0
201.16397	4.1
203.17928	6.1
205.15857	1.9
207.17424	9.5
209.19054	2.0
215.17899	4.2
219.17482	2.4
229.19519	2.4
233.18968	2.6
235.13190	2.5
245.22601	7.1
261.25775	6.8
271.16815	2.6
271.21423	2.0
271.24152	11.7
275.20035	3.7
277.25253	40.1
289.18036	3.2
289.21936	1.7
289.25232	40.1
307.09537	3.3
307.13220	1.6
307.22784	7.0
307.26254	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05035	2.2
58.06595	4.2
68.05018	0.6
69.03421	1.1
69.07052	1.0
69.29979	4.4
70.06593	0.8
74.02448	0.5
76.60358	0.5
81.03416	0.8
84.03986	0.7
84.04503	24.6
84.08138	100.0
85.02895	1.2
85.08472	1.0
86.06062	6.6
86.09702	6.7
88.03985	2.4
90.88301	0.5
98.09691	0.5
99.09204	0.7
99.43114	0.4
105.06937	0.5
123.04418	1.3
130.06528	4.5
130.08669	1.2
132.04431	1.5
139.03856	1.7
141.13858	5.7
144.10188	1.0
145.04913	0.7
145.06516	0.5
145.77072	0.5
146.06000	14.1
147.04401	1.2
155.03394	1.7
157.07573	4.2
158.05984	4.4
161.05977	1.0
163.03932	0.7
169.13342	9.9
175.08675	2.7
189.05426	0.8
198.11195	1.1
201.05377	0.8
215.13893	42.6
216.14304	0.5
243.17035	57.1
244.17320	1.4
261.08658	1.9
261.16202	0.5
262.11081	3.9
289.07556	0.6
307.16815	15.1
317.79056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	17.2
53.54008	2.0
55.01873	54.4
55.05508	22.6
57.03414	2.5
65.03938	3.3
67.05503	59.7
69.03432	2.7
69.07069	52.7
71.04987	3.5
77.86320	1.7
79.05492	43.2
79.05924	3.8
81.03417	37.1
81.07053	80.1
83.04988	12.6
83.08627	7.4
85.06548	4.6
91.05480	51.6
93.07042	52.7
95.01340	6.3
95.04965	21.4
95.08604	47.0
97.06528	100.0
97.10178	5.2
99.08047	3.2
103.05477	2.5
105.07031	68.3
107.04949	30.5
107.08599	25.2
109.06517	9.3
109.10148	10.3
111.08090	5.3
113.09691	3.6
115.05409	2.9
117.07007	19.0
119.08572	34.1
121.06510	7.2
121.10132	11.8
123.04436	4.1
123.08059	11.3
123.11698	4.5
125.09618	4.8
128.06250	1.9
131.08557	24.2
133.10132	38.3
135.08061	5.3
135.11673	17.3
137.09613	4.6
139.07538	4.8
141.06966	2.8
143.08597	5.1
145.06506	7.0
145.10132	18.7
147.08090	1.9
147.11667	14.8
149.09633	15.4
149.13211	11.6
151.11160	5.0
155.08612	2.5
157.10092	3.0
159.08064	2.3
159.11676	22.3
161.09558	2.5
161.13278	6.4
163.11195	8.2
165.09119	4.1
169.10133	5.2
171.11691	2.7
173.13292	5.8
175.11256	2.3
177.12775	14.4
179.14313	20.0
183.11778	4.7
185.13316	2.3
187.11186	11.4
205.12187	2.6
209.15256	3.0
215.17966	2.0
219.17448	4.7
229.19501	3.3
239.17960	4.6
247.20688	7.5
257.18976	7.1
265.52271	1.8
267.16248	1.9
275.20041	76.8
276.20523	3.0
307.22726	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	307.2629
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03933	5.6
55.05507	21.3
57.03429	3.5
57.07070	10.9
57.48468	2.5
67.05511	19.9
67.66980	2.6
69.03413	6.8
69.07068	66.1
70.15922	9.4
71.04981	4.8
79.05491	24.9
81.03413	7.9
81.07057	91.7
83.08617	20.0
85.06536	16.5
91.05473	18.3
93.07047	28.8
95.04958	5.1
95.08597	56.3
97.06541	6.4
97.10151	5.5
99.08092	22.2
105.04442	2.8
105.07027	41.8
107.08599	72.1
108.08893	3.1
109.02879	6.2
109.06511	9.6
109.10154	36.5
111.08060	7.2
111.11712	2.5
113.09647	7.8
113.64417	2.7
117.07001	4.3
119.08573	58.7
121.10143	32.6
123.08038	12.7
123.11694	29.3
123.17252	2.8
125.09622	5.8
127.11195	4.8
131.08574	5.8
133.10133	31.3
135.04382	3.8
135.11656	19.2
136.21573	2.4
137.13261	5.9
139.03896	3.8
139.11171	15.1
143.14313	3.5
145.06493	6.5
145.10120	13.7
147.11688	100.0
149.13272	15.3
151.11162	13.5
159.11673	18.4
161.13261	45.8
163.03871	11.2
163.14812	8.5
165.12775	4.9
169.12296	13.0
173.13239	8.4
175.14824	15.6
179.14314	42.1
187.14888	7.4
189.16382	48.6
190.17067	6.9
191.17978	27.0
201.16289	14.2
203.17941	15.7
215.17949	5.2
245.22598	7.4
260.25159	2.4
265.69830	3.3
271.24164	14.9
289.25259	70.8
290.25302	2.8
307.26385	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	307.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01865	0.6
55.05501	0.7
57.03431	0.5
65.03917	0.5
67.05501	1.2
69.03410	1.7
69.07045	0.7
69.75393	1.0
69.75806	1.7
71.26855	0.4
79.05483	1.2
81.03432	2.5
81.07058	3.3
83.08620	0.6
85.06561	0.6
87.13004	0.4
91.05482	2.7
93.07049	2.8
94.06599	0.5
95.04951	1.4
95.08574	1.9
96.08132	0.8
97.59931	0.5
98.21153	1.6
105.07038	1.0
107.04951	0.7
107.08575	2.0
108.08109	0.7
109.02856	1.0
109.06478	1.1
109.10129	1.1
117.07042	0.5
119.08523	1.2
121.10172	0.8
122.06004	1.4
123.06824	1.3
123.11710	1.0
124.07590	8.4
126.09159	5.6
127.03857	1.1
133.10133	0.5
135.04471	0.7
135.08037	0.8
135.11673	0.9
136.07570	58.1
137.07886	1.2
137.46329	0.4
138.09131	54.3
139.03870	1.1
139.09428	1.2
140.07045	1.9
145.06487	1.6
145.07578	0.5
145.10115	0.9
147.09116	0.8
152.07048	14.9
153.07384	0.5
163.03914	1.4
163.07510	1.0
164.07054	100.0
165.07440	2.7
170.08107	3.5
182.08121	19.8
183.08310	0.6
190.66656	0.5
191.08180	2.9
289.15295	3.4
289.18079	0.5
295.63199	0.5
307.05823	3.5
307.09540	0.8
307.12875	3.8
307.16443	1.5
307.22546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1286
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03915	1.0
54.05957	0.5
55.01855	2.1
55.05497	0.6
56.07850	0.6
59.26839	0.7
64.49438	0.6
67.05489	1.8
69.03408	2.1
69.07046	0.8
69.93084	3.5
71.04977	2.0
77.90766	0.6
79.05492	1.6
81.03408	5.9
81.07038	2.6
82.95542	0.7
83.04951	1.0
85.02882	1.5
91.05470	3.7
92.78253	0.7
93.07018	2.1
94.06550	1.1
95.04954	1.8
95.08582	1.4
97.06543	1.1
98.06080	0.8
98.36226	0.7
105.07034	1.6
107.04951	1.3
107.08574	2.4
108.04465	1.7
109.02866	2.6
109.06508	1.3
110.06067	0.7
114.71737	0.7
115.05441	2.3
117.06992	1.2
118.06499	0.8
119.04977	0.9
119.08582	1.4
121.06532	0.7
121.10169	0.9
122.06020	2.1
123.04384	1.1
124.07555	0.9
127.03882	1.3
131.04962	0.8
131.08527	1.1
132.08081	0.8
133.10110	1.2
135.04489	1.2
135.08022	2.9
136.07542	1.1
137.05882	1.0
137.09627	0.9
139.03870	3.1
140.07028	1.5
145.02766	0.8
145.06482	17.5
145.07538	0.8
145.10150	1.0
147.04433	0.7
148.03967	0.7
149.06017	0.9
150.09094	0.8
151.03839	0.8
153.01825	0.8
159.07970	0.8
160.07578	2.0
161.05949	0.9
163.03876	4.9
163.07529	2.5
163.08728	1.2
164.06860	0.7
167.07066	2.0
168.06558	1.3
174.09131	2.8
175.08652	0.9
176.07040	1.0
177.05453	1.7
177.10217	1.7
178.08620	12.6
181.05005	0.8
182.08000	0.7
184.07590	1.6
187.08730	0.8
188.07083	3.5
198.09184	1.3
201.06613	0.9
201.10219	3.0
202.08621	4.3
205.04984	1.5
205.09703	3.1
206.08165	2.1
212.06996	0.8
216.10207	2.0
219.11356	4.2
220.09711	1.2
224.37775	0.6
226.08562	2.3
229.09787	5.4
230.08098	2.7
233.04382	8.1
243.11349	1.5
244.09637	2.7
247.10805	10.4
248.09218	1.1
261.03824	5.7
261.12204	1.5
262.10760	2.2
265.11789	12.4
271.10672	1.1
272.09158	2.1
279.06454	1.4
289.11813	14.7
290.10089	0.9
307.12860	100.0
308.13263	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01852	1.0
55.05489	1.4
57.03431	1.0
57.07059	0.8
67.05492	2.1
69.03411	2.6
69.07047	1.2
71.04973	0.9
71.51295	0.8
72.34169	0.7
79.05474	2.6
81.03413	5.9
81.07045	5.2
83.04963	1.0
85.02911	1.5
90.38939	0.7
91.05460	3.5
93.07047	4.4
94.06567	0.8
94.29778	0.6
95.04960	1.4
95.08577	2.8
97.02876	0.9
97.06525	0.9
99.04449	0.9
103.05444	0.8
105.07001	2.0
107.04964	1.3
107.08568	3.2
109.02861	2.7
109.06503	2.7
109.10142	0.9
115.05416	1.1
117.03399	0.9
119.08544	2.3
121.06546	0.6
121.10117	1.3
122.06005	2.5
123.04385	0.8
123.06789	2.0
123.11701	0.8
124.07571	9.7
126.09156	4.6
127.03891	1.6
129.06967	0.7
131.08543	0.7
133.10098	0.8
135.04407	2.0
135.08057	1.9
136.07568	58.9
137.07942	0.9
138.09128	61.3
139.03894	13.1
140.03244	0.7
140.07033	2.1
145.02809	1.0
145.06483	2.9
145.10115	1.8
146.05997	1.0
147.11676	0.9
149.02347	0.8
151.03911	1.1
152.05894	1.3
152.07057	16.7
163.03891	7.1
163.07497	2.2
164.07054	100.0
165.07408	1.5
165.26331	0.8
170.08118	5.6
181.04895	1.0
182.08118	21.4
183.08485	1.1
183.69690	0.8
233.06041	1.4
272.12793	0.8
277.68240	0.7
279.06503	1.6
289.12320	0.9
289.15250	3.7
292.07458	0.8
307.05371	3.6
307.09042	1.3
307.13022	1.0
307.16324	3.1
307.19357	1.4
307.22852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88257	0.7
58.69835	0.7
68.71693	0.7
68.99794	1.3
69.66005	4.9
69.71343	0.7
85.02886	1.1
87.00816	2.8
94.06562	1.9
109.02880	0.7
115.05435	1.0
119.04942	1.7
123.04435	6.9
129.06966	0.7
130.06519	96.2
131.06868	1.2
132.04442	24.7
133.06367	0.8
139.03896	5.7
145.06448	1.2
146.05986	7.7
147.04413	4.3
151.03891	1.1
155.03384	11.7
157.07605	82.8
158.06007	100.0
159.06319	2.5
161.05939	1.1
163.03906	1.4
165.00607	0.8
165.05495	2.4
173.07127	4.0
175.08669	47.7
176.07150	1.1
176.08917	1.0
181.04950	0.8
197.07091	3.2
199.08685	2.1
201.06606	6.4
203.08168	5.5
221.09178	3.8
225.06656	0.8
229.05049	0.7
243.07642	10.9
245.09290	1.8
247.07077	2.5
261.08704	43.4
261.83658	0.7
262.08905	1.1
271.07126	1.4
289.08261	8.9
289.11215	1.3
307.09082	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	307.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89433	0.6
54.10789	0.5
54.45726	0.5
55.61735	0.5
55.97167	0.5
60.80867	0.5
71.50191	1.0
89.63279	0.6
100.94918	0.5
101.00845	0.7
114.12460	0.5
116.97240	0.5
119.01900	1.1
128.82536	0.5
136.63969	0.5
163.04539	0.6
205.05640	0.9
217.05569	1.0
241.05611	0.6
247.05182	0.7
287.40076	0.6
307.09998	100.0
308.10345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94658	4.7
65.91205	5.3
67.78175	5.8
69.76550	27.7
69.76958	9.1
69.79262	4.8
84.89358	4.8
86.79726	5.8
103.33615	4.9
119.01938	11.2
265.07770	6.0
276.55884	5.0
306.35483	6.5
307.07367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
50.70465	0.2
51.40617	0.3
53.00306	0.5
55.01865	1.0
60.78892	0.2
63.92441	0.2
65.03931	1.0
67.05504	1.1
68.99792	0.9
69.03436	0.3
70.69740	0.5
79.05498	0.6
81.03409	0.4
83.04980	0.6
84.08163	0.4
85.02934	0.5
89.03902	0.3
91.05487	0.5
93.03396	0.9
93.07085	0.3
95.04960	1.6
97.02898	0.5
107.04957	1.5
107.08520	0.3
111.00795	0.3
111.04436	1.6
117.03427	0.3
121.02879	1.1
121.06498	0.5
123.04449	1.2
127.03914	1.1
130.06526	5.0
131.04910	0.9
132.04488	1.3
133.02855	1.8
135.04439	2.7
139.03899	100.0
140.04243	0.8
144.04733	0.5
145.02771	0.5
145.05090	0.3
146.06064	0.6
149.06020	0.9
151.03915	4.3
153.01764	0.6
153.05496	0.9
155.03397	0.5
157.07603	3.8
158.06015	6.2
159.04402	1.9
161.05978	0.3
163.03903	8.8
165.05542	0.4
167.06982	0.5
169.04967	2.3
175.03885	0.3
175.08682	2.8
177.05498	3.5
179.03452	0.3
181.04945	5.3
195.06543	2.7
201.06638	0.3
205.04996	1.1
215.13858	0.3
223.05978	1.7
229.05070	0.4
243.07631	0.7
247.06053	0.8
261.08722	2.5
289.07275	0.9
307.08340	1.0
307.12793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01862	5.4
55.05510	1.8
56.05022	4.2
56.17223	1.1
56.96569	8.3
57.03438	9.9
58.99583	1.6
58.99858	1.8
61.02925	13.4
62.46768	1.3
67.05491	3.1
69.03429	26.9
70.06581	4.0
71.05001	7.7
71.50566	2.8
72.04488	1.3
73.02906	7.6
76.02233	2.9
76.03996	2.4
77.00904	2.8
81.03416	12.9
82.09852	1.2
82.99850	2.4
83.04977	2.5
84.04496	22.4
84.08136	4.0
85.01403	2.4
85.02903	52.8
85.04002	2.4
86.03218	2.0
87.04461	5.9
91.03949	4.1
95.01971	1.5
95.04961	2.2
95.16534	1.4
96.04522	1.6
97.02886	24.8
98.97568	9.6
99.04451	5.7
101.00873	27.6
103.02438	9.2
105.00354	2.2
106.34673	1.3
109.02886	8.3
110.97546	1.6
113.00856	4.9
114.05534	2.7
115.02418	14.6
116.98631	4.7
117.04049	1.8
119.01916	100.0
120.02019	4.1
121.01653	4.5
121.03486	11.4
127.02427	3.8
127.03923	16.7
128.98576	2.4
129.03979	5.6
130.05009	9.5
130.06514	1.8
131.01898	39.6
131.04578	2.1
133.01796	1.7
133.03464	38.3
133.04414	2.6
134.03522	1.8
134.99655	2.2
135.04930	2.1
137.02946	24.8
139.02509	1.5
139.03922	3.1
142.03473	4.5
142.04977	2.8
143.01898	22.2
144.04050	1.7
144.99796	2.4
145.01704	2.9
145.03453	40.2
145.04906	6.5
146.99646	1.6
147.01408	6.1
147.03145	1.8
147.05028	11.2
149.01169	2.0
149.02946	12.0
151.04532	5.2
151.06358	2.6
153.05794	1.8
155.01881	29.5
156.02734	3.2
157.01642	2.1
157.02042	2.1
157.03456	40.0
157.06458	2.0
157.07642	2.3
158.03607	1.5
158.99727	1.4
159.01414	3.6
159.03223	1.5
159.05066	13.9
160.04604	7.4
161.02962	44.1
161.05537	2.8
162.03162	1.8
162.06403	1.4
163.02654	6.5
163.04561	16.1
167.02055	1.9
168.06480	2.5
168.99802	6.1
169.03426	4.9
169.05153	3.0
171.01421	1.9
171.04994	13.2
173.02960	39.6
174.09172	1.8
175.04517	32.0
177.01025	2.0
177.02327	7.9
177.06093	5.1
180.56129	1.4
181.03545	4.1
181.05292	2.5
183.05020	2.0
184.04573	2.3
185.02905	13.1
185.06642	2.0
186.07654	6.9
187.00951	14.5
187.02730	3.2
187.04469	17.2
187.09879	2.6
189.02478	3.6
189.06099	8.2
191.02379	1.8
191.03976	6.5
193.03732	2.0
195.07118	2.3
196.04556	2.4
196.99232	4.5
197.02985	6.4
197.06828	2.0
198.06227	1.5
199.04514	13.1
200.10745	3.8
201.02440	3.4
201.06119	3.7
203.03969	15.3
205.01993	8.6
205.03700	2.4
205.05501	9.2
205.07378	2.5
209.08861	1.4
215.00381	21.0
215.04015	5.0
215.07602	2.2
217.02000	4.1
217.05618	5.8
217.07472	2.9
218.04764	2.4
219.01610	2.2
219.03619	7.6
219.07133	5.2
221.05058	38.0
222.05273	2.5
223.04773	3.8
229.02013	8.0
229.05603	4.8
231.03967	3.7
231.07133	4.5
233.01384	3.4
233.04932	2.1
233.10576	1.6
235.06583	3.8
237.02831	6.0
239.06117	1.8
241.43854	1.4
243.04327	1.5
243.07884	4.4
245.05052	16.1
246.05167	2.0
247.02982	36.2
247.06660	44.3
253.07634	2.5
257.05121	2.1
257.07620	1.6
259.06699	14.0
260.06879	2.8
261.08344	3.2
263.05991	1.9
265.04123	9.6
265.07678	64.5
270.04581	2.3
277.07605	4.4
279.09128	3.6
288.09140	3.2
289.04031	4.6
289.08374	4.3
289.11765	2.1
307.08157	95.7
307.12744	15.9
308.09131	2.2
319.08670	7.7
321.10349	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	307.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71450	0.9
55.01878	1.5
55.34946	0.9
56.05033	2.6
56.96558	2.8
57.03436	1.7
58.99574	1.0
58.99852	1.1
61.02930	10.1
63.18133	0.8
65.03922	0.9
67.05500	1.3
68.04998	0.9
69.03429	5.5
69.24529	9.3
73.02924	1.8
76.02228	1.4
77.00917	2.1
80.05014	1.1
81.03419	2.3
82.99834	2.0
84.04502	10.1
84.08118	1.8
85.02901	6.3
87.00824	1.2
95.04962	1.1
97.02906	3.1
99.04476	0.9
101.00884	19.1
101.39298	0.9
103.02451	2.0
105.07037	1.0
109.02914	1.5
109.95183	1.1
111.91403	1.0
113.00884	2.2
113.02387	2.9
113.09470	1.0
114.03729	2.2
114.05540	1.8
115.02435	10.8
116.98625	1.3
119.01923	100.0
120.02042	2.6
121.01637	2.3
121.03505	1.5
127.02459	1.2
127.03923	4.0
129.03978	2.8
130.04993	2.0
130.06541	2.4
131.01924	13.4
131.03441	1.1
132.04440	1.1
133.02469	1.8
133.03465	20.6
134.99690	1.0
135.05090	1.2
137.02960	33.4
139.02278	0.9
139.03925	8.9
140.07188	1.1
141.02255	1.0
142.03506	3.2
142.04947	1.3
143.01897	8.9
144.99811	4.6
145.03447	9.0
145.04472	1.1
145.05026	1.1
147.01410	2.1
147.05049	5.8
149.02972	4.9
151.04533	2.3
155.01921	7.6
157.03496	5.9
157.07613	2.1
158.06104	1.9
159.01381	2.2
160.04309	2.1
161.02968	25.4
163.00902	1.3
163.02603	1.3
163.04549	2.1
163.69310	1.1
165.00690	1.3
168.06668	1.1
168.99821	10.6
169.03487	1.4
170.08153	1.6
171.01453	2.9
173.02968	17.6
175.02412	1.4
175.04530	6.3
175.08630	1.4
177.02403	10.4
182.71970	0.9
184.04453	1.1
185.02945	5.5
186.07634	5.1
187.00890	27.3
187.02635	1.9
187.04526	3.0
188.01108	1.1
189.02455	3.8
189.04192	1.2
190.02248	1.2
191.02441	1.2
191.03979	4.9
193.03410	1.4
196.04347	1.0
196.99339	4.2
197.02977	2.4
199.00923	1.5
201.00748	1.2
201.02451	3.0
203.04002	4.9
205.00171	2.1
205.01961	13.0
205.03751	2.0
205.05629	2.1
208.99690	1.6
210.02495	1.4
215.00377	28.4
215.03860	2.1
216.00525	1.2
217.02016	3.3
217.05524	2.0
218.05048	1.2
219.03540	9.3
220.03352	1.5
221.05013	6.1
227.03952	1.5
229.01909	9.4
229.03857	1.4
231.04236	1.9
233.01460	3.1
235.06610	1.7
238.02089	2.4
239.06116	1.9
243.08018	2.6
245.05125	2.8
247.02985	52.4
247.06792	3.6
248.03313	1.4
251.02557	1.5
253.07658	1.3
254.59592	1.0
265.04086	12.5
265.07690	7.9
270.04599	4.1
277.07709	2.1
289.04117	5.8
289.08536	3.1
301.03888	1.0
307.05054	6.3
307.09567	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	307.0447
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
50.71773	0.3
53.00296	0.7
55.01854	0.4
55.05507	0.6
57.03425	0.5
64.05461	0.3
69.03416	0.9
71.04968	0.6
71.50244	0.5
72.42170	0.3
78.04693	0.5
79.05479	1.2
81.03423	1.8
81.07045	1.1
82.04158	0.4
85.02895	0.8
89.03954	0.5
91.05482	1.5
93.07008	0.8
95.04970	1.1
97.02885	0.6
99.00819	1.2
103.05484	1.2
105.07019	0.9
107.05010	0.8
109.02885	2.1
110.03625	0.5
111.04441	0.6
115.05512	0.4
117.03400	0.9
117.09123	1.6
118.06532	1.4
119.04939	1.3
119.08627	0.5
120.02073	0.8
121.06525	0.9
121.10190	0.4
123.08009	0.5
127.03965	0.7
131.04924	2.2
133.02831	0.5
133.10114	0.4
134.03638	1.4
135.04425	1.4
138.03114	0.9
139.03894	1.2
145.02823	1.3
145.06490	1.2
146.03682	0.4
146.05997	2.8
147.04381	1.3
147.08130	0.5
148.01544	1.1
149.05965	2.7
150.03119	0.8
151.21097	0.4
158.05989	0.5
159.04398	1.5
162.03113	14.0
162.05472	1.1
163.03888	2.3
163.07549	0.8
165.01842	5.8
165.05443	1.1
173.02415	0.8
175.03908	1.0
175.08743	0.4
176.01036	0.7
177.05463	18.6
178.02591	1.2
178.05827	0.5
179.03328	0.5
181.05078	0.4
183.02913	0.4
183.53531	0.4
187.03886	0.8
190.01234	0.4
190.02605	15.1
191.03386	23.0
191.08130	1.5
192.04121	2.6
193.05008	1.7
202.43489	0.4
205.04956	50.2
206.02159	0.6
206.05338	1.0
207.06755	0.4
215.03377	1.4
218.02121	7.0
219.02843	2.1
220.03624	0.8
221.04453	5.4
223.05823	0.6
233.04440	100.0
234.04730	1.8
235.05963	0.4
237.03935	13.2
245.12782	0.6
246.01636	0.8
248.03157	0.8
251.05516	0.9
261.03946	26.5
262.04276	0.8
263.05457	2.9
271.10742	0.7
279.04889	2.6
289.03415	2.9
289.11777	0.6
307.04459	52.3
307.12570	1.2
308.04819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
57.07064	0.1
58.02953	0.2
66.04719	0.2
67.05501	0.2
69.07074	1.3
73.09781	0.1
79.05483	0.7
81.07057	0.8
81.21754	0.1
84.08134	0.2
91.05473	0.6
93.07035	0.4
94.04183	1.8
95.04933	0.2
95.08601	0.3
97.06538	0.3
100.07617	0.2
105.07040	0.2
107.04952	0.3
107.08620	0.7
109.06508	0.4
109.10152	0.6
111.11684	0.1
111.90996	0.1
114.09174	0.5
122.03645	5.9
123.11691	0.1
126.09157	0.4
133.10118	0.9
135.11688	1.2
137.05974	100.0
138.06313	1.5
138.12714	0.1
143.92117	0.1
147.11674	0.3
151.11166	0.4
153.12755	1.3
170.15407	2.4
182.15411	2.4
306.17093	0.2
306.20584	1.4
319.29269	0.1
321.63913	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75643	0.3
50.91758	0.3
57.06793	0.6
57.07070	6.3
58.06598	2.5
58.84539	0.3
66.99402	0.3
70.06590	24.7
70.11790	1.7
71.08628	4.0
72.08146	3.5
81.03400	1.0
81.07043	0.5
84.08140	2.7
86.09698	3.1
88.07628	12.1
89.06003	0.9
89.96268	0.4
95.08609	0.8
98.20891	0.4
100.07513	0.4
102.09180	6.0
109.02872	0.5
110.65746	0.3
114.09166	0.8
132.10191	8.7
145.06456	0.7
146.11752	8.4
156.17497	3.2
163.03908	0.9
182.19012	1.3
200.20093	25.1
201.20453	0.7
218.20726	0.3
244.22717	41.4
245.23106	1.2
279.96130	0.3
288.25342	1.8
306.26382	100.0
307.08279	0.4
307.26770	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	306.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.12064	0.3
55.05491	0.4
57.03423	1.6
58.99582	0.7
61.02910	1.7
61.05899	0.4
63.45373	0.4
65.03931	2.2
67.05491	0.5
68.05032	2.3
69.03429	6.1
69.85361	1.0
69.85772	1.1
71.04976	0.8
73.02895	1.6
81.03404	1.5
83.04957	0.9
84.04492	1.4
84.08136	6.0
85.01135	2.5
85.02899	13.1
86.09667	0.6
87.04462	0.9
91.03904	0.3
97.01090	0.4
97.02873	3.0
98.00650	2.4
99.02677	4.8
99.04439	1.1
103.03931	1.0
109.02885	1.8
112.02184	0.6
113.02964	3.4
119.04945	0.4
123.04417	1.0
126.03731	26.9
127.03889	2.6
127.04556	2.2
130.06561	2.2
132.04434	0.9
139.03891	1.0
140.04271	0.5
141.13864	0.7
144.04773	100.0
145.05040	2.9
146.05986	0.5
151.03946	0.8
152.04291	0.5
155.03372	0.4
157.07542	1.8
158.05972	2.4
159.11543	0.5
172.04524	0.4
175.08655	1.4
186.05852	3.0
192.54219	0.4
215.13924	2.1
216.08492	0.5
243.17023	2.5
261.08670	0.6
288.05975	0.6
288.09976	0.4
306.06509	0.8
306.09976	10.2
307.10641	0.4
307.16681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03947	1.5
55.01857	1.6
55.05508	13.9
56.05032	1.3
57.03432	1.7
57.07064	4.6
58.06597	1.9
60.04517	1.4
65.03941	1.6
67.05502	17.0
69.03425	3.3
69.07070	17.9
70.55629	4.1
71.04994	2.9
79.05494	24.7
81.07056	100.0
82.07393	1.8
83.04973	2.5
83.08614	8.7
86.06078	2.0
88.07630	10.8
89.06123	1.4
91.05483	13.4
93.07042	30.5
95.04963	3.7
95.08605	43.8
97.06522	3.1
97.10181	3.9
99.08099	2.0
100.04416	1.2
105.07030	22.1
107.08594	56.8
109.06509	4.9
109.10152	24.6
111.08073	8.7
117.07028	3.0
119.08584	20.8
121.10145	24.9
123.08068	2.5
123.11704	11.8
125.09629	60.8
127.03937	5.2
130.06509	1.5
131.08560	6.9
132.10225	2.7
133.10126	18.0
135.08031	2.6
135.11684	16.9
137.09612	4.0
137.13260	6.1
139.11189	3.1
143.08539	3.8
145.10114	11.6
147.11700	14.2
149.09625	2.4
149.13271	19.3
151.03987	2.4
151.11212	5.6
155.86227	1.3
157.10138	6.0
159.09152	1.4
159.11691	11.2
161.09576	1.8
161.13234	10.8
163.11165	2.5
163.14844	4.8
165.12715	4.3
171.11687	3.8
173.13268	7.7
175.14824	8.9
177.12723	1.5
177.16423	3.7
179.14363	1.4
185.13226	6.3
187.14841	6.1
189.16428	6.6
191.14407	2.0
195.13783	1.5
199.14862	4.9
201.16420	5.4
203.17984	2.5
205.15880	6.4
207.17410	2.0
213.16353	4.0
214.21634	12.8
217.15897	2.0
219.17445	5.1
227.17960	3.3
229.19510	8.0
231.17404	2.4
248.84639	1.7
249.18657	1.5
257.22672	2.6
258.24316	3.7
259.24231	2.1
269.22678	5.4
275.23615	2.0
287.20422	2.2
287.23602	14.5
305.05942	3.2
305.11594	1.8
305.21359	2.8
305.24789	31.1
306.26398	38.8
322.25903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03926	2.4
55.01854	7.1
55.05505	22.7
57.03416	3.4
57.07059	6.3
57.80881	1.8
58.85740	1.9
59.05008	2.6
59.31704	2.1
60.68310	2.0
61.02927	2.4
67.05190	2.1
67.05507	25.9
69.03423	5.2
69.07063	32.9
70.74983	2.3
70.75338	4.4
71.04986	10.4
77.81508	2.0
78.88175	2.0
79.05491	17.9
81.06599	3.9
81.07050	67.0
83.04973	8.0
83.08609	13.6
85.06517	8.4
91.05472	19.3
93.07042	49.9
95.04939	7.4
95.08601	79.5
97.06523	7.4
97.10142	9.0
98.97584	2.1
99.08036	2.9
105.07019	36.9
107.04925	2.1
107.07893	4.5
107.08589	64.0
109.02888	3.0
109.06508	3.9
109.10151	51.6
111.08075	4.6
111.11713	5.0
115.07549	9.3
117.06987	5.6
119.08575	37.7
121.10131	57.4
122.10462	2.6
123.04402	4.3
123.08043	3.9
123.11683	25.3
125.09631	6.1
127.03919	16.5
129.06963	4.3
129.09099	2.8
131.08560	9.6
133.06483	2.1
133.10123	33.4
135.08060	2.7
135.11687	42.0
137.05946	6.9
137.09590	4.2
137.13246	13.4
139.03828	4.1
139.11137	5.7
143.08563	8.0
143.10629	5.3
145.10104	19.6
147.11679	32.7
149.13234	29.1
151.03886	9.4
151.11148	2.6
151.14801	3.3
157.10104	8.5
159.11694	19.3
161.13251	26.6
163.11148	2.6
163.14793	23.4
165.12753	5.3
169.09991	2.1
171.11658	7.7
173.13254	15.5
175.03897	2.4
175.14812	24.6
177.16353	15.8
179.03423	4.4
179.14276	3.3
185.13263	12.7
186.09207	3.2
187.14786	13.5
189.16367	22.1
190.17230	2.9
191.14291	3.9
191.17949	13.5
191.19441	2.3
198.08128	2.9
199.14769	9.3
201.16414	9.8
203.17928	8.0
213.16457	10.9
215.17989	5.0
217.16029	4.1
217.19502	34.3
226.07431	5.1
227.17882	12.8
229.19453	8.7
241.19542	3.5
243.21054	3.7
245.19113	3.0
245.22618	8.1
257.22678	5.9
259.09695	11.4
259.24268	7.2
269.22580	20.7
284.42435	2.2
287.10309	25.7
287.13272	4.3
287.23682	46.4
288.10382	4.1
305.05518	17.1
305.24719	100.0
306.25067	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	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	2.8
55.01875	2.0
55.05509	23.8
57.07071	8.6
63.68119	1.8
67.05511	24.9
69.03415	4.0
69.07063	39.7
69.83392	8.2
71.04983	8.2
79.05486	20.6
81.03404	3.6
81.07051	61.0
82.83424	1.6
83.04958	6.2
83.08604	13.2
85.06520	7.1
91.05471	15.2
93.06489	3.2
93.07037	49.1
95.04947	6.6
95.08603	77.7
96.08901	2.3
97.06515	7.2
97.10155	8.8
99.08072	4.3
100.26193	1.6
101.05978	3.2
105.07027	35.3
107.08585	65.3
109.02837	3.5
109.06523	5.3
109.10146	42.8
111.08067	4.1
111.11700	4.3
112.57288	1.7
115.07570	12.9
117.07007	5.6
119.08578	43.0
121.10135	66.8
122.10545	2.4
123.04400	6.5
123.08077	5.1
123.11716	24.7
125.09618	7.1
126.09160	2.0
127.03915	17.7
129.07011	3.4
129.09097	2.5
131.08569	12.2
132.74684	1.6
133.10117	29.8
135.08012	2.5
135.11678	32.6
137.06042	2.3
137.09639	2.3
137.13235	13.0
139.03880	4.0
139.11159	3.1
142.07802	2.7
143.08539	6.9
143.10646	4.1
144.09277	2.6
145.10117	17.1
147.04385	1.8
147.11682	28.8
149.02356	1.8
149.09613	2.1
149.13254	26.0
151.03880	7.4
151.11089	2.4
151.14807	2.4
153.01804	1.9
155.10727	1.8
157.10136	10.7
158.92204	1.9
159.11678	21.0
161.13240	27.2
163.14809	23.7
165.12526	2.4
171.11717	6.3
173.13252	14.8
175.14819	20.3
175.63751	1.8
177.12801	1.9
177.16368	11.7
179.03354	5.7
179.14281	1.7
181.12242	2.2
185.13286	9.5
187.14827	13.3
189.16382	16.5
191.14304	3.0
191.17928	14.7
198.67514	2.0
199.14803	9.2
201.16357	13.0
203.03551	2.0
203.14272	3.1
203.17970	5.7
205.19458	3.4
210.27228	1.8
213.16400	11.5
215.17943	6.5
217.15990	4.6
217.19511	44.9
227.17896	9.6
229.19463	9.3
231.06451	3.8
231.21042	2.3
235.17024	3.1
243.21133	3.5
245.22594	10.2
249.07504	1.8
257.22629	7.0
259.24142	6.8
269.22601	22.1
275.23785	1.8
277.25232	3.5
287.05478	4.2
287.23663	33.8
305.05490	20.9
305.24725	100.0
306.07013	2.2
306.16818	2.7
306.25058	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
54.94983	1.6
55.00047	1.6
55.05502	14.5
57.07071	4.2
65.03928	1.6
67.05504	10.1
68.99828	2.6
69.03428	2.3
69.06734	2.0
69.07069	18.5
70.96506	3.4
70.96851	2.0
71.04988	3.3
79.05486	11.2
81.07057	30.1
83.08611	6.1
85.06529	5.9
90.26042	1.8
91.05457	7.8
93.07039	24.3
95.04926	2.6
95.08601	37.7
97.06486	2.3
97.10172	3.4
99.08099	1.8
101.05992	1.8
105.07030	20.7
107.08595	38.3
109.06490	2.0
109.10146	24.3
115.07565	6.6
119.08581	24.8
121.10155	28.5
123.04384	2.1
123.11705	15.2
125.09590	2.2
127.03897	1.5
129.07040	2.0
131.08545	5.5
133.10114	16.3
135.11681	24.1
137.02315	3.0
137.13231	6.7
141.09102	2.1
143.08528	4.5
143.10674	3.6
145.10081	8.2
147.11676	18.9
149.13258	15.2
153.01874	4.5
154.02200	2.2
155.02286	3.6
156.09415	1.8
157.10118	6.9
159.11700	10.9
161.13274	14.8
163.14835	12.5
165.12758	2.6
169.12149	2.1
171.11662	4.8
173.13287	8.4
175.14760	16.2
177.12738	1.5
177.16368	8.4
180.75873	2.1
185.13292	4.9
187.14806	6.0
189.16400	17.9
190.17070	4.1
191.17929	9.9
199.14803	4.4
201.16399	7.0
203.06070	1.8
203.17943	3.9
208.29916	1.9
213.16391	7.5
215.17992	4.5
217.15938	3.8
217.19508	27.3
227.17851	8.5
229.05124	2.6
229.19571	5.3
231.05502	5.1
231.17444	2.6
232.23242	1.8
243.21202	1.9
245.22728	7.8
257.22757	4.5
259.05035	2.1
259.24283	2.9
269.22556	12.7
287.05243	1.6
287.23645	22.0
305.05545	100.0
305.24731	65.2
305.28244	3.0
306.05786	5.0
306.25079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	4.9
55.05516	21.9
57.07059	7.4
59.76908	2.1
60.64837	2.0
65.03947	3.4
67.05504	31.3
69.03424	5.2
69.07066	47.1
70.46618	4.0
70.46988	4.4
71.04996	2.7
78.08582	1.9
78.85438	1.9
79.05492	29.2
81.07058	100.0
82.07393	2.3
83.08647	14.2
85.06579	2.6
88.07618	2.9
91.05470	21.4
93.07037	52.6
95.04954	5.0
95.08608	70.5
97.06528	9.4
97.10141	7.9
98.21444	2.5
105.07022	44.5
107.07885	4.7
107.08595	71.8
109.06505	8.5
109.09389	2.8
109.10151	55.7
111.08040	6.9
111.11711	9.0
117.07021	7.6
119.08579	44.9
119.73174	2.3
121.06506	4.1
121.10145	50.1
123.08033	4.5
123.11718	22.7
125.09621	8.1
127.03874	8.3
129.06998	5.0
131.08569	20.0
133.10135	40.0
135.08057	5.0
135.11702	34.7
137.09633	4.8
137.13240	8.3
138.55315	2.2
143.08536	8.9
144.09253	3.2
145.10126	40.5
147.07962	2.7
147.11699	30.9
148.80455	2.1
149.09605	6.4
149.13263	43.9
151.03912	3.8
151.11195	17.5
156.09360	3.0
157.10156	11.7
159.11696	38.9
161.09627	3.9
161.13261	20.0
163.11177	12.6
163.14835	9.8
165.12720	5.0
171.11670	8.5
173.13258	13.9
175.11157	2.7
175.14822	23.2
177.12726	26.3
177.16373	6.1
179.14330	2.5
185.13237	8.0
187.14830	9.8
189.12764	6.3
189.16348	9.5
191.14322	7.6
193.15865	5.1
194.37692	2.4
195.13783	7.3
199.14868	14.0
201.16359	8.4
203.14243	3.6
203.17957	9.4
205.15852	6.6
213.16396	13.3
215.17816	3.9
217.15974	3.0
227.17987	5.5
229.19569	11.8
229.21672	2.7
231.17418	7.1
231.21133	3.1
233.04802	2.1
241.19536	3.1
243.21109	3.3
257.22678	3.5
259.24338	5.1
269.22678	33.2
275.23669	5.4
287.23666	49.4
305.05719	5.3
305.24738	78.3
306.25214	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	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	1.3
54.59912	0.8
54.85892	0.9
55.01863	1.3
55.05266	1.0
55.05509	10.3
57.03429	0.8
57.07085	4.6
59.04978	0.9
60.07438	0.7
61.02916	1.3
65.03929	1.3
67.05504	12.2
68.05846	0.8
68.99780	2.2
69.07069	16.9
69.88174	3.9
69.88593	1.3
71.04981	3.4
73.06522	1.0
79.05496	8.6
81.03387	1.1
81.07053	26.3
83.08620	6.8
85.06537	4.8
91.05476	7.4
93.07039	23.9
95.04948	2.4
95.08606	39.9
97.06512	4.3
97.10168	4.0
97.96069	0.8
98.20869	1.1
99.08080	1.8
101.05973	1.2
105.07031	18.7
107.08591	33.8
109.02907	0.8
109.10155	23.3
111.08081	1.7
111.11710	2.4
111.82361	0.7
115.07559	6.9
117.07008	2.5
119.08583	23.5
121.02866	1.3
121.10144	31.9
122.03180	1.1
123.04465	0.8
123.08029	1.4
123.11700	13.0
125.09653	1.1
127.03965	1.2
129.07010	1.3
131.08572	5.4
132.88277	0.8
133.09137	1.3
133.10124	17.1
135.10699	1.6
135.11685	20.0
137.02362	3.8
137.03308	1.0
137.09613	1.1
137.13255	7.1
138.02678	1.8
139.02776	1.7
139.11147	1.1
139.78801	0.7
142.07747	0.9
143.08537	2.9
143.10655	3.1
145.10123	8.6
147.11681	15.2
149.13272	13.4
151.11142	0.9
153.01817	3.9
154.02200	2.4
155.02286	5.4
155.04890	1.0
155.10712	1.0
156.09341	0.9
157.10139	5.5
159.11705	10.5
161.13252	13.6
163.14822	13.1
165.01828	1.7
165.12737	1.7
167.02440	1.6
171.11656	3.8
173.13280	7.1
175.14827	13.9
177.16373	5.4
185.13235	4.8
187.14813	6.4
189.16388	12.3
190.17137	1.4
191.17940	10.0
193.15836	1.3
199.14854	4.4
201.05453	2.3
201.16386	6.2
203.06055	2.4
203.14401	1.3
203.18019	4.3
205.19534	1.9
213.16357	4.8
215.17923	2.8
217.15984	1.2
217.19513	20.2
218.19771	0.8
223.16908	1.3
225.16397	0.9
227.17943	6.5
229.04933	2.3
229.19543	5.7
230.05247	1.3
231.05473	6.2
231.17447	1.0
233.72696	0.9
235.16953	1.1
241.19670	0.9
243.21056	1.9
245.18840	1.7
245.22676	5.3
257.22617	3.6
259.05017	4.3
259.24185	2.8
269.22632	11.6
275.23639	0.9
287.04507	1.8
287.23703	18.2
305.05527	100.0
305.24731	52.3
306.05814	6.7
306.25073	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	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	2.4
55.05507	22.8
57.03425	2.5
57.07061	7.8
65.03940	2.1
67.05502	24.4
69.03426	4.6
69.07067	40.6
69.84564	7.0
71.04981	5.7
73.11518	1.7
79.05484	17.8
81.03409	2.6
81.07047	52.4
83.04951	4.9
83.08617	16.7
85.02931	2.3
85.06535	10.0
91.05463	20.4
93.07039	49.6
93.07635	2.9
95.04970	4.3
95.08604	75.7
97.06534	4.5
97.10155	7.3
98.09830	1.8
99.08054	4.6
101.06008	3.1
105.07026	40.2
107.08588	61.4
107.09312	3.7
109.02870	2.8
109.06499	5.0
109.10151	45.5
111.08065	3.3
111.11677	4.2
115.07558	11.9
117.07012	4.8
119.08574	39.1
121.10143	59.9
123.04459	4.6
123.08060	4.4
123.11694	26.4
125.09623	5.6
127.03898	15.3
127.06031	2.1
129.06979	2.4
131.08560	10.4
133.10121	25.8
135.08070	2.3
135.11687	32.9
137.09590	5.5
137.13245	10.9
139.03871	3.3
139.11137	2.8
143.08514	5.2
143.10672	5.3
145.10110	16.6
147.04395	2.0
147.11671	25.7
149.13255	26.2
151.03915	7.0
151.11066	2.5
151.14738	2.7
154.40077	1.8
155.10611	2.6
156.09366	3.4
157.10101	10.2
159.11697	19.7
161.13226	27.2
162.05492	2.2
162.78705	1.8
163.11165	4.5
163.14828	24.3
165.01819	2.2
171.11652	7.6
173.13245	12.1
175.03917	2.3
175.11192	2.1
175.14790	19.5
177.12782	3.6
177.16397	14.2
179.03377	8.4
183.02908	3.1
185.13223	8.4
187.14793	11.9
189.16380	14.4
191.14284	3.6
191.17912	16.9
199.14780	7.6
201.16344	11.6
203.17923	4.5
205.19482	2.7
213.16345	8.4
214.17213	2.6
215.17868	4.7
217.08664	2.0
217.15910	5.5
217.19521	39.5
219.21262	1.8
227.17957	10.6
228.18405	2.5
229.19562	9.7
231.17448	3.7
241.19513	2.4
243.21024	3.8
245.18907	2.3
245.22641	6.8
249.07628	2.3
257.22592	5.9
259.24170	4.8
269.22595	20.8
277.25049	2.6
280.48706	2.0
287.05469	3.2
287.13010	2.3
287.23645	33.7
305.05621	23.1
305.24710	100.0
306.17249	2.4
306.24960	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	305.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43444	0.8
55.01869	5.3
56.96557	3.4
57.03422	0.9
57.58402	0.8
60.09164	0.8
61.02937	1.0
67.06173	0.8
69.03423	2.2
69.70943	6.0
71.04984	1.2
73.02914	2.3
77.62720	0.8
79.05479	1.2
81.03403	3.1
83.04953	1.3
85.02884	2.0
95.04928	1.2
97.02883	1.5
98.21471	1.9
98.97583	4.3
99.04497	1.4
103.05448	1.1
105.07011	0.9
107.04923	1.3
109.02852	2.0
110.97556	1.0
111.04395	0.8
115.05453	1.1
116.98601	2.7
119.01902	2.5
123.04411	2.9
124.07570	3.1
125.07924	3.5
127.03915	4.4
128.06194	1.2
128.98566	1.4
129.06985	1.4
130.06520	10.8
131.08569	1.3
132.04425	1.0
132.08098	1.7
134.05992	4.7
135.04445	1.0
139.03873	2.7
141.07019	1.1
142.08636	1.0
143.01828	0.9
144.10281	0.8
145.06433	1.3
146.06023	7.5
147.06799	1.7
151.03848	3.9
153.01825	2.3
155.03264	1.5
156.04431	3.5
156.08070	6.6
157.07637	1.1
158.06009	22.1
158.09688	1.1
159.06752	1.9
160.07564	23.2
161.02969	4.7
166.06514	1.1
167.07141	1.3
168.07979	1.3
169.06506	1.6
170.05978	13.2
170.09656	1.2
171.06787	5.0
172.07542	4.9
173.02879	1.4
173.07085	8.6
174.05499	3.9
177.00650	1.2
179.03352	1.4
183.06723	4.9
184.07567	77.1
185.08278	5.1
186.05502	8.4
186.09122	38.2
187.08681	2.6
188.07076	5.3
196.07587	3.9
198.05415	1.6
198.09167	7.5
200.07108	2.2
202.08618	20.7
203.03638	2.0
210.05455	1.7
212.07050	47.9
213.07478	1.1
214.08623	7.1
215.08139	9.2
216.06535	11.4
218.99826	1.0
219.01846	2.0
224.06972	2.6
226.08611	1.2
228.06499	12.1
230.05818	2.1
230.08099	41.5
231.08400	1.4
232.09630	13.4
233.09215	20.7
234.09511	1.6
237.02803	2.8
242.08147	6.2
244.09685	9.6
245.04559	1.8
245.09312	1.7
246.07622	1.1
258.07590	12.8
259.07196	1.9
259.10742	1.0
261.12326	25.1
262.12949	1.1
276.08652	100.0
277.08936	2.7
287.05521	1.9
287.10095	4.3
288.08597	22.7
294.82639	1.0
305.06314	1.0
305.07501	1.1
305.11365	22.5
306.11639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
52.50632	0.7
55.01865	1.7
55.05510	1.6
57.03421	0.9
60.29575	0.7
65.03941	3.6
65.99077	0.8
67.01858	1.8
67.05486	2.8
68.99784	4.3
69.03407	2.4
69.57352	5.8
71.04979	0.8
72.70371	0.7
73.06542	0.9
77.03936	1.1
77.40295	0.8
79.05492	1.5
80.77176	0.7
81.03403	2.3
81.07063	2.0
83.01267	0.8
83.04955	1.4
91.05461	1.9
93.03384	1.3
93.07039	1.1
94.06611	1.1
94.80984	0.8
95.04948	5.3
95.08572	1.1
97.10152	1.0
98.21499	1.3
105.03371	2.4
105.07027	1.8
107.04942	1.0
107.08572	0.8
109.02876	4.1
109.10155	1.0
111.00805	1.2
111.04440	6.0
115.05427	1.5
115.07539	1.4
117.07025	1.1
119.04931	1.8
119.08589	1.5
121.02869	12.0
122.06012	0.9
123.04423	68.1
124.04718	0.8
127.03906	15.1
128.06264	1.1
129.06964	1.1
130.06520	3.9
131.08527	1.0
133.02850	4.3
133.06499	1.2
135.04396	2.8
136.07552	0.9
136.46899	0.8
137.02319	1.2
137.05965	9.1
139.03896	19.0
143.04834	0.9
145.06485	1.1
145.07571	0.9
146.06018	1.4
147.04393	4.3
147.07988	0.9
149.02336	73.9
150.03003	1.7
151.03909	10.2
153.01823	100.0
154.02182	1.5
155.03374	1.5
157.06488	5.3
158.06013	7.5
159.11574	0.9
160.05180	1.3
161.02345	6.2
161.06042	1.3
163.03882	2.2
167.03395	11.9
171.02936	1.3
171.04398	1.8
173.07129	3.2
174.05537	1.1
175.03859	3.9
175.07526	3.4
177.05417	1.4
179.03401	7.1
179.06996	2.1
185.05983	8.7
189.05449	1.0
195.02898	16.0
203.03378	4.2
203.07059	1.0
213.05460	15.5
215.08670	0.8
217.04994	1.1
220.73262	0.7
229.04942	1.1
231.06505	50.8
232.06844	1.6
241.04964	7.3
243.00841	0.8
245.04625	1.0
258.05139	1.4
259.05963	59.5
260.06226	1.4
269.08960	0.8
277.08661	1.2
287.05408	19.9
287.10345	1.0
287.13889	3.9
305.06454	12.0
305.10327	1.5
305.14606	3.9
308.65540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.9
53.63910	1.2
55.92749	1.3
56.96564	100.0
57.03412	3.5
58.99839	1.7
61.02901	4.0
66.10091	1.4
69.03434	9.9
70.06557	2.0
70.98119	27.3
71.04967	2.3
71.50562	1.4
71.95255	6.7
72.96019	3.0
73.02871	1.5
74.97581	2.9
75.86403	1.2
81.03384	2.3
81.04549	8.5
84.04459	1.3
84.96026	9.1
85.02908	16.1
85.06502	3.4
85.55907	1.1
85.85532	1.6
86.99317	1.5
88.99160	12.7
92.79340	1.4
94.99804	1.1
95.06041	4.8
97.02888	12.8
98.97581	84.0
99.78626	1.4
101.00838	5.6
107.00148	3.1
109.02828	1.5
110.97574	7.5
112.99108	3.4
113.00782	1.3
115.00668	2.7
115.02436	2.2
115.03893	1.5
116.98621	56.0
119.01911	13.6
121.01630	1.7
124.95454	8.1
124.99106	1.9
125.02359	13.9
125.07124	10.6
126.96983	1.2
127.03884	2.9
128.98595	11.5
129.03923	1.7
131.00217	7.1
131.01889	10.2
131.05547	9.3
133.01662	5.8
133.03447	6.7
134.98686	1.5
134.99655	27.6
137.02934	2.5
138.93755	1.3
140.00140	3.2
140.98579	2.9
141.01129	2.0
141.06499	1.8
142.96518	15.7
143.00096	5.5
143.01860	5.9
143.03374	12.5
143.07065	2.4
143.08145	40.5
144.98018	3.6
145.01610	3.1
145.03453	7.8
146.99660	11.2
147.03197	1.6
147.04987	2.4
149.01178	2.6
149.02884	1.9
149.06601	12.1
151.02727	2.0
153.00627	2.1
153.01785	6.9
154.96541	1.5
155.01891	7.4
156.02609	2.9
156.98024	2.2
157.03391	5.4
158.99657	11.8
159.04993	3.2
160.97586	9.8
161.01253	7.9
161.02876	7.7
161.06604	11.0
162.99068	3.2
163.02641	1.8
165.00740	6.7
170.95967	8.6
170.99614	2.4
171.04973	1.9
172.97588	8.5
173.01138	3.7
173.02846	10.5
173.06587	7.7
174.99174	10.3
175.02736	1.9
175.04427	2.5
175.05972	1.3
177.00723	11.2
177.04291	1.6
179.02139	2.0
179.05507	1.9
179.07640	3.0
184.97530	5.3
185.01331	1.5
185.02933	3.6
185.06583	10.4
186.99020	2.1
187.08174	2.3
188.54898	1.5
188.97069	33.0
189.00729	10.8
189.06125	1.5
190.95450	1.8
190.98657	23.3
191.02203	6.3
193.00192	11.7
195.01672	1.8
195.05324	2.0
195.53812	1.9
197.02867	3.0
197.06519	5.2
199.08171	2.2
201.00529	3.1
202.98634	19.7
203.02217	5.3
203.03941	6.7
203.05779	1.7
203.07622	15.3
205.00223	13.0
206.98116	20.5
207.01735	7.2
208.99611	5.4
209.03178	1.4
211.01186	1.5
212.96970	2.6
214.98532	5.0
215.07635	18.6
217.00075	3.5
217.09100	3.9
219.01663	4.9
220.14288	1.4
220.99712	17.8
221.03218	2.1
221.05048	17.1
223.01094	5.3
224.99091	2.8
227.07523	2.8
230.98103	25.5
232.99725	13.7
235.01155	6.4
237.02750	5.0
239.00629	3.5
239.07648	3.1
244.99579	4.8
245.05139	10.3
245.08759	3.3
248.99158	15.1
249.02881	1.8
251.00552	3.2
253.99541	2.4
257.08453	2.5
259.01556	1.7
263.00729	24.9
275.09549	4.7
277.02579	3.6
281.01773	22.0
282.02084	1.8
286.02179	1.5
287.00827	2.5
287.09637	5.0
295.06839	2.1
299.02621	2.9
303.01108	2.9
305.01736	19.5
305.05240	4.2
305.11047	65.7
323.06461	7.3
323.11679	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90940	0.4
53.03930	1.0
53.14740	0.4
54.28346	0.4
55.01853	0.7
55.05500	0.6
56.05032	0.5
56.52918	0.5
56.96544	1.3
57.03416	1.4
60.04495	0.6
60.96486	0.4
61.02917	0.8
67.05499	0.9
68.05005	0.7
69.03423	3.1
69.07043	0.5
70.06565	1.7
71.50943	0.6
71.51380	0.5
73.02903	0.8
79.05497	4.9
80.05009	0.6
81.03420	1.3
81.05780	4.1
81.07038	4.0
82.02917	0.7
82.06572	1.7
83.03687	0.4
83.04976	0.5
84.04496	0.7
85.02899	6.7
86.09708	0.9
91.05472	1.0
94.06561	1.0
95.04927	0.8
96.04475	1.4
96.08121	7.5
97.02891	3.1
98.06037	1.9
98.97580	2.0
99.04420	0.5
100.07626	0.5
106.06577	0.9
107.04956	0.6
109.02846	1.3
109.05259	0.5
110.06024	1.5
112.07596	1.1
114.05599	0.8
116.98625	1.0
119.08592	0.6
122.06017	0.7
124.07578	100.0
125.02374	0.4
125.07900	0.8
127.03929	2.9
128.98605	0.6
131.04916	0.5
133.02831	0.5
134.99683	0.4
139.03879	0.9
140.07076	0.9
142.08618	16.0
145.05037	0.7
147.04420	0.7
151.03864	1.7
152.90863	0.5
153.01805	0.6
155.03392	0.5
158.06027	0.8
160.07561	1.1
161.01295	0.5
168.07857	0.4
170.05971	0.6
172.07645	0.5
173.07199	0.5
174.02794	0.4
174.05501	0.6
179.03394	0.5
184.07561	3.1
185.09215	1.5
186.09105	1.3
193.04362	0.6
202.02094	0.6
202.08583	1.1
203.03465	0.7
207.51738	0.4
212.07108	1.5
215.08119	2.6
230.01634	0.6
230.08066	2.4
232.09688	0.8
233.09213	0.7
245.04649	0.5
245.09340	0.6
258.01193	1.2
276.08688	4.1
277.07245	0.6
279.19928	0.5
286.00690	0.8
287.05536	0.7
287.10330	1.0
288.08621	0.8
304.01675	5.9
304.13626	0.7
305.07629	0.6
305.11697	3.5
309.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01865	1.6
55.05493	2.0
57.03440	7.9
60.04517	9.6
61.02913	3.2
67.01865	3.3
67.05517	2.6
68.99780	6.3
69.03432	19.3
69.06686	2.2
69.07067	43.0
70.06598	2.3
70.78150	1.4
71.04987	3.2
71.08627	19.0
71.51138	2.7
72.08152	1.9
73.02906	2.0
76.40633	1.3
79.05476	2.5
81.03414	11.4
81.07084	1.7
83.08653	2.0
84.04520	3.3
84.08133	1.3
85.02905	84.5
85.06548	1.5
86.02426	5.1
86.06060	4.6
89.03896	1.4
95.04967	4.3
95.08609	2.7
96.04501	1.5
96.08128	3.4
97.02888	50.0
97.06542	7.2
99.04443	3.6
103.03941	7.1
103.05465	1.7
107.04895	1.7
109.02871	19.2
110.02425	1.5
110.06055	1.4
111.00838	2.1
111.04459	3.2
114.09168	20.7
115.04000	1.4
122.06030	1.6
123.04424	45.6
123.08057	1.8
124.04739	1.7
124.07571	3.5
125.02251	1.7
126.05552	1.8
127.03922	26.4
130.06479	3.3
133.02785	2.5
135.04460	6.5
137.02342	3.7
137.05995	2.5
138.09143	4.7
139.03896	20.4
141.01817	1.5
141.04233	3.0
142.04985	2.4
142.08630	100.0
143.03374	2.2
143.06976	1.4
143.10727	2.6
145.04967	6.8
146.06041	1.8
147.04425	3.6
148.04703	1.7
149.02364	5.7
150.03163	2.1
151.03905	11.1
153.01810	3.4
154.04977	4.9
155.03387	58.2
156.10193	3.3
157.07666	2.0
158.06062	3.3
161.07881	1.5
163.03912	10.7
167.03424	4.9
167.07016	2.4
168.07359	2.1
175.03903	3.8
179.03366	5.8
182.08136	2.1
184.09688	83.9
185.05925	2.6
186.05542	1.4
189.05429	1.7
203.03421	2.7
208.09673	18.9
213.05431	4.0
218.37801	1.5
230.01624	1.7
230.04521	2.8
231.06488	3.3
238.10608	2.7
241.05057	2.9
242.09831	5.0
248.02919	2.0
250.10736	14.0
258.01224	1.8
259.06094	5.6
261.03854	1.8
268.11789	1.9
276.02399	1.9
277.07092	4.0
286.12805	20.9
287.05591	7.8
304.01660	11.6
304.05405	12.3
304.08771	2.0
304.14157	6.8
305.03107	1.3
305.06390	9.4
305.15625	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	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03937	0.8
55.01861	0.6
55.05509	4.4
57.07060	2.2
58.51922	0.5
65.03925	1.0
67.05504	7.6
68.99775	2.1
69.03423	2.6
69.07063	10.0
70.06574	1.0
71.04993	1.9
71.08617	1.0
79.05494	5.2
81.03413	1.1
81.06596	1.1
81.07052	13.9
83.04981	0.7
83.08624	3.1
85.06522	1.0
88.07615	1.4
91.05480	7.3
93.06489	0.9
93.07042	12.5
95.04961	3.5
95.07990	0.8
95.08601	14.2
97.06509	1.6
97.10162	1.3
105.07031	13.0
107.08583	14.0
109.02861	1.0
109.06499	1.9
109.10153	14.2
111.00776	2.8
111.08092	1.0
111.11687	0.6
113.05985	0.9
115.05434	0.8
117.07021	2.1
119.08582	10.7
121.02834	2.4
121.06501	2.4
121.10142	13.1
123.04404	1.5
123.08052	1.1
123.11700	4.2
125.05984	0.9
125.09635	1.0
128.69940	0.5
129.06992	1.0
131.08551	3.4
133.10112	8.1
135.08076	2.2
135.11671	8.1
135.12625	0.9
137.02330	7.8
137.03346	1.0
137.05986	0.9
137.09573	1.6
137.13255	1.7
139.07524	0.9
139.11206	1.1
143.08565	1.1
145.06493	1.5
145.10121	6.5
147.04405	1.1
147.08008	1.1
147.11674	7.0
149.02283	1.1
149.05911	0.7
149.09595	2.2
149.13261	3.2
151.03853	1.5
151.07549	0.7
151.11172	0.8
153.01822	10.6
153.06975	0.7
155.04854	1.1
155.08459	0.8
157.10114	1.5
159.04314	0.6
159.08089	0.8
159.11690	5.2
161.06001	1.0
161.09605	2.4
161.13255	4.2
163.03874	1.8
163.11179	2.1
163.14832	1.3
165.01820	3.9
165.07014	1.2
165.09160	0.6
165.12701	1.1
167.10757	0.6
169.10141	0.9
171.11597	1.1
173.05988	1.5
173.09605	1.3
173.13271	3.4
175.11147	1.8
175.14813	3.4
177.05428	0.6
177.09096	1.2
177.12767	0.6
177.16393	1.0
179.10689	0.9
181.06422	0.6
183.02872	1.7
183.04366	1.1
183.08145	0.5
185.09628	0.6
185.13222	1.4
187.03865	1.1
187.11162	0.6
187.14790	2.8
189.12689	1.1
189.16353	1.5
189.79974	0.6
191.10680	1.0
193.12289	1.3
195.02870	0.7
197.09531	0.6
197.13205	0.7
199.14839	1.1
201.05473	4.1
201.12746	0.8
201.16380	3.0
203.17944	3.1
207.13806	0.9
211.14821	1.5
215.14423	0.9
215.17871	1.4
219.06502	0.8
219.13715	0.6
221.15425	0.7
228.04292	0.7
229.04956	10.8
229.15846	2.1
233.15363	1.2
242.24747	1.0
243.21063	2.9
247.05962	1.7
247.16846	1.8
257.04449	6.5
257.22641	2.9
267.21118	1.4
271.09763	0.8
274.04688	1.7
275.05408	0.8
285.03912	2.4
285.22119	5.4
288.09891	0.6
303.04965	100.0
303.19855	1.3
303.23108	18.8
304.05258	7.4
304.23245	0.8
304.28552	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03923	1.2
55.05519	5.7
57.07079	1.2
60.74482	0.7
65.03938	1.1
67.05506	9.8
68.99786	3.3
69.03422	2.6
69.07066	21.5
70.64215	2.9
71.04977	1.8
78.79044	0.7
79.05493	5.7
81.03405	1.4
81.07059	16.5
83.04993	1.0
83.08601	2.8
91.05480	8.1
93.07045	13.5
95.04961	4.4
95.08607	14.7
96.47705	0.7
97.06531	1.9
97.10143	1.5
98.97569	2.1
99.07987	0.9
105.07024	12.3
107.04940	0.8
107.08589	16.4
108.08973	0.9
109.02857	1.8
109.06479	2.7
109.10156	13.4
111.00834	1.5
111.11732	3.9
116.98671	0.9
117.07001	2.5
119.08574	13.3
121.02849	3.2
121.06504	1.8
121.10136	12.5
123.08067	2.4
123.11713	5.7
125.06005	1.1
125.09615	1.8
131.08588	3.7
133.10110	7.9
135.08049	2.5
135.11681	12.3
137.02336	8.0
137.06024	1.2
137.09644	1.2
137.13237	2.2
139.11165	4.3
142.07764	0.9
143.08583	1.8
145.02870	0.8
145.06491	1.8
145.10133	6.9
147.07974	0.8
147.11697	13.5
149.09607	1.8
149.13232	3.0
151.03937	1.1
151.07581	0.9
151.11214	1.3
153.01823	11.7
157.02821	0.8
157.10094	1.5
159.08121	1.3
159.11678	5.3
161.09590	2.1
161.13219	4.7
163.03853	1.2
163.07500	0.9
163.11192	2.3
163.14795	1.8
165.01819	4.9
165.07013	0.8
165.12772	1.0
169.06425	0.8
171.11655	0.9
173.05949	1.8
173.09607	0.9
173.13274	4.2
175.11182	0.9
175.14841	4.6
177.12672	0.8
177.16333	1.4
179.03395	4.7
183.02960	0.9
183.04459	0.9
185.13220	1.1
187.03867	0.8
187.14807	2.5
189.16449	1.8
191.10696	1.1
193.12148	0.8
193.15849	1.8
197.05984	1.1
201.05489	5.5
201.16411	3.8
203.17934	5.3
211.07693	1.1
211.14842	1.0
225.16380	0.9
228.04301	0.9
229.04967	9.8
229.15842	1.4
230.05203	0.9
239.03506	0.8
243.06589	2.1
243.17421	1.3
243.21042	2.5
247.05952	1.7
247.16898	1.8
257.04468	5.2
257.22714	4.5
267.20966	2.1
274.04794	1.3
285.04044	1.9
285.07672	0.8
285.22189	4.7
302.04062	0.8
303.04977	100.0
303.19760	1.6
303.23157	20.0
303.26385	0.8
304.05341	8.4
304.23318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06194	0.2
55.01867	0.2
56.99459	0.2
58.52929	0.2
58.84119	0.2
65.03928	0.5
67.01851	0.2
67.05507	0.2
68.99788	1.6
70.48512	0.6
71.01369	0.2
81.03406	0.5
93.03397	0.6
95.04957	0.6
98.21291	0.3
100.27863	0.2
105.03381	0.2
109.02854	0.7
111.00792	1.6
121.02861	1.6
123.04443	0.6
127.03928	0.4
130.39813	0.2
131.04948	0.2
135.04401	0.4
137.02336	6.0
138.02666	0.3
145.06471	0.5
149.02299	0.6
153.01825	8.0
155.04901	1.0
161.05966	0.7
163.03889	1.2
165.01833	3.4
166.02669	0.4
173.05991	1.1
179.03415	0.3
183.02882	1.4
183.04391	0.7
187.03885	0.6
191.03407	0.2
195.02829	0.3
201.05484	3.4
205.04976	0.4
207.02913	0.3
219.02859	0.4
219.06551	0.6
228.04301	0.3
229.04962	7.9
230.05434	0.3
239.03375	0.3
246.05286	0.3
247.05991	1.4
251.60051	0.2
257.04422	5.2
258.04929	0.4
274.04623	1.4
275.05377	0.5
285.04010	2.5
286.04492	0.2
303.04974	100.0
304.05283	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01869	0.6
65.03940	0.6
67.01864	0.7
67.05473	0.3
68.99783	3.4
69.03426	0.4
70.65208	1.0
78.43629	0.3
81.03410	0.9
89.66094	0.3
91.05518	0.4
93.03405	0.7
95.04955	0.7
97.02879	0.4
98.21137	0.5
109.02875	1.7
111.00809	2.3
115.05432	0.4
115.90604	0.3
117.07010	0.6
121.02859	2.6
123.04456	0.7
124.40755	0.3
127.03876	0.7
131.04913	0.5
135.04385	0.5
137.02333	8.6
137.03305	0.4
145.06462	1.0
148.35091	0.3
149.02327	0.9
153.01826	12.1
155.04916	1.3
159.04431	0.4
161.05949	1.0
163.03923	1.5
165.01839	4.3
166.02596	0.6
173.05942	1.8
179.03435	0.6
183.02859	1.8
183.04427	1.0
187.03851	0.9
195.02936	0.5
201.05469	4.7
205.04932	0.5
211.03934	0.4
219.02937	0.6
219.06485	0.7
223.50638	0.3
228.04160	1.0
229.04971	11.1
230.05293	0.4
232.03760	0.4
239.03368	0.5
247.06059	1.4
257.04425	6.5
274.04721	1.2
285.03894	2.6
303.04977	100.0
304.05313	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.73817	0.3
55.01860	1.1
57.03428	0.4
61.02915	1.0
65.03931	0.8
67.05481	0.6
68.99775	1.1
69.03410	1.2
69.07049	0.5
70.06560	0.3
70.85382	0.4
70.85709	0.5
71.01334	0.5
71.04996	0.4
73.02911	0.4
79.05492	0.6
81.03400	1.0
81.07047	1.2
83.04955	0.3
85.02878	0.9
89.03909	0.7
91.05485	2.1
93.07042	0.8
95.04974	0.7
95.08591	1.1
97.02890	2.9
99.04444	1.0
99.08086	1.0
103.03931	1.0
103.05457	0.7
105.03366	0.4
105.07024	1.5
107.04932	0.6
107.08576	0.6
109.02862	0.6
109.10147	0.4
111.00784	0.6
111.04421	1.0
115.05431	1.5
117.03413	1.3
117.06987	0.5
119.04902	0.8
119.08572	0.6
120.04465	0.3
121.02848	9.2
121.10130	0.5
123.04403	1.1
123.08038	0.3
127.03950	0.6
128.06239	0.4
129.03363	0.4
129.05510	0.5
129.06970	0.8
131.04942	0.5
131.08548	0.4
133.06474	1.8
135.04399	0.8
137.02373	1.9
137.05951	0.6
139.03870	0.9
141.05434	0.4
141.06956	1.3
143.04907	0.5
145.02808	2.8
145.06467	1.2
147.04387	5.4
149.02362	1.0
151.03928	1.3
152.06215	0.7
153.01805	2.9
153.06996	0.7
155.04890	0.7
155.08554	0.8
157.02827	1.2
157.06516	1.3
159.04416	0.7
159.08049	0.6
160.05200	0.6
161.05977	7.6
162.05487	2.6
163.03917	1.4
165.01785	0.9
165.06932	1.8
167.10521	0.3
168.05698	0.5
168.71527	0.3
169.06447	1.6
171.04420	0.6
173.02347	4.9
173.05975	4.3
175.03900	6.4
176.04637	0.9
177.05461	0.9
181.06485	1.3
183.00755	0.6
183.08040	1.1
185.02344	1.0
185.05984	1.2
187.03929	0.7
187.07513	1.7
189.05453	44.0
190.05779	0.8
190.25746	0.3
191.03391	2.5
193.06458	0.7
196.05251	0.4
197.05962	4.9
199.03711	0.3
199.07481	0.7
200.04626	0.7
201.01822	12.4
201.05411	4.3
202.02135	0.6
202.06096	0.4
203.03377	2.6
207.02930	0.7
209.06004	0.6
211.07544	1.7
213.01865	1.7
213.05449	21.0
214.06018	1.0
215.03450	0.3
215.07018	3.4
217.01450	0.6
219.02916	1.7
221.05960	0.9
225.05450	6.3
226.06160	0.8
227.06995	1.1
228.04085	0.4
229.01329	9.4
229.04761	2.4
231.02847	2.3
233.00769	0.3
237.05402	0.7
239.07010	4.0
241.01289	1.1
241.04912	2.0
241.09702	0.5
242.05679	1.3
243.06488	5.4
247.02367	7.7
247.07822	0.3
248.02617	0.4
249.05467	1.6
255.06503	2.7
257.00793	20.6
257.04211	1.1
258.01111	1.0
259.02307	3.1
267.06512	5.9
273.07571	2.6
274.04749	0.4
275.01843	15.9
276.02087	0.6
285.00290	14.5
285.03522	0.5
285.07431	3.4
285.12326	2.1
286.00775	1.3
303.01331	100.0
303.04913	26.2
303.08597	9.7
303.12970	1.7
303.23166	0.6
304.01685	4.8
304.05151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01857	0.4
65.03922	0.6
67.01855	0.4
67.05479	0.4
68.99788	2.7
69.03410	0.2
69.64183	1.3
81.03399	1.1
93.03389	0.8
95.04945	0.8
96.41764	0.2
105.03387	0.2
107.04932	0.2
109.02858	1.2
111.00791	2.3
115.05415	0.3
117.07018	0.5
121.02851	2.2
123.04402	0.7
127.03889	0.6
129.06992	0.2
131.04930	0.4
135.04361	0.6
137.02335	8.0
137.03346	0.4
145.06458	0.9
149.02325	0.8
153.01811	10.6
154.02322	0.2
155.04959	1.0
155.05989	0.2
157.06441	0.3
159.04333	0.2
161.05966	0.9
163.03844	1.3
165.01833	4.7
165.03247	0.2
165.25693	0.2
166.02602	0.6
171.02780	0.2
173.05954	1.8
177.05481	0.3
177.07146	0.2
179.03365	0.3
183.02867	1.7
183.04410	1.0
184.02428	0.2
184.38763	0.2
187.03951	1.2
189.05515	0.3
191.03419	0.4
195.02872	0.6
201.05461	4.9
202.05728	0.2
205.04968	0.4
207.02858	0.5
211.03897	0.7
213.05496	0.4
215.03438	0.2
219.02892	0.2
219.06499	0.7
228.04123	0.8
229.04948	10.7
230.05247	0.3
232.03687	0.2
233.04636	0.2
239.03383	0.6
247.05969	1.8
257.04431	5.9
258.04691	0.4
274.04660	1.5
275.05423	0.4
285.03943	2.4
303.04959	100.0
304.05310	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01868	0.4
63.67661	0.1
65.03928	0.3
67.01859	0.3
68.99786	2.4
71.04137	0.2
81.03400	0.6
81.18266	0.1
93.03411	0.7
93.52071	0.2
95.04955	0.9
100.43553	0.1
103.05453	0.2
105.03361	0.2
105.67477	0.1
107.04967	0.2
108.08380	0.1
109.02886	1.0
111.00785	1.9
115.05437	0.2
117.06983	0.3
117.41196	0.2
119.04967	0.2
121.02877	2.1
123.04434	0.8
127.03911	0.6
128.06189	0.2
129.06981	0.2
130.62291	0.1
131.04951	0.4
135.04399	0.4
137.02339	7.8
137.03412	0.5
138.02643	0.2
145.02835	0.2
145.06493	0.8
147.04453	0.2
149.02322	1.0
153.01820	10.4
155.04924	1.2
155.05989	0.2
159.04378	0.3
161.05991	0.8
163.03897	1.3
165.01845	3.9
166.02611	0.7
167.03236	0.2
173.05980	1.7
177.01701	0.2
177.05513	0.2
179.03369	0.2
183.02875	1.7
183.04424	0.7
187.03963	0.9
191.03397	0.4
195.02940	0.3
200.04684	0.2
201.05455	4.6
202.05750	0.2
205.04915	0.4
207.02916	0.3
211.03920	0.4
213.05373	0.4
215.03343	0.3
219.02800	0.3
219.06516	0.6
228.04153	0.5
229.04953	9.7
229.79272	0.1
230.05496	0.3
233.04382	0.1
239.03404	0.4
245.04419	0.2
246.05307	0.2
247.06061	1.7
257.04446	5.4
258.04950	0.2
262.63031	0.2
274.04733	1.8
275.05304	0.5
285.03943	2.2
286.04681	0.3
303.04965	100.0
304.05307	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0132
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
51.14831	0.1
53.03860	0.2
55.01783	0.3
55.02011	0.2
55.05422	0.1
56.91970	0.1
63.02286	0.2
65.03840	0.3
65.04132	0.2
67.05399	0.3
67.05717	0.2
68.99659	0.5
69.03316	0.3
69.03648	0.2
69.06961	0.2
71.04896	0.2
71.50741	0.2
77.03857	0.1
79.05393	0.3
81.03291	0.5
81.03723	0.1
81.06918	0.5
85.02806	0.2
89.03798	0.5
91.05339	1.2
91.05943	0.3
93.03304	0.2
93.06912	0.3
95.04830	0.4
95.08466	0.8
97.02807	0.3
99.07980	0.3
103.05309	0.4
105.03284	0.2
105.06911	0.3
107.04836	0.3
107.08496	0.3
109.02724	0.7
111.00665	0.4
111.04348	0.3
113.05875	0.2
113.07041	0.2
115.05390	0.2
117.03230	1.2
117.06908	0.2
119.04793	0.8
119.08478	0.2
121.02856	1.4
121.03635	0.3
121.10032	0.2
123.04282	0.5
123.07948	0.1
123.11578	0.2
127.03788	0.4
129.03226	0.5
129.06914	0.2
131.01196	0.2
131.04787	0.3
133.02791	0.2
133.10025	0.2
135.04311	0.4
137.02348	1.7
137.03304	0.3
137.05838	0.6
139.03754	0.4
141.05353	0.3
141.06908	0.2
141.09007	0.2
144.07983	0.2
145.02855	2.4
145.06348	0.5
147.04396	2.2
149.02226	0.3
149.05936	0.3
149.09491	0.2
151.03951	0.7
153.01819	2.3
153.06976	0.1
155.04811	0.1
157.02856	1.3
157.06471	0.2
159.07881	0.2
161.02229	0.2
161.05991	0.9
163.03885	1.5
165.01889	0.8
165.05565	0.1
165.06935	0.3
166.02475	0.2
169.06372	0.2
173.02341	4.9
173.05989	0.8
175.03900	1.8
176.04514	0.2
177.01683	0.4
177.04085	0.1
177.05455	1.0
179.03268	0.4
181.06418	0.2
183.00703	0.5
183.02777	0.3
183.04262	0.2
183.07973	0.3
185.02306	0.9
185.05844	0.2
187.03763	0.4
187.07472	0.2
189.01759	0.4
189.03735	0.3
189.05460	5.2
191.03391	2.2
196.09987	0.1
197.05980	0.6
200.04608	0.2
201.01817	12.8
201.05409	1.4
202.02188	0.3
203.03384	2.0
205.01288	0.2
205.08730	0.2
207.02809	0.5
211.00255	0.3
211.04025	0.1
211.07439	0.4
213.01912	1.6
213.05443	2.5
213.10072	0.2
215.03275	0.2
215.06865	0.4
217.01350	0.9
219.02914	1.7
219.06248	0.2
222.17844	0.1
225.05406	0.7
228.04097	0.2
229.01326	9.1
229.04758	2.0
230.01643	0.2
231.02853	2.1
233.00742	0.2
235.02272	0.2
239.07008	0.5
241.01321	1.2
241.05090	0.3
243.06638	0.7
243.09990	0.2
247.02367	9.1
248.02820	0.2
255.06587	0.2
257.00793	20.9
257.04211	0.8
257.08218	0.4
258.01172	0.6
258.99887	0.3
259.02399	2.8
261.00113	0.2
267.06421	0.8
273.07593	0.3
274.04742	0.4
275.01849	16.4
276.02191	0.4
285.00290	15.2
285.03772	0.6
285.12296	1.3
286.00903	1.0
303.01416	100.0
303.04987	20.1
303.23154	0.4
304.01727	3.2
304.05380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
57.03428	1.6
61.02916	2.9
63.94644	1.2
65.03931	2.2
65.25078	1.2
67.05502	36.4
69.03427	14.2
69.07054	6.3
70.06585	11.4
71.04993	2.8
71.42276	2.0
71.42612	1.2
73.02908	1.6
79.05455	1.9
79.91164	1.1
81.03408	4.9
83.94698	1.4
85.02901	39.5
88.07613	2.0
94.06564	1.5
95.04965	54.9
97.02887	39.2
98.06062	2.3
99.04434	2.6
103.03304	1.2
103.03963	3.9
104.82663	1.2
109.02856	7.3
110.06041	1.2
112.07599	37.8
113.05990	3.1
113.08012	1.2
122.06026	2.1
123.04420	2.2
124.07541	6.1
127.03905	8.2
130.08667	2.8
136.07567	2.4
139.03894	3.7
140.07059	100.0
141.05492	2.3
141.07388	1.3
145.04959	2.3
152.07033	2.0
153.20709	1.3
154.08607	6.3
162.09187	1.6
164.07092	2.4
178.08643	3.8
182.08122	61.0
183.08328	1.2
187.07564	1.4
194.65009	1.3
201.01801	3.2
206.08125	16.0
208.09673	5.8
218.08235	2.8
220.09734	1.9
229.01346	2.1
236.09131	3.0
239.11798	1.3
247.02414	1.7
248.09129	11.7
257.00824	3.9
267.11331	3.2
275.01746	4.4
285.00235	3.5
285.12244	3.8
302.00595	3.7
302.07611	2.6
302.12152	9.0
303.01346	29.1
303.04877	3.6
303.13681	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	9.5
69.03427	17.7
69.71490	21.6
69.71899	11.9
70.03760	5.1
70.06583	36.4
75.67567	5.5
79.05478	11.9
81.03396	7.5
81.07047	14.4
82.06576	7.5
85.02906	64.4
88.35123	5.6
91.05477	8.3
95.04967	9.6
97.02886	37.5
108.08109	15.3
109.02892	16.6
112.07590	21.1
119.35785	5.9
121.10139	12.7
125.05955	6.8
126.05519	5.8
127.03913	17.0
128.07072	17.5
131.38245	5.2
136.07597	9.7
137.02310	8.5
137.05981	9.3
140.07051	47.5
152.07071	20.1
153.01804	13.1
158.08134	6.3
164.07048	18.8
164.73167	5.9
178.08582	12.2
182.08136	69.3
183.08145	7.2
201.01878	5.6
201.05478	6.2
206.08096	33.3
229.05052	8.8
239.07391	5.8
248.09219	8.8
253.08511	5.5
257.00894	11.2
257.04337	10.2
274.04343	8.3
302.04208	5.4
302.07553	16.8
302.11517	38.2
302.15717	8.2
303.01306	57.6
303.04987	100.0
303.08450	13.5
303.12759	6.7
313.76093	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01862	2.2
55.05490	2.7
57.03435	3.1
61.02923	1.6
63.13181	1.0
63.15855	1.1
65.03963	2.3
67.05502	32.9
69.03429	14.0
69.07066	8.9
69.58137	9.2
70.03772	1.3
70.06590	36.9
71.04982	1.9
72.08157	2.5
73.02903	2.3
81.03412	7.7
81.07069	1.4
83.04959	1.4
84.04493	1.5
85.02901	37.2
85.06512	1.2
91.05503	2.0
95.04963	45.8
95.08587	2.6
96.04504	2.3
96.08121	1.5
97.02888	38.8
97.06567	1.7
98.06044	1.3
99.04453	3.1
103.03946	4.5
109.02882	10.5
111.04428	1.7
112.03947	1.6
112.07595	53.9
112.70837	1.4
113.06006	4.6
113.07153	2.7
117.03348	1.8
122.06049	3.2
123.04453	3.3
124.07566	9.5
127.03917	11.1
136.07570	3.6
139.03914	2.8
140.07060	92.6
141.05424	1.5
145.02898	1.6
145.04958	2.8
145.06366	1.2
145.07619	2.0
146.06023	1.6
147.04424	3.0
151.03873	2.4
153.01942	1.6
154.08638	5.4
157.02762	2.0
158.08154	4.5
164.07037	1.8
173.02357	5.6
173.07059	6.1
175.03958	2.6
178.08670	3.3
182.08125	52.7
190.02655	2.3
191.03403	4.2
201.01814	11.9
206.08208	11.7
208.09692	5.0
211.12335	1.6
218.02122	1.6
218.08131	2.5
220.09721	2.2
223.08553	1.5
229.01369	8.8
236.09105	2.3
238.11064	2.0
239.11841	2.5
241.01515	1.6
246.01624	2.4
247.02414	9.3
248.09134	9.0
257.00803	20.4
257.12930	4.2
259.02631	2.6
267.11276	4.6
275.01868	16.6
285.00333	17.2
285.12280	8.1
293.04868	1.2
302.00500	15.7
302.07281	3.1
302.12460	8.2
303.01361	100.0
303.04831	7.8
303.13248	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	302.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.6
61.09247	0.3
63.48470	0.3
71.49809	0.4
98.97564	2.0
101.00856	0.9
108.18282	0.3
109.56293	0.3
116.98612	2.3
119.01905	5.1
133.03282	0.2
134.27332	0.3
134.98808	0.3
134.99680	2.0
137.02945	2.1
138.22935	0.3
138.88680	0.3
142.03513	0.4
153.00804	0.9
158.99933	0.6
161.02895	0.4
165.99632	0.3
177.00946	12.8
178.01021	2.4
179.00687	2.7
180.00972	0.4
181.00403	0.3
182.99864	0.4
195.02107	0.3
200.02409	0.3
200.04196	0.4
201.00929	0.7
202.00940	0.4
203.00835	0.3
212.95665	0.6
217.04047	2.3
218.03593	1.5
219.01993	22.1
220.02042	6.4
221.01756	11.6
222.01953	1.1
225.00879	2.4
234.03905	0.3
234.99908	0.5
235.03093	0.5
236.99657	0.4
242.03632	1.3
243.01921	7.3
244.01981	0.4
254.96562	0.6
258.05270	0.3
259.00003	0.7
260.00314	0.5
260.02618	1.0
260.05023	3.1
261.03049	100.0
262.03171	7.3
263.02979	0.9
265.02780	0.4
274.02817	0.3
275.04620	0.4
276.06155	0.6
277.01013	0.7
277.04034	0.4
277.98187	0.3
278.01031	0.9
278.03659	1.2
278.97565	0.5
279.00613	2.0
279.03009	0.5
280.01587	0.3
282.99902	0.7
284.00012	1.2
284.04666	7.6
284.99808	0.8
285.04709	0.9
287.05072	0.5
296.97693	0.7
297.06583	0.4
301.01096	1.3
302.01147	1.9
302.05667	12.2
302.10037	0.5
303.00867	1.4
303.05530	1.6
320.04968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2524
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
50.13365	1.1
53.03949	1.8
55.01886	2.9
55.05307	1.2
55.05510	13.2
55.89061	1.3
56.83324	1.6
57.03424	3.5
57.07076	2.7
67.05508	24.9
68.99773	1.8
69.07069	11.3
70.41468	5.2
71.04986	6.5
79.05495	16.8
81.03418	1.7
81.06599	2.5
81.07053	40.2
83.04984	2.5
83.08607	10.4
85.06532	6.1
91.05481	15.6
93.07047	31.8
95.04962	4.0
95.08608	44.7
97.10149	5.3
98.21403	1.7
99.08076	1.5
105.03385	10.1
105.07039	32.0
105.89808	1.3
107.04939	2.9
107.08596	33.9
109.10160	27.6
109.34775	1.4
111.08047	1.6
111.17603	1.3
113.09673	2.5
116.04681	1.6
117.07056	7.3
119.08588	29.7
121.10146	26.9
123.08094	2.4
123.11725	9.8
125.09610	2.1
129.05466	3.0
129.07021	3.2
131.08565	16.2
133.10135	28.7
135.11690	37.4
137.09608	3.1
143.08577	4.9
145.10118	22.0
146.27406	1.5
147.04405	3.4
147.11679	30.6
149.13252	14.3
151.11133	2.5
155.06935	1.7
157.10104	4.9
159.11682	21.0
161.13274	24.2
163.11168	2.3
163.14851	7.4
171.11690	6.9
173.13269	23.1
175.14815	18.0
181.04948	49.8
181.06552	2.5
182.05284	2.1
185.13277	5.6
187.14809	14.0
189.16379	17.6
191.14340	3.5
195.11736	1.6
197.04416	2.7
199.14816	4.4
201.16380	15.0
203.17969	1.8
205.15857	2.4
207.96947	1.7
213.16432	5.7
217.04770	1.9
227.17928	14.6
229.05054	1.8
231.13683	1.9
241.19499	4.0
243.21089	6.2
255.21046	4.7
257.04352	1.5
257.22601	4.1
258.05179	16.0
273.03870	2.0
283.24200	100.0
284.24554	1.9
286.04739	18.1
301.03561	4.6
301.07040	35.4
301.10593	4.9
301.16666	3.1
301.21597	16.1
301.25247	79.0
302.07315	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	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.15725	1.2
53.03959	1.3
55.01863	1.7
55.05507	11.3
57.07085	2.0
59.40453	1.6
63.30436	1.2
66.01870	1.7
67.05503	23.2
69.03426	3.1
69.07060	9.6
69.21384	5.7
69.21812	9.0
71.04980	3.2
79.05500	15.1
81.06599	2.3
81.07053	34.1
83.04981	1.6
83.08594	3.0
87.04435	1.5
88.77582	1.3
91.05473	16.7
93.07050	23.9
95.04962	5.8
95.08604	56.2
97.06528	2.4
97.10162	1.6
103.05486	1.9
105.07024	50.3
107.04968	8.8
107.08588	37.9
109.06521	5.0
109.10153	32.6
111.04440	1.9
111.08075	2.0
113.05963	1.5
115.05475	1.3
117.07020	5.4
119.08580	37.6
121.02861	5.0
121.06532	3.5
121.10128	19.4
123.00843	1.7
123.08035	2.4
123.11684	3.2
124.01614	2.1
125.05977	4.9
125.09606	1.8
128.06207	2.3
129.06973	2.8
130.07803	1.7
131.08565	24.5
132.09340	1.8
133.10112	26.2
135.08093	3.6
135.11691	9.7
137.09624	2.9
142.07741	2.7
143.08569	9.4
144.09355	3.0
145.06517	1.6
145.10126	32.8
145.11171	2.7
146.10869	3.9
147.04375	1.3
147.08119	1.6
147.11684	28.9
149.05994	1.5
149.09651	2.5
149.13258	5.5
151.03957	1.8
151.07484	2.0
153.06985	2.6
155.08549	1.4
156.09364	1.9
157.10085	11.7
159.11688	34.2
160.12456	1.8
161.09654	4.3
161.13229	12.6
163.11188	3.2
163.14899	1.6
165.06978	1.7
165.12675	1.8
167.03357	9.0
169.06401	1.4
171.07996	2.2
171.11685	11.1
173.09639	4.0
173.13275	20.0
175.07581	1.5
175.11191	2.2
175.14871	3.8
177.16426	3.1
179.03488	1.9
181.04927	3.4
181.06499	2.2
185.13277	4.5
187.11253	2.6
187.14799	8.2
189.05487	1.6
189.12862	1.7
191.10654	1.3
191.14330	2.5
193.12300	3.4
199.07664	1.5
199.14888	9.9
201.16365	31.3
202.17194	2.7
203.14403	1.4
207.13930	2.0
209.06067	1.4
212.04697	2.0
213.16408	5.8
215.07080	1.3
217.12387	1.6
219.13788	2.6
223.14725	1.9
225.16454	1.7
227.07018	2.1
227.14456	1.7
227.17941	2.2
231.17540	1.9
241.08560	1.6
241.15820	2.0
241.19627	5.1
245.15456	1.7
255.06630	1.7
255.21077	15.2
257.04517	1.9
258.05215	17.5
265.19485	2.8
270.08929	5.2
272.06754	1.7
283.20547	11.6
286.04730	12.9
301.07111	100.0
301.10681	14.0
301.21597	67.9
302.07419	9.2
302.10825	2.3
302.21997	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
50.50391	0.6
53.03944	0.8
55.01874	0.9
55.05506	7.7
57.03424	0.9
57.07070	1.8
59.04999	0.9
65.03946	2.6
67.05180	1.3
67.05505	14.8
69.03423	2.9
69.07064	12.5
69.24815	1.1
69.25222	6.6
71.04982	1.7
77.03901	0.9
79.05489	9.4
81.06594	1.2
81.07053	17.2
83.04991	2.2
83.08615	1.7
85.06544	1.3
91.05478	100.0
92.05814	2.7
92.88207	0.7
93.07035	22.7
95.04967	4.1
95.08602	21.0
97.06522	1.9
97.10180	2.2
99.04380	0.8
103.05463	2.7
105.04558	0.7
105.07027	31.8
107.04949	2.6
107.08585	20.6
109.06512	3.6
109.10150	23.9
111.04427	2.3
111.08080	1.5
111.11724	1.7
113.09622	1.4
115.05466	2.3
117.07000	4.1
119.04921	1.2
119.07719	1.0
119.08580	20.9
121.02863	13.1
121.06503	4.1
121.10146	26.5
121.38414	0.8
122.10490	0.9
123.04441	1.0
123.08047	2.2
123.11704	6.5
125.09607	1.5
128.06223	3.1
129.07036	3.4
131.04912	1.3
131.08563	12.8
133.10127	19.8
135.04410	1.3
135.08031	2.5
135.11697	13.4
137.05989	1.3
137.09612	4.8
139.07512	0.9
139.11166	3.2
141.06990	1.4
142.07773	2.8
143.08551	6.3
144.09332	1.5
145.06409	0.7
145.10121	14.8
146.10881	2.4
147.08035	5.5
147.11693	13.7
148.50363	0.7
149.02339	2.0
149.09593	3.6
149.13242	1.5
151.11180	1.4
152.06229	2.7
153.07002	5.0
155.08498	1.7
156.09436	1.2
157.06534	1.5
157.10120	11.1
158.10957	1.1
159.08070	1.3
159.11687	14.1
161.09608	9.9
161.13254	4.1
163.11212	7.6
165.06998	3.0
165.09140	8.6
167.08603	2.0
167.10667	1.3
168.05734	1.4
169.06306	1.0
169.10121	2.2
171.08028	2.3
171.11664	6.6
173.09621	2.9
173.13257	13.6
174.13844	0.8
175.03816	0.7
175.11182	4.8
175.14761	3.5
177.09091	1.1
179.10666	2.3
181.04942	5.2
181.06477	11.3
182.07237	1.3
183.11690	1.7
184.12411	0.7
185.09647	0.9
185.13211	5.7
187.11157	1.6
187.14839	4.1
189.09048	0.9
189.12752	2.2
191.10692	2.3
193.12267	1.6
195.11789	1.0
197.04410	1.0
197.06032	1.2
197.09419	1.3
197.13263	1.6
199.03876	1.7
199.07552	3.4
199.11160	2.3
199.14816	7.8
201.12784	1.1
201.16261	3.5
203.10677	1.0
203.14330	1.1
205.12201	2.3
209.05989	7.1
209.13304	1.4
210.06639	1.8
211.07523	0.7
211.14867	0.9
213.05481	3.2
213.09203	0.8
213.12753	1.4
213.16318	4.3
215.14249	1.7
215.18100	0.9
217.12262	1.5
219.13809	1.2
221.06158	0.8
223.14784	2.2
224.08315	1.1
225.05437	1.8
225.16420	1.7
226.06270	1.5
227.07092	10.3
227.10651	23.1
227.14293	2.8
227.17909	1.3
228.11023	1.2
231.13820	1.2
231.17455	1.1
237.05457	5.6
239.06923	1.1
240.07764	1.8
241.04959	2.3
241.08498	1.4
241.15787	0.9
241.19507	5.4
245.15359	2.3
251.25526	0.7
255.06523	23.0
255.10144	58.2
255.21040	7.0
256.06918	2.6
256.10501	4.5
259.20700	1.1
265.04980	2.3
265.19495	3.5
267.06494	8.4
268.07153	1.4
273.22104	2.3
283.06030	6.2
283.09625	22.1
283.20551	11.7
284.09985	1.3
286.04678	1.7
301.03571	1.8
301.07092	21.4
301.10638	2.8
301.21606	49.1
302.07431	2.0
302.21860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40836	3.2
53.03939	4.5
55.01863	7.7
55.05517	16.8
57.03418	11.6
57.07062	4.0
59.04997	4.0
67.05505	35.4
68.99762	2.9
69.03426	29.3
69.07071	44.1
70.68532	9.5
70.69124	2.7
71.04982	9.8
79.05490	27.8
81.03411	11.6
81.07056	55.8
83.04964	10.5
83.08617	8.0
84.93085	2.7
85.02905	17.3
85.06525	6.9
87.04465	10.1
91.05468	36.0
93.07035	48.7
95.04969	16.6
95.08063	4.3
95.08603	48.3
97.02894	23.6
97.06525	17.5
97.10121	6.4
99.08057	4.0
103.05441	6.7
105.04521	3.3
105.07030	57.0
107.04945	13.2
107.08589	41.3
109.02869	12.1
109.06532	18.9
109.10149	64.9
111.04408	9.3
111.08076	13.5
111.11732	3.7
113.06007	3.0
115.03909	10.2
115.05450	9.0
117.07037	16.2
119.04930	8.2
119.08575	56.8
121.02916	4.7
121.06505	12.5
121.10146	42.4
123.04400	15.5
123.08045	9.0
123.11707	24.3
125.05974	7.6
125.09628	4.2
127.03896	4.9
128.06239	6.2
128.55685	2.9
129.07007	8.3
130.07808	3.4
131.04921	7.0
131.08553	29.6
133.04941	7.2
133.06534	5.8
133.10126	35.2
135.04384	5.8
135.08078	16.1
135.11702	21.0
137.02330	7.8
137.05931	8.3
137.09592	7.3
139.03902	12.4
139.07520	8.7
139.11180	6.4
141.06975	3.8
142.07776	5.9
142.54892	2.9
143.08604	15.0
144.09337	3.3
145.06464	6.6
145.10124	41.8
147.08035	16.9
147.11667	23.3
149.06000	7.6
149.09610	10.7
149.13240	5.5
151.03859	10.5
151.07469	6.0
151.11217	18.2
152.06198	6.5
153.06966	12.2
156.09309	7.3
157.06538	5.1
157.08759	4.8
157.10109	17.1
159.08029	8.6
159.11673	31.2
161.08400	4.3
161.09596	20.6
161.13228	10.8
163.03934	9.7
163.07547	6.0
163.11104	14.6
163.14998	2.7
165.06989	9.9
165.09122	3.8
165.12674	5.9
167.03423	6.9
167.07100	3.2
167.10690	5.7
169.06461	7.8
169.10103	7.6
170.10919	3.6
171.08072	6.5
171.11705	20.6
173.05876	2.9
173.09634	8.2
173.13268	23.8
175.07512	4.6
175.11179	13.9
175.14767	3.0
177.05421	8.2
177.09097	5.9
177.12743	3.7
179.10765	3.7
181.04913	11.3
181.06505	16.6
181.10005	3.1
181.12140	3.0
182.07204	7.1
183.08028	5.8
183.11703	6.3
185.09627	4.8
185.13216	13.0
187.07533	5.2
187.11118	5.1
187.14784	10.8
189.12733	8.2
191.03337	10.5
191.10641	5.1
191.14293	6.0
193.12250	7.4
195.07936	8.5
197.05963	5.4
197.13289	9.1
198.06738	17.5
199.07617	5.4
199.11311	3.8
199.14752	9.6
200.04608	3.5
201.12717	11.4
201.16409	14.5
203.14308	6.2
205.04993	6.6
205.12265	4.2
207.13774	4.6
209.05888	4.6
210.06665	3.7
211.07591	5.2
211.14709	5.1
213.05464	7.5
213.09105	8.2
213.12752	5.2
213.16336	8.0
215.07129	5.3
215.14316	9.3
217.04903	3.6
217.12265	4.9
219.13739	12.5
223.07462	4.0
224.08247	3.2
225.16441	4.9
226.06200	12.4
227.07016	9.9
227.14229	5.9
237.14915	4.3
239.07074	7.9
241.08545	16.9
241.15842	4.6
242.09206	4.4
243.06671	4.0
245.15501	4.8
247.13359	5.5
251.06979	3.4
254.09340	5.5
255.10297	5.9
255.15802	6.8
255.21013	10.0
258.05173	24.8
259.05701	3.1
265.14352	8.2
265.19489	6.9
268.53900	3.3
269.08020	7.8
273.07773	3.7
274.04681	8.7
283.09711	14.8
283.15378	13.5
283.20435	20.0
286.04755	25.2
286.07925	4.7
301.03467	11.5
301.07013	100.0
301.10666	65.1
301.14276	11.6
301.17923	8.6
301.21564	86.5
301.25067	6.6
302.04160	11.9
302.07452	7.6
302.11002	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88699	0.9
53.03936	2.3
55.01871	36.0
55.05236	1.7
55.05508	35.9
57.03434	57.2
57.07074	1.7
59.04990	1.3
60.02129	1.5
61.02918	3.3
67.05503	31.7
69.03420	7.3
69.07065	13.8
70.04211	2.5
71.04999	2.5
73.02913	16.5
79.05490	27.7
81.03405	8.3
81.06593	1.8
81.07053	26.2
81.94627	0.9
82.04202	8.9
83.04980	22.8
83.08616	13.5
84.05778	1.1
85.02899	1.5
85.06546	1.5
87.04487	1.5
91.05472	19.4
93.07040	21.8
95.04964	13.2
95.08604	16.2
96.05739	1.4
97.02866	2.3
97.06526	9.3
97.09554	1.6
97.10168	23.1
97.63748	1.0
98.07307	12.4
98.20642	1.8
99.04490	1.0
101.06007	2.8
104.06216	0.9
105.03407	1.8
105.07017	11.8
107.04939	3.6
107.08588	16.9
109.06512	3.0
109.10149	8.9
111.04402	2.0
111.08092	5.6
113.05994	1.3
113.08693	1.0
116.04707	43.4
117.07014	4.9
119.08575	11.5
121.06451	3.2
121.10120	5.8
121.47917	0.9
123.08073	5.4
123.11666	2.0
125.05961	1.6
125.09627	24.7
126.10398	2.7
127.07575	1.1
129.05473	100.0
129.07019	4.6
131.08566	8.2
133.06458	1.2
133.10139	11.4
135.08022	4.2
135.11690	5.0
136.08859	1.7
137.09647	2.6
140.78857	0.9
142.07816	1.3
143.07034	23.3
143.08592	1.7
143.10542	1.5
145.10138	4.5
147.07976	1.5
147.11664	9.5
149.09607	2.5
149.13248	1.2
151.11168	1.3
153.09113	2.0
157.08606	46.0
157.10089	5.9
159.11671	3.3
163.11159	2.8
165.12750	1.3
166.09848	1.2
171.10170	15.4
171.11620	1.1
173.09612	1.4
173.13243	1.0
175.11099	4.8
175.14769	1.2
179.10648	1.4
181.04965	4.5
181.12183	1.9
185.11720	4.5
185.13234	2.2
189.11200	27.9
192.11440	1.1
193.12303	4.2
197.04439	2.1
199.13306	8.1
199.14801	1.6
200.14050	13.8
209.11667	1.8
210.12607	1.7
227.12750	12.9
229.68922	1.2
231.13805	1.7
241.19487	1.3
255.15750	1.2
255.21114	6.4
258.05197	6.1
286.04715	8.5
301.03687	1.2
301.07074	19.8
301.10687	2.1
301.16452	45.8
301.21484	13.4
302.16916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1432
Annotation	Myrigalone A
Peak:m/z	Relative Intensity
53.79367	1.0
54.01592	0.9
65.03927	2.5
68.21254	1.0
70.26377	3.6
79.05467	2.6
81.07053	2.0
88.95268	1.0
91.05476	77.3
92.05827	1.4
93.07024	1.3
95.04983	0.9
95.08595	1.2
103.05459	4.2
105.03368	1.2
105.07027	77.2
106.07372	1.8
109.06496	6.2
115.05448	58.7
116.05794	1.2
117.07016	26.3
119.08535	1.4
121.06498	5.5
123.08075	2.4
128.06223	2.0
129.07002	11.9
131.08481	1.5
133.06461	4.0
135.08034	1.0
135.11711	1.1
136.05170	4.5
137.05972	4.9
139.07556	4.8
140.04680	1.1
143.78508	0.9
147.04298	1.6
151.07538	3.5
153.05469	2.3
155.07001	5.5
157.41057	0.9
165.07007	2.4
165.09097	1.5
165.65491	1.1
165.85425	1.1
167.07040	32.5
167.08475	1.1
168.07808	3.6
169.08525	5.2
177.05551	1.4
178.07822	1.6
179.07007	1.4
179.08528	1.9
181.04961	4.1
181.08598	22.7
189.00690	0.9
191.06995	6.3
191.08479	1.7
191.88617	1.1
192.07800	2.1
193.06540	1.8
193.08551	2.6
193.10083	1.1
194.07181	1.3
194.70284	1.1
195.06532	2.5
197.08055	5.4
205.06453	1.4
207.07985	1.2
208.08852	3.8
209.09622	4.6
211.07491	0.9
221.06068	1.2
221.09674	1.7
223.11246	1.4
225.09108	2.0
236.08289	2.5
237.09100	16.1
238.09703	1.7
251.10660	7.9
252.11397	18.2
253.08644	6.7
253.11296	1.1
267.10107	7.1
268.10922	14.7
283.13275	100.0
284.13699	3.8
286.07477	1.8
301.06955	3.5
301.10193	3.3
301.14325	88.2
301.25079	1.7
302.14719	3.0
302.30423	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	301.1069
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03939	0.5
55.61115	0.2
62.59525	0.2
65.03941	0.8
69.03435	0.3
69.07043	0.2
70.05897	1.2
75.02969	0.2
79.05495	0.3
80.02639	0.5
80.74098	0.2
81.03400	0.3
81.07074	0.4
81.31777	0.2
82.13195	0.3
83.55680	0.2
88.85596	0.2
91.05482	2.5
93.03387	0.7
93.07068	0.4
93.95450	0.3
94.49361	0.2
95.01335	0.3
95.04960	2.3
95.08606	0.5
97.06496	0.4
105.07032	0.9
107.04939	0.9
107.08566	0.5
111.04427	1.1
117.07043	0.3
119.04942	5.7
119.08591	0.4
121.02863	0.7
121.10180	0.3
123.04430	0.9
125.06003	1.8
131.08597	0.3
133.10149	0.5
138.03113	3.8
145.10138	0.6
147.04404	12.7
151.03851	1.4
153.05452	0.7
159.11690	0.6
161.09557	0.3
166.02603	4.4
166.03894	0.4
173.13312	0.3
181.04947	100.0
182.05313	1.6
184.03677	3.2
201.16400	0.4
216.36826	0.3
258.05209	2.5
286.04672	3.2
301.07050	6.1
301.10635	44.0
301.21667	1.0
302.07596	0.5
302.11020	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01873	0.6
55.05508	2.8
57.03426	1.0
57.07069	0.5
65.03941	2.1
67.05213	0.6
67.05503	4.8
67.13356	0.5
69.03439	1.2
69.07057	2.6
71.04996	4.3
71.51262	0.6
79.05482	5.2
80.57642	0.5
81.07059	5.4
81.73740	0.6
83.04998	1.4
83.08616	1.3
83.23847	0.6
85.02883	0.6
85.06514	0.6
91.05479	100.0
92.05821	1.2
93.07041	7.9
95.04964	1.7
95.08603	7.0
97.06512	0.9
97.10163	1.5
103.05466	1.5
105.03404	0.8
105.07026	10.4
107.04945	1.0
107.08584	7.1
109.06522	1.2
109.10168	4.0
111.04449	1.5
111.08115	0.9
115.05447	0.7
115.39374	0.5
115.72055	0.5
117.07038	2.5
119.04830	0.6
119.08580	5.9
121.02856	1.1
121.06501	1.7
121.10163	3.8
123.08052	1.1
123.11693	1.1
125.06030	0.7
125.09615	1.4
129.05463	0.6
129.07024	1.7
130.07759	0.7
131.04855	0.7
131.08578	4.0
133.06468	0.6
133.10121	9.3
135.08072	1.3
135.11684	3.0
137.05988	1.0
137.09641	1.1
139.03943	0.8
141.06995	1.0
143.08554	1.9
144.09270	0.6
145.10101	5.5
147.08107	0.7
147.11652	3.9
149.02328	0.5
149.09618	1.1
149.13205	1.1
151.03989	0.6
151.11237	0.9
152.06236	0.7
153.07018	1.1
153.12802	0.6
155.08571	0.6
156.09248	0.6
157.10130	2.7
159.08049	0.6
159.11684	5.2
161.09624	2.6
161.13293	1.5
163.11189	4.4
165.07022	1.1
166.02522	0.6
167.08604	1.9
169.10165	1.0
171.08101	0.5
171.11711	2.1
173.09656	0.7
173.13235	3.1
175.11102	1.1
181.04956	10.5
181.06461	1.2
185.09639	0.8
185.13293	0.9
187.14819	1.4
189.12654	0.6
191.14343	2.9
195.08095	1.0
197.05942	0.9
197.09543	0.6
197.13306	1.8
199.07466	0.7
199.11224	1.2
199.14864	1.4
201.16386	2.6
203.14400	0.7
205.02396	0.7
209.06003	1.4
213.16336	1.5
215.14365	1.3
217.15916	1.6
223.07626	0.6
223.14862	0.6
224.08286	1.5
225.05431	5.7
226.06268	0.6
227.07185	1.0
227.10660	24.5
228.10951	1.2
239.07025	1.1
240.07788	9.4
241.08563	2.9
241.19518	0.7
243.17529	1.0
245.15462	1.0
251.07048	2.6
254.09470	1.2
255.10152	45.7
255.21114	1.7
256.10599	1.4
258.05316	1.5
269.08264	1.2
283.09631	16.6
283.20627	2.2
283.23776	0.7
286.04742	2.6
301.03445	1.7
301.07062	6.4
301.10800	12.6
301.21576	14.1
301.25061	0.8
302.11221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	6-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
52.03143	0.2
53.03939	0.6
54.51010	0.2
55.01860	0.5
55.05510	1.1
57.03422	0.5
62.15963	0.2
65.03922	0.6
67.05511	1.8
68.99785	0.4
69.03416	0.7
69.07044	1.0
70.05513	0.9
70.05888	0.4
71.04996	0.4
79.05483	1.1
80.02633	0.4
81.03391	0.5
81.07050	2.4
83.04971	0.7
83.08598	0.4
85.06502	0.3
91.05478	2.5
93.03407	0.5
93.07040	2.1
95.01325	0.4
95.04969	2.3
95.08607	2.4
97.02879	0.3
97.06520	0.6
97.10143	0.3
102.13536	0.2
103.05465	1.1
105.03368	0.3
105.07030	2.1
107.04950	0.6
107.08568	1.9
108.02068	0.7
109.02867	0.5
109.06536	0.4
109.10154	1.7
109.51963	0.2
111.04449	1.1
111.08076	0.4
117.07031	0.5
119.08582	1.7
121.02879	0.6
121.06415	0.5
121.10154	1.6
123.04391	0.7
123.08067	0.2
123.11714	0.4
123.32323	0.2
125.05977	0.9
125.09563	0.4
129.05402	0.5
129.06926	0.3
131.04927	0.5
131.08560	1.0
133.10107	1.8
135.04408	0.3
135.08031	0.2
135.11678	0.8
136.01563	1.6
137.02350	0.5
137.09612	0.3
138.03082	2.4
139.00214	0.4
139.03848	0.3
139.07539	0.2
139.11171	0.3
141.05446	0.4
143.08546	0.6
145.10146	1.4
147.04396	0.9
147.08058	0.4
147.11671	0.9
149.09644	0.3
149.13245	0.5
151.03882	1.0
153.01863	0.4
153.05472	0.7
153.06897	0.2
154.02605	3.0
155.07048	0.3
155.08424	0.3
157.10126	1.1
159.08109	0.3
159.11723	1.2
161.09663	0.4
161.13266	0.5
163.11159	0.4
164.01036	0.7
166.02603	2.4
167.03343	0.3
167.08485	0.2
169.10095	0.3
171.11694	0.6
173.09630	0.5
173.13216	1.0
175.11169	0.3
175.14734	0.3
178.99321	0.2
181.04944	100.0
182.02095	4.3
182.05299	1.4
184.03677	3.2
184.05266	0.4
185.13213	0.4
187.14830	0.4
189.16241	0.2
191.03432	0.3
191.10526	0.3
197.04443	19.4
197.13242	0.3
198.04774	0.2
198.06754	0.2
199.14871	0.5
200.03133	3.9
201.16377	0.6
205.12131	0.3
213.05406	0.3
213.16447	0.3
215.14259	0.4
218.46896	0.2
231.13626	0.3
241.08548	0.4
241.19371	0.2
243.14084	0.2
245.95567	0.3
247.40645	0.2
255.06590	0.3
255.10133	0.5
255.21075	0.9
258.05270	1.8
259.05676	0.3
259.09708	0.7
267.06445	0.8
267.41882	0.2
283.09604	2.7
283.20563	1.1
283.23956	0.5
286.04675	1.6
286.07977	0.4
301.03534	0.7
301.07056	7.8
301.10693	22.4
301.21594	5.1
301.25089	0.5
302.11041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.02367	0.3
53.03942	1.2
55.01851	0.2
55.05500	0.8
65.03933	0.7
67.05489	0.8
68.99784	2.8
69.03400	0.4
79.05477	0.6
80.02626	0.3
81.03423	0.3
81.07054	0.5
83.05003	0.2
91.05484	0.5
93.03390	0.4
93.07020	0.4
94.04188	0.2
95.04380	0.4
95.04959	3.5
95.08585	0.6
97.06512	0.3
104.47591	0.2
105.03386	24.6
105.07016	0.4
107.08509	0.3
111.04415	0.7
117.07018	0.3
119.08585	0.2
121.02853	0.2
122.03653	0.2
123.04436	0.4
125.06001	1.0
133.10028	0.3
133.74983	0.2
138.03117	2.8
141.05528	0.3
145.10085	0.3
147.04405	3.6
151.03877	0.8
153.05472	0.6
155.07018	4.4
166.02625	3.1
181.04944	100.0
182.05281	1.7
184.03667	2.5
258.05203	0.5
286.04642	0.6
293.11499	0.2
301.06976	1.1
301.10480	0.4
301.16425	0.4
301.21613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78928	0.4
55.01889	0.5
55.05507	1.4
59.91344	0.4
65.03934	1.4
67.05499	1.8
69.07063	1.2
69.58788	0.4
70.71726	1.1
71.04995	0.8
72.94801	0.4
79.05488	1.4
81.07048	2.9
91.05476	100.0
92.05795	1.1
93.07035	3.1
94.37469	0.4
95.04953	0.9
95.08595	3.9
103.05460	1.8
105.07020	4.1
107.08601	2.9
109.06500	0.5
109.10164	3.3
109.83392	0.4
111.04434	0.7
117.06998	0.8
119.08565	2.8
121.02880	1.1
121.06527	0.6
121.10141	3.2
123.08115	0.4
123.11741	0.6
129.06961	0.5
131.08560	1.8
133.10150	2.5
135.08023	0.5
135.11684	1.6
137.09599	0.6
137.90807	0.4
141.07018	0.6
143.08566	1.2
145.06454	0.5
145.10091	1.9
147.11688	1.8
149.02284	0.6
149.13159	0.4
149.95596	0.4
152.06284	0.5
153.06989	0.8
155.07094	0.5
155.08549	0.5
157.10149	1.7
159.08057	0.5
159.11707	2.3
161.09621	1.2
161.13208	0.8
163.11134	1.4
165.07016	1.2
165.09099	0.8
167.08556	1.4
168.05724	0.4
171.07935	0.4
171.11716	1.1
173.09624	0.8
173.13255	1.6
175.11111	0.9
179.10583	0.5
181.04964	4.4
181.06520	1.5
185.13277	0.6
187.14774	0.7
195.08098	1.0
197.06013	0.5
197.09671	0.7
199.11188	1.2
199.14822	0.8
201.16214	0.7
209.05960	1.8
212.08295	0.6
213.05373	0.4
217.12126	0.6
224.08258	2.1
225.05470	2.5
227.07355	1.9
227.10649	22.2
228.10956	0.5
237.05450	0.7
239.07042	1.2
240.07816	2.4
241.19440	0.8
255.06665	2.2
255.10149	60.2
255.21048	1.3
256.10559	1.5
258.05127	0.6
265.19537	0.5
267.06531	10.5
268.07211	1.7
273.22095	0.5
283.06161	1.5
283.09604	22.1
283.20572	1.6
286.04831	0.6
301.06992	3.4
301.10663	1.4
301.21573	7.1
301.24893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.05517	0.4
65.03921	0.9
67.05497	0.8
68.99802	0.3
69.03426	0.4
69.48895	1.8
80.02630	0.4
81.03421	0.3
81.07041	0.3
91.05477	2.5
93.03394	1.0
93.07036	0.6
95.04956	2.3
95.08610	0.5
105.03389	0.6
105.07024	0.4
107.04948	0.9
107.08585	0.5
108.02052	0.3
109.10188	0.3
109.60403	0.3
109.62296	0.2
111.04439	0.9
119.04941	4.6
119.08548	0.2
121.02899	0.5
121.10132	0.3
121.62946	0.2
123.04424	1.1
125.05972	1.4
127.02191	0.3
129.05450	0.3
137.02315	0.4
138.03128	4.2
147.04408	12.0
151.03900	0.9
153.05479	0.7
159.11703	0.6
166.02626	3.7
171.59142	0.2
181.04947	100.0
182.05313	1.0
184.03651	2.8
199.05989	0.3
203.56380	0.2
241.54796	0.2
258.05029	0.6
259.09677	0.4
286.04712	1.0
301.07275	1.8
301.10669	31.8
301.21613	0.7
302.11066	0.8
313.20889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	Onysilin
Peak:m/z	Relative Intensity
52.45881	0.5
53.03934	1.3
55.01874	0.6
67.05495	0.7
68.99774	2.3
69.49546	3.7
79.05455	0.5
81.07025	0.9
91.05473	0.8
95.04967	2.5
98.20831	1.2
103.05448	3.0
105.03391	20.8
107.04893	0.5
107.08587	0.5
108.02070	1.6
111.04454	0.7
121.02905	0.8
125.02343	0.5
131.04927	2.8
136.01569	5.6
137.02274	0.8
138.03094	2.5
139.00224	0.8
147.04410	2.8
151.03889	0.7
153.01854	0.6
154.02608	6.8
155.07004	4.2
162.10533	0.5
164.00974	1.9
166.02640	3.0
181.04945	100.0
182.02087	11.9
182.05295	1.4
184.03650	2.1
197.04446	47.0
198.04768	0.8
200.03152	7.3
214.05203	0.6
216.65825	0.5
274.29675	0.5
286.04794	0.6
301.07388	1.3
301.10678	26.1
301.21771	0.6
302.11035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0899
Annotation	59-43-8
Peak:m/z	Relative Intensity
53.03947	1.4
55.01855	1.9
55.05507	3.3
56.96566	8.8
57.03425	2.6
61.02913	2.0
65.03949	1.1
67.05505	2.9
68.05022	1.1
69.03431	7.4
69.07060	2.8
70.02940	1.2
70.06583	2.7
70.93049	2.5
71.04971	1.6
73.02925	2.6
73.06531	0.8
79.05492	1.3
81.03418	4.7
81.07043	2.5
83.04983	3.5
84.08145	1.8
85.02901	13.6
86.09706	3.5
87.04479	1.2
91.05463	1.8
93.03424	1.0
93.07037	3.2
95.04981	1.2
95.08609	5.9
97.02907	6.1
97.03974	1.7
97.06527	1.4
98.97566	9.4
101.00861	0.9
101.02403	1.1
105.07043	1.8
107.08628	2.0
107.90444	1.0
108.22994	0.8
109.02885	2.1
109.10178	1.4
109.60864	0.8
110.02429	1.0
111.04453	1.9
112.11235	1.3
116.98616	6.1
119.01917	2.8
119.08581	1.8
121.02824	1.2
121.10146	1.1
122.06035	0.9
123.11714	1.4
124.07665	1.2
125.02477	1.0
125.03468	1.7
127.03928	3.5
128.58690	0.9
128.98674	1.2
131.01985	1.1
133.01753	1.3
133.03462	1.2
133.10162	1.8
134.99687	2.8
135.04434	1.4
135.11665	1.3
137.05995	1.6
139.03912	4.3
139.05028	1.5
140.03404	1.9
140.07115	1.7
142.06129	1.1
145.03476	2.8
145.04999	1.9
146.99698	2.3
147.03256	1.2
147.04376	1.2
152.07024	1.4
153.01854	7.4
155.01979	1.1
155.04678	2.6
157.04994	1.0
158.99687	2.9
159.11659	1.1
161.01196	1.6
161.02969	1.4
161.04591	1.4
164.05246	1.1
168.05382	1.1
170.05299	3.4
170.55504	1.3
173.03061	1.5
173.13301	1.3
177.00754	2.5
177.04352	1.5
177.05882	1.9
181.05032	1.8
187.04553	1.3
198.98607	0.9
201.00771	1.4
203.04007	1.6
206.53546	1.0
211.10698	1.0
219.01813	2.1
219.57066	1.3
220.07912	1.8
221.05064	5.4
227.06865	1.5
237.02888	2.8
238.11905	2.5
258.05301	3.3
261.03055	1.1
271.06668	5.5
273.00394	1.0
275.01947	1.1
277.03983	1.1
286.04770	3.9
297.06769	1.5
301.09030	100.0
301.21664	5.2
302.00574	1.6
302.09277	2.0
309.08661	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	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.19484	0.2
53.27769	0.2
54.26973	0.2
55.01857	0.3
55.05492	0.3
59.54676	0.2
65.03934	0.4
66.01083	0.6
67.05489	0.6
67.81306	0.3
68.99796	0.5
69.07060	0.6
69.33057	1.9
78.01060	0.7
79.05477	0.8
81.07056	1.1
91.05470	1.1
93.07035	0.6
94.04198	1.6
95.04983	0.4
95.08611	1.4
105.07015	1.2
107.04958	1.3
107.08596	0.9
109.10143	0.9
117.06986	0.3
119.08563	0.9
121.02856	7.0
121.03897	0.3
121.06537	0.3
121.10121	0.5
131.08565	0.3
133.10066	0.5
135.04434	0.2
135.08113	0.4
135.11664	0.5
136.01517	0.2
137.02328	0.9
140.81245	0.2
143.08485	0.3
145.10112	0.8
147.11652	0.7
151.03889	0.4
153.01822	0.6
153.06940	0.4
157.06384	0.3
157.10078	0.3
159.11690	0.4
161.13228	0.3
167.03383	0.9
167.08508	0.2
169.06479	0.2
171.11737	0.4
173.13306	0.6
175.11180	0.3
179.03384	0.4
181.04933	0.4
181.06491	0.8
184.05203	2.7
185.13232	0.3
188.04655	1.6
189.05458	0.3
193.01308	0.5
195.08125	0.3
201.16374	0.3
209.06046	0.4
210.01559	0.6
212.04643	2.3
213.05429	3.1
215.03261	0.3
216.04155	0.3
226.06067	0.3
227.07066	0.7
229.04945	3.8
230.05661	0.3
240.04178	1.2
241.04922	1.2
241.19365	0.2
255.06543	1.3
257.04486	2.6
258.05228	14.0
259.05685	0.5
269.04501	1.1
269.07623	0.2
270.09048	0.5
272.03250	0.4
272.06595	0.3
283.05856	0.3
283.20621	0.6
285.03922	33.0
286.04694	74.5
287.05020	3.1
301.07050	100.0
301.21588	2.0
302.07373	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
60.61229	0.2
69.45733	1.6
69.46153	0.7
74.29323	0.2
77.27035	0.2
95.08596	0.3
98.20794	0.5
103.03828	0.3
108.44907	0.2
124.01613	1.1
133.27477	0.2
134.03610	1.9
137.02385	0.8
139.81168	0.3
152.01106	0.9
153.01833	2.8
161.02345	0.4
167.03394	0.6
168.52187	0.2
170.00841	0.3
170.02173	1.2
175.49300	0.3
201.05493	0.4
202.06398	0.4
213.05479	0.5
229.04996	1.3
230.05673	0.4
240.10310	0.3
245.04308	0.3
257.04440	0.5
258.05243	10.6
259.05441	0.3
269.04529	1.4
285.03909	5.8
286.04709	41.4
287.05087	1.2
301.07053	100.0
302.07388	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	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.79588	0.2
54.37114	0.2
55.01858	0.4
66.01100	0.4
66.70898	0.2
67.05492	0.3
68.99798	0.5
69.07047	0.2
70.84687	0.6
78.01067	0.2
79.05501	0.4
81.03410	0.3
81.07030	0.3
83.04929	0.2
91.05453	0.3
93.07010	0.3
94.04184	0.8
95.04954	0.4
95.08619	0.4
107.04953	0.6
109.02858	0.3
119.08646	0.2
121.02852	3.6
121.10159	0.4
134.03622	0.3
135.04390	0.8
136.01578	0.3
137.02321	2.0
137.05948	0.2
139.07492	0.2
141.01889	0.2
148.03966	0.2
149.06033	0.3
153.01749	0.3
159.11688	0.2
163.03938	1.6
165.01830	0.3
165.05478	0.8
167.03445	0.2
172.05072	0.2
176.02661	0.2
177.97569	0.2
183.02914	0.2
184.05130	1.7
188.04643	1.1
191.03375	5.1
192.03761	0.2
193.01317	0.6
210.01625	0.3
212.04655	1.2
213.05443	2.6
217.04938	0.3
229.04904	2.8
230.05672	0.2
237.31609	0.2
240.04160	0.7
241.04878	1.1
257.04395	1.6
258.05231	9.6
259.05945	1.3
269.04382	0.6
285.03912	23.3
286.04684	44.7
287.05115	1.5
301.07037	100.0
302.03925	0.3
302.07330	4.4
302.10580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	6-Methylluteolin
Peak:m/z	Relative Intensity
53.03945	1.0
55.01867	3.7
55.05508	4.8
55.67721	0.7
57.03404	1.1
57.07058	5.4
59.04969	0.8
65.03933	3.8
67.05499	7.5
68.73055	0.9
69.03428	3.6
69.07073	5.1
69.45265	1.6
69.45657	5.2
71.04991	4.9
79.05504	6.5
81.03412	0.9
81.07058	11.2
83.04980	3.4
83.08602	2.5
85.06520	0.8
91.05473	10.7
93.03401	1.5
93.07031	11.2
95.04947	2.5
95.08607	12.1
97.06528	3.2
97.10152	1.9
99.08068	1.4
99.11738	1.1
105.03400	1.5
105.04487	1.0
105.07026	14.9
107.04960	6.3
107.08589	11.5
109.02910	0.9
109.06499	2.4
109.10153	9.3
111.04427	2.2
111.08064	1.2
115.05436	2.3
117.07005	2.7
119.04982	0.9
119.08572	12.6
120.95423	0.7
121.02859	52.8
121.06493	2.4
121.10155	9.8
123.08033	1.8
123.11677	2.7
125.09628	3.6
128.06238	6.2
129.05519	1.3
129.06975	3.4
131.04909	1.8
131.08569	6.4
133.02861	1.1
133.06464	1.5
133.10126	11.7
135.04428	2.6
135.08032	2.5
135.11667	6.4
137.06003	0.9
137.09589	2.1
139.03874	0.8
139.05402	0.8
139.07529	1.1
139.11179	1.1
141.06963	2.3
141.12743	0.9
143.08563	7.3
145.06461	2.0
145.10133	10.4
147.04332	1.2
147.08052	2.5
147.11690	6.1
149.02341	7.5
149.05968	0.7
149.09663	1.6
149.13266	1.9
151.03835	1.2
151.11218	1.4
152.06178	7.7
153.06982	19.2
153.08992	0.8
154.07578	1.3
155.08586	3.7
157.06491	4.9
157.08853	1.0
157.10130	5.8
159.04483	0.9
159.08051	2.5
159.11684	8.3
161.05930	0.8
161.09631	5.3
161.13263	3.4
163.07559	1.0
163.11192	3.6
165.06956	6.8
165.09079	1.7
166.07388	0.8
167.08502	0.9
168.05725	2.9
169.06425	2.0
169.10066	1.4
171.04431	2.7
171.08037	9.8
171.11673	4.7
173.09608	3.8
173.13214	5.3
175.03917	2.5
175.11157	5.3
175.14780	2.2
177.12845	1.3
180.05682	0.9
181.04970	2.4
181.06461	36.9
182.07057	2.5
183.08087	2.1
183.11711	1.3
184.05209	2.8
185.06013	4.8
185.09572	1.1
185.13274	3.1
187.11154	1.6
187.14833	4.4
189.05495	0.9
189.12747	1.9
189.16261	0.9
191.03377	2.7
193.06398	1.0
195.04448	0.8
195.11610	0.9
197.05980	2.4
197.13293	4.4
199.03850	4.4
199.07516	10.5
199.11249	1.0
199.14848	3.1
201.05420	1.1
201.12894	0.9
201.16380	1.9
203.03407	2.4
203.14354	2.3
203.17949	1.1
205.12187	1.7
209.05951	21.5
209.13220	0.8
210.06693	4.6
211.07484	2.3
212.04663	1.7
212.15514	1.2
213.05443	14.2
213.12761	3.1
213.16383	3.4
215.14331	7.9
215.17653	0.7
217.04936	1.2
219.13860	0.9
223.14835	1.0
225.16486	0.8
226.06239	2.0
227.03413	2.2
227.07018	43.0
227.14270	2.0
228.07504	2.1
229.04950	2.3
231.13867	0.9
231.17412	3.5
237.05458	20.4
238.06108	1.6
239.07050	3.6
239.18079	0.9
241.04951	8.6
241.08582	1.7
241.15823	1.5
241.19492	2.5
245.04471	2.2
245.15430	1.5
255.06512	100.0
255.21112	5.4
256.06924	4.8
258.05261	2.8
259.06024	2.3
265.04980	9.1
265.19406	1.5
266.05707	0.9
269.07947	0.9
273.07617	0.8
273.22052	1.7
283.06018	23.8
283.20605	11.2
283.23999	2.3
286.04691	4.0
301.03705	3.6
301.07077	73.8
301.10608	6.6
301.18170	1.4
301.21600	32.7
301.25070	2.7
302.07413	3.5
303.88251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.36809	0.3
51.61968	0.3
54.77455	0.3
55.01879	0.5
55.05515	0.7
66.04724	0.4
67.05504	1.3
68.99812	1.1
69.03425	0.7
69.07076	1.1
70.06586	0.6
70.63756	1.1
71.05011	0.3
79.05495	1.4
80.19466	0.3
81.07046	1.7
83.05000	0.3
90.04681	0.4
91.05471	2.9
93.07030	1.9
95.04968	1.0
95.08591	2.0
97.06549	0.6
102.04732	0.4
105.03364	1.8
105.07024	1.8
107.08577	1.5
108.37027	0.3
109.06533	0.6
109.10173	1.2
112.07642	0.5
115.05436	2.0
117.06985	0.6
118.04153	2.6
119.05000	0.4
119.08581	2.3
121.02906	1.2
121.06521	0.9
121.10152	1.2
121.27012	0.3
123.11715	0.5
124.01556	0.7
127.00262	0.3
128.06242	1.1
129.03415	0.4
131.04951	0.4
131.08548	1.0
133.10136	1.1
135.04460	0.4
135.11687	0.7
137.02344	0.8
137.05994	0.8
139.00308	0.8
139.03886	0.9
139.07570	0.8
140.01035	1.0
143.04974	0.4
143.08539	0.5
145.02885	0.3
145.06586	0.3
145.10146	1.2
147.11708	0.8
149.05920	0.4
149.09601	0.3
149.13287	0.6
151.03891	0.4
153.01880	0.7
153.07042	0.4
156.05692	0.4
157.10158	0.7
159.11725	1.0
161.06001	0.5
161.09608	0.8
161.13303	0.7
163.03874	0.7
163.11157	0.4
165.06917	0.4
168.00533	0.9
169.10172	0.3
171.04424	0.7
171.11652	0.5
175.11130	0.5
175.14806	0.4
177.05437	0.7
181.06436	0.5
184.05173	2.2
185.00821	0.4
185.13309	0.5
186.01622	0.8
187.03925	0.8
187.14838	0.8
188.04750	0.9
189.05493	0.7
191.03410	0.9
198.06792	0.4
199.14798	0.4
201.05482	0.4
201.16454	0.5
203.18129	0.4
211.03935	0.5
212.04677	4.3
213.05338	0.7
213.09074	0.4
215.03409	1.0
215.14337	0.3
216.04259	0.3
226.06270	0.7
227.14264	0.4
229.04893	2.1
239.03456	1.2
240.04141	0.6
240.07533	0.4
241.04848	0.6
241.08623	0.6
255.02841	1.1
255.20947	0.3
257.04419	5.7
258.05249	4.3
259.05862	0.4
267.02811	0.6
269.03992	0.3
283.20584	0.6
283.24167	1.1
285.03915	14.4
286.04709	91.1
287.05038	2.9
301.07053	100.0
301.21591	3.5
301.25223	0.9
302.07404	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	299.2368
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
55.05509	8.0
57.07068	1.4
63.59642	1.0
67.05495	10.7
69.03425	1.2
69.07069	5.3
69.30686	7.9
69.32036	1.1
79.05498	10.6
81.07059	22.7
83.04991	7.2
83.08615	4.1
91.05485	7.7
93.07042	18.3
93.07581	2.0
95.04958	2.8
95.08607	21.5
97.06530	34.2
97.10166	3.9
105.07030	16.2
107.04940	2.7
107.08586	15.0
109.06515	24.1
109.10156	13.2
117.07011	3.1
119.08572	14.7
121.06468	6.5
121.10129	12.1
123.08069	12.9
123.11729	5.9
128.06183	1.1
129.07034	4.8
130.56958	1.0
131.08577	9.9
133.10132	13.4
135.08069	2.2
135.11662	7.4
137.09589	2.3
139.24086	1.0
142.07744	1.6
143.08545	5.4
145.10123	8.6
147.08011	2.1
147.11713	10.3
149.09627	13.4
149.13246	12.0
155.03606	1.3
155.08528	2.1
156.09286	1.2
157.10118	7.5
159.11688	13.2
161.09625	4.0
161.13205	5.3
163.11154	3.9
163.14845	2.3
169.10103	2.1
169.43260	1.0
171.11731	6.1
173.13278	16.7
175.11137	3.3
175.14809	10.1
177.12766	7.8
177.16382	1.8
183.11667	4.1
185.13239	8.7
187.14812	4.7
189.12782	2.9
189.16399	2.8
191.14398	1.4
191.17958	1.3
195.02849	1.2
197.13257	3.7
199.14877	5.9
199.16426	1.0
201.16386	2.4
203.14340	2.8
203.18028	2.0
206.37395	1.0
211.14804	6.4
213.16280	2.2
215.14287	2.4
215.17941	2.8
217.15816	1.7
217.19537	1.3
225.16380	4.0
229.15884	2.5
229.19569	1.6
239.17981	2.0
241.19490	4.4
252.18631	1.1
253.19490	3.2
257.22687	1.6
271.24237	1.5
276.65860	1.0
281.22638	41.1
283.06036	5.6
291.28326	1.1
299.09021	2.0
299.23682	100.0
300.23978	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	18.4
53.03931	6.0
55.01875	11.5
55.05513	62.7
57.03438	36.1
57.07061	3.8
59.04980	7.6
67.05504	40.0
69.03407	7.1
69.07058	10.2
69.44711	7.9
69.45139	7.0
71.01337	8.9
71.04971	5.7
71.08614	2.5
79.05494	25.4
81.03405	13.7
81.06604	2.7
81.07057	50.0
83.04989	11.9
83.08620	36.7
85.06540	4.6
87.62034	1.8
91.05479	58.4
93.07040	43.6
93.17107	1.9
95.04975	14.1
95.08603	16.6
97.02887	11.6
97.06512	8.6
97.10152	5.5
99.00817	76.9
99.04462	2.9
99.08078	3.6
103.05475	4.7
105.07031	50.0
107.04948	16.9
107.08601	24.6
109.02872	24.9
109.06557	11.1
109.10149	14.6
111.04411	6.4
111.08103	12.6
113.05983	2.8
115.03910	6.1
117.06998	7.4
119.04952	2.0
119.08592	29.8
121.06499	27.7
121.10150	3.8
123.04435	6.3
123.08078	3.6
123.11688	9.1
127.03924	6.2
128.06210	4.4
129.06987	5.0
131.08549	4.2
133.06508	4.1
133.10127	100.0
134.10394	2.2
135.07962	2.3
135.11713	5.2
137.05928	5.3
137.09633	3.1
139.07507	8.2
143.08533	13.6
145.06522	4.4
145.10100	4.4
147.04478	2.5
147.08023	3.6
147.11633	2.6
151.11168	35.5
157.10136	2.9
159.11681	3.1
161.09612	48.5
165.09091	2.4
171.08119	12.2
179.10677	41.9
183.11649	2.4
189.09099	38.3
197.11725	16.9
207.10181	9.1
213.99594	2.5
225.11197	45.9
226.11525	2.0
243.12239	7.0
253.19426	5.1
255.06514	10.6
266.83218	2.1
283.05981	7.4
284.06693	8.0
299.05786	3.4
299.09296	34.1
299.14850	87.6
299.19824	11.4
299.23514	4.6
299.27228	3.3
300.09134	2.6
300.15134	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	299.0912
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
51.16663	0.2
67.14659	0.2
69.42596	1.8
78.30274	0.2
79.05470	0.2
124.01582	1.3
133.06474	1.5
135.04395	0.5
140.24814	0.2
140.25905	0.2
157.63080	0.2
167.03395	2.5
169.18472	0.2
197.05933	0.6
201.05513	0.4
211.07568	0.5
213.05501	0.4
227.07018	0.5
241.05023	0.7
255.06573	0.7
256.07297	37.0
257.07611	1.3
269.04443	0.2
283.06055	1.0
284.06784	17.8
285.07129	0.4
299.09131	100.0
300.09482	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	299.0912
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03963	0.4
55.05537	0.5
57.88054	0.3
64.70209	0.3
67.05531	1.2
69.03450	0.9
69.07085	0.9
70.51006	0.3
71.52572	0.6
73.15731	0.4
75.02361	0.4
77.47776	0.4
79.05508	0.7
81.07076	1.4
83.04987	0.3
85.29720	0.3
91.05527	1.3
93.07079	1.1
95.04999	0.6
95.08636	1.6
103.05556	0.4
105.03376	3.2
105.07081	1.2
107.04914	0.4
107.08614	0.9
109.06512	0.4
109.10217	1.0
111.04478	0.5
111.92234	0.4
119.08627	1.1
121.02892	0.4
130.68553	0.3
131.08542	0.4
133.10156	0.8
135.11729	0.6
137.02325	0.5
141.07083	0.4
143.08597	0.5
145.10133	0.8
147.11653	0.7
151.03917	0.5
155.08536	0.6
157.10138	0.9
159.11708	0.6
161.13271	0.6
167.04860	0.5
171.11652	0.6
179.03371	0.8
182.07385	0.5
183.11758	0.6
185.05984	0.6
185.13235	0.5
189.16298	0.4
195.02931	0.6
197.06055	1.0
197.13188	0.4
199.03983	0.7
210.06776	1.1
211.07489	0.7
213.05487	3.1
213.15488	0.4
225.05527	1.0
227.07057	1.6
238.06355	0.5
240.04189	0.7
241.04945	6.7
253.04999	0.7
253.19518	0.8
254.05661	1.1
255.06505	14.9
256.07257	7.2
256.09702	0.6
267.06506	1.7
268.03696	1.2
270.05231	1.0
275.94962	0.4
281.22708	0.5
283.05991	38.9
284.06763	55.5
285.07141	1.4
299.09109	100.0
299.20056	2.1
299.23645	1.3
300.09357	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	299.0911
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
54.84761	0.5
60.03658	0.5
70.33855	0.5
70.65716	1.0
70.66073	1.2
103.80731	0.5
105.03376	1.4
108.02087	0.6
120.87006	0.5
124.01576	1.5
126.85834	0.5
136.01570	0.9
139.00290	0.5
151.00275	1.9
152.01051	1.0
166.99754	0.6
178.02557	0.5
179.03387	0.8
182.02066	1.1
186.04826	0.5
198.01573	1.2
198.45851	0.6
207.02905	0.6
226.06166	0.9
236.45218	0.5
238.06175	4.0
241.04958	1.6
254.05699	1.6
255.06511	36.1
256.06979	0.7
265.05005	0.8
266.05750	2.4
267.06531	6.2
269.04422	1.7
270.05222	5.6
270.80664	0.6
281.04456	1.8
283.05981	36.3
284.06750	29.2
284.10007	0.7
285.07031	1.1
299.09116	100.0
300.09399	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	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01869	1.3
57.03422	0.9
61.01146	4.3
61.02922	1.2
65.03921	0.2
67.05497	0.5
69.03422	1.6
69.91080	0.5
69.91478	0.7
71.04980	0.2
73.02905	0.5
74.54483	0.2
75.02693	2.4
81.03407	1.5
83.04958	0.5
83.78397	0.2
85.02906	4.0
91.05444	0.5
92.04993	1.1
94.04057	0.5
94.06554	3.2
95.01321	0.4
95.04973	0.9
97.02888	2.9
103.02146	0.3
103.03926	1.0
104.05028	0.5
106.06549	0.6
109.02856	0.8
111.04430	0.8
115.05443	0.4
117.05739	0.7
117.06979	0.3
118.06533	4.5
119.03554	1.0
120.04456	13.1
123.04441	1.4
127.03892	0.6
130.06519	2.6
132.04419	0.5
132.08083	4.9
136.06175	100.0
136.07474	4.7
137.02348	0.6
137.04602	0.6
137.06483	0.8
139.03896	3.2
144.08122	0.7
145.03175	1.3
146.06006	13.6
148.07536	0.9
151.03854	0.9
153.01819	0.6
154.02151	0.6
156.08080	0.7
158.06044	0.8
160.07561	10.4
161.06021	0.3
161.07919	0.2
163.04268	1.2
164.07079	0.6
168.08064	0.3
169.04927	0.6
172.07553	2.7
178.08664	0.5
183.06908	0.5
184.07524	1.3
186.09142	0.5
190.08595	0.4
196.07585	0.8
198.09113	1.0
201.22668	0.2
202.08614	0.8
214.08591	1.4
220.09770	0.3
226.08635	1.1
232.09740	0.4
238.10701	1.8
244.09642	1.3
256.11823	0.8
262.10696	1.2
280.11777	3.8
298.09613	2.5
298.12820	9.8
299.05756	0.2
299.09393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0912
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.27619	0.4
54.43494	0.4
55.01867	0.5
55.05497	0.3
57.03437	0.6
57.07059	0.5
67.05491	1.2
68.99767	0.6
69.07077	0.7
77.10835	0.3
77.26521	0.5
78.20044	0.4
79.05495	0.4
81.07049	1.2
83.08601	0.4
91.05479	1.2
91.43324	0.3
93.07027	0.7
95.04982	0.4
95.08567	0.7
98.20781	0.7
105.03388	1.5
105.07024	0.7
107.08546	0.6
109.10162	0.8
117.07023	0.5
119.08580	1.3
121.10143	0.5
124.01560	1.2
125.02358	1.0
133.10109	0.9
136.01561	0.6
145.10123	0.5
147.11742	0.4
151.00247	2.7
151.97878	0.4
152.01100	0.4
153.01837	0.6
153.05473	0.6
153.06865	0.4
155.08577	0.5
163.03960	0.4
169.01273	0.5
170.02048	0.5
171.11658	0.5
179.03394	1.4
182.02097	0.8
193.01318	6.5
195.02881	42.1
198.01588	1.5
205.22754	0.4
210.06563	0.4
211.02364	8.2
213.03874	0.6
226.06277	1.0
227.07025	0.5
229.17862	0.4
229.66692	0.4
238.06148	1.8
239.06993	0.6
241.04903	1.5
242.05507	0.4
253.19679	0.5
254.05684	1.4
255.06512	30.9
256.07095	2.0
257.07913	0.5
265.04883	0.8
266.05685	2.1
267.06516	5.9
268.03693	0.6
269.04453	1.6
270.05234	6.5
271.05859	0.6
281.04413	1.8
283.06003	32.9
284.06772	26.6
285.07053	0.8
299.09119	100.0
299.20096	1.4
299.27118	0.9
300.09436	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	298.1147
Annotation	Nelarabine
Peak:m/z	Relative Intensity
55.05499	0.4
56.96550	1.1
57.03428	0.7
63.00309	0.4
67.05487	0.6
69.03426	1.7
70.06560	0.6
71.19436	0.9
73.06552	0.8
80.05009	0.7
81.03432	0.8
83.04993	0.4
85.02890	2.0
85.06529	0.6
91.05824	0.7
96.04512	0.7
97.02892	1.9
98.97574	1.4
101.06040	1.1
109.02853	0.8
110.03497	1.3
116.98624	1.1
119.01907	0.6
123.06649	0.5
124.03954	23.3
127.03889	0.9
128.04559	1.8
133.02805	0.5
136.06174	2.9
136.09743	0.7
137.02379	0.5
149.04556	4.9
152.05679	1.1
153.01869	0.5
153.04063	1.1
154.05045	0.5
166.07243	100.0
167.05647	17.5
167.07661	0.9
193.04510	0.6
202.04974	0.6
237.02910	0.5
250.89839	0.5
265.06464	0.6
274.07086	0.7
276.99969	0.4
298.09317	5.9
298.12622	1.0
299.05972	1.8
300.06418	2.4
301.25632	0.5
313.53061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01866	6.7
57.03436	4.2
60.96718	1.5
61.02932	7.8
67.05479	2.9
69.03426	10.0
70.06573	1.8
71.01359	1.6
71.43143	2.9
73.02905	4.7
81.03404	6.1
83.04993	2.2
85.02904	31.8
91.05482	4.5
92.04996	7.5
94.06561	16.2
95.04966	4.6
97.02875	11.5
99.04420	1.6
101.14400	1.9
103.03930	5.4
104.05017	3.9
106.06525	2.5
109.02872	3.2
111.04433	4.4
115.05460	3.0
117.05752	5.7
118.06535	29.3
120.04462	74.1
123.04436	7.2
127.03921	4.6
129.07083	1.9
130.06522	19.2
132.04419	4.2
132.08083	36.4
136.03874	1.9
136.06210	6.5
136.07573	44.2
139.03894	20.8
144.08076	4.7
145.05006	1.9
146.06000	100.0
148.07574	8.9
151.03854	8.1
151.07545	8.0
153.01949	1.7
154.05008	1.7
156.08093	3.6
158.06032	5.1
159.06833	4.2
160.07573	74.5
161.07950	2.0
168.87776	1.7
169.05031	4.0
170.09592	2.1
172.07581	17.9
174.09079	2.5
178.08624	2.9
180.08116	1.7
184.07616	9.6
185.08273	3.1
186.09100	4.4
196.07547	4.6
198.09126	7.2
202.08681	8.6
214.08591	13.3
226.08646	7.4
232.09686	5.7
238.10774	5.2
244.09724	9.2
253.08853	2.1
253.86508	2.0
256.11761	3.1
262.10782	8.9
270.92300	2.0
280.11774	21.2
298.12854	83.7
299.13232	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	298.0964
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.01865	0.6
55.05509	0.3
55.62460	0.2
57.03428	0.5
59.97204	0.2
61.01148	5.0
61.02919	0.9
67.05489	0.3
67.41788	0.2
69.03414	1.1
69.85439	1.4
75.02701	2.7
79.05448	0.2
81.03413	1.1
85.02892	2.4
87.04450	0.2
91.05452	0.3
92.04996	1.1
94.06565	2.5
95.01308	0.4
95.04935	0.6
97.02887	2.1
103.02148	0.4
103.03948	0.4
106.06547	0.5
109.02885	0.5
115.05449	0.4
117.05755	0.7
118.06530	4.0
119.03484	0.5
120.04460	9.9
123.04399	1.1
125.86500	0.2
127.03890	0.5
130.06526	2.4
132.08076	3.2
136.06174	100.0
136.07448	2.9
137.04613	0.6
137.06555	0.8
139.03911	2.1
143.07338	0.3
144.08052	0.7
145.03195	1.4
145.12686	0.3
146.04837	0.5
146.05994	9.6
147.06401	0.2
148.07579	0.8
151.03854	0.9
153.01822	0.4
155.93456	0.2
156.08101	0.5
158.05989	0.5
160.07559	7.9
161.05891	0.3
163.04185	1.2
169.04965	0.6
170.09676	0.4
171.18036	0.3
172.07558	2.1
178.08665	0.3
184.07607	1.1
186.09154	0.4
196.07481	0.5
198.07587	0.3
198.09215	0.6
202.08585	0.9
208.07568	0.3
214.08621	1.5
226.08589	0.6
232.09595	0.3
238.10686	1.6
244.09697	1.0
256.11737	0.3
262.10745	0.8
275.05548	0.3
280.11795	2.8
280.64890	0.3
298.09607	2.4
298.12878	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	297.1695
Annotation	Graphinone
Peak:m/z	Relative Intensity
53.03934	12.2
55.01875	14.6
55.05511	79.2
57.03207	3.4
57.03439	46.7
57.07072	6.1
65.03918	3.7
66.72374	3.5
67.05507	83.1
69.03425	14.7
69.06792	2.3
69.07074	24.5
69.29827	28.8
69.45820	2.6
70.16149	2.7
71.04981	7.3
72.32342	2.9
72.65537	2.6
79.05079	5.1
79.05494	61.3
81.03410	21.1
81.07058	64.0
83.04983	19.1
83.08622	25.2
85.02900	7.2
91.05479	41.5
93.07043	61.7
95.04961	39.5
95.08601	29.1
97.02877	4.2
97.06509	7.4
97.10164	49.7
105.07047	25.1
107.04939	13.7
107.08582	33.5
109.06518	9.6
109.10157	18.6
111.08026	3.7
117.07030	20.3
119.08558	9.4
121.06492	9.4
121.10132	10.9
123.08093	6.4
125.09635	41.8
131.04893	5.6
131.08583	16.7
133.10110	8.1
135.08023	9.5
135.11664	5.7
143.08586	4.8
145.06523	3.5
145.10104	11.1
147.11687	3.6
149.09595	4.3
149.13277	5.2
153.09109	4.2
159.11707	20.3
161.09634	6.3
169.10072	3.4
171.10204	6.0
177.12756	10.2
187.11177	9.1
189.11194	49.0
196.59351	2.6
205.12309	6.5
223.13286	100.0
223.15509	6.6
224.13606	3.5
227.12721	6.5
261.22208	2.8
297.16949	78.2
297.21829	3.7
297.25662	3.4
298.17349	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	297.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
53.88550	3.7
54.09446	5.7
55.01873	9.0
55.05484	6.3
56.96563	7.1
57.03437	5.9
57.65186	5.1
61.02910	10.2
67.05492	10.2
69.03406	17.4
69.07083	5.4
70.06608	5.0
71.42999	8.3
73.02878	7.6
73.04752	10.3
79.01856	6.7
79.05455	7.4
81.03413	45.9
81.07075	6.8
82.08164	3.9
83.04990	4.9
83.08583	4.1
85.02885	12.3
85.06582	5.4
91.05370	6.7
91.05854	7.8
93.07034	8.3
95.04960	10.9
95.08596	7.3
97.02888	23.7
97.06506	5.0
97.10134	5.2
99.04469	4.6
103.03943	21.2
103.05467	8.3
105.06996	7.7
106.04083	3.8
107.04947	16.3
109.02864	18.1
109.10117	3.7
117.07011	7.0
119.04932	11.1
121.06500	23.5
123.04424	33.0
125.02308	6.7
127.03920	10.2
130.06964	4.3
131.04916	8.9
133.06543	5.1
135.04446	8.9
140.04663	7.7
143.03322	5.1
146.03622	15.3
147.04378	33.1
149.05945	10.8
151.03893	6.9
153.01833	98.4
153.03011	8.5
154.14388	4.9
161.05951	5.5
163.03880	6.9
163.08638	7.2
164.04710	10.2
171.25987	4.6
173.05927	4.6
174.03140	6.5
177.05498	23.3
179.07069	4.6
180.04138	5.0
180.51955	4.2
183.06534	99.7
191.03914	7.4
192.04115	26.0
193.04741	4.7
205.04947	17.4
207.02927	11.5
207.06525	100.0
209.08101	11.1
213.05531	4.4
222.05212	25.3
225.04228	7.0
233.08098	9.7
235.06024	10.1
237.07596	22.4
247.06076	6.6
249.07764	6.6
261.07516	14.6
267.00137	21.0
267.08691	5.5
279.08685	12.5
279.13272	4.6
279.84573	4.3
280.06271	10.1
281.05270	5.1
283.03125	24.2
297.06088	16.3
297.09943	12.6
297.14484	11.7
299.06149	72.9
300.06021	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
52.76881	3.9
53.03944	10.3
55.01871	37.2
55.05508	62.0
57.03425	13.5
57.07076	10.3
62.54413	3.3
63.78190	3.8
67.05501	95.2
68.05795	3.6
69.03425	13.3
69.07066	57.2
71.04979	12.1
71.08631	30.9
71.51810	5.3
79.05487	65.1
81.03415	23.3
81.06596	7.5
81.07053	100.0
83.04970	26.9
83.08614	35.8
84.63145	3.5
85.06548	10.8
85.10178	14.6
91.05471	46.4
93.07034	67.8
93.07574	5.8
95.04954	21.6
95.08601	69.9
97.06538	21.2
97.10165	18.6
99.08089	25.0
103.05507	4.5
105.07027	43.6
107.04942	11.2
107.08586	38.2
109.02890	5.8
109.06507	7.7
109.10149	37.4
111.08068	46.6
111.08707	5.1
111.11794	4.0
113.09656	11.2
117.07007	14.0
119.08604	32.7
121.06481	5.4
121.10123	38.6
123.08060	13.5
123.11712	25.9
125.09627	13.4
129.06978	8.7
131.04919	4.0
131.08597	8.3
133.06497	9.5
133.10132	36.4
135.11691	15.4
137.09625	11.2
139.07463	3.7
139.11162	8.5
143.08572	6.5
145.04961	4.3
145.10133	11.2
147.11656	29.2
149.02327	4.7
149.09627	9.1
149.13297	16.3
151.11179	23.8
153.12749	5.7
157.10118	9.1
159.11697	9.1
161.09636	6.4
161.13249	20.9
163.11186	13.2
163.14841	5.8
165.12752	24.5
167.14378	6.0
171.11682	8.4
173.13229	7.7
175.03905	5.8
175.11223	5.3
175.14851	7.4
177.12720	6.4
177.16489	6.3
179.14323	13.8
183.11618	4.7
185.13297	9.6
189.11169	6.3
193.15799	4.6
199.14780	5.7
221.15321	5.6
225.16444	5.1
231.21092	5.2
241.19586	8.2
249.22238	9.0
259.20560	12.0
277.21619	98.4
289.03625	4.4
295.05975	16.9
295.09164	6.1
295.17145	4.4
295.22650	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	5.2
55.05505	32.2
57.03419	3.7
57.07066	6.9
61.30904	3.1
67.05498	68.2
69.07062	24.6
70.13384	8.5
70.13782	7.0
71.04974	3.5
71.08620	46.8
78.08924	3.2
79.05489	60.7
81.03427	7.4
81.07052	73.9
83.04964	15.2
83.08616	19.8
85.06504	4.9
91.05470	32.3
93.07033	70.5
95.04962	10.6
95.08594	40.8
95.13264	3.2
95.79443	3.5
97.06504	11.5
97.10152	14.6
99.08080	36.9
105.07028	20.5
107.04946	4.4
107.08585	40.5
109.06475	3.6
109.10139	32.0
111.08034	6.5
113.09599	3.3
117.07029	6.3
119.08555	19.7
121.10130	37.0
123.11668	3.8
125.09621	5.6
131.08522	3.9
133.10118	13.4
135.11682	44.4
137.09622	4.4
138.45908	2.8
139.11145	3.5
145.10158	9.1
147.11584	7.1
149.13232	17.4
150.74609	3.2
151.11139	20.4
153.12733	3.7
159.11595	5.1
161.13258	12.7
163.11200	6.4
171.11707	3.8
173.13231	4.5
175.14795	4.5
177.12698	3.8
179.14285	100.0
185.13124	4.9
189.11160	6.1
189.12766	4.8
221.15356	5.7
224.15982	3.9
241.19695	4.3
259.20483	7.2
277.21613	43.3
295.24396	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.77803	3.2
53.03949	24.5
53.21911	3.5
54.09285	3.3
55.01870	9.9
55.05514	35.5
57.03426	4.9
57.07067	7.3
67.05506	75.4
69.07066	51.8
70.12639	17.1
71.04996	3.7
71.08610	4.9
79.05496	49.5
79.40250	3.4
81.03420	86.2
81.07056	79.3
83.04997	17.1
83.08599	17.4
85.06525	4.8
85.10161	5.1
91.05486	34.7
92.75739	3.7
93.07038	55.8
95.04971	45.6
95.08611	35.0
97.06520	4.9
97.10168	11.1
99.08092	6.6
105.07034	36.5
107.08601	43.0
109.06492	10.9
109.10168	29.1
111.08057	7.6
117.07020	5.3
119.08549	15.5
121.06492	5.5
121.10165	17.7
123.11689	14.8
125.09588	7.3
129.07011	5.8
131.08551	9.6
133.10130	27.3
135.08066	6.2
135.11722	10.0
137.09627	4.2
143.08565	6.6
147.11650	16.4
149.13240	14.0
151.11188	66.8
153.09090	7.2
157.10104	8.3
158.22720	3.5
161.09563	4.8
161.13202	14.5
163.14806	8.5
165.12744	12.9
171.11671	8.0
175.11070	4.3
175.14798	6.2
179.14346	9.5
185.13336	5.4
189.12759	7.4
193.12149	5.0
199.14761	4.9
221.15251	6.5
231.21066	16.9
233.15440	4.7
241.19527	8.2
249.22112	9.0
259.20517	10.7
273.16104	6.2
274.60483	4.5
277.21649	100.0
295.20416	4.5
295.23987	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	295.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73592	0.8
53.03930	2.2
55.01873	7.8
56.73332	0.7
57.03438	13.4
57.11794	0.9
59.04984	1.6
61.02925	10.2
62.72335	0.8
67.05486	1.6
69.03431	22.1
69.07072	11.1
70.06578	0.8
70.75623	2.5
71.01340	2.4
71.04979	2.9
73.02916	16.2
79.05492	1.6
81.03417	12.5
81.07040	2.0
85.02905	100.0
86.03245	0.8
86.09719	1.1
87.04475	5.3
87.08112	10.4
91.03960	6.6
91.05466	2.7
93.07020	1.9
94.06576	1.2
95.04936	0.9
95.08616	1.2
97.02895	25.4
97.10129	0.9
99.04472	4.0
101.02322	0.9
103.03934	2.0
105.07054	2.0
107.08619	1.0
109.02865	10.6
109.06439	0.7
111.04446	1.2
115.03919	8.7
115.05415	1.3
116.88254	0.8
117.06989	0.9
119.04988	1.3
119.08558	0.8
121.02863	1.7
121.06493	1.3
121.10159	1.0
123.04440	1.1
127.03909	23.1
133.04959	10.4
133.06505	0.9
136.07565	4.7
139.03931	1.4
145.04964	22.4
145.06706	1.0
146.06015	2.3
147.04384	1.6
150.07738	10.8
151.03906	7.1
151.05008	1.1
151.07484	0.9
161.05962	1.1
161.10735	1.0
163.03885	2.5
163.06046	3.0
165.07001	1.2
175.03845	1.6
177.05434	1.3
181.05020	1.0
189.05389	1.1
191.03439	1.0
193.06535	1.0
217.05003	0.8
221.05946	6.8
222.06224	1.0
236.11069	0.9
239.07025	1.1
249.05455	9.2
251.03215	0.8
253.27045	1.0
264.72403	0.8
277.05090	4.1
295.05862	24.5
295.12997	2.6
295.16287	1.4
296.06155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03941	5.3
55.01863	5.8
55.05493	8.5
57.03436	19.5
59.04993	2.5
61.02891	4.0
67.05507	14.3
69.03430	100.0
69.07071	32.4
70.84694	5.0
70.85031	2.3
71.01321	2.8
71.04990	5.3
73.02906	9.4
75.04462	2.5
76.64831	2.0
79.05489	7.9
81.03416	33.3
81.07059	25.3
82.03802	2.3
82.06546	1.9
83.04971	3.1
83.08596	2.8
85.02908	49.6
87.04453	30.2
91.05466	7.7
93.07043	10.1
95.04971	9.2
95.08624	16.6
97.02891	50.2
97.06507	5.1
97.10164	3.8
99.03101	2.0
99.04454	13.8
103.03925	8.2
105.07027	9.7
107.04955	5.2
107.08621	12.2
109.02861	13.7
109.06515	5.0
109.10145	18.4
111.04440	3.8
111.08117	2.6
113.09671	2.5
115.03933	32.6
117.05474	5.9
117.07008	2.9
119.08562	8.2
121.06506	3.6
121.10138	9.8
123.04423	3.0
123.08081	3.2
123.11696	14.9
125.06050	2.7
125.09631	5.1
127.03928	13.1
129.05481	2.1
129.07024	2.8
131.04993	2.5
133.04951	39.1
133.06480	5.5
133.10124	4.5
135.04379	4.1
135.08049	2.6
135.11697	7.6
137.05962	2.4
139.03859	2.2
143.03433	3.1
145.04947	20.8
147.08086	3.4
147.11664	3.1
149.09663	5.0
151.11189	12.9
151.30077	2.5
157.10132	2.8
158.37421	2.2
159.11690	4.4
161.04427	2.3
161.09644	2.4
161.13261	2.8
163.03885	5.3
163.07570	2.4
163.11209	3.0
169.04991	6.1
171.11642	3.6
175.14821	2.6
177.05466	3.1
181.04930	2.8
183.08047	2.8
193.04948	3.4
197.12979	2.3
211.03929	3.0
229.07097	3.0
235.07428	2.2
241.06952	3.2
249.14539	2.5
259.07993	2.9
277.09076	6.4
277.21783	3.7
295.02502	5.8
295.06073	9.7
295.09613	6.7
295.15097	10.0
295.20428	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	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01863	5.8
55.05493	8.5
57.03436	19.5
59.04993	2.5
61.02891	4.0
67.05507	14.3
69.03430	100.0
69.07071	32.4
70.84694	5.0
70.85031	2.3
71.01321	2.8
71.04990	5.3
73.02906	9.4
75.04462	2.5
76.64831	2.0
79.05489	7.9
81.03416	33.3
81.07059	25.3
82.03802	2.3
82.06546	1.9
83.04971	3.1
83.08596	2.8
85.02908	49.6
87.04453	30.2
91.05466	7.7
93.07043	10.1
95.04971	9.2
95.08624	16.6
97.02891	50.2
97.06507	5.1
97.10164	3.8
99.03101	2.0
99.04454	13.8
103.03925	8.2
105.07027	9.7
107.04955	5.2
107.08621	12.2
109.02861	13.7
109.06515	5.0
109.10145	18.4
111.04440	3.8
111.08117	2.6
113.09671	2.5
115.03933	32.6
117.05474	5.9
117.07008	2.9
119.08562	8.2
121.06506	3.6
121.10138	9.8
123.04423	3.0
123.08081	3.2
123.11696	14.9
125.06050	2.7
125.09631	5.1
127.03928	13.1
129.05481	2.1
129.07024	2.8
131.04993	2.5
133.04951	39.1
133.06480	5.5
133.10124	4.5
135.04379	4.1
135.08049	2.6
135.11697	7.6
137.05962	2.4
139.03859	2.2
143.03433	3.1
145.04947	20.8
147.08086	3.4
147.11664	3.1
149.09663	5.0
151.11189	12.9
151.30077	2.5
157.10132	2.8
158.37421	2.2
159.11690	4.4
161.04427	2.3
161.09644	2.4
161.13261	2.8
163.03885	5.3
163.07570	2.4
163.11209	3.0
169.04991	6.1
171.11642	3.6
175.14821	2.6
177.05466	3.1
181.04930	2.8
183.08047	2.8
193.04948	3.4
197.12979	2.3
211.03929	3.0
229.07097	3.0
235.07428	2.2
241.06952	3.2
249.14539	2.5
259.07993	2.9
277.09076	6.4
277.21783	3.7
295.02502	5.8
295.06073	9.7
295.09613	6.7
295.15097	10.0
295.20428	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01867	6.8
55.05508	5.2
57.03435	25.9
59.05005	6.6
61.02925	3.6
67.05496	8.6
69.03426	100.0
69.07068	9.6
69.28174	2.4
70.62748	8.9
71.01347	5.0
71.04980	3.5
73.02926	13.2
73.19884	2.5
79.05493	3.2
81.03417	20.3
81.07065	15.6
83.04957	5.1
85.02898	63.6
85.03386	4.4
85.06531	2.7
87.04467	33.8
91.05490	4.0
93.07042	7.8
93.24715	2.5
95.04955	6.6
95.08598	13.6
97.02299	4.7
97.02888	59.2
97.06528	2.6
99.04443	16.2
103.03922	9.7
105.07038	7.8
107.08601	4.8
109.02886	9.1
109.06510	4.3
109.10152	9.5
111.04447	3.3
115.03919	53.0
117.05466	2.7
119.08526	2.8
121.10133	7.2
123.04436	8.2
125.09669	4.6
127.03913	18.9
133.04948	55.3
133.06531	7.3
133.10141	3.0
145.04971	34.4
151.03906	4.2
163.03844	5.6
165.05635	3.8
169.04973	5.4
211.05827	2.7
241.07031	5.0
245.71835	3.0
249.05473	4.1
259.08176	4.9
277.09152	8.2
295.05997	23.8
295.09415	5.8
295.23193	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	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.7
66.04718	0.2
67.05486	0.5
70.80394	0.6
71.08631	0.5
79.05479	0.8
81.07057	2.2
83.97540	0.2
88.07597	0.3
91.05473	0.5
94.04197	2.3
97.10165	0.3
107.08607	0.2
109.06506	0.5
122.03644	7.8
123.11701	1.6
137.05971	100.0
138.06277	1.2
141.12712	0.4
158.15404	1.3
170.15382	2.4
252.43764	0.2
276.20453	0.4
294.07800	0.3
294.20767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05502	0.3
55.36771	0.3
56.96558	0.4
57.07065	1.3
67.05493	0.4
69.37701	0.7
69.38107	2.5
71.08614	1.3
79.05478	1.2
81.07045	1.0
82.11930	0.3
82.94860	0.4
91.05483	0.8
93.07012	0.4
94.04193	2.5
95.08600	0.3
98.21494	0.6
107.04958	0.5
109.06500	0.9
122.03642	7.9
137.05972	100.0
138.06287	1.0
141.12743	2.7
158.15399	1.0
170.15436	0.5
214.54333	0.3
276.20361	0.6
286.53748	0.3
294.07431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0811
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
53.03946	1.0
55.01860	1.6
56.96552	1.1
57.03419	2.7
57.07084	0.7
61.02937	1.0
66.47378	0.6
67.05495	1.3
68.97863	0.7
69.03419	2.0
71.40421	1.2
73.02921	4.4
79.05476	1.4
81.03420	1.6
81.07048	1.5
82.46244	0.6
85.02895	3.0
86.09683	0.9
89.03899	3.3
91.05465	1.6
93.82363	0.6
95.04948	1.4
97.02879	1.8
101.02343	1.5
103.03944	10.6
103.05445	2.0
105.06998	1.3
107.04974	1.0
109.02882	0.7
111.04399	1.2
111.08043	0.7
114.57676	0.8
115.05418	3.5
117.03372	2.1
119.04939	1.7
119.06114	1.0
121.02870	2.1
123.04433	1.4
128.06264	1.0
129.07016	1.6
131.04916	3.1
132.95819	2.6
133.06470	0.7
135.03421	1.5
135.04420	26.3
135.08669	0.7
137.02367	1.4
137.06006	1.1
139.03888	1.3
141.06995	0.9
143.04927	3.4
144.95866	0.8
145.02817	2.9
145.06413	1.0
146.05991	1.9
147.04411	9.3
149.06017	1.8
150.07716	1.6
150.96936	1.3
157.06505	1.7
159.04561	0.8
161.05981	7.4
163.03899	100.0
164.04376	1.3
165.05527	1.5
165.06947	1.1
167.03488	0.8
167.04851	0.9
171.04425	1.6
173.05968	2.2
174.96860	2.1
175.03897	8.1
175.07478	1.3
177.05460	5.5
179.03397	2.4
185.05974	2.5
186.96970	1.1
187.03906	1.7
189.05458	8.8
190.86172	0.6
191.03413	2.2
192.95929	0.7
192.97832	0.8
193.04962	43.8
199.03865	1.0
201.05479	1.2
203.07004	1.6
205.04910	4.4
213.05383	3.6
215.06958	1.2
217.04935	5.9
221.04135	0.9
221.06013	5.4
229.04785	0.8
231.06509	4.1
233.04530	1.1
234.98993	1.0
235.06046	2.9
249.05495	5.1
249.07582	1.0
259.05994	3.3
277.04892	2.4
277.07336	1.6
277.21777	0.7
291.04321	0.7
295.05838	10.7
295.08200	13.7
295.12997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01854	0.8
55.05499	0.7
56.05016	0.5
56.96560	3.3
57.03187	0.2
57.03438	1.7
57.05810	0.2
58.03772	0.3
58.06591	0.4
61.02921	1.7
67.05509	0.5
68.99755	0.2
69.03042	0.2
69.03426	6.4
69.07063	10.5
69.96334	0.5
69.96739	0.5
70.03785	0.2
70.06581	0.5
71.01357	0.2
71.04981	1.0
72.04527	0.3
73.02913	1.8
81.03414	3.0
83.04974	0.4
83.06074	0.2
84.08150	0.4
84.96012	0.5
85.02898	9.4
85.06540	0.4
86.03214	0.2
86.09700	100.0
87.03245	0.3
87.04469	0.7
87.10023	0.7
91.03951	0.4
91.05486	0.2
92.30148	0.2
97.02881	5.0
98.03178	0.2
98.09673	0.4
98.97565	2.9
99.04445	1.4
99.97930	0.4
101.00900	0.3
101.02397	0.2
102.07487	0.2
102.58935	0.2
102.71927	0.2
109.02863	2.4
110.01311	0.3
110.06096	0.3
110.97571	0.9
112.99126	0.4
113.98650	0.5
114.05527	0.2
115.03934	0.4
115.07615	0.3
116.98603	2.3
119.01870	1.6
120.01992	0.5
121.01650	0.3
127.03904	5.4
128.02322	0.3
128.98579	1.6
131.00159	0.5
131.01874	0.8
131.96135	2.7
131.99689	0.9
132.07016	0.2
132.10193	5.8
134.73839	0.2
134.99657	0.8
137.02927	0.4
140.02342	0.2
140.98680	0.3
143.00180	0.4
143.01909	0.4
143.96146	1.0
144.98042	0.3
145.01717	0.4
145.03519	0.3
145.04968	1.6
146.05188	0.2
146.99634	1.2
147.03186	0.3
148.63191	0.2
149.02919	0.3
149.97131	1.3
150.00739	0.6
150.96909	0.2
151.02689	0.3
153.05765	0.8
153.07578	0.4
154.08620	0.4
155.04668	0.7
157.03506	0.3
158.99687	1.1
159.05124	0.2
161.01315	0.5
161.02953	0.8
161.06699	0.4
161.97183	1.0
162.01750	0.2
162.03046	0.4
163.02658	0.5
163.03989	0.4
164.05212	0.3
165.00726	0.4
169.04404	0.3
170.05254	0.2
170.99710	0.6
171.05035	0.3
173.03021	0.4
173.04474	0.9
173.06577	0.3
173.97208	2.0
174.00754	0.7
174.11319	0.2
175.02794	0.3
175.04347	0.5
177.00708	1.0
177.04254	0.6
178.04959	0.8
179.02219	0.2
179.07692	0.2
182.01729	0.3
182.03313	0.5
184.04823	0.5
185.02943	0.5
185.97212	0.7
186.96719	0.2
187.02667	0.2
188.01405	0.3
189.00732	0.7
189.06097	0.6
191.03923	0.9
191.05627	0.3
191.98221	1.6
192.01785	0.6
194.08157	0.2
195.01662	0.2
200.04439	0.4
201.00677	0.6
201.02444	0.2
201.04213	0.4
201.06064	0.4
202.01166	0.7
203.04048	0.3
203.07697	0.6
203.98265	1.0
204.02898	0.3
204.06517	0.4
204.08638	0.2
207.01758	0.3
211.01010	0.3
212.12827	0.5
213.03477	0.6
213.07082	0.9
215.07672	0.4
217.01428	0.3
219.01817	0.9
220.02171	0.3
221.05081	0.4
222.03760	0.2
223.04817	0.2
230.13853	1.3
232.02286	0.2
233.99419	0.5
235.01251	0.3
237.02802	1.3
238.03207	0.2
240.12366	0.3
248.14998	0.9
248.99376	0.3
252.00507	0.3
252.04695	0.3
258.13400	2.0
271.03198	0.3
275.02139	0.3
276.14383	3.2
277.11856	0.2
294.06094	0.4
294.09885	0.7
294.15390	2.7
295.06985	0.3
295.12836	0.4
303.01285	1.2
305.10913	0.6
309.08414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0759
Annotation	9-Methoxyaristolactam II
Peak:m/z	Relative Intensity
55.05476	0.7
67.05472	1.1
69.07038	1.1
79.05443	0.9
80.05800	0.6
81.03329	0.4
81.07010	1.6
82.07347	0.7
93.07050	0.6
95.04935	0.9
95.08572	1.4
98.21581	0.8
107.08572	1.0
109.10134	0.6
110.10455	0.6
119.08562	0.6
131.04854	0.5
140.61136	0.5
147.11670	0.6
155.07271	2.0
165.07011	2.3
179.07280	2.9
182.06030	4.0
183.06828	3.3
191.07181	2.4
192.08054	7.0
195.06772	0.6
204.08078	3.1
207.06783	15.3
208.07428	1.1
211.06271	2.2
219.06725	3.1
220.07561	40.3
221.07854	1.4
232.07558	38.2
233.07864	1.4
248.07059	62.0
249.07411	1.8
276.06540	100.0
276.20404	1.2
277.06851	2.9
294.07590	42.8
294.21008	0.6
295.07874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	4.4
55.01862	14.4
55.05509	24.1
56.55912	3.5
57.03411	6.6
57.07065	14.2
67.05501	55.2
69.07066	27.0
71.04959	4.2
71.08626	2.9
71.52041	3.6
79.05487	51.4
81.03413	8.8
81.06594	6.7
81.07048	100.0
83.04982	7.6
83.08600	17.2
85.06519	4.5
91.05470	33.2
93.07030	38.6
95.04971	23.4
95.08602	37.0
97.06523	13.9
97.10128	3.8
99.08150	3.8
105.07019	41.5
107.04961	9.4
107.08595	31.2
109.06509	22.4
109.10168	20.2
111.04400	4.7
117.07015	12.2
119.08591	30.4
121.06485	6.5
121.10123	20.2
123.08044	12.9
123.11696	5.6
123.54583	2.9
125.09561	5.8
131.08582	15.7
133.10107	27.4
135.07961	3.9
135.11697	11.3
137.09604	7.2
137.62070	3.2
143.08575	4.8
145.10133	20.7
147.07951	5.0
147.11685	21.7
149.09628	16.8
149.13283	7.4
151.11212	4.6
157.09979	3.8
159.11679	10.7
161.13281	4.3
163.11182	12.5
167.16698	3.3
171.11743	3.8
173.13248	7.2
180.96628	3.5
181.04825	4.6
183.11725	3.6
185.13231	3.9
209.11694	8.8
219.17473	12.8
229.19594	3.4
237.11119	18.0
247.20544	7.2
257.19034	8.8
275.20062	89.1
293.21051	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.06982	2.7
53.03939	7.2
55.01863	9.2
55.05508	32.7
57.03432	6.2
57.07060	4.4
65.03957	4.3
67.05501	56.4
69.03432	3.6
69.07064	32.0
71.04979	5.7
77.45169	2.5
79.05486	46.1
81.03405	12.4
81.07053	100.0
83.04966	10.3
83.08615	14.4
85.06525	4.5
91.05479	36.7
93.07036	39.6
95.04964	30.4
95.08598	37.4
97.06534	7.2
97.10172	6.4
101.06020	3.2
105.07029	37.0
107.04926	13.4
107.08585	25.8
109.06518	33.4
109.10136	20.1
110.94925	2.9
111.08052	9.1
111.60960	3.2
117.07027	9.2
119.08585	34.8
119.71899	2.9
121.06496	6.7
121.10127	22.8
123.08084	18.4
123.11708	6.5
125.09605	6.3
129.06992	3.8
131.04895	2.8
131.08549	19.4
133.06508	3.0
133.10141	25.0
135.08049	6.5
135.11707	11.3
137.05931	5.9
137.09625	11.5
145.10092	15.0
147.11702	23.1
149.09612	13.6
149.13235	6.8
151.11166	6.7
157.10155	4.5
159.11684	10.7
161.13309	3.6
163.11201	9.2
165.12762	3.3
170.20792	3.0
171.11787	5.0
173.13283	4.3
175.11212	4.6
177.12727	6.5
183.11604	3.5
185.13332	3.3
187.14873	3.5
223.13304	3.0
226.22160	2.9
229.19415	3.9
239.17920	7.4
247.20555	5.9
257.19016	13.1
275.16949	4.9
275.20050	82.9
279.05295	3.3
293.21094	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.14419	2.2
53.03937	7.7
55.01871	19.4
55.05511	28.6
57.03429	6.6
59.59113	2.1
65.03943	3.4
66.27962	2.3
67.05505	36.9
69.03420	4.7
69.07063	26.8
71.05001	3.1
71.52666	3.0
71.53082	3.2
77.03941	2.6
79.05487	49.3
81.03424	11.2
81.07050	43.7
83.04968	5.8
83.08627	12.7
85.06527	5.7
86.04520	2.1
91.05479	35.7
93.07039	38.7
95.04957	12.7
95.08599	27.3
97.06522	27.8
97.10158	11.4
103.05460	2.6
105.07022	39.7
107.04955	12.0
107.08582	74.6
109.06499	14.3
109.10162	15.9
111.08050	5.2
117.06976	11.9
119.08587	20.8
121.06516	3.6
121.10152	18.8
123.04403	2.8
123.08055	8.8
123.11757	5.4
125.09617	15.1
129.07001	5.4
131.04921	3.9
131.08563	17.3
133.10112	30.1
135.08112	4.7
135.11681	8.2
137.09625	5.3
143.08594	2.4
145.10135	15.6
147.11670	13.2
149.09599	24.7
149.13324	4.4
151.11174	8.9
155.08617	2.4
157.10110	4.3
159.11684	19.3
161.13266	5.5
163.11186	10.3
165.09146	9.8
169.10098	4.2
171.11664	6.0
173.13223	6.3
175.11201	2.9
177.05460	6.4
177.12738	3.5
178.06271	5.7
181.12175	2.2
183.11693	2.6
185.13164	4.2
187.11177	4.2
187.14833	5.1
189.11212	8.9
191.14330	2.7
195.14053	2.7
197.13303	3.4
201.16454	2.5
203.14339	3.6
219.17471	10.1
221.15396	5.2
229.19487	4.6
233.11549	11.2
234.81433	2.6
239.18001	8.4
247.20590	9.2
257.19000	15.8
275.20035	100.0
276.20419	3.0
293.18036	4.0
293.20856	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03954	6.1
55.01867	7.4
55.05512	17.4
57.03422	3.0
57.07059	2.4
62.42837	1.4
65.03934	1.4
67.05502	27.7
69.03415	5.0
69.07069	15.6
71.05000	3.1
71.06281	3.1
77.07691	1.2
79.05492	24.9
81.03407	12.2
81.07052	40.8
81.07536	2.6
83.04970	3.2
83.08620	7.6
85.02867	1.7
85.06527	2.0
88.26433	1.2
91.05476	18.6
92.51280	1.2
93.07037	27.7
95.04961	10.8
95.08067	1.8
95.08604	20.2
97.02890	2.1
97.06531	10.5
97.10162	5.6
103.05465	33.6
105.07027	18.7
107.04953	6.4
107.08583	26.5
109.02863	5.3
109.06518	10.3
109.10159	15.8
111.08047	3.9
117.06991	7.3
119.08562	15.7
121.06491	3.3
121.10126	12.3
123.08050	5.1
123.11699	4.7
125.09621	6.0
127.03940	1.4
129.07013	2.2
131.04924	100.0
131.08575	7.4
132.05261	4.9
133.06323	1.1
133.10129	14.1
135.08028	4.4
135.11668	6.2
137.09567	5.1
139.11185	1.6
145.06387	1.3
145.10123	9.9
147.11684	9.5
149.09613	12.3
149.13208	3.5
151.11194	7.2
155.08586	1.5
157.10100	2.2
159.11694	6.8
161.09595	2.4
161.13261	3.3
163.11171	7.0
165.09050	4.7
165.12770	2.2
169.10110	2.8
171.11639	2.5
173.13264	3.4
175.11182	1.9
177.12712	2.2
179.14220	1.3
183.11679	2.2
187.14867	1.9
189.11168	2.5
189.12787	1.5
199.14748	1.4
223.13239	1.4
229.19417	2.0
235.16711	1.2
239.17937	5.0
247.20506	4.4
257.18948	6.0
257.22708	1.5
262.12375	1.4
275.09100	1.2
275.20056	62.1
276.20374	2.0
293.10703	1.3
293.13782	2.3
293.21008	17.1
294.21414	1.5
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	12-OPDA
Peak:m/z	Relative Intensity
54.42525	2.8
55.01874	16.2
55.05508	59.0
57.07064	5.1
67.05502	41.5
69.03426	4.8
69.07055	10.4
70.68320	11.7
71.04986	4.3
75.97063	2.7
79.05489	84.5
81.03414	4.0
81.07056	39.6
83.04974	14.0
83.08614	20.4
83.13098	2.8
84.12222	3.0
91.05478	32.5
93.07039	45.5
95.04963	7.3
95.08590	15.4
97.06498	9.1
97.10167	28.0
105.07035	29.9
107.04951	51.0
107.08584	64.3
109.06519	5.6
109.10146	23.9
117.06994	7.4
119.08590	25.9
121.10143	14.1
123.11703	7.8
125.09601	27.0
127.07558	3.0
129.07022	3.4
131.08569	11.2
133.10130	19.2
135.08058	11.7
135.11725	3.4
145.10136	12.4
145.45572	2.8
147.11710	11.6
149.09607	84.7
153.09076	7.7
157.10101	3.5
159.11691	6.2
161.13251	7.3
163.11169	4.9
169.12300	6.3
173.11775	6.8
173.13231	5.2
187.13287	4.9
189.11195	25.1
200.66124	4.2
209.12041	3.2
217.89879	3.3
229.19482	7.1
237.11285	8.0
247.20573	8.7
257.18994	22.1
275.20020	100.0
293.21082	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.01579	1.5
53.03926	6.1
55.01862	3.7
55.05510	14.5
56.96525	1.3
57.03423	2.9
57.07053	4.3
59.04984	2.9
59.73456	1.2
62.05552	1.3
65.03966	1.3
67.05501	20.8
69.03437	17.7
69.07064	14.5
71.04975	4.5
76.69642	1.3
79.05495	21.1
81.03413	48.5
81.06601	2.4
81.07052	40.2
83.04977	9.1
83.08603	4.0
85.02885	5.3
85.06530	5.5
91.05476	15.3
93.07037	44.5
95.04958	15.3
95.08605	32.3
97.02887	4.7
97.06509	5.6
97.10149	5.1
99.04446	3.0
101.06007	5.2
103.05463	14.3
105.07025	16.9
107.04926	3.7
107.08583	29.3
109.02868	19.4
109.06497	9.6
109.10158	21.6
111.04432	1.6
111.08057	5.5
113.06035	2.1
113.09692	1.5
117.06989	3.9
119.08578	18.4
121.06492	10.5
121.10140	41.1
123.04422	25.2
123.08067	4.8
123.11699	9.9
125.05966	2.5
125.09613	8.4
127.03893	5.0
127.07546	2.2
129.06976	2.9
131.04921	44.7
131.08548	11.7
132.05281	2.1
133.06461	1.4
133.10115	12.0
135.08055	12.3
135.11693	8.8
137.05960	2.4
137.09631	6.9
137.13348	3.0
139.03908	1.5
139.07581	1.9
139.11143	4.1
141.06911	1.9
143.08575	3.1
145.10123	8.6
147.08040	5.0
147.11674	4.6
149.02313	3.9
149.05988	3.4
149.09608	36.1
149.13228	6.3
151.11195	6.5
153.09070	4.4
157.10077	3.2
159.07988	3.1
159.11697	6.2
161.09628	3.1
161.13184	3.6
163.07597	1.5
163.11192	6.3
163.14775	3.1
165.09081	3.2
167.10674	5.5
171.11678	1.6
173.09641	3.7
173.13280	7.1
175.11142	3.6
175.14818	2.2
177.09087	2.2
177.12746	2.6
179.07288	1.6
179.10686	14.2
181.12166	3.0
183.11688	2.3
185.68059	1.4
187.11160	3.9
187.14792	3.1
189.12743	2.7
191.07329	1.5
191.10638	1.5
191.14264	6.0
193.12225	2.2
199.14879	2.2
201.12715	3.2
201.16484	1.9
204.08008	2.9
205.12244	2.2
205.15891	2.1
207.06764	4.8
207.13626	1.3
215.10699	2.2
215.14261	1.4
215.17902	2.0
217.15828	2.0
219.13829	4.9
220.07553	16.7
229.19502	2.4
232.07510	14.7
233.15350	3.5
233.18967	1.5
237.05942	1.5
239.17998	1.8
247.13336	1.5
248.07059	26.8
257.19012	5.5
275.09225	1.7
275.16907	2.2
275.20023	34.9
276.06531	33.9
276.20377	2.0
293.08203	2.7
293.13873	29.7
293.21094	100.0
293.24551	3.8
294.07562	16.5
294.14072	3.2
294.21371	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	4.5
55.01871	5.1
55.05507	12.7
55.65757	2.0
64.91909	2.1
67.05495	32.1
69.07066	26.2
69.79972	4.0
69.80373	9.3
77.27862	2.3
79.05478	20.2
80.52177	1.7
81.03412	2.9
81.07052	32.6
83.04963	8.2
83.08607	6.1
91.05473	19.2
93.07034	29.3
95.04956	8.3
95.08598	24.7
95.60313	1.7
97.06518	4.8
98.20802	2.8
105.07027	27.0
107.04935	5.9
107.08581	17.5
109.06521	10.0
109.10147	11.5
117.06989	5.2
119.08575	15.7
121.06494	9.0
121.10172	10.3
123.08048	5.3
123.11700	4.0
129.07018	2.1
131.08549	14.9
133.06531	2.6
133.10115	17.4
135.08023	7.3
135.11674	6.2
145.10126	14.0
147.08076	4.7
147.11647	10.8
149.09605	7.7
151.11162	6.9
155.08609	2.3
157.10126	5.4
159.08022	2.6
159.11646	6.2
161.13272	4.6
163.11159	3.6
169.10060	2.2
171.11671	4.0
173.13245	3.0
177.12674	3.8
191.14259	2.6
191.35155	2.2
197.13098	2.2
201.12720	2.9
207.13643	2.2
219.13826	5.7
229.19427	3.1
231.17438	2.9
239.17944	4.1
257.19019	14.9
275.20041	100.0
276.20435	3.1
293.21124	27.1
312.67249	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03947	29.9
53.07686	5.8
55.01871	37.1
55.05505	41.6
57.03439	6.4
57.07058	12.3
67.05501	86.9
69.03425	5.8
69.07061	57.3
69.63669	42.3
71.04978	7.2
79.05502	53.9
81.03415	64.8
81.07053	100.0
83.04984	17.2
83.08624	13.4
85.06534	6.8
91.05476	73.7
93.07045	57.6
95.01336	11.1
95.04959	24.8
95.08608	70.7
97.06522	42.4
98.20736	7.3
105.07024	96.5
107.04920	33.9
107.08574	35.8
109.06506	10.1
109.10148	19.9
111.08076	11.1
117.07024	22.5
119.08592	57.2
121.06464	9.3
121.10136	19.2
123.08051	16.1
123.11678	11.2
129.07037	6.7
131.08543	28.6
133.10103	76.7
135.08070	7.9
135.11707	18.1
141.06996	9.0
145.06508	7.0
145.10118	26.2
147.11673	26.1
149.09633	13.6
149.13251	7.4
151.11099	8.4
155.08623	6.5
157.10098	6.8
159.11685	21.7
163.11156	9.8
173.13226	6.1
179.14323	24.2
187.11163	13.4
191.10535	6.8
195.13817	7.9
199.35359	5.4
209.11697	8.6
219.17389	9.5
237.11205	11.8
247.20715	6.1
270.62357	5.9
271.39914	5.3
275.20032	90.6
293.20947	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.32179	1.8
53.03947	3.9
55.01862	6.8
55.05506	26.0
57.03426	3.1
57.07078	4.6
58.78343	2.1
59.26713	1.8
65.03932	3.5
67.05507	42.0
69.03419	2.9
69.06727	3.1
69.07067	24.1
71.04996	6.7
79.05494	49.4
81.03431	6.2
81.07056	100.0
83.04974	3.8
83.08621	11.7
85.06554	3.6
88.52481	1.9
91.05478	30.4
93.07043	31.9
95.04968	23.4
95.08610	31.8
97.06534	8.7
97.10180	4.4
105.07028	38.9
107.04983	10.2
107.08601	20.9
109.06527	29.2
109.10145	17.0
111.08096	7.2
117.07005	9.9
119.08582	34.8
121.06506	2.9
121.10143	17.1
123.08070	14.7
123.11695	7.0
125.09598	3.8
129.06967	2.6
131.08548	11.5
133.10130	23.0
135.08051	6.9
135.11678	7.8
137.05991	12.9
137.09622	9.0
139.11151	2.0
145.10141	10.8
147.08109	2.2
147.11707	20.0
149.09653	11.2
149.13272	3.4
151.11189	6.9
157.10127	4.9
159.11682	6.5
161.13239	4.2
162.07422	1.9
163.11176	10.5
165.12737	3.6
173.09706	2.3
173.13240	7.2
175.11177	4.6
177.12814	2.9
187.11064	2.7
215.14320	2.1
215.17888	2.3
219.17407	2.8
221.62691	2.1
239.17918	3.6
247.20561	7.4
257.19022	9.0
257.45813	2.8
265.21716	2.7
275.16913	3.4
275.20078	63.9
276.20374	2.9
293.21075	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.07305	1.3
53.03938	3.8
55.01872	8.2
55.05511	27.3
57.03416	3.1
57.07066	2.2
57.10837	1.3
65.03926	2.4
67.05502	20.9
69.03399	3.9
69.07056	11.0
71.04983	3.4
71.51000	1.8
76.07043	1.3
79.05489	56.6
81.03398	4.6
81.07052	23.0
83.04974	6.6
83.08601	13.8
85.34862	1.3
91.05473	25.0
91.76942	1.5
93.07038	20.9
95.04974	6.4
95.08608	15.2
97.06538	9.1
97.10165	23.2
103.05524	1.6
103.47776	1.2
105.07021	33.6
107.04941	8.6
107.08585	100.0
109.06482	7.3
109.10157	10.3
111.08098	1.8
117.07024	6.0
119.07941	1.6
119.08585	16.7
121.06575	2.6
121.10152	10.5
123.08054	3.5
123.11631	2.6
125.09614	19.8
131.04884	2.3
131.08546	10.2
133.10123	20.1
135.08041	4.7
135.11674	6.6
137.09669	2.0
143.08582	2.6
143.10667	1.8
145.10115	10.7
147.11687	13.2
149.09613	18.2
151.11209	2.1
153.09155	2.4
155.08542	1.5
157.10129	4.1
159.11668	6.4
161.09615	2.9
161.13239	4.3
163.11172	3.2
171.11673	2.4
173.09642	1.6
173.11826	2.7
173.13280	4.5
175.11189	2.5
179.10710	1.7
181.12242	3.2
183.11780	2.0
185.13252	2.1
187.11240	1.8
189.11179	13.3
197.13268	2.7
229.19475	3.9
239.17958	3.9
247.20642	2.3
257.19061	9.3
267.87125	1.5
275.20044	80.0
276.20328	2.4
282.12369	1.5
293.20981	9.9
293.27597	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.63798	2.1
52.39481	2.4
53.03936	8.9
55.01865	10.2
55.05506	41.3
57.03420	5.2
57.07061	8.5
62.73361	2.6
62.87531	2.0
64.15089	2.2
65.03937	4.0
67.05499	59.7
69.03426	3.8
69.07063	34.3
69.44679	20.1
69.45004	4.1
71.04975	6.1
79.05492	49.1
81.03416	12.2
81.07050	82.1
83.04973	10.6
83.08621	26.3
85.02879	2.4
85.06524	3.4
91.05467	40.8
93.07038	38.7
95.04962	37.8
95.08602	39.2
97.06539	11.6
97.10149	13.6
98.21481	5.4
99.08083	3.0
103.05404	2.2
105.07024	41.7
106.92520	2.3
107.04988	11.1
107.08582	57.3
109.06512	22.0
109.10158	23.1
110.28088	2.2
111.04432	3.3
111.08064	8.3
117.07004	14.4
119.08578	35.1
121.06484	5.5
121.10116	21.8
123.08074	16.7
123.11686	11.9
125.09649	11.9
129.07016	3.0
131.08582	18.2
133.10121	30.1
135.08049	10.2
135.11674	8.8
137.05966	17.1
137.09601	17.0
139.11160	5.7
143.08614	5.7
145.06502	3.2
145.10133	18.1
147.08028	3.7
147.11656	22.9
149.09592	20.2
149.13261	5.9
151.11153	11.2
155.08466	2.2
157.10109	4.0
159.11682	13.6
161.09607	3.6
161.13255	4.1
163.11136	11.2
165.09109	3.6
165.12729	3.9
169.10086	2.6
171.11650	3.3
172.48184	2.3
173.13219	8.2
175.11212	3.7
177.12729	5.2
183.11700	2.8
187.11121	4.3
189.11208	7.4
191.10716	3.5
191.14297	3.1
203.12753	3.7
209.11679	5.3
213.16309	2.4
216.48450	2.4
223.13275	3.5
229.19576	5.4
233.18808	2.6
237.11159	11.6
239.17896	5.1
247.20456	3.1
257.18970	9.2
268.52557	2.5
275.16959	4.9
275.20032	100.0
276.20410	2.7
293.20999	46.1
309.03342	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31085	3.2
62.55871	3.0
65.73457	2.6
71.24165	2.6
71.50471	5.5
82.29769	2.9
85.61314	2.9
92.76168	2.7
101.00885	5.4
117.09988	3.3
119.01140	3.1
119.01901	17.4
129.43082	2.6
131.01886	6.4
143.01877	26.1
147.77057	3.1
155.01842	5.8
161.02957	56.3
161.99431	9.8
163.46672	2.5
173.02930	17.6
185.02997	3.3
191.04016	6.6
203.04044	18.3
233.05011	4.0
239.20982	2.9
263.06064	3.2
293.06229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1163
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03944	1.5
54.11869	0.6
55.01861	5.0
55.05503	1.7
60.04531	1.5
61.01146	13.6
65.41510	0.6
67.05488	1.1
69.03416	2.4
69.81582	1.1
69.82001	2.6
70.02943	1.0
71.04981	1.7
71.06114	1.3
72.04511	12.7
73.02913	2.8
78.03786	29.6
79.05478	1.2
81.03418	7.4
81.07047	1.9
83.04985	2.8
85.02901	21.1
86.06062	4.0
86.09698	1.9
91.05479	1.6
93.07048	2.4
95.08606	1.2
98.02404	2.0
98.06077	0.9
99.04446	14.6
102.03759	40.9
103.02180	4.9
103.03938	33.0
103.05389	2.9
103.07537	0.6
104.01672	1.3
105.07017	1.7
107.08575	0.8
109.02882	9.5
110.05981	0.7
112.07575	1.5
114.03752	4.9
114.05522	2.4
115.02147	1.0
115.05087	0.7
115.08703	1.0
117.07046	0.6
118.03242	1.7
119.04912	0.7
119.08555	0.8
120.04794	8.3
121.10135	1.2
123.04457	1.3
124.07542	1.0
126.05512	36.7
127.03905	12.9
131.04941	5.0
131.06378	21.0
131.07382	0.9
131.08534	0.8
132.04781	16.9
132.08118	0.8
137.05971	1.0
139.03891	1.3
140.04204	0.8
141.04408	0.7
141.06631	1.2
145.04970	0.8
145.06468	0.7
145.10104	0.8
147.04414	1.0
147.05875	2.3
149.07431	100.0
150.07899	0.7
152.07030	2.8
154.08632	4.1
156.06570	1.6
158.02748	1.1
160.07565	11.7
161.06017	0.8
163.03949	0.9
174.07599	0.6
175.05368	5.1
175.06772	0.7
175.07353	0.5
180.06540	25.9
186.05795	1.4
198.07625	7.2
201.05542	0.7
216.08662	5.1
219.02861	1.3
222.07863	1.1
231.11639	7.9
231.14789	1.2
233.09750	1.2
237.05457	1.1
257.09488	3.3
265.04971	0.8
275.10721	4.2
275.13516	0.9
293.04532	1.7
293.11636	73.6
293.18604	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	293.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01874	6.5
55.05512	4.4
56.96561	73.3
57.03452	10.9
61.02929	14.4
65.50404	2.0
67.05492	4.8
69.03423	34.1
69.07069	2.3
70.21618	2.0
70.98133	7.2
71.05001	7.9
71.50442	3.3
71.95249	3.1
72.04521	2.6
73.02917	12.5
74.97625	4.2
81.03424	13.8
81.07062	2.7
83.01340	2.3
83.04961	3.7
84.96038	21.2
85.02904	58.6
85.06528	3.1
86.09684	5.1
87.04468	8.6
88.99174	7.5
90.94846	2.8
95.05011	2.4
97.02885	34.0
97.96798	3.2
98.97580	100.0
99.04448	4.9
101.00883	3.2
102.97082	4.7
103.00695	2.5
105.02206	3.3
109.02909	8.1
110.97558	55.1
112.99139	5.5
116.98608	63.4
119.01914	16.9
121.01704	6.1
124.99156	4.2
127.00668	5.6
127.03896	15.5
128.98605	60.3
130.08699	2.8
131.00201	6.0
131.01863	10.6
133.01685	5.1
133.03479	5.7
134.99651	24.9
135.03252	4.6
135.05141	2.3
140.00131	2.3
140.98584	19.3
143.00153	17.7
143.01938	7.2
144.98071	4.4
145.01741	7.4
145.03497	5.8
145.04997	6.9
146.04999	3.6
146.99648	50.8
147.03282	4.0
147.05058	5.3
149.01262	5.2
149.02982	2.8
149.04848	5.0
149.06693	3.2
151.02715	2.3
152.04909	3.6
152.07019	2.4
152.98647	10.8
153.00803	3.2
153.55795	2.1
154.03883	2.4
155.00214	2.5
155.01938	4.6
157.01714	2.7
157.03470	4.4
158.01282	2.8
158.97496	6.2
158.99638	35.5
159.05066	4.2
161.01273	15.6
161.02933	15.3
162.99170	3.3
163.02747	8.0
163.04372	5.1
165.00699	17.8
167.05914	3.1
170.01416	3.9
170.99661	35.3
171.01067	2.8
171.05103	6.5
173.01245	4.8
173.03014	5.7
173.04868	2.4
173.97128	2.9
175.02789	4.5
175.04546	3.3
177.00726	26.6
177.04253	2.5
179.02322	3.1
182.99734	9.9
183.04208	5.2
185.03052	3.0
185.06660	2.7
187.02965	4.1
189.00691	35.7
189.04469	3.6
189.06142	10.5
190.98628	2.5
191.02335	7.7
191.03958	4.7
191.05757	4.0
192.07672	3.4
195.01897	3.4
197.02954	3.2
197.06612	3.6
201.00702	55.1
201.06094	5.5
203.03981	5.2
203.05873	4.5
203.07700	6.0
205.03908	4.9
207.01738	17.4
212.06412	5.9
212.57715	3.8
215.07730	3.7
219.01743	51.8
221.05177	7.3
223.04718	3.1
231.07359	2.9
233.03406	4.6
234.99168	6.7
237.02792	63.1
245.05182	4.6
247.02562	2.5
251.04379	64.0
255.03949	7.1
261.02982	10.2
261.08365	4.3
269.05460	33.2
274.97321	2.8
275.09885	3.0
279.04016	7.5
279.09402	3.4
291.09412	10.1
293.03046	5.0
293.05615	76.1
293.09073	13.6
295.07202	3.0
311.06555	17.0
311.49802	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	291.268
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
55.05507	7.8
57.07073	3.8
67.05511	8.5
68.84306	0.6
69.07066	27.9
71.08652	1.3
71.51324	0.9
79.05491	5.6
81.07055	19.7
83.08615	7.2
84.61539	0.7
85.06547	5.4
91.05475	3.2
93.07041	17.8
95.04994	0.9
95.08606	20.6
97.10168	2.0
99.08086	5.4
105.07043	2.9
107.08591	30.4
109.06521	2.1
109.10153	15.0
111.08097	1.4
111.11727	1.3
111.82449	0.6
113.09636	0.9
119.08587	3.4
119.29920	0.7
121.10139	17.8
123.04448	1.0
123.11710	6.1
125.13289	1.9
127.11203	2.0
133.10118	1.9
135.05365	0.7
135.11690	11.5
135.12688	0.5
137.13289	1.4
139.03891	1.1
140.03233	0.7
143.14304	1.4
147.11688	1.6
149.13260	28.3
161.13272	1.8
163.14819	100.0
164.15129	1.1
165.12753	2.3
165.16405	1.0
177.16420	3.1
181.15807	0.7
183.27797	0.7
191.16437	0.8
191.17868	3.2
205.19528	1.4
209.18977	1.0
217.19394	1.2
221.18913	1.1
234.64250	0.7
235.20580	2.0
237.05603	0.7
273.18549	0.9
273.25745	1.0
291.19907	4.1
291.23169	3.3
291.26752	23.9
292.06091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	5.3
55.01859	2.1
55.05507	17.7
57.07047	2.5
57.59682	0.9
64.59362	0.8
65.03922	1.4
67.05139	1.7
67.05498	34.4
69.07063	17.2
69.48497	0.9
69.48804	7.8
71.04984	1.0
79.05488	73.0
80.05792	1.3
81.07050	50.3
83.04974	1.8
83.08612	10.2
85.06509	2.9
91.05479	30.4
93.07038	100.0
95.04965	6.5
95.08604	29.6
97.06487	2.7
97.10157	6.2
101.06011	1.1
105.04545	1.8
105.07023	15.8
107.08585	58.8
109.06482	2.9
109.10147	13.8
111.11707	0.9
115.07531	1.2
117.07012	3.5
119.08578	15.8
121.10135	46.6
123.08060	2.6
123.11658	2.9
125.09589	1.1
129.07019	2.6
131.08566	7.4
133.10117	14.8
135.08028	2.0
135.11681	54.7
137.09587	3.1
139.03908	1.2
139.11191	1.4
143.08487	2.3
145.10107	4.9
147.11681	9.0
149.09573	2.2
149.13255	33.9
151.11143	1.3
157.10101	3.4
159.11693	5.2
161.13257	9.4
163.11168	3.1
163.14798	10.8
168.45901	0.9
171.11684	4.1
173.13336	2.2
175.11340	1.0
175.14824	4.9
177.12729	3.5
177.16258	1.4
185.13243	3.8
189.12686	1.5
195.13701	1.3
199.14792	1.6
203.14262	1.5
207.13841	1.2
212.44034	1.3
213.16418	2.7
217.15739	1.6
217.19456	1.2
221.15398	1.3
231.17519	2.0
231.21068	1.0
235.16939	2.8
241.19426	6.6
249.18509	2.2
259.20572	9.1
259.78305	1.0
291.20139	1.9
291.23157	56.5
292.23447	1.1
304.94656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01854	2.5
55.05506	10.6
55.41451	1.1
57.03426	2.0
57.07045	3.5
59.04980	3.1
67.05493	9.3
68.67052	1.1
69.03410	3.1
69.07047	4.3
69.44120	8.1
71.04974	3.2
79.05482	12.0
81.03393	1.7
81.07055	12.3
83.04960	2.5
83.08604	10.6
85.02890	1.6
85.06519	3.2
88.65719	1.1
91.05460	7.0
93.07047	14.5
95.04974	7.4
95.08605	19.9
97.06537	5.5
97.10194	1.6
98.97574	2.4
105.07024	12.5
107.04947	15.8
107.08598	12.7
109.06490	7.4
109.10139	6.7
111.04419	1.5
111.08078	41.2
117.06979	3.3
119.04967	2.2
119.08579	12.0
121.06462	3.5
121.10136	7.9
122.07257	2.4
123.04424	24.3
123.08058	33.3
123.11676	2.2
125.09608	2.9
129.06992	1.8
131.08540	8.0
133.06490	4.4
133.10109	10.3
135.04372	1.8
135.08046	9.3
135.11678	4.9
137.09608	2.9
139.03897	31.6
139.07570	1.1
142.07706	1.7
143.04935	1.2
143.08571	2.9
145.10158	6.1
147.04410	8.2
147.08043	4.5
147.11714	5.3
149.09605	7.2
149.13242	1.5
151.07533	100.0
155.10625	2.0
156.09341	1.3
157.10143	5.4
159.11617	2.4
161.05951	3.1
161.09625	3.5
161.13286	2.1
163.11197	3.6
165.05486	4.8
169.10068	1.5
169.12256	1.1
171.11690	4.5
173.01305	1.3
173.09584	1.1
173.13260	7.4
174.10382	2.3
175.11192	5.1
177.05397	1.5
177.09026	1.7
179.10643	5.8
181.12126	1.4
189.12735	27.6
191.10562	1.6
191.14323	11.1
192.11443	3.9
197.11713	13.8
197.13289	3.3
207.06581	2.9
207.13794	64.4
208.13982	1.3
211.13185	1.7
213.16338	2.1
215.14352	4.2
217.08516	1.8
217.12277	2.5
233.15341	37.8
234.15659	1.6
235.13275	2.0
249.18459	2.1
255.17415	4.3
273.18448	7.1
291.08591	3.8
291.16364	1.7
291.19522	50.9
291.22845	1.7
291.26733	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.36132	0.7
53.03920	1.2
55.01862	1.4
55.05510	4.4
57.03404	1.4
57.07073	2.5
59.04993	1.7
62.65411	0.6
63.73456	0.7
64.18909	0.7
67.05509	5.2
69.03413	2.2
69.07056	2.1
70.06606	1.0
71.04987	2.4
76.05590	0.7
79.05482	4.9
81.07056	8.7
83.04960	2.5
83.08595	3.1
84.68012	0.8
85.02895	1.1
85.06525	2.0
91.05489	5.5
93.07040	10.7
95.04945	3.8
95.08604	15.1
97.06535	3.7
105.07032	10.4
107.04962	4.2
107.08584	6.8
108.05758	0.9
109.06516	7.1
109.10146	3.8
111.04411	0.9
111.08077	24.2
117.07048	1.7
119.04937	1.4
119.07899	1.0
119.08596	7.9
121.06467	3.5
121.10159	5.7
122.07249	2.3
123.03590	1.2
123.04431	14.1
123.08066	32.5
125.09616	1.4
129.06969	1.5
130.07893	0.9
131.08562	4.4
133.06525	4.0
133.10114	6.1
135.04453	0.9
135.08035	5.4
135.11685	3.9
137.09604	5.1
139.03905	19.3
142.07732	1.3
143.08553	1.7
144.09270	1.1
145.10114	11.0
147.04399	3.7
147.08029	3.7
147.11665	5.4
149.09622	5.1
149.13260	1.0
151.07541	100.0
153.09096	1.1
155.10661	1.7
156.09340	2.0
157.10150	3.7
159.08047	1.8
159.11685	2.6
161.06007	1.1
161.09590	3.8
161.13240	2.3
163.03880	0.9
163.11188	2.7
165.05498	2.1
165.09064	1.2
171.11665	4.2
173.09630	1.5
173.13248	4.3
174.10408	1.6
175.11131	3.8
177.09103	2.4
177.12735	1.9
179.10690	4.6
181.10097	0.8
181.12251	1.3
185.13190	1.6
187.11182	3.5
187.14767	1.8
189.12743	28.5
191.10637	1.5
191.14296	5.8
192.11421	5.1
197.11725	16.1
197.13281	0.8
203.14261	2.1
205.12132	1.2
207.13799	67.0
208.14256	1.0
213.16321	2.0
215.14272	3.9
217.12244	2.4
218.09062	0.8
229.23511	2.0
231.17448	1.9
233.15385	11.8
235.13092	1.4
237.16428	1.1
255.17447	2.6
273.18488	6.2
291.19540	40.5
291.27011	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	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.70098	0.4
53.03925	0.9
55.01871	2.4
55.05505	8.4
57.03416	0.7
57.07062	0.4
60.73552	0.4
65.03896	0.4
66.62269	0.3
67.05501	5.0
69.03416	1.4
69.07057	3.5
69.60852	0.3
71.04979	1.5
75.10645	0.4
79.05487	7.9
81.03402	0.5
81.07053	6.0
83.04983	1.0
83.08612	4.2
85.06500	0.4
91.05477	8.0
93.07037	6.2
94.04131	0.5
95.04957	3.4
95.08605	3.2
97.06514	0.5
97.10168	4.3
105.07022	6.5
107.04955	3.0
107.08566	3.1
109.06489	1.3
109.10141	1.3
115.05436	0.6
117.07014	3.6
119.04926	2.3
119.08577	5.7
120.05697	0.5
121.06470	2.4
121.10127	1.4
123.04415	2.2
123.08051	0.8
125.09614	2.4
129.06982	1.6
130.07776	0.7
131.08543	3.6
133.06485	3.8
133.10127	1.6
134.07281	1.0
135.08028	1.3
135.11671	0.5
137.09639	0.5
139.03888	3.2
139.91034	0.4
143.08571	1.9
145.06400	0.6
145.10126	2.8
147.08035	4.6
147.11642	0.5
148.08800	0.4
149.09608	1.3
157.10110	1.1
159.08012	0.6
159.11688	0.8
161.09612	1.5
162.10402	1.0
163.11206	1.3
165.05405	0.5
171.11661	1.0
175.11189	1.0
185.13264	0.6
189.11221	0.8
223.13275	0.9
245.18932	0.4
249.14874	1.7
273.18454	4.3
291.19516	100.0
292.19812	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	291.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.1
69.03414	0.9
69.83676	5.0
70.06592	1.5
71.70197	1.0
76.82809	1.0
85.02876	1.8
93.80782	1.0
95.29739	0.8
97.02902	0.9
98.97576	1.7
103.00706	1.1
106.47153	1.0
119.01901	1.9
121.01691	2.3
123.04420	1.6
127.03902	0.8
129.05254	1.0
133.03465	1.3
139.03873	2.3
143.00139	1.6
145.03430	0.9
147.05086	1.8
155.01883	0.9
161.01224	1.0
161.02902	1.2
163.02769	1.7
173.02946	1.0
174.54295	0.9
189.00714	1.8
189.02400	1.4
189.06100	1.1
201.06148	1.6
206.56583	0.8
249.02869	1.4
291.10547	100.0
292.10855	1.2
309.05124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03937	1.7
55.01854	2.5
55.05506	10.6
55.41451	1.1
57.03426	2.0
57.07045	3.5
59.04980	3.1
67.05493	9.3
68.67052	1.1
69.03410	3.1
69.07047	4.3
69.44120	8.1
71.04974	3.2
79.05482	12.0
81.03393	1.7
81.07055	12.3
83.04960	2.5
83.08604	10.6
85.02890	1.6
85.06519	3.2
88.65719	1.1
91.05460	7.0
93.07047	14.5
95.04974	7.4
95.08605	19.9
97.06537	5.5
97.10194	1.6
98.97574	2.4
105.07024	12.5
107.04947	15.8
107.08598	12.7
109.06490	7.4
109.10139	6.7
111.04419	1.5
111.08078	41.2
117.06979	3.3
119.04967	2.2
119.08579	12.0
121.06462	3.5
121.10136	7.9
122.07257	2.4
123.04424	24.3
123.08058	33.3
123.11676	2.2
125.09608	2.9
129.06992	1.8
131.08540	8.0
133.06490	4.4
133.10109	10.3
135.04372	1.8
135.08046	9.3
135.11678	4.9
137.09608	2.9
139.03897	31.6
139.07570	1.1
142.07706	1.7
143.04935	1.2
143.08571	2.9
145.10158	6.1
147.04410	8.2
147.08043	4.5
147.11714	5.3
149.09605	7.2
149.13242	1.5
151.07533	100.0
155.10625	2.0
156.09341	1.3
157.10143	5.4
159.11617	2.4
161.05951	3.1
161.09625	3.5
161.13286	2.1
163.11197	3.6
165.05486	4.8
169.10068	1.5
169.12256	1.1
171.11690	4.5
173.01305	1.3
173.09584	1.1
173.13260	7.4
174.10382	2.3
175.11192	5.1
177.05397	1.5
177.09026	1.7
179.10643	5.8
181.12126	1.4
189.12735	27.6
191.10562	1.6
191.14323	11.1
192.11443	3.9
197.11713	13.8
197.13289	3.3
207.06581	2.9
207.13794	64.4
208.13982	1.3
211.13185	1.7
213.16338	2.1
215.14352	4.2
217.08516	1.8
217.12277	2.5
233.15341	37.8
234.15659	1.6
235.13275	2.0
249.18459	2.1
255.17415	4.3
273.18448	7.1
291.08591	3.8
291.16364	1.7
291.19522	50.9
291.22845	1.7
291.26733	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	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03959	0.5
55.01873	1.8
55.05522	0.6
56.96555	1.2
65.03925	1.0
67.05500	1.9
68.99784	1.7
69.03425	0.9
69.07066	1.3
69.66947	2.5
77.03898	0.7
79.05499	0.5
81.03419	1.8
81.07050	0.8
83.04967	1.0
85.02885	1.8
91.05470	2.5
93.03409	1.0
93.07063	0.6
95.04971	3.1
95.08625	0.5
97.02882	0.5
98.97582	4.0
99.04449	0.5
105.03381	0.9
105.07037	0.9
107.04932	1.0
107.08567	1.0
109.02892	1.0
109.10175	0.5
111.04429	4.2
115.05431	1.5
116.98613	2.4
119.04942	6.3
121.02897	0.4
123.04423	67.0
124.04743	1.0
127.03901	1.5
129.12735	0.5
131.04955	0.7
131.08551	0.5
133.06505	1.3
134.99625	0.7
135.04414	1.2
137.02405	0.9
137.05983	1.0
139.03896	100.0
140.04233	1.7
143.04895	3.4
147.04401	22.9
151.03925	2.7
151.07530	0.7
151.11078	0.5
153.05495	0.6
161.01257	0.8
161.05980	7.4
163.03935	2.4
163.07561	0.5
165.05478	15.6
169.04927	1.8
170.99591	0.5
171.04417	0.5
175.07506	0.5
177.05484	1.0
179.07004	3.1
181.04974	0.7
187.98154	0.3
189.00690	0.9
189.05428	2.2
201.00699	0.7
207.06528	6.9
219.01735	0.7
249.02777	0.7
249.07639	1.7
255.06465	0.6
273.07697	1.6
273.12100	0.6
273.14835	0.4
291.08627	5.5
291.13315	0.9
291.16037	0.7
291.19318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.43176	0.3
55.01870	0.8
59.63663	0.4
60.12405	0.4
64.75735	0.4
65.03929	0.9
67.05502	0.5
68.99776	1.9
70.69721	0.6
70.70107	0.6
77.03905	0.5
83.04970	1.2
91.05473	1.4
93.03399	1.2
95.04945	2.8
97.02864	0.5
105.03388	0.6
111.04468	2.2
115.05429	0.9
119.04943	5.7
123.04423	63.9
124.04746	0.6
127.03884	1.3
133.06459	1.0
135.04369	0.5
137.02309	0.5
137.05940	0.5
139.03893	100.0
140.04243	1.3
143.04904	2.5
147.04401	21.1
151.03888	2.6
153.05516	0.4
157.55873	0.4
161.05968	7.6
163.03860	2.4
165.05467	14.6
169.04942	1.7
177.05547	0.9
179.07022	3.5
181.04924	1.2
182.20982	0.4
189.05479	1.6
203.07251	0.5
207.06519	7.5
208.86766	0.4
208.99304	0.5
249.07587	1.4
273.07547	0.9
291.08615	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.80693	0.4
53.03936	0.6
55.01867	2.0
55.05498	1.0
56.96564	0.6
57.03431	0.4
65.03922	1.2
67.01842	0.4
67.05506	2.9
68.99787	1.5
69.03416	1.6
69.07071	2.1
69.75220	2.4
79.05499	1.2
81.03402	1.7
81.07048	1.9
83.05002	2.0
85.02904	1.3
85.06534	0.4
91.05482	3.5
93.03383	1.1
93.07036	1.6
94.43571	0.4
95.04971	3.5
95.08583	1.5
97.02879	0.5
97.10159	0.7
98.97552	1.2
105.03389	1.0
105.07028	2.0
107.04919	0.7
107.08575	1.6
109.02885	0.9
109.06519	0.8
109.10139	0.8
111.04419	3.7
111.08064	0.5
115.05440	1.6
116.98599	0.8
117.06989	0.6
119.04929	6.3
119.08584	1.6
121.02859	0.5
121.10133	1.2
123.04427	65.5
124.04784	0.8
127.03895	1.5
131.04941	0.7
131.08566	0.6
133.06526	1.2
133.10124	1.2
135.04379	0.8
135.08020	0.7
137.02312	1.1
137.05971	0.7
137.09521	0.5
139.03899	100.0
140.04285	0.8
143.04942	2.9
147.04405	22.2
147.11641	0.5
149.06004	0.5
151.03857	2.1
153.05450	1.0
158.99585	0.4
159.11722	0.8
161.05981	7.5
163.03906	1.7
163.11273	0.5
165.05473	14.1
169.04921	1.4
171.11629	0.6
175.54221	0.4
177.05431	1.2
179.06999	3.1
181.04918	0.9
189.05418	2.0
199.14929	0.5
207.06509	7.2
249.07603	1.4
261.07724	0.5
268.22598	0.4
273.07614	1.5
273.18427	0.7
283.02356	0.4
291.08765	4.8
291.11945	0.5
291.16547	0.4
291.19528	2.0
291.22775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.1
55.01858	3.0
55.05504	6.3
56.96561	66.1
57.03414	4.3
57.07058	2.5
58.06607	2.7
58.81670	1.8
59.87751	1.7
61.02916	6.5
67.05495	8.6
69.03431	13.0
69.07043	2.7
70.06571	4.0
71.04980	3.8
71.50187	2.1
71.95246	2.0
72.08144	3.7
73.02905	6.5
74.97598	2.1
79.05493	2.9
81.03412	7.8
81.07040	2.8
83.01346	2.4
83.04978	4.8
84.96033	8.6
85.02907	18.6
86.06062	2.4
87.04490	3.2
88.60016	2.0
91.05468	4.3
93.07038	3.9
95.04958	6.0
95.08603	2.2
97.02886	16.3
98.97579	100.0
99.04465	3.3
105.07018	2.7
107.04954	3.1
107.08609	1.9
109.02885	3.8
109.06470	2.2
110.97581	8.9
111.04401	4.2
115.00655	2.7
116.98617	81.9
119.01907	7.3
119.04942	5.8
119.08565	3.0
123.04429	37.1
124.99087	3.9
126.12768	3.1
127.03897	9.7
128.98605	21.0
129.05487	5.4
129.06549	4.0
131.00169	5.2
131.01894	4.2
133.01711	2.4
134.98654	3.4
134.99663	51.3
136.06143	3.7
137.03011	2.1
137.04933	1.9
137.06015	6.0
139.03900	59.7
140.00171	2.9
143.00160	14.3
143.01820	2.6
144.13809	5.7
144.98067	2.2
145.01788	3.8
145.03445	2.5
146.99666	18.5
147.03262	5.0
147.04417	13.9
149.01230	6.0
151.03928	2.7
152.05067	2.4
153.00681	5.6
153.01854	5.6
155.04663	3.2
158.01205	2.5
158.99680	23.4
161.01224	26.6
161.02922	6.2
161.04657	1.8
161.05994	6.3
162.99168	4.6
163.02701	5.4
163.03909	3.7
165.00795	4.0
165.04283	3.0
165.05482	7.7
167.00099	2.1
170.99646	8.2
173.01257	2.9
173.02953	4.2
175.02704	2.5
175.04340	3.8
177.00708	49.1
177.04182	2.9
179.02232	5.1
185.01251	4.6
185.06760	2.3
189.00713	15.4
189.02295	3.0
189.04192	10.3
191.02208	3.2
193.03773	3.9
195.01775	5.1
200.02332	6.3
201.00667	3.4
201.02399	2.1
203.02133	5.0
203.04018	2.8
207.01833	3.2
207.05226	2.6
207.06815	2.3
210.06563	2.9
212.02214	2.5
213.00667	3.9
219.01775	17.3
221.03207	2.7
221.05212	4.3
223.01241	5.3
223.05103	2.4
227.06653	3.2
231.01747	7.9
231.05319	4.2
237.02809	34.1
248.99139	5.5
249.02727	10.4
249.06354	2.8
255.03908	4.9
260.04272	2.7
261.02945	2.8
263.00824	1.9
267.00226	4.1
267.03986	4.9
271.06622	3.0
273.07675	2.0
285.04944	2.3
291.01147	3.2
291.04050	8.2
291.08173	17.2
291.13025	2.6
291.19403	7.1
309.04932	11.3
309.08563	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.9
63.78433	1.0
69.03404	1.0
70.06603	1.1
71.49084	1.4
84.13181	0.9
85.02907	1.9
97.02899	1.5
98.67312	1.0
98.97588	3.1
101.00882	1.4
103.00616	1.2
103.92881	1.2
105.57156	1.1
107.83610	1.0
119.01951	2.5
121.01694	2.0
123.04455	3.5
127.03913	1.3
128.07059	1.3
131.01894	1.1
133.87598	1.2
139.03929	4.3
143.00188	2.0
143.01976	1.3
145.03397	1.0
147.05037	1.3
161.01231	1.4
163.02829	1.6
170.99623	1.8
175.04500	1.0
189.00790	2.2
189.02477	1.3
189.06113	1.6
201.06213	1.4
291.10568	100.0
309.04944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	100.0
56.96832	3.4
58.33031	1.0
69.69852	1.7
69.70261	4.5
71.95235	2.8
74.97565	1.8
77.00873	1.1
82.99804	1.2
84.96014	7.6
97.01362	1.2
97.02870	1.9
98.21433	1.6
98.97578	56.2
101.00877	9.6
103.02375	2.4
111.02156	1.0
112.99063	3.2
113.00839	1.3
115.02444	5.9
116.98616	34.3
119.01920	31.2
122.79485	1.1
123.01154	1.6
124.99111	30.9
127.00587	4.4
127.02372	1.8
128.98544	2.1
129.52296	1.2
131.00067	4.6
131.01886	7.3
132.02614	2.4
133.03456	29.7
134.33739	1.0
134.98697	0.9
134.99660	16.1
135.53522	1.0
137.02959	7.1
138.02554	1.2
139.00591	2.5
139.03398	1.3
140.00125	1.3
141.02245	5.0
142.01079	2.3
143.00151	77.8
143.01773	6.6
145.01616	2.8
145.03445	14.6
147.01268	2.8
147.04961	2.2
149.01099	1.6
151.00639	1.2
151.04485	8.7
152.98584	8.9
153.00633	1.7
155.01767	2.3
157.01668	2.5
157.03453	6.6
158.01241	1.1
158.99634	2.0
159.01221	1.7
159.03278	9.1
160.02145	2.3
161.01111	59.9
161.02805	13.0
166.01669	3.1
167.00078	4.9
168.98044	1.2
169.01741	9.8
169.03172	2.3
170.99644	36.2
173.01486	1.5
173.02940	9.5
175.04520	8.4
177.00735	1.8
177.02281	1.8
177.04279	1.6
179.02269	5.3
184.02673	1.6
185.01236	27.2
185.02844	5.6
186.98984	3.8
187.02649	13.2
187.04393	4.0
189.00713	61.2
189.02325	2.9
191.02446	1.2
191.04031	9.6
194.01244	1.5
194.99545	3.4
196.02177	1.6
201.00636	3.7
201.02327	14.4
203.02116	30.1
203.03935	11.0
205.00157	8.1
205.03690	2.3
205.05406	1.2
207.01765	8.8
209.04956	2.2
212.02240	2.2
213.00700	25.7
215.04024	2.2
219.03513	43.7
221.03128	3.5
221.05006	2.8
223.01083	1.2
225.45132	1.1
226.03357	1.3
231.01727	41.4
231.03931	2.5
233.04964	1.7
235.02853	1.5
237.04465	2.2
239.06004	1.9
242.04916	3.9
245.02834	1.9
245.05330	8.7
247.01300	5.0
249.02760	44.1
254.03337	1.5
263.03952	4.0
263.06000	5.4
265.02124	1.3
267.03793	28.3
272.04199	1.5
273.02664	11.4
285.04932	15.6
291.03644	42.1
309.04843	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.88220	0.9
53.03936	3.0
53.18749	0.9
55.05268	1.3
55.05511	15.0
56.70218	0.9
57.07082	5.5
65.03939	2.7
67.05505	19.5
68.99765	1.0
69.07065	30.8
69.34357	9.0
70.89462	0.9
71.04982	1.9
71.08643	0.9
71.19666	0.8
75.10706	0.8
79.05492	22.1
81.07054	92.2
82.07385	1.3
83.08614	13.8
85.06548	7.1
86.90437	0.9
91.05471	11.7
93.03403	1.6
93.07040	24.1
95.04964	2.6
95.08604	59.4
97.06512	3.2
97.10167	5.7
99.08102	10.2
105.06315	1.4
105.07027	30.1
107.08591	34.6
109.02840	1.0
109.06503	1.7
109.10152	39.1
110.10519	0.9
111.04443	3.3
111.08060	3.0
111.11724	0.9
113.09634	2.4
117.06988	3.6
119.08579	45.1
121.10138	34.9
123.04433	7.4
123.08058	1.8
123.11702	27.0
125.09641	4.7
127.03891	2.5
129.07065	1.4
129.54080	0.9
131.08560	8.8
133.10120	24.9
135.04408	14.3
135.11696	20.6
137.09604	2.2
137.13232	8.2
139.03905	6.7
141.12730	2.0
143.08661	0.9
144.09265	1.1
145.10110	18.0
147.11678	31.4
149.02342	1.5
149.13257	19.3
151.03885	2.1
151.11162	3.6
151.14847	1.8
157.10133	1.3
157.72916	1.0
159.10345	0.9
159.11685	22.3
160.12410	1.8
161.13249	23.1
163.03889	1.8
163.14824	18.0
165.12746	2.8
167.14368	1.1
171.11688	1.7
173.13251	15.1
175.14821	26.2
177.16383	5.6
179.14279	4.9
185.05812	1.0
187.14832	8.2
188.15572	1.9
189.16382	34.6
190.17084	5.9
191.14265	1.3
191.17953	25.0
193.15863	2.5
201.16379	11.7
203.17973	8.5
207.17395	1.6
214.17145	1.2
215.17923	9.7
217.19537	2.2
219.17482	3.4
225.09100	1.4
229.19496	6.0
233.18939	2.5
243.21010	6.5
245.22658	22.2
247.20612	2.7
253.08458	1.8
259.05798	1.7
261.07434	1.0
271.09714	1.0
271.21097	1.7
271.24191	16.7
289.06989	1.5
289.10657	1.0
289.25244	100.0
290.25610	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03939	2.3
55.01891	1.4
55.05509	13.8
57.07075	11.6
62.49507	1.2
65.03912	3.4
67.05189	1.7
67.05506	21.9
67.17572	1.4
69.03436	1.7
69.07068	22.4
69.45807	8.0
69.46231	3.2
71.04981	2.7
79.05487	21.4
81.07055	69.8
83.08606	8.1
85.06529	4.9
88.79967	1.3
89.03911	1.4
91.05464	12.6
93.03427	1.5
93.07043	25.7
95.04941	1.7
95.08604	52.0
97.06504	4.6
97.10181	7.3
98.20745	2.8
99.08097	10.3
101.47512	1.3
105.07036	29.2
106.05598	1.4
107.04952	2.0
107.08593	39.4
109.10152	42.2
110.06062	1.4
111.04458	7.6
111.05171	1.2
111.08080	4.5
111.11724	2.0
113.95254	1.4
116.87856	1.5
117.07014	3.3
119.08579	38.2
121.10142	30.4
123.04430	12.7
123.08041	2.1
123.11704	23.5
124.27041	1.5
125.09610	3.6
127.03866	4.3
127.11136	2.1
129.07002	3.3
131.08563	11.9
133.10124	27.6
135.04413	23.7
135.08008	1.4
135.11682	22.2
137.09576	1.5
137.13229	9.1
139.03885	13.6
139.11140	1.4
145.10089	15.6
147.11678	31.0
149.02354	1.9
149.13252	17.8
151.03871	4.4
151.11211	3.8
151.14870	1.5
152.15460	1.2
153.01860	2.1
159.11687	18.7
161.13255	19.2
163.03889	4.6
163.14772	13.8
165.12750	2.1
173.13228	13.7
175.14833	22.8
177.16376	4.6
179.14302	5.1
187.14835	14.0
189.16389	27.7
190.17149	2.8
191.17938	19.4
201.16393	11.8
203.17975	10.2
205.15758	1.6
215.17976	12.1
219.17459	3.9
229.19612	7.6
229.21490	1.7
231.06564	1.6
233.19096	2.8
243.21103	6.8
245.22636	28.0
250.91913	1.4
259.06018	2.2
261.07608	2.8
271.24200	21.8
289.07166	2.5
289.10764	1.3
289.25244	100.0
290.25513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03936	1.8
55.05512	12.1
57.07068	7.9
58.87277	0.8
65.03925	1.7
65.41762	0.9
65.60275	0.9
66.98997	1.0
67.05505	15.2
68.94483	0.9
69.03405	1.1
69.07065	24.4
70.75404	3.2
71.04969	1.0
71.08623	1.2
79.05491	24.8
81.07053	84.3
83.08616	10.2
85.06556	5.2
91.05470	9.3
93.07041	23.7
95.04973	1.4
95.08603	49.9
97.06532	4.2
97.10154	4.7
99.08097	9.4
100.37786	0.9
105.07020	28.6
105.07700	1.9
107.08586	32.0
109.10149	35.3
111.04406	2.4
111.08069	4.8
111.11703	1.3
113.09654	1.8
117.07026	2.7
119.08581	34.6
121.10139	29.0
123.04430	5.1
123.08022	1.4
123.11699	21.8
125.09629	4.2
127.03949	1.9
129.06970	1.5
131.08575	9.2
133.10120	22.8
135.04417	10.1
135.11703	17.2
137.13226	8.8
139.03920	4.9
139.11200	2.6
145.10114	16.1
147.11673	32.1
149.13255	17.5
151.03925	1.9
151.11156	3.6
151.14789	2.1
153.12619	1.7
157.10165	1.5
158.11035	1.1
159.11679	19.0
160.12434	2.0
161.13239	19.6
163.03940	1.3
163.14819	14.4
165.12770	2.8
173.13274	15.2
175.14812	30.0
177.16400	5.2
179.14365	2.8
187.14784	11.0
188.15604	2.0
189.16379	43.9
190.17125	8.8
191.14394	1.7
191.17941	35.2
193.15863	2.1
201.16399	12.2
203.17873	8.0
205.15828	1.4
207.17497	1.8
215.17992	9.0
217.19408	3.1
219.17459	4.3
229.19528	5.5
231.06427	1.0
233.18999	3.8
243.21069	6.5
245.08443	1.2
245.22643	27.6
256.54617	1.2
271.24164	14.6
289.25241	100.0
290.25656	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	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.44094	2.1
53.03935	2.7
53.85730	1.5
55.05511	22.1
57.03426	1.9
57.07060	3.6
63.30399	1.5
65.03951	4.0
67.05502	39.7
69.07068	22.2
69.24556	18.0
71.04990	3.4
79.05487	15.0
81.03461	1.7
81.07056	75.6
83.08613	10.6
85.06544	11.5
91.05498	14.5
93.07043	35.6
95.04961	2.4
95.08602	75.6
97.06509	6.4
97.10150	7.0
99.08084	5.0
105.07032	41.5
107.08586	52.9
109.10156	58.1
111.04443	7.9
111.08055	9.3
111.11704	2.7
117.06998	4.3
119.08576	49.3
121.10143	34.3
123.04434	14.1
123.11695	22.5
125.09621	5.6
127.03912	4.0
131.08569	9.8
133.10133	31.3
135.04411	29.3
135.11684	27.8
137.13249	6.8
139.03885	12.0
145.10124	15.8
147.11676	31.4
149.02339	3.1
149.13255	25.5
151.03908	5.7
159.11700	13.8
161.13249	31.6
163.03888	3.1
163.14806	19.5
165.12775	2.4
173.13275	16.0
175.14803	26.0
177.16408	4.5
179.14310	9.4
185.03404	2.0
187.14772	9.8
189.16383	16.1
191.17958	5.0
193.15927	11.5
201.16364	8.7
203.17917	15.5
207.17458	9.7
215.17970	9.4
217.19502	5.6
219.17419	6.7
229.19585	5.1
231.06500	4.3
233.19128	3.3
243.21147	3.8
245.22623	10.7
259.06027	2.6
271.24210	24.4
272.60434	2.0
289.06906	3.1
289.18314	3.1
289.25235	100.0
290.25601	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.37888	1.7
51.12737	1.6
53.03934	2.7
55.01856	3.0
55.05513	18.7
57.07081	8.9
61.53933	1.8
65.03924	6.5
67.05507	34.8
68.99783	2.3
69.07071	29.6
71.04991	11.1
71.08641	1.9
71.51714	3.1
71.52109	2.0
79.05495	20.7
81.03392	4.5
81.07056	100.0
83.04959	3.2
83.08611	14.2
85.06528	2.3
89.03907	2.7
91.05470	15.9
93.03386	3.7
93.07037	41.3
95.04940	5.3
95.08609	91.8
96.08958	2.3
97.06522	8.0
97.10160	7.1
99.04483	1.9
99.08096	2.5
103.05365	1.8
105.03416	2.5
105.07027	29.0
107.04935	6.0
107.08591	52.2
109.06502	6.1
109.10158	67.0
111.04429	20.1
111.08080	2.2
111.11707	3.8
117.03381	2.4
117.06989	4.9
119.08578	37.6
121.06528	1.8
121.09330	2.9
121.10143	31.9
123.04427	29.2
123.08047	4.3
123.11702	41.1
125.09606	8.1
127.03912	9.0
127.11181	2.3
131.04930	2.2
131.08575	10.0
133.10129	18.4
135.04416	67.7
135.08015	2.9
135.11705	22.9
136.04761	3.0
137.02333	3.1
137.09601	2.6
137.13229	10.7
139.03906	30.9
141.12778	1.9
145.10159	14.3
147.11711	23.9
149.02315	6.9
149.09630	2.7
149.13243	24.0
151.03868	10.7
151.11189	5.6
153.12633	2.1
159.11723	15.0
161.13261	22.2
163.03871	10.0
163.11153	3.5
163.14839	11.4
165.12753	5.6
168.03764	1.9
173.13220	10.7
175.14839	15.4
177.16322	9.7
179.14281	8.0
182.87714	1.7
187.14851	9.5
189.16466	11.8
190.17117	5.2
191.14325	2.9
191.17920	5.6
192.48203	1.7
197.05991	2.0
199.07397	2.3
201.16364	7.9
203.17950	12.5
205.15869	2.3
215.17928	7.0
217.19571	4.1
225.09175	2.5
229.19412	4.9
231.06456	4.0
231.20906	2.2
243.21106	2.3
259.06000	5.2
261.07608	2.9
271.06067	4.3
271.24167	44.1
289.06964	4.7
289.18039	4.8
289.21637	6.6
289.25220	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2517
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03931	2.3
55.05515	15.0
56.05021	8.5
57.03429	3.0
57.07072	14.2
58.07411	3.2
67.05505	24.0
69.03429	4.5
69.07076	24.8
70.72853	5.9
71.08610	4.5
74.06081	13.5
75.06384	2.3
79.05486	24.0
81.07050	84.9
83.08606	9.8
85.06507	2.4
85.10168	2.3
88.07620	43.2
89.07951	7.2
91.05474	10.1
93.07042	27.9
95.04942	3.3
95.08602	52.5
97.06519	4.1
97.10120	3.4
105.07027	34.8
107.08585	60.1
109.06503	6.4
109.10152	30.4
117.07009	4.4
118.08717	3.7
119.08578	39.7
120.06596	3.2
121.10181	25.5
122.08142	4.4
123.08043	5.7
123.11680	20.9
125.09638	30.1
131.08583	10.8
133.10147	22.5
135.04417	4.7
135.11700	18.7
137.13219	5.3
139.03885	2.7
145.10121	15.2
147.11681	33.6
149.13278	11.3
151.11188	18.1
159.11671	18.2
160.12582	2.3
161.13271	20.3
163.14844	4.4
165.12807	3.5
173.13216	13.5
175.14815	33.6
177.16423	4.4
179.12959	2.4
179.14294	13.1
183.05492	2.9
184.05731	3.9
185.06064	4.0
187.14790	13.1
189.16360	38.9
189.17938	3.4
190.17140	22.3
191.18037	5.2
201.16362	13.8
203.17947	10.5
215.17889	8.2
229.19429	4.9
242.24706	21.5
243.25037	13.3
244.16930	2.2
245.22707	5.2
257.00101	2.7
271.17023	2.3
271.24213	39.5
289.12564	4.1
289.17950	9.6
289.25516	100.0
289.29166	8.8
290.26898	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.64508	2.7
52.67302	2.4
52.90324	2.7
55.05505	22.2
55.81659	2.7
57.07070	7.1
65.03992	3.1
67.05500	26.2
68.67056	2.8
69.07065	62.6
71.04996	4.2
71.08620	3.5
71.39797	3.1
71.52693	4.1
79.05487	16.5
81.06600	5.4
81.07051	69.0
83.08615	19.8
84.87283	2.7
91.05476	18.4
93.07040	33.1
95.08603	71.3
97.06519	4.7
97.10172	11.7
105.07034	57.4
107.08588	42.5
107.24203	2.9
109.10160	50.9
111.11684	11.0
111.80533	2.9
117.07001	6.0
117.19169	3.1
119.08568	54.8
121.10150	31.3
123.04414	4.7
123.08059	4.0
123.11704	15.6
125.09636	5.1
127.03922	8.1
131.08571	19.5
133.10114	42.9
135.04375	6.1
135.11667	25.9
137.13231	7.3
139.03918	4.8
145.10136	26.1
147.11670	42.9
149.13242	31.4
151.03812	4.0
151.14810	5.3
159.11665	24.1
161.13246	46.9
163.03773	3.5
163.14804	14.2
165.12756	18.7
171.11667	3.9
173.13240	21.7
175.14827	18.6
177.16376	13.3
179.14299	50.6
185.13254	4.1
187.14821	13.2
189.16394	10.8
191.17845	4.2
199.14769	3.2
201.16383	13.5
203.17911	5.7
207.17455	10.4
213.16284	3.7
215.17992	22.4
219.17461	7.9
229.19409	5.3
231.21204	5.1
233.19060	4.2
243.20952	6.1
245.22652	3.5
271.24203	50.8
272.24167	3.5
289.22070	4.4
289.25241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.41922	3.3
55.05514	22.3
57.03431	4.0
57.07065	5.3
67.05501	21.6
69.07067	44.8
70.70943	4.3
70.71281	5.6
79.05490	22.2
81.07058	69.3
83.08623	16.7
91.05454	14.9
93.07039	31.1
95.08603	46.9
97.06500	3.6
97.10158	5.8
105.07034	39.7
107.08594	100.0
109.06526	3.5
109.10157	37.0
115.71653	3.1
117.06982	4.6
119.08569	56.1
121.10154	35.8
123.08062	15.5
123.11706	24.4
125.09622	37.3
126.84362	3.6
131.08553	8.2
133.10150	26.6
135.11673	21.1
137.13231	7.7
145.10115	16.9
147.11673	45.5
149.13248	13.1
150.62311	3.3
159.11678	16.5
161.13261	62.7
163.14801	11.8
165.12764	12.3
173.13257	8.4
175.14809	21.2
177.12836	4.3
177.16383	6.6
179.14310	52.3
187.14763	5.3
189.16380	14.4
191.17921	4.9
201.16414	14.0
203.17946	10.1
207.17377	4.2
214.60168	4.2
215.17944	15.3
217.19435	4.5
229.19481	4.6
234.89653	3.4
245.22266	3.5
271.24228	47.6
289.25262	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01852	2.7
55.05495	1.6
57.74887	1.0
65.03916	4.3
67.01854	6.6
67.05493	4.1
68.99776	6.5
69.03416	4.1
69.07043	3.3
69.37881	9.5
71.04980	1.7
76.59999	1.1
78.42652	1.1
79.05489	6.1
81.03399	7.9
81.07054	12.7
83.01379	1.3
83.04958	4.5
85.06518	3.3
89.03915	5.7
91.05479	9.0
93.03365	3.8
93.07040	14.0
95.04948	8.7
95.08578	7.6
97.02903	1.7
97.06525	6.5
98.21542	1.9
99.04432	4.2
105.07030	11.8
107.04942	10.3
107.08574	8.1
109.02859	4.6
109.06519	5.7
109.10155	1.5
111.00786	2.2
111.04445	13.9
111.08041	3.7
115.05472	1.7
117.03380	7.5
117.07045	1.6
119.04916	2.5
119.08574	6.2
121.02838	6.1
121.06487	18.0
121.10089	2.2
123.04418	23.0
123.08068	1.3
123.11664	1.8
124.07577	1.5
124.68247	1.3
125.05992	1.9
127.03901	6.5
127.07605	2.0
129.07005	1.2
131.04913	3.7
131.08546	2.6
133.10129	4.7
133.12125	1.1
135.04407	54.9
135.08002	2.7
137.02321	2.5
137.05988	3.5
139.03896	19.5
139.07558	4.5
141.06993	4.5
143.07024	1.4
143.08513	1.8
145.02817	6.2
145.06453	2.7
145.10123	2.2
147.08110	2.7
147.09149	1.7
147.11687	9.3
149.02333	24.7
149.05893	2.1
151.03867	7.3
151.11206	4.1
153.01820	100.0
154.02103	2.8
156.09358	1.1
157.06490	1.7
157.08676	2.1
157.10123	3.1
159.04387	2.3
159.08038	1.7
161.06027	1.3
161.13248	2.9
163.03894	39.5
163.07530	1.7
164.04276	1.2
165.12746	3.5
169.06476	11.7
169.12325	1.7
171.02869	15.0
171.11731	2.9
173.05995	2.7
175.08707	1.7
175.11197	5.4
175.57314	1.1
179.03381	5.1
181.06464	1.3
185.05943	2.0
187.03888	4.0
187.07558	2.1
189.12744	3.8
191.08186	3.0
193.12267	6.7
197.05989	6.2
199.11140	4.9
207.13876	3.3
211.13322	4.1
213.05540	2.5
215.07016	28.5
217.12196	18.1
225.05429	2.1
229.04953	1.5
229.14314	2.0
231.06502	2.1
235.13249	13.2
241.04836	1.7
243.06541	30.8
244.06831	1.2
247.05908	1.2
253.14310	6.2
259.06015	4.7
261.07562	3.8
265.42465	1.3
271.05975	14.0
289.07040	51.6
289.11880	4.0
290.07361	2.5
290.10245	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01868	1.4
55.05502	1.8
65.03921	4.0
67.01881	5.0
67.05491	4.0
68.99786	6.2
69.03413	3.2
69.07085	1.7
69.57101	4.5
69.57509	2.2
71.04978	1.6
78.83318	0.8
79.05490	5.6
81.03417	5.0
81.07050	10.1
83.04959	3.4
83.08615	1.5
85.02880	1.1
85.06535	1.6
89.03915	5.0
91.05478	6.2
93.03399	2.9
93.07030	8.6
95.04958	4.8
95.08588	4.2
97.06520	4.0
98.21497	1.9
99.04446	3.1
105.07024	8.9
107.04959	9.9
107.08584	7.9
109.02871	1.7
109.06527	5.5
109.10155	1.6
111.00773	1.9
111.04444	12.1
111.08060	3.4
117.03371	5.5
117.05395	0.8
117.06991	1.7
119.04955	2.2
119.08572	3.7
121.02860	4.3
121.06505	14.4
121.10151	3.0
122.14270	1.0
123.04427	22.7
123.08044	1.6
123.11669	1.6
125.06006	1.8
127.03905	7.4
127.07540	1.1
128.06277	1.1
129.06960	1.9
131.04887	3.1
131.08543	1.6
133.06470	0.9
133.10133	3.0
135.04410	51.3
135.08067	2.7
136.04779	1.5
137.02342	3.2
137.05971	2.4
139.03899	20.9
139.07513	4.6
141.06995	3.1
143.07053	1.2
143.08565	1.4
145.02875	4.5
145.06483	2.1
145.10110	2.0
147.04370	1.0
147.08054	2.2
147.09154	1.3
147.11665	7.4
149.02344	23.7
149.05991	1.8
150.03052	1.4
151.03896	8.3
151.11177	3.7
153.01823	100.0
154.02126	2.0
157.06474	1.6
157.08633	2.1
157.10124	3.1
159.04390	3.0
159.08064	1.7
161.05963	1.8
161.13275	1.5
163.03897	42.2
164.04314	1.4
165.12790	2.7
167.03316	1.2
168.17741	0.9
169.06493	10.0
169.12210	1.5
171.02888	13.7
171.08057	1.5
171.11671	1.9
173.06000	2.4
175.08725	1.7
175.11140	4.9
177.05496	2.1
179.03378	5.1
187.03934	3.4
187.07588	1.6
189.12733	3.8
191.08174	1.4
193.12254	4.6
197.05934	5.9
199.11107	3.4
201.05470	2.4
205.05005	1.7
207.13791	2.6
211.13298	4.6
215.07039	23.8
216.07343	2.0
217.12225	14.8
225.05547	1.5
229.14275	1.3
231.06593	2.8
235.13254	12.6
243.06540	26.6
253.14337	4.4
259.06033	3.1
261.07578	3.5
271.06000	12.7
289.07071	51.4
289.11865	4.5
289.14764	1.7
289.17889	1.8
290.07358	2.3
290.10272	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	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.01849	0.3
57.03427	0.6
57.52760	0.3
57.65285	0.3
59.04963	0.3
61.02910	1.3
61.55067	0.4
67.05503	0.5
68.99784	0.5
69.03415	1.8
71.04980	0.5
71.31039	0.7
73.02923	0.5
75.59658	0.3
81.03407	1.2
81.07063	0.4
85.02384	0.4
85.02895	5.3
88.16639	0.3
91.03941	0.5
91.05451	0.5
97.02873	1.5
101.51333	0.4
109.02849	1.2
111.04441	0.8
117.63277	0.3
123.04414	3.2
127.03904	100.0
128.04221	0.9
129.14238	0.4
135.04396	4.5
138.26730	0.3
139.03900	2.2
145.04947	0.6
149.02293	0.5
151.03894	1.1
163.03886	0.8
194.90207	0.3
205.05026	0.4
259.06064	0.6
261.07761	0.3
271.06015	0.5
289.03552	0.7
289.07037	0.7
289.12619	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	289.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66468	0.9
53.03929	1.4
55.01867	2.7
55.05515	6.8
57.03422	1.7
57.07058	4.7
58.57784	0.9
59.52289	1.0
60.31400	1.0
60.31699	1.0
65.03938	7.9
67.05499	13.4
68.99783	3.0
69.03403	3.6
69.07074	8.5
69.63860	2.0
69.64268	5.3
71.04975	2.0
71.84071	0.8
79.05490	8.9
81.03394	4.1
81.07056	21.7
83.04972	2.6
83.08602	4.5
85.06522	2.8
89.03892	2.2
91.05478	100.0
92.05812	1.2
93.03384	4.5
93.07040	14.4
94.16976	1.1
95.04981	6.3
95.08604	15.3
95.15961	0.9
97.02877	1.3
97.06512	2.5
97.10160	2.2
98.21571	1.2
99.04404	1.0
99.08082	1.2
103.05471	1.9
105.03354	1.2
105.07021	13.0
107.04960	7.9
107.08597	16.5
109.02878	7.0
109.06504	3.6
109.10156	17.4
111.00805	0.9
111.04440	21.3
111.05178	0.7
111.08086	2.6
117.03423	1.5
117.07008	3.0
117.23676	1.1
119.08572	13.2
121.02829	2.4
121.06476	2.6
121.10143	9.3
123.04430	33.2
123.11681	6.5
125.09636	2.0
127.03911	12.0
127.11161	1.5
129.06975	3.1
131.04903	2.9
131.08563	4.1
133.06516	1.6
133.10112	6.8
135.04408	70.5
135.08075	1.5
135.11687	8.4
137.02298	4.2
137.05954	3.4
137.09550	1.2
137.13248	1.3
139.03897	29.0
139.07529	1.5
139.11111	1.1
141.06966	1.9
143.08527	2.7
145.06403	2.5
145.10144	6.8
147.04326	1.8
147.08038	2.0
147.11690	7.5
149.02313	7.8
149.05943	1.3
149.09645	2.1
149.13254	6.8
150.03113	1.3
151.03902	16.4
151.14867	0.9
152.06190	1.1
153.01808	2.9
153.06943	1.6
155.08629	1.6
156.09380	1.1
159.04387	2.1
159.08002	1.6
159.11671	5.6
160.05142	1.5
161.05992	1.7
161.13292	6.6
163.03888	11.8
163.07582	1.7
163.11131	1.8
163.14836	4.1
165.12733	2.2
166.02628	4.8
167.07018	1.1
169.01346	2.5
169.10107	2.0
173.05943	2.2
173.09602	2.2
173.13255	3.8
175.03874	3.4
175.11148	1.4
175.14772	3.3
177.05487	2.9
177.12720	1.4
177.16319	1.8
179.03362	2.6
179.08464	1.6
179.14236	1.5
181.04964	39.2
181.06447	3.9
184.03654	10.1
185.05952	1.9
187.03784	1.4
187.14806	2.0
189.16344	2.2
191.17950	3.5
193.05003	2.3
193.12172	1.4
197.06015	3.7
197.09598	1.8
199.07544	2.1
201.16336	2.3
210.06700	2.7
211.07480	2.6
213.05418	3.8
215.07018	2.4
215.17953	2.9
217.19502	1.4
225.05568	2.1
225.09183	5.5
227.06989	4.5
229.08704	2.0
230.05818	1.2
231.06516	4.3
241.04912	1.3
243.06531	2.0
243.10123	1.7
243.20810	1.1
245.22552	1.2
253.08533	4.6
256.07269	2.9
259.06033	7.3
261.07275	5.5
261.15784	1.1
271.06036	4.0
271.09644	28.2
271.16913	2.2
271.20932	1.7
271.24097	6.0
274.08362	4.2
289.07153	7.5
289.10669	5.8
289.14539	2.9
289.18475	8.2
289.21613	7.1
289.25232	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
52.75624	0.5
53.03910	0.7
55.01862	1.0
55.05472	0.7
57.03420	0.6
57.50300	0.5
63.89373	0.6
65.03949	2.5
67.01857	3.9
67.05457	1.7
68.99787	3.5
69.03416	2.5
69.07056	1.0
71.51527	1.0
79.05495	3.5
81.03389	1.8
81.07059	2.5
81.77932	0.5
83.01313	0.8
85.02890	0.6
85.06537	1.0
89.03906	6.5
91.05466	3.3
93.03397	2.6
93.07019	2.2
94.02062	0.6
95.04938	2.1
95.08575	2.3
97.02862	1.6
97.06523	0.8
100.31072	0.6
103.05459	0.6
105.07059	2.8
106.06475	0.5
107.04964	4.5
107.08569	1.9
109.02861	2.8
109.10143	1.5
111.00774	3.0
111.04440	9.1
117.03376	8.1
117.07014	1.0
118.06527	2.2
118.96175	0.5
119.08588	1.9
120.08090	3.9
120.91400	0.5
121.02824	0.9
121.10166	0.9
122.09631	0.5
123.04428	16.5
124.07595	2.8
127.03916	4.4
128.06183	0.5
129.06961	0.6
131.04912	1.6
131.08546	0.8
133.10153	0.6
134.05972	2.0
135.04410	41.5
135.11661	0.9
136.07570	2.5
137.02357	1.3
137.06027	0.6
138.05566	0.8
139.02831	0.7
139.03902	13.4
143.08542	0.7
145.02837	11.4
145.06514	1.2
145.10115	0.7
146.06087	1.0
147.06792	0.9
147.11681	1.1
148.07533	2.5
148.18536	0.5
149.02332	2.0
149.13272	0.7
151.03929	6.3
153.01825	100.0
154.02144	1.5
155.02342	0.9
157.06499	1.3
159.04391	2.1
161.05963	1.2
161.13264	0.9
162.05554	2.5
163.03894	59.6
164.07062	26.3
166.08702	0.8
169.06415	0.8
171.02890	4.9
173.05983	1.1
177.05513	1.1
179.03397	4.9
185.05963	1.0
187.03870	2.5
197.04308	0.6
197.06039	1.6
199.07503	0.8
205.05043	2.1
213.05414	0.8
215.07060	0.9
225.05475	0.8
225.09164	1.0
229.13356	0.7
231.06476	1.5
243.14946	1.5
245.16570	0.7
247.06003	0.6
253.08650	1.5
259.06009	2.7
261.07693	1.6
271.06088	3.7
271.09860	0.7
271.14322	5.1
289.07050	73.6
289.15411	17.2
289.25296	1.4
290.07529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.02385	0.7
53.03943	1.5
55.01867	1.9
55.61382	0.7
58.52916	0.8
65.03941	5.1
67.05494	3.0
68.99775	3.2
69.03418	0.8
71.02506	1.5
77.03926	1.8
79.05488	1.3
79.45751	0.8
81.03406	1.2
83.01318	0.8
88.47680	0.8
89.03899	3.3
89.04385	0.8
91.05481	1.3
93.03405	5.6
95.04971	5.3
97.02891	1.6
103.05476	1.3
103.96150	0.7
105.03385	2.0
107.04960	4.8
109.02821	0.8
111.00796	1.3
111.04439	16.9
117.03385	5.2
121.02869	1.4
121.10140	1.0
123.04426	100.0
124.04787	1.1
124.52828	0.7
127.03911	8.6
130.06529	10.2
131.04945	3.6
132.04419	3.0
135.04411	72.3
136.49326	0.8
137.02319	2.2
139.03897	40.0
145.02852	3.3
145.06464	1.1
146.19017	0.7
149.02333	5.0
149.05962	2.2
150.03209	0.9
151.03897	17.4
157.06541	0.8
157.07613	4.8
158.06026	9.1
159.04411	2.4
161.05963	1.2
163.03894	25.9
169.06483	1.9
173.06001	1.9
175.08739	5.1
177.05478	2.5
179.03336	1.4
185.05968	1.9
187.03883	3.2
197.05980	2.3
197.10710	1.2
199.08704	2.3
205.04996	3.7
211.08647	1.2
213.05434	1.6
215.07028	1.9
225.05421	1.6
231.06508	4.3
243.06502	2.1
245.04422	5.9
253.05005	0.9
258.11819	0.8
259.05920	4.8
261.07559	3.3
270.79752	0.9
271.05902	5.5
289.07056	11.7
289.11777	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	289.0706
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
55.01868	1.6
65.03948	4.9
66.06332	0.6
66.32091	0.7
67.05498	3.8
68.99770	2.8
69.03418	2.1
69.83243	4.1
70.31120	0.6
71.04956	0.7
77.03931	1.3
79.05481	1.6
81.03410	2.0
81.07040	0.9
81.69652	0.7
83.04971	1.6
85.02914	1.1
85.06561	5.7
89.03918	5.0
90.63341	0.7
91.05487	1.1
93.03416	4.5
93.07058	0.7
95.04948	5.4
97.02876	0.9
102.90101	0.8
103.05441	1.3
105.03389	2.5
107.04961	4.7
107.08582	0.8
109.02903	1.1
111.00820	1.2
111.04443	19.6
117.03367	4.0
121.02889	0.9
123.04428	100.0
124.04795	1.0
124.07525	1.5
125.07979	1.7
125.95824	0.7
127.03928	10.1
129.81331	0.8
130.06531	5.1
131.04919	3.2
132.04454	1.1
135.04414	72.2
137.02335	3.6
137.05975	0.7
139.03905	40.6
140.69130	0.8
141.07004	1.2
145.02859	3.5
145.06480	0.9
149.02353	8.2
149.05994	2.1
150.03181	0.9
151.03902	17.1
157.06485	1.4
157.07649	3.6
158.06035	4.7
159.04404	3.3
161.05928	1.2
163.03900	25.1
169.06511	1.2
173.05940	1.0
175.08714	2.6
177.05515	2.2
179.03447	2.8
185.06027	2.1
187.03926	3.3
187.07539	0.8
195.02870	0.8
197.06021	2.8
199.08682	1.1
201.05492	2.1
201.09146	0.7
205.04948	3.7
213.05449	2.0
215.07001	1.7
216.38440	0.7
217.04912	1.1
225.05528	1.7
229.04979	1.4
229.08867	0.8
231.06548	6.4
237.62779	0.7
241.05020	1.7
243.06506	3.5
243.11009	0.8
245.04433	7.9
253.04984	1.0
259.06039	9.6
261.07562	5.3
271.06012	6.9
285.72562	0.8
289.03784	1.5
289.07059	12.2
289.11850	8.1
289.17737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03938	1.0
55.05503	1.1
60.00995	0.6
65.03922	2.6
67.01865	6.0
67.05488	2.2
68.99786	5.5
69.03429	3.3
69.07088	1.3
69.64888	0.6
69.69810	2.2
69.70228	2.1
70.29230	0.6
71.04977	0.8
75.98309	0.6
78.71774	0.6
79.05496	4.8
81.03402	3.1
81.07050	4.6
83.04984	1.2
85.06530	1.3
89.03924	5.3
91.05478	2.7
93.03390	2.7
93.07034	4.9
95.04961	2.6
95.08598	2.3
97.02906	1.5
97.06532	2.2
99.04461	1.5
105.07030	3.5
107.04950	5.7
107.08591	2.6
109.02876	2.0
109.06502	2.2
111.00794	2.9
111.04442	11.1
111.08077	1.8
115.05396	0.7
117.03379	7.0
119.04986	0.7
119.08562	1.8
121.02917	1.0
121.06499	5.8
121.10163	0.8
123.04430	18.8
124.07573	1.3
125.02374	1.4
125.05979	1.4
127.03904	4.6
127.07529	1.0
131.04932	0.7
131.08586	1.0
132.73772	0.7
133.10164	1.7
134.49236	0.6
135.04413	43.8
135.08014	0.8
137.02344	2.2
137.05948	1.9
139.03911	15.7
139.07529	2.2
143.08530	1.0
145.02846	8.5
145.06483	1.5
147.08098	1.5
147.11707	3.5
149.02359	8.0
149.05928	0.8
151.03896	5.2
151.11218	1.2
153.01828	100.0
154.02075	0.7
157.10185	1.1
159.04427	1.7
159.08083	0.9
161.05934	0.8
161.13322	0.7
163.03905	54.5
165.12738	0.9
169.06523	1.9
171.02882	19.5
171.11665	1.0
173.05957	1.0
175.11116	1.5
177.05472	1.0
179.03383	5.7
185.05954	0.8
187.03929	2.1
189.12737	1.2
191.08121	1.3
193.12241	2.5
197.06009	2.3
199.11232	1.5
201.05533	1.2
205.05092	1.0
207.13789	1.4
211.13205	1.5
213.05429	1.4
215.07051	4.9
217.12224	5.8
229.04948	1.0
231.06567	2.3
235.13278	4.3
243.06583	7.0
247.05966	1.1
253.14391	1.9
259.06052	3.4
261.07602	3.0
271.06052	6.5
289.07074	58.7
289.12088	1.8
290.07385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01874	1.5
55.05509	1.2
56.96308	0.6
56.96563	6.6
57.03242	0.4
57.03437	4.5
57.39001	0.5
58.03778	0.7
58.99864	1.2
59.04996	0.8
61.02699	0.5
61.02930	5.5
68.05021	1.0
68.98285	0.6
69.03425	7.6
69.22428	5.5
70.03760	0.8
70.06592	1.7
70.99850	1.0
71.01335	0.6
71.04983	2.8
73.02914	4.3
74.03230	0.8
77.00907	1.5
79.05487	0.6
81.03410	4.4
81.04549	0.9
82.06573	0.8
82.99816	2.5
83.04947	0.9
84.08163	0.8
84.96049	0.7
85.02908	12.8
85.06569	0.6
86.03219	0.9
86.99319	0.7
87.04462	1.7
89.00905	0.9
94.06558	0.6
95.01949	0.6
95.48595	0.5
96.93862	0.5
97.01389	0.9
97.02332	1.2
97.02885	9.4
97.52518	0.8
98.03226	1.7
98.97579	9.5
99.04459	1.7
100.99146	1.0
101.00875	25.8
102.96863	0.5
103.02418	1.1
105.00370	1.3
106.02852	3.6
109.02844	2.9
109.07643	4.7
110.97552	1.2
112.99130	4.3
113.00886	2.4
113.99435	0.6
115.02442	13.3
115.03270	1.1
116.07083	1.0
116.98615	4.8
117.04008	1.4
119.01920	100.0
120.01985	2.7
121.01587	1.3
121.02414	0.7
121.03465	0.6
124.99147	0.8
126.05511	1.5
126.98753	0.6
127.02417	1.2
127.03922	5.3
127.05022	2.5
127.05923	1.3
127.08685	9.6
128.04352	1.0
128.07091	1.3
128.98625	1.4
129.03979	4.4
131.00208	4.9
131.01901	11.4
131.03510	0.8
131.05542	2.5
132.00523	0.8
133.01794	1.2
133.03462	31.9
134.99641	2.0
135.05141	1.2
137.02956	23.8
140.02313	1.1
140.07030	0.6
142.03484	2.8
143.00157	0.8
143.01895	13.8
144.02029	0.6
144.99820	3.3
145.01740	1.5
145.02333	0.6
145.03467	8.7
145.04794	0.9
146.99603	1.8
147.01387	2.4
147.03250	0.7
147.05020	8.1
148.03944	0.7
149.01239	3.4
149.02953	4.3
149.06590	4.3
150.01598	1.0
151.02600	0.6
151.04549	5.9
153.01820	1.1
155.01857	2.8
156.05077	0.8
157.03468	4.2
158.99690	0.9
159.01431	1.5
159.05026	1.8
161.02956	49.8
161.06609	4.3
162.03204	1.2
163.02757	2.8
163.04503	3.1
163.54604	0.8
167.02112	0.8
168.99834	5.7
169.03259	1.1
169.04561	4.1
169.54556	4.5
171.01375	5.5
171.05045	1.8
173.01396	1.2
173.02946	11.7
173.04326	0.5
175.00917	2.1
175.02840	1.6
175.04555	3.9
176.03244	0.8
176.05978	0.8
176.56230	1.5
177.00758	1.6
177.02448	2.3
177.06058	1.9
178.04926	11.5
178.55099	13.9
179.02391	0.9
179.03960	2.1
179.05350	2.5
179.07661	1.5
183.05171	1.1
184.04631	2.6
185.03029	2.4
187.00896	18.6
187.02716	1.3
187.04483	7.5
188.01083	0.7
189.00792	0.9
189.02452	14.1
189.04149	1.2
189.06117	2.1
189.55782	1.8
190.02646	0.5
190.05980	2.4
190.55969	0.6
191.00478	0.7
191.02356	1.0
191.03975	9.4
191.05635	0.9
192.04469	0.7
193.02118	1.0
193.03853	2.9
196.99318	3.1
197.03069	0.8
199.00876	7.0
199.04517	2.9
201.00873	1.3
201.02493	2.3
201.04221	0.7
201.06049	1.2
203.00496	0.8
203.03984	2.8
205.01949	7.1
205.05577	1.6
207.01849	0.8
207.03520	3.9
207.07036	1.9
207.55438	0.8
207.57211	2.4
208.07295	0.9
211.04726	2.2
214.05716	0.8
215.00375	19.1
215.03644	0.8
216.00604	0.7
217.01964	16.8
217.05659	1.6
219.01804	0.9
219.03511	5.1
220.02031	0.7
221.05052	3.6
227.03963	0.9
229.01947	4.9
229.05470	3.1
231.03450	2.6
233.01399	3.6
235.03047	1.2
237.02724	2.7
238.02000	1.0
240.03519	0.7
242.05379	0.8
245.05081	1.6
247.02992	15.2
248.03114	0.7
249.04796	0.6
250.57257	1.8
251.02585	0.8
257.01434	1.2
257.05060	5.2
259.03009	0.6
259.03998	0.7
259.06619	5.2
265.04062	5.5
270.04639	1.4
272.11234	0.9
272.56726	1.4
275.02249	0.7
277.03976	1.5
288.59860	4.5
289.03912	4.5
289.08618	7.5
289.11725	0.7
289.14267	1.9
289.17230	0.6
290.12418	2.0
295.07101	1.2
296.07349	1.0
303.01419	0.6
307.05133	3.5
307.08734	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	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
54.28979	1.4
55.01858	3.3
56.96550	3.9
57.03443	7.3
58.99873	1.9
60.63501	1.3
61.02911	6.1
67.05501	1.6
68.62537	1.3
69.03436	19.9
69.10806	1.3
69.68455	4.0
69.68884	5.0
70.06577	4.8
71.01351	2.0
71.04978	5.9
72.55151	1.5
73.02921	12.0
79.05485	2.7
81.03417	12.5
81.04521	3.1
82.99843	2.4
85.02905	30.2
91.03946	2.3
91.05472	2.4
93.03370	2.9
95.04959	3.5
95.08592	1.9
97.02882	19.3
98.97559	3.9
99.04466	8.1
101.00874	23.8
105.00371	1.6
107.04948	2.4
107.08569	1.5
109.02885	12.9
109.68465	1.5
111.04451	8.7
113.00901	1.7
113.02335	1.6
115.02445	10.3
116.98606	1.8
119.01919	100.0
120.02017	3.0
121.01576	1.9
121.03481	2.1
121.06555	1.8
123.04441	12.8
127.03923	63.6
127.04955	4.6
127.08656	4.7
128.04308	1.8
129.03964	2.8
131.01900	11.1
131.05035	1.6
131.96164	2.6
132.95898	1.8
133.03458	24.9
133.30188	1.5
135.04381	26.1
135.40863	1.7
137.02968	26.6
137.05920	1.4
139.03954	8.9
142.03502	3.5
143.01933	15.3
144.02061	2.8
144.99814	3.3
145.01663	2.4
145.03467	6.2
145.04922	4.3
146.99588	1.9
147.01265	2.5
147.05009	5.0
149.02260	1.7
149.03018	1.5
149.05943	2.2
151.03777	3.9
151.04631	2.7
155.01859	5.1
157.03481	5.1
161.02954	59.5
162.03163	4.1
163.00772	1.9
163.02702	2.9
163.03923	3.4
167.03441	1.6
168.99870	6.7
171.01357	6.3
172.99405	1.4
173.02972	15.5
173.97186	3.1
174.03119	4.0
174.96942	2.1
175.02756	2.6
175.04506	3.0
177.02417	2.3
177.05460	1.7
179.02052	1.5
179.03836	2.5
183.55124	1.6
184.04694	5.9
185.02933	3.5
185.97218	2.7
186.02214	4.8
186.04639	1.9
186.96860	2.1
186.99319	2.9
187.00890	21.9
187.02513	1.5
187.04391	1.7
189.00726	2.7
189.02409	18.1
191.03978	9.3
192.55649	4.1
193.05324	2.3
196.99232	2.4
199.00899	4.5
199.05771	2.4
201.02444	3.5
203.04007	5.4
205.01917	5.1
205.03645	1.8
207.03531	6.3
210.02409	2.6
214.05560	1.8
215.00377	25.0
215.03899	1.6
217.01933	15.4
219.03508	5.3
221.05054	2.1
223.06024	2.3
229.01936	4.6
231.03279	3.0
233.01445	2.8
234.99010	1.7
238.01958	2.4
243.04300	4.1
247.02972	18.8
251.02426	2.1
259.06088	2.4
261.07654	1.9
265.04083	4.4
270.04535	3.0
289.03851	2.1
289.08966	3.9
289.14676	1.9
289.21643	1.9
307.05093	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
51.02368	1.1
53.03955	2.3
54.96717	0.9
55.01854	2.6
55.05511	13.6
57.03424	1.2
57.07067	5.2
66.20703	0.9
67.05172	1.4
67.05506	15.1
67.79046	1.1
68.99778	1.5
69.03410	2.2
69.07066	15.8
69.18623	3.3
69.19045	9.0
71.04977	2.4
74.03784	1.0
79.05487	21.8
81.07053	64.8
82.07365	1.1
82.75352	1.0
83.04957	1.9
83.08619	8.0
85.06538	3.0
91.05478	18.9
93.07040	29.9
95.04961	2.6
95.08603	41.4
97.06495	2.8
97.10139	4.7
99.08080	1.4
103.05460	1.5
105.07027	35.9
107.08586	34.1
109.06525	5.3
109.10148	24.8
111.08064	6.8
111.11702	2.0
115.05425	2.4
117.07030	6.1
119.08575	37.6
121.02892	1.2
121.06494	2.1
121.09335	1.7
121.10143	26.6
121.45260	0.9
123.08064	2.5
123.11698	11.9
125.09595	3.4
128.06172	2.7
129.07010	5.5
130.07770	1.4
131.04832	1.2
131.08571	20.4
133.06516	1.3
133.10123	29.9
135.08041	2.1
135.11703	16.8
137.09598	2.3
137.13219	3.5
139.11128	2.9
141.06909	1.3
142.07736	3.9
143.08554	13.7
144.09279	2.9
145.10110	32.6
147.11685	22.0
149.09628	1.8
149.13245	12.4
151.11160	4.1
153.01837	1.4
155.08588	1.5
156.09363	2.4
157.06461	1.2
157.10103	15.0
158.10901	2.3
159.11688	33.2
160.12111	1.5
161.09651	2.3
161.13242	13.9
163.11134	3.3
163.14813	5.0
165.12703	2.0
167.07001	1.5
168.00597	1.5
169.10141	1.1
170.10884	2.2
171.04446	1.6
171.11674	14.5
172.12277	1.4
173.13251	25.4
175.03934	2.0
175.14824	18.9
177.12686	4.2
177.16350	2.6
179.14291	2.2
183.02875	4.1
183.11597	1.7
184.12407	1.3
185.13280	15.2
186.13882	1.6
187.14810	14.8
189.12688	2.0
189.16348	7.0
191.14296	2.3
193.15787	1.3
197.13225	2.1
199.03900	1.7
199.14790	15.8
200.15488	1.3
201.16386	8.9
203.03291	2.4
203.14299	3.2
203.18001	3.0
205.15868	9.4
206.16643	2.3
207.17442	1.2
211.14748	1.6
213.05391	1.9
213.16379	14.6
215.17967	3.6
217.05032	1.5
217.15836	6.5
217.19337	1.3
219.17390	2.2
223.07640	1.1
227.06978	1.8
227.17969	20.4
228.18561	2.3
229.19493	35.1
230.19832	1.6
231.17461	6.5
241.08620	1.7
241.19525	4.8
243.06557	2.6
243.20988	1.6
245.04573	2.0
245.07640	1.0
259.24261	5.4
269.08118	2.4
269.11575	1.6
269.19574	2.4
269.22620	38.0
270.23047	2.7
287.05460	16.4
287.08945	4.1
287.12695	3.8
287.16873	2.4
287.20230	6.4
287.23657	100.0
288.23987	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	287.2368
Annotation	Retinol
Peak:m/z	Relative Intensity
50.42168	0.9
53.03921	2.0
55.05505	12.4
57.07053	3.2
63.08666	0.9
67.05505	18.4
69.03400	0.9
69.07066	19.5
70.17677	5.2
71.04973	2.1
71.08624	1.6
77.03896	1.1
79.05486	11.9
81.07053	51.1
83.08611	6.1
85.06554	1.9
85.94862	0.9
91.05473	14.4
93.07040	31.5
95.04977	2.4
95.08604	44.0
97.06496	2.9
97.10150	3.8
99.08102	1.2
105.07024	38.4
107.08586	36.1
109.06490	3.8
109.10152	27.2
111.08077	11.3
111.11682	1.9
115.05401	1.6
117.06994	6.4
119.08576	40.0
121.10139	29.2
123.07999	2.6
123.11698	13.5
125.09615	2.7
129.06967	4.4
131.08566	20.3
133.10126	24.3
135.08028	2.2
135.11694	15.3
137.09587	1.5
137.13242	2.8
139.11143	2.6
141.07053	1.0
142.07735	3.2
143.08577	12.6
144.09308	2.1
145.10112	29.8
147.11684	22.9
149.09547	1.7
149.13237	12.7
150.44746	1.2
151.11194	2.2
156.09337	1.9
157.10110	17.5
158.10869	2.6
159.11685	30.9
160.12283	1.2
161.09644	1.4
161.13251	18.0
163.11157	3.9
163.14812	6.7
165.12750	3.0
169.10138	1.3
170.10904	1.2
171.11664	14.7
173.13261	27.3
175.11169	1.4
175.14830	14.6
177.12686	5.1
177.16367	3.3
179.14151	1.2
185.13217	12.7
187.14813	11.3
189.12813	1.7
189.16356	8.0
191.14284	3.9
193.15785	2.8
197.13142	1.4
199.14812	14.9
200.15393	1.7
201.16376	7.0
203.14270	2.7
203.17906	3.7
205.15811	2.1
213.16360	17.1
214.17017	1.3
215.17937	4.0
217.15903	4.2
227.17920	11.0
229.19518	30.8
230.19824	1.8
231.17395	5.3
231.21048	1.9
241.19504	4.0
243.21181	1.2
245.18922	1.6
259.20593	1.1
259.24170	4.9
269.19595	2.5
269.22620	50.6
270.22910	3.0
287.05502	5.2
287.20349	3.8
287.23663	100.0
288.23834	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	287.2367
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03939	0.8
54.72005	0.7
55.01842	0.8
55.05508	5.3
57.03418	1.1
57.07053	1.2
61.28275	0.6
65.03920	0.9
67.05499	5.6
68.99778	2.5
69.03417	1.0
69.07067	8.4
69.46425	1.6
69.46840	5.0
71.04988	0.8
79.05492	3.5
81.03396	1.6
81.07053	11.9
82.94734	0.6
83.04990	0.8
83.08599	2.5
85.06564	1.1
91.05476	3.5
93.07037	7.5
95.04969	1.8
95.08598	15.2
97.06519	2.2
97.10130	1.0
98.20822	1.6
99.08170	0.7
103.05448	0.9
105.03363	1.1
105.07021	10.3
107.08584	11.7
109.02847	0.9
109.06506	1.9
109.10149	9.7
114.59447	0.6
115.05453	1.0
117.07016	3.0
119.08572	13.2
120.04748	0.6
121.02853	4.1
121.06482	1.5
121.10133	8.4
123.11713	4.0
125.09579	0.7
127.03911	0.8
128.06096	1.1
129.06987	2.2
131.08563	7.5
133.10130	10.0
135.04408	1.2
135.08009	0.8
135.11678	4.4
137.02319	5.0
137.05952	2.2
137.09557	1.1
137.13232	1.4
139.05415	0.7
139.11232	0.8
142.07751	1.7
143.08557	4.3
144.09351	0.8
145.06488	1.1
145.10126	10.5
147.04430	1.2
147.11667	9.1
149.02332	1.3
149.05986	1.0
149.09604	1.3
149.13226	3.4
151.07478	0.7
151.11157	0.8
153.01822	6.8
155.08502	0.9
156.09294	0.8
157.06467	1.5
157.10115	7.7
158.10942	1.2
159.11676	12.4
161.09683	1.1
161.13251	5.7
163.03915	0.9
163.14818	2.8
165.01813	1.5
167.07137	1.0
167.08525	1.0
170.10895	1.3
171.04378	1.3
171.11679	8.9
173.13232	8.8
175.14838	6.9
177.12764	1.9
177.16299	1.3
183.02910	1.1
184.12364	0.9
185.05858	1.8
185.13281	8.2
186.13982	0.7
187.07468	0.8
187.14793	6.3
189.16354	5.2
190.17154	2.9
191.17941	1.2
195.08006	1.1
197.05888	0.8
197.13226	0.8
199.14790	7.8
200.09325	2.9
201.16402	4.0
203.14345	1.3
203.17970	1.5
211.14709	0.9
212.04575	1.0
213.05449	6.0
213.16353	7.5
215.17952	2.7
217.15863	2.7
227.10670	1.7
227.17917	7.1
229.19492	9.8
230.19865	0.8
231.06471	1.3
231.17458	1.0
241.04868	2.6
241.19566	2.2
242.11678	1.1
243.21039	4.0
245.19019	1.2
255.10080	0.9
257.22595	1.7
258.05142	0.9
259.24200	2.1
269.04288	1.5
269.22607	19.3
270.11276	1.0
271.11758	0.8
272.55206	0.8
287.05478	100.0
287.23651	44.6
288.05844	7.1
288.24100	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	287.2368
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03947	1.2
55.05513	6.8
57.07059	3.5
65.53826	1.0
67.05499	11.9
69.07070	17.0
69.37595	8.8
69.38000	2.0
71.04980	1.2
71.08613	1.1
79.05499	7.1
81.07061	19.7
83.08622	6.5
85.06523	2.2
91.05476	8.3
93.07056	12.4
95.04975	3.1
95.08608	33.2
97.06532	3.9
97.10156	3.3
99.08060	1.2
105.07029	20.9
107.08591	20.5
109.06502	1.8
109.10154	17.3
111.08103	2.4
111.11739	1.4
117.07015	3.5
117.21886	1.2
119.08586	27.6
121.06489	1.2
121.10148	17.8
123.08037	2.5
123.11124	0.9
123.11720	9.5
125.09689	1.8
128.60547	1.1
129.06976	3.0
129.33452	1.0
131.08575	11.5
133.10144	20.6
135.04407	1.0
135.08125	2.5
135.11734	8.9
137.09589	1.1
137.13257	4.7
142.07780	2.4
143.08574	10.6
144.09378	1.3
145.10129	21.8
147.11700	16.3
149.09657	1.6
149.13295	8.7
150.43584	1.0
151.11115	1.5
153.01848	1.5
156.09297	2.8
157.10152	15.7
158.10872	2.3
159.11694	28.0
161.09656	1.9
161.13249	15.3
163.11189	2.0
163.14827	7.0
165.12770	1.9
170.10847	1.5
171.11703	13.2
173.13264	19.8
175.11243	2.1
175.14809	20.4
177.12721	1.9
177.16415	1.9
183.11806	1.2
185.13258	14.3
186.14020	1.0
187.14838	14.0
188.15466	1.1
189.12738	2.1
189.16380	16.6
190.17168	7.2
191.14337	2.1
191.17850	2.1
191.66479	1.1
197.13246	1.4
199.14827	15.5
200.15367	1.5
201.16356	10.0
203.14267	2.1
203.17972	3.7
211.14763	1.7
213.16359	15.1
214.12401	1.1
214.17142	1.7
215.17908	7.2
217.15891	4.3
217.19586	2.4
227.17937	12.5
229.19514	21.5
230.19742	1.7
231.17401	3.3
241.19576	3.5
243.21066	9.2
244.21181	1.1
245.18993	4.1
257.22574	3.4
259.24243	3.2
269.12875	4.1
269.22647	43.4
270.23022	2.2
287.05521	17.4
287.13538	4.6
287.23694	100.0
288.05811	1.8
288.24112	3.6
292.27573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
57.03421	1.9
57.20227	0.8
67.05484	0.7
71.17283	1.8
71.81374	0.7
78.04696	1.6
79.05495	6.6
81.07023	0.8
91.05491	4.0
95.04962	2.0
103.05466	8.1
105.07007	5.7
107.04953	54.3
109.06478	0.9
115.05463	2.9
117.07027	1.6
120.05708	2.2
121.06470	0.9
122.03657	0.7
123.04424	3.3
123.95428	0.7
124.05201	3.5
125.06005	1.6
131.04922	2.7
133.06451	1.3
135.04443	0.8
135.08052	14.1
137.05988	1.6
145.06570	0.7
145.07614	0.9
147.04431	1.3
151.03848	1.0
151.07504	0.9
152.04678	1.6
154.06247	3.2
163.07544	32.2
165.05568	1.1
167.07036	100.0
168.07487	1.5
180.07829	3.3
181.08611	1.4
193.08603	3.4
195.10161	29.1
211.09673	6.2
212.10333	1.2
213.11206	28.2
233.52039	0.7
287.05466	2.8
288.63309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01872	2.4
55.05495	2.6
57.03419	2.7
65.03925	1.1
67.05492	3.8
68.99787	4.7
69.03423	2.3
69.07068	2.7
69.19170	8.8
69.19582	1.8
71.04999	2.0
75.90168	0.9
78.04702	1.5
79.05499	10.6
81.03401	3.2
81.07062	6.0
85.02888	1.2
91.05483	9.3
93.07043	4.7
95.04963	4.0
95.08597	4.1
97.02872	1.1
97.06516	3.0
97.37618	1.0
98.20685	2.1
98.98470	1.2
103.05464	10.6
105.07012	10.2
106.04182	1.3
107.04955	52.6
107.08578	2.7
109.02879	5.6
109.06514	2.5
109.10155	1.4
111.00829	1.2
111.04471	1.3
115.05470	4.5
117.07013	4.5
119.04981	1.0
119.08643	2.3
120.05714	2.8
120.08127	1.2
121.06501	3.5
121.10152	2.7
123.04398	4.7
124.05248	1.4
125.00579	1.2
125.05965	2.6
125.09631	1.7
128.06256	2.6
129.07039	1.5
131.04916	5.0
131.08539	1.0
133.06474	2.0
133.10150	1.8
134.03685	1.1
135.04419	2.4
135.08052	16.6
137.02373	1.3
137.05989	6.1
141.00671	1.0
141.06975	1.2
143.08640	1.0
145.06497	2.2
145.07576	2.1
145.10104	2.1
147.04428	3.9
149.02377	1.5
149.05998	3.7
150.06630	1.1
151.03925	2.2
151.07568	2.2
152.04680	2.0
152.06184	2.1
153.01805	5.8
153.05513	1.3
153.07050	0.9
153.64665	0.9
154.06264	3.5
157.10091	1.1
159.11707	1.5
161.06036	1.4
161.09601	1.1
163.03964	1.1
163.07545	42.1
165.05489	2.1
165.09088	1.8
167.07043	100.0
167.08466	4.3
169.06503	1.3
169.10078	1.0
171.04414	2.1
171.11716	1.1
173.13327	1.3
175.03960	2.7
177.06889	1.2
180.07855	2.8
181.06567	1.6
185.05954	2.0
189.05461	1.1
191.07076	5.5
193.08650	3.0
195.08130	5.4
195.10187	30.7
199.03990	2.8
203.03432	2.9
209.08051	1.7
211.09709	4.7
212.08257	1.4
213.05504	4.0
213.09090	1.7
213.11215	23.9
217.04939	1.9
219.06454	1.4
223.07541	2.3
227.10587	6.7
237.09113	1.2
241.05009	2.8
241.08647	2.0
245.04582	3.3
255.10201	4.2
259.06003	1.7
259.09811	1.1
269.04428	3.4
269.12631	1.3
287.02289	2.5
287.05536	64.9
287.09598	8.2
287.13025	4.5
287.16486	1.7
287.20001	1.2
287.23755	1.7
288.05804	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	Myrigalone H
Peak:m/z	Relative Intensity
51.81852	0.7
53.03960	1.0
53.23424	0.6
56.89719	0.7
61.54113	0.6
65.03619	0.6
65.03939	2.1
67.05482	0.7
69.49235	5.2
77.03908	0.9
79.05486	2.4
91.05475	100.0
92.05794	1.0
95.04986	1.1
98.21245	2.2
103.05472	2.4
105.07024	94.0
106.07368	0.9
109.06517	1.9
111.16677	0.7
115.05447	25.6
117.07009	5.2
118.57693	0.6
125.02361	1.4
125.05994	1.3
129.06996	3.3
133.06477	15.3
137.06000	2.4
146.03610	0.7
151.07576	1.2
153.05455	9.6
155.07014	10.6
163.03931	0.6
165.07011	1.7
166.07835	2.0
167.03325	0.8
167.07048	8.5
167.08418	1.4
169.06483	0.7
176.04730	1.5
177.05450	1.2
177.06929	1.1
178.06326	1.4
178.07805	2.9
179.07080	1.4
179.08566	1.6
181.04883	3.0
182.05284	1.5
183.05240	1.1
183.06557	2.5
191.07011	16.2
191.08586	1.4
194.07280	4.2
195.08075	1.2
205.06482	1.6
207.08043	1.4
209.09592	5.6
210.10257	1.0
210.17668	0.7
223.07492	0.8
226.09836	1.5
237.09119	9.4
238.09851	1.2
239.07115	0.9
241.12245	3.3
245.11818	0.9
253.08620	1.5
254.09373	2.9
269.11703	45.9
270.12137	1.3
287.05704	1.4
287.12750	40.7
288.13086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05510	1.5
56.96566	10.3
57.03416	1.4
58.18024	1.1
61.02916	2.2
64.99722	1.2
65.03938	1.4
67.05502	2.4
68.05025	1.4
69.03421	5.6
70.06585	9.8
71.04983	1.8
71.06922	2.2
71.49555	1.4
73.02911	2.3
79.05497	1.5
81.03404	2.6
81.07062	2.3
82.07405	1.5
83.06109	1.6
85.02900	7.9
90.22984	1.1
91.05475	1.7
95.04967	1.6
95.06105	2.1
97.02898	6.7
98.97584	8.7
98.98463	1.1
101.00907	3.6
109.02926	1.9
109.06475	1.4
110.01237	1.2
110.07156	8.1
111.07501	4.1
112.07595	4.4
113.07938	4.1
116.98612	6.9
119.01909	15.0
119.04971	1.6
121.06502	1.5
124.03961	10.0
125.02392	1.5
125.04291	10.1
125.07103	1.5
127.03910	3.5
128.02242	1.1
128.98607	1.4
130.93246	1.3
131.01868	2.0
134.99641	2.7
135.04430	2.2
137.03018	1.3
137.05971	1.7
140.07030	2.1
141.07422	2.3
143.01909	16.4
143.03177	1.5
146.99658	2.0
147.04362	2.6
153.01830	9.3
156.07658	1.2
157.08072	1.3
158.99690	1.3
161.01163	2.7
161.01430	1.9
161.02957	36.8
161.04463	1.3
163.03889	6.8
163.12346	1.8
164.12653	5.5
170.05199	4.0
177.00711	2.7
180.49251	1.0
181.04964	1.8
184.04573	3.8
191.13799	1.5
195.05330	1.5
203.03970	6.5
206.08125	3.2
208.04939	1.2
209.14793	1.9
213.05482	1.1
219.01773	3.2
221.05014	2.1
231.06714	1.6
237.02736	3.2
249.02791	1.3
255.15349	3.0
258.07666	2.3
287.05606	11.4
287.11035	100.0
287.17746	11.6
287.23447	1.3
288.05716	1.5
288.11264	3.9
309.05054	2.2
309.08578	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	287.1276
Annotation	4'-Hydroxy-2',6'-dimethoxydihydrochalcone
Peak:m/z	Relative Intensity
50.01596	0.5
53.03929	0.6
55.01875	0.9
55.05513	2.2
57.07080	0.9
60.05899	0.5
65.03938	3.9
67.05500	4.2
68.99790	4.8
69.03423	1.1
69.07070	2.9
71.04984	0.8
71.51711	0.8
79.05492	6.5
81.03419	1.2
81.07050	5.6
83.04975	0.6
83.08608	1.3
85.02901	1.4
85.06525	0.7
91.05479	95.9
92.05805	1.1
93.07044	3.7
95.04963	4.6
95.08618	4.8
95.38009	0.5
97.02905	0.5
97.06527	1.2
97.10154	0.6
98.98444	0.6
103.05450	3.0
105.07030	79.0
106.07359	1.4
107.04957	3.3
107.08590	4.0
109.06499	2.6
109.10172	3.7
111.00852	0.6
111.04465	0.9
111.08109	0.7
115.05453	58.1
116.06305	0.9
117.07016	25.2
119.04983	0.7
119.08571	5.8
121.02870	1.2
121.06491	1.2
121.10173	2.4
121.25294	0.5
122.03658	1.9
123.04433	3.0
123.08055	0.5
123.11801	0.9
125.05994	4.8
125.09622	0.7
127.55328	0.5
128.06215	3.1
129.07007	11.4
131.04907	1.2
131.08577	3.4
133.06480	6.4
133.10127	2.6
135.04492	0.9
135.05515	0.8
135.08049	0.8
135.11688	1.7
137.05951	3.8
139.03931	2.4
141.05443	2.6
141.07005	1.1
142.07707	0.6
143.08569	2.2
145.06502	2.0
145.10143	3.3
147.04355	0.6
147.08052	0.7
147.11717	3.1
149.05983	0.7
149.13255	1.2
151.07539	2.4
152.06236	0.6
153.01871	1.0
153.05466	41.6
153.06750	1.5
155.07043	3.8
155.08383	1.1
157.06488	0.8
157.10106	2.7
159.08078	0.6
159.11693	3.2
159.86819	0.5
161.06010	0.6
161.09714	0.8
161.13246	1.3
162.03075	0.6
163.03885	0.9
163.14798	0.8
165.05469	2.0
165.06990	2.2
166.07835	2.4
167.03392	1.5
167.07048	25.8
167.08534	1.8
168.00522	0.8
169.06487	1.1
169.10085	1.0
171.04449	0.8
171.07959	0.6
171.11728	1.4
173.13258	2.1
175.03876	1.1
175.14891	0.7
177.05449	4.1
177.06819	0.7
178.06299	0.6
178.07765	1.9
179.07053	2.5
179.08554	1.5
181.04965	2.0
181.06461	1.0
181.10143	1.2
182.07028	0.5
183.02927	4.1
183.06523	6.0
183.08025	0.8
185.05934	0.9
185.09637	0.6
185.13272	1.4
187.14873	0.8
189.16386	1.4
191.06999	1.2
191.08566	1.0
191.14323	0.7
194.07271	6.7
195.08064	3.1
197.06035	1.2
198.06712	0.6
199.03842	1.4
199.14839	1.0
201.16406	1.5
203.03409	1.4
205.06470	1.5
208.08850	0.6
209.09619	6.1
211.07455	1.1
213.05498	1.5
213.16345	1.8
215.17979	0.8
221.05934	0.6
222.06778	2.2
223.07558	8.2
224.08112	0.7
225.05557	1.1
225.09149	1.1
226.09813	0.6
227.03555	0.7
227.07088	1.0
227.10559	0.6
227.17865	0.7
228.07808	0.6
229.19447	1.0
237.09081	10.4
238.09880	14.6
239.06978	3.3
239.10329	0.7
241.04900	0.8
241.08589	1.7
241.12221	0.7
241.19591	2.0
243.06505	0.7
245.04407	0.9
253.08554	5.6
254.09361	10.8
254.11867	0.8
259.05750	0.7
269.11716	100.0
269.22537	3.0
270.12033	2.8
286.04007	1.0
287.05640	13.8
287.09305	3.3
287.12766	74.7
287.19562	3.7
287.23486	8.5
287.26785	0.6
288.05811	0.7
288.09924	0.8
288.13156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
52.63350	0.4
53.03936	1.2
55.01864	0.9
55.05502	1.1
57.07074	0.4
67.01831	0.6
67.05493	1.2
68.99786	5.2
69.03413	1.0
69.07062	1.3
69.28907	2.8
69.29312	0.7
71.04980	0.6
79.05494	1.3
81.03394	0.8
81.07053	3.2
83.04977	0.5
83.08614	0.5
85.02885	0.4
91.05521	1.9
93.07053	1.9
95.04964	2.2
95.08596	2.7
97.06542	0.6
99.04443	0.5
104.51126	0.5
105.03389	34.7
105.07004	3.3
106.03740	0.5
107.08590	2.1
109.06496	0.5
109.10143	1.5
111.04429	1.4
114.65590	0.3
117.06995	0.6
119.08588	3.0
121.02851	0.4
121.10120	1.5
123.04447	0.4
123.11700	0.5
124.01571	1.6
129.07042	0.4
131.08528	1.8
133.10106	1.9
135.08060	0.7
137.05952	0.6
141.05458	6.2
142.07860	0.4
143.08528	1.1
145.06480	0.9
145.10121	2.2
147.04414	4.7
147.11655	1.9
152.01019	1.2
153.01778	0.6
155.04900	1.2
157.10120	1.0
159.11674	1.6
161.05943	0.4
161.13229	0.8
163.07552	0.6
165.06963	0.4
167.03394	100.0
168.03769	0.7
170.02081	3.0
171.04443	0.6
171.11691	1.0
173.05992	0.5
173.13187	1.0
175.11115	0.6
175.14798	0.6
177.09227	0.4
183.02925	1.3
183.05527	0.4
185.13335	0.8
187.14771	0.9
195.08083	1.1
197.05954	0.4
199.03947	0.8
201.05550	0.5
203.03401	0.9
213.05548	0.6
213.16393	1.0
217.05049	0.4
227.07187	0.4
227.10590	1.3
227.18016	0.4
227.45164	0.4
241.04889	0.4
241.08676	0.5
241.19542	0.7
245.04477	0.6
255.10168	0.8
269.04868	0.4
269.18997	0.6
269.22656	1.7
273.07559	0.7
287.05487	9.3
287.09094	2.0
287.12524	0.7
287.16867	0.8
287.20053	3.2
287.23694	4.0
287.26584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
53.03941	1.9
55.01851	0.9
55.05508	0.8
57.07061	1.9
58.06609	0.5
62.06077	0.6
63.00043	0.6
67.01838	0.6
67.05498	0.5
68.00470	0.4
68.99789	5.8
69.07073	0.7
69.36430	1.9
69.36850	1.8
70.06595	0.4
71.04977	0.5
71.08615	1.1
72.08154	6.6
79.05478	0.5
81.03427	0.7
81.07056	1.5
85.06517	0.5
88.07605	0.7
90.09193	5.4
91.05462	1.6
91.09500	0.4
93.07040	1.1
95.04958	2.3
95.08586	1.2
98.98429	0.5
99.04456	0.7
100.84046	0.4
105.03390	41.6
105.07018	0.7
107.08614	1.0
109.10123	1.0
111.04445	0.8
117.07051	0.4
119.04984	0.4
119.08591	0.7
121.10112	0.6
124.01556	1.1
128.06259	0.5
133.06635	0.4
133.10101	0.8
137.02296	0.5
137.05963	0.5
139.03818	0.5
141.05472	5.4
143.08507	0.7
145.10129	0.8
147.04413	5.7
147.11725	0.6
152.01041	1.9
153.01846	1.2
157.10118	0.8
159.11717	0.8
166.46623	0.4
167.03398	100.0
168.03783	1.1
170.02063	2.1
171.11729	0.5
173.05923	0.4
173.13339	0.5
183.02858	1.0
183.05537	0.9
185.13361	0.5
203.03395	0.7
230.24806	0.8
241.19487	1.1
269.19019	0.5
269.22656	0.6
272.05753	1.0
286.31024	21.8
287.05487	10.1
287.08951	2.7
287.12173	0.9
287.20023	1.8
287.23401	0.9
287.31357	11.1
291.33139	0.5
305.01633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Linderone
Peak:m/z	Relative Intensity
54.33233	0.3
55.01862	0.8
55.05506	0.4
62.27406	0.3
62.32721	0.3
67.05511	0.5
68.99787	1.5
69.03448	0.3
69.07051	0.6
70.96304	0.9
71.01342	0.8
79.05482	1.3
80.38897	0.3
81.07050	1.2
84.02092	0.8
91.05479	2.8
93.07027	0.7
95.08584	1.0
99.00803	2.5
103.04810	0.6
103.05462	7.6
105.07010	1.3
107.04950	0.7
107.08578	1.0
109.10136	0.7
112.01572	3.1
119.08559	1.6
121.10161	0.8
127.00275	3.9
127.03889	0.4
129.06944	0.4
131.03931	0.6
131.04927	12.6
131.08569	0.5
132.99170	0.4
133.10144	0.6
135.11740	0.3
137.02296	0.5
140.01068	1.9
143.08594	0.5
145.10135	1.2
147.11711	1.1
149.02367	0.4
154.99747	1.0
155.03394	0.8
157.06340	0.4
157.10065	0.6
159.11679	0.9
168.00537	35.0
171.04509	0.4
173.05951	0.7
173.13321	0.8
175.14784	0.5
181.04936	0.6
183.02882	100.0
184.03203	1.2
185.13208	0.6
186.01593	26.2
189.16212	0.5
191.57368	0.4
192.61832	0.4
195.02983	0.4
199.14874	0.4
201.03911	4.3
213.16321	0.4
215.15964	0.4
235.15395	0.4
241.08478	0.4
245.08130	0.8
269.08072	0.4
269.22604	0.7
272.06818	0.5
287.05701	3.1
287.09119	66.2
287.23495	2.2
288.09470	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	287.091
Annotation	Dihydrooroxylin A
Peak:m/z	Relative Intensity
50.98065	0.4
53.63701	0.4
55.01856	0.5
55.05498	0.6
56.02645	0.8
65.62838	0.5
67.01844	1.8
68.99781	1.7
69.93594	2.7
71.01346	0.5
71.04977	0.5
79.05475	1.0
81.03413	0.6
81.07044	0.7
82.63155	0.4
84.77532	0.5
85.02886	0.5
85.21233	0.6
91.05481	6.3
93.07018	0.6
95.01309	0.5
95.04958	1.2
99.00817	3.2
103.04807	0.7
103.05460	7.8
105.03394	0.6
105.06968	0.6
107.04929	1.3
109.06547	0.6
110.78952	0.5
111.04410	1.4
112.01588	4.5
119.04138	0.7
119.04942	11.7
119.08544	0.6
121.02829	1.0
123.04436	1.5
127.00265	4.1
131.04921	12.2
137.02313	0.5
137.05957	0.6
140.01035	1.6
147.04404	28.6
149.02286	0.8
149.34163	0.5
152.01051	0.5
153.01753	0.9
154.99736	1.0
155.04800	0.4
157.10088	0.7
165.05478	0.7
167.03387	52.0
168.00534	34.7
173.05957	1.1
175.17947	0.5
181.04953	0.6
182.57259	0.4
183.02878	96.5
184.03180	1.0
185.04393	1.0
186.01585	29.3
198.59767	0.4
199.03751	0.6
213.05524	1.0
243.06361	0.6
245.08069	1.3
255.10153	0.9
269.08145	0.8
272.06735	0.7
287.05588	5.4
287.09106	100.0
288.09479	1.6
309.43948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Linderone
Peak:m/z	Relative Intensity
55.01862	0.6
55.05503	0.6
56.02650	0.7
60.32959	0.3
61.03519	0.3
67.05497	0.6
68.99791	1.7
69.03413	0.3
69.07079	0.9
69.42020	0.8
69.42433	1.7
71.01330	0.8
73.15842	0.3
75.22624	0.3
79.05507	1.6
81.07062	1.6
84.02113	0.8
91.05487	2.2
93.07023	1.4
95.01302	0.4
95.04961	0.7
95.08618	1.4
98.21606	0.4
99.00816	3.5
103.05463	8.0
105.03403	0.4
105.07009	2.0
107.04913	0.4
107.08574	1.3
109.08728	0.3
109.10133	1.0
112.01578	4.3
115.05485	0.4
117.07008	0.6
119.08579	1.3
121.02861	0.4
121.10122	0.9
123.08021	0.4
123.11701	0.4
123.79970	0.4
127.00282	4.0
128.06209	0.3
129.07033	0.3
131.04926	13.0
131.08537	0.7
133.06482	0.3
133.10124	0.8
135.08041	0.4
135.11720	0.3
137.02374	0.7
140.01073	1.8
143.08585	0.6
144.61650	0.4
145.06505	0.5
145.10104	1.0
147.04431	0.3
147.07936	0.3
147.11699	0.5
149.02365	0.8
149.13274	0.4
149.23212	0.3
153.07002	0.4
154.99725	0.9
155.03427	0.4
156.02307	0.3
157.10115	0.6
159.11708	1.0
161.13293	0.3
166.02676	0.5
168.00542	35.9
171.04378	0.4
171.11655	0.4
173.05887	0.8
173.13245	0.6
175.14856	0.5
178.91769	0.3
181.05016	0.6
183.02884	100.0
184.03207	0.9
186.01590	29.8
189.16338	0.7
190.92714	0.3
195.02875	0.5
199.03917	0.5
201.03911	1.9
203.03374	0.4
213.05382	0.6
227.06976	0.3
227.17932	0.5
229.04985	0.4
245.04520	0.5
245.08081	1.3
255.09712	0.4
269.19028	0.3
269.22580	0.6
271.06058	0.5
272.06775	1.2
287.05588	4.2
287.09119	64.8
287.20044	1.3
287.23703	2.1
288.09457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.33289	0.1
53.03936	0.2
55.22315	0.1
58.90147	0.1
62.36732	0.1
65.03924	0.2
67.01855	0.3
68.99788	2.3
69.03410	0.3
69.50550	0.7
72.61259	0.1
79.05486	0.6
81.03400	0.4
81.07049	0.1
85.81636	0.1
91.05499	0.2
93.07063	0.1
95.04971	0.3
95.08582	0.2
103.05450	0.2
105.03387	1.0
105.07027	0.2
107.04953	1.2
109.02863	0.6
111.00807	1.5
111.04440	0.4
115.05463	0.2
117.07042	0.2
119.04904	0.1
121.02863	5.8
121.06492	0.1
121.10123	0.1
127.03893	0.3
128.06239	0.2
129.07001	0.4
133.02826	0.8
135.04407	0.4
137.01375	0.2
137.02341	2.2
141.06993	0.2
145.06474	0.5
147.04399	1.3
153.01823	9.3
154.02144	0.2
157.06476	1.3
161.02440	0.1
161.05980	0.3
165.01839	2.7
166.02495	0.1
167.04747	0.1
169.06506	0.2
171.03049	0.2
171.04408	0.8
173.05910	0.1
173.13271	0.1
175.04005	0.2
175.07504	0.1
183.02885	1.5
185.05972	1.1
187.14877	0.1
189.05449	0.3
194.02141	0.1
197.05966	0.2
199.03909	0.2
203.03371	0.2
203.07007	0.2
213.05444	3.0
216.04268	0.2
217.04916	0.2
229.04919	0.4
231.06508	1.2
241.04913	1.4
242.05637	0.2
243.06479	0.3
245.04416	0.1
258.05212	2.1
259.06024	0.7
269.04468	0.4
269.22522	0.2
287.05487	100.0
288.05801	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.50706	0.1
53.03929	0.3
53.36180	0.1
55.01868	0.2
64.89682	0.1
65.03926	0.4
67.01868	0.5
67.05471	0.1
68.99788	2.5
69.03422	0.3
71.26090	0.2
71.26430	0.1
79.05489	0.8
79.05892	0.1
81.03404	0.4
81.07051	0.2
91.05457	0.2
93.06995	0.1
95.04966	0.2
97.02867	0.1
103.05441	0.3
105.03377	1.0
105.06992	0.2
107.04950	1.2
109.02863	0.9
111.00806	1.8
111.04418	0.4
115.05454	0.2
117.06999	0.2
119.04930	0.4
121.02856	7.2
121.03874	0.2
121.06474	0.2
127.03911	0.2
128.06178	0.2
128.20230	0.1
129.06985	0.6
131.04903	0.1
133.02849	0.9
134.03641	0.1
135.04390	0.3
135.08020	0.1
136.07527	0.2
137.02333	2.5
137.41930	0.1
139.05424	0.2
141.06961	0.3
145.02835	0.2
145.06500	0.7
147.04404	1.4
149.05963	0.1
151.03889	0.1
153.01820	11.5
154.02138	0.1
154.83963	0.1
155.06013	0.2
157.06468	1.6
161.02412	0.1
161.05971	0.4
163.03862	0.1
164.87708	0.1
165.01819	3.5
166.02545	0.1
167.08653	0.1
169.06517	0.2
171.02975	0.2
171.04335	0.6
173.05948	0.2
175.04007	0.2
175.07544	0.1
177.05573	0.1
179.03450	0.1
183.02873	1.9
183.04346	0.2
184.05023	0.2
185.05963	1.2
189.05455	0.3
194.02005	0.1
195.08008	0.1
197.05994	0.3
199.03882	0.2
200.10664	0.1
201.05418	0.1
203.03497	0.2
203.07033	0.4
212.04698	0.1
213.03479	0.2
213.05446	3.2
216.04160	0.3
217.04907	0.2
229.04860	0.5
230.05742	0.1
231.06497	1.3
241.04933	1.8
242.05571	0.1
243.06328	0.1
245.04457	0.2
258.05228	2.6
259.05933	0.9
269.04340	0.6
269.12625	0.1
270.04965	0.1
272.02936	0.1
278.08652	0.1
286.04483	0.1
287.05478	100.0
288.05795	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63164	0.1
55.01873	0.1
65.03945	0.4
67.01861	0.6
68.99791	2.6
69.03414	0.3
71.02905	0.3
76.82411	0.1
79.05495	0.9
81.03392	0.4
81.07045	0.3
85.02898	0.2
89.91794	0.1
91.05470	0.4
93.07057	0.2
95.04961	0.4
95.08617	0.2
103.05447	0.4
105.03380	1.1
105.07024	0.4
107.04953	1.4
109.02885	0.8
111.00810	1.6
111.04424	0.4
115.05459	0.2
117.07001	0.2
119.04972	0.3
119.08575	0.3
121.02866	7.8
121.06512	0.2
123.04462	0.1
124.04062	0.1
127.03884	0.3
128.06200	0.2
129.07002	0.5
133.02832	0.9
133.10126	0.2
135.04424	0.3
137.02341	2.1
141.06960	0.4
145.06499	0.8
147.04422	1.6
147.11687	0.2
151.04089	0.1
153.01826	11.0
157.06494	1.6
157.10115	0.2
161.02271	0.2
161.05983	0.3
163.07497	0.1
165.01837	3.7
167.03400	0.1
167.04906	0.1
171.02995	0.2
171.04402	0.9
175.03917	0.2
179.03520	0.2
183.02853	1.9
185.05974	1.3
189.05486	0.3
194.02158	0.2
197.06053	0.3
199.03928	0.3
201.05429	0.1
203.03444	0.3
203.07060	0.3
213.05450	3.7
214.05833	0.2
217.04932	0.3
223.07405	0.1
229.05000	0.5
231.06517	1.1
241.04938	1.7
241.08737	0.2
242.05640	0.1
243.06424	0.1
245.04352	0.1
250.49690	0.1
255.10168	0.2
258.05246	2.3
259.06030	0.8
269.04495	0.4
269.08435	0.1
287.05493	100.0
288.05826	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Cyanidin
Peak:m/z	Relative Intensity
55.05517	0.6
56.46955	0.2
61.96723	0.2
65.03921	0.6
67.01846	0.2
67.05480	1.0
68.99785	2.5
69.03408	0.4
69.07068	1.4
70.84544	0.6
72.11397	0.2
79.05470	1.0
81.07055	1.8
83.08546	0.3
85.10483	0.2
91.05482	0.7
93.07037	1.2
95.04947	0.4
95.08593	2.8
97.06506	0.3
97.10174	0.3
105.03374	1.0
105.07037	1.8
107.04937	1.4
107.08598	1.4
109.02847	0.8
109.10144	1.4
111.00796	1.5
111.04439	0.4
115.05468	0.3
117.06986	0.6
119.08560	2.2
121.02856	6.7
121.10135	1.8
123.11686	0.7
125.09705	0.2
129.07019	0.6
131.04901	0.3
131.08539	0.9
133.02838	0.9
133.10117	1.4
135.04410	0.5
135.11674	0.6
137.02336	2.6
137.05946	0.3
137.13239	0.3
139.11131	0.3
141.06979	0.3
143.08524	0.7
145.06479	0.4
145.10139	1.2
147.04434	1.3
147.11673	1.3
149.13200	0.6
153.01826	10.7
157.06462	1.5
157.10121	1.2
159.11670	2.1
161.05974	0.5
161.13234	1.0
163.03874	0.3
163.14789	0.3
165.01823	3.4
167.06950	0.3
167.08592	0.3
169.06442	0.4
171.04416	0.6
171.11667	0.9
173.05910	0.2
173.13261	1.4
175.03896	0.4
175.14825	1.0
179.14362	0.2
183.02885	1.2
185.05939	1.3
185.13266	1.0
187.14813	0.9
189.05489	0.4
189.16382	0.9
190.17174	0.6
195.08015	0.4
197.06036	0.5
199.03920	0.4
199.14815	1.0
200.09286	1.7
201.16350	0.6
211.14771	0.2
213.05424	3.3
213.16350	1.1
217.15883	0.4
227.10611	0.3
227.17917	0.9
229.04922	0.5
229.19507	1.8
231.06487	1.0
241.04979	1.3
241.19475	0.4
243.20998	0.3
257.22702	0.3
258.05240	2.2
259.06046	0.8
259.24075	0.3
269.04410	0.5
269.22626	3.0
287.05487	100.0
287.23648	7.1
288.05707	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01862	1.3
55.05519	4.4
56.05015	0.9
56.96569	8.4
57.03452	4.6
57.03671	0.9
57.07058	1.1
59.04992	3.6
61.02932	7.0
67.05508	1.7
68.05025	1.7
69.03424	7.1
69.71745	5.3
70.03734	0.9
70.06593	42.7
71.04987	5.5
71.06954	1.3
73.02909	3.0
73.06544	2.1
79.05489	2.0
80.05016	2.8
81.03417	4.6
81.07053	10.2
82.05305	1.0
83.04974	1.2
83.06100	8.0
85.02908	12.9
85.06548	1.5
87.04472	1.6
88.03982	1.2
93.04542	6.3
95.06096	10.7
96.04485	3.0
97.02901	8.3
98.06010	0.9
98.97574	8.4
99.04461	2.1
101.00887	1.7
102.96879	1.0
106.02880	5.8
107.06078	2.5
109.02879	4.7
109.06548	1.0
110.07167	78.0
112.03976	1.1
112.07604	35.3
112.08743	2.0
113.07097	3.1
113.07834	0.9
114.07458	2.0
116.98629	6.9
119.01899	4.6
120.97911	1.3
121.07663	1.1
124.03953	100.0
124.07584	6.8
124.08467	1.1
125.02260	0.8
125.04302	3.0
127.03928	7.5
128.02246	1.2
128.04253	2.5
128.98650	2.5
131.01904	0.9
134.99643	3.2
135.04378	1.4
137.02901	1.2
137.06013	1.0
138.05473	1.6
140.07072	21.4
142.06953	0.9
143.00146	1.8
143.01869	5.1
146.99593	1.3
147.04408	1.4
153.01772	2.4
155.01863	1.2
155.04610	5.0
156.06546	1.4
156.07671	10.3
157.09698	1.8
158.99643	2.4
160.00618	1.2
160.03830	1.4
160.06516	1.6
160.56609	1.1
161.01434	1.4
161.02936	11.1
161.04504	1.7
162.05440	2.2
163.02702	1.8
163.04015	4.4
163.12305	45.1
164.05151	2.8
164.07092	1.2
164.12688	1.2
166.06145	2.1
166.08568	1.0
166.55417	1.2
169.04402	3.6
170.05161	2.6
171.04576	0.8
173.03078	0.8
175.02733	0.9
177.00661	4.2
180.55135	1.1
181.04984	2.1
182.03363	1.8
182.05246	2.0
185.09238	2.1
189.00737	1.6
189.04247	1.4
190.13420	5.6
199.04388	0.9
201.00690	1.3
203.03796	1.8
203.07753	0.8
205.03651	0.9
205.07272	3.7
208.14432	10.7
210.15999	1.0
212.15282	0.9
219.01649	1.9
219.11217	2.3
227.06772	2.9
232.96414	1.0
236.13974	6.0
237.02760	3.7
240.09944	0.9
240.12357	0.9
240.17091	5.8
241.15367	0.9
242.07173	1.0
254.14975	16.1
255.01711	1.0
268.08148	1.6
286.09229	22.6
286.17593	51.8
287.05597	4.2
287.11057	29.8
287.17883	2.8
288.01807	1.3
291.07550	2.4
309.05273	1.1
309.08591	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	286.0921
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
54.74827	0.2
57.03436	0.2
62.85241	0.2
69.03419	0.8
70.95354	0.5
73.02902	0.2
78.03444	1.6
78.46957	0.2
80.05014	3.2
81.03410	0.6
85.02910	1.8
93.66769	0.2
96.04500	2.8
97.02890	0.4
99.04472	0.4
106.02908	6.3
109.02886	0.9
116.16615	0.2
121.89090	0.2
124.03952	100.0
125.04276	0.8
127.03900	0.9
142.68141	0.2
250.07057	2.2
268.08261	1.1
286.09210	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.0
70.66444	0.7
73.02937	0.5
78.03457	2.5
80.05021	3.5
81.03410	1.2
85.02901	3.9
89.77328	0.2
94.93878	0.3
96.04502	2.5
97.02892	1.2
99.04463	0.7
106.02917	13.6
109.02885	1.8
124.03957	100.0
125.04317	0.9
127.03922	1.7
157.10880	0.3
169.14569	0.3
244.75575	0.3
250.07126	5.4
268.08167	3.1
286.09229	41.5
287.09601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01868	0.3
56.96555	1.1
57.03427	0.6
59.04989	0.4
61.02928	1.3
69.03429	3.5
69.07069	0.4
70.06584	0.9
71.04987	0.5
71.47204	0.4
73.02914	0.8
78.03443	0.8
79.05481	0.2
80.05016	2.9
81.03424	1.6
81.07059	0.4
83.04958	0.3
83.06110	0.6
84.04505	0.2
85.02902	5.8
87.04432	0.5
91.03947	0.4
91.93189	0.2
94.18161	0.2
95.06069	0.4
96.04490	2.9
97.02891	2.5
98.97570	0.9
98.98462	0.2
99.04471	0.6
106.02921	3.0
106.06548	28.1
107.06866	0.4
109.02871	1.2
109.05138	0.4
110.07168	2.4
112.07598	0.7
116.98620	0.6
124.03951	100.0
124.07583	31.7
125.04274	1.5
125.07949	0.3
126.07755	0.3
127.03899	1.8
127.06065	0.2
128.20508	0.2
128.98590	0.5
134.06096	0.3
134.99670	0.3
135.04427	0.2
137.04584	0.8
138.05470	0.4
138.07712	0.3
140.07033	0.5
145.04950	0.9
146.99648	0.3
153.01834	0.5
154.02229	0.4
154.07208	1.8
156.07713	0.2
158.99614	0.4
161.04604	0.2
162.05493	0.3
163.03883	0.3
163.12302	1.0
164.07016	0.4
164.08252	0.2
173.07108	0.3
174.99672	0.2
177.00716	0.6
185.09128	0.3
219.01659	0.5
222.94669	0.2
227.06882	0.2
237.02705	0.2
250.07089	0.8
254.14954	0.4
256.84558	0.2
268.08139	0.7
286.09216	21.5
286.12701	1.4
286.17490	1.1
287.05600	1.7
287.11157	1.9
309.08600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05511	10.6
57.03427	2.1
61.28991	1.0
65.03922	1.2
67.05505	24.1
69.07066	9.5
69.16367	7.1
69.16801	5.9
79.05489	15.4
81.03398	4.3
81.07054	56.0
83.04987	1.3
83.08616	7.4
84.00897	1.1
85.02895	3.4
88.19263	1.1
91.05470	13.9
93.07040	30.8
95.04963	2.8
95.08603	57.4
97.10147	7.4
98.21485	2.3
105.07026	22.0
107.08595	27.0
109.06576	1.2
109.10152	36.3
111.11731	1.4
119.08573	16.9
121.10144	19.5
123.11685	15.0
131.04961	1.3
131.08620	1.9
133.10121	18.4
134.22760	1.2
135.11693	48.0
137.13243	3.3
147.11685	26.3
149.12059	1.5
149.13257	24.8
151.14827	3.9
159.11699	3.1
161.11995	2.2
161.13254	29.0
163.14813	10.2
165.16434	1.3
173.13217	1.0
175.14813	21.6
177.14992	1.1
177.16386	4.7
181.04984	8.4
187.14807	1.2
189.16371	23.9
193.12198	3.6
201.16345	2.9
203.17963	20.7
204.18375	1.6
211.13303	2.0
213.48009	1.3
215.17882	5.9
229.19533	4.7
243.20973	1.1
270.05219	4.3
277.03476	1.1
285.07901	2.0
285.11209	3.7
285.25760	100.0
286.26025	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	285.2211
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05507	0.9
55.34349	0.3
60.01051	0.3
61.11438	0.3
66.19316	0.3
67.05499	1.0
68.89397	0.3
69.07056	0.6
69.27354	0.3
69.32542	3.1
75.07857	0.3
79.05493	0.6
83.15471	0.3
85.09901	0.3
86.91846	0.3
91.05466	2.4
93.07045	1.3
95.08598	1.4
105.07034	4.1
107.08590	1.4
109.10151	0.7
117.07001	1.7
119.08563	4.8
121.10130	1.1
130.07788	1.3
131.04897	0.7
131.08577	1.8
132.09358	0.5
133.10124	4.5
142.07707	0.6
143.08527	0.4
144.09343	0.5
145.10120	5.5
146.10846	1.2
147.11679	100.0
148.12035	1.8
155.08521	0.4
156.09338	1.4
157.10165	1.9
157.11324	0.3
159.11665	2.2
161.13309	0.8
169.10162	0.8
170.10860	0.9
171.11754	2.0
173.13272	2.0
175.14815	0.4
177.12704	0.4
181.04944	8.1
181.10022	0.4
182.10887	0.6
183.11664	1.5
184.12477	1.0
185.13246	2.0
187.14847	0.5
195.11652	0.4
197.13271	2.5
199.14828	1.6
209.13268	1.0
211.14810	1.0
222.24094	0.3
225.16277	0.5
237.16359	2.2
244.63142	0.3
245.32036	0.3
252.18747	2.0
267.20975	1.9
285.07907	0.6
285.11203	3.0
285.22116	15.7
294.57236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03959	0.4
55.05509	1.5
57.03443	0.5
57.07073	0.6
65.03938	0.3
67.05513	2.1
69.07058	1.5
69.43997	2.0
71.04982	0.3
71.08638	0.2
79.01866	0.2
79.05492	1.8
81.03421	0.9
81.07061	2.0
83.04975	0.5
83.08614	0.7
85.02903	0.8
85.06559	0.5
91.05473	2.9
91.68028	0.3
93.03397	0.3
93.07039	2.1
95.04964	1.5
95.08605	3.0
103.05460	2.4
105.03382	0.9
105.07024	4.2
107.04984	0.4
107.08588	2.3
109.06519	0.3
109.10134	1.4
111.04437	0.6
111.08085	0.4
115.05434	0.5
116.06242	0.3
117.06969	1.4
117.71701	0.2
117.72604	0.2
119.08570	4.7
121.02789	0.3
121.10148	1.9
123.04367	0.3
123.11761	0.5
125.05974	0.5
126.44505	0.2
128.06253	0.3
129.06972	1.5
130.07799	0.9
131.04924	4.5
131.08557	2.3
132.09387	0.4
133.10114	4.2
135.11696	0.4
138.03094	1.7
141.06952	0.5
142.07738	0.6
143.08569	1.8
144.09311	0.3
145.10112	5.6
146.10884	0.9
147.11676	100.0
148.11990	1.8
149.09760	0.2
149.13206	0.2
151.03873	0.4
153.01859	0.5
153.05428	0.3
154.07732	0.3
155.08542	0.9
156.09328	1.2
157.10146	2.1
158.10970	0.6
159.11679	3.2
161.13297	1.1
163.11180	0.4
165.07045	0.3
165.12825	0.5
166.02586	1.2
167.08514	0.4
168.05815	0.2
168.09377	0.5
169.10110	4.9
170.10870	0.9
171.11670	2.7
173.13240	1.8
175.11142	0.3
181.04944	40.1
182.05289	1.0
182.10887	0.7
183.11661	2.2
184.03629	1.5
184.12393	0.7
185.13260	2.3
187.14787	0.4
193.12184	0.6
195.11719	0.8
196.12457	0.3
197.13261	3.0
199.14777	2.2
201.16476	0.4
207.06529	0.4
207.53387	0.3
209.13260	0.4
210.06880	0.3
211.15010	1.2
213.16386	0.6
223.14790	0.6
224.15736	0.2
225.16277	0.4
237.16399	2.0
239.17928	6.3
240.18359	0.4
242.05743	1.6
252.18753	2.2
253.08609	0.5
267.20984	2.2
269.04449	0.4
270.05249	6.8
270.08182	0.2
271.05469	0.5
285.04996	0.2
285.07523	9.6
285.11148	11.6
285.18442	4.6
285.22073	18.1
285.25192	0.7
285.33347	0.3
286.07977	0.5
286.11487	0.5
286.19254	0.3
286.22366	0.4
286.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03942	0.4
55.01865	0.4
55.05501	1.2
57.03426	0.3
57.07066	0.4
65.03927	0.6
65.72773	0.3
67.05499	1.8
69.07067	0.8
71.51424	0.3
79.05505	1.4
81.03407	0.9
81.07059	2.0
83.08639	0.7
85.02898	0.5
85.06515	0.5
91.05467	3.3
93.07043	1.9
95.04969	0.8
95.08600	2.4
103.05464	2.7
105.03375	0.5
105.07027	5.0
106.21364	0.3
107.04961	0.4
107.08593	2.5
109.06509	0.3
109.10166	1.3
111.04485	0.4
111.08067	0.5
115.05317	0.3
117.06994	1.4
119.08578	4.8
121.02911	0.5
121.06487	0.4
121.10115	1.5
123.04433	0.4
123.08058	0.3
123.11732	0.4
125.06004	0.8
128.06241	0.3
129.07027	0.8
130.07788	1.1
131.04930	4.2
131.08585	2.0
133.10117	4.6
135.11670	0.6
138.03099	1.8
141.06915	0.4
142.07799	0.5
143.08539	0.8
144.09312	0.6
145.09053	0.4
145.10123	5.0
146.10899	0.7
147.11678	100.0
148.11975	1.5
148.53738	0.2
151.03871	0.5
153.05414	0.4
155.08569	0.6
156.09335	1.1
157.10118	1.6
158.10973	0.4
159.11679	3.3
161.05972	0.3
161.13280	1.1
162.09708	0.3
163.11186	0.4
165.07027	0.3
165.12746	0.5
166.02678	1.3
168.09454	0.3
169.10153	1.3
170.10899	1.0
171.11690	2.3
172.12347	0.3
173.13239	2.1
175.14876	0.4
181.04944	43.6
182.05290	1.2
183.11688	1.6
184.03737	1.8
184.12485	1.1
185.13290	2.1
187.14844	0.6
193.12300	0.4
195.11617	0.4
196.12453	0.5
197.13254	2.9
199.05917	0.3
199.14809	3.0
201.16328	0.3
207.06413	0.3
211.14851	1.1
213.16376	0.9
223.14746	0.3
225.09090	0.6
225.16389	0.7
237.16370	1.7
239.17894	1.3
242.05705	1.0
243.09966	0.4
252.18646	2.0
253.08560	0.9
267.21085	1.7
270.05197	2.1
285.07602	4.7
285.11194	12.9
285.22107	19.1
285.25244	0.9
286.08255	0.4
286.11584	0.8
286.22250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05508	8.7
57.03436	12.7
57.07066	1.6
57.16034	0.6
59.05008	1.1
59.81777	0.7
65.03934	1.1
65.31451	0.6
67.05502	16.9
68.78111	0.6
69.03421	1.6
69.07070	7.6
71.04973	2.9
71.40614	1.1
71.40955	0.7
79.05494	13.4
79.75052	0.7
81.03416	20.7
81.07052	26.1
81.07533	1.3
83.04974	6.7
83.08613	10.1
85.02903	21.4
85.06529	2.3
91.05475	17.3
93.07044	15.7
95.04968	12.5
95.08604	32.5
97.02872	1.1
97.06525	2.0
97.10137	2.3
98.33285	0.6
98.98463	1.2
99.08080	1.1
103.05447	7.5
105.03371	0.8
105.07028	17.0
107.04974	3.9
107.08587	16.1
109.06511	2.3
109.09482	1.1
109.10152	15.3
111.04433	2.1
111.08096	5.0
113.06012	1.8
115.05442	1.4
116.06318	0.7
117.07029	2.1
119.08578	19.2
121.06569	0.7
121.10140	16.0
123.08026	2.5
123.11694	5.2
125.05972	1.3
129.06992	3.8
131.04924	9.7
131.08566	6.2
133.06454	1.3
133.10127	14.9
135.07970	0.7
135.11685	5.7
137.09569	0.9
137.13242	1.1
138.03096	1.8
143.08531	2.6
145.10109	5.5
147.08043	1.4
147.11691	14.3
149.09628	2.6
149.13240	5.4
151.03865	0.9
151.11073	0.8
155.08524	1.4
157.10133	7.8
159.11708	5.3
161.06023	0.9
161.09625	0.7
161.13240	6.2
163.14795	4.0
165.07043	0.9
165.12733	2.0
166.02579	3.6
169.10117	2.2
171.11699	2.6
173.13284	3.3
175.11220	6.8
175.14830	18.5
177.16367	8.7
181.04945	100.0
182.05283	1.8
183.11655	1.7
184.03688	4.1
185.13257	2.6
187.14810	1.5
189.16383	9.5
193.06300	0.7
193.12233	22.7
197.13231	1.6
199.14836	2.7
201.16408	1.8
203.17926	2.5
211.13249	15.5
211.14833	1.3
213.16302	0.9
215.17906	2.8
225.05554	0.7
225.09070	0.9
225.16306	1.3
227.17961	4.0
229.19511	1.3
239.17984	1.1
241.19499	1.0
242.05733	1.7
253.08591	2.1
257.22592	1.7
267.21021	3.5
269.04468	1.6
270.05319	4.4
285.04391	1.3
285.07623	9.7
285.11197	45.3
285.16812	13.0
285.22150	15.4
285.25745	61.0
286.11475	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01871	8.2
55.05510	31.3
57.03434	52.6
59.05019	2.3
65.03926	4.0
67.05501	45.4
68.99786	2.3
69.03421	5.2
69.07055	12.1
69.45530	3.1
69.45937	13.4
71.01357	2.1
71.04995	10.7
79.05490	46.0
81.02934	5.1
81.03415	100.0
81.07050	59.6
83.04986	22.1
83.08608	29.2
85.02902	92.2
85.06560	3.3
91.04912	3.0
91.05476	56.1
93.07040	32.1
95.04965	42.0
95.08595	26.2
97.02886	5.0
97.06527	7.3
97.10139	2.3
98.20727	2.1
99.08107	3.3
105.04444	2.7
105.06400	3.7
105.07034	40.0
107.04963	12.5
107.08590	12.8
109.06500	13.0
109.10173	9.1
111.04440	4.4
111.08071	21.6
113.05983	6.4
113.07035	2.4
115.05480	2.8
116.35197	1.9
117.06967	2.8
119.08578	28.5
121.02850	6.6
121.06448	4.2
121.10146	19.7
123.08089	6.4
123.11700	3.7
128.06194	2.4
129.07005	13.7
131.04883	1.9
131.08560	15.5
131.40529	2.4
133.06499	5.9
133.10126	17.9
135.04414	5.2
137.09627	4.3
141.01944	2.1
142.07768	2.9
145.02858	2.6
145.10126	4.4
147.04454	2.6
147.08058	3.8
147.11690	31.1
149.09593	10.9
157.10110	21.3
163.03883	9.8
163.11215	3.0
165.06978	4.4
165.12836	5.8
175.11189	29.1
181.04932	13.7
191.03384	47.3
193.12236	86.1
197.05952	2.3
207.83871	2.1
211.13271	53.5
221.05969	2.3
225.08998	5.4
229.04971	6.3
243.06548	8.6
253.08571	5.1
257.04449	4.4
267.15863	8.5
285.04092	14.1
285.06915	3.2
285.11270	9.2
285.16937	67.1
285.21912	3.5
286.04395	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	285.1692
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.10722	1.3
53.03936	3.8
53.64153	1.3
55.01859	5.2
55.05510	25.6
57.03433	50.9
57.37778	1.3
59.04993	2.5
67.05499	38.1
69.03424	8.1
69.07067	8.9
71.04978	11.8
79.05081	2.2
79.05492	33.8
81.03413	91.9
81.06601	2.8
81.07050	45.6
83.04976	19.9
83.08617	35.1
85.02900	99.3
85.06533	4.3
91.05474	43.8
91.14050	1.4
93.07034	28.0
95.04384	2.1
95.04963	36.1
95.08594	17.7
97.02883	5.0
97.06537	6.5
97.10152	5.3
99.08089	1.8
103.05418	2.1
105.07027	28.9
107.04914	5.8
107.08585	12.1
109.06518	8.2
109.10128	7.5
111.04417	3.6
111.07395	1.7
111.08076	20.6
113.06020	6.3
115.05450	3.0
117.07019	3.1
119.04905	1.6
119.08576	30.5
121.02838	1.7
121.06490	1.8
121.10126	16.4
123.08046	4.8
123.11693	4.9
125.09583	1.5
129.06995	14.7
131.08560	18.1
133.06451	3.2
133.10115	15.2
135.11551	1.7
137.09619	2.7
142.07770	4.7
145.10124	4.2
147.08022	4.2
147.11667	28.1
149.09607	10.4
157.10136	21.5
165.06929	1.7
165.12776	6.7
171.11723	2.0
173.13277	1.7
175.11188	30.9
181.04953	7.6
193.06415	2.4
193.12228	100.0
194.12640	2.3
210.06801	1.4
211.13280	72.0
221.06010	3.1
225.08945	1.9
227.17914	1.3
229.14317	1.4
241.04994	1.5
253.08505	4.6
256.21796	1.3
285.07623	5.3
285.11209	6.7
285.16928	57.0
285.22009	3.3
286.17368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01860	3.8
55.05507	27.8
57.03169	2.4
57.03434	41.8
60.41727	1.8
63.00013	2.7
65.03910	2.8
66.33342	1.8
67.05498	37.9
68.99752	3.0
69.03421	9.6
69.07064	12.5
70.06574	6.0
70.63442	3.2
70.63778	4.6
71.04986	12.4
79.05491	35.7
81.03413	100.0
81.06592	4.1
81.07047	49.0
83.04978	20.9
83.08145	3.4
83.08613	33.4
85.02902	83.3
85.06527	5.6
91.05475	51.8
93.07039	25.0
95.04968	40.6
95.08065	2.4
95.08602	23.1
97.02871	3.1
97.06523	6.9
97.10152	2.9
99.08101	3.4
103.05393	2.6
105.07031	34.8
107.04939	9.2
107.08586	12.5
109.06509	8.8
109.10126	3.9
111.04383	4.9
111.08076	18.6
113.05997	6.4
113.07143	4.7
115.05461	2.4
117.06991	3.8
119.08557	30.7
121.02880	3.7
121.06470	2.8
121.10146	17.4
123.08027	5.8
123.11706	4.3
128.06219	3.6
129.06989	13.2
131.04915	3.8
131.08559	16.1
133.06514	3.9
133.10109	14.1
137.06010	2.5
137.09607	3.5
142.07802	4.8
145.06514	2.2
147.08029	4.8
147.11676	23.5
149.09602	12.5
155.04927	3.1
157.10117	20.0
161.05986	4.4
165.01787	2.5
165.06995	4.4
165.12805	7.7
173.05962	2.8
175.11191	27.3
181.04927	27.3
187.03859	2.4
193.06506	2.5
193.12228	88.5
201.05452	7.3
203.14111	2.6
210.06728	3.5
211.13277	56.8
213.05481	2.0
221.06038	4.1
225.09076	6.6
229.04948	16.5
229.14343	2.7
239.07086	3.3
239.11707	3.2
253.08568	8.2
257.04388	13.5
267.15900	7.2
285.03934	52.5
285.07712	4.5
285.11133	30.7
285.16946	65.3
285.21790	2.5
286.04398	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	285.1695
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03923	6.6
55.01866	9.2
55.05508	31.8
57.03163	3.9
57.03432	61.1
57.07066	3.5
59.04985	9.8
63.00026	2.8
65.03929	4.0
67.05182	4.2
67.05505	52.8
67.46969	2.7
69.03423	10.8
69.07066	22.5
71.04989	12.5
71.51367	5.6
72.26660	2.4
79.05079	3.2
79.05497	42.6
81.03419	84.6
81.07056	60.4
83.04976	20.4
83.08618	29.2
85.02904	100.0
85.06509	6.7
91.05474	54.3
93.07047	38.2
95.04956	40.7
95.08606	35.9
97.02876	10.0
97.06521	16.5
97.10169	4.5
103.05460	8.4
105.07025	50.5
107.04945	14.7
107.08585	17.7
109.02901	4.5
109.06513	7.6
109.10155	20.9
111.04428	6.8
111.08082	21.7
113.06020	6.5
115.05465	3.8
117.06981	4.5
119.08574	43.3
121.02860	11.0
121.10136	25.5
123.08073	26.2
123.11703	9.1
128.06178	4.4
129.07010	16.3
131.04915	10.5
131.08583	18.2
133.06459	5.7
133.10141	17.0
135.08026	3.0
135.11668	3.8
137.09607	9.2
138.03123	4.1
139.11186	3.2
141.06972	6.0
142.07742	5.1
143.08478	5.1
145.10124	20.3
147.04390	10.1
147.08044	7.3
147.11676	30.4
149.09615	9.3
149.13367	3.0
152.11482	3.0
153.01840	2.9
153.06938	6.2
155.08537	3.5
157.10112	29.8
159.11610	6.7
161.09515	4.1
163.11197	3.0
165.06985	14.7
165.09134	5.5
165.12761	6.2
169.10211	3.9
173.13162	4.5
175.03949	16.1
175.11171	21.1
179.08583	2.7
181.04965	92.3
181.06454	5.1
182.07126	3.5
183.07980	3.2
183.11700	3.8
187.14870	2.9
193.06482	6.7
193.12245	79.7
197.05957	10.5
197.13228	4.6
199.14774	7.3
210.06769	6.1
211.07533	7.9
211.13275	63.9
213.05492	25.5
215.06984	3.8
221.05923	11.4
225.05438	6.6
225.09145	9.4
225.16406	2.8
227.06956	6.3
229.08765	2.7
238.40079	2.6
239.07031	15.0
241.04890	6.3
242.05740	6.5
243.06544	3.4
253.08594	21.1
257.08020	5.0
267.06613	13.5
267.21024	3.4
270.05090	7.3
285.04367	5.4
285.07529	40.7
285.11163	46.3
285.13901	6.1
285.16772	45.0
285.21695	19.0
285.29825	4.6
286.08282	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85619	1.4
53.00045	1.6
53.03932	6.7
55.01854	6.3
55.05509	33.6
57.03434	54.0
59.04985	2.5
63.00019	3.4
67.05504	43.3
69.03076	1.6
69.03425	9.1
69.07063	15.7
69.73818	9.6
71.04987	15.1
76.80058	1.5
79.05489	41.0
81.03415	96.3
81.07053	54.1
83.04565	1.8
83.04975	21.0
83.08163	2.6
83.08614	34.6
85.02900	95.9
85.06549	7.9
85.56288	1.6
87.84628	1.5
91.05477	47.7
93.06488	2.5
93.07037	34.7
95.04388	2.5
95.04962	45.1
95.08611	25.4
97.02854	7.0
97.06523	10.3
97.10157	5.1
98.21432	3.2
98.98511	1.7
99.08099	3.4
103.05472	4.0
105.07026	46.5
107.04962	10.3
107.07990	1.9
107.08590	18.5
109.06524	8.7
109.10152	9.4
111.04388	6.8
111.08073	22.6
113.05997	6.8
115.05424	4.5
117.07015	2.9
119.04928	2.1
119.08575	36.3
121.02853	2.9
121.06461	2.6
121.10133	18.6
123.07996	4.8
123.11670	6.4
125.05933	2.2
129.07004	15.5
131.04912	5.2
131.08563	20.8
133.06447	4.4
133.10123	18.6
135.11659	3.8
137.09601	4.3
141.07001	2.7
142.07730	4.0
143.08519	2.5
145.10098	10.3
147.08081	3.5
147.11682	29.4
149.09599	12.6
151.11176	1.6
152.77585	1.5
153.01740	4.7
155.08470	2.4
157.10133	24.6
159.11641	6.1
159.22865	1.7
160.07532	5.0
161.05943	1.8
161.13231	2.7
163.11150	2.3
165.07013	4.4
165.12691	7.7
166.02574	2.6
170.05907	2.2
171.11736	3.8
173.13223	2.7
175.11191	30.9
175.14801	3.1
181.03426	3.3
181.04961	46.5
181.06512	3.8
181.08470	2.7
182.07146	1.7
183.11624	2.3
185.13138	2.6
187.08606	4.4
187.14799	2.6
189.00438	1.6
193.06407	3.4
193.12233	100.0
194.12523	3.3
197.13170	2.0
199.02261	1.9
199.14738	2.8
201.16350	1.9
210.06706	3.8
211.07457	3.0
211.13272	69.4
212.13351	1.9
215.08191	10.9
221.05786	4.5
225.09143	9.7
238.06081	1.9
239.06870	2.0
240.13846	3.0
241.19240	2.4
242.05759	3.9
253.08528	9.7
267.06427	1.9
267.20938	4.2
270.05252	11.7
270.07837	2.3
285.07492	24.6
285.11133	22.9
285.16870	56.1
285.21997	14.1
285.25372	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
53.15602	1.2
55.05507	9.5
57.03429	19.1
57.07076	1.2
59.96766	1.1
62.27219	1.3
62.86251	1.3
67.05505	16.8
69.07061	4.2
71.04984	4.1
77.57407	1.2
79.05486	11.0
81.03416	27.0
81.07053	18.5
83.04979	7.5
83.08607	11.4
85.02903	27.9
91.05474	16.2
93.07059	11.3
95.04970	15.5
95.08582	6.3
97.06537	2.6
97.10197	1.8
101.79559	1.2
103.05453	4.5
105.07021	13.9
107.04966	1.9
107.08582	3.8
109.06528	3.1
109.10130	2.8
111.04442	2.0
111.08074	8.4
113.06017	2.5
117.07014	1.7
119.08572	9.4
121.10138	5.1
123.11671	2.2
129.06987	7.1
131.04910	11.0
131.08548	6.0
133.10120	7.9
138.03133	5.0
147.07974	1.4
147.11691	10.4
149.09631	3.9
151.03969	1.6
157.10106	8.8
165.12752	2.6
166.02658	2.4
175.11172	12.6
181.04950	100.0
182.05254	1.6
184.03702	4.2
193.12228	33.3
211.13255	21.8
211.15083	2.2
225.09087	1.6
243.10225	1.6
270.05185	3.1
285.07602	6.0
285.11227	26.4
285.16913	21.5
285.22089	2.3
285.25876	1.4
285.29529	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01872	2.8
55.05508	19.1
57.03436	37.8
57.07064	1.5
59.04974	1.5
59.89732	1.4
64.51146	1.3
65.03960	1.3
67.05505	30.5
69.03421	4.2
69.07063	6.9
71.04986	6.4
79.05488	28.3
81.02932	3.3
81.03414	60.0
81.07055	39.7
83.04974	13.8
83.08618	20.9
85.02905	57.1
85.06509	3.2
91.05480	35.1
93.07040	19.1
95.04957	28.6
95.08607	15.0
97.02903	3.1
97.06510	4.1
97.10160	3.7
103.05471	7.1
105.07025	27.7
107.04962	5.5
107.08596	9.1
109.06514	6.7
109.10169	5.2
111.04441	4.2
111.08080	13.6
113.06012	4.9
119.08578	22.6
121.10123	11.9
123.04458	1.8
123.08095	3.5
123.11716	3.5
125.05996	2.1
125.09647	1.6
129.06174	1.4
129.06958	7.7
131.04921	10.1
131.08563	12.7
133.06506	2.5
133.10129	10.2
137.09637	2.9
138.03094	5.9
142.07791	2.3
145.10135	2.7
147.08061	3.4
147.11676	22.2
149.09641	4.6
153.17415	1.4
157.10115	14.9
163.11240	1.4
165.12820	3.3
166.02614	3.8
175.11174	16.0
181.04945	100.0
182.05341	2.6
184.03711	4.7
193.12238	62.1
211.13278	45.5
217.40143	1.8
229.19218	2.3
267.15906	1.7
270.62610	1.7
284.18945	1.5
285.07922	1.9
285.11246	24.4
285.16949	42.1
285.21912	1.8
285.25714	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	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01872	4.7
55.05499	3.3
57.03428	5.7
65.03929	2.5
67.05495	3.3
69.03408	4.2
70.06583	8.2
71.05001	2.9
71.51231	3.0
75.04454	2.4
79.05478	10.0
81.03418	4.9
81.07037	5.8
81.21989	1.7
83.04973	4.9
85.02884	2.0
91.05473	20.5
93.07048	5.0
95.04959	4.8
95.08597	5.9
97.02828	1.7
103.05465	6.1
105.03425	3.9
105.07033	21.1
105.54248	1.7
106.04193	2.7
107.04960	13.5
109.02889	2.1
109.06538	5.0
113.07139	5.2
113.07890	2.1
115.05491	4.3
119.04935	27.1
121.02886	2.6
121.06469	10.2
121.10150	4.0
123.04417	3.4
123.08063	4.0
123.11693	2.3
124.03986	4.4
125.02322	3.2
125.05997	3.6
127.03926	3.6
131.04936	4.7
133.06494	16.8
134.03616	6.8
135.04411	9.7
135.08026	2.7
136.05190	5.2
137.06013	3.9
138.03079	2.5
139.11099	2.1
140.04672	10.8
147.04446	8.6
149.05992	16.5
151.07532	15.2
153.01891	2.1
153.05455	100.0
161.05974	42.4
163.03957	2.6
165.05484	2.0
165.06960	3.5
167.07054	21.0
167.10692	3.6
168.07811	76.4
175.07585	2.5
177.05591	3.4
179.07005	6.5
181.04962	30.3
181.08574	4.8
191.03351	12.0
193.08582	33.2
193.10315	2.1
196.05482	2.5
196.07291	72.8
197.05870	1.9
205.24062	1.6
209.08087	6.4
210.06841	2.8
210.08783	2.7
211.09660	50.1
221.05972	4.0
225.09106	6.2
239.07036	2.0
243.06645	2.7
253.08537	8.3
267.11230	1.7
285.07666	7.9
285.11346	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.13694	1.0
55.01870	2.0
55.05318	0.8
55.05515	9.2
57.03439	20.0
57.07062	1.1
65.03946	1.5
67.05505	16.0
69.03416	3.0
69.07080	5.8
70.56995	3.5
71.04977	4.5
79.05492	15.6
81.03419	36.6
81.07055	17.1
83.04975	6.7
83.05402	1.0
83.08613	13.0
85.02904	33.8
85.06546	1.2
91.05476	18.5
93.07038	10.7
95.04974	19.1
95.08603	8.6
97.02869	1.7
97.06520	2.5
97.10161	1.7
103.05450	5.6
105.07034	16.5
107.04942	3.8
107.08624	5.6
109.06541	2.7
109.10176	3.4
111.04429	2.8
111.08087	7.9
113.06001	3.2
115.05400	1.2
119.08571	9.6
121.02800	1.3
121.06525	1.3
121.10143	8.1
123.11745	1.2
125.06019	1.9
126.84772	0.9
129.06984	7.7
131.04900	8.9
131.08582	5.2
133.06416	1.3
133.10097	6.9
138.03110	3.3
142.07793	1.7
145.10114	1.6
147.07980	1.6
147.11691	11.8
149.09644	3.4
151.03915	1.3
151.07503	1.0
157.10081	9.0
165.12752	2.4
166.02631	3.5
171.01398	4.7
175.11180	10.8
181.04950	100.0
182.05234	1.7
184.03618	5.1
193.12234	29.5
208.65335	1.1
211.13260	22.6
242.05827	1.6
243.40625	1.1
270.05191	3.8
285.07623	8.3
285.11224	26.5
285.16855	21.1
285.21872	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	285.1118
Annotation	FLAVOKAWAIN B
Peak:m/z	Relative Intensity
52.03153	0.2
53.03939	0.5
60.01677	0.2
61.18081	0.2
63.02370	0.2
65.03919	0.8
66.92587	0.2
68.99778	0.3
69.03402	0.5
69.75995	0.3
69.76409	0.8
79.05486	0.6
79.60960	0.2
80.02605	0.7
81.03413	0.5
83.04968	0.3
91.05492	1.0
93.03377	0.8
95.01316	0.8
95.04967	3.1
97.06523	0.4
103.05460	7.2
107.04945	0.3
108.02071	0.3
109.01025	0.2
110.03673	0.5
111.04421	1.1
121.02847	0.5
122.03616	0.4
122.19361	0.2
123.00720	0.2
123.04431	0.8
125.02293	0.2
125.05968	2.2
131.03915	0.4
131.04918	8.7
133.91402	0.2
137.02296	0.3
138.03116	5.5
141.05476	0.4
146.27740	0.2
149.02223	0.2
151.03911	1.5
153.05423	0.4
155.03342	0.3
165.55977	0.2
166.02609	5.6
168.78102	0.2
179.07062	0.2
181.04942	100.0
182.05280	0.7
184.03664	3.6
243.10193	0.7
267.09943	0.3
285.11194	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	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01854	4.1
55.05494	2.5
57.03431	4.3
63.00058	2.0
67.05501	3.6
67.62706	1.6
69.03416	2.6
69.07070	1.9
70.06586	8.8
71.05002	3.4
71.06898	2.0
71.50845	3.0
77.79325	2.0
79.05479	9.6
81.03413	7.3
81.07047	6.2
83.04991	3.6
83.37798	1.6
84.49738	2.2
85.02888	2.1
91.05466	21.8
93.03410	1.8
93.07032	6.1
95.04980	8.3
95.08598	3.9
100.11225	4.2
103.05457	8.6
105.03369	5.8
105.06378	2.9
105.07024	22.5
106.04182	1.7
106.53291	2.0
107.04944	10.7
108.05782	2.2
109.02903	2.1
109.06517	5.8
113.07132	6.0
113.07878	3.0
115.05468	3.8
117.26560	1.5
118.04171	2.5
119.04936	25.4
121.06518	14.0
121.10113	9.8
123.04404	4.5
123.08022	3.0
124.03931	4.9
125.02352	2.2
125.05937	2.0
127.03915	2.3
131.04927	5.7
131.08601	3.2
133.06471	16.4
134.03647	4.3
135.04416	8.8
136.05190	7.4
137.05971	3.6
138.03099	2.3
140.04675	14.1
141.05417	2.3
141.06552	2.0
147.04396	8.3
149.05956	20.6
151.04001	1.6
151.07541	15.2
153.01845	3.3
153.05458	100.0
154.06018	1.7
161.05969	46.7
163.03911	3.7
163.07478	1.8
165.05544	3.2
165.06998	5.4
167.07034	17.2
167.10645	1.9
168.07803	88.4
171.01416	2.1
175.07593	1.8
177.05466	3.5
178.06305	1.8
179.07092	12.6
181.04962	32.1
181.08594	5.7
191.03394	9.6
193.08606	35.0
196.07289	73.0
209.08109	6.8
210.06857	2.2
211.09637	50.6
221.06049	3.0
223.13718	1.7
225.09195	4.5
235.09917	2.0
243.06496	2.2
253.08638	7.9
285.07715	6.5
285.11337	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	285.1118
Annotation	FLAVOKAWAIN B
Peak:m/z	Relative Intensity
52.98369	0.3
53.03933	0.4
58.93661	0.4
65.03925	0.8
70.22444	0.4
70.55892	1.2
79.05476	0.4
80.02644	0.4
86.47366	0.4
91.05467	1.0
93.03398	0.6
95.04974	1.8
98.20834	0.4
103.05464	5.2
111.04408	1.1
123.04365	0.7
125.05955	1.3
131.04926	9.4
136.35188	0.4
138.03113	3.0
151.03909	0.8
153.05429	0.8
166.02634	3.3
181.04942	100.0
182.05330	0.9
184.03639	2.4
243.10060	0.7
285.11191	48.5
286.11597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	FLAVOKAWAIN B
Peak:m/z	Relative Intensity
53.03925	0.6
62.95734	0.4
63.64092	0.4
65.03935	0.6
69.03428	0.5
69.91612	0.3
70.92886	0.4
75.05707	0.3
80.02598	0.4
86.20047	0.4
91.05445	1.4
93.03407	0.9
95.04961	2.1
98.20716	0.7
103.05460	5.6
111.04419	0.7
121.02892	0.5
123.04396	0.6
125.05960	1.4
131.04921	9.6
138.03104	4.3
143.43887	0.4
151.03839	0.8
166.02596	4.7
181.04945	100.0
182.05295	0.5
184.03671	3.3
215.10413	0.3
243.10152	1.0
250.33165	0.4
253.08537	0.7
270.05280	0.5
285.11194	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0752
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
53.03923	0.1
55.01855	0.3
55.05482	0.4
57.03414	0.5
66.01060	0.4
67.05498	0.7
68.66605	0.1
68.99782	0.4
69.03412	0.2
69.07033	0.3
71.04961	0.3
77.03564	0.1
77.03941	0.3
78.01048	0.3
79.05466	0.6
81.03416	0.9
81.07043	0.9
83.04955	0.3
83.08616	0.3
85.02905	0.8
87.88859	0.1
91.05484	0.9
93.07024	0.6
93.33277	0.1
94.20717	0.1
95.04971	1.0
95.08585	0.5
97.02876	0.2
97.06517	0.2
98.97572	0.1
103.05434	0.5
105.03373	2.2
105.07020	1.1
107.04921	0.1
107.08545	0.4
109.02778	0.1
109.06462	0.2
109.10136	0.3
111.08099	0.2
113.05951	0.2
116.06181	0.2
116.98553	0.2
117.06997	0.2
118.04133	0.1
119.04950	0.2
119.08537	0.6
121.02827	0.3
121.06507	0.2
121.10178	0.3
123.04414	0.2
123.08000	0.1
126.03094	0.2
129.06961	0.4
131.04909	0.7
131.08562	0.4
133.10124	0.4
135.11694	0.2
137.02316	1.0
137.05884	0.1
137.09465	0.1
138.03087	0.1
141.07011	0.2
143.03438	0.2
143.08556	0.3
144.05592	0.2
145.06496	0.3
145.10120	0.9
147.04419	0.2
147.08038	0.1
147.11652	0.5
151.03902	0.3
153.01796	1.8
153.02956	0.2
153.06993	0.1
155.08549	0.2
157.10088	0.5
159.07910	0.2
159.11649	0.4
161.05913	0.2
163.03905	0.2
165.01778	0.2
165.06947	0.5
165.12787	0.1
166.02618	0.2
168.05713	2.9
169.10126	0.2
170.02173	0.2
171.04446	0.2
171.11716	0.2
172.05174	1.9
173.13216	0.2
175.03831	0.2
175.11188	0.4
175.14798	0.1
181.04947	4.9
184.03560	0.2
185.13219	0.3
186.06712	0.2
191.03366	0.3
193.06503	0.3
193.12273	0.7
196.05177	2.6
197.05972	1.2
199.03955	0.2
199.14832	0.5
200.04689	0.2
210.01595	0.2
210.06770	0.4
211.07419	0.2
211.13252	0.6
213.05460	3.9
213.16208	0.2
214.05991	0.2
221.05956	0.5
223.36406	0.1
224.04610	0.5
225.05441	0.6
225.09164	0.9
229.08676	0.2
239.07123	0.3
241.04985	2.1
242.05725	9.3
243.06226	0.4
253.08641	1.0
256.03757	0.2
267.10043	0.2
267.21057	0.4
269.04428	62.8
270.05197	59.9
271.05542	1.3
285.07550	100.0
285.21863	1.5
286.07901	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	285.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54219	0.3
70.43046	0.3
70.43396	0.8
71.94578	0.2
81.03420	0.5
85.02861	0.3
110.07826	0.3
133.06511	1.8
135.04471	0.4
142.38135	0.3
149.12946	0.3
153.01819	2.1
163.78548	0.3
193.12241	0.4
231.87473	0.2
241.04900	0.5
242.05730	38.5
243.06139	0.9
251.27242	0.3
269.07187	0.3
270.05234	17.3
270.07724	0.6
271.05576	0.5
285.07562	100.0
286.07928	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	285.0754
Annotation	Acacetin
Peak:m/z	Relative Intensity
51.96998	0.1
55.05521	0.6
57.03204	0.1
57.03432	1.3
65.03942	0.1
67.01853	0.3
67.05513	0.7
68.99783	0.2
69.03395	0.1
69.07057	0.2
71.04974	0.3
79.05499	0.9
81.03408	2.2
81.07051	1.1
83.04969	0.3
83.08611	0.8
85.02897	1.6
91.04900	0.2
91.05471	2.3
93.07053	0.7
95.04965	0.9
95.08588	0.7
97.02892	0.1
97.06498	0.1
97.10132	0.1
98.97594	0.1
99.04461	0.1
103.05467	0.1
105.07030	0.9
107.03001	0.1
107.04933	0.4
107.08575	0.3
109.06532	0.2
109.10113	0.1
111.04424	0.3
111.08057	0.4
115.05449	0.3
119.04927	1.4
119.08581	0.7
120.05669	0.4
120.10666	0.1
120.36827	0.1
121.02837	0.7
121.06497	0.2
121.10118	0.3
124.01552	2.2
125.14565	0.1
129.06981	0.4
131.04881	0.1
131.08557	0.4
133.06467	0.2
133.10124	0.3
135.11716	0.1
137.09563	0.1
141.05486	0.1
145.02831	0.8
145.06525	0.1
147.11650	0.5
149.09706	0.2
150.33614	0.1
157.10107	0.5
160.05205	0.3
161.05975	0.2
167.03400	3.8
168.05670	0.3
168.41600	0.1
169.06467	0.2
175.11208	0.6
177.10490	0.1
179.06978	0.2
181.04932	0.2
184.27718	0.1
185.04459	0.7
185.05937	0.2
185.93501	0.1
186.06726	0.3
187.03943	0.9
193.12259	1.6
196.05116	0.4
197.05952	1.5
203.42934	0.1
208.52246	0.1
211.13255	1.4
213.05469	1.2
214.06232	0.4
221.05936	0.1
224.04613	0.3
225.05403	0.6
225.09004	0.1
241.04921	0.2
242.05724	20.7
243.06133	0.7
253.04868	0.2
253.08438	0.2
257.08148	0.4
267.10162	1.1
270.05209	8.6
271.05539	0.3
285.07547	100.0
286.07895	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	285.0756
Annotation	Wogonin
Peak:m/z	Relative Intensity
51.23828	0.2
54.24781	0.2
57.03423	0.3
67.05495	0.4
68.99785	0.3
70.73741	0.4
70.74076	0.2
79.05494	0.4
81.03397	0.6
81.07056	0.4
83.04964	0.2
83.08556	0.2
85.02871	0.5
91.05479	0.4
93.07018	0.3
95.04977	0.4
95.08599	0.4
98.20800	0.2
98.39188	0.2
103.05460	0.7
104.06280	0.2
105.03404	1.0
105.06985	0.4
107.08555	0.2
116.06229	0.5
117.06948	0.2
119.08567	0.3
121.02880	1.3
127.00238	0.3
129.06969	0.2
131.04932	1.0
131.08572	0.2
133.10144	0.2
139.00171	0.3
140.01024	0.3
140.06218	0.4
141.06992	0.3
144.05673	0.6
145.06476	0.5
147.11674	0.4
151.05461	0.2
153.01849	0.2
155.04929	0.6
157.06430	0.2
158.07361	0.2
165.06963	0.2
168.00562	1.5
168.05684	2.1
169.06367	0.3
171.04407	0.7
172.05299	0.4
173.06013	0.3
175.31790	0.2
179.04915	3.6
181.04993	1.2
185.06007	0.5
186.01636	1.0
186.06702	0.3
191.95895	0.2
193.12225	0.4
196.05150	0.4
197.05925	0.4
199.03941	0.5
211.07559	0.2
211.13295	0.4
213.05452	1.5
214.06081	0.2
217.05040	0.2
218.05789	0.8
221.06024	0.2
222.67592	0.2
224.04671	1.0
229.05084	0.4
239.07039	0.7
241.04961	2.3
242.05716	3.0
249.05371	0.2
253.08600	0.3
256.03629	0.3
257.08041	0.3
267.06531	0.4
269.04486	2.3
270.05212	100.0
271.05487	2.6
284.03134	2.6
285.07556	90.0
286.07913	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	285.0755
Annotation	Wogonin
Peak:m/z	Relative Intensity
52.70198	0.2
53.03930	0.2
53.19116	0.3
55.01857	0.4
55.05477	0.6
56.96531	0.4
57.03394	0.9
58.99376	0.2
59.56041	0.3
62.99998	0.3
63.08948	0.3
67.05455	0.9
68.99773	0.3
69.03391	1.1
69.07045	0.5
69.78613	1.2
69.79029	0.4
71.04979	0.3
77.20169	0.2
79.05450	0.8
81.03386	0.9
81.07070	1.9
83.04929	0.4
83.08568	0.5
85.02868	0.9
91.05492	1.3
93.07043	1.4
95.04925	1.1
95.08562	0.9
97.02837	0.9
98.20856	0.5
98.97525	0.3
99.00832	0.3
103.05458	1.3
105.03366	1.5
105.04523	0.3
105.06986	1.1
107.08530	1.0
109.02832	0.4
109.06463	0.4
109.10137	0.7
111.04407	0.4
111.08044	0.4
115.05485	0.3
116.06271	0.4
119.04925	0.3
119.08514	0.9
121.02833	0.4
121.10126	0.6
123.04367	0.3
129.07027	0.6
131.04907	1.2
131.08536	0.5
133.10092	0.8
137.02228	0.5
140.06212	0.5
141.06903	0.7
143.08513	0.5
144.05673	0.6
145.10078	1.0
147.04393	0.4
147.11632	0.7
151.03790	0.3
152.06172	0.3
153.01781	1.3
155.04893	0.4
157.10106	0.7
159.07938	0.3
159.11647	0.4
161.05963	0.4
161.13231	0.5
162.62924	0.2
163.07484	0.3
165.06989	1.0
165.12764	0.3
168.00568	1.1
168.05721	2.3
169.10143	0.3
171.04356	0.8
171.11626	0.4
172.05165	0.6
173.05884	0.3
175.03932	0.4
175.11227	0.4
179.03473	0.4
179.04915	3.0
181.04942	4.6
181.06432	0.3
182.07219	0.3
183.08064	0.3
183.11685	0.3
185.05922	0.6
186.01576	0.9
186.06702	0.5
191.47113	0.3
193.06471	0.8
193.12224	1.0
196.05164	1.4
197.05952	1.2
199.02254	0.3
199.03931	0.6
199.14868	0.6
200.04684	0.4
210.06738	0.7
211.13260	0.7
213.05437	1.5
213.16292	0.3
217.04935	0.4
218.05730	0.6
221.05937	0.8
223.03827	0.3
224.04634	1.0
225.05484	0.5
225.09071	1.0
229.08588	0.4
238.06361	0.3
239.06885	0.7
241.05020	1.9
242.05746	4.5
243.06316	0.5
253.08592	2.0
267.06436	0.4
267.10281	0.5
269.04440	14.7
270.05219	100.0
271.05515	2.1
284.03174	2.4
285.07568	97.4
285.22113	2.3
286.07928	2.2
290.73807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
55.20990	0.3
56.20499	0.3
57.03415	0.5
65.03940	0.5
66.01034	0.5
67.05499	0.8
69.07061	0.4
69.25704	3.7
79.05493	0.5
81.03398	1.1
81.07047	1.3
85.02904	0.5
86.24709	0.3
91.05473	1.6
93.03424	0.5
95.04945	1.8
95.08610	0.6
95.11148	0.4
103.05462	4.2
105.03371	2.3
105.07020	1.0
107.08590	0.5
111.04426	0.7
119.08564	0.4
121.02870	0.4
121.10144	0.6
125.05950	0.6
131.04030	0.6
131.04935	6.8
131.08614	0.4
137.02298	0.7
138.03122	2.2
148.07570	0.8
151.03934	0.6
153.01828	0.5
157.10101	0.4
165.06931	0.3
166.02570	1.9
168.05656	2.3
172.05196	2.0
181.04945	55.9
182.05331	0.7
184.03627	1.7
193.12193	0.6
196.05180	2.1
197.05945	0.9
210.01480	0.4
211.13225	0.5
213.05447	2.9
222.20674	0.3
224.04767	0.6
225.05411	0.4
241.04922	2.0
242.05713	8.2
242.63890	0.4
269.04437	53.7
270.05212	55.2
271.05591	1.1
285.07559	100.0
285.11151	28.8
286.07782	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	285.0753
Annotation	Wogonin
Peak:m/z	Relative Intensity
55.05502	0.3
56.16386	0.2
56.29085	0.2
56.96545	0.6
57.03412	0.6
65.03944	0.2
67.05483	0.5
68.99786	0.4
69.03407	0.6
69.07048	0.4
69.21170	0.4
69.21573	1.9
71.01344	0.2
71.04976	0.3
79.05480	0.5
81.03384	0.6
81.07056	0.9
83.04953	0.5
83.30578	0.2
85.02891	0.6
87.78144	0.2
91.05476	0.9
91.96881	0.2
93.07042	0.7
95.04951	0.6
95.08607	0.9
97.02873	0.5
99.00796	0.3
99.62427	0.2
103.05444	0.9
104.06219	0.3
105.03385	1.3
105.07035	1.1
107.04931	0.2
107.08577	0.4
109.02911	0.2
109.10117	0.5
112.01535	0.5
115.05473	0.2
116.06220	0.3
117.37774	0.2
119.04996	0.2
119.08568	0.8
119.37539	0.2
121.02837	0.2
121.10117	0.5
123.04410	0.3
123.11697	0.2
125.09566	0.2
129.06961	0.3
131.04897	0.9
131.08597	0.4
133.10092	0.3
134.27188	0.2
140.00980	0.3
140.06183	0.5
141.06973	0.4
144.05695	0.6
145.06493	0.3
145.10133	0.6
147.04375	0.4
147.11632	0.5
151.05409	0.2
153.01813	1.7
155.04904	0.7
157.10133	0.4
158.07135	0.2
159.11694	0.3
161.05940	0.4
165.06970	0.5
168.00510	1.5
168.05710	2.3
169.06491	0.2
171.04390	0.8
172.05177	0.7
173.05876	0.3
175.03844	0.5
175.11253	0.3
179.04912	3.7
181.04950	1.8
181.06406	0.3
182.07166	0.2
185.05978	0.3
186.01567	0.9
186.06706	0.3
187.11147	0.2
191.03346	0.5
193.06534	0.3
193.12286	0.4
196.05226	0.6
197.06007	0.7
197.13152	0.3
199.03897	0.5
199.14824	0.3
200.04651	0.3
205.02522	0.5
210.06766	0.4
211.07516	0.3
213.05516	1.3
214.05991	0.2
215.77811	0.2
218.05795	0.7
221.05951	0.4
224.04700	0.8
225.05411	0.2
225.09140	0.6
239.07054	0.5
241.04961	2.1
242.05748	3.7
253.08571	1.2
256.03561	0.2
267.06509	0.6
267.09885	0.3
269.04437	9.3
270.05206	96.7
271.05579	2.6
284.03177	2.9
285.07553	100.0
285.21585	1.0
286.07901	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	284.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39750	1.8
53.03952	3.7
55.01879	3.5
55.92354	1.6
57.03443	3.8
60.34191	1.7
61.02913	2.8
67.05510	15.8
69.03420	11.4
69.03744	1.8
69.07067	3.3
70.06590	71.6
70.49099	6.7
71.04977	2.5
72.04520	1.9
73.02930	2.1
79.05484	7.2
81.03425	13.7
81.07056	5.6
84.04482	2.8
85.02913	7.1
86.06927	2.1
91.05472	3.2
93.07041	3.0
94.06570	3.5
95.04960	12.8
95.08604	2.4
96.04483	2.4
97.02895	21.9
97.06551	2.7
98.06052	2.7
98.97571	2.1
98.98486	2.7
99.04455	4.0
101.05994	2.3
103.03942	6.2
105.07021	3.3
106.06551	2.4
108.08114	11.7
108.43546	2.1
109.02879	17.1
110.06059	4.8
111.04475	2.4
112.07610	47.2
119.08624	2.5
121.02840	13.7
121.10189	4.4
122.02419	3.5
122.03207	13.3
122.06028	6.1
122.09675	3.7
124.03964	2.0
124.07626	2.1
125.05989	2.3
127.03898	10.6
136.07620	2.3
140.03371	2.5
140.04353	2.0
140.07050	27.3
150.09128	18.0
152.07057	22.4
158.08151	3.9
164.07013	3.0
166.08636	4.0
178.08630	60.1
181.04976	5.7
182.08179	5.6
185.05650	1.9
192.10091	2.2
194.08197	2.8
206.08121	100.0
209.10439	5.0
218.08122	38.1
220.09714	3.0
236.09143	2.5
248.09135	9.2
253.08763	2.1
260.05753	1.9
266.10394	4.4
284.06046	2.8
284.11194	4.4
284.29501	17.0
285.07959	2.2
285.11209	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	284.099
Annotation	38819-10-2
Peak:m/z	Relative Intensity
55.01848	0.2
56.96566	1.5
57.03426	0.5
61.02916	0.5
67.05486	0.2
69.03413	0.8
69.22086	2.5
70.06586	0.6
71.01344	0.2
71.35191	0.2
73.02898	0.2
81.03429	0.5
85.02898	1.3
87.04456	0.2
87.67550	0.2
88.97600	0.2
97.02865	0.6
98.21491	0.4
98.97583	1.2
102.96867	0.2
109.02884	0.5
109.05125	0.5
110.03529	2.2
116.98637	0.8
119.01929	0.9
120.97837	0.2
127.03876	0.3
128.04588	1.1
131.01878	0.3
134.04602	0.3
134.50269	0.2
134.99660	0.5
135.03009	3.7
136.06216	0.5
136.07553	1.9
138.05371	0.2
152.05667	100.0
153.02008	0.3
153.04068	8.3
153.05975	0.5
161.03012	0.3
164.07124	0.3
177.00894	0.5
179.03484	0.4
180.06566	0.2
196.04312	0.5
197.04597	1.4
203.03984	0.2
214.05661	0.3
219.02000	1.0
219.04047	0.2
220.09776	0.4
221.01695	0.4
234.99588	0.3
236.09204	0.4
243.01862	0.3
248.09163	0.3
256.06924	1.1
261.03027	4.5
262.02826	0.2
266.10098	0.6
279.00562	0.7
284.08157	0.4
284.11301	2.3
284.29532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03943	2.2
55.01854	6.0
55.05510	18.7
57.03440	8.1
57.07052	5.3
59.04981	2.7
65.03903	1.3
65.83109	1.3
67.05504	20.7
69.03413	5.3
69.07066	15.3
70.71030	1.3
71.04989	5.7
71.08611	2.0
71.51296	2.8
79.05489	25.3
81.03412	5.5
81.07053	36.2
82.07369	2.2
83.01333	3.7
83.04980	11.0
83.08606	10.3
85.06543	3.5
89.06022	1.9
91.05467	24.3
91.34641	1.4
93.06488	2.6
93.07038	34.2
95.04578	1.1
95.04977	10.7
95.08004	1.5
95.08606	26.8
97.02865	1.8
97.06532	5.5
97.10168	2.2
99.08128	1.4
103.05452	2.4
103.37382	1.3
105.07022	42.1
107.04929	4.6
107.08593	30.2
108.63819	1.3
109.06507	10.2
109.10138	15.3
111.04404	3.4
111.08069	2.5
115.05406	2.1
117.07010	11.5
119.08569	35.5
120.08815	2.1
121.06500	9.5
121.10136	50.9
123.08055	9.5
123.11697	8.5
125.05942	1.8
125.09604	2.9
128.06194	2.1
129.06998	8.5
130.07791	2.8
131.08557	23.9
133.07561	1.7
133.10121	23.3
135.08069	9.5
135.11668	13.4
137.09599	3.9
139.11185	1.8
141.07021	3.1
142.07735	8.9
143.08565	16.0
144.09317	2.9
145.06448	2.2
145.10115	40.7
147.07990	5.6
147.11649	11.6
149.13254	3.3
153.12706	3.7
154.07738	1.6
155.08539	6.2
156.09299	6.7
157.10114	20.2
158.10910	5.3
159.08078	3.7
159.11678	17.5
161.09613	18.1
161.13249	5.2
163.11168	16.8
165.06993	3.1
167.08543	3.3
168.09320	1.5
169.10109	7.9
170.10915	3.9
171.11674	15.5
172.12196	1.8
173.09644	5.4
173.13261	49.1
175.11180	3.3
175.14789	6.8
178.44946	1.4
179.03342	8.5
179.08583	6.4
180.09335	3.0
181.05003	1.6
181.10114	5.6
181.12170	3.4
182.10901	4.1
183.11652	8.6
184.12376	1.6
185.09657	2.7
185.13235	13.9
187.11238	3.5
187.14789	7.8
189.12761	2.4
191.10612	3.0
191.14256	2.0
193.10141	3.1
194.10825	7.4
195.11726	7.7
197.04440	2.4
197.13261	17.2
199.11215	3.2
199.14796	9.3
201.12744	1.6
201.16396	3.4
207.11758	3.9
208.12445	3.3
209.11526	2.2
209.13275	18.5
210.14098	2.3
211.14885	2.6
213.12746	5.6
213.16396	6.4
215.14384	2.0
221.13055	2.1
223.14763	11.4
225.16388	7.4
227.12459	2.3
227.14552	8.9
235.14891	3.0
237.16331	2.5
239.07030	3.1
239.17938	3.3
241.15797	2.5
250.17294	1.9
255.21129	8.4
265.19485	32.7
265.22180	2.7
268.07379	4.3
283.06110	4.8
283.09695	15.6
283.15781	14.6
283.20590	100.0
283.24124	17.3
284.20767	5.4
284.29495	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.60411	0.8
55.01878	2.0
55.05494	2.7
57.03425	1.8
57.07058	2.3
59.04982	1.5
67.05499	8.8
69.03425	9.9
69.07066	100.0
70.07385	1.4
71.04978	1.3
71.21146	1.8
79.05483	3.1
81.03410	1.0
81.06595	1.7
81.07052	23.8
83.04993	3.9
83.08658	0.7
85.02909	5.2
87.04446	1.4
89.34318	0.7
91.05479	3.3
93.07022	4.0
95.04976	5.8
95.08599	5.8
97.02888	36.5
97.06495	1.4
105.07003	4.4
107.08581	5.0
109.06528	4.5
109.10155	9.9
111.08067	1.2
115.03909	3.8
117.06988	1.4
119.08569	3.3
121.02859	2.4
121.09357	0.8
121.10137	5.8
123.04442	0.9
123.08049	1.6
123.11702	30.9
125.05978	1.1
126.48400	0.8
129.65013	0.9
131.08539	2.5
133.10114	2.4
135.08000	0.9
135.11668	1.0
137.05879	1.1
145.10097	1.8
147.11658	2.0
149.09521	1.0
151.11174	52.2
157.10126	1.1
159.11678	1.1
163.07509	1.0
163.11188	1.6
165.09204	1.2
171.10226	0.9
171.11699	1.6
173.13223	1.8
175.11139	1.2
183.10234	1.0
189.12691	1.2
201.12659	1.6
214.49294	0.9
219.13698	1.2
237.14755	1.4
247.13278	3.2
265.14377	3.6
283.10043	0.9
283.15283	11.9
283.20197	1.3
287.31644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21090	0.4
53.03936	1.0
55.01867	4.5
55.05514	3.1
57.03438	1.9
57.07078	2.9
59.02859	0.5
59.04996	1.6
65.03938	1.1
67.05505	7.5
69.03428	23.0
69.07066	100.0
70.07387	0.6
71.01360	3.2
71.04984	1.5
71.47034	1.2
72.50764	0.5
79.05487	2.8
81.03428	2.4
81.07052	22.5
83.04987	3.7
83.08629	1.0
85.02908	8.4
87.04481	1.3
91.05501	2.7
93.07033	4.0
95.04983	2.7
95.08617	5.6
97.02888	15.2
97.06533	0.7
97.10201	0.8
99.04511	0.6
105.03405	0.7
105.07024	2.7
107.04949	1.0
107.08596	3.6
109.02906	0.6
109.06520	3.6
109.10161	5.6
111.04442	1.2
111.08022	0.6
115.03926	7.7
117.07040	0.7
119.08626	2.2
121.02863	21.8
121.06521	0.9
121.10120	3.4
122.03217	0.5
123.08077	1.5
123.11700	31.4
124.12043	0.8
127.03925	0.6
129.06981	0.7
131.08597	1.3
133.10100	2.6
135.11688	0.9
139.03926	1.7
141.07060	0.7
143.08638	1.5
145.10168	2.0
147.08069	0.7
149.09680	0.7
151.11174	45.5
153.07199	0.5
155.08546	0.5
157.10152	1.1
159.11702	0.6
161.09680	0.9
163.11198	1.2
167.08492	0.5
169.10132	1.2
171.11714	0.7
173.09659	0.9
173.13329	0.8
181.06538	0.5
181.10121	0.6
181.12466	0.6
185.09593	0.6
186.58617	0.5
187.11209	0.5
192.01216	0.5
197.13411	1.6
209.11705	0.6
209.13513	0.7
213.12894	0.9
222.06804	0.6
265.07043	0.7
265.19559	0.9
268.07431	0.9
283.06116	0.7
283.09787	1.9
283.12979	0.7
283.15366	4.4
283.20499	4.9
283.23801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01871	47.4
55.05508	77.7
57.03434	77.0
57.07064	8.3
59.04994	10.1
61.90677	2.8
63.05196	2.1
65.03927	3.3
67.05502	49.1
69.03403	4.0
69.06734	2.4
69.07059	13.6
69.27043	24.6
71.01363	3.0
71.04991	17.4
71.08607	3.2
79.05491	74.9
79.73758	2.1
81.03411	37.1
81.07054	65.7
83.01341	47.9
83.04977	50.3
83.08615	52.1
84.68695	2.1
85.02905	14.6
89.06026	12.8
91.05482	43.2
93.07040	96.7
95.04962	27.1
95.08612	32.5
97.02888	5.7
97.06532	14.8
97.10175	5.6
99.04463	13.8
105.04540	2.4
105.07028	34.2
107.04959	26.8
107.08600	44.6
109.06508	28.2
109.10156	10.5
111.04444	11.7
111.08086	8.7
117.07016	29.9
118.32969	2.2
119.08572	34.0
120.08918	2.4
121.02850	3.4
121.06517	11.4
121.10141	30.6
123.04375	2.9
123.08067	32.5
123.70622	2.0
125.06038	11.2
125.09592	3.2
129.06993	5.8
130.07770	6.2
131.08557	9.5
133.08606	5.9
133.10117	9.7
135.08058	5.8
135.11693	49.4
137.09595	5.5
139.07600	4.7
143.08554	3.2
145.06473	3.2
145.10114	55.8
147.08044	6.8
147.11703	3.4
153.12724	13.1
155.08516	4.6
157.90276	2.2
163.11171	100.0
166.09625	2.2
173.09578	15.4
179.03394	40.7
181.12231	17.5
191.10680	9.6
197.04483	15.8
199.14867	2.7
209.11702	27.3
225.14441	2.2
227.12752	24.7
239.07036	2.9
267.06479	4.9
268.07269	4.0
274.97629	2.7
283.06738	3.9
283.09872	18.8
283.15381	95.1
283.24081	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01862	10.9
55.05508	17.1
57.03430	17.1
57.07071	2.8
59.49541	1.1
60.55453	1.2
61.14470	1.2
66.18599	1.1
67.05499	27.4
69.03426	2.6
69.07062	10.1
71.05000	5.9
71.52255	1.9
73.02926	2.0
79.05486	34.6
80.53342	1.1
81.03403	6.3
81.07053	27.8
83.01333	3.7
83.04974	13.1
83.08619	13.4
85.02885	1.2
91.05473	17.1
93.07040	46.5
95.04964	11.2
95.06052	1.2
95.08598	44.1
97.02895	4.4
97.06543	6.6
97.10162	2.9
99.04430	5.2
101.65292	1.4
103.05445	1.8
105.07030	10.9
107.04942	13.2
107.08585	32.7
109.06499	4.6
109.10137	5.1
111.04414	3.8
111.08088	2.3
113.05985	1.3
117.06997	10.5
119.08577	13.3
121.02898	1.3
121.06499	7.8
121.10126	17.4
121.43662	1.0
123.08060	1.8
125.05982	3.0
129.07001	1.8
131.08591	2.5
133.10130	3.0
135.08051	2.0
135.11684	56.9
139.07483	2.4
141.37172	1.1
143.08540	2.0
145.10112	35.4
147.08023	1.7
149.09575	2.1
153.12727	6.9
155.08522	1.7
163.11166	76.3
164.11517	2.3
173.09668	2.6
179.03391	11.8
181.12206	17.2
191.10577	2.7
197.04446	5.7
209.11710	3.4
227.12773	100.0
267.06567	2.0
283.09845	8.6
283.15363	30.0
283.20251	2.0
283.23831	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
57.03408	0.9
59.04980	1.1
65.03925	1.5
67.05480	1.6
69.03430	1.4
69.07050	1.4
69.19244	7.1
69.19647	0.8
78.70641	0.7
79.05492	0.9
81.03414	1.6
81.07031	1.3
83.04958	0.8
83.08595	0.9
85.02895	2.2
85.06519	0.9
91.05476	24.6
93.07026	1.7
95.04954	2.9
95.08569	0.9
97.02876	1.0
98.20734	1.5
99.04435	1.0
103.05495	1.1
105.03407	1.0
105.07001	2.0
107.04943	1.0
107.08566	1.1
109.02871	1.2
111.04395	0.7
113.64362	0.7
118.04129	2.1
119.04935	33.2
121.02860	13.4
121.10121	1.2
127.03956	0.8
131.04915	1.1
132.02039	1.6
133.10104	1.0
135.04387	1.4
139.03929	1.5
143.96001	0.7
147.04405	26.4
149.02327	2.7
157.03973	3.5
162.03116	0.9
164.04697	1.9
174.03061	0.7
175.03899	45.7
179.07063	3.6
192.04167	7.9
207.06514	100.0
225.07474	3.9
283.05667	0.8
283.09546	1.3
283.20575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0962
Annotation	5,7-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.03934	0.2
55.05501	0.5
57.03437	0.2
63.60622	0.1
65.03949	0.1
67.05499	0.3
68.99796	0.3
69.03389	0.1
69.96078	0.4
71.04988	0.1
79.05479	0.6
81.03403	0.4
81.07040	0.5
83.01324	0.1
83.04966	0.4
83.08617	0.2
86.68157	0.1
91.05457	0.5
93.07035	0.7
95.04944	0.2
95.08598	0.5
98.20833	0.2
103.05466	0.2
104.21612	0.1
105.03387	0.6
105.07032	0.2
107.04934	0.2
107.08592	0.4
108.02093	0.8
109.06479	0.2
109.10159	0.2
110.03766	0.1
111.04477	0.1
116.98611	0.2
117.07083	0.2
119.08568	0.3
121.02827	0.2
121.10124	0.3
129.03348	0.9
131.08615	0.2
135.08122	0.2
135.11697	0.3
136.01543	0.3
137.02345	0.8
138.03102	0.5
145.10091	0.4
149.02266	0.2
153.06999	0.3
153.12750	0.2
154.02602	0.4
154.07736	0.2
155.03381	0.9
155.08582	0.2
163.11191	0.5
165.06956	0.1
166.02603	0.2
171.08022	0.2
181.04933	0.3
181.06479	0.3
181.12219	0.2
182.53493	0.1
183.08095	0.2
184.03729	0.3
197.05904	0.2
210.06718	1.7
211.07571	0.8
212.08194	0.2
222.06935	0.1
223.07521	0.4
225.05429	3.9
227.12755	0.2
237.05473	0.3
238.04341	0.1
238.06224	4.8
239.07011	34.7
240.07695	2.4
248.13522	0.3
251.07056	0.3
267.06503	9.1
268.07278	34.3
269.07617	0.9
270.05215	0.5
282.08682	0.1
283.09616	100.0
284.09973	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	283.0961
Annotation	3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
70.87678	0.8
87.56290	0.3
91.05482	0.8
137.02335	0.4
138.03119	2.3
155.03351	0.3
163.11246	0.3
165.06969	0.5
166.02603	3.0
183.08063	1.5
184.00365	0.3
184.03706	1.9
210.06764	1.1
211.07483	0.6
212.08308	0.4
225.05411	1.2
227.10619	0.4
237.05569	0.9
238.06219	2.2
239.03412	0.4
239.07022	16.6
240.07719	1.7
267.06503	27.3
268.07288	30.1
269.07623	0.8
270.05267	0.4
283.09634	100.0
284.09903	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	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03938	0.7
55.01853	0.6
55.05501	0.5
57.03424	0.8
61.02900	0.5
62.98796	0.2
65.03934	2.9
67.05499	0.5
69.03424	1.5
69.07066	0.3
69.39307	1.7
71.01344	0.3
71.04984	0.3
73.02909	0.2
79.05471	0.3
81.03410	2.0
81.07066	0.5
83.04959	0.2
85.02897	1.7
85.06500	0.5
89.80788	0.2
91.05470	0.5
93.07033	1.2
95.04958	2.5
95.08575	0.5
97.02901	0.9
97.06519	0.2
99.04447	0.8
105.07021	0.4
107.08612	0.5
109.02885	1.1
109.10145	0.2
111.04435	2.3
111.08091	0.3
112.04771	0.2
119.08552	0.2
121.02859	100.0
121.10113	0.4
122.03182	1.6
127.03938	0.8
127.10398	0.2
127.93759	0.2
139.03896	2.1
145.10120	0.3
147.04408	0.3
147.07959	0.2
157.10178	0.2
162.06598	0.2
223.06026	0.3
265.07098	1.2
283.07959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03938	0.7
55.01853	0.6
55.05501	0.5
57.03424	0.8
61.02900	0.5
62.98796	0.2
65.03934	2.9
67.05499	0.5
69.03424	1.5
69.07066	0.3
69.39307	1.7
71.01344	0.3
71.04984	0.3
73.02909	0.2
79.05471	0.3
81.03410	2.0
81.07066	0.5
83.04959	0.2
85.02897	1.7
85.06500	0.5
89.80788	0.2
91.05470	0.5
93.07033	1.2
95.04958	2.5
95.08575	0.5
97.02901	0.9
97.06519	0.2
99.04447	0.8
105.07021	0.4
107.08612	0.5
109.02885	1.1
109.10145	0.2
111.04435	2.3
111.08091	0.3
112.04771	0.2
119.08552	0.2
121.02859	100.0
121.10113	0.4
122.03182	1.6
127.03938	0.8
127.10398	0.2
127.93759	0.2
139.03896	2.1
145.10120	0.3
147.04408	0.3
147.07959	0.2
157.10178	0.2
162.06598	0.2
223.06026	0.3
265.07098	1.2
283.07959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01862	4.0
56.96554	5.3
57.03428	5.9
57.07060	2.3
61.02929	10.8
67.05515	1.5
68.45195	1.4
69.03424	17.5
69.89010	6.5
71.05006	2.7
73.02914	5.5
81.03419	7.7
85.02903	100.0
85.06540	19.0
87.04465	4.7
91.03938	7.4
97.02895	21.9
98.97590	7.3
99.04446	5.5
99.45936	1.3
109.02843	8.2
110.06081	1.7
110.97517	1.5
111.67568	1.5
112.07593	2.5
116.98626	2.6
119.01820	1.6
119.57471	1.5
127.03906	26.2
134.99637	2.5
136.06149	2.2
145.04953	51.0
146.99643	1.8
149.39995	1.4
153.00746	1.9
153.01831	7.6
158.99683	1.6
159.06738	1.9
163.06044	12.4
174.04355	1.7
177.00754	1.8
177.07907	1.9
180.08778	2.0
193.03185	2.6
196.04198	1.7
204.05493	2.2
219.01924	2.2
226.11203	1.9
229.10667	4.4
237.41647	1.6
252.12564	4.1
264.12579	1.8
270.13675	6.3
282.10602	2.1
282.13467	7.3
300.06268	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	8.5
55.01867	4.2
55.05510	34.6
57.03437	29.3
57.07055	2.6
61.48103	1.2
65.03927	5.5
67.05502	84.3
69.03434	2.6
69.07069	18.0
70.51127	1.3
70.51476	4.1
71.04971	3.4
73.06535	4.0
79.05492	100.0
80.05796	1.3
81.03419	14.6
81.07053	69.6
83.04500	2.5
83.04977	38.3
83.08621	11.4
85.06534	5.7
91.05476	71.3
93.07041	76.6
95.04967	29.2
95.08606	43.5
97.02862	1.6
97.06531	7.4
97.10159	4.8
100.56907	1.2
103.05442	1.9
105.04483	1.3
105.07028	48.0
107.04955	9.4
107.08588	23.6
109.06526	8.5
109.10148	7.4
111.08065	2.4
115.05555	1.3
117.07018	11.9
119.08578	34.6
121.06490	3.6
121.10133	7.3
123.08054	6.8
125.05988	1.4
125.09642	1.3
127.07514	2.3
128.06207	3.6
129.07002	20.0
130.07819	1.8
131.08569	4.5
133.10129	15.5
135.11688	3.7
143.08575	9.4
145.10120	9.4
147.07999	3.4
147.11685	41.2
155.08519	1.2
156.09332	1.5
157.09966	1.4
161.09663	7.9
161.13255	15.1
163.11159	1.8
165.09137	1.3
171.10286	2.3
171.11685	34.6
178.43155	1.2
179.14270	1.3
189.12701	10.5
207.11911	1.8
207.13744	11.1
221.13475	1.6
281.11557	1.7
281.17383	34.3
281.22626	2.8
298.92569	1.3
299.06122	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	9.1
55.01872	3.6
55.05234	1.9
55.05510	32.7
55.56981	1.6
57.03436	29.6
65.03923	4.2
67.05502	86.4
69.03403	1.4
69.07065	16.4
70.04633	5.6
71.04986	2.5
73.06551	3.2
79.05492	100.0
81.03402	14.8
81.07052	62.3
81.07533	3.2
82.07344	1.8
83.04977	28.3
83.08596	8.7
85.06519	5.1
91.05479	63.4
93.07043	77.5
95.04964	26.6
95.08605	39.3
97.06535	5.5
97.10172	4.6
98.20807	1.8
99.08070	2.1
104.02198	1.5
105.04521	2.4
105.07028	51.5
107.04940	5.0
107.08597	22.7
109.06509	9.1
109.10162	9.3
115.05424	2.3
117.07004	10.4
119.08568	31.7
121.06485	3.9
121.10122	5.3
123.08048	8.0
128.06238	4.2
129.07011	17.3
131.08597	4.2
133.06487	2.1
133.10118	17.9
137.89639	1.7
143.08540	8.8
145.10091	12.0
147.08037	4.2
147.11690	37.1
159.11707	2.0
161.09628	6.5
161.13266	16.8
171.11685	31.1
189.12762	9.7
207.13799	12.4
281.08456	1.7
281.17426	35.3
281.22183	1.6
283.03036	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03938	8.9
55.01858	4.7
55.05274	2.5
55.05509	32.1
55.77831	1.8
57.03165	1.8
57.03432	26.9
58.42513	1.6
65.03927	3.9
67.05502	88.3
69.03371	2.0
69.07065	17.8
69.35920	14.1
69.36327	3.1
71.04987	1.9
73.06533	3.3
77.03886	2.5
79.05490	100.0
81.03423	13.0
81.07056	65.4
83.04501	2.4
83.04978	38.3
83.08594	8.7
85.06541	3.6
91.05478	69.8
93.07042	71.1
95.04971	29.5
95.08603	42.1
97.02876	2.0
97.06511	4.7
97.10155	7.3
105.04515	2.3
105.07027	53.0
107.04934	8.0
107.08591	22.8
109.06531	9.1
109.10130	8.1
117.06992	9.6
119.08578	29.6
121.06503	2.9
121.10155	5.6
123.08038	8.1
127.07573	2.2
128.06233	3.4
129.06992	16.7
131.08588	3.9
133.10112	17.3
135.11664	2.7
141.06808	1.7
143.08566	10.0
144.53212	1.8
145.10152	10.1
147.08052	2.9
147.11688	45.0
149.09615	1.8
160.47694	2.1
161.09569	4.3
161.13234	17.2
169.69957	1.7
171.11691	29.5
179.14345	1.9
189.12733	13.2
207.13805	14.1
272.07748	1.7
281.17453	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03945	7.5
55.01852	5.1
55.05506	34.6
57.03434	31.0
57.07049	2.4
59.88064	1.6
65.03930	5.3
67.05502	89.0
69.03393	1.6
69.07061	20.3
69.41039	12.0
71.04979	5.2
73.06506	2.5
79.05488	100.0
81.03419	16.4
81.07050	67.3
83.04977	34.5
83.08610	13.3
85.06535	3.4
91.05475	73.1
93.07037	73.6
95.04960	28.5
95.08599	44.3
97.02864	1.9
97.06518	6.8
97.10139	6.7
98.20799	3.0
103.05400	1.4
105.04534	2.0
105.07021	52.8
107.04954	6.9
107.08597	22.0
109.06506	11.1
109.10165	9.8
111.08070	2.9
115.05419	1.9
117.07015	10.6
119.08577	33.6
121.06522	3.1
121.10156	4.7
123.08060	7.3
128.06203	1.5
129.07011	19.6
131.08533	3.9
133.06436	2.1
133.10118	14.5
135.11661	4.5
141.06949	2.1
142.07773	1.9
143.08554	12.9
145.10104	13.3
147.07999	3.5
147.11674	37.4
156.09312	3.6
157.10109	2.8
159.11758	3.3
161.09610	4.3
161.13242	16.6
163.11163	1.5
169.10138	1.7
171.11676	44.8
179.14293	1.8
183.11725	1.6
185.13260	3.0
189.12759	10.2
197.13292	3.3
199.14745	2.7
207.13756	13.1
211.14825	3.6
212.92979	1.4
225.16463	3.2
281.17477	44.1
281.22467	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.8
55.01854	6.8
55.05280	2.3
55.05511	34.2
57.03207	2.4
57.03437	29.4
58.04263	1.9
59.78746	1.7
60.66815	1.8
65.03931	4.9
67.05503	85.5
69.03423	6.0
69.07066	18.4
70.69286	4.5
71.04974	5.5
73.06553	2.5
76.46826	2.1
77.03904	2.1
79.05492	100.0
81.03427	13.6
81.07053	66.1
83.04981	34.0
83.08610	9.7
85.02893	2.7
85.06512	2.1
91.05474	77.2
93.07039	64.8
93.25517	1.8
95.04965	28.2
95.08597	46.8
97.02880	2.2
97.06519	6.1
97.10175	4.5
99.08063	2.2
103.05467	3.5
105.04514	4.5
105.07026	50.6
107.04946	7.8
107.08574	26.8
109.02838	2.6
109.06519	9.1
109.10139	10.9
111.08052	3.2
115.05475	3.4
117.06982	11.8
119.04977	2.2
119.08569	36.6
121.06492	4.3
121.10132	8.3
123.08062	10.4
123.11706	2.1
128.06201	2.4
129.06998	19.0
131.08560	5.6
133.06474	2.8
133.10091	9.6
135.07973	2.9
135.11685	3.6
137.09576	2.3
143.08554	11.9
143.23608	2.0
145.10114	12.1
147.07983	2.9
147.11678	39.7
149.09641	3.5
153.01834	18.7
158.07257	2.2
161.09549	5.3
161.13264	17.3
171.11687	31.7
189.12746	8.6
198.94659	2.3
207.13785	7.9
227.49434	2.1
229.49245	1.9
267.00052	2.0
281.04617	2.5
281.07831	3.7
281.17392	32.9
282.05197	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.77604	1.6
53.03944	8.5
54.73792	1.5
55.01860	5.7
55.05281	1.7
55.05509	31.7
57.03440	30.9
57.07060	3.4
63.19983	1.6
65.03915	4.9
67.05502	85.4
69.03424	5.4
69.07061	15.0
71.04978	4.5
71.08610	2.0
71.52922	2.3
73.06535	2.4
77.03937	2.4
77.37225	1.5
79.05490	100.0
79.62611	1.7
81.03413	15.5
81.07051	66.3
83.04974	33.3
83.08621	8.8
85.06529	2.8
91.05476	74.2
93.07041	73.7
93.07640	3.6
95.04964	30.1
95.08605	41.0
96.14171	1.5
97.06515	7.0
97.10160	6.6
103.05412	2.0
105.03358	1.8
105.07021	46.3
107.04961	9.3
107.08593	26.9
109.06530	9.2
109.10142	8.3
111.08115	2.6
115.05446	4.2
117.07027	12.8
119.08573	32.3
121.06479	4.0
121.10115	6.0
123.08063	6.7
127.07516	2.5
128.06200	2.9
129.06993	18.9
131.08557	4.0
133.10106	14.5
135.11646	2.7
137.05980	1.8
137.09572	4.0
142.07796	2.3
143.08580	9.7
145.10133	9.5
147.07994	2.4
147.11685	34.2
161.09602	6.6
161.13208	14.8
165.39996	1.5
169.10173	4.2
171.11674	25.7
175.19151	1.6
189.12769	9.9
189.14207	1.8
207.13771	10.3
281.07852	1.8
281.11670	2.1
281.17459	33.8
281.22559	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01852	3.7
55.05507	35.5
57.03434	33.6
57.07064	5.0
59.58942	1.6
62.12475	2.0
65.03926	5.2
66.40925	1.5
67.05503	95.2
68.05806	1.8
69.07065	20.6
70.37012	2.0
71.04977	3.6
71.08613	3.2
71.52835	2.0
73.06549	2.6
77.73178	1.8
79.05491	100.0
81.03418	16.6
81.07053	77.8
81.07539	3.9
83.04977	34.2
83.08619	13.8
85.06544	3.7
91.05472	73.3
93.07035	83.5
95.04965	32.2
95.08603	46.3
97.02927	2.4
97.06519	7.5
97.10163	7.2
99.08056	2.7
105.04505	2.3
105.07027	60.0
107.04957	9.5
107.08581	26.3
109.06534	11.2
109.10178	10.4
111.08037	3.1
115.05465	2.3
117.07014	11.9
118.81298	2.1
119.08579	31.6
121.10130	10.1
123.08075	11.2
123.11697	1.9
127.07555	3.4
128.06239	4.3
129.07002	21.0
131.08546	5.5
133.06503	2.6
133.10124	16.1
135.11702	4.4
143.08542	11.6
145.10144	11.2
147.08006	3.5
147.11674	44.1
150.02620	2.0
161.09608	5.8
161.13264	19.0
169.10040	2.3
171.11687	36.6
174.13037	1.8
189.12682	13.2
207.13744	15.4
275.98654	2.0
281.11511	1.6
281.17410	38.8
281.22385	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03940	7.3
55.01870	5.2
55.05509	36.4
57.03434	28.7
57.07062	3.0
58.51120	1.0
65.03926	4.8
67.05503	89.6
69.03418	2.3
69.07064	19.0
71.04984	2.2
73.06542	2.7
77.03962	1.3
79.05489	100.0
80.05839	1.2
81.03419	16.5
81.07051	63.0
83.04976	36.0
83.08614	10.2
84.66730	1.1
85.06542	2.5
91.05477	79.8
92.48792	1.1
93.07040	73.7
95.04422	1.1
95.04961	32.8
95.08602	43.7
97.06526	5.3
97.10162	7.3
99.08067	1.3
101.66646	1.1
103.05422	1.7
105.04519	2.7
105.07030	50.5
107.04950	9.3
107.08588	24.1
109.06528	8.1
109.10153	8.3
111.39539	1.1
115.05446	1.4
117.07015	10.6
119.06046	1.2
119.08576	35.9
121.06483	3.5
121.10149	5.3
123.08066	9.4
123.11742	1.3
127.07544	2.0
128.06239	3.8
129.06995	19.0
131.08539	3.4
133.06438	1.5
133.10120	13.4
134.09650	10.7
135.11690	3.0
143.08548	11.5
145.10107	12.3
147.08105	2.2
147.11673	37.1
151.02940	1.2
159.11652	1.5
161.09605	5.0
161.13263	16.8
171.11674	29.2
189.12767	9.8
193.62454	1.1
197.43001	1.0
203.08237	1.3
207.13795	12.6
210.12788	2.6
281.17459	32.4
282.22101	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	8.6
55.01871	3.5
55.05509	35.4
57.03436	30.1
57.07063	3.9
64.15295	1.7
65.03925	4.6
67.05502	91.2
67.73739	1.7
68.05824	1.8
69.03425	3.0
69.07069	17.5
70.18956	7.3
71.04984	4.1
73.06547	2.3
73.81786	1.5
79.05493	100.0
81.03417	15.4
81.07055	70.0
83.04975	37.7
83.08623	10.9
85.02922	1.9
85.06532	2.2
91.05479	69.4
93.07042	72.4
95.04964	33.5
95.08607	47.6
97.02888	1.9
97.06516	7.1
97.10161	5.9
103.05452	2.0
105.07034	54.0
107.04950	8.6
107.08592	24.1
109.06493	8.2
109.10143	9.4
111.08086	2.2
115.05436	3.0
117.07019	10.8
119.08582	33.0
121.06485	2.8
121.10105	6.7
123.08097	8.9
123.78506	2.1
127.07582	1.9
128.06230	2.8
129.07001	19.1
131.08568	4.2
133.10120	15.8
135.11684	3.5
141.09102	2.1
143.08542	12.3
145.10107	9.5
147.08052	2.8
147.11688	38.8
159.11633	3.3
159.75697	1.7
161.09608	5.9
161.13271	18.8
163.11131	2.9
171.11693	28.5
185.13374	2.0
189.12816	11.1
207.13777	12.7
281.07678	2.2
281.17416	42.8
281.22580	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	279.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	8.5
58.13519	2.6
59.27789	2.5
65.63706	2.4
71.49982	2.9
71.50399	4.7
85.02908	6.9
86.04433	2.7
98.96943	5.5
98.97580	100.0
101.00858	6.9
110.97570	12.9
116.98622	49.9
119.01907	16.2
127.03990	3.2
127.67016	2.7
128.98619	15.3
134.99643	18.5
136.94026	3.5
143.01831	6.6
146.99677	3.5
149.02332	9.4
158.99661	28.9
161.02937	8.4
168.99321	2.9
170.99687	3.8
177.00725	55.1
177.02260	4.1
189.00708	14.1
189.02371	5.6
195.01781	4.8
200.02350	5.1
207.01793	7.7
219.01797	8.6
236.80135	3.4
237.02818	12.9
255.03925	8.1
275.06125	8.1
279.04742	42.4
297.04813	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1494
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
50.21646	0.4
52.41136	0.4
53.03948	1.0
54.55555	0.3
55.01879	0.8
57.03434	2.8
57.07071	0.4
61.02913	1.7
67.05499	0.7
69.03429	4.9
70.06596	0.4
71.01347	0.8
71.04992	1.2
73.02926	0.6
75.04489	0.6
81.03412	1.1
81.07057	0.4
83.05006	0.4
85.02924	0.6
91.05455	0.7
95.08594	0.7
97.02879	0.4
98.50842	0.4
99.04438	1.2
105.07014	0.5
107.04965	0.6
107.08628	0.7
109.02908	0.5
109.10131	0.5
111.72259	0.3
115.03896	0.3
117.07095	0.4
119.08549	0.4
120.04426	0.7
121.02898	0.4
132.06863	0.7
135.04460	0.6
137.02350	0.5
145.06534	0.4
145.07610	0.6
146.08409	0.6
147.09166	85.7
148.09540	1.1
159.09163	1.0
161.05989	0.7
163.03889	3.0
167.07054	0.3
181.05038	0.5
189.05414	0.4
207.06480	0.6
207.08154	0.4
225.48160	0.3
235.45430	0.3
263.09354	0.5
266.99936	0.8
281.14948	100.0
282.15350	2.0
283.02783	0.6
299.06219	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05504	1.4
56.96301	1.3
56.96560	12.7
57.03443	1.4
57.07064	3.1
61.02927	1.4
65.03950	0.8
67.05501	1.2
69.03419	3.1
70.06598	0.8
70.36192	1.7
71.71840	0.8
73.02898	1.9
77.80188	0.8
81.03392	1.1
81.07040	1.3
85.02920	5.3
97.02879	3.3
98.97579	100.0
105.56382	1.0
109.02869	0.8
110.07140	1.0
110.97578	20.0
113.46931	0.8
116.98618	60.9
119.01875	1.7
121.01653	2.1
121.02856	1.6
127.03941	1.1
128.98604	27.5
131.00145	1.6
131.01915	1.6
133.01712	0.9
134.05965	1.4
134.99651	28.4
137.05939	1.2
140.00180	1.1
143.00177	2.0
143.01915	1.1
145.01660	1.3
146.99637	16.1
149.01193	2.1
149.02336	26.5
152.07068	2.3
153.00659	3.5
153.01811	2.1
158.01146	1.2
158.99651	29.9
159.03241	1.5
160.07587	0.9
161.01212	1.7
161.02945	1.1
163.02675	1.9
163.03967	1.1
164.07129	1.3
165.00702	3.0
170.05278	2.1
170.99690	9.2
177.00711	69.1
177.04228	2.9
189.00703	27.0
189.02403	2.0
195.01779	7.6
200.02319	3.7
201.00693	1.2
202.08636	1.3
207.01755	18.1
212.02292	1.4
219.01840	4.7
219.05434	1.2
225.02762	1.4
233.01463	1.4
235.10860	0.9
237.02783	8.6
251.02419	2.5
255.03748	5.5
256.02954	1.5
261.07980	0.9
279.03845	5.8
279.07095	1.9
279.09995	1.5
279.13101	1.4
297.04834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05029	4.2
57.07074	4.1
58.06599	6.8
60.04518	1.9
62.06071	0.7
64.27719	0.4
69.03420	0.6
69.07065	0.8
70.06599	0.6
71.08636	2.2
72.08157	1.9
74.06081	4.3
74.39336	0.4
84.08130	0.4
86.06067	4.1
87.04473	0.6
88.07626	32.9
89.06019	0.7
98.20770	1.5
100.07593	1.3
104.07112	4.1
105.06989	0.5
107.08569	0.6
110.14057	0.4
118.08647	1.3
119.08528	0.5
132.10181	9.1
149.02318	1.9
154.15887	0.5
158.15445	0.5
160.32913	0.4
162.11192	1.7
166.10765	2.6
175.14850	0.7
186.18518	37.9
187.18762	0.4
198.18581	0.6
200.92026	0.4
210.14420	0.3
225.00674	0.3
229.98157	0.4
230.21140	14.1
260.22250	1.4
278.23257	100.0
279.23679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01861	2.4
55.05511	8.2
56.96299	3.2
56.96561	30.1
57.03429	5.2
57.06799	2.0
57.07074	36.0
58.07407	1.9
59.04994	1.9
61.02923	7.7
67.05505	18.6
68.05817	1.9
68.57253	1.5
69.03429	15.5
69.07073	3.5
70.23167	6.3
70.95351	1.4
71.05006	2.1
73.02903	8.6
73.06562	9.5
73.64955	1.6
77.24992	1.4
77.41829	1.5
81.03413	6.4
83.04959	1.8
84.96033	2.9
85.02905	24.0
85.06537	6.2
87.04440	1.9
97.02888	19.5
98.97581	100.0
99.04442	3.8
109.02898	4.2
110.01300	3.2
110.97546	13.7
112.07594	3.0
112.99148	1.9
116.98617	59.7
119.01860	6.7
127.03893	5.9
128.02339	2.6
128.98625	18.3
130.06523	7.8
131.00166	1.6
132.04474	1.6
134.99644	24.9
143.00201	2.7
144.98198	1.7
145.01685	3.2
145.04948	2.9
146.04126	5.9
146.99648	16.5
147.03285	7.4
149.02292	9.1
152.98587	1.8
153.00725	3.4
153.01860	2.4
155.04646	47.3
155.54834	3.4
157.07568	8.3
158.99657	35.7
161.01248	4.8
161.02963	4.1
161.04680	12.3
163.02748	2.3
164.05190	26.0
164.55486	2.2
165.00758	2.3
165.04305	10.3
166.55502	5.4
170.05196	2.0
170.99695	7.8
175.55954	2.2
176.05269	2.7
177.00720	53.9
177.02223	3.3
182.03362	5.5
182.04961	1.6
188.05191	3.7
189.00702	19.4
189.04381	5.4
190.04898	2.3
191.02188	1.9
191.03860	2.9
191.05679	2.5
193.02058	1.6
195.01755	4.3
197.05733	4.7
200.02258	2.1
201.00658	4.2
201.04233	2.1
206.06229	8.4
206.56570	2.9
207.01770	6.9
207.05408	5.3
218.06258	2.6
219.01808	19.5
219.05389	4.8
227.06769	36.2
227.57077	7.7
231.05469	3.5
233.06682	2.3
235.06470	4.0
236.07254	13.0
237.02818	35.3
255.03931	5.6
260.02493	1.9
260.10406	9.7
261.02753	3.1
278.03760	3.0
278.09961	9.2
278.60049	2.2
279.03830	3.6
291.07416	25.3
292.07974	2.8
293.10901	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03947	4.3
53.94074	0.7
55.01864	0.9
55.05512	17.0
55.50198	0.8
56.93802	0.7
57.07057	3.6
65.03914	1.2
67.05503	34.1
69.07066	13.3
69.21078	2.8
69.21493	6.8
71.04979	2.0
71.08617	1.0
73.16910	0.7
73.69532	0.8
77.03903	1.7
79.05492	77.6
81.07056	36.0
83.04980	1.3
83.08614	7.0
85.06539	1.5
87.43562	0.8
91.05481	29.4
93.07041	100.0
95.04958	6.3
95.08604	25.7
97.06525	2.0
97.10151	3.8
98.21564	1.3
99.08031	1.0
103.05466	0.9
105.04533	1.9
105.07029	14.1
107.08592	52.0
108.08964	1.0
108.39171	0.9
109.02877	0.7
109.06496	3.8
109.10150	13.7
111.08035	1.0
117.07024	3.4
119.08591	10.8
121.06488	1.3
121.10139	36.7
123.08065	1.1
123.11690	2.9
125.09638	1.2
126.71372	0.8
128.32370	0.8
129.07021	1.6
131.08548	5.0
133.10114	12.4
135.11688	54.1
143.08575	2.6
145.10112	2.8
147.11678	5.4
149.13255	23.4
157.10159	1.3
159.11697	2.7
161.13226	4.1
163.11244	1.4
163.14864	5.6
167.10677	1.4
171.11642	2.5
173.13266	2.0
175.11282	0.9
175.14807	2.6
177.12813	1.3
185.13306	2.0
189.12823	1.8
189.16473	0.9
193.12309	1.2
195.13780	2.2
199.14807	2.0
207.13795	2.0
213.16330	1.5
221.15382	3.7
235.17003	4.6
241.19444	2.5
259.20538	3.1
277.18524	2.2
277.21616	64.1
279.66718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03945	21.6
55.01871	8.3
55.05510	35.9
57.03440	3.8
57.07074	54.8
65.03932	4.2
67.05505	71.4
69.07067	46.2
71.05001	5.6
71.08630	11.7
79.05495	71.4
81.03416	64.5
81.07055	76.4
83.04984	17.2
83.08627	12.1
85.06542	4.6
91.05479	42.8
93.07039	79.7
95.04968	51.2
95.08598	35.1
97.06522	4.0
97.10168	6.6
99.08079	9.6
105.07030	35.2
107.04945	4.2
107.08589	44.6
109.06499	11.8
109.10159	21.1
111.08076	6.1
112.06149	1.9
117.07024	7.2
119.08588	24.6
121.06502	5.8
121.10125	24.6
123.08070	4.5
123.11700	8.4
125.09641	8.9
129.07034	5.5
131.08578	9.4
133.10144	22.7
135.08057	4.4
135.11694	19.7
137.09604	3.2
143.08582	4.8
145.10146	6.5
147.08018	3.0
147.11674	19.6
149.02313	2.0
149.09659	3.3
149.13234	14.4
151.11182	44.2
153.09125	5.5
157.10129	2.9
159.11739	5.2
161.09627	3.8
161.13268	15.6
163.11217	2.8
163.14845	6.2
165.12749	17.0
171.11679	6.3
175.11223	4.0
175.14828	7.5
177.12796	4.4
179.10693	29.5
179.14200	9.7
185.13283	4.4
189.12628	2.8
189.16435	3.3
193.12201	2.5
199.14902	4.2
203.14301	2.3
207.13884	7.9
217.15829	2.7
217.19519	3.7
219.13947	2.1
221.15474	3.3
231.17352	2.3
231.21031	12.4
235.16920	85.9
241.19559	7.1
249.22188	3.9
259.20584	9.5
277.03351	4.0
277.14981	4.6
277.18030	81.5
277.21637	100.0
278.18515	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03933	4.8
55.05512	18.4
57.07056	3.1
62.74823	1.9
66.69174	2.2
67.05182	2.7
67.05509	36.8
69.07065	15.8
70.18729	4.1
70.19131	3.6
71.04979	2.9
72.31419	1.8
79.05492	80.1
81.07053	41.7
83.04941	2.1
83.08605	5.5
91.05475	25.2
93.07041	100.0
95.04950	5.0
95.08608	27.4
97.10141	2.8
105.04577	2.0
105.07014	16.6
107.08596	45.9
109.10161	14.5
111.88642	1.9
112.04252	1.7
119.08565	11.9
121.10144	51.5
123.11668	4.1
129.06993	3.0
131.08585	4.1
133.10152	13.4
135.10718	3.2
135.11691	50.1
139.31717	1.8
143.08502	3.0
144.58939	2.0
145.10109	4.1
147.11684	7.2
149.13222	17.8
157.06306	2.0
159.11819	3.2
161.13249	4.8
163.14809	7.5
171.11647	3.9
171.80299	1.9
185.13235	3.0
221.15363	3.4
235.16919	4.2
241.19594	2.3
259.20532	5.6
277.21622	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	20.6
61.02936	3.4
69.03452	6.2
69.88498	5.3
69.88899	10.1
74.73684	2.6
84.96027	5.5
85.02902	8.7
86.09669	2.9
86.90992	2.7
97.02895	9.0
98.97585	35.6
101.00874	37.4
102.27114	3.3
104.96602	2.7
110.97572	11.7
112.99120	3.7
113.00895	7.9
116.98622	21.1
119.01919	64.8
121.01646	3.1
127.02424	3.4
128.98610	13.4
131.01897	23.7
133.01793	3.0
133.03450	8.1
134.99701	6.4
137.02939	8.5
143.01898	24.2
145.03468	17.6
146.99655	6.2
147.01335	2.7
149.01311	4.2
149.02898	3.3
152.43590	3.0
155.01872	16.1
157.03479	17.7
158.99651	7.4
161.02956	100.0
163.04529	3.6
167.01886	3.7
170.99568	5.0
173.02922	22.8
175.04451	11.1
176.08200	31.5
177.00772	8.1
179.04027	5.2
185.02975	21.6
187.04391	4.7
191.04010	4.0
197.02971	9.5
198.01534	2.4
203.03862	10.3
205.05678	3.0
213.01814	4.5
215.03796	6.0
217.05598	3.8
219.01779	11.6
221.05043	3.9
231.03021	15.1
232.07217	9.3
237.02782	21.7
239.46860	3.0
245.05070	33.2
246.43060	3.3
247.70967	3.4
249.09944	4.3
259.02383	22.4
263.06116	4.5
277.03397	54.6
277.07645	50.2
286.07513	3.2
295.07056	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	277.0342
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
55.01860	0.6
55.05486	0.5
57.07082	1.4
58.05340	0.3
67.05502	0.7
67.93885	0.3
69.03439	1.0
69.07076	0.5
71.08340	0.8
73.97694	0.3
79.05502	0.7
81.03426	1.5
81.07050	0.9
84.08141	0.6
85.02903	1.0
89.54487	0.4
91.05464	2.4
91.28997	0.3
93.07056	0.6
94.41853	0.3
95.04968	0.7
95.08611	0.5
97.02902	1.0
97.06512	0.5
100.07650	0.4
101.93103	0.3
103.05453	2.9
105.03404	0.7
105.07038	0.6
107.08585	0.7
109.02872	0.5
115.05479	0.5
117.07072	0.4
119.04955	1.8
119.08572	0.4
121.06551	0.3
123.04456	0.7
127.03903	0.8
129.03368	1.3
131.04930	2.5
135.11720	0.3
143.04929	0.4
147.04401	3.6
149.02260	0.5
151.03911	1.1
153.27362	0.4
156.08038	0.4
157.02855	4.7
159.04399	0.8
160.07494	0.4
161.02330	0.5
161.05922	0.6
163.03957	0.5
173.02361	0.5
175.03902	5.6
177.05276	0.5
179.10667	0.5
185.02324	4.4
185.06003	0.7
186.09148	0.4
187.03909	10.3
193.04947	0.4
203.03384	9.3
205.05058	0.5
213.01828	8.1
213.05229	0.4
215.03363	7.2
217.04996	0.9
230.01999	0.4
231.02878	35.1
232.03194	0.6
234.33432	0.4
234.99022	0.4
235.16872	2.4
241.01283	6.0
259.02377	47.5
260.02887	0.8
277.03418	100.0
277.17969	2.1
278.03751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1959
Annotation	Lycoflexine
Peak:m/z	Relative Intensity
52.99604	0.9
53.03922	2.1
55.01853	5.1
55.05487	4.9
57.07061	1.3
59.04976	3.7
63.31777	1.0
65.03937	1.3
67.05503	8.0
68.05004	3.0
69.03403	2.1
69.06734	1.2
69.07069	10.6
70.06589	1.2
71.04966	3.8
71.50932	1.4
79.05091	1.3
79.05498	18.9
81.07055	60.0
82.07408	1.3
83.04964	4.1
83.08598	1.5
84.04499	6.7
84.08145	23.6
85.02884	3.9
85.06536	1.4
91.05476	11.2
93.07043	21.8
95.04954	5.3
95.08604	10.3
97.06504	2.8
99.04465	10.1
105.07027	29.9
106.07339	3.2
107.04895	2.1
107.07371	1.5
107.08591	20.9
108.08144	2.0
108.08891	1.6
109.06525	15.1
109.10166	11.9
110.06018	3.6
110.09627	1.5
113.06052	1.3
115.45067	1.1
117.06988	1.6
117.90598	1.2
118.07809	1.5
119.08582	14.1
120.08115	10.7
120.08897	1.6
121.08871	1.7
121.10110	4.8
122.09676	1.3
123.08037	3.1
123.11683	2.4
124.07545	3.4
129.06996	1.3
131.08533	5.2
133.06461	2.4
133.10129	82.1
134.10449	2.1
135.08052	11.2
135.11714	1.0
136.07516	1.2
137.05971	1.2
137.09595	2.6
137.13220	2.2
138.09135	13.1
142.07774	2.7
143.08504	1.5
145.10121	2.8
147.08064	1.3
147.11688	13.7
148.07535	1.8
149.13216	3.7
151.03857	1.8
151.07504	1.6
151.11171	6.8
154.41341	1.1
157.10156	5.4
159.11664	2.6
161.09607	1.5
165.11438	2.1
165.12749	25.3
165.14127	1.2
166.08626	16.9
173.13277	2.0
175.11201	8.4
175.14778	3.5
179.10603	1.2
193.12230	15.4
195.12415	1.3
199.14749	2.9
202.12239	1.8
216.17502	2.0
217.15901	3.1
217.24504	1.3
220.13290	2.0
233.15623	1.4
234.18600	1.9
235.16681	1.3
258.18567	17.6
276.06436	1.9
276.19580	100.0
277.19803	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.83387	0.7
53.03933	3.1
55.01861	2.9
55.05243	1.0
55.05509	16.5
57.03421	2.0
57.07056	1.5
63.09745	0.9
65.03922	1.5
67.05503	21.7
69.03419	1.9
69.06730	1.1
69.07065	11.6
69.57566	1.7
69.57972	4.4
71.04974	2.4
77.03909	0.9
79.05489	26.2
81.03419	3.6
81.07053	27.8
83.04977	2.8
83.08615	7.4
85.06538	1.4
91.05476	41.1
93.06497	1.6
93.07042	23.0
94.20143	0.7
95.04979	4.9
95.08598	16.5
97.06533	5.9
97.10151	2.6
99.04472	0.9
99.08063	1.2
101.69151	0.7
103.05456	2.7
105.07027	53.5
106.07349	1.2
107.04964	6.5
107.08587	18.2
109.06535	5.2
109.07139	1.1
109.10148	9.6
111.08054	2.1
111.11684	1.2
115.05447	1.0
117.07021	12.3
118.07806	0.8
119.08578	37.4
121.06481	5.7
121.10136	11.5
123.08067	2.8
123.11689	3.3
123.49789	0.7
125.09600	2.3
129.06996	3.4
131.04930	4.0
131.08553	17.0
133.06483	1.9
133.10118	37.7
134.10416	1.0
135.08057	3.7
135.11682	6.0
137.09621	4.4
141.07001	2.4
143.08565	3.0
145.09056	1.5
145.10121	15.6
147.08044	2.2
147.11679	20.3
149.09622	7.6
149.13232	2.5
151.11150	3.1
155.08554	1.6
157.10106	2.9
159.11687	9.0
161.09627	2.6
161.13257	6.0
163.11156	6.9
163.14844	1.1
165.09123	1.0
165.12743	1.9
169.10133	2.3
171.11708	4.4
173.09618	1.1
173.13232	7.2
175.11133	2.6
175.14786	2.2
177.12741	2.9
179.14326	1.5
183.11679	2.6
185.13211	1.3
187.11246	2.2
187.14822	2.1
189.12741	1.4
191.10670	0.8
191.14252	1.7
193.12231	1.6
197.11578	1.3
197.13292	3.7
199.14691	0.9
201.12721	1.7
201.16351	1.6
202.62787	0.7
205.12103	1.0
211.14911	1.3
213.16306	1.0
215.14484	1.6
215.17896	0.8
217.13402	0.7
217.15776	1.2
229.19456	7.5
231.08804	0.9
233.15419	1.0
233.18947	1.3
239.17993	9.0
247.20631	4.1
257.18967	15.5
257.21823	1.0
257.22769	0.9
275.09067	2.9
275.20050	100.0
275.23117	3.2
276.20444	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.11774	0.9
53.03934	2.8
55.01880	7.3
55.05511	30.7
55.22375	1.0
57.03428	2.6
57.07066	1.6
59.04972	1.2
65.03920	1.9
67.05508	38.4
69.03439	1.5
69.07058	12.3
70.61903	0.9
70.67364	2.1
71.04985	2.7
73.29525	1.1
74.63039	0.8
79.05494	47.7
81.06599	2.0
81.07054	28.7
83.04967	3.0
83.08613	6.5
83.60812	0.9
88.07624	1.0
91.05482	36.2
93.07042	29.6
95.04958	3.5
95.08606	14.3
97.06533	4.3
97.10166	5.0
103.05463	1.7
105.07030	57.0
107.04958	24.7
107.08591	35.0
109.06517	3.6
109.10157	18.9
111.08080	2.8
115.05464	1.3
117.07027	13.9
119.08583	35.6
121.06510	2.7
121.10148	13.5
123.08087	1.9
123.11702	3.9
125.09660	4.6
129.07002	2.1
131.08560	15.2
133.10129	34.1
134.59782	1.1
135.08060	6.8
135.11679	3.5
137.09554	1.1
143.08546	2.6
145.10126	15.2
147.08078	1.6
147.11685	24.0
149.09618	51.5
149.13182	1.1
153.09077	1.9
155.08537	2.0
157.10104	3.0
158.79720	1.0
159.11688	13.8
161.09653	1.1
161.13223	7.5
163.11162	3.0
169.10132	1.5
171.11685	2.6
173.11702	4.0
173.13254	5.5
173.14539	0.9
175.11183	1.8
175.14839	1.7
177.12691	1.2
179.10741	1.7
183.11684	1.3
187.11140	2.4
187.13284	2.2
187.14806	2.4
197.13266	2.3
201.12720	0.9
202.96448	1.0
211.14914	1.2
213.16446	1.2
215.17986	2.5
229.19511	13.3
233.15361	2.0
239.17966	2.9
247.20612	3.8
257.16577	1.7
257.19000	15.5
275.16986	3.3
275.20053	100.0
275.27676	5.9
276.20432	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.59276	1.0
53.03938	3.2
55.01869	16.1
55.05511	15.5
59.41138	1.0
60.44394	1.0
65.03904	1.1
67.05503	24.0
69.07069	14.1
71.04992	1.9
79.05491	26.2
81.03398	2.7
81.07056	42.0
83.04979	3.5
83.08632	5.2
85.06541	1.6
85.16141	1.2
91.05480	56.3
93.07040	24.7
95.01313	1.6
95.04985	5.8
95.08607	15.8
97.06535	19.2
97.10159	2.7
103.05473	2.1
104.06245	1.3
105.07030	100.0
107.04947	6.5
107.08587	14.7
109.06509	2.4
109.10154	7.3
113.06047	1.3
115.05415	1.4
117.07014	12.2
119.08579	43.4
121.06480	2.4
121.10150	8.1
123.08064	2.2
123.11690	1.1
125.09595	1.8
129.06976	1.7
131.08569	18.7
133.10124	54.2
135.08063	2.7
135.11696	4.6
137.09567	1.8
143.08560	3.2
145.10121	17.9
147.11690	20.1
149.09641	3.2
149.13280	2.0
151.11151	2.6
157.10130	2.8
159.11658	9.3
161.09619	1.5
161.13234	3.0
163.11197	2.9
165.09131	4.0
171.11642	3.1
173.13231	2.9
175.11188	2.0
177.12743	2.6
179.14255	1.4
183.11653	2.5
185.13286	1.0
189.12740	1.4
190.07822	1.1
197.13322	2.8
215.18007	1.2
219.13783	1.6
229.19498	3.1
233.15359	1.1
239.17918	3.5
243.95650	1.1
247.20535	3.9
257.19077	9.1
275.20062	83.1
275.27747	3.6
276.20474	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72783	1.2
53.03939	2.5
55.01865	2.8
55.05509	15.1
57.03431	3.8
57.07065	4.6
58.07421	1.7
65.03915	1.4
67.05502	20.4
69.03404	1.9
69.07069	10.5
69.99603	5.8
70.06581	5.3
71.04990	6.1
71.06926	1.7
71.08606	1.3
73.60248	1.3
79.05492	26.8
81.03396	1.5
81.06593	2.0
81.07055	31.2
83.04975	4.0
83.08618	7.1
85.06536	3.8
86.43854	1.1
88.07623	4.6
89.07970	1.9
91.05479	38.1
93.07037	26.2
95.04962	5.1
95.08603	14.6
97.06514	2.5
99.04418	1.4
102.09176	1.9
103.05471	1.5
105.07030	52.1
106.08659	3.2
107.04964	6.1
107.08575	16.3
109.06520	10.3
109.10140	7.4
111.08071	3.8
117.07011	10.3
119.08575	35.0
121.06496	2.4
121.10151	13.5
123.08054	6.3
123.11675	2.0
125.09622	1.9
129.06969	3.2
130.07764	1.6
131.08562	17.6
133.09125	2.5
133.10132	39.5
135.08086	8.8
135.11711	7.0
137.09608	4.1
142.07803	2.0
143.08563	6.0
144.09367	1.8
145.10112	17.9
147.07986	1.6
147.11687	19.1
149.09628	7.0
149.13231	1.5
151.11156	2.1
155.08549	2.5
157.10123	10.3
158.10915	1.6
159.07990	1.3
159.11699	18.0
161.09665	2.0
161.13277	7.2
163.11169	4.3
165.12639	1.4
169.10115	3.5
171.11705	4.7
173.09665	1.4
173.13264	16.4
174.13960	1.9
175.11165	5.0
175.14821	2.5
177.12741	4.7
183.11693	3.3
185.13293	3.0
187.11142	3.5
187.14851	2.2
191.14243	2.9
197.13293	4.3
199.14790	4.1
201.12750	3.4
201.16344	1.9
203.14302	3.2
209.13112	1.3
213.16374	1.8
215.14397	1.9
215.17976	1.9
217.15942	2.7
219.13780	1.4
228.38503	1.3
229.19589	3.3
239.17969	7.1
244.23819	1.2
247.20525	2.3
257.19034	13.9
257.26663	2.6
258.12030	1.4
275.20059	100.0
275.27734	49.1
276.20288	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.99061	0.9
53.03938	2.9
55.01863	2.8
55.05281	1.0
55.05510	14.6
57.03424	3.0
57.07063	4.0
61.48207	0.9
65.03934	1.8
67.05502	20.8
69.03406	1.1
69.07066	12.6
70.06583	4.5
71.04988	6.7
71.06928	1.2
77.03914	1.3
79.05487	22.1
81.03410	1.8
81.06598	1.7
81.07051	25.2
83.04973	4.3
83.08603	5.3
83.34511	1.0
84.93890	1.2
85.06537	5.0
85.10162	1.1
88.07629	5.7
89.07949	1.8
91.05471	38.1
93.07043	25.1
95.04961	5.6
95.08596	17.6
97.05892	0.9
97.06527	5.2
97.10142	2.0
102.09155	1.9
103.05437	1.4
103.61350	1.0
105.07024	53.2
106.08653	3.0
107.04938	5.9
107.08576	18.8
109.06516	9.9
109.10160	8.6
111.08077	7.5
115.05422	2.1
117.07009	10.1
119.07705	1.8
119.08572	35.7
121.06467	4.3
121.10135	15.1
123.08041	4.5
123.11660	2.4
125.09603	1.5
128.06192	1.6
129.07010	5.1
130.07843	1.1
131.08559	23.2
133.10126	39.2
135.08029	10.4
135.11652	5.7
137.07802	1.0
137.09601	4.0
141.06993	2.2
142.07724	2.5
143.08536	8.0
144.09329	1.9
145.10110	20.6
145.11189	0.8
147.08072	2.2
147.11676	19.8
149.09622	7.4
149.13255	2.9
151.11145	2.7
155.08507	3.6
156.09361	1.2
157.10130	8.5
158.10852	2.5
159.11685	18.9
161.09596	2.7
161.13275	4.8
163.11183	4.8
163.14757	1.2
165.12767	1.2
168.09294	1.8
169.10129	3.4
171.11668	5.4
173.09569	2.0
173.13232	23.5
175.11177	5.8
175.14790	3.9
177.12723	3.7
183.11687	5.0
185.13226	3.6
187.11180	3.1
187.14835	3.1
189.12860	2.0
191.14313	4.7
197.13252	4.5
199.14819	6.0
201.12740	4.6
201.16347	1.6
203.14439	1.5
204.04034	1.2
211.14752	1.6
213.16437	2.8
215.14217	1.5
215.17897	2.5
219.13771	2.1
229.16005	1.5
229.19527	5.0
239.17943	7.2
247.16643	1.0
247.20438	2.2
257.18964	16.2
257.26648	3.3
275.04944	1.5
275.20050	100.0
275.27722	51.4
276.20270	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75875	0.6
55.05513	0.9
56.96553	1.3
57.03432	0.7
63.62116	0.6
67.05489	1.5
69.03419	1.5
70.26574	2.4
71.05008	0.8
73.06541	0.8
81.03416	1.2
81.07047	0.9
85.02884	1.3
91.05475	1.1
95.04945	0.9
95.06030	0.6
97.02857	1.2
98.97562	1.1
105.07040	1.0
106.34775	0.6
108.93076	0.6
109.02862	0.7
110.18500	0.7
111.04428	0.8
113.05984	1.2
113.07098	1.4
116.98624	1.1
117.07048	0.7
119.01920	1.5
120.04481	0.7
128.89774	0.5
128.96352	0.7
129.07066	0.7
134.99594	0.8
141.06664	0.6
145.04951	0.7
145.06459	0.8
145.22337	0.6
146.99673	0.7
153.01811	0.8
155.04869	1.8
161.07126	0.6
173.06377	0.8
178.93600	0.8
187.04091	0.7
187.07526	1.0
191.03432	1.0
201.05457	1.1
213.05446	2.5
214.06099	1.4
215.07060	1.4
216.04138	1.4
221.05023	0.8
229.04961	10.5
237.02936	1.3
247.06018	1.1
257.02399	0.8
257.18982	0.6
275.05521	3.5
275.11008	100.0
276.11472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.3
55.01866	2.8
55.05270	1.0
55.05510	12.2
56.12923	0.7
57.03415	1.5
57.07073	1.3
60.41232	0.7
61.10612	0.6
64.74850	0.7
65.03937	1.1
67.05501	18.4
69.03434	1.5
69.07067	9.9
69.86712	3.5
71.04978	2.2
79.05493	19.1
81.03417	1.0
81.06598	1.2
81.07054	21.6
82.17632	0.7
83.04963	2.8
83.08633	4.7
85.06534	1.6
88.07621	0.8
91.05478	37.4
93.07043	19.6
95.04975	4.4
95.08604	13.0
97.06511	2.7
97.10162	2.9
98.20788	1.4
101.00861	1.0
103.05450	1.3
105.03335	0.7
105.07029	53.9
107.04976	3.8
107.08582	15.0
109.06512	3.4
109.10164	6.6
111.08080	1.7
115.05441	1.1
117.07012	9.1
119.01895	2.9
119.08578	32.8
121.06520	3.4
121.10124	9.7
123.08071	2.5
123.11702	1.4
125.09616	1.7
129.07008	2.4
130.07816	0.8
131.08562	14.0
132.09322	0.8
133.03468	0.8
133.06485	1.1
133.10120	34.3
135.08073	4.6
135.11679	3.7
137.09622	2.7
141.06888	1.2
143.08565	2.6
145.03476	1.2
145.06410	0.8
145.10109	13.7
147.08047	1.6
147.11685	21.8
149.09651	5.4
149.13240	1.4
151.11153	1.3
155.08540	2.1
157.03532	0.8
157.10164	3.8
159.11694	9.0
161.09641	1.9
161.13254	6.6
163.11082	3.6
166.63284	0.9
169.10106	1.9
171.11697	2.8
173.09598	1.1
173.13257	5.1
175.11037	1.9
175.14757	2.0
177.12755	1.9
183.11708	2.7
185.02901	1.2
185.13226	1.4
187.11130	1.1
187.14790	1.5
191.14244	0.9
193.12106	0.8
197.13293	2.8
199.14749	1.2
201.12688	1.6
201.16335	1.1
203.14259	0.9
207.14040	0.9
213.16411	0.9
215.14316	1.3
215.17943	2.0
217.15857	1.5
219.13776	1.3
229.16026	0.8
229.19504	2.7
233.15266	0.7
234.18597	0.9
239.17918	2.8
247.20634	1.9
257.19022	8.5
257.21866	1.2
257.22302	1.1
275.05148	1.2
275.20062	100.0
275.27817	2.7
276.06561	2.1
276.20239	2.9
292.93134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.96561	10.9
57.03433	0.9
61.02929	1.5
67.05483	1.6
69.03424	3.6
70.06580	1.2
70.23990	2.4
70.65852	0.5
70.98135	1.3
71.04980	0.7
73.02922	1.3
77.00893	1.0
79.05494	1.0
81.03405	1.4
81.07046	0.7
83.04990	1.4
84.04508	0.8
84.08132	0.9
84.96043	0.7
85.02879	4.2
87.84927	0.6
88.99120	0.6
91.05486	1.3
95.04958	1.4
95.08629	0.7
97.02879	3.0
98.97578	10.3
99.04440	1.1
101.00880	4.9
105.00394	1.1
107.04951	1.0
109.02892	2.1
109.06522	0.6
110.97576	1.0
111.04452	0.6
113.00867	1.7
113.06027	0.6
114.05559	1.5
115.02425	1.7
116.98618	7.0
119.01918	20.2
122.60204	0.6
123.04427	0.8
127.02398	0.9
127.03928	1.0
128.02357	0.5
128.98624	1.7
131.01915	7.1
131.05534	1.4
133.03471	2.3
134.99666	4.9
137.02963	5.9
137.05971	1.2
142.03564	1.1
143.01884	7.9
145.01726	0.7
145.03471	8.4
146.99680	2.1
149.02983	1.7
149.06631	2.3
153.00670	0.6
153.01805	7.6
155.01884	4.4
156.02695	1.4
157.03510	2.7
158.99660	1.3
159.05029	2.2
161.01477	1.3
161.02956	14.5
163.04553	1.2
165.00758	1.5
167.05467	0.9
167.06920	0.7
168.05263	0.7
169.03447	3.9
171.05107	1.9
172.97639	1.8
173.01512	1.0
173.02986	7.7
173.06596	4.0
173.13272	0.6
175.04539	1.1
177.00742	1.8
177.06038	2.1
184.04579	0.9
185.02905	3.5
185.06587	4.2
187.04495	6.4
187.08167	1.2
189.02452	1.1
190.98618	4.5
191.03581	1.4
191.07736	1.4
194.03421	0.8
197.02954	1.5
203.03986	2.9
203.07613	3.4
205.05589	1.2
208.99783	1.7
213.02440	0.8
214.06178	0.8
215.04050	1.6
215.07658	2.9
217.05554	1.1
218.98082	1.2
219.01669	0.9
221.05054	7.6
229.05556	2.8
232.99684	1.7
237.02852	2.4
245.08202	0.9
247.02730	0.9
247.06610	1.7
251.00604	0.8
257.04752	0.8
257.08810	1.7
257.15228	0.8
267.60992	0.6
274.97409	3.0
275.06097	7.3
275.11032	100.0
276.11359	0.9
292.98453	1.1
293.03848	1.3
293.07214	1.9
293.10840	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	275.0913
Annotation	Lecanorin
Peak:m/z	Relative Intensity
53.03936	0.8
55.01862	0.3
55.05504	1.1
56.96562	0.2
57.03448	0.2
57.07065	0.5
67.05503	0.8
69.03418	0.6
69.07067	1.5
71.04995	0.2
71.50842	0.3
71.51247	0.3
76.44430	0.2
76.98098	0.2
78.10077	0.2
79.05487	1.8
81.03410	2.4
81.07042	1.9
83.04990	0.5
83.08631	0.3
85.02915	0.5
85.06540	0.3
91.05479	1.4
93.07050	2.6
95.04951	1.4
95.08597	3.2
97.02870	0.3
97.06547	0.6
103.05453	0.7
105.07021	1.8
107.04948	100.0
107.08588	2.5
108.05293	0.9
109.02872	0.7
109.10160	1.5
111.04443	0.3
117.07030	0.3
119.08588	2.2
121.06531	0.6
121.10142	2.8
123.04436	0.7
123.08084	0.2
123.11711	0.9
127.03920	1.4
129.07010	0.4
131.04933	2.2
131.08571	1.1
133.10146	1.2
133.59860	0.2
135.11668	1.4
137.09586	0.3
137.13254	0.3
139.03903	0.3
141.06956	0.3
143.08545	0.5
145.06557	0.2
145.10100	1.1
147.08089	0.3
147.11649	1.3
149.05965	0.7
149.09616	0.7
149.13274	0.9
151.03864	1.9
155.08578	0.3
157.10204	0.2
159.11667	1.8
161.09650	0.2
161.13313	0.7
163.14897	0.4
169.04955	10.8
173.09570	0.2
173.13245	1.2
175.07549	0.2
175.14819	0.6
177.16342	0.4
181.53764	0.2
184.66808	0.2
187.14806	0.9
189.16321	0.6
193.15930	0.2
199.14883	0.2
201.16412	0.7
215.17963	0.7
217.19501	0.4
219.06807	0.2
229.12355	0.2
257.11777	0.2
257.22592	2.1
275.09164	2.1
275.13019	0.6
275.17206	0.4
275.20166	1.2
275.23727	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	275.0912
Annotation	Methysticin
Peak:m/z	Relative Intensity
55.01857	9.3
61.15063	2.2
67.05492	5.7
68.99774	2.3
69.03419	3.8
71.04974	10.3
71.51205	2.2
71.51602	4.0
79.05471	7.0
81.03421	3.1
81.07061	4.2
85.02877	6.6
91.05457	6.7
95.04959	5.0
97.02866	2.8
97.23440	2.2
103.05444	5.3
104.06244	2.4
105.07047	4.6
107.04944	3.0
109.02818	3.3
112.19186	2.2
113.05969	2.7
115.05449	29.7
116.06238	4.1
117.05412	3.3
117.07005	6.6
118.04138	5.1
119.01937	3.4
119.04926	2.6
127.03907	2.9
128.06198	7.6
129.03334	6.3
129.07001	13.8
130.07779	3.5
131.04924	9.7
131.08549	7.4
132.05684	9.7
133.06468	3.9
135.04445	2.4
139.05356	4.9
140.06146	2.9
141.06979	58.9
143.04907	12.2
144.05705	14.2
145.06480	15.4
146.03610	12.6
147.04378	4.8
147.11676	3.0
153.01788	2.4
153.06960	7.7
155.04872	6.9
155.06042	3.1
157.02829	9.9
157.06461	13.2
158.07240	14.2
159.04388	6.0
159.08054	13.2
160.05199	12.2
160.41060	2.3
161.05978	22.5
163.03873	6.4
165.06990	6.0
166.95363	2.5
167.04854	3.2
168.05679	14.2
169.06491	55.9
170.07230	3.9
171.04387	20.7
172.05161	6.6
173.05893	11.9
174.03143	3.6
174.07890	3.2
175.03888	4.5
175.07530	8.6
177.05446	8.9
183.04382	6.7
183.08031	8.8
185.05920	12.5
186.06750	23.3
187.07533	22.0
188.04651	5.7
189.05461	27.1
190.06084	4.7
191.03453	4.2
191.07028	23.2
196.05145	7.7
197.05963	45.5
198.06732	3.9
199.03824	9.4
200.04645	15.4
201.05438	10.5
201.09084	14.1
202.06078	2.3
202.10913	2.6
203.03488	3.0
203.06975	16.5
203.11761	3.5
204.07733	7.0
205.04955	3.4
205.08640	7.0
211.07503	9.8
213.05406	5.0
214.06248	19.2
215.03389	5.1
215.07007	47.2
216.04150	3.2
217.04935	9.8
225.05402	5.8
226.06163	3.1
229.05034	12.3
229.08533	36.5
229.13358	2.6
230.05742	3.6
231.06517	24.8
232.07246	8.3
233.04454	3.5
233.08055	3.9
239.06956	5.8
242.05684	13.8
243.06526	33.7
245.04436	14.6
245.08145	4.6
247.09685	27.3
257.04346	4.3
257.08020	30.9
257.12708	3.9
260.06760	52.3
275.01956	5.6
275.05420	11.0
275.09106	100.0
275.13815	5.4
275.20129	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	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
54.52231	4.0
55.05521	25.4
57.07080	10.4
57.23085	3.9
58.08315	4.3
67.05502	34.9
69.07072	54.3
71.51530	6.6
73.08022	4.0
78.55766	3.8
79.05478	17.4
81.07062	80.3
83.08609	13.9
91.05486	19.8
93.07051	48.7
95.04950	6.4
95.08604	82.4
97.10165	16.3
101.40712	4.0
105.07030	38.0
107.08595	64.0
109.10160	74.1
111.11655	8.0
119.08592	26.2
121.10142	59.0
123.11702	48.4
133.10155	23.4
135.11702	38.0
137.13264	12.3
137.97418	4.5
145.10089	9.2
147.11667	21.0
149.13255	51.4
151.14822	5.8
151.64723	4.4
153.01833	9.5
159.11684	6.5
161.13280	31.9
161.14450	3.4
163.14816	29.9
175.14848	14.9
177.16367	16.8
189.16353	23.2
191.17976	8.1
194.00060	4.4
203.17973	19.1
217.19501	26.5
273.07565	4.6
273.18634	13.2
273.22815	7.8
273.25763	100.0
287.33911	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	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65225	1.0
57.76709	1.0
65.03943	1.2
67.05485	1.8
71.27187	2.0
82.99861	1.6
83.04990	1.7
85.60939	1.0
93.03395	1.2
95.04953	3.5
97.02886	1.6
101.00874	22.0
109.01376	1.5
115.02434	1.3
119.01923	62.2
119.24928	1.0
120.02034	2.5
121.02867	5.1
127.02421	9.4
131.01929	1.6
133.03464	1.2
137.02957	15.0
139.03874	1.5
140.82472	1.0
142.03479	1.5
142.34334	1.1
143.01915	2.9
145.03468	44.2
146.03604	1.5
157.03482	7.7
159.05060	2.9
161.02977	7.5
161.06593	2.1
163.04483	3.6
167.02008	1.2
169.03458	49.6
170.03590	1.7
170.42313	1.0
171.01303	1.6
171.05031	9.2
175.04523	3.1
183.05045	1.3
183.58321	1.1
185.02954	20.7
185.04425	1.9
185.06551	3.3
186.03104	1.1
187.04527	74.7
188.04651	2.2
189.02434	3.1
189.06053	2.2
195.05054	3.7
197.02945	14.4
198.50771	1.0
203.04042	6.2
205.05605	11.5
210.06168	3.1
211.04385	5.5
213.02466	1.2
213.06120	3.6
215.04021	14.8
221.02940	3.4
229.05588	39.5
230.05722	2.5
231.03477	3.1
231.07130	1.3
239.04033	2.8
247.06635	29.9
248.06847	1.2
249.04683	1.8
253.60080	1.1
257.05078	4.8
270.08099	2.0
275.06119	100.0
276.06171	2.8
293.07175	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.38873	1.1
51.39447	1.4
51.89389	1.4
54.12370	1.1
55.05505	11.5
57.07067	2.9
67.05499	9.3
69.07063	37.9
70.55444	4.3
71.12762	1.4
79.05482	10.5
81.07053	30.4
83.08627	9.3
83.17505	1.5
84.05074	1.2
89.43170	1.2
91.05479	4.5
93.07031	25.0
95.08600	29.5
97.10162	4.2
105.07018	9.7
107.08585	39.4
109.10149	26.9
111.11707	5.9
119.08594	8.6
121.10141	26.1
123.11665	9.2
125.13277	1.3
129.78079	1.3
133.10138	8.2
135.11682	11.4
137.13223	2.9
147.11674	7.3
149.13246	42.3
151.14789	2.2
161.13239	7.9
163.14809	100.0
175.14850	7.2
177.16304	10.5
189.16362	5.2
191.17935	16.1
200.99715	1.2
203.17940	11.7
217.19504	13.3
231.21101	2.5
273.25766	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1118
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
50.23912	0.5
65.03939	2.3
67.05496	0.6
68.99777	2.6
69.07063	0.8
69.35947	1.1
69.36354	4.0
76.98539	0.5
79.05483	2.7
91.05478	100.0
92.05815	0.9
95.04959	1.2
103.05457	1.9
105.07027	86.6
115.05450	18.8
115.06268	0.6
117.07018	3.6
121.06509	0.7
123.04432	2.0
128.06210	0.6
129.07004	3.6
133.06485	13.7
137.05946	1.0
139.03900	8.2
141.05452	5.7
143.08609	0.6
145.03105	0.6
152.06194	2.1
153.05458	6.7
153.06927	1.7
155.08575	3.7
157.06454	5.3
162.03098	1.8
165.05624	1.3
165.07016	1.6
166.07750	1.2
167.03445	1.1
167.07248	0.9
167.08568	7.2
169.04984	2.9
177.03899	0.8
177.05473	15.8
177.06868	0.6
179.08548	0.6
181.06404	1.2
185.09651	1.1
194.07304	0.8
195.08029	5.3
195.09639	0.8
212.08369	0.7
213.09152	1.7
223.07518	5.0
224.08208	0.7
227.10690	2.3
237.09012	1.1
239.06981	1.1
239.59470	0.6
240.07770	1.6
255.10155	36.8
256.10550	0.8
273.11194	29.6
273.26035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
55.05503	1.3
57.03443	0.8
65.03928	3.3
67.05493	1.6
69.03423	0.9
69.07063	2.4
71.51376	0.6
79.05482	3.2
81.03419	0.5
81.07040	2.4
82.74144	0.4
83.04960	0.6
85.06516	0.5
91.05476	100.0
91.52670	0.4
92.05792	0.8
93.07024	2.8
95.04953	1.8
95.08604	1.3
97.06523	2.0
97.10159	0.6
99.04451	0.9
103.05462	1.3
105.03397	1.7
105.07024	86.9
106.07370	0.7
107.04954	0.9
107.08580	1.9
109.02840	0.7
109.06504	1.3
109.10146	1.3
111.04447	1.0
115.05444	5.3
117.07021	0.9
119.04963	0.6
119.08594	2.1
121.02837	1.0
121.06501	1.2
121.10133	0.6
123.04407	4.6
123.08045	0.6
124.05136	0.5
125.02411	0.9
129.06976	1.5
131.04881	0.7
131.08542	1.4
133.06490	12.3
133.10109	1.2
135.04385	0.6
135.08057	0.9
137.05998	1.4
137.09631	1.0
141.05452	10.7
141.06644	0.6
141.07018	0.5
143.08549	0.8
144.05728	0.5
144.08121	0.4
145.06505	1.2
145.10100	1.1
146.09712	0.5
147.04390	1.8
147.08035	0.6
147.11646	0.5
149.02330	1.6
149.06010	0.7
151.03874	1.2
151.07541	1.0
152.06245	0.6
153.01819	1.7
153.05426	2.2
153.06941	1.1
155.08546	0.5
157.06509	3.0
157.10101	1.3
159.08014	0.8
159.11647	0.9
160.05199	0.7
161.05998	0.9
161.09598	0.7
161.13306	0.6
163.03856	0.8
163.11194	0.4
165.01862	1.8
165.05426	1.7
165.06921	1.0
167.03432	2.7
167.07115	0.6
167.08556	1.1
169.05006	3.9
169.06427	0.8
169.10118	0.5
171.08012	0.7
171.11627	0.8
173.06023	2.1
173.09552	0.4
175.03879	1.0
177.05490	2.4
181.06415	1.9
181.10117	0.6
183.08028	0.8
185.13318	0.5
187.07596	1.1
187.14743	0.8
189.05447	0.8
190.10120	0.4
194.07243	0.7
195.08069	0.7
197.05933	0.4
199.11171	1.0
201.09186	0.7
203.07120	0.6
209.09647	1.2
211.07585	0.5
213.05437	0.5
213.09050	1.3
217.08548	0.8
226.06288	0.5
227.10690	2.9
227.14153	0.5
229.08640	4.0
231.10205	0.8
233.04410	1.6
237.09056	1.8
241.08604	0.5
255.06340	0.8
255.07306	0.5
255.10144	7.2
255.17375	0.9
273.07452	4.1
273.11160	18.2
273.14743	3.2
273.18484	3.4
273.22061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
51.37480	0.4
53.03944	0.4
55.01871	0.4
65.03938	2.5
67.05506	0.9
67.06371	0.3
68.99788	2.6
69.87492	1.7
79.05492	2.2
81.07042	0.8
91.05477	100.0
92.05794	0.8
93.07047	0.9
95.04967	1.0
103.05474	1.8
105.07026	80.7
106.07355	1.0
115.05450	20.1
117.07008	4.0
118.86865	0.4
119.08567	0.6
121.06498	0.7
123.04440	1.6
125.02383	0.4
128.06232	0.4
129.07001	2.8
131.08543	0.5
133.06488	10.5
137.05981	1.4
139.03896	8.1
141.05455	4.7
141.06496	0.5
141.07042	0.7
143.08591	0.5
145.10136	0.9
146.09662	0.4
147.04428	0.9
149.02309	0.6
151.03848	0.4
152.06172	2.1
153.05460	8.0
153.06966	2.4
155.08533	3.9
157.06483	5.6
157.10098	0.5
162.03091	1.8
163.03902	0.8
164.04688	0.7
165.05432	1.2
165.07008	1.9
166.07762	1.2
167.03387	1.3
167.08565	7.0
169.04973	3.6
169.06290	0.7
175.03929	1.0
177.05473	14.3
177.06989	1.4
178.07784	0.6
181.06499	1.2
185.09605	1.4
187.11070	0.5
194.07286	0.9
195.08061	5.5
196.08751	0.4
209.09679	0.7
213.09094	1.7
222.71324	0.4
223.07524	5.9
224.08397	0.9
227.10661	2.4
237.09128	1.0
239.07010	1.0
240.07867	1.1
255.10147	34.8
256.10440	0.4
273.11203	27.4
273.18365	1.4
274.11594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
54.85794	0.4
55.01854	0.9
56.83526	0.5
65.03927	2.4
67.01861	0.7
67.05502	0.6
68.99780	3.7
69.44794	1.7
69.45217	1.7
77.03883	0.5
77.96237	0.4
79.05493	2.4
81.03393	0.6
81.07037	1.0
91.05475	100.0
92.05815	0.7
94.09876	0.4
95.04954	1.5
95.77466	0.4
99.09259	0.4
103.05450	2.4
105.07022	87.3
106.07360	0.8
107.08575	0.6
109.02886	0.5
109.10096	0.5
111.00783	0.9
111.04434	0.6
115.05447	31.7
117.07028	4.6
119.08577	0.6
121.06541	0.9
123.04424	2.6
128.06192	1.0
129.07001	3.9
131.04861	1.0
131.08554	0.4
133.06473	13.0
137.05972	1.2
139.03893	7.7
141.05452	7.3
141.06656	0.6
143.08530	0.7
147.04391	0.6
152.06183	3.2
153.01881	0.8
153.05457	7.7
153.06969	3.5
154.07704	0.4
155.08539	3.9
156.05681	0.5
157.06461	7.6
157.10126	0.5
162.03120	1.5
163.03960	0.9
165.05501	1.3
165.07008	2.0
166.07806	1.5
167.03433	1.1
167.08551	9.0
169.04970	3.0
169.06308	0.8
175.03841	0.5
177.05461	11.6
177.06903	1.0
178.07808	0.8
179.08603	0.6
181.06435	1.6
185.05846	0.6
185.09618	1.0
194.07307	0.8
195.08034	6.0
196.08830	0.6
197.06026	0.6
199.11148	0.8
209.09639	1.0
212.08339	0.8
213.09090	2.5
223.07497	5.3
227.10614	3.2
229.08539	0.6
231.10106	0.5
237.09085	0.7
239.07043	0.9
240.07751	1.0
241.05037	0.7
255.10138	40.3
256.10440	1.2
272.38919	0.4
273.07715	1.8
273.11182	32.7
273.18631	0.8
273.22156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
50.89930	0.5
52.48793	0.6
53.03924	0.5
55.01880	0.6
55.40023	0.5
58.16637	0.5
65.03942	3.1
68.99792	2.7
69.27389	1.1
69.27796	4.4
79.05479	2.0
87.50912	0.5
91.05479	100.0
92.05798	1.0
95.04958	1.0
98.20808	1.2
103.05453	2.3
105.07028	80.4
106.07368	0.7
111.04443	0.8
115.05453	15.7
117.06988	4.1
123.04408	1.2
126.03206	0.5
128.06198	0.9
129.07011	2.5
133.06482	12.5
137.05971	1.0
139.03912	8.9
141.05446	5.1
145.10069	0.5
147.04468	0.6
152.06200	1.7
153.01813	0.7
153.05455	8.4
153.06995	1.5
155.08534	3.7
157.06459	3.7
162.03088	2.5
165.05554	1.3
165.07033	1.4
167.03409	1.9
167.08594	6.2
169.04967	2.3
172.76624	0.5
177.05476	17.4
177.06812	0.7
185.09557	1.0
187.11131	0.5
194.07260	0.8
195.08023	3.6
209.09584	0.7
213.09143	0.7
222.53140	0.6
223.07549	5.1
224.08208	0.8
227.10664	1.7
233.15404	0.6
239.07036	1.1
240.07768	2.0
243.04208	0.6
252.71294	0.6
255.10153	33.6
256.10464	1.0
273.11218	25.7
273.18488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1118
Annotation	Benzyl 2,6-dimethoxybenzoate
Peak:m/z	Relative Intensity
51.10840	4.1
69.45532	27.9
69.45957	13.2
81.34202	4.5
91.05479	100.0
150.03098	5.0
165.05470	61.4
167.62459	5.3
168.03792	6.7
169.03835	11.2
255.10162	17.8
273.10516	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04660	0.3
53.03924	0.3
55.01860	0.4
65.03938	0.5
67.01863	2.7
68.99782	1.8
69.03416	1.4
69.07070	0.5
69.64032	2.4
69.64462	0.6
79.01398	0.4
79.05498	0.8
81.07043	0.5
83.01346	0.4
91.05473	6.7
93.07033	0.7
95.04968	2.5
95.08614	0.9
97.02872	0.9
97.06502	0.7
105.07019	1.1
107.04935	2.3
107.08587	0.9
109.06526	0.6
111.00787	0.4
112.93489	0.4
117.07008	0.7
119.04941	17.1
119.08575	0.9
121.02843	0.6
121.06519	0.8
121.10149	0.9
123.04426	4.6
131.08542	0.4
133.06514	0.6
133.10059	0.5
135.08043	0.7
141.06943	0.4
142.07692	0.5
143.08609	0.8
145.10072	0.6
147.04407	46.7
148.04794	0.9
151.03908	1.0
151.07463	0.4
153.01823	100.0
154.02118	0.9
156.09282	0.6
157.10114	0.5
161.06009	0.6
163.07523	0.4
165.01820	0.5
171.02879	3.2
171.11711	0.4
173.06001	0.5
173.09627	0.6
175.11143	0.6
179.03424	0.4
189.05486	1.2
197.13301	0.7
199.11191	0.9
209.09731	0.4
213.05484	0.4
213.09149	0.6
227.10719	0.4
229.08574	1.4
231.06735	0.6
255.06436	1.0
255.10103	0.9
255.17444	1.6
273.07568	78.9
273.18332	2.6
274.07925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01881	0.4
65.03924	0.6
67.01866	5.9
67.05492	0.2
68.99779	3.2
69.03419	1.6
69.07064	0.4
69.84965	1.0
69.85378	0.6
73.12933	0.3
77.56712	0.3
78.04696	0.4
79.05499	0.5
81.03434	0.8
83.01319	0.7
91.05477	6.6
93.07040	0.7
95.04960	2.7
95.08616	0.4
97.02893	1.6
105.03359	0.4
107.04951	2.9
107.08561	0.3
108.05722	2.1
109.10121	0.3
111.00815	0.9
111.04411	0.7
119.04940	14.4
119.08549	0.3
121.02869	0.5
121.06519	2.1
123.04423	8.8
125.02319	0.5
127.03896	0.6
129.01761	0.5
135.04439	0.5
143.08652	0.3
145.10106	0.4
147.04404	35.7
148.04736	0.5
151.03922	1.4
152.04697	0.5
152.06143	0.3
153.01823	100.0
154.02097	1.4
155.53773	0.3
158.07269	0.3
161.71036	0.3
163.11298	0.3
166.68024	0.3
171.02884	17.3
179.03409	1.3
181.06470	0.8
184.05138	0.3
185.05916	0.4
189.05544	0.7
195.04434	0.4
197.05853	0.4
199.07483	0.5
212.04761	0.3
213.09151	0.5
227.06981	0.4
229.08545	1.4
231.06558	1.5
241.08488	0.4
255.06573	1.0
255.14032	0.3
273.07562	69.5
274.07880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.5
67.01868	2.0
68.99779	2.3
69.03433	1.7
69.07074	0.5
71.50950	0.5
81.03412	0.7
81.07067	0.3
91.05479	7.1
95.04967	1.8
97.02899	1.1
107.04955	2.6
111.00829	0.6
111.04321	0.4
119.04942	16.6
119.08592	0.4
120.05262	0.4
121.02826	0.6
121.06498	0.7
123.04436	5.8
123.69052	0.3
128.06340	0.3
147.04410	43.0
148.04770	0.5
151.03922	0.7
153.01826	100.0
154.02164	1.1
159.09224	0.7
170.53755	0.3
171.02901	4.3
172.07594	0.5
179.03412	0.9
189.05394	1.0
205.89937	0.4
213.09143	0.5
217.04942	0.5
227.08246	0.4
229.04872	0.5
231.06723	0.4
245.04543	0.6
255.06401	0.4
273.04181	4.2
273.07562	76.5
274.04547	1.0
274.07889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.49570	0.3
55.01852	0.4
56.96554	1.3
67.01864	2.5
67.05473	0.5
68.34746	0.3
68.99789	2.0
69.03423	2.3
70.58990	0.3
71.07500	0.7
73.02899	0.6
77.51510	0.3
77.94214	0.3
81.03412	0.7
81.07056	0.4
83.01333	0.5
85.02883	0.4
87.13471	0.3
91.05471	6.7
95.04961	2.7
95.08598	0.3
97.02873	2.3
98.97552	0.7
107.04958	1.9
109.02863	0.4
110.18340	0.4
110.97569	0.5
111.00773	0.7
113.19884	0.3
119.04933	17.3
120.05307	0.5
121.02831	0.6
121.06541	0.4
121.55169	0.3
123.04426	5.3
125.02271	0.4
128.98616	0.5
131.08528	0.4
133.06470	0.3
137.02327	0.8
146.99734	0.6
147.04398	44.0
147.54732	0.3
148.04733	0.4
151.03867	0.7
153.01814	100.0
154.02159	1.2
161.01097	0.4
161.06004	0.4
163.03925	0.4
170.99641	0.5
171.02869	4.3
171.11620	0.4
173.01239	0.4
179.03371	0.8
188.00255	0.4
189.00807	0.6
189.05476	1.2
198.01700	0.5
217.05048	0.5
227.03377	0.5
228.04156	0.5
229.04962	0.6
231.06618	0.5
245.04411	0.4
255.06534	1.0
273.04114	4.9
273.07541	71.5
274.04675	1.9
274.07922	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	272.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.05516	0.5
56.96559	2.5
57.03426	0.5
68.05011	0.4
69.03423	1.1
70.06584	0.8
71.04998	0.3
71.50994	0.5
73.02921	0.9
80.05011	3.8
81.07043	0.8
83.06086	0.5
85.02901	1.8
95.04934	0.5
95.06087	0.6
96.04499	2.4
96.08126	2.2
97.02888	1.1
98.97576	1.7
99.09164	0.4
109.02856	0.4
110.06059	0.8
110.07147	3.3
116.98595	1.2
123.04441	0.4
124.03943	100.0
127.08675	1.3
134.99727	0.4
142.05042	0.6
143.00157	1.2
153.01781	0.5
153.30885	0.4
155.04718	0.6
156.07671	0.5
161.01183	1.8
170.99673	0.6
185.01297	0.4
189.00713	0.4
191.03848	0.5
197.09264	1.2
208.14351	0.4
219.01788	0.4
226.15363	0.5
227.06770	0.5
237.02786	0.4
249.02820	1.1
254.15009	0.8
255.32640	0.4
267.03922	1.2
272.07620	6.5
272.11243	3.8
272.15933	3.0
272.26205	0.4
285.04974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03941	1.1
55.05510	6.2
57.07083	3.2
57.19320	0.6
67.05496	9.9
69.07068	10.8
69.77954	2.7
71.08643	1.1
79.05492	6.1
81.07052	21.8
83.08630	3.5
86.06050	0.7
91.05467	6.4
93.07035	13.0
95.04976	0.8
95.08601	29.6
97.10164	1.9
105.07026	15.3
107.07887	1.4
107.08591	21.1
109.10152	18.3
111.11681	0.8
115.05416	0.8
117.07018	3.9
119.08575	26.2
121.10137	22.5
121.10786	0.5
121.11027	0.7
123.11685	9.1
129.06972	0.7
130.07727	0.8
131.08562	10.5
133.10118	17.2
135.11679	9.3
137.13216	2.5
143.08521	1.2
144.09329	1.3
145.10118	21.5
146.10942	0.7
147.11674	13.1
149.13242	8.3
157.10127	1.8
158.10866	0.7
159.11685	25.2
161.13248	13.8
163.14810	7.5
167.03412	1.9
171.11638	0.9
172.12500	0.9
173.13255	15.3
174.13971	1.2
175.14827	13.9
177.16377	7.4
185.13266	0.8
187.14809	15.3
188.15562	1.1
189.16360	7.9
190.17204	2.2
191.17984	0.7
199.14818	1.2
201.16379	20.7
203.17862	2.8
213.16428	1.5
215.17957	15.7
227.06873	0.6
228.18657	1.3
229.19502	9.7
243.21045	1.8
254.24782	2.0
271.06122	3.0
271.09647	2.4
271.24188	100.0
272.24707	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05507	4.8
57.03422	0.8
57.07070	2.7
60.28683	0.4
65.03946	0.5
67.05505	9.1
69.03419	0.4
69.07067	8.9
69.07432	0.9
71.08620	0.5
79.05494	4.7
79.30733	0.4
80.02750	0.4
81.07055	17.5
83.08611	3.4
89.26372	0.5
91.05474	5.5
92.18053	0.5
93.07047	12.0
93.07631	0.7
95.04936	1.3
95.08609	25.2
97.06486	0.5
97.10157	1.2
97.66755	0.4
98.21558	1.0
103.05461	0.7
105.03371	0.5
105.07031	11.5
107.08594	18.1
109.10159	16.0
111.11703	1.5
117.07017	2.4
119.08584	18.9
121.02837	2.3
121.10145	19.4
123.11702	9.3
128.06195	0.7
129.07010	0.7
130.07764	0.8
131.04872	0.7
131.08566	6.0
133.10123	12.8
135.11694	10.1
137.13251	2.7
143.08551	1.5
144.09311	1.4
145.06442	0.5
145.10117	11.7
147.11700	8.5
149.02304	1.1
149.09773	0.4
149.13263	8.9
151.11157	1.1
152.06212	0.5
153.06989	0.8
155.08620	0.5
157.10094	1.4
158.10910	1.2
159.10486	0.9
159.11703	12.0
160.05104	0.5
161.12006	0.8
161.13264	10.4
163.14830	6.2
165.06979	0.7
167.03387	4.4
171.11708	1.0
172.12511	0.9
173.05962	1.6
173.13269	9.0
175.03903	0.9
175.14833	12.1
177.16380	3.8
178.07791	0.7
179.08563	1.4
181.06508	1.2
182.07246	1.1
185.06032	0.6
185.13203	0.9
187.14816	11.4
189.16377	5.8
197.05986	1.5
197.09555	0.9
199.07552	1.3
199.14781	2.2
201.05528	0.7
201.09093	0.5
201.16386	12.3
203.17982	1.1
207.08142	0.8
210.06758	1.7
211.07503	1.3
213.16418	1.7
214.06068	0.5
214.17038	0.7
215.17958	10.9
225.05513	0.7
225.09106	3.5
226.09157	0.5
227.07031	5.6
227.17982	2.6
228.18666	2.2
229.04953	1.0
229.08607	1.6
229.19463	4.5
235.07628	0.8
238.06282	0.5
241.19438	0.6
242.20169	0.5
243.10136	1.5
243.21086	1.1
253.08566	4.5
254.09277	0.5
256.21964	0.7
271.06021	4.7
271.09650	7.1
271.24207	100.0
272.10196	0.8
272.24521	2.0
277.88480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05506	4.7
57.07049	2.0
67.05498	6.7
69.07069	8.8
70.05782	2.4
70.06203	1.3
74.64686	0.7
79.05490	4.0
81.07053	12.8
83.08612	3.1
91.05467	3.7
93.06484	1.2
93.07037	13.1
95.08603	22.2
96.92664	0.7
97.10159	2.1
105.07024	9.3
107.08590	16.9
109.10152	14.1
111.11691	1.2
117.07011	2.5
119.08576	17.4
121.10139	20.8
123.11698	7.0
125.97292	0.6
129.07008	0.7
131.08556	6.5
131.64958	0.6
133.10107	12.4
134.94630	0.6
135.11679	11.0
137.13214	2.0
143.08574	0.9
144.09286	1.3
145.10117	12.2
147.11681	8.8
149.13268	7.6
157.10103	2.0
159.10475	1.3
159.11696	14.8
161.13251	8.1
163.14827	5.2
167.03375	1.5
173.13280	8.1
175.14822	12.9
177.16330	4.8
185.13240	0.8
187.14790	12.5
189.16391	5.3
190.17351	0.9
199.14795	2.3
201.16371	11.7
203.17929	1.2
213.16307	2.0
215.17944	9.8
227.17963	2.6
228.18729	1.5
229.19452	4.6
241.19556	1.4
243.21021	1.1
271.05988	3.7
271.09409	1.2
271.24197	100.0
272.24533	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.43529	0.4
55.05510	4.2
57.07064	2.1
67.05501	7.0
69.07066	9.3
69.74562	3.1
72.33752	0.5
79.05495	4.7
81.07055	16.0
83.08616	2.5
91.05479	5.6
93.07039	12.5
95.08604	22.2
97.10151	2.1
97.50614	0.5
105.07019	9.7
107.08587	17.4
109.10154	14.7
111.11685	1.2
117.07010	1.9
119.08574	15.4
119.80615	0.5
121.02839	1.5
121.10136	18.6
123.11694	6.8
129.06949	0.6
130.07742	0.6
131.08565	5.3
133.10129	14.2
135.11690	11.1
137.13251	3.8
143.08568	0.6
144.09412	0.6
145.10107	11.2
147.11681	9.4
149.02345	0.8
149.13254	9.3
151.11206	0.8
153.06931	0.7
155.57848	0.5
157.10149	0.8
158.10872	1.0
159.11694	13.7
161.13252	8.9
163.14822	5.9
165.06989	0.8
167.03355	1.8
171.08023	0.6
172.12466	0.8
173.06062	1.0
173.13261	8.3
175.14827	13.8
177.16370	4.5
179.08536	0.8
181.06447	0.9
183.08011	0.7
185.13156	0.7
186.14011	0.7
187.14827	10.1
188.15526	0.6
189.05409	0.6
189.16374	5.3
197.05914	1.0
197.09653	0.5
199.07611	1.0
199.14848	1.8
201.05457	1.0
201.09149	0.6
201.16374	10.6
201.18257	0.5
202.17143	0.7
203.17999	0.9
210.06732	1.2
211.07497	0.7
213.05505	0.7
213.16405	1.4
215.17967	10.8
225.05420	1.0
225.09044	1.8
227.06935	3.3
227.17941	1.8
228.07542	0.6
228.18727	1.9
229.04875	0.6
229.08675	0.8
229.19472	3.9
235.07510	1.0
241.19623	0.9
242.20221	0.7
243.06520	0.6
243.10236	1.4
253.08534	2.0
253.19537	0.6
260.54282	0.6
266.12497	0.6
271.06430	2.5
271.09579	4.1
271.24191	100.0
272.24640	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	271.144
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05493	1.1
56.04974	0.7
59.29347	0.6
67.05501	3.6
68.99772	1.6
69.03433	0.8
69.07055	1.6
71.51215	0.9
79.05470	2.7
81.07041	5.5
82.69634	0.6
83.04978	1.0
84.40030	0.6
85.06506	0.6
91.05466	2.8
93.05744	0.9
93.07018	1.4
94.06548	1.3
95.08601	1.7
96.08115	1.9
103.05476	1.3
103.85616	0.6
105.07013	1.5
105.57029	0.6
106.06524	1.3
107.08573	1.5
108.08118	7.9
109.06518	0.8
109.10126	1.7
118.06524	1.1
119.04939	1.3
119.08556	1.8
120.08084	0.7
121.02866	1.9
121.10132	1.0
122.09664	1.0
123.11665	1.2
124.07536	0.8
129.06958	1.6
131.04906	1.0
131.08546	1.7
133.10104	2.8
134.05959	1.2
136.07578	0.7
141.06946	1.2
142.07758	1.4
144.08076	1.4
145.10043	1.3
146.09612	0.8
147.11668	1.3
148.07573	0.7
149.02225	0.8
150.09058	0.7
153.01825	2.3
153.06966	1.1
154.06494	1.4
155.08556	0.8
156.08075	0.6
156.09309	0.8
157.10118	2.3
158.06029	0.8
158.09581	1.0
159.09138	1.5
159.11652	1.5
160.05133	0.6
165.07011	0.7
166.07785	0.9
167.03389	9.8
168.08060	4.6
169.06491	1.0
169.08864	4.1
171.09134	0.9
172.07527	1.0
173.05954	2.4
173.13313	0.9
175.03873	0.9
175.14832	0.6
179.08553	1.1
181.06506	1.6
181.10104	1.3
182.09657	2.4
183.07994	1.0
183.10408	9.9
183.11827	1.4
185.10721	1.6
186.09151	0.8
186.11452	1.5
189.16342	0.7
196.07590	4.3
197.05931	1.3
197.08350	7.9
198.09209	1.6
198.12761	8.3
199.08711	6.0
199.12294	1.3
200.13055	1.4
201.05475	1.2
201.16418	0.7
203.07114	1.0
208.11205	0.7
210.06953	0.6
210.09106	2.0
210.11592	1.0
211.09904	10.9
212.09451	2.3
213.10223	11.5
214.10997	3.7
215.15466	3.6
215.17264	0.6
223.49498	0.7
225.05363	0.8
225.09120	1.8
225.13853	1.8
226.12274	26.0
227.07033	2.0
227.11763	23.6
228.04178	0.8
228.12556	24.3
229.04936	1.6
229.08589	1.0
239.11736	0.9
240.08911	1.3
241.09668	2.6
241.13344	1.4
242.10570	1.4
243.06480	0.8
243.14929	24.2
253.08545	3.6
253.13223	4.3
254.11713	1.7
255.11255	38.0
256.12042	45.3
257.12329	0.7
269.12772	1.3
271.05984	26.8
271.09543	6.2
271.14380	100.0
271.20590	2.6
271.23969	3.9
272.14563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.5
55.05499	1.0
56.92545	0.5
57.03444	3.7
57.07060	0.7
65.03931	2.5
67.05493	2.0
68.99784	11.6
69.03445	0.8
69.07055	1.1
70.97926	1.7
71.04976	0.7
71.08648	0.9
73.02911	31.6
75.04465	3.2
79.05492	1.4
81.03428	0.7
81.07055	2.0
81.14935	0.5
83.04987	0.8
85.02898	0.8
85.06519	0.6
91.03928	1.1
91.05473	3.2
93.03389	1.7
93.07061	1.3
95.04943	2.7
95.08587	2.0
97.02870	0.7
97.10098	0.6
103.05479	1.3
105.07018	1.1
107.04945	1.9
107.08633	0.6
108.02040	1.2
109.02874	1.5
109.06496	0.9
109.10175	0.9
110.03648	5.7
111.00792	1.0
111.04448	5.7
115.05448	1.1
117.07008	0.8
119.04958	2.7
119.08540	0.6
121.06495	1.1
121.10094	0.8
122.03648	1.0
123.04420	1.9
124.07652	0.5
125.05984	36.8
127.03943	1.0
128.06215	0.7
129.06992	2.2
131.04912	1.6
133.06432	0.7
133.10164	0.6
135.08047	1.1
137.02301	0.6
137.05965	2.2
141.05463	2.5
141.06931	2.9
147.04457	1.1
147.06512	3.9
147.07535	0.5
149.05974	3.0
151.03897	100.0
151.04984	6.5
151.07434	4.5
152.04282	0.7
153.01820	0.8
153.06963	1.1
155.04915	4.0
157.06505	2.4
159.04440	1.1
159.11707	0.6
161.05936	0.9
163.03896	1.0
163.07538	2.3
165.07056	1.5
165.99283	0.5
167.06987	0.7
168.05717	0.6
169.06458	3.5
173.05959	9.0
175.07529	1.0
177.05463	0.8
178.07753	0.7
179.07033	19.6
181.06448	1.6
181.08592	0.9
182.03854	0.6
183.04431	4.7
183.08093	1.7
185.05946	2.4
187.03784	2.6
187.07463	0.7
195.06491	0.6
197.06001	6.2
197.08084	17.5
201.05446	9.3
203.07048	4.9
207.08112	0.9
211.03827	1.0
211.07484	1.6
212.93637	0.6
213.05536	0.7
215.07034	2.2
223.09509	0.7
225.05420	4.3
225.07501	2.7
225.09447	3.3
229.04964	10.7
235.09615	0.6
239.07217	1.1
243.06429	4.8
253.05023	3.4
253.10652	2.9
271.06000	55.0
271.11832	18.5
272.06396	1.3
272.10413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	Amoenumin
Peak:m/z	Relative Intensity
53.03933	1.3
55.01880	5.1
62.01606	1.1
65.03933	2.1
67.05492	2.1
68.99787	13.4
69.78722	6.5
71.04972	1.2
79.05498	1.5
81.03436	1.3
81.07047	3.5
89.03876	1.7
89.56787	0.8
91.05474	17.6
93.07040	1.3
95.04956	6.0
97.06569	1.0
103.95940	1.1
105.06947	2.1
107.04929	4.8
109.02840	2.0
111.00787	1.6
115.05430	3.8
115.69917	0.9
117.03391	1.8
118.04147	2.9
119.04935	13.5
121.02769	1.1
121.06492	3.7
122.03562	1.1
123.04414	2.6
124.05202	1.6
125.09573	1.0
128.06224	2.8
129.06996	4.0
130.28506	1.0
133.06436	1.7
134.03612	2.8
135.04399	2.3
137.05983	7.1
139.05479	1.8
140.06198	1.2
141.06975	12.2
144.05711	1.3
145.06502	2.8
147.04362	2.0
147.08000	1.8
149.05975	3.8
150.06801	2.1
152.06219	8.2
153.01859	1.3
153.06982	38.6
154.07744	4.8
155.04915	4.7
155.06030	1.4
155.08559	20.9
157.06435	6.1
165.06999	92.1
166.07472	2.5
167.08455	1.5
168.05722	15.9
169.06473	11.8
170.07254	3.0
171.08044	2.1
173.05959	10.4
175.07480	1.6
179.04988	1.0
179.08463	2.1
180.05692	2.0
181.06474	26.6
182.07243	9.1
183.04408	4.2
183.08049	47.7
184.08551	1.5
185.05933	8.7
187.03828	2.1
191.51266	1.1
193.06343	13.8
193.07971	1.1
194.07237	1.6
195.08110	1.5
196.05208	12.3
197.05995	13.8
197.09708	1.2
198.06760	2.4
199.07500	3.7
200.08324	6.2
201.05414	8.1
203.07031	3.4
207.04454	4.9
209.05956	3.3
210.06749	6.2
211.07535	51.5
212.08307	6.4
213.05420	3.6
213.09001	2.5
215.06909	2.2
221.05984	15.7
225.05437	6.4
225.09018	4.2
226.14308	2.0
227.06999	2.0
228.07796	5.5
229.04967	12.3
239.07019	10.9
242.09398	4.0
243.06509	3.6
243.10068	5.1
247.97682	1.6
253.04990	4.0
253.08641	2.4
271.06015	46.0
271.09628	100.0
272.10114	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	271.0962
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03944	0.3
53.98005	0.1
55.01883	0.7
55.05502	0.2
57.10503	0.2
65.03914	0.3
67.01849	0.4
67.05489	0.2
68.99775	1.5
69.03417	0.4
70.67180	0.5
71.01338	0.2
71.04999	0.2
71.97993	0.2
79.05486	0.3
81.03414	0.5
81.07055	0.2
83.04967	0.2
91.05483	1.1
93.03378	0.3
95.04947	0.2
95.08568	0.3
97.02850	0.2
99.04433	0.5
103.05462	4.6
105.03392	0.2
105.07059	0.3
107.04914	0.2
109.06503	0.2
109.10117	0.2
111.04438	0.9
121.02848	0.5
124.01540	2.1
125.02326	0.2
127.03916	0.2
131.04921	7.5
133.10056	0.3
137.02325	0.6
137.05963	0.3
139.03876	0.4
141.06985	0.3
142.20543	0.2
147.04356	0.2
149.02318	0.8
152.01031	3.3
153.53113	0.2
158.15904	0.1
160.05251	0.2
165.06915	0.2
167.03389	100.0
168.03712	1.2
170.02121	2.6
173.05937	0.5
175.03908	1.2
178.01407	0.2
178.07813	0.2
179.08513	0.4
181.06415	0.3
197.05948	1.3
197.09633	0.2
201.05417	0.2
207.08087	0.3
210.06750	0.4
211.07678	0.3
213.05424	0.2
225.05510	0.4
225.09030	1.1
227.07014	0.4
229.08614	1.0
242.05794	0.2
243.10133	0.3
253.08557	1.9
271.09622	45.6
272.09970	1.1
280.43237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
50.01611	0.1
53.03929	0.3
55.01871	1.0
55.05504	0.2
65.03942	0.3
66.98777	0.1
67.05493	0.5
68.99405	0.1
68.99781	2.0
69.03419	0.4
69.07064	0.1
70.67097	0.3
71.01331	0.2
71.04971	0.3
79.05484	0.5
81.03411	0.6
81.07045	0.5
83.04964	0.3
91.05480	1.0
92.99744	0.1
93.03362	0.2
93.07046	0.4
95.04955	0.3
95.08601	0.4
97.02890	0.5
99.04459	0.4
103.05461	4.5
105.03412	0.1
105.07023	0.5
107.04909	0.3
107.08582	0.3
109.02856	0.2
109.10163	0.2
111.00739	0.1
111.04418	0.8
119.08580	0.2
121.02850	0.4
121.10159	0.2
124.01567	2.4
125.02330	0.3
127.03931	0.2
129.07011	0.2
131.04918	7.7
133.10098	0.1
135.11717	0.2
137.02333	0.6
137.05962	0.2
139.03862	0.5
141.06960	0.3
145.06465	0.2
147.04378	0.2
147.11716	0.2
149.02327	0.4
151.03865	0.1
152.01030	3.2
153.01810	0.2
153.06985	0.3
154.07771	0.2
155.08524	0.2
159.08060	0.1
160.05109	0.1
160.83899	0.1
161.05971	0.1
165.05515	0.2
165.06995	0.3
167.03389	100.0
168.03732	1.1
168.05052	0.1
168.05675	0.1
169.06467	0.4
170.02094	3.5
173.06042	0.7
175.03891	0.4
178.07814	0.3
179.08517	0.4
181.06432	0.3
182.07286	0.3
183.04388	0.1
183.08058	0.2
185.05893	0.2
187.03917	0.2
187.07591	0.1
197.05905	1.0
197.09683	0.7
200.04662	0.2
201.05426	0.3
201.09090	0.3
203.07007	0.1
207.08064	0.3
209.05629	0.1
210.06776	0.6
211.07549	0.2
213.05408	0.3
214.06181	0.3
215.06934	0.2
217.04944	0.2
225.05417	0.3
225.09065	1.8
227.06984	0.3
229.04968	0.3
229.08545	1.3
239.07327	0.1
243.10184	0.6
253.08611	2.0
271.06387	1.7
271.09622	40.6
272.09915	1.2
275.63242	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	271.0963
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03945	0.1
54.51311	0.1
54.83884	0.1
55.01868	0.8
59.61742	0.1
65.03935	0.3
67.01848	0.2
67.05505	0.1
68.99782	1.7
69.03424	0.4
69.37032	0.2
69.37357	0.9
71.01362	0.2
71.04986	0.2
79.01868	0.1
79.05474	0.3
81.03398	0.6
81.07056	0.1
83.04959	0.2
83.63407	0.1
86.42199	0.1
91.05470	1.0
93.03368	0.1
95.04930	0.1
96.02051	0.1
97.02894	0.5
98.21522	0.2
99.04450	0.5
103.05460	4.5
104.05794	0.1
105.03427	0.1
107.04937	0.3
109.02874	0.2
111.04439	0.8
121.02863	0.2
124.01560	2.6
125.02329	0.1
127.03924	0.3
131.04919	7.2
132.05251	0.2
137.02330	0.6
137.06003	0.1
139.03883	0.4
152.01035	3.7
167.03389	100.0
168.03705	1.3
169.06435	0.2
170.02094	3.3
227.07008	0.1
229.08582	1.0
253.08658	0.2
271.09625	24.3
272.09918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03942	0.7
53.82105	0.3
54.14973	0.3
55.89023	0.4
58.94227	0.4
67.01867	3.4
67.05489	0.5
68.99786	1.0
69.16945	4.1
77.81644	0.3
79.01855	0.5
79.05489	3.2
81.03422	0.4
81.07057	0.4
83.04958	0.6
91.05479	3.1
95.04973	0.5
95.08607	0.6
97.48129	0.3
99.04458	1.2
103.05460	29.4
104.05776	0.4
105.03386	1.1
105.06991	0.8
107.04958	2.1
107.08581	0.4
109.06493	0.8
111.04446	3.2
117.07036	0.4
117.29310	0.3
119.08566	0.4
120.78680	0.3
124.01546	0.7
131.04922	55.1
132.05267	0.6
135.08202	0.4
137.05988	1.9
139.03868	0.5
141.05508	0.4
152.01001	0.8
159.11765	0.6
165.05499	2.6
165.06844	0.6
167.03392	100.0
168.03719	1.5
170.02147	0.4
173.05971	4.4
182.07248	0.3
185.04430	1.9
193.04961	1.5
197.05850	0.4
197.09744	0.4
201.83495	0.3
228.06923	0.4
229.08569	0.9
253.08607	0.6
271.06259	3.0
271.09628	94.4
271.24176	0.8
272.09924	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	271.0963
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03949	0.3
54.20192	0.1
55.01860	0.5
55.05510	0.2
65.03951	0.2
67.01856	0.4
67.05501	0.7
68.99782	2.3
69.03419	0.3
69.07041	0.2
69.55195	0.1
69.69351	0.8
69.84167	0.1
71.04974	0.2
79.05488	0.6
81.03408	0.7
81.07044	0.6
83.04965	0.4
91.05463	1.5
93.03373	0.2
93.07035	0.2
95.04958	0.4
95.08603	0.4
96.02113	0.1
97.02892	0.7
98.20847	0.2
99.04475	0.5
103.05461	4.9
103.06150	0.3
105.07012	0.4
107.08587	0.3
108.02116	0.2
108.08110	0.4
109.10154	0.5
111.04427	1.0
119.04926	0.2
119.08550	0.3
121.02778	0.3
121.10159	0.2
124.01568	3.2
125.02329	0.2
127.03899	0.4
128.06259	0.2
131.04922	6.9
131.08524	0.2
133.10143	0.4
134.06046	0.2
137.02313	0.7
137.05989	0.2
138.63986	0.1
139.03905	0.6
141.06982	0.2
145.10085	0.2
149.02310	0.2
152.01030	2.8
153.01804	0.3
153.06993	0.2
155.08522	0.3
157.10095	0.3
165.05389	0.2
165.06885	0.2
167.03391	100.0
168.03693	1.2
168.08087	0.2
169.06462	0.3
170.02083	4.4
171.07961	0.2
173.05980	0.4
175.03941	0.3
175.14764	0.2
181.06361	0.2
182.09644	0.1
183.10371	0.3
196.07591	0.2
197.06033	0.4
197.08331	0.4
198.12729	0.3
201.05450	0.2
201.16371	0.2
208.11171	0.2
210.06761	0.2
211.07939	0.2
211.09888	0.9
213.10213	0.6
225.05486	0.3
225.09053	0.4
226.12273	1.6
227.07039	0.6
227.11694	0.7
228.07658	0.2
228.12573	1.0
229.05023	0.2
229.08580	1.4
243.06602	0.2
243.10057	0.2
243.14923	1.0
253.08678	0.8
253.13350	0.2
255.11261	0.6
256.11990	0.5
271.06076	3.8
271.09625	23.6
271.14053	3.3
271.24045	0.6
272.06662	0.1
272.10010	0.5
294.72021	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	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03933	0.1
54.67913	0.2
55.05513	0.3
57.03436	0.2
57.07082	0.3
65.03934	0.3
67.01869	1.8
67.05481	0.5
68.99792	1.1
69.03439	0.2
69.07055	0.5
69.46598	1.2
79.05483	0.4
80.81925	0.2
81.03397	0.2
81.07053	0.9
83.04971	0.2
91.05479	2.7
93.07040	0.6
95.04967	0.4
95.08596	0.8
98.21511	0.2
103.05470	0.1
105.07019	0.7
107.04952	0.2
107.08585	0.6
107.35224	0.2
109.02892	0.2
109.06533	0.2
109.10167	0.8
110.66828	0.2
111.00795	0.3
111.04439	0.2
115.05424	0.2
117.07024	0.2
119.04933	4.8
119.08565	0.6
121.02853	1.6
121.10123	0.4
123.11680	0.2
129.01819	0.5
129.06978	0.3
131.04941	0.4
131.08566	0.4
133.06482	0.1
133.10121	0.6
135.11678	0.2
137.06105	0.2
141.06960	0.5
145.02818	1.1
145.06506	0.3
145.10115	0.7
147.11682	0.3
149.02359	0.7
153.01826	9.8
153.07007	0.5
154.07782	0.3
155.04927	0.3
155.08525	0.5
155.28604	0.2
157.06532	0.3
157.10126	0.4
159.04404	0.2
159.08025	1.0
159.11665	1.0
161.13240	0.4
163.03879	1.0
163.14864	0.2
165.06976	0.5
167.03444	0.4
167.08559	0.2
168.05710	0.3
169.06503	0.5
169.10104	0.2
171.02899	1.2
171.08066	0.2
173.05940	0.8
173.13295	0.5
175.03883	1.2
175.14815	0.3
179.01537	0.2
179.08554	0.4
181.06490	0.5
182.07292	0.5
183.04355	0.2
183.08005	0.3
183.10428	0.2
185.05951	0.3
187.03929	0.4
187.14729	0.2
197.05998	1.4
197.09607	0.4
199.07564	0.7
201.05455	0.5
201.09045	0.2
201.16318	0.4
203.07083	0.4
207.08046	0.2
210.06749	0.6
211.04024	0.1
211.07512	0.5
213.05411	0.2
215.07158	0.2
215.10553	0.2
215.17947	0.2
225.05473	1.0
225.09065	1.2
226.12202	0.2
227.07039	0.7
228.07726	0.3
229.04991	1.2
229.08560	0.3
239.06871	0.2
242.05862	0.2
242.08968	0.3
243.06445	0.8
243.10269	0.4
243.15002	0.3
253.04938	0.5
253.08568	1.7
253.15900	0.3
270.04892	0.5
271.06000	100.0
271.24112	1.3
272.06317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01870	2.1
55.05516	3.0
57.03426	3.4
65.03898	1.6
67.05508	9.9
68.49869	1.3
69.03424	3.3
69.07071	5.0
71.04988	3.4
71.08615	1.7
71.51445	1.8
79.05476	12.7
81.03405	2.2
81.07058	15.5
83.04968	3.5
83.08627	1.7
85.06541	6.3
91.05472	14.7
92.06242	1.7
93.07026	5.0
95.04968	6.5
95.08608	6.6
97.06513	5.0
97.10170	1.6
99.04416	3.1
100.84524	1.5
101.06025	2.2
103.05455	7.7
105.07028	18.6
107.04221	3.9
107.04949	66.2
107.08591	5.6
109.02905	2.1
109.06511	6.9
109.10187	2.2
110.06031	4.5
111.08090	3.1
112.11275	3.0
112.81367	1.6
114.50668	1.5
115.05447	5.2
117.07037	3.4
119.04959	6.0
119.08614	5.4
120.05733	6.5
121.02847	2.9
121.06516	4.1
121.10130	6.1
123.08091	3.2
123.11758	1.7
124.03930	4.3
125.04254	3.6
125.09586	2.7
127.07563	3.7
131.04912	2.8
131.08597	4.4
133.06502	5.3
133.10118	3.1
135.08046	17.9
135.11664	3.0
137.05986	9.7
137.09604	2.5
142.97934	1.5
145.10115	3.8
147.04440	9.9
147.11714	2.6
149.05952	2.9
149.09697	2.3
149.13297	1.9
151.07487	3.2
154.06245	4.1
155.08492	1.8
155.10712	1.7
159.11580	2.1
161.05972	1.6
162.06642	1.5
163.07532	39.5
163.11206	1.7
165.05472	10.6
165.06726	2.1
165.09163	2.1
167.07056	19.2
173.13281	1.5
177.05524	2.2
178.12271	2.2
179.07086	1.9
179.10619	2.1
180.07808	92.1
181.06622	1.7
185.13254	1.6
192.07805	3.2
193.08640	6.4
194.09378	2.8
195.10168	100.0
205.12270	2.5
223.07697	2.3
233.11594	3.1
241.08545	2.1
251.16534	3.5
269.04538	3.6
269.08395	6.6
269.17499	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	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	4.6
55.01857	5.4
55.05513	20.5
57.03436	33.0
57.07067	5.4
65.03934	2.1
67.05500	72.1
69.03424	9.3
69.07066	29.1
71.05003	8.6
71.08648	2.8
71.18098	3.4
71.18492	3.4
74.77303	1.7
79.05489	40.4
81.03425	3.2
81.07053	100.0
83.04973	12.0
83.08615	20.1
85.02890	2.1
85.06537	8.7
91.05477	34.7
93.07035	60.1
95.04981	8.3
95.08598	32.0
97.06519	13.5
97.10175	3.2
97.60191	1.6
99.04437	4.0
99.08068	2.3
103.05472	2.0
105.03330	2.1
105.07021	16.8
107.04959	2.6
107.08585	41.1
109.06532	5.6
109.10162	10.1
111.08064	9.1
111.50781	1.8
113.09625	2.0
117.07040	8.9
119.08569	6.5
121.02837	4.0
121.06506	2.9
121.10137	23.4
123.11683	13.5
127.03869	8.4
127.07554	2.0
128.06171	2.4
128.41745	1.9
129.05492	6.3
131.08574	14.2
131.70683	1.8
133.10117	16.8
135.08043	2.9
135.11684	12.7
139.11192	3.0
143.08562	3.5
145.10112	7.3
147.11664	6.2
149.13248	47.7
149.14400	2.8
157.06561	2.0
157.10104	4.3
159.11670	20.2
161.13210	4.2
167.07162	2.0
167.08549	3.7
169.10179	2.5
171.11751	2.2
173.13219	3.3
177.12741	12.5
181.06474	2.5
181.10158	2.2
185.13211	2.5
190.97765	2.0
191.10707	1.9
191.14302	2.3
195.08015	2.5
195.11911	1.9
195.13759	8.9
199.14755	3.4
200.41382	1.8
205.12126	1.9
209.15361	2.3
212.10703	2.4
213.09154	2.9
213.16452	2.5
224.10664	2.3
225.05383	2.6
226.06238	4.8
227.06915	2.8
233.15424	3.2
240.07896	1.8
241.04816	2.8
241.08588	8.7
251.07018	3.4
251.11794	2.5
251.16368	6.1
251.20183	2.5
252.10178	4.2
253.04901	5.2
254.05739	3.2
269.05106	3.1
269.08072	27.2
269.11218	2.7
269.12589	2.7
269.14923	3.0
269.17419	34.6
269.22607	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	269.1283
Annotation	paspalate
Peak:m/z	Relative Intensity
67.05401	1.7
67.05733	0.8
69.06978	1.1
69.19314	4.3
69.19739	1.6
70.06495	0.9
71.04933	0.9
71.05284	0.5
79.05374	2.0
79.05798	0.5
81.06948	4.1
85.06447	1.2
91.05399	1.1
93.06931	1.8
95.04855	1.2
95.08492	2.3
97.06450	1.0
105.06959	1.0
107.08485	1.8
109.06392	1.5
109.10062	1.1
117.78426	0.6
119.08483	0.9
121.02789	0.6
121.06393	0.7
121.10123	4.1
123.08038	0.8
123.11583	1.1
125.05909	0.7
128.06139	1.2
129.06973	2.9
133.10043	0.9
137.05858	0.7
139.11084	1.0
141.06891	0.7
143.08430	0.8
145.09987	1.0
149.09502	0.7
157.10001	0.7
159.11584	0.5
163.11086	0.7
165.06996	0.7
167.07198	5.9
167.08533	1.8
168.08034	2.7
169.08786	1.4
169.10083	0.7
176.87288	0.5
178.07713	1.0
179.08470	1.8
180.07980	1.2
181.08835	2.8
181.10104	0.5
182.05963	1.4
183.06764	4.2
184.07443	1.3
184.11194	3.1
195.06734	6.0
195.08199	0.6
196.07530	2.7
196.11217	4.8
197.08212	2.2
208.07394	1.1
209.08311	7.4
212.10695	28.1
213.07750	1.0
222.07840	1.4
223.09914	0.8
223.12195	0.8
224.10696	68.7
225.10966	1.4
233.11015	0.6
236.09441	1.7
240.07933	0.9
240.10179	10.7
241.08510	1.1
241.13214	0.9
250.10988	0.7
251.11786	39.3
252.10187	100.0
253.10542	2.0
269.04620	0.8
269.08087	2.4
269.12860	31.6
269.22540	1.1
270.13077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05488	2.0
57.03432	2.3
57.07065	1.1
65.03929	1.7
65.96512	0.5
67.05499	6.3
68.99788	0.7
69.07072	2.7
69.80447	2.5
71.04988	0.7
79.05495	4.8
81.03401	0.7
81.06599	0.7
81.07050	8.6
83.04972	0.8
83.08604	1.5
85.06517	0.6
91.05473	46.4
93.07037	5.5
95.04960	1.3
95.08592	2.5
97.06522	1.0
97.10157	0.5
98.19122	0.5
98.21427	0.6
99.04453	0.8
103.05464	1.4
105.07024	16.1
107.08576	3.0
109.06503	3.1
109.10119	1.2
115.05445	43.5
116.06300	0.7
117.07009	11.0
119.08559	1.7
121.02812	0.9
121.06506	0.5
121.10116	3.5
123.11687	0.6
125.02353	1.6
125.05962	2.0
128.06227	1.3
129.06982	4.5
131.04895	0.5
131.08560	1.5
133.10104	1.9
135.11639	1.2
137.05951	3.0
141.05373	0.7
141.06973	1.1
143.08510	1.4
145.10110	0.9
147.04451	0.5
147.11668	0.5
149.02350	0.6
149.09601	1.6
149.13235	3.0
151.11183	0.4
152.06165	0.7
153.05473	12.0
153.06920	1.5
154.06165	0.5
155.07057	1.3
155.08546	0.5
157.10158	1.1
159.11665	2.6
161.13185	0.7
165.06944	3.0
166.07777	3.9
167.07057	11.2
167.08507	1.6
169.06473	0.7
171.08124	0.5
171.11661	1.5
173.13214	1.2
176.04678	1.6
176.06187	1.0
177.05409	1.9
177.06979	2.3
177.12712	1.0
178.06232	2.5
178.07753	5.6
179.08568	2.4
181.06422	0.7
181.10054	1.0
183.08124	0.5
185.13243	1.1
191.07007	6.3
191.08521	1.0
194.07253	7.7
195.08002	4.2
195.13803	1.0
197.05994	0.5
197.09593	0.5
199.07504	0.8
199.14783	1.4
205.06506	2.6
206.07089	0.5
207.08034	1.8
208.08736	1.0
209.05971	0.5
209.09598	9.2
209.11574	0.6
210.10330	2.5
211.07550	1.3
213.16386	1.2
222.06647	1.0
223.07408	2.2
226.06328	0.5
226.09834	1.7
227.07065	0.9
236.08224	0.8
237.09097	13.9
238.09856	2.3
239.07033	2.5
241.08546	1.3
241.12167	4.4
250.30890	0.5
251.07085	1.0
253.08615	3.7
254.09346	4.9
269.11697	100.0
269.17429	3.1
269.22491	6.1
270.12091	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	269.117
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03923	0.6
55.05488	2.0
57.03432	2.3
57.07065	1.1
65.03929	1.7
65.96512	0.5
67.05499	6.3
68.99788	0.7
69.07072	2.7
69.80447	2.5
71.04988	0.7
79.05495	4.8
81.03401	0.7
81.06599	0.7
81.07050	8.6
83.04972	0.8
83.08604	1.5
85.06517	0.6
91.05473	46.4
93.07037	5.5
95.04960	1.3
95.08592	2.5
97.06522	1.0
97.10157	0.5
98.19122	0.5
98.21427	0.6
99.04453	0.8
103.05464	1.4
105.07024	16.1
107.08576	3.0
109.06503	3.1
109.10119	1.2
115.05445	43.5
116.06300	0.7
117.07009	11.0
119.08559	1.7
121.02812	0.9
121.06506	0.5
121.10116	3.5
123.11687	0.6
125.02353	1.6
125.05962	2.0
128.06227	1.3
129.06982	4.5
131.04895	0.5
131.08560	1.5
133.10104	1.9
135.11639	1.2
137.05951	3.0
141.05373	0.7
141.06973	1.1
143.08510	1.4
145.10110	0.9
147.04451	0.5
147.11668	0.5
149.02350	0.6
149.09601	1.6
149.13235	3.0
151.11183	0.4
152.06165	0.7
153.05473	12.0
153.06920	1.5
154.06165	0.5
155.07057	1.3
155.08546	0.5
157.10158	1.1
159.11665	2.6
161.13185	0.7
165.06944	3.0
166.07777	3.9
167.07057	11.2
167.08507	1.6
169.06473	0.7
171.08124	0.5
171.11661	1.5
173.13214	1.2
176.04678	1.6
176.06187	1.0
177.05409	1.9
177.06979	2.3
177.12712	1.0
178.06232	2.5
178.07753	5.6
179.08568	2.4
181.06422	0.7
181.10054	1.0
183.08124	0.5
185.13243	1.1
191.07007	6.3
191.08521	1.0
194.07253	7.7
195.08002	4.2
195.13803	1.0
197.05994	0.5
197.09593	0.5
199.07504	0.8
199.14783	1.4
205.06506	2.6
206.07089	0.5
207.08034	1.8
208.08736	1.0
209.05971	0.5
209.09598	9.2
209.11574	0.6
210.10330	2.5
211.07550	1.3
213.16386	1.2
222.06647	1.0
223.07408	2.2
226.06328	0.5
226.09834	1.7
227.07065	0.9
236.08224	0.8
237.09097	13.9
238.09856	2.3
239.07033	2.5
241.08546	1.3
241.12167	4.4
250.30890	0.5
251.07085	1.0
253.08615	3.7
254.09346	4.9
269.11697	100.0
269.17429	3.1
269.22491	6.1
270.12091	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	269.0806
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
55.05484	0.9
67.05477	1.1
69.07043	1.0
69.21708	2.7
69.22115	0.4
75.68317	0.3
78.72678	0.3
79.05464	1.0
81.03446	0.4
81.07040	1.9
82.58822	0.3
83.04958	0.6
83.08566	0.4
85.06528	0.5
88.57783	0.3
91.05465	1.4
93.07012	1.3
95.04967	0.4
95.08625	1.4
97.06483	0.5
105.03362	0.7
105.07035	1.5
107.08553	0.9
109.06457	0.4
109.10119	0.7
110.77889	0.3
115.05410	0.9
115.36328	0.3
117.06970	0.4
119.08552	1.0
121.02817	0.5
121.10124	0.8
124.01561	1.6
129.07007	0.4
131.08527	0.8
133.10121	0.7
137.09550	0.4
141.06921	0.3
143.08478	0.3
145.10114	0.9
147.11659	0.4
149.13300	0.4
151.11139	0.3
152.01053	1.8
152.06198	0.3
153.05446	0.8
157.10098	0.7
159.11684	0.6
167.03387	0.6
170.02135	1.7
171.11673	0.9
173.13225	1.0
177.06998	0.4
185.09631	0.3
185.13255	0.5
194.07150	0.4
195.07994	0.6
197.05978	0.9
198.06616	0.3
199.14836	0.6
209.09764	0.3
211.14879	0.5
213.09081	0.3
213.16444	0.6
223.07582	1.0
225.05617	0.4
226.06233	16.1
227.06979	0.6
233.15329	0.4
240.07933	0.6
240.10263	0.4
241.08615	1.1
241.72725	0.3
251.07051	0.7
252.10373	0.3
253.04935	6.9
254.05725	53.6
255.06068	1.0
269.08066	100.0
269.22638	1.9
270.08542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone
Peak:m/z	Relative Intensity
51.30089	0.2
54.66003	0.2
55.05505	0.8
57.03433	0.2
67.05510	1.5
69.03428	0.4
69.07061	0.9
71.40536	0.3
74.01966	0.2
79.05481	1.7
81.07055	2.3
83.08604	0.6
85.06544	0.5
91.05482	1.3
93.07040	1.7
95.04966	0.6
95.08608	1.4
102.04744	0.3
105.07039	0.6
107.08575	0.9
109.06502	0.3
109.10201	0.5
111.08035	0.3
112.93301	0.3
115.05481	0.3
117.07018	0.8
119.08575	1.1
121.02872	0.4
121.10149	0.7
123.11724	0.5
124.01563	2.9
125.05952	0.3
131.08546	0.7
133.10132	0.6
135.11685	0.3
143.08586	0.5
145.10101	0.5
147.04489	0.3
147.11650	0.3
149.13295	0.5
151.11072	0.3
152.01028	4.5
152.06169	0.4
153.09024	0.3
155.04671	0.2
156.09380	0.4
157.06551	0.3
157.10121	0.7
159.11653	0.8
161.13301	0.3
165.07051	0.5
167.08591	0.6
169.06380	0.3
170.02087	4.8
171.11664	0.5
173.13268	0.6
175.03821	0.4
181.06537	0.3
185.13283	0.5
185.99078	0.3
189.05533	0.4
195.08081	0.8
197.05963	0.4
198.06705	0.3
199.14847	0.9
205.06448	0.4
213.09142	0.3
213.16313	0.9
223.07541	0.7
223.11197	0.3
225.05444	0.5
226.06206	1.6
227.06964	0.4
227.17865	0.6
233.15276	0.4
240.07831	0.3
241.08577	1.2
251.06982	0.9
253.04948	38.2
254.05722	32.6
255.05876	0.4
269.08069	100.0
269.19089	0.9
269.22626	3.0
270.08411	1.4
285.75403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Isopratol
Peak:m/z	Relative Intensity
53.03929	2.0
55.01854	3.8
55.05513	2.2
57.03420	5.4
65.03944	7.6
67.05498	9.8
69.03411	2.2
69.07043	4.6
79.05489	12.6
81.03401	5.8
81.07048	12.5
82.04189	1.9
83.04967	2.7
83.08630	1.9
85.06522	2.0
89.03950	1.2
91.05457	6.5
93.03389	2.9
93.07038	10.2
95.04950	4.1
95.08591	3.9
97.06552	1.1
103.05428	3.1
104.16875	1.1
105.03384	1.9
105.06989	2.5
106.69309	1.0
107.04947	4.6
107.08584	4.4
109.02889	3.1
111.08031	1.1
115.05424	1.4
117.07001	1.4
119.04929	2.4
121.02861	100.0
121.06481	5.2
121.10111	1.9
127.91008	1.2
128.06200	3.3
129.06993	3.5
131.04941	6.7
131.08554	1.4
135.11682	1.8
141.07016	3.8
142.07736	2.9
143.08549	3.9
145.02782	1.3
147.04404	7.1
149.02335	34.6
149.13225	5.2
152.06203	25.9
153.06970	8.9
155.08499	1.4
157.06448	4.3
157.10172	1.8
159.04411	13.6
159.11650	2.4
163.03864	4.7
165.07008	16.0
166.07805	8.5
167.08566	26.3
169.06470	7.1
170.07275	3.4
171.04413	1.5
171.08051	9.2
173.05933	1.2
175.03911	16.0
176.06192	7.4
177.07014	14.4
178.07802	10.0
179.08549	6.3
180.05730	3.6
181.06465	27.3
182.07256	5.4
183.08005	1.8
184.05191	2.2
185.05928	1.4
185.09587	8.7
187.03918	5.3
194.07233	4.5
195.08038	63.5
195.13763	2.2
196.08754	1.3
197.05974	13.1
197.09776	1.6
198.06746	12.6
199.07521	55.7
205.06450	10.4
207.08022	2.2
208.05098	2.5
209.05960	12.3
211.07452	1.8
212.08319	1.8
213.05592	7.5
213.09088	17.0
221.05946	1.5
222.06717	2.6
223.07527	71.6
224.08133	4.9
225.05441	13.0
226.04144	1.7
226.06233	21.6
227.07013	52.9
229.22963	1.9
233.05952	6.1
236.04654	3.4
237.05429	1.8
239.06860	3.0
240.07788	19.0
241.04834	2.3
241.08569	79.4
251.07025	83.2
252.07582	2.2
254.05833	2.2
269.08060	76.6
269.17551	5.2
270.08606	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	269.0808
Annotation	Isopratol
Peak:m/z	Relative Intensity
50.91731	1.2
52.76924	0.9
54.51487	1.4
55.01850	4.2
55.05504	2.1
55.65238	1.1
57.03433	2.8
61.44857	1.0
65.03938	6.0
67.05496	6.0
69.03411	1.5
69.07040	1.6
69.76985	2.6
69.77401	3.8
70.22597	1.2
79.05493	11.2
81.03432	6.6
81.07070	6.7
82.04205	1.3
83.04971	2.4
83.08598	1.2
83.60586	1.1
91.05479	4.8
93.03397	2.5
93.07066	5.6
95.04961	4.8
95.08601	1.4
97.06551	1.2
98.20861	2.1
103.05466	3.7
105.03385	2.7
105.07056	2.0
107.04935	5.6
107.08557	1.7
109.02832	2.4
111.04418	3.4
115.05449	2.2
117.07018	2.0
117.67329	1.1
119.04926	2.5
121.02867	100.0
121.06480	4.3
128.06194	3.8
129.07002	2.3
131.04919	8.8
141.06995	4.4
142.07726	1.4
143.08562	2.2
144.05663	2.1
145.06499	2.0
145.99117	1.2
147.04419	8.5
149.02336	35.9
149.13254	2.3
152.06216	26.8
153.06952	8.2
157.06471	5.7
157.10056	1.8
159.04416	15.1
160.00095	1.1
163.03937	2.6
165.06992	17.2
166.07793	6.4
167.08568	30.2
168.05693	2.9
169.06480	7.8
170.07201	3.4
171.04439	1.9
171.08031	10.2
175.03925	19.9
176.04845	1.4
176.06195	7.2
177.06996	15.0
178.07777	11.7
179.08551	6.3
180.05653	3.9
181.06479	24.8
182.07202	3.1
183.07993	2.1
184.05225	3.2
185.05905	1.7
185.09615	10.1
187.03947	7.4
194.07263	6.0
195.08052	71.4
196.08556	1.6
197.05968	15.3
197.09518	2.2
198.06783	10.3
199.07539	60.0
200.04712	2.7
205.06427	9.9
206.07146	1.5
207.08144	1.7
208.05173	1.9
209.05981	11.9
211.07600	1.6
213.05603	5.6
213.09090	15.7
222.06805	2.5
223.07539	73.3
224.08275	6.1
225.05446	17.7
225.09001	2.4
226.06239	25.3
227.07033	51.5
233.05975	6.9
234.06714	2.8
236.04750	3.1
239.07094	3.3
240.07805	20.1
241.08589	83.3
251.07036	93.9
252.07466	2.3
254.05602	2.9
269.08078	92.7
269.17285	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	269.0807
Annotation	Isopratol
Peak:m/z	Relative Intensity
53.03933	2.0
55.01859	5.3
55.05497	3.1
57.03420	5.9
60.53176	1.1
65.03926	8.3
67.05497	11.7
69.07042	4.1
69.56850	9.8
73.07689	1.4
79.05490	15.1
81.03412	6.6
81.07057	13.4
82.59801	1.2
83.04964	2.1
83.08596	2.1
88.25851	1.3
91.05465	5.6
93.03362	2.3
93.07033	11.6
95.04955	4.6
95.08599	4.4
97.06492	2.7
103.05466	3.8
105.03368	2.2
106.03038	1.2
107.04941	4.2
107.08573	4.8
109.02834	2.0
111.04440	1.8
111.92789	1.2
117.06996	1.6
119.04953	3.2
121.02861	100.0
121.06522	3.1
121.10160	3.1
128.06242	4.1
129.06996	4.2
129.89169	1.4
131.04945	8.8
131.08568	3.1
133.10088	2.5
135.11641	1.9
141.06993	3.8
141.76416	1.9
142.07811	2.0
143.08507	2.6
146.18381	1.3
147.04372	7.1
149.02333	32.4
149.13261	7.4
152.06194	24.1
153.04828	1.3
153.06989	8.9
154.07750	1.6
155.06125	1.7
155.08606	1.6
156.05754	1.6
157.06474	5.5
159.04411	14.6
159.11560	3.1
163.03888	3.0
165.07001	13.6
166.07761	6.2
167.08557	28.0
168.05751	1.7
169.06522	5.7
170.07242	3.9
171.08017	8.8
173.05997	1.8
175.03909	18.1
176.04823	1.5
176.06229	6.0
177.07001	13.6
177.12834	1.4
178.07761	11.8
179.08560	5.8
180.05737	3.6
181.06458	26.4
181.07942	1.8
182.07217	3.9
183.08063	3.1
184.05194	2.5
185.05945	3.1
185.09575	9.6
187.03918	7.4
194.07214	6.7
195.08038	63.8
196.08557	1.7
197.05963	12.0
197.09660	1.7
198.06754	11.6
199.03831	1.6
199.07530	52.7
200.04736	2.0
205.06403	10.4
207.08124	2.1
208.05182	4.7
209.05928	14.4
210.06647	2.5
211.07442	2.4
212.08308	2.0
213.05588	6.6
213.09079	16.0
216.22189	1.4
220.02533	1.4
223.07516	68.5
224.08305	2.1
225.05437	15.2
225.08890	1.8
226.06262	16.0
227.07018	47.8
233.05952	6.8
236.04550	2.2
238.01477	1.7
239.06947	2.9
240.07819	20.9
241.08569	75.5
251.07030	92.3
252.07330	3.2
254.05727	1.6
269.08066	75.5
269.17322	7.9
270.08826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Isodalbergin
Peak:m/z	Relative Intensity
53.03937	1.5
55.01854	3.1
55.05515	5.5
57.03434	8.0
57.07066	1.9
65.03939	5.3
67.05501	18.6
69.03419	1.4
69.07071	12.1
71.04982	1.2
71.51289	1.4
79.05492	14.7
81.03400	3.6
81.06593	1.9
81.07050	24.6
83.04980	2.5
83.08591	4.7
85.06545	1.6
87.24660	0.9
91.05480	49.3
93.03368	1.3
93.06490	1.3
93.07042	18.1
95.04970	4.2
95.08593	8.7
97.06515	4.7
97.10184	1.1
103.05440	4.7
105.03390	1.7
105.07029	18.5
107.04936	3.1
107.08586	9.7
109.06496	2.6
109.10132	3.5
111.04430	2.3
111.08083	2.3
115.05450	38.6
116.06176	1.7
117.07023	11.0
119.04927	1.3
119.08555	4.3
121.02866	53.3
121.06428	2.5
121.10125	7.3
123.11680	1.2
125.02331	2.4
125.05976	3.0
128.06203	3.0
129.06998	6.5
131.04910	2.8
131.08540	3.6
133.10109	10.4
135.08034	1.8
135.11691	3.2
137.05933	2.8
139.11176	0.9
141.06969	3.2
142.07767	2.1
143.08543	4.2
145.10081	5.2
147.04376	3.2
147.11642	4.0
149.02336	15.7
149.13235	11.4
152.06198	11.6
153.05452	10.1
153.06958	6.0
155.07123	1.6
155.08405	1.8
156.09212	1.1
157.06470	4.1
157.10101	2.9
159.04419	7.4
159.11694	9.3
161.13264	1.4
163.03970	2.2
165.06998	10.0
166.07722	5.9
167.07021	10.3
167.08556	13.2
169.06473	4.4
169.10088	1.5
170.07245	2.3
171.08028	4.0
171.11655	8.0
173.13255	4.3
175.03931	8.0
176.06209	3.6
177.06953	9.3
177.12715	1.7
178.06274	1.7
178.07751	9.2
179.08534	7.1
180.05704	1.4
181.06467	17.2
182.07301	1.3
183.11649	1.4
185.09576	4.8
185.13199	3.7
187.03864	2.8
190.71875	0.9
191.07027	6.3
193.06529	1.4
194.05670	1.4
194.07262	10.2
195.08041	38.3
195.13750	3.4
197.06035	7.3
197.09567	1.6
198.06787	5.9
199.07539	36.2
199.09389	1.9
199.14748	2.7
205.06491	8.2
207.08139	2.3
208.05188	1.4
208.08772	1.4
209.06032	5.9
209.09622	7.0
210.06744	1.9
210.10365	2.4
211.07544	2.5
213.05429	3.2
213.08992	6.8
213.16347	1.9
222.06712	2.2
223.07529	35.9
224.08112	2.0
225.05467	8.1
225.09062	1.8
226.06230	12.2
226.09857	2.0
227.07021	26.4
233.05876	3.0
234.06685	1.1
236.04585	1.6
237.09102	14.3
238.09743	1.5
239.06989	3.3
240.07799	8.5
241.04939	1.9
241.08598	40.4
241.12201	4.1
251.07030	46.6
252.07397	1.6
253.08617	2.7
254.06447	1.0
254.09363	4.4
260.21622	1.0
269.08093	42.7
269.11682	100.0
269.17371	9.0
269.22595	37.1
270.12375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0805
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
55.05499	0.2
57.03421	0.6
57.07055	0.3
60.20566	0.2
66.04933	0.2
67.01858	0.3
67.05499	1.3
69.07063	0.5
69.41605	1.7
70.15092	0.2
79.05464	0.6
81.03397	0.5
81.07059	1.3
91.05457	0.4
93.07021	0.9
94.28447	0.2
95.08604	0.4
103.05443	0.9
105.03346	0.4
107.08569	0.5
115.05517	0.2
117.06976	0.3
124.01524	0.9
129.03352	1.0
149.13239	0.4
152.06178	0.3
153.06898	0.2
159.11674	0.3
167.03377	3.4
170.07201	0.3
171.04388	0.5
171.08000	0.2
180.05687	0.3
181.06470	0.4
185.04404	0.2
195.07906	0.2
197.05923	0.9
198.06677	0.3
209.05936	0.8
215.92369	0.2
225.05565	0.3
226.06223	23.7
227.06557	0.4
240.04007	0.2
254.05714	7.2
254.08401	0.4
269.08060	100.0
270.08463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Isodalbergin
Peak:m/z	Relative Intensity
51.32224	1.1
53.03931	1.7
55.01866	2.3
55.05506	2.8
57.03430	6.5
57.07071	1.4
65.03925	2.5
67.05498	13.9
69.07058	6.3
70.74153	3.2
71.04977	1.3
77.32085	1.1
79.05486	14.6
81.03411	1.3
81.07049	19.5
83.04971	4.0
83.08616	3.7
84.32681	1.1
85.06479	1.1
90.23065	1.0
91.05461	6.5
93.07043	12.7
95.04994	1.3
95.08591	4.4
96.62993	1.1
97.06523	3.6
105.07039	3.0
107.04942	8.2
107.08582	6.9
115.05487	1.6
117.07030	1.9
119.08583	1.2
121.02839	7.6
121.06507	1.1
121.10122	3.1
128.06242	1.4
128.35571	1.1
129.07005	5.4
131.04926	2.9
133.10121	1.9
135.11661	2.5
141.07021	2.5
142.07774	1.3
143.08556	1.2
144.05702	4.7
145.06496	2.3
147.04424	2.6
149.02318	14.0
149.13245	7.6
152.06174	7.9
153.07011	3.2
157.06476	15.3
157.10127	4.3
159.11716	3.8
160.05177	3.0
163.03902	5.6
165.06998	8.6
166.07806	3.1
167.08545	13.8
169.06496	4.6
170.07303	5.9
171.04373	1.3
171.08070	4.4
173.06000	3.1
175.03915	3.7
176.04747	2.0
176.06050	1.9
177.05569	1.2
177.06900	5.2
177.12712	1.8
178.07777	4.4
179.08578	3.0
180.05881	1.0
181.06497	8.0
182.07292	2.6
183.08020	2.5
185.09604	21.4
195.08040	40.9
195.13779	1.4
197.06012	5.0
197.09517	1.3
198.06732	20.5
199.03909	1.4
199.07520	16.5
200.04640	5.7
205.06450	1.2
209.06038	1.7
211.07486	1.4
212.08359	1.3
213.05678	6.2
213.09077	41.0
219.08051	1.1
223.07527	22.5
224.08221	2.9
226.06204	13.5
227.07042	4.0
239.70068	1.1
240.07742	2.5
241.08566	100.0
242.08780	1.5
251.07063	7.6
254.05695	1.7
269.05273	2.3
269.08087	28.7
269.11145	2.2
269.17395	7.1
288.49774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Isopratol
Peak:m/z	Relative Intensity
53.03942	3.7
55.01868	3.6
65.03925	5.9
67.05492	5.0
69.03404	2.7
70.08755	10.7
79.05489	12.0
81.03413	5.9
81.07046	7.4
82.09872	2.4
91.05460	3.3
93.03398	2.5
93.07019	4.8
95.04958	4.9
95.08618	2.9
103.05447	3.2
105.03389	4.4
107.04957	6.5
107.08572	2.2
109.02884	2.4
111.04453	2.2
115.05478	2.8
119.04947	2.3
121.02859	90.9
121.06526	5.0
128.06241	4.4
131.04906	8.0
133.02818	1.9
143.08598	3.4
144.05867	2.0
147.04407	7.4
149.02335	31.4
149.13245	2.7
152.06195	27.0
153.06979	7.8
157.06487	5.9
159.04390	11.0
163.03902	6.2
165.06990	14.7
166.07748	7.7
167.08557	26.1
169.06485	7.3
170.07188	2.2
171.08025	8.9
175.03932	14.5
176.06177	5.5
177.06987	14.9
178.07770	9.6
179.08519	6.2
181.06447	26.2
182.07330	2.3
183.07999	3.1
184.05124	2.9
185.09573	3.6
187.03905	4.8
191.05923	2.2
193.33545	2.1
194.07245	4.5
195.08047	62.5
197.06013	14.5
198.06747	9.9
199.07541	53.2
200.04747	3.9
205.06491	9.2
209.05940	21.9
212.04727	2.1
213.05383	8.4
213.09029	12.5
223.07539	64.9
224.08257	5.7
225.05467	17.0
226.06245	23.2
227.07033	46.2
233.05963	6.3
236.04610	2.4
240.07791	19.0
241.08582	75.4
251.07030	100.0
252.07372	3.5
269.08081	78.7
269.11017	4.0
269.22748	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01876	0.3
57.03436	0.5
64.88306	0.2
69.03436	0.3
69.20464	1.7
71.42184	0.2
72.23129	0.2
73.02908	0.2
73.81906	0.2
85.02882	0.4
94.04024	0.3
94.59081	0.2
98.21559	0.4
119.03563	0.8
133.04892	0.2
136.06181	100.0
137.04601	0.4
137.06573	0.5
252.55867	0.2
268.10394	5.1
271.01364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.2
55.05501	7.0
56.05030	22.5
57.03434	2.8
58.06601	17.7
59.04984	2.8
61.75262	2.4
63.30393	2.3
67.05492	11.0
69.03415	9.1
69.07056	3.4
70.06576	4.9
71.04984	10.0
71.52094	4.8
75.53016	2.5
79.05483	9.5
80.05013	4.1
81.03395	8.9
81.07053	16.0
82.03745	3.6
82.06553	3.4
82.51907	2.6
83.04961	7.9
83.08591	2.4
84.04492	9.2
84.08145	6.2
85.06538	2.4
91.05453	6.1
93.07071	11.4
94.06565	3.4
95.04933	7.9
95.08601	18.0
96.08121	18.7
97.02862	3.6
97.06517	8.5
98.06050	2.9
98.09681	8.0
99.04454	13.4
105.07026	11.6
107.08588	18.1
107.28899	2.4
108.08099	10.8
109.06530	8.9
109.10140	12.5
110.09647	4.2
117.06997	3.8
118.83086	2.3
119.08563	11.2
121.06493	4.6
121.10155	12.4
122.09645	4.8
123.08070	11.2
123.11759	2.5
124.03942	40.7
124.07581	3.7
124.11260	5.0
125.09634	4.4
126.09160	4.7
131.08595	4.7
133.10103	10.7
134.09618	5.9
135.08038	9.9
135.11707	2.5
136.06227	3.5
136.11220	5.0
137.09616	6.3
139.11166	3.1
140.10660	2.3
145.10147	5.2
147.11656	8.3
148.11127	6.4
149.09636	12.2
150.12695	4.0
151.11201	3.6
152.14369	4.8
154.08641	9.1
161.09586	2.7
161.13106	3.1
171.07970	2.5
175.11188	8.8
176.10667	4.0
189.12779	6.4
191.14307	3.5
192.13852	2.6
193.12279	3.9
194.11803	4.6
200.18127	2.5
203.14310	3.0
206.15358	4.5
207.13817	4.1
232.16925	19.1
233.15414	5.3
246.47807	3.5
250.18015	100.0
252.10173	4.2
268.08072	10.0
268.16339	3.6
268.19077	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.5
57.03429	1.0
58.81323	0.2
69.03417	0.9
69.68771	1.3
73.02908	0.9
78.03555	0.2
81.03407	0.4
85.02898	1.7
94.04046	0.4
97.02892	1.2
98.97598	0.2
101.00871	0.3
103.03881	0.2
106.02869	0.3
108.92535	0.2
109.02876	0.5
119.01871	0.8
119.03535	0.8
124.03943	3.7
127.03905	0.4
131.01874	0.5
133.04971	0.2
136.06178	100.0
137.04570	0.4
137.06573	0.4
143.01839	0.4
145.04884	0.2
153.01837	0.9
155.01888	0.3
157.03458	0.3
161.02928	0.3
168.06607	0.3
173.02960	0.5
185.02957	0.3
245.05124	0.4
250.10774	0.2
263.02814	0.4
268.07971	0.8
268.10400	5.8
268.16382	0.5
271.06622	0.3
272.06805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1951
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
51.11726	1.7
53.03936	4.3
55.01865	3.4
55.05503	16.0
57.03435	21.1
57.07060	4.3
65.97465	1.5
67.05500	29.1
67.73672	1.7
69.03414	5.1
69.07072	12.3
71.04990	3.3
73.87914	1.4
79.05487	23.7
81.03412	87.3
81.06593	3.0
81.07052	45.7
83.04972	7.7
83.08617	15.6
85.06506	1.8
88.33491	1.5
91.05470	34.3
93.07040	28.9
94.45934	1.3
95.04968	22.0
95.08604	36.6
97.02901	2.9
97.06526	7.7
97.10159	2.3
98.20739	3.8
103.05468	1.7
105.07027	48.8
107.04943	6.7
107.08580	27.9
109.06512	7.4
109.10147	15.0
111.08088	12.4
117.07024	7.6
119.08573	62.4
120.17551	1.8
121.06508	2.5
121.10128	23.7
123.08055	5.3
123.11691	4.4
125.09594	10.4
128.06255	2.9
129.06987	11.6
131.08560	27.8
133.06508	3.0
133.10115	37.8
135.08073	3.9
135.11655	7.4
137.09602	4.1
139.11121	2.1
142.07751	7.6
143.08571	13.6
145.10115	58.6
147.08061	2.5
147.11667	33.7
149.09615	10.6
149.13243	5.8
151.11217	3.6
155.08492	2.2
156.09340	5.3
157.10115	27.5
158.10907	4.4
159.11682	31.5
161.09624	2.9
161.13228	10.0
163.11139	6.4
163.14806	9.9
165.12749	5.0
169.10103	2.6
170.10869	3.0
171.11665	19.4
172.12465	9.1
173.13251	20.8
175.11136	10.8
175.14838	15.7
177.16356	5.6
178.07750	4.6
179.08539	5.0
179.14417	1.9
183.11629	4.1
184.12538	2.7
185.13249	6.5
187.14806	100.0
189.12781	3.1
189.16362	7.2
191.08630	1.9
191.14301	27.4
193.12244	17.2
197.13210	2.3
198.13962	2.2
201.16371	25.5
203.14352	4.9
203.17908	4.3
205.15916	7.3
206.07210	3.4
207.08139	10.2
207.17517	2.5
213.16367	33.7
219.17464	12.1
224.08313	3.0
231.17426	59.9
235.07545	19.3
236.07948	2.3
239.10646	3.1
249.15065	1.5
249.16016	2.6
249.18436	19.1
252.07788	2.0
267.10190	20.7
267.15924	44.1
267.19577	58.2
268.16339	2.4
268.19891	2.1
285.10034	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03954	3.4
55.01868	1.5
55.05509	7.2
57.03435	20.6
67.05510	11.3
67.62935	0.7
69.03429	3.3
69.07072	2.4
69.49868	3.5
69.50275	1.3
71.04984	1.3
79.05494	13.6
81.03416	100.0
81.07054	12.6
83.04986	5.5
83.08620	15.9
85.02850	1.0
85.06575	0.6
91.05482	18.6
93.07034	6.9
95.04964	20.3
95.08588	5.2
96.05270	0.8
97.02871	2.2
97.06547	1.6
97.10175	1.8
101.47898	0.6
105.07027	13.4
107.04948	4.3
107.08609	3.4
109.06541	4.1
109.10143	1.4
111.04432	1.6
111.08074	5.0
115.05512	1.0
117.06998	1.6
119.04916	1.2
119.08588	12.0
121.06520	2.5
121.10119	3.8
123.08069	2.0
129.07002	8.0
131.08566	7.1
133.06483	2.8
133.10130	4.3
137.09624	1.5
137.74373	0.7
142.07764	1.8
145.10081	1.2
147.08047	2.3
147.11668	6.5
149.09653	2.7
155.08652	0.8
157.10159	8.1
165.12779	2.0
175.11162	9.4
185.13329	0.6
193.12247	19.5
211.13275	2.5
249.14775	1.6
267.15897	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03951	3.7
55.01868	2.0
55.05514	5.5
57.03440	19.5
59.04751	0.7
59.90787	0.7
67.05502	10.4
67.06120	0.8
69.03430	2.1
69.07063	1.9
69.26009	7.7
71.04996	2.0
79.05489	11.8
81.03416	100.0
81.07047	10.8
83.04980	4.7
83.08620	13.3
85.06536	0.9
91.05484	15.8
93.07035	6.9
93.07474	0.6
95.04967	18.1
95.08624	2.7
97.02903	1.5
97.06528	1.2
97.10174	1.8
103.34928	0.7
105.07042	11.9
107.04947	4.4
107.08591	2.6
109.06532	2.5
109.10159	1.6
111.04456	1.3
111.08091	5.3
115.05451	1.8
117.07024	1.5
119.05016	0.9
119.08580	10.6
121.06494	1.7
121.10122	5.0
123.08068	1.6
125.06007	0.7
128.06216	0.9
129.07010	8.3
131.08554	6.4
133.06520	2.8
133.10162	4.6
137.09645	1.3
142.07753	2.1
145.10172	1.0
147.08055	1.8
147.11707	6.0
149.09616	4.3
157.10147	8.4
165.12784	2.1
175.11194	8.4
193.12233	18.0
193.13879	1.3
211.13348	2.6
249.14882	0.8
267.15921	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	1.4
55.05504	5.6
57.03159	1.4
57.03432	19.7
67.05499	10.0
69.03420	1.9
69.07059	2.5
69.94228	1.9
69.94636	4.2
71.04981	1.8
72.64676	0.8
76.37573	0.9
78.30059	0.9
79.05487	12.7
81.03416	100.0
81.07053	9.5
83.04967	4.3
83.08613	15.3
91.05480	15.3
93.07047	5.0
95.04962	20.3
95.08586	4.2
97.02870	2.3
97.06522	1.7
97.10163	2.3
105.07024	13.7
107.04951	4.5
107.08570	2.9
109.06526	4.1
109.10152	1.6
111.04441	1.8
111.08070	7.5
115.05473	1.7
117.07001	1.9
119.04953	0.9
119.08578	9.3
121.06461	1.6
121.10124	4.5
123.08071	1.2
129.07016	8.1
131.08554	6.6
133.06451	2.0
133.10146	2.9
137.09621	1.1
142.07773	2.9
145.10132	1.1
147.08028	2.3
147.11685	7.0
147.65967	0.9
149.09612	2.1
157.10126	8.3
165.12733	1.6
175.11186	9.0
192.29459	0.9
193.12239	18.3
203.14320	1.1
211.13286	2.1
214.07674	0.9
267.15912	42.7
286.57544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
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
51.82217	0.7
53.03947	4.2
55.01882	3.3
55.05507	7.3
57.03435	20.3
57.07064	1.0
66.41478	0.6
67.05497	15.1
69.03433	2.7
69.07076	3.7
70.54119	0.7
71.04983	1.5
71.26289	1.5
79.05494	14.0
81.03413	100.0
81.07049	12.6
82.03756	0.9
83.04978	4.6
83.08616	14.2
85.06549	1.0
91.05477	16.4
93.07034	9.9
95.04376	1.5
95.04963	21.2
95.05577	1.1
95.08602	6.0
97.02876	1.6
97.06512	1.0
97.10156	2.0
105.03397	0.8
105.07024	13.7
107.04961	6.1
107.08611	4.2
109.06497	4.0
109.10156	2.9
111.04381	1.4
111.08067	6.6
113.10925	0.7
115.05451	1.2
117.06994	1.7
119.08581	12.2
121.06490	2.0
121.10151	6.0
123.08065	2.0
123.11647	0.8
125.09557	1.3
129.07001	6.6
131.08565	7.8
133.06447	3.0
133.10143	4.8
137.09579	1.8
139.47003	0.7
142.07750	2.9
143.08485	0.8
145.10114	2.1
147.08014	3.8
147.11684	5.4
149.09618	3.9
151.11214	0.7
157.10117	9.6
159.07961	0.6
163.11159	0.7
165.12730	1.8
169.10139	0.8
175.11188	8.4
177.92445	0.7
193.12239	20.3
205.12071	1.1
211.07620	1.0
211.13287	2.0
223.13278	0.7
231.13762	1.1
239.07034	1.3
249.14832	1.9
267.06528	2.8
267.15878	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.0
54.25909	3.3
55.01885	6.8
55.05491	6.9
57.03426	8.7
57.53839	3.2
58.77700	3.2
67.05492	12.9
69.03412	13.1
69.07065	4.5
69.63799	22.8
70.06567	4.0
71.04996	3.6
79.05485	20.3
81.03421	18.7
81.07049	14.9
83.04964	4.5
85.02905	11.2
91.05458	16.5
93.07021	15.2
95.04952	16.1
95.08597	9.4
96.84589	4.0
97.02892	5.1
97.06525	11.0
98.20855	5.3
99.04434	5.8
102.85892	3.0
103.05460	3.3
105.02735	7.0
105.03392	100.0
105.07027	22.5
107.04913	6.5
107.08595	10.0
109.02878	10.0
109.06483	4.4
109.10158	9.0
115.05450	9.4
116.06189	3.5
117.07016	4.6
119.04919	5.8
119.08572	14.7
121.06483	4.6
121.10151	10.2
123.04424	9.3
123.08010	3.4
124.03970	4.9
125.05982	3.2
127.03913	5.3
128.06221	4.2
129.06972	12.7
131.08542	13.6
132.05702	4.3
133.06497	10.5
133.10110	6.6
137.09656	4.4
141.07018	5.0
142.07767	3.5
143.08580	5.1
144.05670	6.0
145.06331	3.9
145.10059	7.9
147.04459	4.9
147.08012	7.6
147.11688	7.3
149.05995	4.1
149.09613	5.5
153.05450	6.7
157.06505	3.7
159.08017	16.5
161.05943	14.2
161.09566	9.4
167.07056	16.3
170.07211	6.8
171.08084	5.0
173.05971	4.7
175.07588	4.1
178.12253	6.2
183.08087	4.0
185.13214	4.2
187.07529	13.7
189.09094	7.1
189.12675	4.9
191.07123	5.1
193.08568	7.4
193.12244	5.0
203.06981	3.7
204.07785	6.0
207.06540	7.1
219.10136	10.8
221.11732	5.4
231.13699	5.1
239.07065	5.0
249.11203	60.1
249.14871	8.7
267.06323	8.2
267.08737	8.4
267.15897	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	266.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24220	0.4
57.03428	0.9
58.06617	0.6
59.05024	0.5
60.08169	5.8
61.02925	1.1
69.03425	3.3
70.16434	1.0
70.16842	1.3
73.02917	2.7
81.03415	1.5
85.02905	5.5
87.04466	6.0
97.02901	1.4
98.21487	0.6
99.04446	2.7
103.03935	1.0
104.10741	46.0
109.02909	0.7
127.03918	1.6
129.05441	0.8
133.01680	0.5
134.92264	0.5
157.03549	0.5
163.02721	0.4
164.03049	0.7
204.37099	0.4
266.15994	100.0
266.93912	0.4
267.16336	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.32010	0.3
55.05512	0.6
57.03437	0.5
59.04991	0.8
61.02940	1.5
69.03410	0.7
69.67613	0.5
69.68024	1.5
70.06598	0.3
71.04987	2.2
79.05494	1.5
81.03429	1.6
81.07059	3.7
82.03735	0.3
84.04530	0.3
85.02888	0.4
91.05470	0.8
93.07055	0.5
94.04055	1.6
95.04960	0.4
97.02872	0.6
105.03392	3.6
105.07028	0.8
109.02888	4.0
109.05158	0.3
109.10221	0.3
112.05089	0.4
119.03542	1.8
121.02844	0.5
121.41391	0.3
122.03217	0.3
123.04418	0.4
133.06535	0.4
136.06181	100.0
137.04614	1.9
137.06602	0.5
149.09724	0.3
161.05965	0.6
167.07082	0.3
178.06281	0.5
193.28101	0.3
207.06479	0.3
234.13498	19.5
266.16110	45.7
267.16348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03934	5.2
55.05499	12.8
57.07053	4.2
64.92760	3.7
65.03944	6.4
67.05496	28.4
69.03430	32.2
69.07045	6.9
71.04988	7.2
75.32440	4.2
79.05484	19.5
81.07065	19.6
83.04991	9.5
91.05474	55.8
93.03420	5.2
93.07053	37.8
95.04971	48.8
95.08604	22.3
97.02898	4.1
97.06549	8.3
98.20831	9.4
99.04433	8.3
103.05450	5.1
105.07026	76.0
107.04926	6.2
107.08616	21.9
109.02922	4.3
109.06492	28.0
109.10168	8.0
111.04458	31.6
111.08098	8.8
113.06015	18.1
115.05457	4.8
117.06995	18.5
119.04850	4.4
119.08581	100.0
120.06287	3.9
121.02856	24.2
121.06503	44.0
121.10133	17.0
123.08075	25.9
125.05989	4.4
128.06212	10.4
129.07010	15.4
130.07771	8.0
131.08559	45.6
133.06519	11.6
133.10139	18.7
135.08058	87.6
137.09625	12.5
139.03906	11.5
139.07584	7.7
141.06993	12.0
142.07771	12.2
143.08569	15.6
144.05711	4.6
144.09436	8.7
145.06468	17.3
145.10158	24.4
146.07225	5.3
147.04495	5.7
147.08047	37.8
147.11703	13.5
149.05931	4.8
149.09621	19.5
151.07562	6.4
155.08595	7.1
156.09335	10.2
157.06465	5.0
157.10100	23.7
158.07274	24.8
159.08044	41.3
159.11705	42.4
160.08827	5.8
161.09624	45.0
161.13293	4.9
163.07614	5.7
165.09116	32.2
167.10768	3.9
168.09470	5.1
169.10130	5.9
171.08044	7.8
171.11694	14.2
172.08781	21.7
173.09573	18.0
173.13219	26.9
175.07545	86.3
175.11176	38.4
183.11679	11.3
185.09732	4.9
186.10466	6.0
187.07607	4.8
187.11172	58.1
189.09128	14.2
189.12776	20.3
193.08650	34.3
196.08907	5.7
199.11183	17.0
201.09271	4.6
201.12770	39.0
203.10658	47.6
205.12285	13.9
207.10214	5.3
211.11200	26.4
217.12234	24.3
219.13786	9.4
229.12225	25.8
235.13258	12.6
247.13286	61.2
265.14319	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	265.1434
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
53.03933	3.3
53.21333	3.0
55.01855	8.1
55.05513	18.9
57.03421	5.5
57.07059	3.9
65.03925	3.1
67.05505	32.6
69.03432	28.4
69.07069	100.0
71.04976	7.7
71.51112	3.4
79.05490	27.6
80.65335	2.7
81.03410	12.0
81.07053	47.4
83.04961	10.4
83.08591	7.2
85.02880	11.1
85.06543	6.2
85.31468	2.8
87.04456	3.4
91.05476	32.3
93.07039	35.7
95.04974	17.9
95.08606	47.4
97.02892	75.0
97.06519	11.0
97.10175	2.8
99.04430	9.8
103.03893	3.1
103.05457	3.8
105.07022	46.7
107.04922	10.0
107.08588	41.5
109.02854	10.1
109.06517	17.1
109.10134	28.1
111.04446	15.4
111.08057	7.4
115.03960	2.6
115.05435	5.6
117.07018	22.2
119.08578	41.7
121.02824	3.2
121.06504	17.4
121.10152	44.9
123.04392	4.7
123.08064	10.1
123.11721	23.3
125.05945	6.9
125.09611	4.3
128.06178	3.2
129.06979	10.0
131.08585	33.6
132.09308	3.7
133.06494	7.5
133.10135	30.0
135.08061	20.3
135.11714	6.5
137.05975	4.7
137.09596	7.3
139.03889	2.6
139.07523	7.7
141.06953	5.4
142.07851	5.8
143.08533	11.3
144.09314	4.7
145.06493	17.9
145.10150	24.5
147.04378	2.9
147.08075	22.0
147.11682	16.7
149.05943	5.9
149.09595	9.8
151.07486	9.0
151.11194	20.3
153.05408	3.2
153.09099	7.2
155.08594	6.9
157.10104	11.6
158.10828	3.7
159.08090	13.9
159.11674	21.9
160.08797	3.2
161.05930	2.6
161.09628	12.4
161.13235	6.8
163.07549	23.6
163.11157	11.6
163.14816	4.2
165.09103	5.2
167.10638	3.7
168.09354	6.3
171.08134	2.8
171.11690	7.4
173.05994	6.3
173.09587	6.9
173.13245	28.5
175.11166	7.5
175.14796	4.5
177.09129	6.2
177.12732	5.4
179.07005	10.3
179.10651	2.8
183.02899	4.3
183.11685	14.1
187.07628	3.6
187.11218	10.9
189.12689	8.1
191.06995	11.4
191.10655	3.6
191.14236	7.3
193.10156	2.6
194.07249	3.4
201.12772	35.0
205.08600	6.4
205.12196	11.6
209.08121	7.0
211.11238	3.4
217.08656	3.7
217.12189	4.3
219.13786	47.9
229.12251	19.0
247.13268	52.4
247.16927	8.1
265.08444	7.2
265.11368	4.6
265.14316	95.1
265.17896	10.9
265.21814	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
53.03938	17.4
53.66010	5.6
55.01852	12.5
55.05495	21.9
56.96561	9.4
57.03428	13.5
57.07067	15.8
59.04995	11.2
61.02903	10.3
65.03940	11.2
66.07641	5.5
67.05502	35.9
69.03432	31.7
69.07058	25.3
70.86740	6.7
70.87075	12.7
71.04988	20.1
73.02905	6.4
79.05494	44.3
79.05895	7.0
81.03419	52.7
81.07058	44.6
83.04972	51.2
83.08618	14.8
85.02900	49.9
85.06552	12.4
91.05493	49.9
93.07045	62.4
95.04974	28.2
95.08613	41.1
97.02925	14.1
97.06515	23.6
99.04486	14.8
105.07030	55.9
107.04954	7.6
107.08604	56.4
109.02878	77.6
109.06519	30.8
109.10146	21.9
111.04456	27.2
111.08070	18.7
111.11729	6.7
113.05991	13.9
114.04823	5.5
115.05426	12.9
117.07008	33.0
119.04903	9.9
119.08572	43.1
121.02872	59.2
121.06510	43.1
121.10160	45.1
123.08060	22.5
123.11739	9.9
125.09618	10.2
127.03896	13.7
128.06187	7.0
129.07018	14.0
131.04933	6.2
131.08591	43.7
133.06529	12.1
133.10115	22.2
135.08038	81.0
135.11708	12.6
137.05980	13.0
137.09589	14.5
139.03902	7.3
139.07574	8.4
141.06923	6.8
143.08531	18.4
144.09293	7.4
145.04984	7.9
145.06473	30.9
145.07530	6.6
145.10117	33.6
147.04443	18.0
147.08034	21.0
147.11678	10.6
149.05922	17.4
149.09688	27.7
151.03954	5.5
151.07524	10.6
153.09100	16.6
159.08076	16.9
159.11647	36.1
161.06021	10.3
161.09586	12.7
161.13179	5.5
163.03899	6.1
163.07527	56.6
163.11179	15.7
165.09084	7.8
169.10136	6.6
173.05951	12.7
173.09633	15.9
173.13292	19.3
175.11182	15.0
177.05450	9.3
177.09085	7.5
177.12761	10.0
179.10652	6.6
181.08614	12.3
183.11649	16.2
187.07520	5.9
187.11105	26.4
187.14742	7.8
189.12747	6.5
191.07030	13.1
193.12000	6.3
201.12729	38.6
205.08492	12.1
205.12238	25.6
209.08069	18.4
211.11111	11.6
219.13815	34.4
229.12201	37.9
229.15825	8.0
242.05249	5.9
247.13306	76.1
247.16924	17.7
265.06985	20.7
265.08774	6.3
265.11560	11.6
265.14355	100.0
265.17792	13.5
265.21747	6.8
265.28470	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.02617	3.8
53.03945	6.4
55.01871	9.2
55.05504	14.5
55.59688	4.0
64.49886	3.6
65.03936	8.8
67.05513	40.1
69.03432	43.2
69.07073	8.9
69.67588	16.8
69.68002	7.1
71.04995	14.9
79.05490	26.3
81.03413	20.7
81.07046	26.8
83.04979	19.4
85.02894	7.2
85.06562	6.1
91.05482	75.1
93.03420	9.4
93.07045	61.3
95.04968	67.8
95.08591	35.5
95.55200	4.0
97.02882	8.1
97.06528	12.7
99.04482	9.9
103.05448	9.6
105.06331	6.8
105.07024	91.2
105.07701	6.9
107.04960	6.6
107.08597	34.4
109.02878	16.0
109.06524	39.6
109.10165	14.0
111.04438	34.7
111.08099	11.7
113.06004	20.2
115.05463	13.7
116.06210	7.8
117.07001	20.5
119.04915	13.3
119.08582	100.0
120.08085	7.9
121.02869	50.6
121.06515	57.2
121.10150	18.8
123.04400	6.9
123.08065	28.4
125.06078	4.6
128.06227	8.0
129.07002	26.4
130.07779	12.8
131.05009	6.4
131.08556	73.0
133.06491	11.0
133.10132	21.0
135.08054	90.1
137.05981	7.9
137.09628	15.8
139.03896	23.6
139.07524	8.4
139.12244	5.5
141.06969	12.1
142.07797	13.3
143.08537	19.4
144.09326	7.3
145.06474	23.8
145.10106	41.2
146.07294	5.6
147.04416	25.4
147.08049	48.7
147.11731	19.7
149.06026	7.6
149.09639	19.0
151.07515	6.6
153.09085	9.2
155.08546	11.9
156.09317	11.1
157.06493	8.7
157.10089	24.9
158.07271	26.7
158.10924	9.1
159.08087	47.7
159.11702	51.9
160.08852	4.3
161.05989	6.5
161.09625	45.9
161.13321	10.4
165.09097	30.8
168.09367	10.3
169.10207	6.1
171.08061	15.8
171.11702	14.8
172.08821	28.2
173.09558	23.1
173.13277	22.6
175.07550	92.7
175.11165	43.3
177.09134	4.9
181.10094	4.3
183.11688	14.3
185.09682	5.3
185.13300	4.8
186.10413	7.3
187.11183	45.7
189.09138	15.2
189.12790	12.5
191.07005	6.0
193.08611	27.6
193.10103	5.5
196.08875	6.8
199.11206	20.9
201.12723	34.9
203.10652	52.8
205.08569	6.1
205.12164	9.0
207.10126	7.6
211.11134	29.0
217.12248	35.1
219.06569	9.9
219.13792	10.2
229.12175	37.1
235.13231	4.4
247.06273	4.3
247.13295	53.3
259.55737	4.8
265.07016	24.0
265.14435	68.2
284.52600	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66278	0.7
53.42471	0.6
55.05513	0.7
56.96565	4.1
57.03444	0.6
61.02923	0.8
64.49967	0.7
69.03426	2.0
70.10978	1.2
70.11395	2.4
73.02914	1.5
81.03412	1.0
82.99845	1.3
85.02896	2.8
94.73706	0.6
97.02904	2.9
98.97592	2.6
101.00870	16.6
101.01509	1.3
109.02907	0.8
113.00874	4.4
114.57917	0.6
116.98615	1.5
119.01917	41.5
121.01675	0.9
131.01900	21.5
137.02925	4.3
142.03470	1.3
143.01889	31.9
145.03447	2.0
149.02948	3.9
155.01886	8.7
157.03464	2.9
160.06540	0.9
161.02951	100.0
162.03200	1.6
173.01419	1.4
173.02950	26.3
175.04588	1.5
179.03990	3.8
184.04517	3.8
185.02982	6.3
188.96986	0.8
191.04005	20.4
197.02974	1.8
203.03992	15.5
214.05588	0.9
215.04053	1.2
221.05087	3.1
233.05054	1.5
239.06142	1.6
245.04807	0.9
263.06091	22.0
267.92941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.17145	1.0
55.05500	13.8
57.03441	1.3
57.07072	10.9
65.03909	2.1
67.05501	90.2
68.05824	1.1
69.03407	1.0
69.07071	13.0
69.37517	3.3
69.37942	5.9
71.04984	2.1
71.08625	5.9
71.08949	1.0
79.05486	19.0
81.07050	100.0
83.04964	1.9
83.08607	14.3
85.06527	3.2
85.10169	4.1
91.04981	1.5
91.05479	16.2
93.07038	23.4
95.04966	2.2
95.08601	81.8
97.06531	8.2
97.10164	8.1
98.21538	1.6
99.08086	5.6
105.04527	0.9
105.07023	12.9
107.08583	13.1
109.06521	1.0
109.10148	42.6
111.07381	0.9
111.08043	5.6
111.11741	1.1
113.09621	3.3
119.08584	12.1
121.10146	17.2
123.08050	2.8
123.11687	17.8
125.09598	1.5
127.11167	1.7
131.08525	1.9
133.10118	14.9
135.11670	11.1
137.09599	2.7
137.13240	8.3
141.12717	1.9
146.92354	1.0
147.11690	10.0
149.13254	6.9
151.11197	1.1
151.14771	7.5
155.14240	1.4
159.11725	1.5
161.13242	11.3
163.14821	7.5
165.16368	8.7
167.14209	1.1
173.13190	1.2
175.14851	6.9
177.16351	1.7
179.17891	4.7
181.15916	1.7
189.16371	4.2
203.17882	1.1
217.19495	2.0
226.60968	0.9
228.76259	1.0
245.18944	1.6
245.19846	1.1
245.22636	31.1
263.23679	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74803	17.5
69.75177	6.3
75.37304	3.3
77.28737	3.0
98.21439	3.3
101.00877	17.1
113.00893	3.3
113.31161	3.0
118.65401	2.8
119.01920	22.5
131.01904	11.3
143.01904	40.3
151.52644	3.0
155.01848	14.6
161.02956	100.0
162.03149	3.2
173.02954	40.5
184.04636	4.8
185.03006	5.1
191.04004	27.6
203.03973	18.8
221.05032	5.7
245.05179	4.3
249.90854	2.6
263.01743	19.3
263.05804	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01142	0.5
56.96547	0.5
58.99869	0.6
64.83406	0.4
67.53482	0.4
69.03429	0.7
71.48985	0.8
73.02894	0.6
77.00896	1.2
82.99826	1.1
86.99325	0.5
91.05474	0.5
94.30950	0.6
97.02890	1.6
98.97588	0.9
99.11887	0.4
101.00881	12.8
101.01456	0.5
102.96874	0.7
105.00352	0.6
113.00829	2.4
115.02451	0.6
116.98647	0.8
119.01921	51.2
120.02036	1.4
120.97890	0.9
121.01649	3.7
131.01907	18.9
133.03455	0.9
137.01988	0.9
137.02968	11.0
137.03932	0.4
138.98956	0.7
139.02550	1.2
141.00227	0.5
142.03500	1.8
143.01898	27.0
144.01930	0.5
145.03453	3.7
149.02948	4.6
154.03522	0.8
155.01891	7.1
157.03467	2.9
160.04485	0.6
161.02959	100.0
162.03065	1.2
167.01941	1.3
173.02959	23.3
173.49181	0.5
175.04543	2.0
177.01009	2.8
177.02365	0.7
178.00996	0.9
179.00691	11.5
179.04005	3.6
184.04552	6.2
185.02963	8.1
185.04596	0.8
189.00832	0.7
191.04005	18.5
196.04509	1.2
197.02975	2.2
203.01003	0.6
203.04018	16.2
204.04071	0.5
214.05560	1.7
215.03940	2.4
219.01970	2.1
219.03833	2.3
220.02039	0.9
221.01772	15.5
221.04877	3.9
223.01593	0.6
227.00699	1.6
231.01952	1.4
233.05113	1.7
239.06136	2.1
239.98526	0.7
245.01791	5.0
245.04907	0.7
258.03021	0.7
261.03043	0.8
263.02902	71.0
263.06134	27.6
264.02933	1.2
265.03473	0.7
279.10120	0.5
281.00311	0.6
281.07224	0.8
282.03027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33716	0.3
55.11513	0.3
57.06834	0.5
57.07070	5.4
58.06607	0.5
67.05492	0.5
70.06583	14.9
71.08621	3.8
76.07452	0.4
79.05475	0.5
81.03417	0.6
81.07010	0.6
81.64406	0.4
84.08121	1.6
86.09673	0.8
87.04472	1.0
88.07620	15.7
91.05444	0.6
102.09179	1.1
103.08549	0.4
104.10943	0.3
105.07045	0.5
106.08643	2.6
114.09145	6.2
118.08630	1.8
118.30556	0.3
119.04952	0.4
120.79088	0.5
121.10136	0.5
123.04385	0.4
129.06973	0.6
130.08598	0.6
131.08514	0.5
132.10184	21.0
133.10156	0.4
150.11235	18.4
176.14317	1.7
186.18527	1.5
200.20076	1.2
215.37605	0.4
217.08513	0.4
218.21123	6.1
233.08286	0.5
245.14963	0.4
262.17966	3.0
262.23746	100.0
263.09198	0.9
263.16385	0.5
263.23935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39837	11.9
56.68137	9.9
71.41817	17.1
71.86768	11.6
76.74889	10.1
83.87189	10.2
87.09613	9.7
101.00862	41.1
119.01939	67.7
131.01900	28.6
143.01859	45.8
155.01915	13.7
161.02962	100.0
173.02925	49.1
185.03043	11.2
191.04047	19.2
203.04016	28.2
263.01639	40.2
263.06097	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	262.2376
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05508	0.3
57.06796	0.4
57.07071	7.1
58.06596	1.7
62.19442	0.2
66.44602	0.2
66.88549	0.2
67.99400	0.2
68.05003	0.2
69.07044	0.2
70.06589	17.4
70.78443	0.2
71.08625	4.1
71.09011	0.3
72.08135	0.5
74.06081	0.2
84.08148	0.4
86.09722	0.3
88.07625	24.2
89.06042	0.2
92.80898	0.2
102.09174	14.8
107.43781	0.2
132.10156	1.0
140.15669	0.2
146.11760	1.0
147.93456	0.2
150.11214	0.6
156.17451	1.3
174.18504	0.4
182.19102	0.3
186.14398	0.2
187.70747	0.2
200.20084	46.3
201.20399	0.5
244.22720	3.0
245.22960	0.3
262.23752	100.0
263.24066	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	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
50.80646	0.4
51.33630	0.3
55.05507	1.0
57.07063	0.5
58.06599	8.4
67.05505	1.7
69.07064	2.9
70.06579	0.6
79.05474	1.0
80.05794	0.3
81.07055	2.9
83.08613	0.6
84.04494	1.7
84.38189	0.3
91.05503	1.9
91.05957	0.3
93.07034	2.4
94.06564	0.9
95.08598	4.4
96.08138	0.5
105.07042	4.2
107.08594	2.8
108.25803	0.4
109.06500	0.8
109.10135	1.4
110.09706	0.5
111.08050	0.6
112.07593	1.0
117.07050	0.8
119.08567	3.7
120.08858	0.5
121.06470	0.6
121.10145	2.3
123.08028	0.7
123.11693	0.7
129.06982	0.3
131.08566	6.3
133.10091	0.8
135.11707	0.6
136.11208	6.5
143.08534	0.9
145.10101	5.6
146.10538	0.5
147.11655	1.6
148.11223	0.7
148.60696	0.4
149.09558	0.5
157.10107	0.5
159.11665	1.5
159.18100	0.3
161.13231	1.2
163.14806	1.5
165.12685	0.5
168.13835	0.6
171.11653	0.5
177.16447	0.6
178.15863	0.7
185.13246	0.5
187.14818	4.8
203.17911	1.5
204.17433	0.6
205.15869	2.9
206.15366	1.5
216.18329	4.9
220.28574	0.4
223.37402	0.3
227.17932	0.4
229.37274	0.4
244.20628	4.7
245.18948	0.7
262.21646	100.0
263.05515	0.5
263.21985	1.6
267.01642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2166
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05528	1.1
57.07089	0.8
58.01686	0.4
58.06604	0.9
67.05520	0.9
69.07092	1.0
70.06635	0.4
71.51607	0.8
72.08197	1.2
73.06577	0.4
76.60500	0.4
79.05517	1.0
81.07090	1.6
91.05489	4.1
93.07081	1.3
94.06612	0.8
95.08624	2.0
96.08172	1.7
100.71445	0.4
105.07037	4.7
105.07604	0.4
107.08589	2.6
108.08951	0.4
108.88941	0.4
109.10162	0.9
110.00612	0.4
112.11259	0.8
117.07038	0.9
119.08578	3.0
121.06527	0.4
121.10194	1.3
123.11730	0.4
129.07037	0.4
131.08557	3.2
133.10138	1.9
135.11697	0.7
143.08591	1.3
144.08144	0.9
145.10118	5.0
147.11714	3.8
147.58810	0.4
148.11218	0.5
149.13287	1.0
150.12819	0.5
157.10115	0.8
158.09679	0.6
158.10912	0.5
159.11703	2.8
160.11192	0.7
161.13258	1.0
162.12788	0.5
171.11716	1.9
173.13284	0.7
175.14854	0.4
185.13312	0.7
186.12851	1.5
187.14847	4.8
188.14340	2.0
200.14394	1.6
201.14980	1.9
202.15831	1.8
203.18005	2.8
205.15904	1.4
214.16032	0.6
216.18222	2.1
227.17967	1.4
228.17429	0.4
229.18306	2.1
244.20621	55.7
245.21082	0.7
262.21664	100.0
263.08255	0.5
263.22098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.04802	0.8
52.20396	0.9
53.00301	1.1
53.03937	4.0
55.01867	1.0
55.05508	14.8
56.96502	0.9
57.03406	1.3
57.07059	5.0
64.74718	0.9
65.03944	1.8
67.05502	46.5
69.07064	13.8
69.95398	5.3
71.04990	2.6
71.08630	1.3
77.03899	1.0
77.90164	0.8
79.05492	59.1
81.07053	51.8
83.04957	2.1
83.08612	5.6
85.06538	3.7
86.20076	0.9
91.05476	30.6
93.07040	78.0
95.04977	4.5
95.08606	34.6
97.06518	4.2
97.10168	3.0
99.08102	4.5
105.04533	1.5
105.07026	21.3
107.08589	52.1
109.06548	2.2
109.10158	15.8
111.08070	2.9
113.09692	1.1
117.07006	6.8
119.08576	21.7
121.10140	42.6
123.08057	3.0
123.11701	3.9
131.08557	16.2
133.10135	14.6
135.08092	1.5
135.11682	34.5
137.09575	1.5
137.13242	1.4
139.11137	1.6
145.10109	17.8
147.11674	13.1
149.09550	1.6
149.13249	26.4
151.14818	1.5
153.12766	1.0
159.11697	12.6
161.13249	10.7
163.14821	21.3
165.12740	2.2
173.13254	12.7
175.14806	7.7
177.16344	6.6
187.14822	6.6
201.16319	3.1
203.17845	1.7
215.17944	22.9
233.22578	1.3
243.21074	27.6
257.14975	1.0
261.07495	1.1
261.18677	5.9
261.22128	100.0
262.22537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03945	3.1
55.01844	1.0
55.05509	13.1
57.03413	1.6
57.07074	4.4
65.03922	1.8
67.05502	40.4
67.99023	0.6
69.06737	0.8
69.07064	10.7
69.36557	6.1
71.04968	1.8
71.08627	1.0
76.82494	0.7
79.05492	52.2
81.07052	48.8
83.04957	0.8
83.08617	8.6
85.06535	4.1
86.30100	0.6
91.05473	27.1
93.07041	69.0
94.07318	0.8
95.04953	3.8
95.08601	32.9
97.06541	3.2
97.10153	2.9
99.08100	3.6
105.07027	19.2
107.08590	47.8
109.06503	2.5
109.10149	13.8
111.08110	3.9
113.09608	1.3
117.07006	6.5
119.08579	15.5
119.09394	0.7
121.10137	40.1
122.10457	0.8
123.04348	0.8
123.08089	1.0
123.11706	5.2
125.09590	1.0
129.06985	0.6
131.08560	14.1
133.10123	13.7
135.11684	34.9
137.09676	1.2
137.13187	1.3
145.10127	15.9
147.11690	11.3
149.09576	1.3
149.13254	27.8
150.13541	0.6
153.12686	0.8
159.11681	11.4
161.13252	11.8
163.14818	21.7
165.12724	1.0
173.13255	9.7
175.14832	3.4
177.16391	5.7
179.14297	1.5
187.14841	5.2
189.16313	1.0
196.91238	0.6
201.16391	3.1
203.17949	0.7
213.70555	0.7
215.17973	3.6
217.19511	1.1
219.17488	1.2
233.22711	1.4
243.18515	1.1
243.21075	32.2
261.22122	100.0
262.22443	1.1
278.69974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
51.02390	0.8
53.03942	2.2
55.05509	8.8
57.03428	1.0
59.04988	1.0
65.03932	1.9
67.05180	1.5
67.05505	16.7
69.03430	1.1
69.07069	8.9
70.18834	2.6
79.05491	21.8
81.06601	1.6
81.07059	27.7
83.08611	4.6
90.96362	0.9
91.05479	20.2
93.07043	50.2
95.04972	5.2
95.07990	2.2
95.08609	42.1
97.06536	4.6
97.10164	0.9
105.07031	38.6
107.08594	54.1
109.06507	2.5
109.10160	10.6
111.04430	1.7
111.08083	3.0
113.06013	4.6
115.05435	0.9
117.07010	6.3
119.08585	32.3
121.06522	1.9
121.10142	31.7
123.08044	1.7
123.11686	2.3
125.09606	1.1
129.06966	2.4
129.09068	1.0
130.07828	0.8
131.08563	15.9
133.06450	1.4
133.10136	17.6
135.08028	2.0
135.11711	9.7
137.09622	1.7
139.11148	1.0
143.08563	4.3
144.09305	2.0
145.10127	22.2
147.08063	2.7
147.11693	25.8
149.09648	1.8
149.13258	27.7
153.09102	2.1
157.10164	1.5
159.08060	1.3
159.11693	32.9
160.12456	1.1
161.09618	2.6
161.13261	40.2
162.14024	5.4
163.14777	2.1
165.09123	2.6
165.12717	3.0
167.10692	1.6
169.10149	1.9
171.11694	1.5
173.09680	1.6
173.13254	12.8
178.26894	0.9
179.10614	2.0
183.11694	2.2
185.13258	4.2
187.11208	3.8
187.14810	34.4
189.16364	1.2
201.12706	2.7
205.12268	3.6
205.20456	0.9
215.17950	100.0
216.18338	1.7
225.16347	2.7
243.17438	12.2
243.21130	1.4
261.18503	58.2
261.21994	3.9
262.14334	1.4
262.18945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.70196	1.1
53.03934	3.9
55.01849	1.4
55.05240	1.2
55.05503	18.5
57.07082	5.6
62.61739	1.0
65.03923	2.0
67.05503	48.5
69.03426	1.1
69.07061	15.1
71.04973	2.4
71.08595	1.3
72.36147	1.1
79.05489	57.7
81.07052	54.6
81.07491	1.3
83.04951	2.3
83.08607	9.4
85.06532	4.3
91.05479	31.8
93.07039	79.5
95.04950	4.7
95.08604	38.2
97.06520	3.6
97.10142	3.0
98.20734	2.4
99.08063	4.8
105.07024	22.1
107.08587	54.3
109.06517	2.4
109.10154	20.1
111.08078	3.8
111.11688	1.1
113.09593	1.5
117.07036	9.8
119.08576	17.4
121.10139	51.6
123.08019	2.4
123.11698	5.8
130.07713	1.1
131.08560	21.2
133.10118	15.8
135.11685	36.1
137.13216	1.2
145.10117	18.5
147.11679	11.9
149.09601	1.5
149.13264	32.7
157.10091	1.4
159.11687	13.9
161.13239	13.8
163.14821	23.2
165.12738	1.6
173.13281	15.0
175.14816	5.0
177.16406	5.4
179.14272	1.4
187.14809	10.0
201.16371	4.0
203.17978	1.5
215.17946	11.4
243.18587	1.8
243.21062	34.0
244.21382	1.7
261.03799	1.8
261.18762	3.0
261.22116	100.0
262.14441	3.0
262.22299	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	261.1847
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03951	1.2
55.05505	4.7
57.07070	1.7
62.14662	1.0
65.03902	1.0
67.05486	4.2
69.07059	9.2
69.34352	1.1
69.48055	1.8
69.48456	6.4
71.08620	1.1
79.05490	19.0
81.07061	6.9
83.08600	1.6
87.04476	5.8
91.05472	17.2
93.07041	16.8
94.07318	1.0
95.04939	1.9
95.08592	10.0
98.21115	4.1
105.07029	20.5
107.08585	93.1
109.06499	4.4
109.10172	5.8
111.08055	1.7
117.07005	4.7
119.07803	1.8
119.08572	17.9
121.06460	1.5
121.10130	11.3
122.12937	1.2
123.08036	1.4
128.06207	4.4
129.06970	3.7
130.07758	1.5
131.08557	19.2
133.10109	20.0
135.08040	3.3
135.11662	2.8
137.09595	2.8
141.06906	1.3
142.07721	3.2
143.08545	13.1
145.10110	16.3
147.11678	15.5
149.09596	1.6
155.08536	2.3
156.09377	1.2
157.10100	9.2
159.08031	1.3
159.11661	11.5
161.09558	1.6
161.13225	4.6
168.09238	1.2
169.10114	7.1
170.10863	1.7
171.11700	5.1
173.09636	1.5
173.13268	6.7
175.11267	5.9
175.14803	35.2
175.99710	1.1
181.10011	1.7
183.11707	9.6
185.13249	22.8
186.13966	1.1
187.11116	2.5
187.14771	2.3
189.12726	2.0
189.16351	7.8
195.11629	1.2
196.12415	1.7
197.13269	2.0
199.14806	7.2
200.15649	6.0
201.12732	2.7
201.16402	10.3
203.14328	2.1
210.14053	1.7
215.17938	49.6
219.17535	1.1
225.16350	13.9
233.15398	1.6
243.17438	28.3
246.11240	1.4
261.18481	100.0
262.14362	8.9
262.18759	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	261.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.2
61.62226	0.3
67.05512	0.4
68.19788	0.4
69.03420	0.7
71.49794	0.4
74.02451	1.6
75.93112	0.3
79.05495	0.4
81.03407	0.7
83.04971	0.5
84.04499	1.0
84.96017	0.3
85.02895	1.1
86.09711	1.0
91.05484	0.5
93.07031	0.5
95.04957	0.6
97.02900	0.4
98.97563	1.3
99.04478	0.4
99.05544	0.4
107.04953	0.5
115.05457	0.5
116.04982	1.3
116.98649	0.8
117.07045	0.5
118.06544	1.2
119.06046	0.3
123.04432	0.9
127.03925	0.3
130.06520	2.0
131.04927	0.4
132.04422	1.1
134.23271	0.3
134.99663	0.8
135.04399	0.4
135.06828	0.5
143.04587	0.3
143.06007	1.1
145.06566	0.4
146.05980	0.9
149.05901	0.4
151.03929	1.2
155.06056	0.6
157.07600	0.9
158.06020	2.0
159.08051	0.5
160.08693	100.0
161.07108	2.7
161.09032	1.5
170.05904	0.4
170.07080	1.6
171.04375	0.6
171.08008	0.5
172.08636	1.5
175.08723	0.4
177.05518	0.5
183.06767	0.4
184.07527	1.7
185.08391	0.5
186.09151	4.9
187.03975	0.5
187.09789	0.7
189.00572	0.4
197.12923	0.4
198.06625	7.7
198.09122	1.3
199.99809	0.4
201.00607	0.4
201.05501	0.8
214.99014	0.4
215.07047	0.5
215.98444	0.5
216.07672	42.2
217.08014	1.1
232.09669	4.1
233.04491	0.5
233.10321	15.1
237.02754	0.6
243.06502	1.3
243.21049	0.3
244.09668	4.4
261.04239	2.5
261.09830	60.5
261.22134	0.7
262.10208	1.0
279.03824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05717	0.5
52.25770	0.6
52.79223	0.5
56.96556	0.9
69.86846	3.3
72.97482	0.7
74.70390	0.5
79.14339	0.5
96.37125	0.6
98.97598	3.8
101.00869	5.7
108.73682	0.5
116.50756	0.6
116.98600	2.2
117.31223	0.5
119.01917	12.4
131.01924	1.1
134.99767	1.3
137.02962	2.9
143.01865	0.9
145.03450	3.8
157.36653	0.6
158.99814	0.8
161.02945	1.5
171.01381	1.4
177.00948	14.6
182.99831	1.2
189.02451	5.9
201.00876	1.1
201.02525	0.9
214.96375	2.2
217.04060	2.7
219.01996	20.7
220.02043	0.9
225.00980	2.0
237.98106	1.3
243.02008	8.9
256.96622	3.9
261.03055	100.0
262.03232	4.4
274.97736	1.3
279.00742	1.3
284.04703	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	261.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77983	1.4
56.96561	16.7
57.03435	2.2
58.99858	2.1
61.02909	2.3
65.79429	1.5
67.21371	1.8
69.03425	5.2
69.73838	9.2
70.83460	1.4
71.95270	2.3
73.02914	4.2
73.42899	1.5
74.31927	1.7
81.03426	3.1
83.04964	3.3
84.96023	1.8
85.02895	5.4
95.73065	1.6
97.02886	4.7
98.97581	37.0
99.04475	4.8
101.00873	14.2
109.02943	1.9
110.50414	1.4
110.97566	5.5
111.04491	1.5
113.00846	7.4
115.02441	9.0
116.98627	16.9
117.04017	4.8
119.01919	22.6
124.99052	1.5
127.02437	1.8
128.98615	7.2
131.01900	25.3
133.03471	17.1
134.99652	4.3
135.05043	4.7
137.02986	1.6
141.06462	1.5
143.00238	1.9
143.01884	11.0
145.03500	12.3
146.99661	5.2
147.01437	1.9
147.05017	2.9
149.02950	2.3
153.06648	1.8
155.01886	17.6
156.02675	4.4
157.03456	4.0
158.99669	6.4
159.05054	16.0
161.02971	12.3
161.06686	2.0
163.04512	2.7
170.99657	4.4
171.02658	4.6
171.05020	19.0
173.02951	17.4
173.06631	4.1
175.04546	3.7
177.00720	6.3
177.02321	1.6
177.06076	7.6
180.04713	1.9
185.02969	3.1
189.00725	3.2
189.06056	12.6
191.04007	2.3
197.44579	1.5
201.00546	1.8
201.02173	3.1
201.03848	4.2
201.06088	8.0
203.04054	7.5
203.07602	3.8
213.06068	5.7
219.01817	3.2
219.07262	3.3
221.05049	31.4
229.01349	2.0
229.03236	36.9
229.05458	3.5
231.00404	1.8
237.02814	4.1
239.05988	1.9
243.04704	5.0
243.07159	3.7
247.02492	2.5
257.00848	6.9
259.02411	2.5
261.05820	100.0
261.09369	88.8
275.01910	3.3
277.03662	2.1
279.03787	3.0
279.09302	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	260.2008
Annotation	Phormidinine A
Peak:m/z	Relative Intensity
53.03928	0.5
54.00687	0.4
55.05513	2.7
56.05009	0.7
57.07063	1.3
59.12329	0.4
67.05506	2.4
69.07059	7.5
69.23306	0.5
69.23639	4.8
70.06586	2.6
79.05482	3.5
81.07050	10.1
82.06579	2.3
83.08624	2.4
84.04502	1.8
86.06062	7.7
91.05485	5.8
93.05753	0.5
93.06487	0.8
93.07037	10.1
94.06557	1.7
95.04955	1.6
95.08600	8.5
96.04550	0.5
96.08142	3.7
97.06528	0.4
98.06046	2.1
98.09673	0.9
104.75134	0.4
105.07023	15.0
107.07411	0.8
107.08586	11.9
108.08118	4.8
109.06511	1.4
109.10140	3.2
110.09666	1.7
117.07018	1.8
119.08575	20.7
120.08073	0.5
120.25830	0.4
121.10139	7.2
122.06010	1.1
122.09647	1.0
123.08047	1.4
123.11690	1.9
124.07614	1.0
129.06955	0.6
131.08545	4.6
133.10109	11.9
135.11702	3.1
136.07588	1.5
137.13206	0.9
145.10088	3.6
146.09610	0.8
147.11653	2.5
148.11209	1.2
152.14290	0.9
157.37578	0.5
159.11674	3.3
161.13216	1.1
163.14790	0.8
173.13243	4.3
175.14816	13.2
177.16402	0.5
179.14273	0.8
187.14778	0.5
197.41150	0.4
201.16367	0.7
203.35518	0.4
204.10985	0.7
204.13887	0.5
215.17935	5.5
216.17691	0.4
224.13301	0.4
230.19016	1.3
232.20586	11.9
242.19069	1.3
260.17657	3.4
260.20078	100.0
261.20529	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05515	10.5
57.07066	1.7
67.05508	7.6
69.06739	2.2
69.07071	29.9
69.41533	14.0
71.04661	1.9
71.04998	21.4
79.05470	7.0
81.07063	14.9
83.04970	4.7
83.08598	6.7
85.06541	22.0
87.06530	1.6
91.05473	11.9
93.07038	15.1
95.04939	3.8
95.08599	20.3
97.06509	5.5
97.10163	1.5
98.21514	1.8
99.08105	2.3
105.03359	4.5
105.07031	24.6
107.08603	18.5
109.06528	7.6
109.10152	14.3
111.08047	10.8
115.05486	1.6
117.07011	6.6
118.44349	1.5
119.08580	49.7
121.10133	14.4
123.08053	3.3
123.11709	22.0
129.06961	3.8
130.07794	3.1
131.08575	15.0
133.10117	33.1
135.08055	12.9
135.11646	4.5
137.09607	4.2
142.07727	2.9
143.08557	9.1
144.09369	3.8
145.10115	33.9
147.11682	20.9
149.09547	2.6
149.13271	1.9
151.11139	1.7
153.29996	1.5
156.09303	5.0
157.10126	12.4
159.11700	30.8
160.12424	3.4
161.13249	33.3
163.11183	4.7
170.10991	2.0
171.11659	17.2
173.09677	1.7
173.13229	10.3
175.11169	4.1
175.14815	84.8
176.15498	5.2
177.12741	4.6
177.16420	3.3
185.13243	16.8
189.12720	4.5
189.16396	6.2
190.13503	2.9
191.14160	1.7
199.14792	5.1
201.14622	2.2
201.16377	24.1
203.14276	10.7
213.16315	2.4
215.17963	8.1
217.19588	3.5
229.15840	2.1
241.19475	17.8
259.20566	100.0
260.20804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Yangonin
Peak:m/z	Relative Intensity
53.03943	0.5
55.01854	0.8
55.05503	0.8
65.03944	0.8
66.04714	0.6
67.05498	0.6
69.03419	0.5
69.07049	1.3
69.98968	1.2
69.99370	0.6
76.07838	0.4
79.05495	4.3
81.07053	1.2
89.03918	0.7
90.04704	0.8
91.05477	6.6
92.06258	0.7
93.07020	1.0
94.04152	0.4
95.01304	0.4
95.04960	1.5
95.08566	0.5
97.02945	0.5
97.06534	2.1
103.05460	1.9
105.03354	0.6
105.07026	12.1
107.04965	1.0
107.08576	3.3
109.06510	0.6
109.10175	0.6
115.05465	1.0
117.07013	1.5
119.04953	2.3
119.08569	1.1
120.05714	2.4
121.06508	1.0
121.10175	0.7
122.03635	1.1
123.04427	2.8
123.08051	2.8
128.06219	3.9
129.06992	1.4
131.04956	0.9
133.02834	0.5
133.06575	0.6
133.07596	1.4
133.10114	0.7
134.03615	0.6
135.08052	16.4
137.05954	4.4
138.06744	1.1
139.05440	1.2
141.06978	1.1
143.08539	0.6
144.05688	0.5
145.02835	0.5
145.06497	2.7
145.10179	0.4
147.04413	0.6
147.11707	0.7
148.05156	0.8
149.02353	0.5
153.06984	0.6
155.04861	1.1
156.05681	1.2
157.06488	1.1
157.10170	0.6
159.04398	1.2
161.05978	1.5
163.03883	2.6
167.04945	0.8
168.05699	9.1
169.02902	0.4
169.06453	1.5
171.08018	1.5
173.05981	3.2
174.06718	0.6
175.03871	0.5
181.06560	0.5
183.04442	0.8
184.05197	14.9
185.05974	5.4
187.03859	1.0
187.07495	3.3
188.08345	1.4
196.05191	25.5
197.05959	13.4
198.06726	1.4
199.07532	5.2
200.04709	0.5
201.05476	8.4
201.16479	0.4
212.04677	27.8
213.05453	60.0
213.16386	0.4
214.05960	1.2
215.07039	3.6
216.07770	1.3
217.04974	0.5
217.08524	0.6
226.06123	0.6
227.07024	52.8
228.07780	6.1
229.04942	7.2
229.08426	0.5
241.15817	0.5
243.06546	3.5
244.07303	9.9
259.09647	100.0
259.20590	1.2
259.24258	0.8
260.09961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
52.56443	1.1
53.03942	13.5
55.01869	2.9
67.05507	2.5
69.03407	3.8
69.07044	1.8
70.61980	3.9
71.01349	8.7
73.57605	1.1
75.51820	1.3
79.05473	2.8
81.03399	3.1
81.07049	1.9
83.04967	2.4
91.05458	8.3
93.07010	6.3
95.04951	4.4
97.02879	2.9
97.06515	6.0
102.79491	1.4
105.03405	1.5
105.07025	3.5
109.02876	31.4
115.05445	11.3
117.07015	2.1
119.08587	2.0
121.06492	6.4
123.04404	5.5
124.01974	1.2
128.06232	5.1
129.06992	5.1
131.04906	1.6
131.08557	3.2
133.06483	8.1
135.04486	1.6
137.05968	3.6
141.06998	10.6
142.07730	1.4
143.04958	3.0
143.08559	7.2
144.05798	1.6
145.06477	2.8
145.10178	1.5
146.06003	1.7
147.04395	2.5
149.05960	7.3
152.06184	2.5
157.06581	1.7
157.10127	2.7
160.05191	53.2
161.02391	3.0
161.05972	97.0
161.09590	3.0
162.06435	1.5
163.03883	4.2
165.07028	1.3
167.04930	1.5
167.08546	5.8
169.06474	5.5
171.08064	4.4
173.05978	4.6
175.03873	3.5
175.07515	1.6
184.05264	2.3
185.05975	4.5
185.09579	3.2
186.06577	1.2
187.07518	3.8
189.09097	89.4
190.09454	1.7
195.08080	7.9
197.05963	2.1
198.06706	2.5
199.07545	1.9
203.07037	1.7
212.04668	1.3
213.05464	4.8
213.09044	12.7
215.06993	28.7
215.08875	1.9
215.10475	1.4
217.05104	2.1
217.08595	27.7
226.06371	1.2
229.04956	1.5
230.05630	2.6
231.06421	2.1
231.10178	1.9
231.20975	1.2
241.08556	4.3
242.14365	1.4
259.05508	2.6
259.09650	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	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.6
55.01851	0.5
55.05497	0.6
56.05011	0.6
56.96343	0.4
56.96561	4.0
57.03426	0.4
57.07070	0.6
58.99581	0.4
61.02908	0.8
67.04239	2.0
67.05492	0.8
68.74089	0.4
68.99792	0.5
69.03404	1.3
69.07055	0.6
70.06590	0.8
71.01033	0.7
71.01378	1.0
73.01120	0.5
73.02856	0.4
74.00658	7.9
79.05480	0.7
81.03404	0.9
83.04974	0.6
84.96024	0.6
85.02890	1.8
85.06537	0.4
91.05467	0.8
95.04962	0.6
97.02876	2.6
98.97573	4.2
100.02194	100.0
101.02523	0.6
105.07038	0.7
107.08578	0.5
109.02862	0.8
110.76230	0.4
111.05558	0.9
113.06025	0.4
114.05495	0.8
115.05488	0.6
116.98607	2.9
118.03241	5.6
119.01898	0.7
119.04984	0.6
119.08540	0.5
120.01141	0.7
123.04376	0.6
127.03933	0.8
128.98637	0.9
130.06514	1.2
130.08597	0.5
131.00084	0.4
133.10150	0.5
134.99638	1.6
135.04395	0.6
137.05959	1.3
139.03830	0.5
140.98682	0.4
146.02695	99.2
146.99551	0.7
147.03136	0.7
147.04410	0.9
149.01241	0.7
149.02345	0.4
150.05449	0.6
153.00696	0.6
153.01820	1.7
156.03342	0.6
157.06442	0.7
157.07640	1.5
158.99686	0.7
159.03352	0.5
161.04643	1.3
161.05910	0.6
162.99229	0.6
167.07050	0.5
170.03456	0.5
177.00752	1.9
178.04933	0.9
184.07616	0.6
185.05833	0.5
187.07520	0.7
196.07591	2.3
213.05544	2.4
213.06998	25.2
216.93503	0.4
221.05069	0.6
224.07141	1.9
231.02991	0.7
231.06602	0.8
242.08119	5.0
259.07532	25.2
259.10394	1.4
259.13306	1.1
259.16751	0.8
259.20682	0.9
260.10419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0962
Annotation	Yangonin
Peak:m/z	Relative Intensity
53.03931	0.7
55.01849	0.6
55.05495	0.3
58.85450	0.3
63.88711	0.3
65.03928	0.5
65.28149	0.2
65.96554	0.3
66.04709	0.5
67.05488	1.1
69.07024	0.4
69.48476	2.3
72.08160	0.3
78.04693	0.4
79.05486	3.3
81.07043	1.0
85.02868	0.3
89.03909	0.3
89.53791	0.3
90.04694	1.2
91.05474	8.7
92.06258	0.7
93.07041	0.8
94.04160	0.5
95.01311	0.4
95.04960	1.9
95.08572	0.9
103.05474	2.0
105.03384	0.5
105.04494	0.4
105.07024	12.1
107.08583	3.0
108.05756	0.5
109.06474	0.7
109.10157	0.7
113.77244	0.3
115.05435	0.9
117.07015	1.7
119.04942	2.2
119.08541	1.0
120.05722	2.9
121.06493	0.6
121.10101	0.8
122.03636	0.5
123.04430	2.1
123.08058	2.4
128.06184	3.0
129.07001	1.5
131.04913	0.7
131.08557	0.5
133.06650	0.4
133.07613	1.3
133.10094	0.6
134.03658	0.8
135.08043	16.8
137.04939	0.2
137.05968	5.2
138.06738	0.9
139.05392	1.0
141.06966	0.7
143.08519	0.9
144.05623	0.3
145.06503	2.4
145.10077	1.1
147.04375	0.3
147.07991	0.3
147.11668	0.7
148.05179	1.4
152.06189	0.4
153.06985	0.5
155.04861	1.5
155.06059	0.7
156.05676	0.9
157.06450	1.4
157.10101	0.8
159.04404	1.2
159.08061	0.7
159.11635	0.5
161.05956	1.3
161.13153	0.3
167.04889	0.6
168.05692	9.6
169.06445	1.2
171.08023	1.1
171.11691	0.8
173.05978	2.2
173.13274	0.4
175.07532	0.3
181.06477	0.6
183.04425	0.9
183.11652	0.5
184.05185	14.8
185.05952	4.4
187.03835	0.7
187.07544	3.0
188.08305	1.5
189.16486	0.3
196.05182	30.0
197.05966	12.9
198.06741	1.3
199.07521	4.3
199.14682	0.5
200.04559	0.5
200.08240	0.5
201.05447	7.5
201.16370	0.4
211.03926	0.7
211.07448	0.3
212.04662	28.1
213.05446	58.9
213.16344	1.0
214.05933	1.3
215.06999	2.9
216.07771	2.0
226.06244	0.8
227.07013	57.7
228.04263	0.4
228.07755	6.2
229.04950	6.6
229.08324	0.4
231.10199	0.3
241.15923	0.4
241.19406	0.6
243.06523	3.2
244.07278	10.0
258.27902	1.1
259.09637	100.0
259.20364	1.8
259.28159	1.3
260.09933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0601
Annotation	2,8-Dihydroxy-1-methoxyxanthone
Peak:m/z	Relative Intensity
52.79660	0.2
55.01867	0.2
55.05489	0.2
56.96545	0.4
65.03916	0.1
65.47272	0.1
69.03429	0.4
70.88120	0.4
74.02448	0.3
79.05492	0.2
81.04520	0.3
84.04472	0.2
95.04963	0.2
95.06084	0.2
97.02869	0.4
97.06501	0.2
97.58729	0.1
98.97589	0.2
105.47563	0.1
107.04943	0.2
115.05438	0.4
121.02808	0.2
123.98703	0.1
125.07141	0.2
128.06215	0.6
129.06987	0.7
132.33551	0.2
139.05409	1.0
141.06941	0.3
143.04930	0.3
143.08211	0.2
156.04297	0.2
157.06490	1.6
161.06010	0.3
163.03903	0.3
167.04948	0.5
171.04402	0.5
185.05965	1.8
189.05411	0.4
195.04430	0.5
200.04678	1.8
203.07063	0.2
213.05457	100.0
213.98648	0.3
214.05788	2.1
231.06506	0.6
259.06012	13.8
259.16586	0.8
259.20554	0.3
260.06281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98537	0.5
55.01857	1.9
57.03434	5.2
70.76153	1.5
75.04467	2.4
78.68337	0.5
79.05486	2.7
91.05475	1.4
93.07014	0.8
94.04192	0.8
103.05454	2.8
105.03364	0.5
105.07027	25.9
107.04957	3.0
109.06494	0.8
110.93943	0.5
115.66271	0.5
116.61546	0.5
117.06927	0.5
120.11270	0.5
122.03618	3.9
124.05219	0.8
131.04950	0.7
133.06487	50.1
134.06860	0.9
134.30093	0.5
135.04375	0.6
135.08029	1.1
137.05969	100.0
138.06310	1.0
147.08041	1.0
162.06808	0.7
163.07506	4.7
165.09106	28.5
172.43504	0.5
175.07617	3.4
177.09085	1.0
181.08604	2.1
183.10168	4.2
203.10715	2.0
221.11676	2.9
257.13922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05491	4.7
55.75143	1.0
57.07077	1.4
57.61674	1.0
67.05492	4.8
69.03429	1.4
69.07059	5.8
69.45383	2.9
69.45792	7.2
71.04974	4.7
79.05478	5.1
81.07039	5.2
83.04977	2.4
83.08621	1.7
85.06530	3.3
90.76525	1.1
91.05476	8.7
93.07032	13.2
95.04948	3.5
95.08601	13.0
96.65425	1.1
97.06497	1.6
99.08103	1.6
103.05471	2.4
105.07030	22.2
107.08585	12.8
109.06503	4.5
109.10153	9.1
111.08100	2.4
115.05397	1.7
117.07008	4.5
119.08574	22.7
121.06522	2.1
121.10138	58.5
123.08044	4.3
123.11709	2.1
128.06244	2.8
129.06992	5.3
130.07788	1.5
131.08562	14.5
133.07571	1.4
133.10124	9.4
135.08038	11.1
135.11676	3.8
137.09601	5.0
141.06995	2.6
142.07761	6.4
143.08554	17.6
144.09299	3.0
145.10114	16.6
147.07910	1.2
147.11700	4.2
149.09630	4.0
151.11142	1.6
153.01797	2.0
155.08575	2.4
156.09317	4.6
157.10120	24.4
158.10870	4.5
159.08058	1.7
159.11690	26.1
160.12520	1.5
161.09621	2.1
161.13214	2.4
163.11189	3.8
167.08658	1.2
168.09355	3.1
169.10127	11.2
171.11679	13.1
173.09647	3.7
173.13271	24.3
174.14061	4.2
175.11174	1.7
175.14787	3.3
177.12772	1.6
181.10078	1.3
182.10858	3.1
183.11690	13.1
184.12457	3.4
185.04741	1.2
185.13278	3.3
187.11131	7.5
187.14841	5.5
189.12766	2.6
195.11716	1.4
197.13235	7.7
198.14050	1.3
199.14807	31.6
201.12749	10.8
211.14764	2.0
213.16368	11.2
214.17136	3.5
215.14343	3.5
215.17906	10.1
224.15530	2.8
239.17938	14.9
257.08163	3.5
257.18994	100.0
257.26697	3.1
258.27948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0806
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
67.01877	2.1
68.99789	1.4
69.03420	1.1
69.80732	1.9
79.05492	3.2
81.12753	0.3
83.01318	0.5
91.05496	2.8
95.04986	0.5
97.02888	0.6
102.04657	0.4
102.09216	0.4
103.05465	21.8
105.03383	1.1
105.07039	0.5
107.04955	3.1
111.00792	0.8
123.04420	1.5
131.04926	44.1
132.05176	0.4
145.06519	0.5
145.10089	0.4
147.08043	0.5
151.03894	2.4
153.01828	90.7
154.02164	0.9
154.08977	0.3
155.08473	0.4
171.02875	2.2
173.05988	3.0
179.03448	1.2
183.32841	0.3
191.07013	1.1
215.07057	1.1
233.04433	0.4
239.07089	0.7
257.08084	100.0
257.18994	1.1
257.26645	3.0
258.08521	2.6
266.51373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03947	0.6
55.01858	0.3
55.05510	0.6
65.34713	0.3
67.01863	6.5
67.05497	1.1
68.99779	2.8
69.03442	1.5
69.07059	1.0
71.51254	0.3
71.51677	0.4
79.05499	3.0
81.03403	1.3
81.07059	1.7
83.01337	0.3
83.08595	0.5
91.05475	4.3
93.07052	1.2
95.04965	1.4
95.08629	1.7
97.02895	2.0
98.26826	0.3
103.05466	20.7
105.03408	1.5
105.07028	2.2
107.04958	2.3
107.08584	1.1
109.02897	0.4
109.06478	0.3
109.10147	1.0
111.00797	0.8
117.06949	0.8
119.08579	2.2
121.10141	1.0
123.04435	1.4
123.08080	0.3
123.11709	0.3
125.02331	0.8
127.03899	0.6
129.01874	0.8
129.07021	0.6
131.04929	40.8
131.08574	1.2
132.05325	0.5
133.06493	0.4
133.10101	0.9
135.08144	0.3
137.05951	0.3
141.06975	0.4
143.08545	0.6
145.06459	1.0
145.10098	1.2
147.08043	0.7
147.11719	0.9
151.03903	2.3
153.01828	100.0
154.02142	1.0
155.04840	0.5
155.08470	0.4
157.10120	0.5
159.08092	0.3
159.11688	1.1
160.07626	0.4
161.13258	0.6
165.07002	0.7
171.02887	19.1
171.11638	0.6
173.05948	2.5
173.13297	0.7
175.14827	0.3
179.03406	1.3
183.08083	0.4
183.11673	0.6
185.13292	0.4
187.07495	0.4
187.11288	0.4
187.14783	0.4
191.07016	0.7
197.05969	0.4
197.13248	0.4
201.16406	0.7
211.07602	0.8
211.15067	0.4
215.07094	1.5
215.10709	0.4
225.09099	0.7
239.07010	1.1
257.08087	93.2
257.18839	1.9
257.22604	2.6
258.08432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.8
57.03432	19.3
58.27997	2.5
58.99858	5.7
61.02905	8.4
69.03420	11.0
69.07053	2.0
71.01364	2.6
71.04989	4.8
71.50432	3.7
73.02924	14.3
81.03397	6.1
85.02908	25.5
85.53846	2.7
87.04447	4.4
97.02897	15.6
100.02486	12.6
101.00847	7.8
101.02363	4.9
103.03889	2.1
109.02850	3.4
113.00881	2.8
115.02425	35.8
115.03905	6.9
117.03979	8.4
118.03492	8.8
119.01923	30.1
124.03947	41.8
126.05415	3.3
127.02448	2.9
127.03940	4.4
129.01831	6.4
131.01909	16.0
133.03461	36.8
133.04962	3.4
134.05992	4.4
134.99545	2.5
135.05009	6.5
136.02885	2.4
137.02917	8.9
138.05481	10.0
142.03488	3.0
143.01907	8.5
143.03410	4.5
144.99786	2.3
145.03441	25.5
145.04991	4.1
145.99921	2.9
147.05058	2.7
149.02943	5.3
152.07085	7.6
154.03569	3.4
154.04733	3.1
155.01913	7.2
157.01366	4.3
157.03508	5.0
158.06598	3.2
161.02963	12.9
161.04408	8.2
161.05617	3.7
162.03122	2.5
163.04573	4.9
165.31345	2.2
166.93925	2.4
168.05028	5.5
169.03467	15.0
171.01357	8.3
173.02957	11.1
175.85638	2.3
177.02434	3.3
184.04561	6.4
185.02963	5.7
187.00919	7.5
187.03006	2.8
187.04466	14.1
189.02495	16.6
189.03925	18.1
191.03958	2.8
196.07091	3.6
203.03914	3.1
203.05592	5.7
205.01952	3.9
207.03447	14.9
210.02679	2.5
212.04077	13.5
215.00380	6.4
215.03966	5.6
230.05099	6.2
233.01395	41.1
234.01535	2.4
247.02818	3.3
250.99927	5.6
251.02490	100.0
252.02699	8.2
256.03012	83.7
256.09299	3.7
256.11725	5.4
256.26312	14.9
274.04074	57.6
274.07211	4.2
279.04688	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	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01853	17.3
55.05510	7.4
56.96558	6.9
57.03439	37.2
57.07066	6.1
58.99859	5.1
59.04971	5.7
61.02909	18.3
66.32503	4.2
67.05481	7.7
69.03423	28.0
69.77562	26.7
70.06583	4.2
70.92690	3.7
71.01348	8.7
71.04972	17.3
73.02917	33.6
73.03290	6.7
81.03420	13.9
82.01431	5.4
83.01325	7.1
83.04962	6.8
85.02901	65.7
85.06545	6.8
86.99331	4.3
87.04457	13.7
88.07601	5.4
89.02393	5.1
89.28002	4.0
91.05501	4.5
93.38455	4.3
97.02879	37.7
98.03212	4.2
98.97552	7.3
98.98462	6.0
99.04478	9.2
100.02472	16.3
101.00903	6.8
101.02380	32.7
101.06003	6.5
106.06528	4.9
109.02863	7.2
111.05538	8.6
113.02399	4.2
113.03463	4.6
115.02428	39.5
115.03922	38.3
117.03996	16.7
118.03475	10.0
119.01930	43.7
120.02023	4.2
124.03944	62.0
124.05865	5.1
126.05502	9.8
127.02408	14.2
127.03912	14.8
129.01854	32.3
131.01939	24.2
132.02045	4.5
133.03445	40.5
133.04993	11.5
134.05971	7.7
134.99629	4.3
135.05000	16.1
137.02934	13.5
138.05498	22.7
140.05566	5.5
143.01932	19.0
143.03389	20.8
143.05592	4.1
145.03456	100.0
145.04903	11.4
146.03632	5.7
147.01353	4.5
147.02940	4.6
149.02895	7.8
152.07079	23.3
153.03987	4.7
153.05710	4.2
155.01913	5.9
156.03326	5.5
157.01326	22.5
157.03476	13.1
158.06587	7.6
160.04643	9.0
161.03157	28.6
161.04425	28.2
163.04501	17.1
166.08636	4.5
168.05045	16.9
168.06522	6.4
169.03433	60.5
169.55220	4.7
171.01387	10.1
171.02834	9.3
173.02922	14.8
174.04486	8.0
174.55115	6.5
175.04466	7.6
177.02351	6.3
184.04608	13.8
185.02942	12.7
187.00894	6.1
187.02979	4.2
187.04521	72.5
189.02417	10.5
189.03912	79.1
192.05026	9.2
196.07184	5.5
197.02933	7.8
199.46806	4.0
203.05484	18.4
205.03625	5.7
207.03467	7.6
210.05983	19.0
210.11293	5.1
212.03998	12.1
215.00415	7.9
215.03973	8.5
221.06642	11.1
230.05179	8.8
233.01437	33.9
237.28723	4.1
245.05095	6.1
247.02927	4.8
251.02457	84.4
251.06107	9.4
256.03058	82.7
256.09344	8.7
256.11874	23.5
256.26331	35.9
257.05197	7.6
257.11362	12.0
258.32391	4.7
274.04022	47.5
279.04666	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	256.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62491	2.0
55.01857	6.0
55.05500	5.2
56.05030	3.3
56.96301	3.6
56.96564	49.1
57.03429	12.1
57.07067	5.1
58.99862	4.4
59.04987	4.7
61.02918	15.5
63.77648	1.9
64.90295	2.1
67.05489	5.0
68.98281	3.8
69.03433	18.2
69.07064	5.1
70.06576	6.8
70.98106	4.9
71.04982	5.7
71.16234	2.1
71.51115	2.6
71.95252	3.0
73.02920	15.4
77.00893	4.1
81.03419	12.0
82.06555	3.1
83.01346	2.5
83.04972	4.2
84.04491	2.6
84.08128	3.1
85.02901	32.4
85.06552	3.4
86.09689	3.2
86.99314	3.5
87.04462	4.6
91.03954	2.5
95.04953	3.7
97.02881	26.5
98.97582	78.0
99.04458	4.6
100.02480	7.9
101.00882	9.0
101.02380	2.1
103.02444	3.2
105.00361	5.2
109.01402	3.6
109.02885	5.0
110.06039	4.1
110.07169	7.7
110.97584	3.4
111.02935	2.3
111.04469	2.3
112.07610	2.9
113.00858	3.6
115.02416	19.1
115.03909	3.8
116.00229	3.7
116.98624	82.4
116.99467	3.9
117.03986	6.7
118.03492	5.4
119.01907	34.0
119.03440	2.1
121.01651	2.9
121.03523	3.1
124.03923	2.8
126.05515	3.8
127.02419	12.1
127.03928	9.0
128.98601	6.0
129.03940	2.5
131.01904	15.0
132.03502	2.7
133.01686	2.9
133.03473	23.5
134.99648	74.1
135.00673	4.3
135.05054	7.1
137.02954	11.2
137.05907	2.9
138.05392	4.9
140.00211	4.2
142.03482	3.0
142.08621	14.5
143.01888	10.6
145.03464	100.0
145.04762	3.9
146.03497	2.1
146.99638	6.4
147.01445	2.6
147.05923	3.1
148.03828	3.6
152.07071	3.8
153.00684	11.2
153.01845	19.6
153.02859	2.7
153.05774	15.7
153.55931	4.0
155.01849	2.6
156.05156	2.7
156.06473	4.0
158.01247	6.0
158.06595	6.0
158.99718	2.6
159.05020	2.8
161.01193	3.9
161.02950	23.3
161.04355	3.8
161.06636	17.6
162.03075	3.2
162.06337	17.5
162.56403	4.0
163.04671	12.4
163.05896	2.6
164.07141	2.5
165.00688	4.7
166.04968	2.2
168.03690	3.2
168.05058	11.0
169.03455	63.8
170.05191	3.9
171.01398	4.5
171.05026	3.1
172.04527	2.7
172.94305	2.6
172.97644	2.5
173.02995	4.9
173.06540	2.0
173.57161	4.8
175.04417	6.8
177.00757	4.6
177.02325	3.5
178.04927	3.1
179.07625	14.3
182.03206	2.8
184.04691	6.9
185.02859	3.2
186.06113	2.6
187.00987	5.2
187.02802	5.1
187.04509	85.4
188.04541	2.7
189.00888	2.8
189.02477	5.8
189.03990	3.5
190.05638	4.1
190.95357	9.4
190.98637	11.7
191.04015	4.6
192.05034	9.2
192.98735	4.3
197.02946	3.4
197.04488	31.2
201.02414	2.5
203.03993	3.5
203.07637	4.1
205.03702	3.7
206.02606	2.5
208.96428	5.3
210.02206	2.8
210.06119	12.7
210.11176	2.6
212.04045	4.2
214.05656	5.9
214.95403	2.5
215.04030	7.7
215.07584	4.2
216.98633	3.8
218.98129	6.1
219.01756	3.1
221.05052	3.8
229.05470	3.7
230.05310	3.0
232.06679	5.2
232.96437	8.8
232.99506	3.3
233.01508	24.0
233.05061	4.1
234.99730	8.8
236.99254	3.5
237.02795	5.8
244.05351	2.6
250.97522	6.6
251.02525	63.3
251.06134	10.8
256.03040	46.6
256.06485	10.8
256.11688	23.2
256.16342	3.8
256.26367	14.4
256.96524	5.6
257.05139	4.8
269.07220	7.6
274.01230	4.3
274.04086	30.2
274.07806	7.0
274.97485	57.9
279.04620	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	256.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03436	12.8
58.99857	5.3
59.04998	3.3
61.02905	4.9
69.03415	7.8
71.01321	1.9
71.04977	2.5
71.50260	2.5
73.02906	9.8
77.00893	2.6
81.03401	4.2
83.08623	1.8
85.02904	21.1
86.99396	1.7
87.04436	3.7
97.01362	1.6
97.02902	13.4
99.04439	2.8
100.02475	10.8
101.00867	5.2
101.02375	6.6
105.00294	1.7
113.00826	2.4
115.02429	33.9
115.03893	5.5
117.03973	7.5
118.03508	6.4
119.01917	20.5
121.01642	1.7
124.03952	30.9
126.05524	1.9
127.02394	3.2
127.03911	5.6
129.01833	5.2
131.01903	9.7
132.03401	1.9
133.03470	32.2
135.05000	8.4
137.02931	6.6
138.05496	5.6
140.05606	3.5
143.01881	4.9
143.03401	2.3
145.03421	22.8
147.01332	2.3
147.05055	1.8
149.02940	3.2
150.06584	2.0
152.07022	2.8
155.01874	2.7
157.01311	5.9
157.03490	2.5
158.06628	2.9
159.01350	2.2
160.04729	2.9
161.02930	14.5
161.04362	4.7
163.04517	2.6
168.05067	3.4
169.03447	7.7
169.05214	1.6
171.01381	9.4
171.02715	2.1
173.02933	7.8
175.04532	2.1
177.02525	2.7
184.04536	5.5
185.02959	5.1
187.00888	6.3
187.02896	2.2
187.04434	9.9
189.02406	15.1
189.03967	11.1
194.02853	1.9
197.02745	2.4
203.03926	3.5
203.05692	4.4
207.03468	10.1
210.08720	2.2
211.72264	1.8
212.04039	13.6
215.00389	7.2
215.04118	2.3
230.05128	5.4
233.01425	35.5
238.01903	3.8
245.04935	3.2
247.02853	3.7
251.02489	100.0
252.02678	2.3
256.03012	69.0
256.09186	2.8
256.11792	3.6
256.26291	12.2
274.04068	55.3
279.04578	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	255.1954
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
55.05510	26.5
57.07067	5.6
65.03957	3.4
67.05503	42.2
69.07064	38.4
69.50410	19.8
71.04993	18.4
73.26589	2.4
73.40734	3.0
79.05490	18.3
81.07053	96.9
83.04973	5.3
83.08613	25.0
84.49178	3.0
85.06533	13.0
88.80419	2.9
91.05446	18.1
93.07043	44.4
95.08605	100.0
97.06503	8.3
97.10147	8.3
98.98480	22.8
99.04441	59.4
99.08089	4.8
105.07024	28.4
107.08582	51.1
109.06511	6.3
109.10155	79.9
111.08062	10.5
113.09633	5.1
117.07010	6.2
119.07806	4.9
119.08581	47.2
121.10136	71.9
123.08081	10.4
123.11694	81.7
125.09607	10.5
127.07533	12.4
131.08577	6.2
133.10156	20.7
135.11668	20.4
137.13264	6.4
139.11185	3.5
143.08560	3.9
145.10101	20.0
147.11676	5.7
149.13261	7.8
157.08751	3.6
157.10117	6.9
159.11691	29.0
161.13260	37.2
163.11197	10.6
167.10690	4.1
169.12167	5.4
171.11560	3.3
173.13312	3.9
175.14807	17.7
177.12582	3.1
177.16373	67.2
179.14275	9.6
181.12265	9.0
185.13263	4.3
191.17908	6.4
197.05928	3.3
199.14804	3.9
201.16393	38.1
209.34685	2.8
211.07533	4.5
219.17429	42.4
226.06258	3.9
227.10690	3.4
237.18492	71.2
255.06441	4.3
255.10220	13.5
255.13841	3.7
255.17299	6.8
255.19418	7.4
255.21429	4.7
264.70609	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01866	5.3
55.05509	28.5
57.03435	56.2
57.07069	5.4
60.81485	1.4
65.03928	1.7
67.05502	81.1
69.03426	3.1
69.07068	27.6
69.76999	3.8
69.77415	4.0
71.01348	6.3
71.04989	9.9
71.08638	1.7
71.26327	1.1
72.49059	1.2
79.05489	75.7
81.02998	1.1
81.03413	8.3
81.07052	43.8
83.04973	21.4
83.08623	9.7
85.06542	7.0
91.05476	31.9
93.07038	83.1
95.04967	10.0
95.08600	15.6
97.06525	26.1
97.10162	23.1
98.98465	24.2
99.04457	1.6
99.08099	3.8
105.04535	1.3
105.07037	9.8
107.04969	4.6
107.08589	56.6
107.40186	1.0
109.06493	2.0
109.10151	11.9
111.08098	4.8
111.11652	1.7
115.05458	4.5
117.05356	1.2
117.06991	8.5
119.06051	1.7
119.08571	11.8
121.02898	2.1
121.06508	2.5
121.10126	15.6
125.09622	3.6
129.06990	3.1
130.07800	1.7
131.08554	2.1
133.10106	10.7
135.08054	2.5
135.11685	100.0
136.12027	2.0
137.09627	2.0
137.96732	1.1
143.08566	3.4
145.10117	19.4
149.02347	4.5
151.03821	1.3
152.05946	1.3
153.05457	1.3
153.06984	2.0
153.12761	3.4
155.08545	2.0
156.09299	1.3
157.06473	3.9
157.10127	3.8
159.11731	3.1
159.33104	1.2
161.13292	1.2
163.11183	12.2
165.07034	1.5
166.07663	2.1
167.08603	2.6
167.84760	1.2
171.07924	1.1
171.11703	4.7
175.03928	2.4
181.06436	1.6
181.10172	1.5
181.10658	1.7
181.12239	14.6
183.08073	1.8
185.13206	2.2
194.07367	1.9
195.08087	1.5
197.06047	1.8
197.13216	1.3
199.03908	3.0
199.11234	2.1
199.13202	1.8
199.14861	2.9
200.04716	2.3
209.06053	1.3
209.09607	6.0
211.07605	2.2
212.08214	1.5
213.05450	2.2
213.09052	1.3
213.12517	1.3
223.07718	1.4
226.06209	5.1
227.10587	4.8
237.09103	6.1
237.18524	1.4
245.13524	1.2
255.06508	4.3
255.10098	19.8
255.13702	1.8
255.15797	36.6
255.21034	11.8
256.10562	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.05512	26.9
57.03439	44.0
57.07065	5.9
57.63055	2.3
65.03910	3.0
67.05505	71.2
69.07066	25.2
69.45726	21.7
71.01352	6.0
71.04986	8.9
79.05492	61.3
81.03404	9.8
81.07053	34.7
83.04983	23.3
83.08598	10.9
85.06535	3.6
91.05480	29.2
93.07043	78.8
95.04961	7.5
95.08614	12.0
97.06538	22.1
97.10172	23.7
97.96211	2.3
98.21462	5.4
98.98457	18.7
99.08048	2.4
99.49110	2.4
105.07006	5.8
107.07866	4.5
107.08586	46.8
109.06495	4.3
109.10159	9.6
111.08092	3.2
117.07023	7.7
119.08560	8.6
121.10109	11.1
125.09620	3.2
133.10107	7.5
135.11688	100.0
136.12015	2.6
145.10156	14.9
153.12714	4.4
163.11200	13.8
167.02094	2.6
181.12248	17.4
198.46013	2.2
255.06406	3.8
255.15854	39.7
255.21037	6.6
256.26358	3.4
276.38480	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	255.065
Annotation	Chrysin
Peak:m/z	Relative Intensity
50.75903	0.2
51.79607	0.1
52.07718	0.2
55.01847	0.2
55.05500	0.3
57.03458	0.2
67.01863	2.5
67.05503	0.4
68.99783	1.5
69.07057	0.6
79.05484	0.4
81.03381	0.2
81.07048	0.7
85.06532	0.2
91.05495	0.2
93.07064	0.9
95.04943	0.4
95.08598	0.7
97.06497	0.3
98.21475	0.3
98.98479	0.9
103.05463	2.9
105.03401	1.2
105.07034	0.3
107.08585	0.8
109.10143	0.7
111.00786	0.2
119.08586	0.3
121.10144	0.4
123.08066	0.2
129.01852	0.2
129.03374	2.1
129.06984	0.2
131.08589	0.2
135.11674	0.4
145.10162	0.2
147.04425	1.4
153.01823	9.2
153.06982	0.5
153.12697	0.3
157.06477	0.2
159.11710	0.3
171.02870	0.7
171.04276	0.4
181.06503	0.4
187.07477	0.5
196.29276	0.2
201.16612	0.2
204.76958	0.2
209.06007	1.0
213.05460	0.7
219.17514	0.2
227.17987	0.2
229.29491	0.2
231.06544	0.4
237.05400	0.3
237.18481	0.5
255.06514	100.0
256.06857	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	Magnaldehyde D
Peak:m/z	Relative Intensity
55.01866	1.4
55.05503	2.8
57.03430	4.1
57.07084	1.0
63.56990	0.6
67.05502	4.9
69.07053	2.1
70.24954	1.7
70.25362	1.1
70.86121	0.5
71.01347	0.6
79.05486	4.5
81.03429	1.0
81.07053	3.2
83.04971	2.1
83.08598	0.8
88.42607	0.6
91.05476	3.5
93.07024	5.7
95.04958	1.9
95.08598	1.5
97.06554	1.2
97.10166	1.1
98.98455	7.0
105.07037	1.8
107.04967	3.4
107.08583	4.6
109.10157	1.0
112.56254	0.7
117.07037	1.2
119.04932	1.0
119.08569	1.6
121.02843	1.1
121.10153	1.2
125.43710	0.6
126.41256	0.5
128.06197	1.3
129.06982	2.2
131.04924	1.3
133.10092	1.0
134.45265	0.6
135.08034	0.6
135.11674	4.5
141.06943	0.9
142.07924	0.6
143.08562	2.6
145.06488	2.1
145.10098	1.4
147.04410	3.4
147.44411	0.6
149.13203	0.6
152.06180	3.0
153.06978	2.8
155.07114	0.9
155.08426	0.9
156.09300	0.8
157.06479	14.9
157.10101	1.0
158.07216	1.1
159.04442	1.3
160.05115	0.7
163.11183	0.9
165.07028	3.1
166.07791	4.8
167.07076	2.0
167.08492	0.9
169.06482	2.3
170.07256	4.1
171.08052	5.6
171.11707	1.8
173.05962	3.8
175.03874	0.8
179.08572	1.5
180.05695	3.8
181.04959	2.5
181.06482	5.8
181.10101	5.6
181.11571	0.8
181.12070	0.7
183.08054	1.3
184.05237	0.8
184.08832	4.1
185.05943	2.5
185.09555	3.0
185.13257	0.6
191.08540	2.2
194.07257	11.3
195.07973	1.1
197.05949	9.3
197.09576	2.0
198.06741	39.6
199.07503	8.0
199.11171	15.4
208.05173	0.7
209.06215	1.2
209.09607	36.7
209.11499	1.5
210.09918	0.7
211.07497	6.8
212.08292	10.8
213.09027	0.6
222.06703	1.1
225.09035	1.7
226.06229	13.9
226.09882	2.2
226.98123	0.6
227.06990	2.5
227.10646	100.0
228.10944	2.2
237.09097	7.2
255.06454	4.3
255.10141	54.1
255.15829	2.0
255.21109	1.2
256.10480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0651
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.43538	0.1
55.05511	0.2
57.03411	0.2
60.22329	0.1
67.01508	0.1
67.01862	2.3
67.05494	0.4
68.99789	1.5
69.07050	0.1
70.96606	0.3
70.96951	0.2
75.77066	0.1
79.05490	0.3
81.07026	0.2
91.05474	0.5
93.07025	0.7
97.06525	0.2
98.98441	0.5
103.04816	0.2
103.05463	2.8
105.03397	1.1
107.08556	0.2
117.07072	0.1
119.02014	0.2
121.02874	0.1
129.01851	0.3
129.03351	1.5
135.11676	0.3
141.06947	0.2
145.10106	0.2
147.04402	1.4
149.02342	0.1
152.06175	0.6
152.07288	0.1
153.01819	8.9
153.06952	0.5
171.02919	1.1
171.04314	0.2
171.29674	0.2
180.43956	0.1
181.06438	0.2
187.07524	0.4
209.05951	0.9
209.09549	0.2
212.31438	0.1
213.05405	0.5
218.37196	0.2
219.80190	0.1
226.06233	0.3
227.10767	0.2
231.06528	0.4
237.05391	0.2
237.09134	0.5
255.06508	100.0
256.06894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88840	3.3
56.96553	7.6
61.02925	7.9
66.68629	3.6
67.05480	4.2
69.03435	4.7
69.07057	4.0
71.01355	5.3
71.04988	16.9
71.51527	6.4
75.04479	15.5
79.05489	4.9
81.07042	5.6
93.06990	4.6
97.02860	5.1
98.97552	6.1
98.98462	92.0
101.04320	3.4
103.03915	19.5
116.54243	4.0
116.99469	4.1
120.08096	13.3
121.02854	9.5
124.03933	10.0
124.07583	10.3
131.03427	5.0
148.07558	3.9
159.02913	49.4
161.01221	4.7
162.05502	4.5
187.02394	4.9
205.64534	4.4
219.04982	100.0
221.03072	5.9
254.04843	4.0
254.08842	6.2
254.13855	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03931	1.8
54.90581	2.0
55.01870	3.6
55.05511	10.5
57.03446	8.9
57.07071	5.4
67.05499	20.8
69.03423	6.6
69.07069	16.9
69.40607	11.0
69.41021	4.6
71.05000	13.2
71.08636	2.8
79.05498	16.4
81.03403	2.0
81.07056	38.1
83.04974	5.1
83.08618	6.4
85.02895	2.3
85.06552	8.9
91.05491	10.4
93.07046	32.6
95.04962	14.1
95.08616	28.7
97.02885	2.4
97.06531	8.4
98.98466	100.0
99.04484	4.4
99.08113	3.9
101.06004	3.8
105.07028	23.5
107.08590	29.8
109.06527	13.2
109.10161	35.9
111.08081	6.7
113.06027	2.0
113.27492	1.9
116.99527	2.6
117.07098	1.9
119.08588	25.1
121.06491	13.7
121.10153	26.2
123.04442	2.2
123.08083	8.8
123.11729	7.1
125.05989	2.5
125.09647	7.8
127.07565	4.7
127.11167	2.5
129.37926	1.8
131.08575	7.4
133.10132	22.2
135.08073	5.9
135.11691	11.4
137.06021	2.9
137.09631	5.2
137.13252	2.5
139.07553	4.0
139.11214	2.1
143.08577	6.7
145.10141	9.6
147.08063	2.8
147.11691	24.2
149.09622	5.8
149.13286	6.2
151.03922	1.9
151.07587	4.2
151.11192	3.3
151.41710	1.8
153.12785	3.5
155.08525	2.4
157.10129	8.3
159.11726	6.0
161.09634	4.2
161.13268	8.4
163.07518	1.9
163.11166	6.1
165.06947	2.0
165.09189	2.0
165.12746	5.3
171.11729	3.9
173.13254	4.1
175.11154	6.1
175.14833	14.0
176.98770	2.5
177.12720	4.0
179.07066	3.2
179.10698	2.7
179.14275	2.7
182.07216	2.2
189.12790	5.2
189.16365	11.6
193.12318	4.9
193.15868	7.2
195.13797	5.3
196.08582	2.4
197.13306	2.6
199.11191	3.1
199.14821	2.9
207.13803	4.1
207.17505	4.1
207.27486	2.0
210.06866	3.0
211.07487	2.0
217.12280	10.5
217.15848	12.1
235.13243	6.9
235.16899	23.3
237.87515	1.9
253.08499	9.2
253.14307	4.0
253.17816	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	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03946	1.0
55.01855	0.8
55.05512	5.3
57.03437	1.2
57.07062	3.8
59.04992	2.5
67.05510	8.8
69.03429	1.9
69.07068	6.0
71.04982	5.0
71.08610	1.3
79.05502	6.5
81.03422	0.8
81.07058	14.7
83.04981	4.0
83.08620	2.3
85.06547	6.1
91.05470	9.5
93.07049	10.5
93.74426	0.7
95.04974	2.7
95.08614	10.5
97.06525	4.6
97.10194	1.0
98.98467	100.0
99.04453	11.4
99.08103	1.2
100.98873	1.4
103.05462	1.3
105.03358	0.9
105.07027	11.9
107.08589	15.8
109.06511	6.1
109.10165	9.3
111.08086	3.6
113.06033	1.2
116.99507	3.2
117.07023	1.1
118.80506	0.8
119.08594	9.5
121.06497	2.4
121.10146	4.4
123.08053	3.2
123.11674	1.5
125.09605	2.0
131.08600	3.1
133.10144	12.4
135.11697	2.6
137.09631	2.8
139.11159	1.5
140.01015	1.2
141.05428	1.7
145.10143	3.5
147.04424	1.6
147.11722	4.4
149.09575	1.3
149.13275	2.4
151.11218	4.3
153.06863	0.9
153.09094	4.6
155.08521	1.0
157.10121	2.1
159.11639	4.3
161.09608	2.0
161.13278	3.0
163.11147	2.0
165.06944	1.0
165.12770	1.1
169.10104	2.4
171.11714	1.6
173.13283	3.7
174.99191	1.9
175.11198	1.7
175.14807	3.4
176.98953	1.8
177.12743	5.9
178.07883	1.2
179.08487	2.2
179.10794	1.4
180.71524	0.9
181.06572	1.8
182.07332	1.3
183.08139	1.0
183.11714	1.7
189.12730	1.4
189.16380	2.6
191.14278	1.7
193.12263	2.2
197.05998	1.1
197.09740	1.0
197.11728	2.2
199.14774	1.6
207.08067	2.4
207.13818	1.6
207.17480	1.5
209.06433	1.6
209.15424	2.5
210.06747	3.0
217.15854	4.3
225.05574	1.6
225.09142	4.7
235.07533	4.0
235.16870	8.1
237.05684	1.3
238.06313	1.1
253.05077	2.6
253.08568	20.2
253.11351	1.3
253.12219	0.9
253.14078	5.2
253.17842	17.9
254.08455	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	253.1432
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03927	3.0
55.01629	1.0
55.01871	9.2
55.05502	8.9
57.03419	4.5
57.07058	3.3
64.18056	1.0
65.03938	1.4
66.33591	0.9
67.05502	43.4
69.03416	4.2
69.07063	11.2
69.34898	8.7
71.04992	5.8
75.30797	0.9
75.96488	0.9
79.05494	16.0
81.03413	4.9
81.07052	37.7
83.04976	10.0
83.08592	3.7
85.06542	5.9
91.05477	32.7
93.07039	13.9
95.04974	6.5
95.08607	7.5
97.06519	3.8
98.98460	54.6
99.04436	2.4
99.08057	1.7
105.07021	29.8
107.04959	2.0
107.07899	1.4
107.08588	24.0
109.06524	5.1
109.10152	46.6
111.08057	1.7
113.05972	2.5
116.99474	2.2
117.07005	1.9
119.08569	2.7
120.88587	1.0
121.06435	1.1
123.08046	1.3
123.11700	9.1
125.09615	1.3
127.07531	2.4
130.92470	1.0
131.08527	2.0
133.10121	53.1
135.11546	1.2
137.09544	1.1
151.11179	31.6
161.09613	3.0
169.12279	5.9
176.98914	1.2
179.10655	1.9
192.27068	1.2
253.08813	2.0
253.14333	100.0
254.14651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
51.34549	0.6
52.08293	0.8
53.03934	2.4
54.61211	0.7
55.01871	11.5
55.05508	10.1
57.03441	3.8
57.07063	2.1
59.04998	0.9
65.03930	1.4
67.05502	37.3
69.03426	4.0
69.07063	13.1
71.04986	5.5
71.08608	0.9
71.10266	2.1
73.02911	0.6
73.33852	0.6
79.05487	15.8
81.03416	5.7
81.07051	39.7
83.04971	7.5
83.08604	3.3
85.00136	0.7
85.02873	1.3
85.06546	5.9
91.05475	32.1
93.06468	1.3
93.07033	12.0
95.04960	7.0
95.08604	10.2
97.02859	1.3
97.06532	3.7
97.10144	1.7
98.98462	82.8
99.04449	1.9
99.08119	1.1
99.51859	0.7
100.98884	0.9
101.06022	1.1
103.05460	1.0
105.07027	28.3
107.04938	2.3
107.08589	24.4
109.02859	0.8
109.06500	7.3
109.10150	43.2
111.04461	0.9
111.08059	1.8
113.05991	2.9
116.99475	2.6
117.07000	1.8
119.08574	6.1
121.06488	2.4
121.10106	2.6
123.08024	2.0
123.11697	9.5
125.09630	1.0
127.07532	3.0
128.06245	1.0
131.08531	3.2
133.06483	0.9
133.10126	56.0
135.08015	1.3
135.11682	1.0
136.13901	0.7
137.09619	1.7
140.01010	1.2
143.08548	2.1
145.10135	1.3
147.11661	2.3
149.09599	0.9
151.11162	29.2
154.07768	1.0
155.08464	0.9
157.10117	1.9
159.11711	1.9
161.09605	4.2
161.13199	1.8
165.06934	1.6
169.10123	1.6
169.12259	5.1
171.11722	0.8
173.13287	1.2
175.14827	1.3
176.98904	2.1
179.08577	1.5
179.10646	2.2
181.06435	0.8
182.07207	1.0
183.08107	1.0
183.11688	1.6
189.12657	1.2
189.16402	0.9
193.12129	0.8
197.09654	1.0
197.11696	1.7
197.13387	1.2
199.11038	0.7
199.14766	1.3
207.08139	1.3
210.06830	1.6
215.12827	0.9
217.12216	1.2
217.15906	1.8
225.05527	1.6
225.09093	2.3
235.07471	1.1
235.13264	1.0
235.16927	2.5
235.20547	1.0
253.08754	9.8
253.14331	100.0
253.19582	3.1
254.14708	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	253.1434
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03943	3.6
55.01877	7.6
55.05513	11.0
55.30111	1.6
57.03446	2.0
57.07074	2.2
65.03954	1.5
67.05506	18.5
69.03423	6.3
69.07069	10.6
69.37147	2.9
69.37534	12.4
71.04993	10.2
79.05493	27.6
81.03416	2.6
81.07055	59.2
83.04986	8.5
83.08628	4.5
85.02914	3.5
85.06548	5.8
91.05482	19.4
93.07044	55.1
95.04964	14.8
95.08611	21.0
97.06528	20.8
98.98467	61.2
99.04450	9.8
99.08111	1.5
105.07032	34.1
107.04967	8.4
107.08599	28.5
109.06522	33.9
109.10150	7.0
111.04418	2.2
111.08076	4.7
113.05995	4.3
115.05456	1.7
116.98642	1.5
116.99484	1.7
117.07026	4.7
119.08582	21.3
119.14816	1.4
121.06504	100.0
121.10131	5.0
123.04435	5.4
123.08073	8.9
123.11685	4.0
125.06006	5.2
125.09592	2.0
127.07554	13.9
128.06236	3.0
128.98572	1.8
129.07040	7.7
131.08583	6.4
133.06499	5.2
133.10132	13.4
135.04431	7.1
135.08052	17.3
135.11710	2.8
137.05975	5.6
137.09624	1.5
137.13222	1.5
139.07549	19.8
139.08519	2.3
141.05487	3.2
142.03395	1.3
142.07773	4.4
143.07051	2.9
143.08527	9.8
145.06526	2.3
145.10094	10.4
147.08060	5.9
147.11688	35.2
149.09645	2.7
149.13283	1.7
151.03923	3.2
151.07570	2.5
153.06944	1.5
155.08548	2.4
156.09340	3.6
157.06483	3.3
157.08882	2.6
157.10139	17.5
159.08006	1.9
159.11708	2.4
160.08783	1.7
161.09697	3.0
161.13263	13.5
163.14735	2.2
163.80577	1.4
165.06982	4.1
165.12772	9.0
166.07825	4.2
171.08096	2.5
171.11716	17.5
173.09639	4.0
173.13203	2.2
175.11188	21.9
178.07779	2.2
179.07077	1.5
181.06464	2.0
181.10112	7.2
182.07362	2.5
184.08955	1.8
189.12729	24.8
189.16437	1.8
191.05203	2.4
192.09537	1.5
193.06541	2.6
193.10339	2.5
193.12234	17.4
199.11177	33.9
207.13826	12.2
210.06770	3.4
217.12238	87.3
221.05957	2.5
221.09666	3.4
235.13304	50.4
235.16992	5.6
252.59477	2.5
253.08531	9.9
253.12178	6.4
253.14394	22.1
253.17751	6.8
264.53967	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01872	1.0
55.05510	3.1
56.96561	11.1
57.03424	2.5
57.07059	2.0
57.33176	0.6
61.02925	2.3
67.05496	2.7
68.99753	0.6
69.03427	5.8
69.07057	2.4
70.06591	1.1
70.85051	0.6
70.92140	1.5
71.04993	1.4
73.02924	1.7
73.06549	5.2
76.48946	0.8
77.00896	0.6
79.05470	1.6
81.03409	2.8
81.07035	3.1
83.04994	1.0
83.08620	0.9
84.08163	0.7
84.96037	1.5
85.02899	15.9
85.06534	1.2
87.04443	1.0
91.03960	0.6
91.05456	1.9
93.07038	1.3
95.04932	1.3
95.08600	2.6
97.02885	7.3
98.97607	5.9
98.98460	100.0
99.04425	1.9
100.98917	1.5
103.05499	1.1
105.03388	0.8
105.07030	1.1
107.04983	0.9
109.02240	0.6
109.02890	2.6
109.10155	1.0
110.07150	2.2
111.04401	0.8
116.98618	5.3
116.99490	4.6
117.99231	0.6
119.01907	2.7
119.04952	1.2
120.08105	3.6
121.60268	0.5
123.04421	1.0
123.11732	0.7
125.38268	0.7
127.03880	4.7
128.98595	1.9
131.01875	1.6
132.02872	0.6
133.10173	0.7
134.99675	3.1
136.07515	0.7
137.02960	0.9
137.05943	2.4
140.01108	0.8
141.05463	0.8
141.07051	0.8
143.03375	0.9
145.03499	1.2
145.04964	3.0
146.99670	1.2
147.04478	1.5
151.07523	0.8
153.01822	11.1
153.02991	1.0
154.02150	1.0
155.04671	2.7
158.99657	1.4
161.01244	2.0
161.03108	0.7
162.05452	1.0
162.99048	1.0
166.04991	1.1
172.95325	0.6
174.99220	1.9
176.99075	1.5
177.00719	2.8
179.10655	0.8
194.09184	0.7
197.05943	1.6
197.11745	2.3
203.02171	0.9
207.08112	0.9
208.14648	1.0
210.06683	0.9
211.01570	1.4
217.01689	1.0
219.01714	0.9
225.05473	7.6
235.07590	1.4
237.02959	1.4
237.05354	1.2
248.99158	1.8
249.02878	1.4
253.08580	20.7
254.15065	1.1
267.00247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
56.96560	1.4
57.07057	2.5
67.05495	3.0
69.03413	2.0
69.07060	1.9
71.04992	0.8
71.50405	1.0
72.08145	0.7
73.06560	11.0
77.03909	0.6
79.05470	0.6
81.03404	0.9
81.07057	3.4
83.08618	1.0
85.02902	3.2
89.75570	0.6
91.05493	1.2
93.07043	1.3
95.04970	0.8
95.08598	2.3
97.02891	1.9
97.10152	0.9
98.98465	100.0
100.98898	1.2
102.81116	0.7
105.07025	0.8
106.64079	0.6
107.04968	1.0
109.02855	1.7
109.10147	1.4
110.07178	0.8
116.98724	1.1
116.99509	4.9
119.04985	0.6
121.06573	0.9
123.04443	1.1
123.11683	0.8
124.07585	1.1
124.09583	0.6
126.72306	0.7
127.03896	0.9
137.06120	0.8
138.69002	0.6
141.05467	1.4
151.07558	0.9
165.05566	0.7
170.44643	0.6
174.99232	2.2
176.98924	1.3
177.05412	0.8
179.06914	0.7
197.11732	2.1
239.55034	0.7
253.08691	0.9
253.12465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36548	0.4
55.05504	0.4
58.76587	0.4
58.89535	0.4
63.64439	0.4
68.99781	0.7
70.02937	1.1
71.51030	0.5
71.51384	0.5
77.03901	0.5
79.05482	0.6
81.07058	0.7
87.00799	2.2
91.05461	1.6
93.07035	1.5
98.98469	7.0
99.98935	0.5
103.05462	7.7
107.04930	0.6
118.06539	11.0
120.08096	100.0
121.08424	0.5
128.04956	1.1
131.04820	0.5
136.06180	9.4
136.07190	0.5
144.08047	0.5
146.06001	17.6
148.07562	0.5
164.07060	0.6
166.08635	1.6
188.07053	16.3
192.06506	1.1
195.96707	0.5
206.08116	52.3
207.08383	0.8
234.07761	0.8
234.13416	0.7
241.57079	0.4
252.14441	4.6
252.19656	0.7
268.71655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07113	0.7
56.96563	0.9
63.33123	0.8
67.05511	1.8
69.03426	1.5
70.02931	1.1
71.50883	1.5
77.03922	0.8
79.05494	12.6
81.03384	1.0
81.07044	2.4
85.02905	1.6
87.00829	3.6
91.05474	2.9
93.07054	4.6
98.98465	21.9
103.05460	11.0
104.03464	20.5
105.07038	1.0
106.06548	11.9
107.04951	38.1
107.08566	1.4
109.02857	0.9
109.10156	1.4
113.61968	0.8
118.06532	10.4
119.03493	0.8
119.08566	1.0
120.08100	100.0
121.08447	1.0
131.04922	11.7
132.04411	1.2
135.11670	2.5
136.06177	37.6
146.06012	17.0
149.05988	2.7
161.05934	1.1
164.06992	1.2
166.08577	2.9
184.07948	0.8
188.07068	15.5
192.06537	11.7
194.12529	1.5
206.08122	54.7
218.34436	0.8
220.09598	0.8
222.11243	1.0
227.87624	0.8
234.07568	2.0
234.13345	5.5
252.08717	1.1
252.12276	2.8
252.14464	19.1
252.19623	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	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.05511	8.7
57.07087	5.7
67.05502	12.7
69.03429	1.2
69.07061	9.9
69.18237	8.4
69.18665	3.8
71.04980	1.1
71.08617	1.7
79.05472	5.1
80.11295	0.9
81.06604	1.5
81.07053	21.4
83.04967	1.6
83.08604	6.4
84.48351	1.0
85.06531	1.6
91.05475	7.0
93.07043	15.3
95.04964	2.2
95.08603	43.1
97.06508	4.5
97.10154	2.0
98.21511	2.7
98.98464	37.0
105.07030	13.3
107.08582	19.1
109.06477	2.6
109.09392	1.4
109.10149	24.7
111.08075	8.6
113.09586	1.4
117.06998	3.5
119.08575	24.0
121.10136	23.8
123.08044	4.5
123.11690	10.5
125.09634	16.0
130.07816	1.0
131.08560	9.7
133.10123	100.0
134.10512	1.5
135.08026	1.4
135.11688	9.6
137.09613	3.8
137.13269	1.6
139.11186	1.8
144.09306	1.7
145.10106	12.9
147.11676	20.1
149.09558	1.5
149.13260	5.5
151.11195	5.6
153.12793	1.6
157.10156	2.2
158.10878	2.1
159.11687	47.0
160.12453	1.6
161.13254	5.8
163.11162	3.3
163.14818	3.7
165.12791	1.5
171.06660	1.0
172.12390	2.2
173.13255	30.9
175.14851	3.6
177.12723	2.6
179.14323	2.8
187.14810	21.1
189.16382	23.2
191.17981	6.0
203.17972	1.5
215.17934	48.0
233.18990	17.0
251.20049	72.9
252.20341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	3alpha-Hydroxyfuroepaltol
Peak:m/z	Relative Intensity
50.62069	0.9
53.03923	1.3
55.01854	1.8
55.05501	5.4
57.03418	1.0
57.07059	2.2
59.04984	1.6
61.70417	0.8
65.03901	0.9
67.05504	9.8
68.99788	2.8
69.03413	2.8
69.07067	6.7
71.04970	3.3
71.50986	1.5
73.06526	1.0
74.98270	0.8
79.05488	7.4
81.07056	13.4
83.04967	3.2
83.08611	1.8
85.02887	3.4
85.06501	2.3
87.04458	1.0
91.05465	9.2
93.07028	14.0
95.04962	5.2
95.08598	10.3
97.06518	2.7
97.10144	1.6
98.98460	100.0
99.04421	1.8
103.05462	1.3
105.07030	8.8
107.04955	1.8
107.08591	12.3
109.02838	2.7
109.06499	6.4
109.09465	1.4
109.10149	14.5
111.04433	2.0
111.08073	2.4
111.15566	0.8
113.05961	1.1
115.05423	1.3
116.99486	3.5
117.07039	4.0
119.08577	7.5
121.06498	7.9
121.09486	0.9
121.10152	9.0
123.04389	1.6
123.08057	5.1
123.11726	5.1
125.06051	1.6
125.09595	2.1
129.06979	2.2
131.04991	1.0
131.08560	8.9
133.06490	1.2
133.10094	6.7
135.08043	17.4
135.11646	4.0
137.05981	4.0
137.09596	2.0
139.07518	1.5
139.11131	1.0
143.08530	2.9
145.02867	1.5
145.06458	1.6
145.10110	12.7
147.08005	4.4
147.11714	5.2
149.06021	1.4
149.09628	8.7
149.13260	1.5
151.07533	3.9
151.11142	1.8
157.10112	1.9
159.08040	5.4
159.11670	4.5
161.05952	1.1
161.09592	2.3
161.13228	1.7
163.07500	1.8
163.11182	3.3
163.14847	1.1
165.06992	0.9
165.09137	1.3
167.10680	1.4
169.10091	1.2
171.11639	1.5
173.05981	1.1
173.09674	4.1
173.13228	4.2
174.99234	4.2
175.11162	1.8
177.05429	1.8
177.09068	4.9
177.12711	1.0
187.11137	2.6
187.14841	5.1
189.12746	1.2
191.10617	2.0
191.14265	6.2
197.13301	1.4
203.14297	1.4
205.12163	1.2
205.15805	4.5
215.10779	1.2
215.14362	3.9
219.42854	0.7
233.08109	1.6
233.11789	1.6
233.15376	11.9
233.18947	1.2
251.06998	2.5
251.09177	2.0
251.16377	76.3
252.16705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01869	8.3
55.05489	2.2
56.96566	31.2
57.03439	23.0
58.17439	1.6
58.99858	2.5
59.05006	12.8
61.02925	61.4
62.03247	2.0
69.03430	50.0
69.82934	7.8
70.03748	6.7
70.98096	3.9
71.04993	6.4
73.02916	33.8
74.03254	2.3
77.00903	2.2
81.03414	21.5
82.01434	3.6
82.03747	4.1
83.01334	3.7
84.96032	3.2
85.02905	100.0
86.03233	5.2
87.04472	13.9
91.02330	4.4
91.03974	9.0
97.02332	3.2
97.02888	59.6
98.03211	8.3
98.97590	27.7
98.98463	42.0
99.04469	10.4
100.02476	13.5
100.99148	2.5
101.00838	9.3
101.02432	2.4
101.53545	2.4
103.00607	3.3
103.02412	3.4
103.04001	2.2
103.34651	1.8
108.04202	2.1
109.02859	12.5
109.99137	2.0
110.01249	2.8
110.03215	2.3
110.97596	4.6
111.02931	2.3
112.02792	2.0
112.99136	5.0
113.00879	2.2
113.02409	2.8
114.02440	2.4
115.00674	5.2
115.02438	6.2
115.03937	2.2
116.03187	2.3
116.03925	2.8
116.98630	13.1
116.99326	2.0
117.02055	3.1
117.03971	4.8
118.01035	2.0
118.02825	4.5
118.03508	4.2
119.00184	2.2
119.01861	17.5
119.03696	5.1
120.02023	5.5
121.01669	8.4
124.02805	1.9
125.04466	3.1
126.98707	2.0
127.03928	24.2
128.02319	5.3
128.04265	2.2
128.98615	8.7
129.03969	2.9
131.00204	2.8
131.01886	7.4
131.03644	2.6
131.04521	3.7
131.54613	4.7
132.00763	4.1
132.02011	4.0
132.03410	3.9
132.53505	1.8
133.01709	17.4
133.03429	17.0
134.03595	4.7
134.99684	2.5
135.01335	1.8
135.03200	7.4
135.05022	6.6
136.05115	5.6
137.04771	5.1
139.03323	2.7
140.04977	11.8
140.55052	17.9
141.01309	3.3
141.03079	22.3
141.04791	13.5
143.00194	4.4
143.01884	5.5
144.02005	3.0
144.99876	8.5
145.01689	8.6
145.03491	9.5
145.04916	13.7
146.03772	2.0
146.05240	3.3
146.99638	6.6
147.03159	3.3
147.05054	7.8
148.02100	3.8
148.03864	69.6
148.04785	2.5
148.54044	5.3
149.01207	4.4
149.55653	3.3
150.01752	4.9
150.03647	9.3
151.02763	8.0
151.06267	1.9
152.04996	5.2
153.54039	2.8
154.03894	13.0
154.05682	2.7
155.01875	2.7
156.01976	3.2
157.02560	5.8
157.04428	28.6
157.54572	3.3
158.99661	5.5
159.05029	13.8
159.54669	6.9
160.05125	6.1
161.01221	4.2
161.02914	10.1
161.05629	31.5
161.55661	6.8
162.03133	4.1
163.00911	2.1
163.01459	2.2
163.02774	15.2
163.04422	38.8
163.54587	3.2
165.00722	2.4
165.06116	2.6
168.01505	4.4
170.06247	20.0
170.56171	3.9
170.99646	4.0
171.05025	5.9
172.05229	6.2
172.99272	11.6
173.02946	5.2
173.04832	5.6
174.03178	4.8
174.06805	2.6
174.54755	6.0
174.99068	4.1
175.02763	6.6
175.04474	8.9
177.00665	5.3
177.02448	4.3
177.04164	9.0
177.06107	8.2
178.04926	4.7
178.06319	3.6
178.55089	3.3
179.05917	2.9
181.03818	5.1
182.03419	6.9
182.56134	3.3
184.03143	3.0
184.04926	4.9
185.02971	4.2
185.04755	2.1
186.03046	2.4
187.00876	2.4
187.02808	3.2
189.02316	2.7
189.06049	7.2
190.03104	4.8
190.06226	5.8
191.00333	8.0
191.02162	5.3
191.03934	4.3
191.05867	5.1
192.04700	1.9
195.07120	5.1
196.00923	36.7
198.04678	3.4
200.04449	2.2
201.00728	3.7
201.06090	5.0
202.06306	2.5
203.04015	3.1
203.05779	3.4
203.07655	2.3
203.56682	4.0
204.04413	2.6
204.55728	3.2
205.00217	2.4
205.01987	4.2
205.03801	6.7
205.07425	2.2
205.10887	3.0
211.05388	3.1
212.02626	2.3
212.04427	14.0
212.57211	9.1
213.03348	2.5
213.05214	3.5
213.07108	3.3
214.01918	13.5
219.01701	12.4
219.07156	16.8
220.06018	6.1
221.05005	8.4
222.05319	8.7
223.04866	6.8
228.03502	14.8
231.07103	5.0
233.10365	4.3
235.06621	4.3
237.02834	11.7
242.05479	9.5
246.05029	4.6
247.04926	3.3
251.04434	4.3
251.07819	7.7
251.11526	4.5
261.08234	8.6
262.08331	11.5
263.08218	5.4
269.05542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.19126	0.7
53.38475	1.0
55.05507	12.3
57.03445	1.0
57.07066	2.6
67.05503	7.1
69.07066	8.4
69.35273	5.6
69.35701	2.2
79.05487	5.0
81.07058	8.3
83.05004	1.3
83.08627	4.9
87.74875	0.8
91.05480	6.0
93.07038	10.0
95.04910	1.4
95.08604	19.0
97.10134	3.1
105.07022	15.1
107.07903	0.9
107.08592	15.3
109.06509	1.6
109.10151	11.6
111.08075	1.4
119.08577	24.3
121.10135	11.0
123.08051	1.2
123.11674	2.6
125.05968	1.2
125.09634	2.5
131.08551	2.9
133.10121	29.2
135.08018	1.6
135.11705	5.8
139.07532	1.0
143.08565	1.7
145.10118	3.2
147.08046	1.3
147.11676	21.6
149.09523	0.9
149.13211	2.6
151.11151	1.0
153.09094	5.6
157.10118	1.2
159.11650	1.9
161.09622	2.4
161.13243	10.8
163.14748	1.3
165.09108	1.6
167.10681	7.2
171.11559	0.8
174.14024	1.8
175.11166	1.6
175.14795	2.4
179.10631	2.4
181.12196	0.9
189.12740	0.9
189.16382	1.7
193.12286	1.9
195.14819	0.9
196.66086	0.8
203.17958	100.0
204.18445	1.5
205.19525	4.4
221.19066	6.5
231.13818	1.2
231.17381	3.7
249.11229	1.5
249.14819	2.7
249.18491	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03939	1.3
54.39003	0.6
55.05508	3.6
57.07067	1.3
67.05503	6.3
69.03417	1.0
69.07056	7.8
69.47429	5.4
69.56742	0.7
79.05486	5.7
81.03427	0.7
81.07052	9.5
83.04951	1.0
83.08601	1.4
91.05479	13.9
93.07036	9.1
95.04947	2.5
95.08601	9.4
98.21512	1.3
98.96577	0.7
105.07031	21.3
107.08601	9.5
109.06502	1.9
109.10146	5.0
115.05491	1.0
117.07018	2.0
119.08583	14.5
120.08882	0.7
121.06496	2.0
121.10139	4.2
123.08075	1.1
123.11686	1.3
125.06008	0.8
131.08546	2.8
133.06422	1.5
133.10124	30.4
135.04352	0.9
135.08026	1.9
135.11652	1.6
137.09595	1.1
143.08519	2.1
145.10101	3.4
147.08057	2.4
147.11681	12.6
149.13269	0.8
151.07637	0.7
157.10124	2.9
159.11589	1.2
161.09633	6.2
161.13231	2.8
162.60608	0.7
163.07523	0.9
167.10725	0.8
173.09555	0.9
175.11229	3.5
175.14807	2.0
179.10663	1.0
185.13345	0.8
185.95250	0.6
189.12785	0.8
189.16377	16.1
191.10660	2.9
193.12267	1.6
199.14792	1.7
203.14285	1.4
203.18027	1.6
206.12947	0.7
207.13713	1.0
217.15863	17.7
220.84639	0.8
231.13689	1.6
244.64282	0.7
249.14885	3.2
249.18495	100.0
250.18851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	1.4
55.05505	11.6
57.03429	2.3
57.07064	3.4
65.03925	1.0
67.05501	13.1
69.07066	14.1
71.51083	1.4
73.66840	0.8
79.05489	9.0
81.07053	20.4
81.85223	0.9
83.04970	1.7
83.08608	6.6
85.06549	1.8
91.05467	8.0
93.07039	15.9
93.14386	0.9
95.04951	1.5
95.08605	20.8
97.06499	1.2
97.10178	2.3
100.97098	0.9
105.07018	16.9
107.04938	1.1
107.08596	23.4
109.06499	4.2
109.10145	13.4
111.08085	6.7
113.06039	1.4
115.05415	1.0
117.06987	2.5
119.04905	4.4
119.08571	24.2
119.39496	0.9
121.06472	1.8
121.10145	15.5
123.08041	3.8
123.11670	5.5
125.06007	1.8
125.09614	4.0
128.06279	1.8
129.06976	1.6
131.08568	2.9
133.10130	18.1
135.08017	2.3
135.11693	9.1
137.05951	1.4
137.09587	4.0
138.03067	2.3
139.07494	3.1
139.11159	1.2
142.07755	1.5
143.08533	3.6
145.10132	7.0
147.04390	3.4
147.08080	1.8
147.11694	17.4
149.09607	3.4
149.13249	5.1
151.07491	1.2
151.11107	2.3
153.05469	7.7
153.09120	2.6
153.12666	1.1
157.10109	3.6
159.11653	4.1
161.09631	2.9
161.13264	8.0
163.11166	4.4
163.14807	3.2
165.09138	1.8
165.12723	2.0
167.10683	2.0
171.11697	3.1
173.13254	3.5
175.11159	4.3
175.14792	5.1
177.12769	1.9
177.16406	3.3
179.07072	2.4
179.10651	2.7
181.04677	1.0
181.12259	3.5
185.13275	2.3
187.14828	4.7
189.12817	3.0
189.16339	8.8
191.10634	1.1
191.14275	2.2
193.12297	4.6
201.12700	1.0
201.16389	2.4
203.14415	2.5
203.17950	28.8
205.15897	3.2
205.19496	2.7
207.13638	1.3
213.16380	3.2
221.18999	3.8
231.10132	1.9
231.13882	1.4
231.17427	20.6
249.11322	2.2
249.14720	3.4
249.18492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
54.11848	1.3
55.05507	12.9
57.07061	4.5
59.94968	1.1
60.98243	1.3
67.05499	16.7
69.03393	1.2
69.07060	14.2
69.76398	3.5
69.76807	4.0
71.04986	3.7
77.03901	1.2
79.05482	12.3
81.03407	1.3
81.07055	25.0
83.08631	11.3
85.06535	4.0
91.05482	12.4
93.07043	40.4
95.04935	3.1
95.08607	35.9
97.06522	7.0
97.10157	5.9
98.20829	2.6
98.23486	1.2
105.07028	40.6
107.04949	2.5
107.08591	33.6
109.06512	3.2
109.10159	35.5
111.08118	1.7
111.11713	2.1
117.07051	2.0
119.08580	55.1
121.06471	5.1
121.10136	18.7
123.08057	4.3
123.11693	5.3
125.05899	1.7
127.07520	1.6
129.06976	2.4
131.08549	4.0
133.06534	2.1
133.10130	42.4
135.08006	1.8
135.11688	28.0
137.09596	3.5
139.07532	24.9
139.91237	1.4
142.07722	1.5
143.08595	1.9
145.10081	7.4
147.08038	1.9
147.11687	32.7
149.09612	1.4
151.11140	1.5
153.09102	8.1
155.10674	2.2
157.10130	2.0
159.11652	2.9
161.09660	3.3
161.13220	7.3
163.11188	1.6
165.09117	3.9
167.10667	2.7
171.11681	2.0
173.13303	3.1
175.11229	3.6
175.14819	30.4
179.10606	6.7
185.13315	1.9
187.14786	8.7
189.12752	3.8
189.16380	100.0
190.16714	2.6
193.12225	6.7
193.15808	2.0
203.18005	8.9
207.13783	3.5
213.16403	2.2
221.15271	2.3
231.13808	4.0
231.17419	17.3
249.14580	6.9
249.18506	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.01862	0.7
55.05504	11.3
57.07044	2.8
57.07294	0.7
58.41782	0.7
59.50747	0.7
62.34158	0.6
65.64115	0.8
67.05495	5.8
69.03390	0.7
69.07066	6.2
70.97488	0.9
70.97845	1.4
79.05477	4.5
81.07052	7.9
83.08613	4.4
91.05473	6.9
93.07038	9.7
95.04942	0.9
95.08595	15.7
97.06520	0.9
97.10171	3.8
102.31892	0.7
105.07026	13.9
107.08588	16.0
109.06535	1.6
109.10154	12.0
111.08089	1.3
114.84013	0.7
117.06976	1.0
119.08575	25.0
121.06481	1.4
121.10144	10.1
121.10968	1.3
123.08041	1.6
123.11678	2.4
125.05923	1.0
129.06975	0.9
131.08527	2.6
133.06450	1.1
133.09128	1.6
133.10121	27.8
135.07997	1.3
135.11691	5.6
137.05972	1.5
137.09586	1.4
139.07539	1.3
143.08557	1.6
145.10127	2.5
147.11685	21.6
148.02071	0.7
149.09628	1.2
149.13231	2.7
151.07472	0.9
153.09071	6.2
157.10049	0.8
159.11676	3.3
161.09602	2.2
161.13255	11.0
163.14822	1.5
165.09109	1.8
167.10678	6.0
171.11697	1.0
174.14090	1.7
175.11172	1.3
175.14783	4.3
179.10649	2.5
187.14857	0.9
189.16431	1.5
193.10515	1.0
193.12222	5.0
203.17957	100.0
204.18254	1.2
205.19566	4.7
213.16360	2.2
221.19003	5.3
231.13820	1.7
231.17427	5.1
249.14720	2.5
249.18513	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	249.1484
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03944	1.4
55.01847	1.6
55.05497	4.3
57.07059	3.2
58.82835	1.0
59.04959	1.3
65.03928	2.6
67.01864	7.0
67.05506	19.1
69.03427	12.8
69.07066	5.9
71.04994	2.4
71.51090	2.3
74.71923	1.0
79.05488	8.2
81.07045	12.4
83.04984	8.5
83.08619	2.9
85.06538	3.0
91.05478	26.0
92.05000	1.1
93.07037	14.5
95.04958	21.9
95.08602	10.1
97.06518	2.9
98.97570	2.6
99.08123	1.0
101.88425	1.0
103.05461	2.6
105.07023	12.6
107.04924	2.1
107.08589	11.0
109.02905	5.6
109.06528	6.8
109.10162	5.8
111.04449	6.1
111.08061	3.3
113.06013	1.2
115.05434	3.7
115.87357	1.1
116.06244	3.8
117.07025	6.8
119.04930	3.1
119.07719	1.9
119.08572	38.9
121.06503	5.5
121.10143	6.9
122.07272	1.6
123.08062	3.2
123.27703	1.1
128.06187	3.0
128.08846	1.0
129.06999	11.0
131.08556	8.9
132.05721	1.7
133.06473	4.0
133.10143	9.3
135.04471	1.2
135.08046	7.5
135.11716	1.7
137.05933	2.7
137.09584	8.4
141.07047	1.9
142.07680	1.2
143.08537	3.6
144.05701	2.3
145.06473	2.8
145.10136	6.7
147.04337	2.6
147.08037	100.0
147.11662	4.6
148.08368	1.2
149.09613	5.4
156.09346	2.0
157.06407	2.1
157.10144	2.0
159.08029	6.0
159.11705	2.3
161.05945	2.5
161.09586	8.1
161.13272	7.3
163.11235	1.5
165.05508	1.5
165.09077	1.4
168.72758	1.0
170.07254	1.9
170.10866	2.0
171.08057	2.9
171.11652	5.0
173.13249	1.6
175.07571	15.8
175.11298	1.5
175.14813	3.2
180.09286	1.1
185.13283	4.4
187.07556	3.3
187.11211	2.1
189.05400	1.1
189.09061	5.2
189.12730	10.4
189.16389	2.6
193.08479	1.7
201.05348	1.3
203.06989	1.5
203.14349	7.0
204.07782	2.9
205.08545	1.3
213.12767	8.0
216.07761	1.2
231.10223	2.0
231.13803	21.6
231.17339	2.0
249.07506	2.3
249.11200	22.9
249.14857	17.4
249.18533	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	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
50.88185	0.5
67.05495	0.9
68.19057	0.6
69.03406	1.7
69.46117	4.2
79.05472	1.3
81.03413	0.7
81.07043	1.2
88.75653	0.6
91.04975	0.8
91.05474	8.0
93.07031	1.0
95.04968	0.9
95.08599	0.7
97.02887	1.0
103.05421	1.5
104.21738	0.5
105.07018	3.9
107.04944	2.3
107.08583	0.9
111.89002	0.6
115.05441	5.4
116.06245	2.9
117.07001	3.6
118.07812	1.0
119.08582	1.2
121.06480	0.8
127.05383	0.7
128.06210	8.6
129.07001	19.8
130.07756	0.7
131.04910	2.6
131.08559	17.1
132.05672	1.2
133.06453	3.3
133.10115	2.1
135.11658	0.8
141.06989	10.8
142.07791	4.0
143.04857	1.5
143.08553	3.7
144.05698	10.4
145.06488	7.4
145.10045	0.7
146.07268	3.9
147.04424	1.5
147.08020	1.2
147.11670	0.6
152.06250	0.9
153.06943	2.3
155.05983	1.6
156.05653	2.2
157.06476	8.6
158.07260	2.8
159.04434	0.9
159.08046	27.6
160.05275	1.2
161.05988	2.8
161.09605	7.3
167.07021	0.9
169.06439	2.0
169.07634	2.0
170.07271	8.6
171.04434	1.2
171.08035	5.7
172.05156	3.6
173.05994	4.7
174.06747	1.8
175.07541	3.9
177.05383	0.7
178.06267	0.9
181.06410	0.7
184.05170	0.8
186.06856	0.9
187.07529	19.2
188.08282	1.5
189.05502	3.4
189.09097	8.2
190.06216	1.6
191.07001	1.5
193.08611	0.9
198.06711	1.4
199.07574	2.4
201.05466	1.5
201.09081	0.8
203.07043	6.9
204.07791	12.1
205.08575	1.9
206.09373	1.4
216.07733	3.4
217.08607	0.9
218.09370	1.3
219.10178	1.8
221.08072	0.8
221.11717	3.2
231.10158	8.2
231.13791	1.5
249.11203	100.0
250.11574	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	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03945	0.8
55.01871	0.7
55.05503	0.9
57.03433	0.9
57.07063	0.5
58.99513	0.3
62.13578	0.3
65.46997	0.3
67.05496	1.1
67.05872	0.3
69.03153	0.2
69.03436	2.5
69.07070	0.8
70.76080	1.1
79.05482	2.5
81.03409	3.7
81.07040	1.1
83.05001	0.4
85.02876	0.7
85.06538	0.6
91.05476	8.6
93.07041	1.2
95.04958	1.1
95.08591	1.0
97.02869	1.4
98.97549	0.4
99.04431	0.6
103.05480	1.7
104.06213	0.4
105.03397	3.7
105.07041	4.1
107.04969	2.4
107.08590	1.0
109.02894	1.9
109.06503	0.5
109.10181	0.4
111.04403	1.1
112.49266	0.3
115.05449	5.1
116.06242	3.7
117.07009	4.0
119.04909	0.7
119.08554	1.4
121.06495	0.9
121.10152	0.5
123.04428	0.7
123.08102	0.4
124.03941	0.7
127.03909	1.0
128.06213	10.0
129.07002	19.6
130.07768	1.1
131.04886	2.8
131.08563	17.4
131.09415	0.3
132.05699	1.2
133.06493	4.1
133.10139	1.7
135.04390	0.8
135.08038	0.5
135.11754	0.4
137.05951	0.4
139.03873	0.4
139.05399	0.4
141.06989	9.3
142.07788	3.9
143.04893	1.3
143.05989	0.4
143.08554	4.4
144.05696	9.2
145.06482	6.7
145.10092	1.1
146.07275	3.0
147.04367	2.0
147.07991	1.3
147.11641	0.8
149.05922	0.3
149.09631	0.6
152.06194	1.2
153.05815	0.3
153.06982	2.3
155.04884	0.7
155.06050	1.8
156.05647	1.8
157.05238	0.7
157.06488	9.9
157.07767	0.7
157.10172	0.6
158.07297	2.3
159.04437	0.6
159.08047	26.9
160.05173	1.1
160.08665	0.6
161.05988	4.5
161.09608	8.5
161.13254	0.6
163.03889	0.6
165.09103	0.4
167.03412	0.3
167.04961	0.6
167.06956	0.9
169.06424	1.3
169.07620	3.0
170.07260	8.4
171.04411	2.1
171.08049	6.2
172.05185	3.1
173.05978	4.3
173.09644	0.8
174.06783	3.3
175.03915	0.5
175.07596	3.6
177.05455	1.2
178.06230	1.3
181.06209	0.5
184.05202	1.0
185.05995	1.3
185.13219	0.6
186.06812	0.8
187.07535	19.4
188.04723	0.5
188.08252	1.2
189.05453	6.4
189.09093	8.7
189.12700	0.7
190.06200	1.3
190.09799	0.4
191.07085	1.7
191.10640	0.5
191.36766	0.4
192.07823	0.6
193.08659	0.9
198.06760	2.0
199.07503	2.4
201.05435	1.2
203.07031	7.3
203.14320	0.5
204.07820	12.5
205.05043	0.4
205.08611	2.0
206.09340	1.1
207.13745	0.5
209.55423	0.4
216.07857	3.8
217.04865	0.4
217.08560	0.9
218.09343	1.5
219.10191	1.8
221.08096	1.3
221.11693	3.3
231.06644	0.5
231.10136	6.3
231.13811	1.6
234.08995	0.9
249.07607	3.5
249.11206	100.0
250.11530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01530	10.5
58.32180	10.1
61.79626	10.1
65.52269	10.1
71.03747	11.6
71.04086	20.0
86.39519	9.5
90.27341	11.6
94.92988	15.2
97.60100	8.9
101.00896	11.4
119.01925	28.1
161.02991	15.9
164.53529	11.8
164.76614	10.2
177.16594	9.8
249.03793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
58.99858	1.0
70.12840	1.6
70.99860	0.9
77.00910	0.8
82.99827	2.5
86.99333	0.5
95.01920	0.4
101.00879	35.8
102.00990	0.6
103.02443	1.6
103.53998	0.4
105.00378	0.6
109.69782	0.4
112.21992	0.3
113.00845	2.4
113.37157	0.4
115.02440	1.4
119.01921	100.0
120.02001	1.7
121.02401	0.5
121.03427	0.6
124.02422	0.8
127.02417	1.6
127.86048	0.3
131.01910	10.6
133.03465	1.0
137.02954	20.2
141.00337	0.6
142.03479	2.8
143.01897	15.3
144.02023	0.4
145.03465	13.3
147.01373	0.9
149.02965	2.4
155.01918	0.7
157.03465	2.3
159.01395	8.9
159.02612	0.7
160.04549	0.7
161.02957	50.7
162.03017	1.2
163.04561	2.4
165.02466	0.6
168.05064	0.5
171.01396	4.6
173.02977	3.8
175.04518	1.1
177.02441	20.1
178.02528	0.5
179.03963	2.0
183.01318	0.6
184.04590	1.7
189.02448	44.9
190.02618	0.8
191.04030	4.1
200.04094	0.9
201.02448	6.0
203.04027	0.6
207.03499	19.2
212.04131	1.8
219.03493	7.1
219.05565	0.6
220.03590	0.5
230.05098	0.9
231.03511	2.5
249.04565	16.8
250.04736	0.4
267.05673	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.01604	0.6
53.03949	0.8
55.05509	8.0
55.33696	0.6
57.07059	1.7
57.12877	0.7
57.51982	0.6
65.03952	0.7
67.05482	4.6
69.07066	5.5
69.84557	3.2
73.96931	0.8
79.05488	4.5
81.07053	5.6
83.08612	3.4
84.54324	0.6
88.06779	0.6
91.05466	11.0
93.06491	1.0
93.07045	13.6
95.04991	1.2
95.08607	12.9
97.10168	1.2
98.20860	1.4
99.04383	0.7
105.07024	19.2
105.07702	1.2
107.08585	16.5
109.06527	1.2
109.10146	4.1
111.08079	1.4
116.06231	0.7
117.07001	4.7
119.08570	31.3
121.10128	6.3
123.08182	0.7
123.11710	1.0
125.05986	0.8
128.06270	0.8
129.07024	1.3
130.07765	1.1
131.08559	24.5
133.10120	45.1
134.10403	0.7
135.08052	1.5
135.11679	1.3
137.06017	0.7
137.13304	1.0
139.07474	1.0
143.08612	1.3
144.09335	1.6
145.06462	1.0
145.10120	31.8
147.04370	1.5
147.11670	6.2
149.05940	1.1
149.09593	2.0
149.13184	0.8
151.07523	1.8
153.09099	1.1
157.10101	2.4
158.10857	1.0
159.08066	3.2
159.11684	25.0
161.05940	0.8
161.09579	1.0
161.13258	5.0
163.07532	4.3
165.09074	2.1
171.11662	1.6
172.12469	1.1
173.09598	3.0
173.13246	12.3
175.03911	7.6
175.07610	0.9
175.11337	0.7
175.14822	2.3
177.09100	25.2
179.10675	2.6
183.11586	0.8
186.14001	1.3
187.11177	2.5
187.14752	2.2
191.10657	4.7
199.14729	0.8
201.16367	100.0
202.16716	1.6
203.17934	6.2
205.12207	1.1
211.14854	1.2
219.17393	3.9
229.08505	1.5
229.15852	10.8
229.19504	1.0
247.06192	1.0
247.09615	1.7
247.16908	28.5
247.20581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.80409	1.1
52.21354	1.2
52.78456	1.2
53.03923	2.1
55.01855	1.5
55.05510	14.3
57.07074	3.5
65.03918	1.8
67.05493	9.0
69.03410	2.4
69.07060	8.9
71.51813	1.6
79.05491	9.7
81.07050	17.3
83.08602	5.4
83.46413	1.2
91.05475	22.6
93.06495	2.0
93.07042	27.0
95.04987	2.2
95.08602	26.8
97.10159	3.1
99.04482	1.6
105.07028	36.8
107.04934	2.0
107.07884	2.3
107.08593	37.1
109.06520	2.9
109.10143	7.7
111.08082	2.1
115.05486	2.2
117.07036	8.9
118.07758	1.9
119.06025	1.3
119.08578	56.3
119.60490	1.2
121.06486	2.0
121.10138	14.4
121.80142	1.4
123.08011	2.0
123.11708	2.0
125.05954	1.3
129.07002	4.3
129.81851	1.2
130.07773	3.8
131.08560	41.0
133.06447	1.4
133.10124	73.3
134.10437	1.4
135.07985	2.8
135.11662	2.1
137.09595	1.8
137.13280	2.0
137.90714	1.4
139.07477	1.6
142.07768	1.6
143.08559	5.3
144.09320	3.7
145.06506	1.7
145.10118	46.5
147.04398	3.8
147.11681	9.0
149.05916	2.6
149.09613	4.8
151.07562	3.8
153.09105	2.5
157.10098	6.6
158.02939	1.3
158.10916	1.9
159.08051	4.0
159.11693	43.7
161.13264	9.3
163.07574	10.4
165.09047	3.5
171.11670	2.5
172.12468	3.5
173.09624	8.0
173.13261	21.5
175.03903	22.9
175.14815	3.0
177.09100	48.4
183.16141	1.4
185.13193	1.6
186.13985	2.0
187.03851	1.8
187.11151	6.3
187.14801	3.4
189.71428	1.5
190.32213	1.5
191.10677	5.7
201.16377	100.0
202.16772	2.0
203.18007	11.2
205.12096	1.9
211.14819	2.1
219.17482	4.7
229.08592	5.6
229.15884	20.5
229.19551	5.3
247.02124	1.7
247.05869	2.5
247.09761	3.4
247.13116	2.1
247.16914	32.6
247.20528	4.6
247.24263	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.01857	5.0
55.05489	5.3
55.05744	1.4
57.07061	2.7
59.04996	1.3
67.05491	6.8
69.03430	1.4
69.07066	7.7
71.04977	3.6
74.90830	1.6
78.47873	1.4
79.05477	5.2
81.07037	11.2
83.04965	3.0
83.08595	3.9
85.06551	2.0
91.05472	12.8
93.07034	16.6
95.04945	4.2
95.08605	14.2
97.06505	1.8
99.04430	1.6
105.07018	33.9
107.04948	1.4
107.08582	16.1
109.06499	4.5
109.10134	7.6
111.08044	1.9
115.05371	1.7
117.07011	8.4
119.08570	23.5
121.06493	6.7
121.10138	12.3
123.08034	9.0
123.11690	2.3
125.05934	1.4
128.06201	3.0
129.06970	3.9
130.07758	3.0
131.04909	2.3
131.08562	22.5
133.06506	3.7
133.10121	22.5
135.08031	5.4
135.11678	8.2
137.09604	4.2
141.06992	1.7
142.07751	2.9
143.08545	10.9
144.09331	4.0
145.06458	3.6
145.10103	35.0
146.07246	2.5
147.04385	2.8
147.07994	4.4
147.11688	25.4
149.09625	8.7
149.13232	3.7
155.08524	4.2
156.09319	1.7
157.10155	9.3
158.10909	2.2
159.08044	12.3
159.11668	34.8
160.12035	1.5
161.09602	73.0
161.13239	5.5
162.10367	2.6
163.11157	30.6
169.10103	6.9
169.30846	1.2
170.10893	3.7
171.11659	5.7
173.09560	6.2
173.13255	9.1
175.03903	11.8
175.11198	6.3
175.14813	5.3
177.09088	2.0
177.12717	2.7
179.14267	1.3
181.10138	2.4
185.13237	9.9
187.11185	6.3
187.14836	7.4
189.12709	2.3
191.10634	1.8
191.17885	2.4
195.61732	1.3
196.12457	4.3
199.14825	1.3
201.12750	1.7
201.16368	41.8
203.14256	7.9
205.12178	4.2
205.15826	3.7
211.14850	9.9
219.17474	7.3
229.08545	2.8
229.15869	28.4
247.16917	100.0
248.07024	1.7
248.17191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.0
55.05512	7.0
55.94204	1.2
57.03421	1.1
57.07064	1.3
67.05507	5.2
69.07061	7.5
69.58468	6.1
73.46951	0.9
75.99088	1.0
79.05488	6.2
81.07061	7.1
83.08620	2.7
91.05485	15.4
93.07035	18.8
95.05019	1.4
95.08007	0.9
95.08609	16.2
97.10177	1.1
99.04439	1.7
99.08069	1.0
105.07027	23.1
107.08597	21.5
109.06474	1.6
109.10177	5.2
111.08064	1.1
115.05400	1.8
117.07029	5.1
119.08581	35.4
121.10143	7.4
123.08085	1.3
123.11694	1.8
129.07031	1.9
130.07780	2.4
130.47719	1.0
131.02472	0.9
131.08554	23.7
133.10127	48.6
135.08038	1.8
135.11751	1.1
137.13214	1.3
139.07571	1.7
139.80072	1.0
143.08556	1.6
144.09335	1.9
145.06393	1.5
145.10110	34.2
147.04367	1.7
147.08057	1.3
147.11667	6.9
149.05948	2.4
149.09631	3.4
151.07524	3.0
153.09050	1.1
157.10110	3.0
158.07156	1.1
158.10884	1.3
159.08051	3.6
159.11684	28.5
160.12042	1.0
161.13243	6.3
163.07544	5.6
165.09126	2.2
171.11707	3.2
172.12425	1.8
173.09599	4.8
173.13255	12.6
175.03893	9.6
175.14864	2.6
177.09106	30.7
179.10658	1.1
183.83113	0.9
186.14073	1.7
187.11169	3.7
187.14851	2.4
191.10678	4.0
201.16373	100.0
202.16695	1.4
203.17966	7.3
211.14943	1.6
219.17450	4.7
229.08646	1.6
229.15862	12.7
247.09744	1.1
247.16919	26.6
247.20750	1.1
266.89551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.02136	1.1
53.03919	1.6
55.05509	11.9
57.07067	2.7
62.24707	1.0
67.05497	8.2
69.07069	6.3
70.65266	2.8
79.05488	6.5
81.07054	9.8
82.23823	1.6
83.08626	4.0
85.06532	1.5
91.05482	16.6
93.07040	22.9
95.04992	2.2
95.08601	17.8
97.10188	2.6
105.07028	32.0
107.08585	25.6
109.06520	2.3
109.10135	7.0
115.05428	1.7
117.07033	7.5
119.08574	49.5
121.06480	1.7
121.10133	11.0
123.08054	2.0
123.11677	2.2
125.06005	1.5
125.09656	1.2
129.07085	1.2
130.07791	1.9
131.04890	1.1
131.08560	31.0
133.10126	59.2
135.04401	1.2
135.08040	3.7
135.11646	1.8
137.13194	1.5
139.07536	3.7
141.83319	1.2
142.07809	1.4
143.08572	3.8
144.09300	2.7
145.06516	2.1
145.10118	42.3
147.11678	11.1
149.06000	1.4
149.09634	3.7
149.13210	2.1
151.07561	3.7
153.09134	1.5
157.10139	3.0
158.10963	2.0
159.08063	4.7
159.11687	33.2
161.13235	9.1
163.07523	11.4
163.11208	1.1
165.09135	3.2
171.11752	2.6
172.12471	2.0
173.09621	4.6
173.13248	16.9
175.03886	6.7
175.07507	1.6
175.14841	3.4
177.09106	40.5
179.10724	1.7
185.13228	2.1
186.14052	2.3
187.11201	4.3
187.14862	3.2
191.10722	5.9
197.78181	1.3
201.16374	100.0
202.16776	2.5
203.17926	9.8
205.12314	2.1
211.14848	1.4
219.17435	3.8
229.08624	2.0
229.15866	16.8
229.19354	1.5
247.06088	1.8
247.13228	1.4
247.16934	27.9
247.20760	2.2
247.81175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.41840	0.7
55.05518	8.4
55.30766	0.8
57.07061	2.2
67.05505	6.4
69.07065	6.0
70.66965	1.9
70.67340	1.6
79.05487	6.0
81.07068	6.6
83.08611	3.5
91.05480	13.2
93.07047	16.8
95.04996	1.0
95.08601	12.2
97.10123	1.6
98.20901	0.9
99.04465	1.0
99.64776	0.7
105.07032	23.6
107.08593	22.0
109.06484	1.6
109.10144	4.0
116.06223	1.8
117.07010	5.6
119.08586	34.4
121.06456	1.1
121.10128	8.5
123.08038	0.9
123.11660	1.1
125.06022	1.4
125.09645	1.1
127.41515	0.9
129.06964	1.8
130.07791	1.8
131.08566	29.8
133.10133	49.4
135.08064	3.0
135.11676	1.3
139.07530	1.2
143.08562	2.0
144.09349	1.9
145.10120	33.8
147.11676	8.2
149.05975	1.9
149.09581	2.9
149.13214	1.3
151.07521	2.5
153.09122	1.5
157.10156	4.3
159.08017	3.5
159.11694	27.6
160.12076	1.1
161.13254	5.3
163.07533	7.2
165.09145	2.2
171.11693	2.3
172.12456	1.4
173.09653	4.4
173.13260	11.7
175.03874	7.8
175.14796	2.4
177.09108	29.1
179.10651	1.7
186.14049	2.0
187.11194	3.5
187.14749	2.6
191.10649	4.3
201.16380	100.0
202.16743	1.9
203.17976	5.9
205.12067	0.8
211.14833	1.4
219.17369	2.8
229.15860	12.1
229.19502	1.0
243.57005	0.9
247.09703	1.5
247.16920	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03950	0.5
55.05505	1.4
57.07046	1.1
67.03967	0.6
67.05486	2.2
69.07072	4.2
79.05462	2.2
81.07050	3.3
91.05487	4.6
93.07044	4.2
95.04952	0.8
95.08607	4.7
98.21585	0.9
104.10744	0.6
105.07034	8.6
107.08584	6.4
109.06444	0.5
109.10128	2.1
115.05494	0.6
117.06983	2.3
119.08582	7.0
121.10161	3.2
123.08022	0.6
129.06966	0.6
130.07750	0.9
131.07613	0.8
131.08556	10.5
133.10121	16.7
135.11693	0.6
143.08543	0.8
145.10120	18.6
146.10898	0.8
147.04417	1.7
147.11722	2.8
149.05965	0.6
157.10020	0.7
159.11693	8.5
161.09644	1.1
161.13240	1.8
173.09631	0.8
173.13277	4.6
175.03897	6.5
175.14806	0.8
177.09021	0.7
179.10622	2.9
186.13985	1.7
187.11220	0.8
187.14766	0.6
191.10629	1.5
201.16374	100.0
202.16699	1.9
203.17949	2.1
219.17380	4.7
229.08615	1.1
229.15808	1.4
229.19489	1.1
247.05942	0.9
247.09669	1.3
247.13132	0.8
247.16924	20.6
247.20680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03942	3.5
55.01881	1.9
55.05504	5.8
57.07059	2.1
59.05017	1.8
61.02826	1.4
65.03925	6.3
67.05495	3.5
68.99774	1.6
69.03426	21.5
69.07042	1.7
71.21214	2.2
71.21548	1.9
79.05495	9.7
81.03422	2.6
81.07039	7.4
83.04985	18.8
91.05461	13.8
93.03378	3.5
93.07048	12.9
95.04935	6.2
95.08598	2.2
97.02866	7.3
97.40767	1.9
105.07031	14.3
105.39325	1.6
107.08588	11.5
109.02892	12.1
109.06503	8.1
109.10137	4.1
111.04404	4.6
111.08060	1.6
115.05454	2.7
117.07012	10.4
119.08588	15.4
121.02837	3.3
121.06512	12.5
121.10118	6.9
123.04456	1.5
123.08015	2.8
123.66309	1.5
128.06227	3.0
129.06989	5.9
131.08568	19.2
132.05669	2.6
133.06432	2.0
133.10098	9.2
135.08051	27.9
137.05969	6.7
137.09570	4.6
139.03915	3.3
141.06967	2.3
142.07765	4.4
143.08540	9.9
144.09351	10.5
145.02849	2.1
145.06458	10.5
145.10139	10.2
147.08105	3.7
147.11661	2.4
148.13176	1.7
149.06017	2.0
149.09621	25.8
150.10358	3.4
151.11186	3.7
153.09103	1.8
155.08537	5.3
157.06451	1.9
157.10100	4.1
158.07265	2.6
158.10893	10.8
159.08057	13.9
159.11700	25.8
160.08842	7.7
161.09573	3.7
163.07526	22.9
163.11250	2.0
165.09134	2.4
168.09276	4.6
169.10103	4.6
170.10884	4.8
171.08008	7.0
172.08846	16.3
173.09619	31.8
173.13252	34.0
175.03867	3.8
175.07506	2.1
177.05379	2.4
181.06485	2.2
183.11729	11.2
185.09680	2.1
186.10365	21.5
187.11169	100.0
189.09123	2.5
191.07019	35.8
193.10178	1.8
196.08833	5.7
199.07509	2.3
201.10847	3.0
201.12740	57.4
203.14336	2.8
205.12192	4.9
211.11153	9.9
214.09966	2.0
219.13837	6.0
229.12230	60.6
237.02904	1.8
247.05978	7.2
247.13278	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
51.32522	1.3
53.03933	3.9
55.01859	4.4
55.05495	5.2
57.03425	1.9
57.07053	2.4
58.88769	1.3
61.57631	1.3
65.03938	1.8
67.05500	22.8
69.03421	17.9
69.07060	13.3
69.90910	2.3
69.91305	4.7
79.05487	12.9
81.03403	2.6
81.07057	18.1
83.04968	5.0
83.08617	2.4
85.02902	2.5
85.06546	1.8
91.05482	21.5
93.07036	20.8
95.04966	20.5
95.08607	18.8
97.02885	100.0
97.06530	7.9
99.04452	2.4
103.05448	1.8
104.38140	1.4
105.07018	22.9
107.04919	3.0
107.08584	27.7
108.14359	1.4
109.02874	1.5
109.06525	6.7
109.10155	14.0
111.04431	9.1
111.08062	1.5
115.03889	1.7
115.05433	3.1
116.06235	2.4
117.07011	9.3
119.04892	2.1
119.08573	24.0
121.06506	7.3
121.10125	18.0
123.04398	3.0
123.08044	6.0
125.05990	3.7
128.06245	4.3
129.06992	4.3
131.04912	1.9
131.08540	21.0
132.95831	2.7
133.06462	4.6
133.10068	10.0
135.08038	11.1
135.11667	6.5
136.62540	1.5
137.05983	3.3
137.09602	3.1
139.03879	2.5
139.07545	4.3
141.07013	3.0
142.07742	4.3
143.08582	9.8
144.09309	2.3
145.06445	8.8
145.10098	19.2
147.04375	3.3
147.08020	10.4
147.11690	5.8
149.05966	1.8
149.09613	4.2
149.13164	1.6
151.07538	5.9
151.11217	1.6
153.06966	2.9
155.08513	3.6
156.09387	2.6
157.06439	1.6
157.10092	5.2
158.10930	3.4
159.08023	10.3
159.11676	13.7
161.09628	10.9
161.13246	2.9
163.03899	2.7
163.07518	8.7
163.11172	5.0
163.14848	3.0
168.09312	3.3
169.10153	1.7
171.08022	2.4
171.11681	5.6
173.09590	3.4
173.13239	16.3
175.03920	9.1
175.11192	1.8
177.09082	3.4
179.07074	1.6
183.11626	9.3
185.09613	2.7
186.10327	2.2
187.07515	7.2
187.11143	15.7
187.14835	2.1
189.09125	4.7
189.12701	4.8
191.07037	3.5
191.10670	1.5
191.14297	3.2
201.05510	1.9
201.12733	20.6
201.16322	4.6
203.10564	3.8
203.17957	2.2
205.08557	3.0
205.12262	7.8
211.11122	5.0
219.13780	6.4
229.08667	3.0
229.12221	25.8
229.15901	3.9
247.05962	3.8
247.09453	2.9
247.13281	84.1
247.16827	7.6
247.20471	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	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91208	1.0
66.07402	1.0
69.86124	1.0
70.71275	1.0
70.71602	2.3
71.89964	0.8
74.25268	1.0
79.51585	0.9
101.00864	1.3
119.01920	3.0
131.78830	1.1
167.03165	1.2
176.12801	1.0
187.00795	1.2
187.02496	1.3
215.00385	2.1
229.03185	31.2
247.04268	100.0
248.04691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.06
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
53.03946	0.5
53.95486	0.3
55.01863	1.2
55.05506	0.9
56.96548	0.4
57.03426	0.9
57.07066	0.5
57.21502	0.4
65.03945	2.2
67.01858	1.6
67.05492	1.9
68.99792	2.6
69.03433	4.1
69.07073	0.6
70.53030	0.3
71.01370	0.5
71.04980	0.5
71.50612	0.5
72.37843	0.3
79.05479	2.0
81.03410	0.5
81.07057	1.7
83.01325	0.5
83.04984	2.8
85.02898	1.0
85.06545	0.6
91.05479	3.5
93.07051	2.3
95.04970	3.9
95.08610	1.7
97.02878	2.2
97.06532	1.2
101.12125	0.4
103.05473	0.9
105.07028	5.3
107.04993	0.4
107.08611	2.1
109.02896	0.6
109.06519	2.3
109.10176	0.8
111.00787	0.7
111.04451	2.7
115.05400	0.9
117.07021	1.3
119.04888	0.6
119.08562	3.6
121.02863	59.6
121.03907	2.2
121.06454	1.8
121.10140	0.8
123.04434	0.9
123.08073	2.5
124.07587	1.4
125.02402	0.4
125.07895	2.0
126.82864	0.4
128.06230	0.8
129.06975	1.3
130.06580	0.4
130.07739	0.4
131.08557	3.0
133.06471	0.9
133.10101	1.5
135.04399	0.6
135.08025	1.6
135.11714	0.5
137.02258	0.4
137.05933	0.5
141.06995	0.8
142.07761	1.3
143.08548	2.1
144.09341	0.6
145.06490	2.0
145.10106	2.9
146.05968	0.4
147.04404	1.3
147.07979	1.8
147.11691	0.9
149.05933	0.6
149.09624	1.0
150.96860	0.6
151.07617	0.4
153.01823	100.0
154.02116	1.0
155.04895	1.0
155.08585	0.8
156.08098	0.7
156.09312	0.9
157.06567	0.5
157.10138	2.6
158.07285	0.8
158.10846	0.4
159.04457	0.7
159.08058	2.4
159.11693	1.9
160.07607	0.4
160.08812	0.7
161.06013	0.4
161.09618	1.6
163.03886	1.3
163.07532	0.5
165.09096	2.1
171.02907	1.1
171.08028	0.5
171.11661	1.1
172.08827	0.9
173.02307	0.6
173.05949	0.8
173.09608	1.2
173.13216	1.8
175.03920	6.7
175.11157	1.5
181.06468	0.6
183.04344	0.5
183.11710	1.7
186.10318	0.9
187.03850	0.8
187.07539	0.5
187.11111	1.7
189.09061	2.1
189.12703	0.6
191.03462	0.8
196.08797	0.8
199.11174	2.6
201.05458	2.1
201.09198	0.5
201.12711	3.0
203.10645	1.0
205.04903	0.8
205.12140	0.6
211.11131	1.5
217.12222	2.0
219.02895	1.2
219.06250	0.7
219.13785	0.7
229.04930	1.5
229.08626	1.7
229.12241	2.8
247.02484	2.6
247.06006	53.7
247.09966	1.7
247.13301	7.6
248.06335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.07080	3.9
65.37637	1.6
67.05499	12.0
69.07060	20.7
71.08611	1.4
71.51082	1.9
71.61305	1.4
79.05472	6.0
81.07055	35.0
83.08607	7.4
90.57172	1.7
91.05479	4.8
93.07050	13.6
95.08605	44.3
97.10151	5.1
105.07031	12.6
107.08588	40.4
109.07657	1.6
109.10152	23.6
111.11692	3.8
119.08572	20.1
121.10140	29.1
123.11708	21.2
133.10136	15.2
135.11676	23.4
137.13255	20.6
147.11664	6.8
149.13268	13.8
151.09784	1.6
151.14833	2.3
161.13264	10.3
163.14810	6.5
175.14827	27.5
177.16307	1.6
189.16382	16.0
201.27072	1.7
203.17879	2.0
228.12364	1.6
245.11415	2.1
245.15134	4.8
245.22639	100.0
246.22987	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47021	5.5
72.08149	3.5
84.04517	1.0
84.08131	1.0
85.02930	0.9
86.09715	1.7
97.02895	0.9
98.20868	1.5
101.00867	3.9
103.00636	2.9
103.02398	0.8
109.02885	1.2
115.02475	1.0
118.08674	1.2
119.01912	8.3
120.01993	0.7
121.01660	5.0
130.12289	1.1
131.01901	1.2
133.03484	1.2
133.06519	0.7
137.03021	0.9
139.02805	0.7
143.01897	1.2
145.01605	0.8
145.03461	2.3
147.03165	0.9
155.01958	1.2
157.01691	1.4
157.03548	1.0
159.03236	1.0
159.05084	1.3
160.07671	1.0
161.02948	2.1
163.02711	1.3
165.04318	0.7
167.03185	0.9
173.03023	1.7
175.02808	1.8
175.04529	1.5
187.00981	1.0
187.02646	4.9
188.07120	1.4
199.02713	1.5
201.02437	0.7
205.03731	1.6
215.00359	3.0
217.01912	1.5
221.05206	0.8
229.03209	24.5
229.05437	1.7
230.08153	1.5
247.04265	100.0
247.07895	33.3
248.04689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.19
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
53.03933	2.6
55.05506	7.6
57.07062	2.5
66.16522	1.1
67.05502	17.7
69.07066	8.5
69.49805	6.8
74.75878	1.1
79.05495	10.4
81.07058	20.0
83.08607	3.5
85.06548	1.7
91.05480	17.1
93.07043	22.9
95.04966	1.3
95.08604	62.4
97.10168	2.5
97.30710	1.0
102.20650	1.0
105.07033	26.1
107.08594	18.9
109.10154	16.0
111.08103	11.1
113.09634	3.6
115.05453	1.4
117.07002	6.6
119.08587	23.5
121.10149	20.0
123.08041	2.7
123.11720	2.6
125.09639	1.9
128.06221	2.7
129.07016	8.6
131.08551	11.9
133.10132	40.4
135.08038	1.7
135.11665	8.2
137.09604	4.9
142.07782	3.3
143.08571	14.4
145.06503	1.1
145.10117	24.0
147.11682	16.5
149.09587	5.9
149.13275	3.1
151.11127	1.5
156.09372	2.7
157.10149	14.9
159.11678	13.3
161.09697	1.1
161.13255	29.1
162.10385	3.2
163.11195	3.5
163.14799	1.4
169.10130	7.1
170.10884	1.2
171.11687	18.1
172.12479	1.2
173.13301	7.1
175.11220	7.1
175.14836	3.7
183.11748	5.0
184.12399	5.0
185.13234	18.7
187.14821	21.1
189.12802	1.3
189.16385	7.3
197.13164	2.0
198.14038	2.6
199.14781	13.5
201.16388	4.0
203.17937	2.3
209.03560	1.2
212.15588	1.8
214.17149	1.3
215.17943	3.8
217.15932	3.6
217.19504	27.1
218.11476	1.1
227.17934	100.0
228.18208	2.0
245.04341	1.2
245.19005	82.9
245.22630	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.6
56.75515	2.1
57.07073	3.0
57.90557	2.4
58.04756	2.1
61.61894	2.6
65.32269	2.3
67.05507	17.7
69.07051	20.7
70.42912	5.0
70.43280	5.0
79.05483	12.1
81.07056	34.4
83.08598	7.8
89.83267	2.6
91.05474	9.7
93.07044	30.8
95.08606	43.8
105.07013	17.9
107.08590	35.8
109.10156	27.3
119.08591	22.5
121.10140	35.5
123.11710	21.4
133.00497	2.8
133.10129	18.3
135.11688	17.6
137.13232	8.8
145.10103	3.9
147.11685	14.7
149.13258	69.4
161.13228	11.6
163.14815	10.1
175.14830	33.6
176.81075	2.3
189.16399	18.0
203.17834	4.2
227.17998	2.5
245.18938	4.9
245.22636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1898
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
52.60309	0.9
55.05506	8.2
56.92662	0.9
57.03417	1.5
63.57455	1.0
66.90405	0.9
67.05497	11.8
69.07058	5.9
69.56892	4.9
69.57307	1.5
79.05492	8.2
80.61460	0.9
81.07054	16.3
81.31137	0.9
83.08610	3.7
83.55741	0.8
83.56216	1.1
85.06525	2.2
91.05467	13.2
93.07042	17.6
95.04950	1.4
95.08603	53.5
97.06519	1.1
97.10143	1.5
99.08082	1.5
105.07019	23.9
107.08582	20.2
109.10142	14.7
111.08060	10.5
113.09612	3.0
117.06958	4.8
119.08575	23.5
121.10130	18.1
123.08051	1.9
123.11691	3.4
128.06215	2.3
129.06990	8.6
130.07808	1.2
131.08568	14.2
133.10126	38.2
135.08014	2.5
135.11679	5.0
137.09625	4.0
142.07744	3.4
143.08557	13.7
145.10110	24.1
147.11671	12.8
149.09653	5.4
149.13313	1.3
155.08546	1.4
156.09329	3.5
157.10114	12.9
159.11678	13.7
161.09691	1.1
161.13248	24.8
162.10339	2.0
163.11209	4.6
169.10104	7.4
171.11681	19.9
173.13268	7.7
175.11143	6.0
175.14792	2.2
183.11734	6.0
184.12440	6.2
185.13266	19.8
186.13846	1.0
187.14804	19.1
189.12788	1.7
189.16382	8.0
197.13301	2.1
197.59560	1.0
198.14075	1.7
199.14795	13.2
201.16385	3.1
203.17924	1.3
212.15591	3.4
215.17978	5.7
217.16092	5.8
217.19496	23.9
227.17929	100.0
228.18260	2.5
242.04857	0.9
245.18994	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.0
57.03438	1.3
58.99864	2.6
61.02925	1.2
68.98294	2.3
69.03439	2.9
70.06585	0.6
70.98139	0.6
70.99853	2.8
71.05235	1.4
71.67827	0.6
72.08161	0.8
73.02917	0.6
77.00920	3.0
81.03419	2.8
82.99804	3.5
85.02900	2.8
86.99345	2.3
87.00002	0.6
89.00910	2.3
97.01394	0.6
97.02873	3.7
98.97594	3.4
100.11240	0.8
101.00875	45.1
102.00966	1.8
103.02454	1.9
105.00372	1.7
109.02882	2.5
110.97578	0.6
113.00862	5.1
115.02425	3.8
116.98658	2.8
118.01106	0.6
119.01917	100.0
120.02074	2.2
127.02410	3.2
127.03914	0.7
129.03951	3.2
131.01906	22.9
133.01622	0.6
133.03461	4.5
134.99683	1.9
137.00833	2.5
137.02940	14.2
139.02364	2.7
142.03461	4.0
142.96552	1.4
143.01901	16.1
144.02750	1.0
145.03458	25.6
146.03685	0.6
147.01376	2.8
147.03117	0.8
147.05011	2.0
149.02969	2.2
153.03804	1.0
154.54878	1.7
155.01886	27.7
156.02647	1.2
157.03465	20.3
158.03755	0.8
161.02953	30.4
162.03134	1.5
163.04498	4.8
163.55450	1.4
167.01895	12.5
168.05077	1.3
169.03419	3.6
171.05029	6.9
173.02963	36.3
174.03177	2.3
175.04549	8.8
175.05997	1.1
176.04431	0.6
177.02460	0.7
179.01888	7.0
179.03493	0.7
179.03995	0.6
181.03514	1.0
184.04553	1.9
185.02950	81.5
186.03110	2.3
187.04529	7.5
188.97055	2.4
189.06085	1.0
191.03995	2.5
193.00186	0.8
196.04559	1.9
197.02943	29.8
198.02943	0.8
199.04433	1.4
202.98680	0.8
203.02255	0.8
203.04004	22.7
205.05573	0.9
206.05707	0.6
206.98111	1.8
208.04567	3.5
209.02934	1.0
213.05913	1.1
215.04015	8.9
217.05557	1.0
220.04517	0.9
221.05048	12.6
222.05324	1.8
226.05524	1.3
227.03940	4.5
233.05003	0.7
240.06444	1.0
244.06801	0.5
245.05025	40.5
245.11554	1.6
246.05162	1.2
263.03345	0.8
263.06079	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	244.2059
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
53.03954	1.0
55.05490	2.0
56.04978	0.7
57.07062	2.1
58.06607	3.2
62.06054	0.8
67.05502	3.6
68.05412	0.6
69.07069	4.6
69.09926	0.7
71.51888	0.8
79.05482	3.4
81.07050	10.0
81.73330	0.8
83.08616	1.4
91.05476	7.9
93.07035	5.4
94.06563	7.0
95.08604	6.0
96.08126	1.1
98.21146	1.0
105.07021	13.6
107.08604	5.6
108.08113	14.9
108.08790	0.6
109.10151	3.7
115.05402	0.7
117.06991	3.3
119.08564	8.7
120.08099	0.9
121.10128	4.0
122.09614	1.9
123.11678	1.9
128.06219	2.2
129.06995	5.2
131.08557	21.9
132.08905	0.7
133.10110	5.0
134.09631	1.3
135.11638	0.9
136.11177	0.6
142.07785	1.2
143.08556	7.2
144.09323	0.8
145.10114	11.0
146.09616	1.9
147.11678	7.2
148.11206	1.5
157.10114	3.1
159.11659	2.0
160.11156	3.4
161.13266	1.2
163.14746	0.9
169.10143	0.8
171.11673	3.4
173.13290	3.8
174.12625	0.8
184.12497	1.1
185.13190	2.7
186.12807	0.8
187.14804	5.5
188.15033	0.6
199.14833	1.3
201.15001	1.0
202.15753	0.9
203.17944	3.0
226.21634	0.9
227.17912	6.1
244.20595	100.0
245.20868	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	243.1589
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.66109	1.5
53.03956	2.0
55.01855	2.7
55.05506	10.6
55.84113	1.3
57.03430	11.4
57.07058	1.9
59.04980	1.8
61.02911	1.8
65.03900	2.1
67.05495	11.4
69.03440	8.3
69.07050	4.3
70.67095	3.3
71.04989	25.0
73.02924	1.9
73.06528	4.5
79.05490	10.6
81.03422	3.9
81.07054	17.4
83.04501	2.8
83.04972	36.7
83.08598	2.6
85.02889	3.5
85.06509	6.1
86.09712	2.0
91.05484	13.4
93.06495	2.0
93.07037	24.0
95.04964	46.5
95.08581	17.0
97.06526	14.9
97.10149	3.1
98.97559	2.5
99.04456	21.8
99.08060	5.5
101.04249	2.4
101.05984	2.6
105.07034	25.8
107.07883	2.8
107.08583	42.8
109.02859	2.5
109.06507	12.5
109.10151	22.4
111.04395	2.3
111.08067	4.8
111.83023	1.4
115.05449	2.2
116.98557	1.6
117.06982	4.5
119.04928	6.4
119.08570	33.9
121.06447	3.3
121.10129	21.4
123.04511	1.6
123.08052	11.2
123.11743	7.7
125.09618	13.2
125.31504	1.6
127.07546	3.3
129.06958	2.4
131.08598	10.7
133.02858	1.9
133.04601	1.4
133.10141	12.4
135.08073	9.5
135.11676	7.7
137.05946	6.6
137.09616	15.0
137.13249	1.8
139.11133	4.7
140.04669	7.8
141.09116	1.7
143.08505	3.4
143.10674	3.0
144.09348	3.8
145.06447	2.8
145.10098	8.7
147.04379	4.4
147.07985	1.6
147.11676	13.7
149.09625	17.6
149.13266	3.7
151.07471	3.0
151.11163	4.8
153.01782	2.7
153.09082	9.4
155.07040	6.9
155.10652	3.8
156.04167	4.4
156.09256	1.7
159.11679	21.0
161.09589	1.8
161.13254	7.9
163.11194	9.9
165.05527	3.4
165.09113	2.7
165.12746	8.7
167.10660	10.9
169.05034	2.7
169.06422	3.5
169.12215	2.6
171.06471	5.1
171.10225	1.6
171.11652	4.2
172.04231	2.1
175.03896	10.3
177.12762	16.8
179.07101	3.3
179.14285	6.2
181.04919	9.9
181.12221	4.3
182.02036	2.3
187.07497	3.0
189.12718	9.7
193.04863	3.6
195.13737	4.2
197.04385	6.9
197.05994	9.7
197.08124	4.9
197.12984	1.7
201.05466	1.6
207.06583	4.5
207.13771	19.6
213.14970	1.8
215.07037	3.6
222.08456	2.0
225.05495	2.3
225.07498	3.1
225.14835	32.8
233.76361	1.7
243.02844	1.6
243.06609	9.7
243.15895	100.0
244.16277	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	243.159
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.01043	1.5
53.03953	2.4
54.99844	1.5
55.01868	3.2
55.05508	14.1
56.94693	1.7
57.03438	8.5
57.07059	3.5
59.04994	2.9
61.02929	3.2
61.41113	1.8
65.03925	2.4
67.05504	12.6
69.03431	9.5
69.07066	10.5
69.73291	9.5
71.04990	25.9
71.14462	1.8
72.27561	1.7
73.06525	5.4
77.03934	2.0
79.05492	13.2
81.03410	6.1
81.07056	19.6
83.04976	45.9
83.08601	4.5
85.02910	2.8
85.06537	6.6
86.09708	2.3
87.04452	3.0
91.05476	22.3
93.07046	30.3
95.04964	43.0
95.08603	21.3
97.06532	12.7
97.10149	5.1
99.04453	19.9
99.08082	7.3
101.05991	2.6
103.05460	2.2
105.07041	29.1
107.04945	3.3
107.08591	34.4
107.42833	1.7
109.02850	4.1
109.06524	17.0
109.10143	19.6
111.08078	4.8
113.06011	3.1
115.05465	3.2
115.07559	3.6
117.07009	5.1
119.04951	8.3
119.08585	35.3
121.02897	3.0
121.06484	3.6
121.10149	29.0
123.04391	3.6
123.08092	10.0
123.11703	7.9
124.07483	1.8
125.05981	2.9
125.09618	10.3
127.03910	1.7
127.07534	4.4
128.06229	4.0
129.06956	4.8
131.08575	11.1
133.10136	11.5
135.08060	9.1
135.11716	8.3
135.12604	1.8
137.05980	2.5
137.09595	16.9
139.11172	12.5
140.04663	7.6
141.06958	7.9
143.08568	3.6
143.10658	4.7
144.09389	3.1
145.06480	10.6
145.10141	10.5
147.04359	6.0
147.08017	3.4
147.11711	17.4
148.60820	1.8
149.02333	6.6
149.09605	17.2
149.13281	3.5
151.11153	5.1
153.06996	2.9
153.09067	6.7
155.06985	5.2
155.08493	2.9
155.10652	4.1
159.08029	3.4
159.11679	21.9
161.13248	9.6
161.50470	1.8
163.11160	7.7
165.05426	2.8
165.12759	7.8
167.10628	13.2
169.05170	2.0
169.06499	7.2
171.11621	5.4
172.64174	2.0
173.06027	9.5
177.12764	15.5
179.06996	2.2
179.14333	5.2
181.04965	7.4
181.12285	2.4
183.08057	2.2
184.05154	8.5
185.05931	2.5
187.07527	5.4
189.12695	11.1
193.04999	2.8
195.13826	4.7
197.05972	40.5
200.04703	2.0
201.05476	3.1
207.13786	16.2
208.91881	2.1
213.14951	3.5
215.07060	18.6
225.05450	8.9
225.07518	4.2
225.12914	3.2
225.14844	24.0
236.18649	1.7
243.06522	26.7
243.10393	6.6
243.13861	6.8
243.15919	100.0
243.21089	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	243.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79261	1.6
53.03933	3.6
55.01855	3.3
55.05511	13.5
57.03437	13.5
57.07065	2.9
60.07789	1.4
61.02911	2.1
62.26717	1.6
65.03937	1.7
67.05514	14.4
69.03432	8.9
69.07050	5.7
69.78967	7.8
71.04993	27.6
72.08147	1.9
73.02902	2.3
73.06538	4.7
76.17583	1.5
79.05493	11.5
81.03397	4.6
81.07053	18.1
83.04506	2.3
83.04979	40.6
83.08595	4.9
85.02902	4.0
85.06546	5.4
86.09690	3.0
89.10012	1.5
91.05477	18.2
93.07043	31.6
95.04379	3.1
95.04968	52.2
95.08611	20.8
96.52619	1.5
97.06532	13.1
97.10169	3.9
98.97565	5.4
99.04454	20.7
99.08091	6.2
105.03382	2.1
105.07027	28.4
107.04951	2.5
107.08592	45.0
109.06510	14.3
109.10155	22.1
111.04447	2.1
111.08075	6.7
115.05424	2.2
115.07530	4.8
116.98593	2.0
117.07024	5.8
119.04933	6.1
119.08579	33.4
121.06515	3.5
121.10150	26.6
123.08076	11.8
123.11741	8.0
125.09617	13.6
127.07533	1.7
129.06935	3.1
131.08568	9.4
133.10121	14.9
135.08080	9.6
135.11656	8.1
137.05974	3.6
137.09612	19.4
139.03853	2.4
139.11217	2.7
139.26761	1.6
140.04689	10.1
141.05441	2.2
141.06992	2.3
143.08546	2.2
143.10654	4.4
144.09303	3.9
145.06487	2.7
145.10078	6.9
147.04433	2.9
147.08040	2.1
147.11702	14.2
149.09615	17.6
149.13297	1.8
151.07564	2.1
151.11220	3.5
153.09056	10.6
155.07008	6.9
155.10646	4.8
156.04167	4.1
156.09329	2.7
158.99701	2.1
159.08104	1.7
159.11710	21.2
161.13261	7.5
163.11156	8.7
165.05415	3.5
165.12717	5.5
167.10658	10.4
169.04970	3.8
171.06487	5.5
171.07886	1.6
171.11671	4.5
172.04178	2.7
173.05931	2.8
175.03894	10.2
177.00694	1.7
177.12752	14.6
179.07066	2.2
179.14285	5.9
181.05017	8.0
181.12227	3.4
183.06470	1.9
184.05112	1.9
189.12749	12.8
193.04932	3.9
195.06532	2.3
195.13771	5.4
197.04420	6.8
197.05989	11.6
197.07635	2.4
201.05101	1.6
207.06473	4.4
207.13786	21.5
213.14877	3.0
215.06961	4.2
225.07417	3.8
225.14844	28.5
231.08974	1.6
243.06445	6.6
243.08546	2.8
243.15907	100.0
244.16455	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	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.3
53.03936	2.1
55.01861	4.1
57.74469	1.1
61.02923	11.6
65.03933	8.7
67.05479	3.9
68.06106	1.1
68.99789	1.5
69.03403	3.0
69.86152	6.4
73.02931	1.2
79.05480	5.1
81.03377	1.3
81.07048	5.0
82.04195	2.6
83.04963	1.7
84.44656	1.3
85.02884	4.5
91.05476	18.3
93.03416	1.7
94.04173	1.4
95.01306	4.5
95.04959	16.0
97.02858	1.3
97.06516	1.8
98.97601	1.4
105.03370	2.7
105.07018	1.8
107.04945	8.2
107.08573	2.4
108.02110	2.7
109.06509	16.4
109.10144	1.8
110.03655	3.4
111.04435	2.6
115.05455	1.4
119.04918	10.5
121.06458	1.3
122.03644	2.0
123.04412	15.9
125.02320	6.6
125.05981	3.1
129.24370	1.1
133.02850	12.3
135.04402	3.5
137.05971	23.6
138.03122	1.4
139.03915	1.6
140.04671	100.0
141.01855	1.2
141.06932	2.7
142.02563	2.3
145.06464	2.7
146.03641	1.6
147.04419	7.4
151.07474	1.5
152.04749	1.0
153.01852	1.4
153.05420	3.6
155.07016	85.9
156.04141	3.5
159.08006	1.2
163.03906	3.2
165.01724	1.7
165.05460	20.7
165.06743	0.9
167.07019	1.8
169.06461	1.6
171.06552	7.4
173.05954	3.4
173.08058	8.7
175.05173	1.7
179.06992	10.5
180.04129	18.6
181.04948	76.7
183.06520	4.9
184.03748	1.5
184.05153	5.9
187.07515	2.1
193.04955	28.1
195.06532	14.2
197.04344	2.9
197.05977	16.7
197.08072	9.4
199.07411	1.1
201.05417	1.1
207.06526	27.7
215.07028	4.4
225.05531	1.8
225.07559	20.9
243.06442	9.1
243.08635	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.95538	0.8
53.03938	2.9
55.01858	2.1
61.02932	9.0
65.03938	7.7
67.05495	3.4
69.03414	1.9
69.20959	9.5
77.86645	0.7
79.05478	5.5
81.03421	1.1
81.07053	4.5
82.04203	1.7
85.02898	4.8
91.05484	16.7
93.03390	2.2
94.04164	2.2
95.04962	15.3
97.02856	1.5
97.06535	3.0
98.97581	1.1
103.05443	1.0
105.03374	2.9
107.04945	8.8
107.08607	0.8
108.02089	1.2
109.06512	13.5
110.03638	3.3
111.04436	2.5
119.04936	6.9
121.02829	1.1
121.06475	1.1
122.03583	1.0
123.04436	13.4
125.02357	8.2
125.05984	2.2
129.03346	0.9
133.02829	9.2
135.04417	3.8
137.05968	19.6
138.03119	2.0
140.04675	100.0
142.02625	1.7
147.04376	6.6
152.04706	2.8
153.05470	3.2
153.75504	0.8
155.07025	80.3
163.03883	2.8
164.04692	0.8
165.05482	17.3
167.07037	1.4
169.06494	1.0
171.06520	5.7
173.08076	6.9
179.07056	9.2
180.04155	15.8
180.49693	0.8
181.04950	65.8
183.06517	2.8
184.03694	1.9
184.05200	2.0
184.33563	0.9
193.04950	26.2
195.06541	11.8
197.05995	4.8
197.08092	8.5
207.06514	25.3
215.07054	1.7
225.07562	19.5
228.73370	0.9
243.06503	1.7
243.08627	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02367	1.8
53.03948	5.0
55.01875	4.2
55.05502	2.6
56.76686	1.7
56.96564	11.0
57.03428	4.1
61.02928	15.1
65.03945	10.0
67.05492	5.9
69.03418	7.5
69.07066	13.3
69.52310	13.5
70.06586	2.5
71.01379	1.9
71.04994	1.6
72.08142	2.6
73.02905	4.8
76.86314	1.7
79.05477	7.7
79.24185	1.9
79.49165	1.6
81.03413	3.8
81.07051	8.4
82.04192	2.6
83.04967	3.8
84.04485	8.3
84.08167	3.4
85.02911	11.6
86.09698	6.9
91.05481	20.4
93.03426	2.0
93.07058	3.5
94.04174	5.2
95.04961	20.2
95.08611	4.6
97.02893	7.4
97.06525	5.8
97.07716	1.8
98.97582	17.6
99.04475	2.1
105.03391	3.9
107.04973	11.3
108.46432	1.7
109.02864	3.8
109.06526	14.1
109.07645	1.8
110.03676	5.7
110.97575	1.9
111.04432	5.0
111.05540	2.4
115.05498	2.2
116.98655	8.8
119.01836	2.1
119.04945	8.4
121.06470	3.2
123.04436	22.4
125.02338	6.7
125.05996	3.0
127.03912	2.7
128.02338	3.2
128.98569	4.4
130.04974	2.4
131.08601	2.5
132.10193	3.0
133.02832	10.8
134.05925	2.2
134.99652	5.4
135.04422	8.3
135.08113	1.9
137.05983	21.7
138.03130	2.4
139.03825	2.8
140.04677	100.0
142.02580	3.6
145.06523	3.1
146.99536	2.5
147.03374	2.0
147.04382	8.7
147.07666	2.0
152.04675	2.0
153.04822	3.3
153.06615	2.1
154.01956	5.2
154.03728	2.2
155.02701	4.8
155.04822	4.5
155.07030	84.2
156.07254	3.0
158.99646	4.3
161.01294	2.5
162.05458	17.7
163.03931	3.6
165.05475	19.9
165.06741	3.1
167.07098	1.8
169.04883	2.0
169.06404	2.1
169.93147	2.1
170.99600	2.1
171.06331	7.1
173.05905	2.2
173.08121	7.9
173.13260	2.2
173.56277	4.3
177.00720	4.7
179.07014	9.8
180.01170	3.0
180.04153	19.5
181.04948	71.5
183.06598	3.0
184.03677	2.6
193.04953	25.8
195.06573	13.1
197.03839	19.1
197.05962	5.6
197.08014	9.7
197.09753	2.4
198.02219	2.0
201.00798	2.1
207.02167	2.2
207.06499	28.4
215.07027	5.1
219.01863	2.2
225.05513	3.2
225.07489	19.6
226.10771	2.3
234.07541	5.9
237.02690	2.6
243.04573	19.2
243.06587	4.3
243.08122	11.6
243.13663	4.4
243.17393	2.9
243.21049	4.3
244.02632	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	243.0652
Annotation	4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid
Peak:m/z	Relative Intensity
55.01858	3.4
55.05510	3.0
55.53851	1.1
67.05499	4.2
68.99785	2.2
69.03423	2.6
69.07063	9.3
70.67448	2.4
79.05483	3.9
79.35616	1.0
81.03403	1.9
81.07078	6.0
82.62708	1.2
83.04970	1.2
83.08610	1.8
83.12507	1.2
91.05461	6.4
93.07036	5.9
94.67299	1.1
95.08604	5.2
97.02863	1.4
100.94682	1.2
103.05458	1.5
105.03369	1.9
105.07025	5.1
107.04949	1.6
107.08585	3.7
109.02879	2.2
109.06479	1.4
109.10124	2.0
115.05450	7.7
115.66840	1.2
117.07033	7.0
119.01931	1.7
119.08603	5.8
121.02889	1.8
121.10129	3.5
123.04450	1.2
123.11741	1.4
129.06978	3.0
131.04933	4.0
131.08566	7.4
133.06499	2.0
133.10149	3.8
135.11737	1.5
140.04677	2.0
141.06982	31.6
143.04892	1.1
143.08566	3.2
144.05782	3.5
145.06483	17.6
145.10129	5.3
147.04436	3.2
147.11736	3.2
149.02333	8.3
149.13252	1.9
152.06189	7.2
153.06992	4.9
155.04910	2.9
155.06009	2.4
155.07106	1.5
155.08545	1.7
157.10146	1.9
158.10876	1.6
159.08047	9.7
159.11710	4.7
160.05179	3.7
160.06381	1.2
161.02925	1.3
168.05765	2.8
169.06477	33.8
169.07809	2.1
169.10106	1.6
170.06963	1.1
171.04413	3.8
171.11620	1.5
172.05170	1.7
173.04482	2.2
173.05984	44.4
173.09578	1.2
173.13344	3.1
175.03903	11.4
177.62271	1.1
181.05000	1.3
181.06563	2.8
183.04518	1.8
183.11719	2.5
185.02977	2.5
185.09653	1.4
187.03969	1.4
187.07518	23.8
187.14864	3.1
196.03543	1.2
196.05273	1.8
197.05975	98.4
198.06570	2.2
199.03944	2.3
200.04710	14.2
201.05464	19.1
203.03973	1.7
211.06046	2.3
214.06226	13.1
215.03902	1.7
215.07022	44.2
215.10338	1.8
215.14301	1.2
216.07368	1.8
225.05458	100.0
225.16534	1.5
226.05887	4.7
228.07552	2.2
243.06543	72.6
243.10228	9.3
243.13771	6.9
243.17548	6.6
243.21027	12.0
244.06996	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	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.6
57.91405	0.3
69.88283	0.7
69.88696	1.2
79.19617	0.3
82.99839	0.3
86.24694	0.3
91.08696	0.3
95.01283	0.4
97.02908	0.3
98.21442	0.4
98.97575	2.6
101.00884	4.0
105.02171	0.4
110.54421	0.3
111.05553	0.6
116.98611	1.9
117.98991	0.3
119.01923	14.9
131.01875	0.7
133.03491	0.4
134.99800	1.7
137.02951	4.1
139.00903	0.3
142.03493	0.5
143.01863	0.3
145.03426	0.9
153.00891	0.5
157.03514	0.8
158.99860	1.7
161.02902	0.5
166.01369	0.3
171.01306	0.3
175.03003	0.4
175.04433	0.3
177.00957	26.3
178.01138	1.1
179.00806	0.3
182.99893	0.9
187.04480	0.5
193.03984	0.3
195.01979	0.7
196.02316	0.4
196.94560	0.4
197.00578	0.4
198.00223	0.5
200.02525	0.8
201.00954	1.8
201.02489	0.7
205.00340	0.4
210.00334	0.3
214.95639	1.7
215.01726	0.3
217.02296	0.4
217.04111	3.5
219.01999	31.7
220.02168	3.2
220.04337	0.5
221.01866	1.2
222.02043	0.4
222.52266	0.4
225.00810	2.8
232.96628	1.5
237.97200	0.8
238.03316	0.5
242.03633	0.7
243.01984	7.6
243.05621	0.6
261.03058	100.0
262.03214	3.3
263.03442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01868	6.0
55.05493	3.3
57.03425	3.0
57.07055	1.2
57.88301	1.1
59.05005	5.3
61.02921	12.0
62.81162	1.0
65.03935	2.4
67.05505	2.1
68.99781	2.5
69.03428	11.4
69.07040	5.0
71.04974	4.5
71.12880	1.7
79.05481	5.2
81.03398	2.5
81.07062	8.6
83.04977	8.0
83.08601	1.6
85.02879	2.3
85.06513	2.3
87.04461	9.1
91.05474	8.5
93.07045	6.6
95.04955	4.6
95.08604	9.4
97.02863	1.3
97.06501	4.4
98.97591	1.2
99.04443	2.8
99.08074	1.2
100.13662	1.1
103.05453	1.9
105.05509	1.3
105.07039	9.1
107.04930	1.0
107.08567	10.5
109.02848	4.5
109.06488	4.1
109.10137	5.4
111.04417	3.1
111.08079	3.3
115.05448	8.2
117.06992	5.7
117.69998	1.0
119.04884	3.0
119.08566	5.3
121.02851	2.0
121.10147	24.5
123.04402	2.0
123.08051	10.5
123.11676	3.7
125.05978	1.4
125.09602	2.9
126.03106	2.5
128.78806	1.0
131.04903	2.8
131.08553	5.2
133.10094	1.9
135.07961	1.1
135.11668	1.8
137.05928	1.9
137.09593	3.0
137.13251	1.3
139.11166	48.4
140.04665	7.7
141.05466	7.8
141.06984	32.9
141.07953	0.7
141.09082	3.7
144.05687	3.9
145.06470	17.2
145.10097	3.2
147.04385	6.3
147.11688	6.4
149.02333	7.8
149.09602	7.1
151.07512	1.6
151.11220	1.2
152.06190	5.6
153.06960	4.9
155.04893	1.6
155.05963	1.8
155.07048	4.3
155.08478	1.9
159.04387	1.4
159.08035	7.3
159.11650	1.6
160.05154	3.0
163.11147	2.5
165.05481	1.9
165.12752	3.8
167.10677	3.1
168.05609	2.6
169.04939	13.6
169.06459	35.0
169.07843	2.3
169.08694	1.9
169.10004	1.6
169.12260	1.6
171.04393	5.2
171.07965	1.4
171.11577	1.2
173.05978	44.3
175.03876	17.1
180.04146	1.7
181.04941	6.1
181.12152	2.2
183.11644	1.4
185.21388	1.1
187.03813	1.9
187.07533	24.5
189.12691	2.5
193.05035	1.6
196.05136	1.3
197.05969	100.0
198.06664	2.2
199.03812	3.0
200.04654	14.9
201.05432	20.6
207.13802	5.1
213.05779	1.0
214.06271	9.7
215.07011	63.7
225.05455	88.3
225.14812	5.3
226.06062	2.9
226.08330	1.2
243.06482	67.4
243.10268	2.1
243.13602	2.1
243.15742	7.5
243.20966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03941	0.3
55.01868	0.5
55.05506	1.1
56.05029	0.2
56.15556	0.2
56.96563	3.0
57.03428	0.8
57.07061	0.3
58.06597	18.9
59.04995	0.4
61.02907	0.8
61.39370	0.2
66.28465	0.2
67.05498	0.4
68.05021	0.2
69.03419	1.3
69.07056	0.5
70.06586	3.1
70.76025	0.7
71.04958	0.3
72.08132	0.5
73.02902	0.6
73.06544	0.3
79.05479	0.6
80.62460	0.2
81.03420	1.3
81.07035	0.4
83.04979	0.6
83.08627	0.3
84.04466	0.2
84.08138	10.6
84.96070	0.3
85.02898	1.8
85.06519	0.5
87.04440	0.3
91.05470	0.4
93.03720	0.4
95.01318	0.2
97.02892	1.7
97.99133	0.2
98.06023	0.3
98.09702	1.2
98.97585	3.8
99.04450	0.5
99.97894	0.3
100.11254	0.6
107.04931	0.3
108.08041	0.2
109.02861	0.2
109.06561	0.2
109.10139	0.2
110.97597	0.3
111.04433	0.3
111.08028	0.2
112.99150	0.3
114.05555	0.6
116.07066	0.6
116.10707	0.4
116.98611	2.6
119.01893	1.3
119.02613	0.2
121.10049	0.2
124.03924	0.6
124.07561	0.3
126.05509	0.5
126.09120	0.3
127.03918	0.7
128.02324	0.2
128.10716	3.7
128.98570	0.5
131.01855	0.5
134.06036	1.8
134.99634	1.6
135.04320	0.2
136.07579	0.5
137.05952	0.4
138.05383	0.2
143.00162	0.3
143.01866	0.4
144.10193	1.3
145.01714	0.5
145.03424	0.4
146.99612	0.5
147.05780	0.6
150.05489	0.4
150.09099	0.3
152.07103	2.8
152.10550	0.3
153.01845	0.5
155.01915	0.3
155.04634	0.7
158.08090	0.4
158.99661	0.4
160.06531	0.4
161.01215	0.5
161.02946	0.9
161.04630	0.4
162.05450	0.3
163.02722	0.5
164.05138	0.4
164.07068	6.9
166.55492	0.3
168.10173	1.1
169.04312	0.2
169.09714	0.3
173.01176	0.3
173.02859	0.5
175.02821	0.3
175.04536	0.3
177.00731	0.8
177.04219	0.4
178.05089	0.3
181.09726	0.5
182.03415	0.2
189.00717	0.4
191.03773	0.3
195.08385	0.2
195.11310	0.3
196.09694	7.0
203.04073	0.4
211.04448	0.2
213.15973	0.4
217.00201	0.3
219.01767	0.7
221.05006	0.3
223.10744	0.5
237.02864	0.6
241.15457	100.0
242.10266	1.0
242.15750	1.9
258.99481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.9
56.94304	1.6
56.96562	3.4
57.03431	18.9
58.06583	5.7
61.02903	4.0
66.34012	1.3
69.03424	2.7
70.06545	1.3
71.01340	7.3
71.04974	3.9
71.21957	1.6
71.22313	3.0
72.93781	2.9
73.02918	9.6
83.01336	3.3
84.08147	3.5
85.02892	8.3
87.04454	10.9
89.02380	8.2
90.94800	2.2
97.02898	3.9
99.57512	1.6
100.02452	1.9
101.02370	22.1
103.03925	4.0
105.29414	1.3
110.07133	1.7
111.05502	2.3
113.02361	3.3
113.96404	4.8
115.03921	37.6
119.01884	2.5
122.06016	1.8
124.03931	4.1
124.07606	1.9
127.03872	1.8
128.03377	2.1
129.01830	21.6
131.97418	4.0
133.03465	3.6
133.04927	3.2
134.05989	4.3
141.01729	1.8
143.01840	2.2
143.03362	14.7
144.99799	3.9
145.03503	1.8
145.04950	2.0
147.02844	1.5
150.05476	4.8
150.09119	1.9
152.07025	12.7
152.24947	1.4
153.07454	1.7
157.01320	37.9
157.03409	1.6
158.01767	1.5
158.93767	1.6
159.02953	4.3
159.76321	1.3
161.03065	2.1
161.04420	15.0
161.05548	3.0
171.02899	3.2
172.99287	2.6
175.02348	3.0
178.04910	2.4
178.08641	2.6
187.00778	1.8
189.03931	100.0
191.00293	2.5
196.00960	4.6
196.05992	3.4
196.09674	24.1
197.09937	2.2
207.05049	2.3
207.88742	1.4
214.01967	2.4
219.01817	2.6
227.95795	2.5
228.03508	2.6
242.06638	1.5
242.10202	28.2
242.15758	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0858
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
51.83274	0.2
54.60831	0.2
55.05510	0.6
56.49443	0.2
57.07084	0.3
58.18232	0.2
67.05510	0.5
69.03424	0.5
69.07057	0.7
69.28423	0.2
69.28813	2.0
73.28979	0.2
79.05478	1.1
81.03415	0.2
81.07039	0.9
83.04976	0.3
83.08629	0.3
84.95812	0.2
85.06496	0.3
91.05492	0.6
93.03735	0.5
93.07042	0.9
95.04993	0.2
95.08595	0.8
97.02895	0.4
97.06553	0.2
98.20794	0.4
105.03417	0.3
105.07019	0.4
107.04945	0.4
107.08585	0.4
109.10144	0.5
111.04437	0.3
116.10378	0.2
117.07014	0.3
119.08572	0.5
121.02865	0.6
121.10134	0.7
123.11696	0.2
128.06241	0.4
129.07013	0.7
131.08580	0.5
133.10138	0.3
134.07799	0.2
135.11629	0.3
141.06949	0.5
142.07758	1.0
143.08563	0.6
144.05714	0.3
145.10078	0.6
147.04355	0.4
149.02332	0.7
152.06216	0.7
153.05508	0.3
153.06853	0.3
156.09177	0.2
157.06509	0.6
157.10112	1.0
159.08035	0.3
159.11781	0.3
163.03841	0.3
165.06944	0.8
166.07726	0.2
167.08566	1.5
169.06496	0.8
169.10117	0.2
170.07260	1.0
170.10843	0.4
171.08109	0.4
171.11658	1.0
173.05884	0.2
181.05002	0.3
181.06511	0.8
182.07239	0.5
183.11699	0.3
184.05109	0.3
185.09613	0.7
185.13206	0.7
195.08038	2.4
197.05952	2.0
197.09592	0.3
197.13222	0.3
198.06743	3.3
199.03789	0.2
199.07513	0.3
199.14828	0.5
212.04686	0.3
212.08257	0.3
213.05493	0.6
213.09053	0.9
213.16499	0.2
223.07523	0.9
224.08226	0.3
226.06233	34.5
227.06549	0.8
241.08574	100.0
241.19533	2.6
242.08948	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	241.0858
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
67.88931	0.1
79.05480	0.5
107.04939	0.3
115.05488	0.2
115.84089	0.1
121.02869	0.2
140.60515	0.1
142.07741	0.5
143.08580	0.2
144.05695	0.2
145.10103	0.2
149.02354	0.3
152.06169	0.6
157.06493	0.6
157.10129	0.3
163.03854	0.2
165.07007	0.3
167.08562	0.7
169.06465	0.8
170.07233	0.7
171.08052	0.3
171.11765	0.2
173.05898	0.2
177.06970	0.4
181.06488	0.7
182.07309	0.4
184.05234	0.3
185.09604	0.6
195.08044	2.1
197.05957	1.6
198.06770	2.3
199.07404	0.2
209.05873	0.2
211.07452	0.2
213.09142	0.5
223.07556	0.5
224.08171	0.4
226.06235	31.5
227.06575	0.7
241.08578	100.0
241.19380	0.7
242.08905	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	241.0857
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
53.03938	0.7
55.01861	0.7
55.05494	0.8
57.04042	0.5
64.76434	0.5
65.03930	1.4
67.05492	1.3
69.07056	1.6
69.77556	1.5
69.77977	2.5
71.04978	0.7
75.02663	0.7
79.05487	9.6
81.03396	1.4
81.07040	1.9
83.04953	0.8
85.06552	2.7
91.05463	3.1
92.99179	0.5
93.07039	1.3
95.04975	1.1
95.08594	2.2
98.21426	0.8
107.04951	5.8
109.10145	2.2
115.05430	0.7
117.07034	0.9
119.04879	0.6
121.02870	4.6
121.10124	1.6
123.11675	1.4
128.06215	1.6
129.06996	5.7
131.04915	1.8
135.11682	1.3
141.07022	1.4
142.07785	3.5
143.08556	3.1
144.05698	5.4
145.06480	3.3
145.10176	0.7
147.04378	1.6
149.02336	14.1
152.06206	10.2
153.06970	2.1
155.08574	1.0
157.06494	15.8
157.10081	4.4
159.04343	0.9
160.05214	3.9
163.03905	6.0
164.39172	0.6
165.07002	7.3
166.07727	2.4
167.08556	12.3
169.06458	4.3
170.07256	6.8
171.04446	2.1
171.08003	5.0
171.11691	1.3
173.05977	3.3
175.03891	1.3
176.04700	1.2
176.06155	1.3
177.06955	3.6
178.07764	1.6
179.08475	1.2
181.04991	1.1
181.06451	7.4
181.07941	0.9
182.07231	0.9
183.08066	2.3
184.05215	2.2
185.06068	0.9
185.09616	24.9
185.11278	1.4
185.13197	1.3
194.07251	1.8
195.08037	39.1
196.08600	1.2
197.05992	6.0
198.06750	21.6
198.08575	1.1
199.03889	1.6
199.07529	11.1
200.04700	2.4
201.75777	0.6
209.06049	0.6
211.07561	0.9
212.08295	1.0
213.05573	2.1
213.09091	44.1
217.08899	0.6
223.07510	17.5
224.08224	1.8
226.06242	13.1
241.08580	100.0
241.19530	3.3
242.08908	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	241.0858
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
53.03941	0.6
53.51455	0.5
55.01852	0.9
55.05494	1.6
57.07054	0.8
64.86192	0.5
65.03922	2.3
67.05483	1.6
69.03414	0.7
69.07045	1.3
71.52206	0.8
72.89522	0.5
74.67191	0.4
79.05482	5.2
81.03404	1.0
81.07042	1.0
83.08586	1.0
91.05457	2.0
93.07040	2.8
95.04954	1.1
95.08592	1.4
97.10170	0.5
105.03413	0.6
105.07012	1.2
107.04945	3.1
107.08566	0.5
111.04379	1.1
114.34699	0.6
115.05493	1.2
117.07008	3.0
119.04925	0.9
119.08553	0.8
121.02859	39.0
121.06503	2.9
121.10073	1.0
128.06224	3.3
129.07007	4.4
131.04964	0.7
131.08571	2.8
133.10161	0.6
141.06984	3.2
142.07750	2.0
143.08563	4.7
144.05659	1.1
145.06494	0.9
145.10136	2.9
147.04420	1.2
147.11632	1.1
149.02332	9.6
152.06198	9.4
153.07004	3.1
155.08530	1.1
157.06467	4.7
157.10133	2.8
159.11705	2.1
163.03896	1.6
165.06999	4.5
166.07753	1.7
167.08534	9.0
169.06487	5.4
169.10077	0.9
170.07263	2.8
171.04503	0.5
171.08043	9.3
171.11694	3.9
171.29514	0.5
173.06056	0.8
173.13263	2.4
175.03928	0.8
176.06235	1.0
177.06982	2.3
178.07713	1.2
179.08554	1.2
180.05701	1.6
181.04866	0.9
181.06445	13.0
181.07928	1.0
182.07234	2.3
183.07947	1.0
184.05161	1.8
185.05983	1.2
185.09587	5.9
185.13216	3.3
188.58006	0.5
194.07266	1.2
195.08037	27.6
197.05946	8.8
197.09648	0.8
198.06770	8.8
199.07533	55.9
199.14732	3.3
200.04716	1.0
200.07835	0.8
208.05159	0.8
213.05423	2.0
213.09076	12.7
223.07520	16.8
224.08263	3.2
225.05502	0.8
226.06230	12.4
241.08571	100.0
241.19493	12.2
241.21774	0.9
242.08946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0858
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
54.69482	0.4
55.01869	0.8
55.05509	0.9
55.69823	0.4
57.07052	0.6
65.03937	1.5
67.05475	0.8
69.03425	0.5
69.07053	0.7
69.46623	0.6
69.47038	2.5
75.02697	0.4
79.05499	3.3
81.03412	0.4
81.07057	0.7
91.05481	1.2
93.03764	0.4
93.07027	1.8
95.04967	1.1
95.08575	0.8
105.06946	0.6
107.04939	2.2
107.08635	0.5
111.04424	1.0
115.05455	1.0
117.07033	0.4
119.04893	0.6
121.02863	33.8
121.06493	3.2
128.06241	2.7
129.07019	2.0
131.04904	0.7
141.06989	2.7
142.07742	1.5
143.08542	2.8
144.05666	0.8
145.06488	1.3
145.10101	0.8
147.04376	1.1
149.02328	7.3
152.06203	8.0
153.06967	4.0
156.09348	0.4
157.06490	4.2
157.10130	1.4
159.04353	0.6
163.03923	1.8
165.07010	4.9
166.07726	1.5
167.08571	9.3
168.05629	0.6
169.06487	5.2
170.07237	1.4
171.04399	0.5
171.08035	8.4
171.11702	0.9
173.05943	0.8
175.03926	1.1
176.04610	0.5
176.06212	0.7
177.06941	2.1
178.07689	0.9
180.05750	1.2
181.05035	0.5
181.06441	9.0
181.07924	0.7
182.07234	2.0
184.05228	1.5
185.06030	0.9
185.09631	4.8
185.13100	0.8
194.07333	0.6
195.08049	25.5
197.05972	8.2
198.06754	9.0
199.07535	50.1
200.04669	1.0
200.07928	0.8
208.05090	0.4
211.50856	0.8
212.08331	0.4
213.05754	2.1
213.09100	11.4
218.51868	0.4
223.07521	17.9
224.08290	2.9
225.05423	0.7
226.06238	14.0
235.53825	0.6
240.07677	0.5
241.08582	100.0
241.19469	2.0
241.23564	1.3
242.08960	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01868	0.7
55.05502	1.7
56.05039	0.3
56.96313	0.5
56.96564	6.8
57.03438	1.5
57.07057	0.5
58.06599	18.7
59.04986	0.7
61.02923	1.9
62.97152	0.3
65.03912	0.3
67.05494	1.0
69.03439	2.7
69.07053	0.6
70.06200	0.4
70.06590	4.1
70.98096	0.3
71.04974	1.0
71.20627	0.5
71.20985	0.3
71.95251	0.8
72.08146	0.7
73.02923	2.5
74.97565	0.3
77.00876	0.3
79.05479	0.7
79.76983	0.3
81.03419	1.7
81.07033	0.5
81.08973	0.3
82.06566	0.5
83.04967	1.1
83.08611	0.4
84.04496	0.3
84.08145	10.5
84.96007	0.5
85.02910	4.2
85.06541	0.6
87.04460	0.5
88.99148	0.3
91.05465	0.9
93.03722	0.7
93.07040	0.3
95.04974	0.6
96.04459	0.3
97.02317	0.4
97.02893	3.4
97.06519	0.5
98.06031	0.5
98.09696	1.8
98.97581	8.7
99.04440	0.8
100.11227	0.6
101.00868	0.6
105.07021	0.3
107.04951	0.6
109.02857	0.7
109.10133	0.3
112.99136	0.4
114.05503	0.6
115.02439	0.4
115.03905	0.4
116.98621	9.1
118.03551	0.5
119.01912	4.1
120.02027	0.5
120.03415	0.3
123.04445	0.5
124.03923	0.3
124.07577	0.7
126.05470	0.7
126.09165	0.4
127.03918	1.4
128.10710	3.8
128.98602	0.7
130.03668	0.3
131.00154	0.3
131.01921	2.0
133.01721	0.3
133.03456	1.0
134.06007	6.8
134.99648	7.6
135.05124	0.3
136.04637	0.5
136.06081	0.4
136.07578	1.7
137.02969	0.8
138.05431	0.6
140.00194	0.5
140.02292	0.5
143.00229	0.3
143.01857	1.3
144.01910	0.3
144.10191	1.4
145.03445	1.0
145.04945	0.4
146.99651	1.0
147.03252	0.4
147.05774	0.8
147.06845	0.6
148.03851	0.5
149.01225	0.4
149.02895	0.9
150.05496	0.3
150.09161	0.2
151.06004	0.6
151.08730	0.3
152.07062	9.8
152.10634	0.3
153.00711	1.4
153.01796	0.3
154.03758	0.4
155.01910	0.6
157.03458	0.6
158.01317	0.5
158.56590	0.3
158.97302	0.3
158.99588	0.6
159.03259	0.4
159.04996	0.5
159.06184	1.2
160.04855	0.4
160.06546	1.0
161.02965	1.9
161.04262	0.3
161.06673	0.4
162.03157	0.3
162.56601	0.3
163.02774	0.3
163.04381	0.6
164.07065	25.8
167.01895	0.4
168.10207	1.0
169.04424	0.4
169.07109	0.4
169.09749	0.8
170.05179	0.7
170.99646	0.4
173.02974	0.8
175.04443	0.5
177.00755	0.5
177.04185	0.6
181.09787	1.2
182.08107	0.5
185.02927	0.6
187.04530	0.7
189.00754	0.5
189.05968	0.4
190.05713	0.4
190.98761	0.4
191.02187	0.3
191.03931	0.6
192.80934	0.3
193.03699	0.3
195.08340	0.4
196.09695	6.7
197.09251	0.6
198.99045	0.3
199.04460	0.5
201.00710	0.4
201.02455	0.5
203.03938	0.4
205.03658	0.3
206.53192	0.3
213.05971	0.4
213.15874	0.4
215.04013	0.5
217.00166	1.0
217.01997	0.3
219.01871	1.0
219.03677	0.4
221.05054	0.7
223.04752	0.3
223.10788	1.6
229.05701	0.3
231.03581	0.4
235.01334	0.3
237.02783	0.8
240.57324	0.5
241.15465	100.0
242.07640	0.3
242.10300	1.3
245.05118	0.3
258.99600	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	240.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67610	0.4
53.03929	0.5
54.91080	0.4
61.16386	0.5
65.03934	1.0
66.94518	0.4
67.05494	0.7
69.03417	0.7
69.07059	0.8
71.27539	0.4
71.50645	0.8
78.53027	0.5
79.05490	5.8
81.07044	5.1
85.02868	0.6
85.94923	0.4
91.05479	3.9
93.07034	2.3
95.04933	0.8
96.30537	0.4
105.07007	1.3
107.04926	0.7
107.08585	5.2
108.08926	0.5
109.06474	0.7
110.07671	0.5
115.05440	0.6
117.05704	0.6
117.07006	0.9
118.06540	0.5
122.06020	0.5
129.07007	1.3
131.04922	1.2
133.05237	3.1
134.05974	1.1
134.90492	0.4
143.07314	0.7
144.05669	0.6
144.08014	0.5
145.06468	2.2
146.06001	15.5
147.06747	1.9
148.07570	1.2
149.09747	0.5
153.07057	0.5
154.06496	2.4
155.06035	0.6
155.07251	1.6
156.08078	4.0
159.06801	2.8
159.07959	0.4
160.07570	4.8
161.08356	2.3
165.06961	0.6
166.06482	0.9
167.07184	0.7
168.08087	1.7
169.08891	0.6
170.06012	8.5
170.07358	0.9
170.09634	3.3
171.06779	17.7
172.07567	13.0
173.08231	0.8
174.09117	1.1
180.08058	2.0
181.04961	14.3
181.06412	0.6
181.08759	0.7
182.05890	0.5
182.09674	1.4
183.06790	27.2
184.07564	36.8
184.72238	0.5
185.08356	39.5
186.08925	2.2
194.07126	0.6
194.09598	1.7
196.07571	32.7
196.16940	0.8
197.08356	35.4
198.09122	35.6
199.09837	2.1
208.11163	0.9
209.08330	0.7
210.09132	25.7
211.09915	21.5
211.13185	0.7
212.10684	5.7
212.14207	0.7
223.13222	0.5
224.10670	5.2
225.11456	6.9
238.12231	1.5
240.13820	100.0
241.14221	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05507	16.0
57.07080	10.4
59.05004	1.5
67.05184	2.3
67.05506	25.7
69.03432	2.6
69.07069	25.8
71.04980	4.9
71.08614	3.1
71.51582	2.6
79.05492	18.2
81.06599	3.5
81.07055	54.2
83.04971	1.7
83.08614	12.3
85.06538	6.6
89.06033	3.0
91.05475	19.6
93.07036	30.6
95.04944	2.6
95.08604	100.0
96.08920	1.6
97.06516	4.4
97.10167	7.1
98.97563	3.3
99.08098	3.9
105.07028	59.6
107.08593	46.9
109.06519	4.5
109.10158	45.9
111.08054	2.1
111.11706	3.1
113.09691	2.3
119.08583	53.9
121.10150	31.1
123.08073	5.3
123.11703	25.0
125.09648	4.5
127.07529	2.1
129.07033	1.7
131.08548	2.5
133.10126	29.0
135.11681	14.6
137.09601	5.6
137.13239	4.0
139.11177	2.7
145.10117	4.9
147.11687	68.9
149.13271	9.2
151.11154	5.0
155.08527	3.4
159.11667	1.7
161.13257	24.0
163.14801	20.4
165.07024	2.4
165.12756	6.0
169.10153	3.6
175.14853	4.4
177.16376	28.2
179.17973	1.8
180.97867	1.6
181.10118	1.6
183.11726	4.4
189.00890	1.6
197.08162	2.2
197.13376	3.3
203.10577	1.7
203.17953	89.0
204.18311	2.6
210.26938	1.7
211.07533	2.8
221.15436	3.9
221.19008	34.9
236.54222	2.2
239.06998	7.0
239.14343	2.7
239.17955	5.1
239.20065	15.2
240.23840	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	239.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.31448	1.4
55.01849	1.9
55.05509	6.5
57.03430	1.3
57.07076	3.3
59.04982	1.7
65.03926	3.6
67.05514	8.9
69.03445	2.1
69.07066	14.4
70.35531	2.4
70.35928	2.7
71.04996	3.8
76.86880	1.3
79.05477	5.1
81.07050	18.0
83.04945	1.7
83.08599	5.2
85.06536	5.6
88.05991	1.5
89.06024	2.4
91.05479	51.2
92.05798	1.4
93.07043	9.1
95.04983	7.2
95.08609	18.7
97.06512	3.2
98.97569	1.8
99.08099	3.4
103.05463	2.1
105.07018	7.1
107.04951	1.6
107.08579	6.9
109.06493	4.1
109.10155	10.3
111.08060	1.9
111.11787	1.7
115.05468	1.7
118.04149	2.8
119.04945	55.7
119.08604	7.4
121.02871	2.2
121.10104	6.6
123.08048	3.7
123.11682	3.7
125.09641	2.6
132.02075	4.1
132.59779	1.5
133.02849	1.3
133.10114	5.0
135.04390	1.9
135.11684	3.9
136.05211	2.1
137.06010	2.3
137.09619	3.4
137.13263	2.1
139.11111	3.0
142.07724	1.3
145.02788	2.3
145.98940	1.2
147.04404	46.9
147.08084	1.4
147.11682	4.9
149.02327	5.6
149.13275	2.1
151.03856	1.8
151.07495	1.6
151.11191	1.4
153.07031	1.4
155.08540	5.6
157.03957	4.5
161.09576	2.2
161.13199	3.3
163.04070	1.5
163.14830	1.7
164.04689	2.3
165.06960	10.4
165.12755	2.9
165.33905	1.4
168.05692	1.9
169.06413	1.6
169.10127	4.6
174.16794	1.5
175.03908	76.1
175.14775	2.6
177.01775	2.3
177.16400	2.5
179.07031	5.7
179.14330	3.6
182.05614	1.8
183.08038	5.4
183.11655	4.9
192.04187	10.8
193.06511	1.4
193.08571	1.5
197.06009	4.1
197.08083	12.4
197.13312	1.5
203.17903	3.7
207.06522	100.0
211.07518	6.0
221.15427	5.0
221.18951	5.5
239.07018	25.7
239.08882	1.8
239.10771	2.5
239.14328	3.3
239.17981	3.8
239.20113	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	237.1848
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03942	4.7
55.05504	35.4
57.07069	10.9
58.37782	2.0
59.04978	4.5
61.02907	4.9
63.81930	2.4
67.05502	44.2
69.03419	3.3
69.07066	33.8
69.27433	24.2
71.04982	9.8
71.08614	3.0
79.05492	28.7
81.03420	3.1
81.07051	100.0
83.04964	9.5
83.08620	18.9
83.54820	2.2
85.02888	2.3
85.06526	8.9
91.05460	26.9
93.07040	70.9
95.04973	9.5
95.08600	89.6
97.06520	14.0
97.10154	8.4
98.21533	4.4
99.04444	3.7
101.05967	2.5
105.07017	31.0
107.04971	3.6
107.07884	4.7
107.08586	79.8
107.09313	3.9
109.06508	18.0
109.10152	79.4
111.08059	13.7
113.09609	3.0
117.06987	5.8
119.08567	44.1
121.06487	7.5
121.10130	83.4
123.08063	9.2
123.11700	63.5
125.09602	9.7
127.07567	5.7
131.08539	15.0
133.10114	37.9
135.07097	2.1
135.08035	11.6
135.11691	27.5
137.05917	2.2
137.09576	11.2
137.13205	12.1
139.11154	5.0
143.08545	3.2
145.10106	26.9
147.11702	6.8
149.09621	11.7
149.13263	11.1
151.11159	5.0
153.09032	3.0
153.12784	4.0
154.73944	2.0
157.10086	2.5
159.11655	26.5
161.13232	27.1
163.11168	24.3
163.14795	3.9
165.06961	3.7
167.10669	3.3
173.13231	7.3
175.14813	22.7
177.12750	13.0
177.16383	92.2
179.14250	5.5
181.08662	2.3
181.12231	12.4
191.14339	4.0
191.17946	8.5
201.16422	29.7
208.81551	2.4
219.13998	3.5
219.17429	52.6
237.12918	2.4
237.14790	5.5
237.18494	69.7
237.22168	5.3
257.46753	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	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03944	2.6
54.69072	1.8
55.01867	5.1
55.05513	13.2
57.03437	3.3
57.07074	4.5
59.04986	7.0
61.28865	1.7
63.22799	1.9
67.05508	21.0
69.03429	15.3
69.07071	11.8
69.83938	10.9
71.04990	32.7
79.05487	24.4
81.07053	100.0
83.04966	4.0
83.08614	6.7
85.06526	7.7
91.05472	12.0
93.07042	29.4
94.66009	1.8
95.04958	8.3
95.08601	27.3
97.06528	9.3
97.10152	5.1
98.20860	3.2
99.08094	53.2
105.07017	27.7
107.08592	31.3
109.06541	14.5
109.10155	34.3
111.08067	4.6
113.09595	2.0
117.07069	2.4
119.08569	14.6
121.06521	3.6
121.10127	18.7
123.08116	5.2
123.11683	12.4
125.09628	8.5
127.07552	24.5
127.11198	22.4
131.08560	7.9
133.10139	39.7
135.08057	3.6
135.11682	13.0
137.09589	3.4
137.13264	2.7
139.11154	5.1
143.10681	5.4
145.10138	14.1
147.11697	8.8
149.09592	4.3
149.13231	8.3
151.11179	38.4
155.10648	10.6
159.11659	9.8
161.13249	10.1
163.11172	4.4
165.12715	4.0
169.12201	4.0
173.13289	4.0
175.14835	3.8
177.12755	3.0
177.16348	6.5
179.14265	2.1
181.12225	2.3
191.17886	2.8
191.30232	1.8
201.16386	10.0
219.17429	15.4
231.23376	1.8
237.14789	2.6
237.18509	28.7
237.20967	3.0
237.21822	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03925	2.4
55.05508	17.0
57.03424	4.1
57.07054	8.2
58.52210	1.8
59.04983	2.6
67.05501	24.0
69.03429	9.6
69.07061	21.0
71.04976	5.3
71.11373	3.5
79.05473	10.8
81.07053	36.3
83.04987	9.2
83.08621	15.0
85.06537	7.2
91.05478	10.5
93.07044	31.8
95.04940	3.4
95.08603	53.5
95.98483	2.4
97.06514	7.0
97.10145	8.1
99.08086	11.3
101.06022	2.4
102.04742	1.8
105.07020	25.5
106.12389	1.7
107.08589	61.5
108.89955	1.7
109.06526	10.4
109.10149	55.8
111.08102	13.1
113.09640	2.5
117.06974	3.8
119.08575	34.4
121.06501	7.0
121.10139	40.8
123.08059	6.0
123.11703	10.9
125.09609	8.9
127.07532	13.6
127.11189	3.2
129.09096	3.4
131.08553	8.8
133.10118	21.2
135.08040	7.0
135.11678	33.9
137.09601	7.7
137.13243	3.1
139.11076	2.5
141.09097	3.1
145.10089	19.0
147.11681	17.5
149.09563	6.4
149.13231	9.8
151.11211	4.6
153.12706	4.5
159.11688	23.0
161.13237	31.0
163.11168	21.0
163.14790	12.0
165.12744	6.1
173.13188	8.5
175.14807	11.2
177.12709	12.6
177.16418	9.6
181.05000	2.6
181.12210	13.9
191.14261	5.9
191.17953	22.4
193.84276	2.0
201.16380	37.7
219.17438	54.9
237.09291	3.1
237.11267	2.6
237.18483	100.0
237.22214	4.8
246.71812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03938	5.8
53.62140	2.9
55.01863	2.9
55.05511	34.0
57.03425	4.2
57.07063	10.5
59.05002	7.0
64.41203	3.1
65.03929	5.5
67.05505	54.2
69.03423	9.2
69.07069	50.2
69.54957	23.5
71.04989	26.1
73.06550	3.5
79.05064	4.9
79.05490	47.0
81.03426	3.5
81.06595	6.3
81.07056	100.0
83.04984	10.7
83.08627	17.0
85.06537	11.5
91.05470	33.8
93.07044	77.7
93.07638	4.6
95.04949	9.9
95.08605	97.9
97.06525	28.4
97.10157	9.7
98.20752	4.8
99.08117	5.7
105.04485	3.8
105.07021	64.1
107.08588	92.6
109.06489	20.1
109.10158	86.3
111.08085	29.9
111.11735	5.2
113.09635	5.2
115.24010	3.2
117.07013	19.2
119.08570	55.3
121.06481	8.8
121.10133	59.3
123.08070	10.2
123.11687	18.7
125.05991	3.3
125.09625	22.4
125.60035	3.3
127.11233	6.3
131.08557	32.2
133.10130	79.0
135.08060	11.5
135.11696	50.0
137.09618	12.9
139.11211	4.8
143.10638	9.9
143.17911	3.4
144.09410	4.2
145.09053	6.1
145.10112	53.5
147.11705	24.4
149.09610	11.1
149.13257	18.5
151.11139	19.3
153.01823	4.0
153.12729	10.9
154.53479	3.1
157.10114	4.1
159.11696	48.8
159.67175	3.6
160.62221	3.1
161.09535	4.5
161.13245	26.5
163.11224	18.5
163.14841	5.2
165.12715	5.7
169.82133	2.8
173.13240	17.4
175.14824	7.3
177.05501	6.9
177.12753	6.3
177.16365	9.1
181.12318	4.1
191.07036	3.8
191.14235	5.8
191.17931	12.0
201.16385	72.1
219.10100	5.0
219.13887	7.6
219.17445	43.7
230.30014	3.1
237.14781	10.6
237.18507	74.6
237.22043	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	237.1847
Annotation	(E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal
Peak:m/z	Relative Intensity
51.18364	1.5
53.03933	2.7
55.01868	4.5
55.05502	14.1
55.65358	1.5
57.07058	4.5
59.04982	2.3
62.83418	1.7
67.05505	17.7
69.03420	13.9
69.07071	14.1
70.26319	1.7
71.03130	3.5
71.04991	24.2
79.05488	24.6
81.07054	100.0
83.04977	4.2
83.08611	5.9
85.06531	7.6
91.05460	13.0
93.07041	25.0
95.04967	7.9
95.08598	26.1
97.06531	9.9
97.10193	3.2
99.08089	38.3
105.07038	26.3
107.08584	25.1
109.06526	15.3
109.10163	34.7
111.08075	4.7
117.07003	3.5
119.08572	14.6
121.06524	3.8
121.10136	18.6
123.08077	5.8
123.11697	12.9
124.89803	1.9
125.09647	11.0
127.07561	19.4
127.11198	20.0
131.08545	9.2
133.10127	35.0
133.53777	1.6
135.08058	4.1
135.11700	12.4
137.09610	2.4
137.13214	8.8
139.11159	4.7
143.10704	6.1
145.10107	17.8
147.11674	7.9
149.06107	1.8
149.09598	1.6
149.13251	7.6
151.11171	41.3
155.10657	9.3
159.08037	2.2
159.11722	6.5
161.13203	6.2
163.07520	1.9
163.11201	3.4
165.12753	3.9
169.12175	3.0
173.13246	2.9
175.14844	3.4
177.09143	2.0
177.16368	3.9
179.14270	1.7
191.14415	2.7
191.17923	2.4
201.16406	6.4
203.43468	1.7
219.10182	1.8
219.17456	18.6
229.13016	1.7
237.14859	3.6
237.18515	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	237.1848
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03940	3.6
54.10519	1.2
55.01856	2.6
55.05509	17.1
57.03422	1.8
57.07067	5.1
59.04996	6.7
65.03926	1.2
67.05177	2.0
67.05504	21.9
69.03419	4.8
69.07066	27.2
71.04984	7.0
71.42881	2.1
72.73133	1.2
79.05491	22.9
81.03436	1.7
81.07054	100.0
82.07381	1.2
83.04968	4.6
83.08616	8.0
85.06540	6.3
87.04481	2.5
87.92830	1.1
91.05467	13.6
93.07040	57.8
95.04976	6.7
95.08602	67.3
97.06515	8.7
97.10155	5.1
98.97570	2.0
99.04440	1.5
99.08094	3.5
103.05449	2.7
104.07110	1.4
105.07025	22.1
107.04955	1.9
107.07883	2.5
107.08592	48.9
109.06509	6.8
109.10157	27.3
111.04447	1.7
111.08077	4.9
111.11712	2.9
115.07536	2.4
117.07024	6.3
119.08570	28.9
121.06521	6.2
121.10139	48.7
123.08075	4.1
123.11680	7.8
125.09615	6.5
127.11206	1.6
129.07008	1.3
129.09134	3.4
131.04967	1.6
131.08574	7.5
133.10124	19.9
135.08081	7.5
135.11687	81.4
137.06041	1.2
137.09618	4.3
137.13211	1.8
139.11137	3.5
143.08598	2.3
145.10117	27.8
147.11710	6.2
149.09615	2.9
149.13240	7.1
151.07550	1.7
151.11180	5.1
153.09097	1.4
159.08046	1.8
159.11694	19.0
161.09650	1.9
161.13269	11.2
163.11180	7.4
163.14835	3.6
173.13272	3.7
175.14827	3.0
177.05502	2.7
177.12738	6.9
177.16393	3.7
179.14333	1.8
181.12219	1.4
191.07028	3.1
191.14302	3.8
191.17952	13.0
201.12697	1.3
201.16374	15.7
205.04951	1.7
219.10129	2.4
219.13831	5.1
219.17432	36.9
237.07460	2.7
237.14758	7.3
237.18512	33.7
237.22147	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	237.1848
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
51.74829	1.0
55.01862	2.3
55.05505	20.7
57.03411	1.1
57.07071	7.5
59.04981	2.9
65.03916	2.0
67.05501	32.8
69.03425	1.5
69.07060	15.5
71.04976	1.4
71.52068	1.8
79.05485	10.9
79.61736	1.0
81.07050	59.6
83.04965	6.5
83.08615	8.2
85.06522	5.0
91.05473	5.3
93.06487	1.7
93.07038	22.6
95.04951	2.4
95.07986	1.8
95.08598	36.1
97.06538	5.0
97.10151	2.7
99.04449	2.6
100.05429	0.9
101.06024	7.2
103.05493	1.2
105.07001	8.2
107.04905	1.0
107.07882	2.0
107.08588	31.3
109.06492	2.9
109.10149	100.0
111.04427	1.3
111.08060	2.4
115.07542	1.6
117.07025	2.0
119.08562	11.1
121.06505	1.7
121.10136	62.2
122.10426	1.3
122.27859	1.0
123.08060	3.9
123.11697	75.6
125.09606	2.6
127.07559	2.4
131.08562	4.0
133.10095	3.6
135.08075	2.8
135.11688	12.4
137.13234	5.7
141.09056	2.0
145.10126	6.6
149.09625	8.2
149.13269	1.9
150.83221	0.9
153.09084	1.4
159.11656	4.2
161.13237	2.4
163.11162	20.7
163.14740	1.1
167.10654	6.0
172.94644	1.0
173.13206	1.3
175.14806	2.0
177.12801	2.0
177.16342	5.7
181.12224	23.1
191.17986	2.7
195.11725	1.3
195.13690	2.1
201.16368	4.5
209.11656	1.8
219.13820	1.2
219.17418	6.7
223.64711	0.9
237.14648	1.4
237.16498	1.5
237.18475	22.4
237.22171	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	237.0868
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
53.03928	0.8
53.95200	0.6
55.01852	1.1
55.05494	2.7
56.96564	0.8
57.07059	1.7
67.05476	3.2
69.07069	3.4
71.04971	1.2
71.08625	0.8
71.50670	0.8
74.02411	3.6
79.05481	2.8
80.02423	0.6
80.05022	1.0
81.07051	3.5
83.04976	2.2
83.08607	1.8
85.02917	0.8
91.05492	3.6
93.07039	3.1
94.06555	4.0
95.04986	1.2
95.08616	3.3
97.06505	1.3
97.10176	1.0
99.08086	1.1
99.45814	0.7
103.05463	1.1
104.04945	1.5
105.07029	1.5
106.06576	1.1
107.08595	2.5
109.10153	1.8
110.06032	2.4
111.04463	0.7
111.11687	0.9
118.06540	7.0
119.08564	1.2
120.03662	0.7
120.04480	2.4
120.08115	0.9
121.02812	1.4
121.06470	1.2
121.10131	1.4
123.11694	1.2
125.09615	1.4
128.04964	5.6
128.97519	0.7
130.06526	9.7
131.04927	2.0
131.07416	0.8
132.04436	2.0
133.05241	1.5
133.06384	0.9
133.10114	0.7
135.04370	1.5
135.08003	0.9
135.11594	1.2
136.07558	5.6
137.05972	1.8
145.07553	1.2
146.05998	100.0
147.04349	1.1
147.06342	1.5
148.03937	13.9
148.05119	1.1
149.05956	0.8
149.13252	1.2
150.05542	1.6
153.01801	1.3
157.07597	6.8
159.09158	1.9
159.11703	0.9
163.03888	2.1
163.06232	0.8
163.07516	1.5
164.06999	2.6
165.05646	0.8
167.14282	0.8
173.07091	3.6
174.05502	14.4
177.05489	1.2
177.09093	0.8
178.04901	0.9
191.03343	2.0
191.06770	0.8
191.08202	13.8
191.10013	1.0
191.10422	0.7
192.06538	3.1
202.04976	1.7
203.08162	6.4
209.09441	0.8
219.07822	1.5
219.13795	0.9
219.17545	0.7
219.21007	0.7
220.05992	3.8
237.03957	2.6
237.09035	7.8
237.12634	1.5
237.14890	1.2
237.18312	1.6
237.22063	5.6
247.47307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01851	0.9
55.05507	4.3
55.57888	0.4
56.96560	7.9
57.03423	1.5
57.07076	4.8
58.02949	0.5
58.07395	0.7
59.04992	2.9
60.04519	41.6
61.02916	1.2
65.03912	0.5
65.09427	0.4
67.05500	5.5
69.03419	2.7
69.07069	3.0
70.23293	1.6
71.04984	0.8
73.02916	2.4
73.06560	3.1
74.06060	0.6
75.82957	0.3
79.05482	0.4
81.03423	2.0
81.07050	1.1
81.74989	0.4
83.04991	1.0
84.08151	0.4
84.96055	0.5
85.02896	4.8
85.06527	7.1
86.02422	4.1
87.04467	0.6
87.08086	1.1
88.04016	2.3
90.38369	0.4
91.05438	0.7
94.06543	0.4
95.04964	6.0
95.08585	0.6
96.01489	0.4
97.02885	4.8
97.89308	0.5
98.09712	0.5
98.20842	0.6
98.97575	8.3
99.04442	0.9
103.07571	4.7
104.01271	0.5
106.05020	100.0
107.05392	0.6
107.08560	0.6
109.02856	1.1
110.01255	0.6
110.03130	0.6
110.97578	1.1
112.07597	0.6
113.05981	0.6
116.03469	1.9
116.98620	4.2
119.01810	1.6
126.09150	1.3
127.03943	0.8
128.02246	0.7
128.98576	1.6
131.00159	0.5
132.02934	4.3
132.10674	0.4
134.99672	2.4
135.04405	0.4
136.69183	0.5
137.05936	1.9
137.09673	0.5
138.06316	0.5
143.07924	0.4
146.02260	0.5
146.04108	1.5
146.06000	1.0
146.99608	2.2
147.03264	1.8
147.05780	0.5
153.00653	0.5
153.01804	1.0
153.08594	0.4
154.08600	3.7
155.04639	15.7
155.54791	2.0
158.99657	2.9
161.01302	1.0
161.02870	0.7
161.04639	0.4
164.03900	0.6
164.05177	8.0
164.06583	0.5
164.55386	1.2
165.04381	2.2
166.55476	2.1
170.99597	1.0
172.09644	3.1
174.11305	0.4
175.56049	0.5
176.07101	0.5
177.00693	4.2
179.10696	0.4
180.11044	0.6
182.03500	0.6
183.05348	0.4
185.01100	0.4
189.04243	0.7
190.04858	0.6
190.10751	2.3
191.03931	1.0
191.05713	1.7
200.09174	7.5
202.04977	0.6
207.01714	0.5
207.05338	0.5
213.00665	0.8
218.06444	1.1
218.10220	9.9
219.01704	1.9
219.07794	0.6
227.06786	4.4
236.07240	2.0
236.09499	0.8
236.11264	20.4
236.14929	0.8
236.17198	4.2
236.20782	0.5
237.02779	1.3
248.99374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03951	2.5
55.01862	2.0
55.05511	27.6
57.03445	14.5
57.07076	26.8
59.05008	3.6
60.50716	1.7
67.05505	41.5
69.03422	3.1
69.07066	34.7
69.79545	4.7
69.79972	7.0
71.04988	8.5
73.06547	2.3
79.05488	19.0
81.07053	66.2
83.04988	4.6
83.08617	13.4
85.06547	5.0
91.05489	22.7
93.07044	46.3
93.30522	1.8
95.04975	4.2
95.08605	96.8
97.06526	7.1
97.10162	13.6
105.07024	56.1
105.07706	3.8
107.08592	56.7
109.06517	6.6
109.10152	100.0
111.08090	12.2
111.11719	5.1
113.09660	5.0
117.07030	3.6
119.04947	1.8
119.07704	3.4
119.08575	66.7
121.10144	57.9
123.04440	2.5
123.08057	4.3
123.11711	34.4
125.09590	9.4
127.11163	3.0
131.08553	4.3
133.06467	2.3
133.10126	49.3
135.11688	27.3
137.09615	5.0
137.13271	10.5
139.11169	8.1
143.08543	2.7
145.10149	3.5
147.11687	47.0
149.09680	2.9
149.13268	15.1
151.11249	3.6
151.14821	3.5
157.10155	4.6
159.08023	2.0
159.11690	4.8
161.09642	3.4
161.13264	39.6
163.14787	18.4
165.12755	5.0
173.13283	5.7
175.11140	5.0
175.14819	20.9
177.12767	2.7
177.16376	26.5
179.10658	12.5
189.13023	1.8
189.16396	27.5
191.17924	13.9
199.14821	4.4
205.19528	6.4
207.21036	2.4
217.15962	6.4
217.19502	95.1
218.19807	3.9
232.56593	2.2
235.05942	2.7
235.16925	71.0
235.20581	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03947	3.4
53.18317	1.7
53.73180	2.1
55.01865	2.1
55.05507	10.8
55.84351	1.9
57.07071	10.6
67.05505	13.1
69.03420	2.2
69.07064	11.5
70.65659	6.3
71.04979	2.2
79.05479	12.7
81.03415	2.0
81.06599	3.5
81.07055	44.8
83.04970	2.2
83.08611	7.6
85.02910	2.4
91.05476	17.1
93.07039	31.2
95.04961	5.6
95.08599	65.5
97.06531	3.6
105.07029	38.7
107.08596	40.6
109.06525	6.5
109.10162	18.3
111.08065	16.9
111.11710	1.9
117.07013	4.7
119.08578	47.6
121.06501	4.9
121.10123	19.1
123.04473	2.0
123.08068	4.8
123.11737	3.2
125.05989	4.0
131.08548	7.9
133.10120	55.5
135.08049	4.2
135.11676	22.8
137.05945	5.4
137.09584	2.7
139.07500	12.6
143.08533	3.4
145.10130	4.9
147.08028	3.6
147.11681	37.5
149.09616	2.2
149.13217	4.9
151.07567	4.1
151.11203	2.0
156.09340	2.8
157.10120	8.9
159.11664	9.3
161.09602	6.6
161.13235	13.8
165.09132	2.7
171.11687	5.2
173.13306	9.7
175.11180	4.5
175.14795	18.2
177.12793	2.3
179.10658	11.7
188.20865	1.9
189.16370	100.0
190.16747	2.5
193.12096	2.3
199.14795	4.3
207.17474	2.6
217.15881	31.9
235.13339	3.5
235.16924	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
53.03934	3.4
55.01871	2.2
55.05509	13.5
57.03416	2.1
57.07079	15.1
59.04989	1.7
63.96635	1.4
65.03919	1.8
67.05190	1.4
67.05508	20.9
69.03400	2.8
69.07065	16.9
69.23294	10.9
69.23717	3.7
71.04971	5.2
77.69014	1.2
79.05492	23.4
81.03389	2.1
81.07053	51.9
83.04986	6.2
83.08609	5.2
85.02871	2.0
85.06511	2.6
91.05472	27.1
93.07040	42.1
95.04960	6.7
95.08605	42.9
97.06529	5.3
99.04408	1.8
102.55799	1.4
103.05480	2.6
105.03407	1.6
105.07031	59.0
107.04940	4.5
107.08590	62.0
109.06516	18.9
109.10145	17.1
111.04432	1.6
111.08073	10.9
115.05408	2.1
117.06993	6.2
119.08578	65.8
121.06501	12.5
121.10141	19.3
123.04433	2.6
123.08048	12.9
123.11691	15.3
125.05975	2.2
125.09611	3.3
127.07549	5.6
128.06209	4.2
129.06999	8.6
131.04933	2.3
131.08565	13.3
133.06462	5.2
133.10127	72.2
134.10449	1.5
135.08052	11.4
135.11670	11.7
137.05960	4.2
137.09604	5.5
139.07532	2.8
142.07782	6.2
143.08546	8.2
144.09306	1.2
145.06482	3.2
145.10107	10.4
146.07240	3.3
147.08032	20.0
147.11681	23.5
149.09593	7.8
149.13235	3.4
151.07513	4.7
151.11139	2.4
153.09128	1.9
156.09326	3.2
157.10126	25.0
159.11722	12.4
160.05206	1.3
161.09610	100.0
161.13231	10.6
162.10257	2.7
163.11154	10.3
163.14812	3.1
165.09052	2.1
165.12798	2.4
171.11673	8.8
173.13264	11.2
175.07501	4.8
175.11171	19.7
175.14815	32.7
177.12752	2.9
179.10709	13.3
180.11284	1.6
189.09116	2.0
189.12759	9.0
189.16374	35.6
191.06987	4.3
191.14308	5.9
193.12178	1.7
193.15965	2.2
199.11189	2.4
199.14813	13.6
207.10100	2.4
207.17343	2.0
217.08604	1.9
217.12245	5.9
217.15863	47.3
217.19273	2.0
235.09607	6.6
235.13509	7.4
235.16919	97.8
235.20676	3.2
236.17212	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	235.1692
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
53.03938	3.2
54.11351	1.3
55.01858	1.9
55.05506	10.1
57.07066	5.4
59.60154	1.2
65.03914	2.2
67.05508	17.3
69.03416	4.2
69.07068	10.8
69.94349	5.7
70.88329	1.1
71.04972	3.4
73.96125	1.1
79.05097	1.2
79.05501	19.9
81.07058	47.7
83.04963	5.2
83.08620	4.1
85.06546	1.9
91.05480	20.8
93.07044	31.7
95.04977	6.5
95.08609	35.4
97.06531	4.4
98.21466	1.8
99.04462	2.1
101.63524	1.6
103.05445	1.7
105.06313	2.0
105.07032	44.9
107.04953	3.9
107.08595	61.7
109.06522	17.7
109.10164	17.5
111.04410	2.2
111.08125	6.8
113.05998	3.0
117.06997	5.0
119.04908	1.4
119.08585	46.5
121.06532	10.6
121.10155	15.5
123.08066	11.8
123.11699	16.5
125.09628	2.4
127.07533	5.8
128.06216	3.4
129.07039	6.2
131.08537	7.6
133.06494	4.4
133.10132	60.7
135.08061	12.9
135.11684	8.1
137.05940	2.2
137.09596	4.9
139.07513	2.2
142.07784	4.0
143.08551	7.1
145.06467	1.7
145.10120	10.4
147.08041	22.6
147.11699	19.9
149.09619	6.2
149.13243	1.9
151.07530	3.8
156.09360	3.6
157.10130	13.6
158.10872	1.6
159.11708	7.7
161.09621	100.0
161.13208	7.2
162.10280	5.4
163.11159	8.5
163.14798	4.3
171.11674	8.0
173.13307	7.6
175.07489	1.7
175.11195	17.8
175.14824	20.0
177.12636	2.1
178.68066	1.4
179.10641	6.4
189.12752	8.3
189.16391	16.2
191.06969	2.7
191.14311	4.5
199.11269	1.9
199.14745	8.6
217.12534	6.2
217.15883	33.7
235.09573	2.5
235.13237	4.6
235.16925	61.3
235.20514	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	235.1691
Annotation	15-hydroxysolavetivone
Peak:m/z	Relative Intensity
50.94796	2.4
52.70063	2.2
55.01870	5.1
55.05506	17.3
56.05041	5.7
56.81195	2.4
57.03427	3.6
57.07078	25.4
58.54010	2.3
59.05020	2.6
67.05508	56.4
69.03423	5.8
69.07062	20.8
69.30237	26.8
69.98717	2.6
71.04990	9.5
71.08637	4.7
72.40170	2.4
74.06086	5.6
79.05070	4.0
79.05494	30.4
81.07055	62.5
82.02532	2.6
83.04984	8.1
83.08582	6.3
85.06545	5.2
88.07632	9.4
89.07941	7.0
91.05476	34.2
93.07033	37.9
95.04959	12.5
95.08607	49.2
97.06523	10.8
99.08134	2.5
99.11761	2.9
102.44566	2.4
105.07028	61.7
107.04952	8.0
107.08598	84.7
107.66124	3.1
109.06525	31.9
109.10159	51.4
111.04464	2.9
111.08076	6.9
111.72643	2.9
115.05424	4.1
117.07014	11.7
119.08581	65.7
121.06497	23.7
121.10127	20.6
123.08086	11.2
123.11743	3.8
125.06013	2.7
125.09637	25.5
129.07028	8.1
131.08537	16.4
133.06503	4.0
133.10141	44.7
135.08034	27.6
135.11705	14.6
137.05923	4.2
137.09599	6.1
139.07552	4.9
142.07796	4.9
143.08572	10.7
145.06468	4.3
145.10139	11.7
146.07278	5.0
147.08061	18.0
147.11697	32.1
149.09589	8.0
149.13245	3.1
151.11171	7.5
157.10141	15.9
159.11710	11.6
160.08844	2.8
161.09618	48.2
161.13298	15.7
163.11180	4.7
165.09138	3.2
171.11794	5.1
173.13240	11.5
173.77159	3.1
175.07584	9.0
175.11206	29.9
175.14816	25.1
177.12802	6.1
179.10695	17.3
187.18867	29.5
189.12715	8.3
189.16373	52.5
191.07095	3.1
191.14262	3.3
193.15904	6.1
199.11256	3.1
199.14793	14.2
217.12227	7.5
217.15880	35.9
235.09645	6.2
235.13361	12.0
235.16959	100.0
235.20842	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	235.169
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03940	1.6
55.01853	3.7
55.05506	10.9
57.03415	3.5
57.07071	15.7
59.04980	2.9
67.05505	19.3
69.03410	5.4
69.07064	21.3
69.94080	2.9
69.94469	4.2
71.04984	23.4
79.05159	1.2
79.05492	15.8
81.03394	1.4
81.06600	2.1
81.07053	30.0
83.04995	7.9
83.08604	5.8
85.06524	4.0
89.05994	4.3
91.05473	25.4
93.07040	32.9
93.85315	1.5
95.04966	11.5
95.08595	31.0
97.02845	1.5
97.06514	5.1
97.10184	2.8
103.05450	2.1
105.07022	39.7
107.04973	3.9
107.07890	2.8
107.08587	52.6
109.06500	14.2
109.09390	1.5
109.10145	29.1
111.08101	11.1
115.05452	2.3
117.07004	4.1
119.08572	45.8
121.06491	14.6
121.10140	23.9
123.08067	5.9
123.11680	4.8
125.05947	1.7
125.09631	20.8
127.07531	2.8
128.06239	2.3
129.07002	3.6
131.04918	2.3
131.08565	13.9
133.06485	3.3
133.10121	35.9
135.08066	13.9
135.11687	18.2
137.05984	2.5
137.09622	4.0
139.07513	2.2
142.07767	3.6
143.08505	7.1
145.06476	1.9
145.10107	15.8
147.08006	9.7
147.10515	3.0
147.11679	55.1
149.09616	7.6
149.13272	2.1
151.07523	2.7
151.11150	3.5
153.09128	1.7
153.12697	2.1
156.09302	1.6
157.10107	11.8
159.11679	12.0
161.09607	21.3
161.13245	8.8
163.11182	6.5
165.09015	2.5
165.12762	4.8
171.11693	5.4
173.09624	1.5
173.13261	6.2
175.07616	3.2
175.11154	10.3
175.14833	22.1
177.12814	2.0
178.83395	1.5
179.10629	11.9
185.98846	1.4
189.09021	2.5
189.12756	4.6
189.16373	32.0
191.14334	2.4
193.12181	2.9
193.15802	3.2
195.25873	1.4
197.72440	1.4
199.11107	2.9
199.14783	9.3
207.08244	1.8
207.17642	1.5
217.12288	4.1
217.15857	34.8
217.19394	2.2
235.05786	1.8
235.09650	5.5
235.13258	6.6
235.16914	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	235.169
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
50.84265	1.2
53.03938	3.2
55.05505	9.1
57.07071	8.3
59.04971	1.3
67.05508	15.2
69.03424	2.4
69.07065	8.8
70.55310	2.3
70.55689	4.3
71.04960	1.7
71.10870	1.3
79.05488	12.3
79.95482	1.7
81.07053	45.7
83.04984	3.4
83.08606	3.5
91.05474	16.9
93.07034	26.0
95.04939	4.1
95.08600	25.8
97.06522	2.8
98.20924	1.4
103.88046	1.4
105.07027	41.0
105.29842	1.5
107.08585	56.0
109.06512	11.0
109.10143	10.7
111.08073	6.0
113.05985	2.7
117.07012	4.3
119.07733	1.6
119.08577	32.3
121.06484	4.4
121.10149	11.6
123.08063	13.5
123.11703	15.2
125.09575	1.7
127.07528	4.0
129.06989	4.7
131.08586	8.5
132.05771	1.3
133.06464	2.3
133.10120	55.5
135.08037	9.9
135.11691	4.9
137.09627	3.8
142.07768	4.0
143.08543	6.3
145.10120	6.1
147.08037	16.9
147.11691	10.7
149.09604	3.9
151.07532	3.9
156.09331	2.5
157.10135	11.3
159.11673	7.5
161.09612	100.0
161.13260	4.4
162.10318	3.3
163.11163	6.3
163.14807	4.1
171.11708	5.7
173.13232	6.1
175.11191	12.9
175.14796	20.7
177.12724	2.4
179.10670	4.0
189.12704	4.3
189.16388	17.5
191.14395	3.4
199.14767	7.4
217.15866	30.8
217.19147	2.0
235.16911	47.0
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	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.74592	1.8
53.03935	3.0
55.05515	9.8
57.07080	14.4
59.04988	4.0
67.05502	17.0
69.03424	2.8
69.07069	15.5
70.07026	8.9
71.04990	4.8
73.06546	4.3
79.05477	16.2
81.06596	2.8
81.07059	41.3
83.04970	5.7
83.08601	4.5
85.06534	2.0
91.05478	18.2
93.07044	45.6
95.04956	5.7
95.08610	50.8
97.06514	5.2
97.10197	2.6
105.06318	3.4
105.07028	44.7
107.07899	3.1
107.08591	48.7
109.06496	6.0
109.10162	22.9
111.08083	4.5
117.06994	5.9
119.08578	48.5
121.06504	8.4
121.10140	24.5
122.10902	3.8
123.08102	4.0
123.11707	16.3
125.05957	3.3
127.07520	3.6
128.06174	2.2
129.07021	2.9
131.08556	21.6
133.10129	55.3
134.10455	2.0
135.08055	9.2
135.11700	26.3
137.09645	3.4
139.07510	4.5
139.11275	2.3
142.07802	3.4
143.08539	7.1
145.10130	9.1
147.08049	8.5
147.11694	35.6
149.09581	5.6
149.13295	4.6
153.09099	2.3
156.09373	2.5
157.10146	12.1
158.10966	2.1
159.11649	8.3
160.12352	2.0
161.09615	11.4
161.13232	12.4
165.09019	2.8
171.11771	2.7
173.13235	18.2
175.11230	10.4
175.14801	14.2
177.12735	3.2
179.10640	14.9
184.12450	2.1
187.27271	2.2
189.16376	88.9
190.16698	2.8
191.14369	3.1
199.14833	16.5
217.15860	42.5
223.36829	2.1
235.16927	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	235.1326
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02367	1.1
53.03928	3.4
55.01865	7.1
55.05508	9.3
55.58559	1.1
56.96544	2.1
57.03426	1.9
57.07074	17.1
59.05003	1.2
59.25073	1.0
60.70686	0.9
63.42778	0.9
65.03929	2.7
67.05500	16.1
68.00682	0.9
69.03423	7.2
69.07059	10.0
71.05003	5.8
71.35498	1.9
72.72827	0.9
76.95176	1.1
77.03896	1.0
77.33807	0.9
79.05492	42.4
81.03425	1.7
81.07051	63.8
83.04970	12.4
83.08598	2.5
83.10712	1.0
85.02892	1.3
85.06522	3.7
91.05475	30.3
93.07040	52.2
95.04961	15.6
95.08604	14.9
97.02857	1.4
97.06526	17.6
98.97584	5.6
99.04464	7.1
99.08067	1.1
101.06030	1.8
101.62835	1.0
102.68549	1.0
103.05447	2.2
105.07025	48.7
107.04942	13.9
107.08589	25.2
109.06515	40.0
109.07273	1.7
109.10130	6.3
111.04427	2.3
111.08080	2.2
113.06027	1.5
115.05420	4.1
115.07512	1.0
116.98579	1.6
117.06981	8.7
119.04925	2.4
119.07727	1.3
119.08579	29.9
121.06498	100.0
121.10123	9.2
123.04435	4.7
123.08047	7.3
123.11706	2.4
125.05954	3.8
125.09600	1.5
127.07543	13.3
128.06244	4.9
129.06999	10.1
130.07780	1.5
131.04912	1.7
131.08556	13.9
133.06508	9.3
133.10117	17.4
134.99631	2.0
135.04427	6.9
135.08046	17.9
135.11684	5.6
137.05942	8.1
137.09581	2.2
139.07529	4.8
141.06958	3.5
142.02776	1.0
142.07780	8.7
143.08559	18.5
145.06447	3.8
145.10115	11.8
147.08029	8.5
147.11678	26.1
149.05943	2.0
149.09604	5.9
149.13324	1.2
149.50157	1.2
151.07529	2.8
153.06914	1.3
155.08582	2.9
156.09337	7.3
157.06499	3.8
157.10136	25.9
158.07179	1.4
158.99609	2.4
159.08046	2.8
159.11656	4.5
160.05099	1.3
160.08820	1.8
161.05997	4.6
161.09624	6.5
161.13237	9.1
163.07527	1.8
163.11105	2.1
163.14771	1.5
165.06992	2.5
165.12756	4.6
166.07758	3.7
167.07036	1.4
171.08029	1.8
171.11678	26.0
173.05853	1.3
173.09596	3.1
173.13220	5.1
175.07562	15.9
175.11171	46.9
175.14774	6.3
175.78716	1.0
177.00633	2.3
177.05600	1.0
177.12737	4.5
178.07846	1.6
179.08488	2.4
179.10651	10.8
181.10130	7.5
184.08813	2.9
189.05463	1.8
189.09097	3.8
189.12729	29.9
189.16380	4.0
191.06990	1.8
191.10574	1.3
191.14316	1.4
191.17934	1.0
193.12212	3.2
199.11174	31.8
199.14821	3.3
207.08112	2.4
214.08498	1.1
217.04913	1.2
217.12227	56.9
217.15582	9.7
217.19342	1.2
223.09198	1.2
235.07617	1.6
235.09724	5.0
235.13263	42.5
235.16908	55.3
235.20517	1.7
238.62192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0598
Annotation	2-O,3-Dimethylflaviolin
Peak:m/z	Relative Intensity
51.02370	0.3
53.03919	0.7
55.01849	0.5
55.05494	0.3
57.07069	1.9
65.03921	0.4
67.05480	0.4
68.99770	0.4
69.07028	0.3
69.50012	1.2
69.50422	0.7
73.74313	0.2
74.87183	0.2
77.03899	0.3
79.05486	1.9
81.03410	0.3
81.07024	1.0
83.01273	0.3
85.02883	0.5
89.03902	0.3
91.05473	5.4
93.07023	0.6
94.04166	1.1
95.04968	1.5
95.08582	0.6
95.18495	0.3
98.21658	0.3
102.98853	0.3
103.05454	2.1
105.03333	0.5
105.04510	0.4
105.07020	2.0
106.04089	0.2
107.04896	0.4
107.08517	0.6
108.05737	0.6
109.06510	3.9
109.10114	0.5
111.04430	0.4
118.04156	1.6
119.04910	1.7
119.08527	0.9
120.05694	0.8
121.02841	0.3
121.06496	11.6
121.10117	0.4
123.04408	0.4
123.08044	0.7
123.92436	0.3
131.08627	0.3
132.05702	0.3
133.02812	1.0
133.06503	1.8
133.10083	0.9
135.04401	1.3
136.05159	1.0
137.05908	1.3
139.07530	2.3
147.04358	0.5
147.11679	0.3
148.05173	6.2
149.02371	2.2
149.05994	0.4
149.07089	0.5
150.03102	0.6
151.07530	13.1
153.05461	0.4
160.01488	0.6
160.38919	0.3
161.06006	0.3
162.03101	1.1
163.03897	5.0
163.06139	0.6
163.07521	12.4
164.04666	13.1
165.05443	1.4
173.13110	0.3
175.03867	0.6
175.14847	0.5
177.05435	0.8
179.07001	3.8
179.10640	0.9
181.04919	1.4
189.05432	0.5
189.16324	0.5
191.03384	1.3
192.04153	18.6
193.04834	1.0
199.14870	0.4
205.04817	0.3
207.06503	100.0
208.06819	1.9
217.15871	0.5
235.05991	46.1
235.16901	5.0
235.20570	0.4
236.06316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.05038	10.2
57.07074	6.9
58.06320	0.4
58.06600	6.2
59.17792	0.3
60.04528	1.9
68.05014	0.9
69.07062	0.4
69.31491	3.0
71.08627	4.6
74.05670	0.5
74.06082	10.3
86.06076	1.6
88.07629	31.0
97.10094	0.3
98.21468	0.5
104.07104	1.0
105.07019	0.4
110.97720	0.3
118.08660	5.3
122.08137	7.6
129.93813	0.3
136.78459	0.3
154.15892	0.5
164.76224	0.3
186.18536	50.4
187.18816	0.5
216.19627	1.8
234.20644	100.0
235.16957	0.4
235.20958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
57.03436	1.7
57.07066	0.4
69.85425	1.0
69.85834	0.5
79.05482	1.7
81.07051	5.1
82.72279	0.3
88.23875	0.2
91.05470	1.2
93.07030	0.7
94.04058	1.0
95.04961	0.3
97.02888	0.5
98.97584	0.7
103.05472	1.3
105.07028	0.9
106.06563	1.1
107.04929	0.4
107.08556	0.6
109.05116	0.3
109.06496	0.4
115.05479	0.5
116.98563	0.7
119.03570	2.3
119.04905	0.4
119.08591	0.6
120.08109	4.3
121.06544	0.3
129.06966	0.6
131.04959	1.5
131.08553	0.4
132.95924	0.4
136.06178	100.0
137.04608	1.7
137.05696	0.4
138.70833	0.3
146.06047	0.9
147.04443	0.4
148.06142	0.4
159.08055	0.4
159.11710	0.4
161.06041	0.5
165.05496	0.6
174.96915	0.4
175.03865	0.4
175.06262	0.3
177.00662	0.5
177.05446	0.4
179.10699	0.5
188.07024	0.7
190.10876	1.5
192.06508	1.8
206.08156	0.7
207.06499	0.9
216.14598	0.4
217.16023	0.5
234.07475	1.6
234.13483	61.6
235.05930	0.6
235.09595	0.4
235.13748	1.4
235.16850	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03955	2.1
55.05492	8.9
57.03431	6.7
57.07067	3.3
67.05510	16.2
69.07067	17.9
70.37672	2.7
70.65527	2.0
71.04978	5.4
73.06567	3.3
79.05488	16.8
81.07056	34.7
83.04980	3.0
83.08613	6.9
85.06525	4.8
88.92728	2.2
91.05483	19.0
92.62887	2.1
93.07043	30.5
95.07993	2.8
95.08604	43.6
96.00113	2.4
97.06508	2.2
98.20754	5.9
99.08083	3.1
105.07031	47.3
107.04942	2.9
107.08598	38.0
109.06525	4.6
109.10148	21.2
111.08054	2.9
114.94077	2.2
115.05405	2.9
117.06999	10.1
119.08576	53.3
121.06504	3.9
121.10140	29.3
123.08035	4.8
123.11713	8.0
125.09641	3.4
131.08583	23.2
133.10139	34.3
135.08035	3.7
135.11711	17.0
137.09645	3.3
142.07793	2.8
143.08511	3.7
144.09308	2.7
145.10129	34.3
145.98564	2.3
147.07986	3.3
147.11638	15.7
149.09592	4.6
149.13235	8.3
151.11227	2.9
157.10130	6.3
159.08009	3.1
159.10471	3.4
159.11687	36.3
161.13252	12.1
163.11188	4.4
163.14824	5.4
171.11728	3.2
173.09702	3.0
173.13240	26.4
175.11214	5.2
175.14832	55.7
177.09070	3.3
177.12767	7.0
187.14825	13.9
189.16364	11.8
191.14282	6.2
191.17926	4.5
205.15852	18.0
205.19533	7.8
215.14320	7.0
215.17967	63.0
233.04474	6.0
233.08177	5.2
233.11661	5.8
233.15450	27.8
233.19014	100.0
233.22681	7.5
234.19443	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	233.1535
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	0.6
55.05510	2.6
57.03431	0.6
57.07071	0.7
59.04985	0.8
59.61348	0.4
65.03943	0.4
67.05503	3.7
68.99779	0.9
69.03417	1.8
69.07071	4.5
69.07450	0.5
70.25426	0.3
71.04996	1.9
71.51548	0.6
79.05492	6.8
81.03402	0.4
81.06593	0.7
81.07053	7.8
83.04979	1.0
83.08604	1.0
85.02902	23.8
85.06541	0.5
91.05474	9.2
93.07040	12.8
95.04959	2.8
95.08606	6.3
97.06522	1.6
99.04459	0.8
103.05447	0.5
105.07030	12.7
107.04955	3.7
107.08588	9.4
109.06504	3.6
109.10159	3.0
111.04450	1.0
111.08066	1.0
115.05430	0.8
116.06194	0.9
117.07026	4.5
119.04933	0.6
119.08580	9.2
121.06490	5.4
121.10137	5.7
123.08054	3.0
123.11685	0.8
125.05978	1.4
128.06198	0.4
129.06992	3.1
130.07771	1.1
131.04904	0.4
131.07613	0.8
131.08566	10.4
133.06470	1.6
133.10123	4.4
135.04437	0.7
135.08044	5.4
135.11667	1.7
137.05971	4.6
137.09621	0.8
139.07486	0.4
141.06912	0.6
142.07770	0.8
143.08574	1.6
145.06488	2.0
145.10124	10.1
147.08055	3.7
147.11662	4.8
148.08826	0.8
149.05917	0.7
149.09619	5.3
149.13269	3.1
151.07521	4.3
151.11105	0.8
153.06976	0.5
155.08542	1.3
156.09436	0.4
157.10138	2.7
158.07285	0.7
158.10829	0.4
159.08051	5.1
159.11682	4.4
161.09665	0.9
161.13228	0.8
163.07541	4.0
163.11189	2.4
163.14799	0.5
169.10144	1.5
170.74086	0.4
171.11676	1.5
173.09624	5.2
173.13248	5.2
175.07642	0.6
175.11160	4.8
176.11914	0.4
177.09097	5.0
182.10915	1.1
187.11215	2.7
187.14821	3.9
189.12766	1.2
190.13484	1.7
191.10689	1.9
191.14297	12.7
197.13245	1.6
200.12025	0.5
203.09113	0.4
205.08707	0.4
205.12123	0.9
205.15862	4.0
215.10701	1.4
215.14304	6.0
215.18015	1.1
226.57422	0.4
229.03912	0.3
233.15356	100.0
234.15695	1.6
248.57394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Nootkatin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01866	0.4
55.05502	1.2
57.07062	1.0
57.19338	0.3
58.99015	0.3
67.05503	4.0
68.99776	0.3
69.07055	1.3
70.40007	0.8
70.40398	0.9
79.05484	1.4
81.07047	2.0
83.01336	2.0
83.04971	0.8
91.05473	3.9
93.07042	2.4
95.04963	1.0
95.08607	7.9
105.07040	4.0
107.04943	0.7
107.08568	1.4
108.05733	0.4
109.06506	0.8
109.10131	0.5
111.04442	1.4
115.05453	1.0
116.06258	0.8
117.07003	1.5
119.04953	0.6
119.08553	3.2
121.06499	2.3
121.10113	2.7
123.08067	9.3
129.06961	1.0
130.07806	0.5
131.08568	8.8
133.10107	1.7
134.10904	0.4
135.08046	7.7
137.05994	0.7
137.21582	0.4
143.08586	0.7
144.05658	0.8
145.06483	1.2
145.10107	3.8
147.04356	0.8
147.08049	0.8
147.11649	0.8
149.09613	7.3
151.07533	100.0
152.07835	1.2
155.08505	0.5
157.10161	0.5
159.06702	0.5
159.08040	9.3
159.11703	2.0
161.05997	0.4
161.09598	1.2
161.13182	0.4
161.18404	0.4
162.06743	6.3
163.07545	6.5
163.11177	1.5
163.73189	0.3
165.09056	0.8
169.10112	0.4
173.09628	3.5
173.13249	1.4
175.07573	2.3
175.11212	1.0
176.08289	1.7
177.09096	75.2
178.09424	1.1
187.11192	1.1
187.14854	1.7
189.09111	1.0
190.09906	1.7
191.10664	6.4
191.14276	0.7
197.13260	0.6
203.10617	0.7
205.12227	14.1
215.10675	0.7
215.14246	2.0
215.18021	0.4
215.36461	0.3
233.15353	36.0
234.15669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.0
57.07042	2.3
67.05506	19.5
69.07061	12.6
69.63975	1.4
70.71605	4.2
79.05491	9.4
81.04575	1.3
81.06600	2.3
81.07054	30.4
83.08602	5.2
91.05473	11.4
93.06480	2.3
93.07042	27.5
95.04952	1.9
95.07981	2.6
95.08603	54.3
97.10174	2.6
105.07027	23.8
107.08595	28.1
109.06463	1.3
109.10155	30.3
117.07005	2.6
119.08576	17.0
121.10139	33.0
122.07127	1.9
123.11694	23.3
128.06216	1.7
129.07010	3.2
131.08557	4.3
133.10133	15.3
135.10709	2.1
135.11696	29.5
137.13255	4.9
143.08533	4.9
145.10121	5.8
147.07985	2.0
147.11690	13.3
149.08180	1.5
149.13264	13.4
154.70500	1.5
157.10118	4.1
159.11725	1.7
161.09612	1.7
161.13260	20.9
170.10976	1.3
175.03934	1.8
175.07547	4.1
175.14804	16.9
185.13242	7.5
188.15643	1.7
189.16397	12.3
190.10849	1.9
213.12769	2.7
213.16396	2.5
214.10783	1.6
221.09976	1.3
231.06369	1.7
231.10153	2.4
231.13730	12.6
231.17354	3.2
231.21074	100.0
232.21477	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	232.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01860	1.7
55.05497	0.9
56.05029	1.2
56.96561	6.6
57.03422	2.5
57.07059	0.5
58.99844	0.7
61.02930	4.6
67.05495	1.7
68.05028	0.9
69.03425	4.9
69.07053	2.0
70.06583	1.3
71.04981	2.5
71.50194	0.9
72.08160	2.8
72.93746	0.6
73.02898	2.0
74.06087	0.6
77.00887	0.7
79.05078	0.8
79.05494	9.8
81.03401	1.1
81.07055	2.6
82.06576	2.7
83.04969	1.2
84.04505	9.7
84.08144	64.6
85.02901	9.0
85.06507	1.6
87.04482	0.7
91.05473	1.3
95.01322	0.8
95.04977	1.5
96.08113	2.5
96.14328	0.6
97.01067	0.7
97.02891	3.8
97.06531	4.7
98.97569	2.1
99.04435	1.1
100.07604	0.7
100.99103	0.7
101.00886	2.3
102.00919	0.8
102.05555	5.5
103.02440	0.7
104.98817	0.5
105.00331	0.7
105.07061	0.7
109.02846	0.6
110.97563	1.0
111.04424	0.7
112.02127	0.6
112.07579	0.6
113.02328	1.7
114.05481	0.6
114.06659	0.5
115.02351	0.6
115.07554	0.8
116.07077	0.5
116.98631	0.9
119.00191	0.8
119.01923	12.0
119.41963	0.6
120.02000	3.6
121.01669	2.7
121.03473	1.0
126.09165	2.4
127.03915	1.6
128.98625	1.2
131.01903	2.0
133.03447	2.6
134.05989	0.9
134.99678	1.0
136.05042	0.7
137.02975	3.0
137.05840	0.7
138.03075	1.0
139.02553	0.8
140.07030	0.9
142.03558	0.6
142.04996	0.6
142.08633	15.7
143.01906	5.9
144.98091	0.9
145.03444	3.5
146.03558	1.1
146.99580	1.9
147.01427	0.7
148.01445	0.7
149.02945	1.1
151.04521	1.2
154.08633	0.9
155.01782	0.8
157.03485	1.8
158.03636	0.8
158.99634	0.6
160.04633	1.2
161.02959	10.7
162.03134	1.5
163.02577	0.6
163.04552	1.3
164.04599	1.2
165.00760	0.8
168.10220	1.0
171.01378	0.7
172.01515	1.0
172.09686	62.6
172.99399	0.7
173.02957	2.1
174.12708	0.7
175.04515	1.4
177.71927	0.6
184.04590	1.1
185.02939	1.6
186.02156	19.5
186.09570	0.8
186.11238	5.9
186.99226	0.6
187.00943	1.1
187.02629	1.4
187.04482	1.5
189.00853	1.0
189.02452	1.5
190.02588	3.0
190.98564	1.2
191.02312	0.9
191.03969	2.5
203.03880	1.2
204.04169	0.7
207.03394	0.6
208.03687	0.7
208.99707	2.5
209.04741	1.5
214.01634	3.8
214.10750	0.8
219.03688	0.6
220.03540	0.8
232.11801	100.0
233.06441	9.0
233.12114	3.2
237.02736	0.8
245.04893	0.6
250.04901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.5
56.05009	2.1
56.45520	1.7
57.07082	3.0
61.37467	2.0
67.05503	14.1
69.07063	24.5
69.56097	11.2
76.30513	1.9
79.05499	9.6
81.06600	3.0
81.07056	40.0
83.06084	1.9
83.08607	3.7
91.05486	11.6
93.07035	30.9
95.08607	40.2
97.10154	4.7
97.20880	1.6
97.67223	1.7
105.07024	18.0
107.08593	31.5
109.06523	1.8
109.10155	28.5
111.08043	1.8
111.11710	5.8
119.08587	23.0
121.10140	33.8
122.07159	4.4
123.11700	21.0
129.07022	2.3
131.08533	5.0
133.10112	10.5
134.36653	2.1
135.11696	22.3
136.08652	2.4
137.13231	6.6
143.08527	4.5
145.10098	5.0
145.91486	1.9
147.11693	7.9
148.08658	2.0
149.13223	8.1
157.10037	2.2
161.13260	27.3
163.14876	4.1
175.14818	27.9
185.13266	7.5
189.08998	2.4
189.11320	1.9
213.12823	3.3
231.13670	15.6
231.21083	100.0
232.21367	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	230.0811
Annotation	Melicarpinone
Peak:m/z	Relative Intensity
51.29230	0.4
52.29589	0.3
53.54134	0.3
54.03457	0.4
55.01865	1.3
56.96561	0.7
61.52324	0.4
69.03423	1.2
69.20398	1.2
69.20827	2.5
70.06593	0.9
72.08147	0.5
77.03965	0.4
85.02879	0.9
91.05467	4.1
93.01367	0.4
95.08538	0.4
96.04503	0.6
97.02883	0.4
98.06068	0.8
98.97598	0.4
103.05476	0.5
104.05012	0.4
105.07024	1.5
115.05455	8.2
116.98619	0.5
117.05755	9.3
117.07012	0.9
118.06541	6.9
122.05994	0.5
124.07571	0.4
128.06226	1.6
128.07086	0.4
129.07007	6.3
130.06517	19.6
131.07300	3.1
131.08528	0.7
131.33092	0.4
132.08084	16.9
134.99638	0.4
141.05737	0.5
141.06935	0.9
142.06516	7.1
142.07541	0.6
143.07294	30.5
144.08092	1.9
146.06013	1.2
154.06496	3.9
155.07292	2.5
156.08081	63.1
157.08870	3.9
158.05977	1.5
158.09647	8.7
159.06773	2.9
160.07573	31.4
161.07939	0.4
166.06506	1.0
167.07295	8.2
168.08083	18.0
170.06001	12.6
171.06783	4.5
172.07550	0.8
182.05992	0.8
183.06778	8.5
184.07578	20.3
184.09230	0.7
185.08337	8.0
186.05522	2.0
186.09126	7.2
188.07057	66.1
189.07413	0.9
194.06009	0.4
200.07063	0.7
201.07851	1.3
202.08626	17.4
212.07115	4.8
212.09044	0.8
218.06102	0.4
226.79295	0.4
230.08113	100.0
231.08447	2.1
231.13779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
56.05040	0.7
56.96563	58.1
57.03418	1.5
58.06596	3.5
59.06929	1.8
59.07383	1.0
60.08155	3.0
61.02925	1.2
61.08497	1.4
63.78477	0.8
66.66154	0.7
68.05017	1.2
69.03423	2.8
69.41598	5.5
70.06590	16.5
71.04982	6.5
71.06926	6.7
71.95271	4.5
72.04507	0.8
72.08139	1.8
72.96037	2.2
73.02920	1.4
74.97588	1.0
81.03416	1.1
83.97625	1.6
84.96024	3.0
85.02889	3.8
86.07175	0.8
86.09695	6.7
88.99169	0.7
97.02886	3.2
98.06055	1.0
98.97578	100.0
99.04459	2.6
101.00891	3.6
102.00956	2.3
102.02261	2.1
103.00682	1.0
109.02885	0.9
110.97556	1.6
112.99155	0.9
114.05521	2.1
114.06657	7.8
115.02427	1.3
115.05927	1.0
116.00237	2.2
116.98615	95.0
119.01918	14.2
120.02000	18.2
121.01667	5.7
124.95409	0.9
125.07931	1.7
126.02317	1.5
127.03938	1.9
128.98604	2.0
131.00189	2.2
131.01920	1.6
133.01711	1.4
133.03467	1.5
134.01234	4.2
134.03580	1.2
134.99652	63.8
137.02901	3.5
138.03075	5.2
139.02650	1.6
140.00119	3.4
140.03802	1.1
141.67189	0.7
142.05406	1.3
142.08621	8.1
143.03616	0.9
143.08998	13.3
144.03276	1.7
145.03470	2.1
145.99921	1.2
146.99565	3.5
148.03856	1.8
148.10141	0.7
148.54042	1.5
149.01152	1.1
151.04492	0.8
153.00681	12.3
157.03401	1.1
157.54575	0.8
158.01320	3.7
158.04878	4.6
158.91077	0.7
160.06464	6.1
160.97572	0.8
161.01219	2.2
161.02940	3.6
163.02722	1.2
165.00673	1.6
165.02238	0.8
166.09764	1.8
169.99942	2.2
170.01233	0.9
170.04880	1.9
170.11546	0.8
171.03214	1.6
171.04974	1.0
174.99178	1.4
176.02357	1.1
176.05948	1.9
177.00757	1.6
178.07526	2.3
179.02284	0.8
181.03406	0.7
182.02841	0.8
184.10806	7.0
185.02988	1.0
188.01056	5.2
188.05984	4.5
188.97034	0.8
189.00710	3.3
189.02449	3.2
189.04355	13.2
189.05934	0.9
193.00166	2.5
198.00726	2.4
199.04520	2.9
202.07533	1.3
203.03853	0.9
203.05763	0.9
206.02083	1.3
206.06979	8.4
206.98061	1.3
207.01732	2.6
207.05371	11.8
210.97635	0.8
212.06000	1.0
216.00305	4.2
219.03511	0.9
222.05981	0.8
224.08041	14.7
230.03336	1.4
230.07001	12.4
230.09030	1.7
230.11377	16.6
230.15794	59.4
231.05403	2.1
248.08066	26.3
248.99254	4.0
249.06503	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	229.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05508	5.6
57.03420	1.5
57.07061	1.4
58.10178	0.5
67.05505	13.4
69.07064	4.8
69.46338	2.9
69.46738	1.2
74.96484	0.7
76.93782	0.5
79.05490	8.6
81.07053	19.4
83.08632	3.0
87.07550	0.5
91.05477	9.5
92.55100	0.6
93.07040	16.6
95.08604	19.1
97.10157	1.8
103.05448	0.6
105.07027	23.1
107.08591	19.1
109.10155	15.5
111.11735	0.9
115.05458	0.7
117.07011	5.5
119.08572	22.4
121.10139	17.5
123.11699	2.9
128.06155	0.7
129.06996	1.3
130.07813	1.1
131.07788	0.5
131.08563	17.0
133.10123	24.6
135.11691	11.2
137.13239	0.7
142.55511	0.6
143.08557	1.7
144.09352	3.1
145.06479	0.9
145.10118	28.7
147.11679	15.8
149.13200	4.2
157.10107	0.8
158.10922	1.4
159.11691	29.4
160.12436	0.5
161.13245	7.2
169.10013	0.5
171.11679	1.7
172.12471	0.8
173.06071	0.6
173.11819	1.3
173.13246	26.6
174.13951	0.7
185.13290	1.8
186.14008	1.4
187.14813	11.1
200.15590	1.1
200.97217	0.6
201.16354	5.7
211.14804	0.7
214.17128	0.5
229.08607	1.9
229.19502	100.0
230.19942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03941	3.2
55.01860	3.8
55.05508	69.1
57.03428	6.4
57.07065	9.1
59.05002	13.2
67.05502	54.2
69.03423	17.9
69.07067	29.3
71.04989	16.2
71.50767	2.1
79.05480	12.7
81.07053	32.7
83.04975	58.2
83.08611	39.2
83.88728	2.3
85.06541	35.5
87.04453	3.2
89.06007	2.4
91.05479	19.0
93.07044	30.6
95.04967	10.4
95.08604	29.7
97.06508	5.1
97.10158	10.1
98.97550	4.0
99.04456	3.8
99.08106	14.9
101.06018	13.6
105.07007	22.5
107.08590	50.0
109.02899	2.6
109.06483	5.9
109.10152	100.0
111.08071	10.8
112.84319	2.6
113.05997	4.7
115.05442	4.8
117.07014	14.3
119.08585	21.6
121.06553	3.1
121.10148	16.7
123.04303	3.1
123.08047	4.7
123.11703	42.7
125.09635	17.6
127.07564	2.6
127.11194	33.2
128.06136	2.7
129.07022	3.0
131.05002	3.1
131.08559	20.0
131.93419	2.4
133.10124	19.7
135.11676	35.5
137.09586	8.7
139.11133	3.3
141.07034	4.7
141.12740	3.2
142.07780	3.3
143.08534	4.6
144.09273	2.6
145.06602	3.5
145.10121	24.5
147.11658	6.5
149.13234	14.3
151.03914	3.4
151.11131	12.6
153.12721	13.2
155.08580	5.0
155.10706	3.1
157.10104	3.8
158.10971	2.8
159.08035	4.3
159.11684	34.0
167.14302	37.3
169.07695	2.5
169.10097	4.9
169.12250	41.7
171.11745	4.0
171.13759	5.3
173.05957	7.6
173.09607	6.2
173.11911	3.6
173.13286	21.0
175.14775	14.0
183.11694	5.8
185.15411	5.5
187.03947	3.4
187.07509	2.4
187.11171	3.1
187.14804	14.2
193.15886	19.5
200.04683	12.8
201.05386	4.9
201.09093	5.3
201.12704	5.4
202.98759	2.9
211.07497	4.0
211.11246	4.8
211.14941	4.5
211.16917	67.2
229.04936	6.9
229.08525	21.5
229.12195	20.7
229.14055	4.2
229.16144	14.3
229.19592	54.1
230.12057	2.4
231.61711	2.5
232.40976	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03942	5.0
55.01849	4.9
55.05508	76.7
57.03425	3.9
57.07058	8.3
59.04987	13.4
65.03957	2.4
67.05501	37.7
69.03437	21.1
69.07062	32.6
71.04984	14.0
71.51464	3.9
79.05473	9.1
81.03392	4.0
81.07048	36.3
82.06544	2.1
83.04976	67.7
83.08610	41.7
85.06534	37.3
87.04443	4.4
87.56744	2.2
91.05476	15.5
93.07035	27.2
94.98991	2.1
95.04950	11.1
95.08595	31.1
97.06513	4.9
97.10161	7.7
99.08091	23.2
101.06016	14.5
103.05465	2.4
105.07024	17.4
107.08584	48.1
109.02874	5.0
109.06503	8.3
109.10149	100.0
111.08060	10.1
111.11671	3.3
113.06037	3.9
115.05451	4.5
117.07003	10.1
119.08555	25.2
121.06472	3.7
121.10126	16.4
123.08106	4.1
123.11700	51.4
125.09624	21.2
127.07584	3.6
127.11195	31.7
128.06218	3.1
129.07008	4.5
131.04897	5.2
131.08557	10.7
133.06468	3.2
133.10112	17.1
135.11688	41.2
137.09619	5.1
141.06990	3.5
141.12701	3.6
143.08565	5.8
145.06479	18.1
145.10158	14.1
147.07901	2.5
147.11633	14.6
149.13268	16.8
151.11137	13.0
151.14851	2.9
153.12714	9.7
155.08507	5.7
155.10556	2.6
156.09329	2.6
157.10088	4.2
158.07231	2.5
159.04393	3.2
159.08061	7.8
159.11720	10.7
167.14314	44.1
168.09296	2.9
169.07697	4.9
169.10077	3.6
169.12230	51.0
169.13655	2.6
171.11713	3.1
171.13789	2.4
173.05977	24.4
173.09593	6.2
173.13272	5.2
175.14813	17.7
183.08005	4.0
183.11647	6.3
185.15392	6.2
187.07535	4.3
187.11118	5.1
189.12753	8.3
193.15886	24.9
200.04692	8.9
201.05443	35.8
201.09079	7.2
201.12628	4.4
211.07396	3.6
211.11182	4.1
211.14899	4.7
211.16916	87.2
215.08119	4.5
229.05046	17.5
229.08498	22.8
229.12000	17.5
229.16243	10.4
229.17812	7.0
229.19749	24.0
230.15466	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	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01871	0.5
55.05505	0.3
56.96561	4.2
57.03437	0.6
58.06597	6.7
59.07370	1.5
60.08163	9.3
61.02930	0.6
68.05029	1.4
69.03429	0.5
70.06590	42.9
70.98110	0.5
70.99878	0.3
71.04980	0.3
71.06934	0.3
71.38802	0.5
72.08167	0.6
73.02916	0.9
77.00897	0.2
81.03420	0.4
84.96002	0.3
85.02899	1.0
86.09702	0.3
96.08111	1.9
97.02876	0.7
98.06055	0.8
98.97583	6.6
101.00875	4.6
102.00938	0.3
106.95873	0.3
109.02856	0.3
114.05518	5.0
114.06377	0.2
114.06703	0.4
114.09164	2.5
115.02450	0.4
116.07110	0.9
116.98621	4.5
119.01920	13.0
120.02016	0.6
124.07596	4.4
126.09194	0.7
126.98784	0.3
128.02377	0.3
128.98608	0.6
131.01874	0.4
133.01588	0.3
133.03459	1.0
134.99683	1.9
137.02950	3.1
138.03084	0.3
142.03540	0.5
142.08630	38.0
143.01909	0.6
143.08978	0.4
144.99821	1.1
146.99625	0.5
148.03868	1.0
153.00699	0.4
160.06471	0.6
161.01239	0.3
161.02930	1.1
168.99835	0.6
170.08134	1.7
173.02905	0.4
175.04523	0.4
177.00746	0.4
177.02289	0.3
183.02264	0.3
183.14893	0.4
184.03011	0.3
186.99271	0.4
187.00865	2.7
187.02505	0.4
187.04543	0.3
189.00655	0.3
189.04318	0.6
191.00397	0.3
196.99269	0.4
197.00995	0.4
205.00151	0.3
205.01932	0.6
205.03716	0.3
206.07039	0.6
207.05426	0.4
215.00333	2.0
219.01732	0.4
219.03714	0.3
224.08084	1.0
226.39589	0.3
229.15466	100.0
230.06940	0.4
230.11194	0.3
230.15797	1.9
248.08032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36940	0.2
55.01882	0.6
56.96560	0.6
57.03429	0.7
57.07083	0.3
58.06312	0.4
58.06598	5.9
59.07377	1.5
60.08163	7.9
61.02916	0.5
68.05031	1.4
69.03421	0.6
69.66652	0.8
69.67061	0.5
70.06590	36.2
71.04968	0.5
71.06924	0.4
72.08154	0.5
73.02918	0.5
74.90377	0.2
81.04541	1.6
85.02898	0.6
85.06544	0.6
90.25834	0.2
95.06085	2.8
96.08133	1.9
96.74437	0.2
97.02900	0.4
97.08920	0.2
98.06064	0.9
98.21435	0.3
98.97614	0.7
99.68568	0.2
101.00888	3.1
113.00887	0.2
114.05521	4.3
114.09156	1.7
116.07088	1.0
116.98605	0.3
118.03537	0.2
119.01917	7.5
120.01977	0.4
124.07590	2.9
126.09153	0.5
127.05038	1.5
128.02303	0.3
128.98663	0.2
131.01878	0.8
133.01822	0.3
133.03468	0.7
137.02931	1.3
142.03557	0.4
142.08632	34.5
143.09001	0.3
144.99908	0.5
145.01584	0.3
145.03461	0.3
148.03912	0.6
156.08101	0.3
158.06802	0.3
161.02911	0.5
168.99817	0.9
170.08139	1.4
172.99358	0.3
175.04527	0.5
183.07637	1.2
183.11351	2.2
184.04814	0.2
187.00853	1.9
205.01921	0.4
215.00337	1.4
229.03300	0.7
229.11786	3.5
229.15465	100.0
230.08141	0.3
230.11478	0.3
230.15753	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.88159	0.5
53.06702	0.5
55.05511	8.6
57.03438	19.5
57.07074	1.4
59.04996	5.7
65.03941	1.4
67.05503	100.0
69.07064	1.8
69.20602	5.3
69.21006	0.8
70.06608	0.5
71.04999	4.0
72.99248	0.5
79.05492	1.3
81.07056	13.9
82.01094	0.6
83.08614	6.2
85.06544	3.0
91.05485	6.1
93.07036	4.3
95.04959	0.8
95.08606	5.7
107.08578	2.2
109.10154	84.7
110.10461	1.4
111.08077	3.1
119.08583	7.4
120.41219	0.6
120.50288	0.6
131.04951	0.8
131.08481	0.9
133.10081	0.6
133.40741	0.5
137.09601	3.7
145.10136	0.7
155.10660	3.7
159.11671	1.0
173.11737	25.3
229.08424	1.4
229.12413	1.0
229.14281	23.7
229.19324	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	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	9.0
57.03439	19.0
57.07069	1.4
59.05000	5.1
65.03923	1.2
66.80312	0.7
67.05505	100.0
68.05857	0.8
69.03396	1.4
69.07056	1.9
71.04980	3.2
71.51229	1.2
79.05504	1.5
81.07057	14.2
83.08612	5.8
85.06531	2.8
91.05488	5.5
93.07021	3.3
95.08598	5.9
105.07038	1.6
107.08568	2.4
109.10155	91.3
110.10463	1.5
111.08076	2.9
116.31364	0.8
117.07030	1.2
119.08580	6.6
131.08536	1.2
137.09599	3.2
145.10095	1.0
151.03873	1.1
155.10715	3.1
159.11679	1.3
173.11737	26.5
173.13095	1.0
208.26834	0.9
211.14825	1.1
222.73541	0.8
226.00208	0.7
229.08458	2.0
229.12317	0.8
229.14247	22.9
229.19408	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	229.122
Annotation	3-Hydroxy-4-methoxybibenzyl
Peak:m/z	Relative Intensity
53.03940	0.2
55.05506	1.3
57.03432	2.2
57.07069	0.5
59.04992	0.5
59.87310	0.2
60.08150	0.4
65.03929	1.9
67.02991	0.2
67.05501	12.8
69.03436	0.3
71.04974	0.4
71.51648	0.3
79.05490	0.4
81.07053	1.9
83.08608	1.2
85.06537	0.5
91.05476	100.0
92.05820	0.8
93.07049	0.5
95.08602	0.6
99.00845	0.2
105.07029	0.7
107.08592	0.5
109.10155	10.6
111.08085	0.5
115.05482	0.2
117.07019	0.4
119.08584	0.9
129.06978	0.2
131.08617	0.4
132.08131	0.3
135.08047	0.2
137.09628	0.5
141.07028	0.2
143.08536	0.3
145.06477	0.3
145.10130	0.6
151.07550	1.9
155.08586	0.3
155.10739	0.4
159.11699	0.4
169.10033	0.3
173.05988	0.4
173.11769	2.8
173.13161	0.5
183.11740	0.3
185.13286	0.2
187.07716	0.2
187.11290	0.3
187.14774	0.2
201.09062	0.4
201.16417	0.2
211.10373	0.3
228.26822	0.6
229.05019	0.4
229.08647	1.7
229.12219	2.1
229.14404	2.7
229.16260	0.4
229.19557	0.9
229.23576	0.4
229.27180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	8.0
55.05513	24.2
57.03434	8.2
57.07066	7.5
59.04992	5.0
61.02907	3.6
65.03934	7.4
67.05501	14.5
69.03431	12.4
69.07063	11.9
69.67867	13.6
71.04990	29.1
73.02914	23.2
79.05498	19.2
81.03408	4.4
81.07044	22.3
83.01318	6.9
83.04977	12.1
83.08606	9.4
85.02885	5.1
85.06561	14.3
86.22735	2.5
91.05460	23.9
93.03388	5.6
93.07053	41.1
95.04971	30.5
95.08064	2.5
95.08595	15.8
97.06551	13.7
97.10147	5.1
99.04452	54.3
99.08104	22.6
100.11255	23.7
101.06020	6.9
103.05468	11.2
105.07027	18.7
106.04176	5.5
107.04934	19.6
107.08597	29.7
109.06531	12.6
109.10177	16.4
111.04463	5.3
111.08091	11.0
113.09669	2.9
119.04904	3.7
119.08585	4.5
120.05740	2.4
121.06496	33.0
121.10149	34.3
123.04446	16.9
123.08051	11.3
123.11706	11.7
124.05205	3.2
125.05996	11.4
125.09641	20.9
127.07513	4.7
131.04910	6.2
131.08582	5.7
133.10117	29.6
134.03596	4.1
135.04388	3.7
135.08008	12.3
135.11693	7.6
137.05963	4.7
137.09573	6.1
139.07547	7.3
139.11177	8.1
140.04707	30.2
145.10158	3.7
147.04356	3.9
147.11700	5.3
148.05173	25.5
149.06000	26.3
149.09619	29.4
149.13277	12.1
151.03905	7.6
151.11223	15.7
152.04688	4.1
153.05452	10.8
153.09093	13.6
154.12250	3.4
155.07013	30.4
157.10155	3.5
163.14871	9.2
165.05554	4.8
165.12814	3.8
167.07025	86.8
168.07477	4.0
171.06572	5.9
171.10211	3.7
171.11674	2.8
171.14938	6.1
173.08171	3.5
173.13300	11.2
176.04688	4.4
177.05469	28.5
181.04951	60.0
181.06528	3.7
181.08568	6.1
181.15892	4.1
183.13771	7.0
191.14313	24.1
194.05739	25.4
195.06525	49.6
209.08098	100.0
209.15350	50.4
227.07098	3.5
227.09064	20.5
227.16177	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25249	0.5
55.05511	4.8
57.07078	0.7
60.08156	0.7
67.05511	3.3
69.07047	2.0
69.80476	2.6
79.05501	3.6
81.07053	5.6
83.08609	1.8
86.93220	0.4
91.05477	6.8
93.07053	5.7
95.04963	0.4
95.08608	9.5
97.10151	1.9
98.20853	0.6
105.07027	12.3
107.08589	5.5
109.10154	1.9
115.05458	0.8
117.07014	2.4
119.08583	17.0
121.10157	3.7
125.09634	1.5
128.06200	2.6
129.07011	5.7
130.07774	0.5
131.07739	0.5
131.08600	5.3
133.10135	25.3
141.07024	2.2
142.07768	4.6
143.08556	12.0
145.10126	9.8
147.11717	3.5
155.08540	2.1
156.09338	3.4
157.06482	0.6
157.08815	0.6
157.10127	13.5
158.10899	0.6
159.11690	3.4
169.10130	11.5
170.10901	1.6
171.11691	20.6
172.12308	0.6
181.04932	0.6
183.11697	8.1
184.12471	6.5
185.13255	21.8
186.13942	0.5
193.85365	0.5
197.13274	4.2
198.13968	3.2
199.14825	13.8
212.15610	4.9
227.06984	1.3
227.17940	100.0
228.18309	2.0
228.26822	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01859	2.3
55.05511	10.1
57.03420	1.6
57.07070	3.1
57.08005	0.9
59.05003	5.9
65.03934	1.2
67.05496	6.4
69.03418	4.0
69.07059	7.0
69.14449	0.9
69.90834	2.0
69.91243	3.4
71.04990	38.8
71.45797	1.0
73.02905	6.1
77.49596	1.0
79.05481	5.0
81.03420	2.2
81.07043	13.1
83.04968	3.7
83.08616	8.1
85.02939	2.1
85.06545	13.3
87.04453	4.1
91.05480	6.0
93.07034	10.0
95.04952	4.4
95.08605	11.4
97.05983	0.9
97.06495	4.9
97.10156	1.4
99.04449	100.0
99.08079	2.3
100.11266	3.2
101.06001	2.5
105.07020	7.0
107.04934	1.7
107.08580	19.6
109.06497	3.1
109.10153	10.9
111.08081	1.8
113.09636	3.3
115.07569	1.2
117.07055	1.0
119.08572	4.4
121.06509	2.2
121.10126	10.2
123.04427	1.1
123.08054	9.9
123.11694	25.1
123.12581	1.4
125.02373	1.7
125.05949	1.0
125.09631	7.0
127.07546	1.7
129.07048	1.3
131.08574	3.4
133.10104	13.0
135.08018	2.0
135.11713	3.5
137.09612	1.1
137.13271	1.7
139.07556	2.6
139.11212	4.0
140.04675	6.4
141.09088	2.2
145.10103	2.6
147.11633	4.7
149.05959	1.1
149.09645	1.9
149.13277	9.1
151.11169	6.3
153.09105	2.0
155.07011	10.2
157.08707	1.0
157.10118	1.0
158.10860	1.3
163.14819	3.9
165.12750	1.6
167.07047	7.3
167.10669	2.3
167.14250	1.1
169.12227	6.7
171.10159	1.6
171.11632	1.1
173.13248	8.9
177.05536	1.9
181.04947	17.0
183.13794	13.2
185.04413	1.0
189.37927	0.9
191.14299	7.2
195.32133	0.8
209.08102	4.4
209.15254	7.6
227.07153	2.2
227.08981	1.6
227.16324	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03942	1.6
55.01865	4.4
55.05510	10.1
57.03435	8.3
57.07075	4.2
59.05005	2.9
65.03945	1.7
67.05503	9.2
69.03419	8.0
69.07072	11.6
69.85688	6.8
71.04995	29.5
73.02920	5.3
73.06538	1.1
74.09677	1.4
75.04494	2.3
76.04956	1.1
79.05489	10.5
81.03418	5.2
81.07059	14.1
83.04993	8.5
83.08626	6.2
85.02898	1.7
85.06546	9.6
91.05499	6.7
93.07048	19.8
93.61037	1.1
95.04969	100.0
95.08614	18.3
96.05313	1.3
97.02901	1.2
97.06529	21.5
97.10180	3.4
99.04457	49.4
99.08085	15.3
100.11245	6.5
103.05470	2.1
105.07042	8.5
106.04166	1.2
107.04967	6.8
107.08591	21.5
109.02886	2.7
109.06516	21.3
109.07260	1.4
109.10169	13.2
111.04494	1.7
111.08097	4.8
111.11730	1.2
113.09648	2.5
115.07563	7.1
119.06302	1.2
119.08578	6.9
121.06519	4.6
121.10138	18.5
123.04419	3.2
123.08070	4.9
123.11715	10.4
125.06011	1.6
125.09660	8.1
127.07533	6.5
128.06181	1.5
129.06967	1.6
131.08565	3.9
133.10135	28.0
135.08031	4.1
135.11687	5.5
137.05997	1.7
137.09656	2.0
139.03918	1.4
139.07465	1.5
139.11179	11.6
140.04680	6.8
143.08597	2.7
143.10724	2.8
145.10112	2.5
147.11679	7.2
149.05992	5.0
149.09645	2.2
149.13271	12.4
151.03896	1.6
151.11179	7.6
153.05515	1.2
153.09102	31.2
155.07027	5.7
157.06470	1.3
157.10051	1.5
163.11151	1.5
163.14815	4.7
165.05510	3.8
165.12755	2.1
167.07030	21.8
167.08424	1.9
167.10695	2.7
167.14195	1.4
169.12251	2.0
171.10176	5.4
173.09630	1.3
173.13275	11.6
177.05513	5.9
181.04938	13.0
181.06374	1.8
181.08556	3.0
183.13860	4.1
191.14316	11.9
195.06558	2.4
204.22675	1.2
209.08107	4.2
209.15352	22.1
213.17809	2.0
227.07063	2.2
227.08916	2.4
227.14209	2.2
227.16345	29.6
229.10352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1065
Annotation	(2S)-Flavan-4-ol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01848	1.8
55.05511	4.8
60.72377	0.6
65.03930	0.9
67.05502	3.5
69.03399	0.9
69.07065	1.9
71.52868	0.8
73.02898	0.7
79.05475	3.1
81.07047	1.8
83.04967	1.0
83.08633	1.6
85.06524	0.7
91.05457	2.6
93.07062	1.8
95.04955	2.2
95.08577	1.4
97.10164	2.9
98.32010	0.8
100.11230	1.5
105.07040	1.5
107.04962	9.9
107.08582	2.1
109.10123	1.5
115.05474	1.1
119.04928	2.0
121.02848	2.5
121.06467	1.0
123.04453	1.0
125.09618	2.0
128.06212	2.6
129.06989	4.4
131.04924	5.1
133.10136	0.7
135.04460	1.3
141.06966	0.9
142.07768	1.0
143.08543	4.1
144.05655	2.0
145.06482	4.4
147.04393	6.2
151.03903	1.1
152.06239	4.1
153.07021	6.5
155.08545	0.7
156.09332	1.5
157.06483	31.3
157.10074	1.6
158.07253	2.9
159.04346	2.4
165.05484	2.3
165.07011	4.1
166.07791	7.3
167.07014	1.2
167.08414	1.6
169.06476	3.4
170.07277	7.9
171.08044	10.0
171.11693	2.6
173.05975	7.6
177.05373	1.3
179.08618	0.7
180.05696	4.5
181.04907	2.0
181.06438	8.7
181.10091	6.2
183.08064	1.4
184.05211	1.8
184.08798	8.1
185.05994	5.8
185.09633	6.6
185.13269	1.0
189.11333	1.3
190.07826	1.2
191.08502	2.2
194.07281	27.3
197.05965	7.8
197.09561	1.5
198.06755	21.4
199.07506	5.5
199.11169	30.6
209.09615	85.6
210.09999	2.1
212.08315	11.2
221.57082	0.7
226.06331	0.9
227.07008	6.4
227.10666	100.0
227.12616	5.1
227.17892	4.0
228.11047	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03944	1.2
55.01876	5.9
56.18856	0.7
65.03942	7.2
65.23683	0.9
67.05484	1.8
69.03407	0.9
70.96520	1.5
73.02918	39.6
73.61027	0.7
77.75368	0.7
79.05466	1.0
80.87799	0.7
82.04193	2.9
85.02898	3.5
87.42235	0.8
91.05464	1.8
93.03399	3.1
94.09338	0.8
95.04964	5.8
97.06522	2.8
100.80375	0.7
108.02101	1.3
110.03631	3.7
111.04425	1.9
116.27632	0.7
121.06503	1.4
123.04436	9.0
125.02322	3.1
125.05982	2.0
138.03108	2.2
140.04680	53.5
141.05011	0.7
142.02606	2.8
153.05457	2.8
155.07028	55.4
163.53354	0.8
167.06946	1.3
171.06551	5.4
173.08107	4.6
179.07018	2.8
181.04956	100.0
181.08322	4.1
182.05328	2.0
201.80949	0.8
204.17744	0.8
209.08089	18.7
227.09131	14.4
238.93954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
52.04792	0.4
53.03934	0.6
55.01870	4.9
55.05537	0.4
57.18901	0.4
65.03934	7.3
67.05498	2.9
68.69961	0.5
69.03429	1.6
69.07063	0.8
69.91333	2.5
71.02442	0.4
73.02914	37.8
79.05479	1.0
82.00527	0.9
82.04179	2.3
84.63362	0.5
85.02897	4.4
91.03961	0.7
91.05467	1.8
93.03395	1.6
93.07015	2.0
95.04962	5.3
97.02895	1.0
97.06519	1.7
98.20897	1.0
102.87447	0.4
103.05476	0.9
107.04929	0.6
108.02055	1.0
110.03667	3.4
111.04432	1.7
121.06473	1.3
123.04430	8.4
125.02343	2.4
125.06022	2.4
138.03128	2.3
140.04675	50.7
142.02615	2.8
147.47629	0.4
151.03932	0.6
153.05453	3.0
155.07018	54.3
156.07355	0.8
166.06268	0.8
167.07021	2.6
171.06526	4.6
173.08112	3.3
177.05515	0.6
179.07025	2.8
181.04945	100.0
182.05356	2.5
209.08089	18.3
227.09122	13.6
229.96469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03939	1.3
55.01871	5.7
65.03939	7.8
65.28001	0.5
67.05510	3.8
68.97394	0.6
69.03416	1.5
70.76919	1.7
70.77267	0.6
73.02915	38.7
79.05477	1.5
81.07039	0.9
82.04185	2.9
85.02911	4.6
91.05471	1.3
93.03400	2.8
93.07021	1.7
95.04964	5.4
97.06493	1.8
103.05415	0.6
107.04958	0.7
107.08573	0.7
108.02107	1.3
109.06464	0.6
110.03674	3.8
111.04421	1.3
121.06499	1.4
121.10159	0.6
123.04421	8.0
125.02372	3.0
125.05983	1.8
125.09628	0.7
138.03101	1.7
140.04678	53.8
140.25121	0.6
142.02602	3.2
146.89163	0.5
153.05452	3.9
155.07027	56.4
156.07368	1.0
163.11263	0.6
166.06215	0.9
167.07039	1.2
171.06535	5.2
173.08098	3.9
179.07025	2.9
181.04945	100.0
181.08313	3.7
182.05315	1.9
209.08084	16.4
227.09125	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	226.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03702	1.0
55.01869	5.9
55.05508	2.2
56.96566	32.5
57.03440	14.1
58.99858	4.2
59.04984	1.6
61.02924	37.2
67.05492	3.3
68.98303	2.5
69.03430	18.5
69.07052	3.0
70.06579	3.0
70.42891	2.3
70.43281	1.9
71.01311	1.5
71.04988	2.9
71.95266	6.2
72.04516	1.1
72.96029	1.7
73.02916	25.4
77.00903	8.0
79.05492	3.1
81.03408	6.9
81.07053	1.3
82.99849	2.0
83.04967	2.9
83.06099	2.7
84.04501	2.9
84.08117	2.3
84.96025	2.7
85.02902	26.5
85.06535	1.9
86.06065	2.5
86.99324	4.0
87.04476	1.4
88.02703	2.1
88.03967	5.0
89.00876	2.7
91.02383	1.2
91.05486	1.6
92.24175	1.1
94.31974	1.4
95.01377	2.4
95.01946	3.4
95.04960	2.4
96.04482	3.3
97.02872	16.9
98.97583	14.7
99.04428	5.6
100.02512	2.0
100.07594	1.3
101.00875	25.4
103.02438	3.2
105.00362	6.2
107.01894	1.1
107.04951	5.3
108.04457	1.2
108.08120	1.3
109.02853	7.0
110.01274	3.8
110.06017	4.5
110.97576	2.4
111.02898	2.5
111.04451	2.0
112.07597	3.5
113.00859	8.0
113.02371	6.8
115.02429	14.6
115.03812	1.5
116.07082	1.4
116.98617	9.9
118.01098	3.9
118.03547	3.1
119.01909	100.0
120.00734	1.6
120.02024	5.8
120.03442	2.7
120.04379	1.1
120.05576	3.8
120.53508	1.3
121.01649	4.9
121.03441	3.3
121.06484	1.5
123.01375	2.7
123.02892	1.6
123.04480	1.6
124.02491	1.6
124.18642	1.0
125.05936	1.0
125.07091	1.8
127.01566	1.6
127.02406	5.2
127.03905	10.7
128.02278	4.6
128.98573	3.0
129.00244	1.6
129.03117	1.2
129.03944	6.7
130.08647	3.9
131.01903	53.2
132.01985	1.6
133.01651	2.1
133.03455	25.1
134.03644	1.2
134.06017	2.2
134.99638	6.0
135.01334	1.5
135.05066	1.2
136.03856	2.2
136.07562	4.9
137.01868	1.4
137.02933	21.2
137.05920	1.3
138.05440	2.2
139.02437	2.9
140.03419	8.8
140.04614	2.2
141.01257	2.1
141.04015	1.3
142.03505	9.7
142.96530	4.4
143.00172	1.6
143.01891	23.0
144.99818	1.6
145.03453	56.0
146.04990	3.8
146.99643	5.3
147.01378	7.4
147.03175	1.4
147.05031	16.0
149.02927	14.1
149.05872	1.5
150.01790	6.1
151.04504	3.1
152.02167	1.4
152.07059	3.6
153.04077	1.5
154.03671	2.0
154.04706	2.3
154.06538	1.7
155.01881	38.6
155.03093	2.3
155.06979	2.7
156.02716	3.7
156.05063	2.3
157.02275	1.7
157.03473	23.4
158.06569	2.0
158.99664	3.6
159.01213	1.7
159.04987	2.6
160.04559	3.0
160.97585	5.3
161.01189	4.1
161.02951	46.2
162.03014	2.3
163.04514	13.4
164.06906	1.6
165.00728	1.2
165.06071	2.2
166.03409	3.4
166.04942	2.4
167.01917	4.9
167.06989	8.3
168.05045	5.1
168.99719	2.2
169.03561	6.9
170.01477	2.1
170.06607	1.5
170.99661	1.8
171.01392	3.9
171.05074	2.4
173.02954	73.5
174.03145	3.7
174.04602	1.8
174.99072	2.9
175.03242	2.2
175.03693	2.0
175.04640	10.7
176.04765	1.4
177.00716	4.8
177.02426	5.7
178.03468	3.3
179.02618	1.7
179.04108	2.2
180.05052	3.8
180.06578	5.7
180.10162	1.9
181.03500	2.0
181.04872	6.0
182.04437	4.1
183.03116	1.5
184.04572	6.9
185.02942	32.9
185.04584	1.7
185.06509	1.4
186.03119	2.5
186.06166	1.7
186.99321	1.2
187.00894	4.9
187.03024	1.4
187.04543	6.9
188.03415	1.8
188.97043	16.2
189.00691	5.3
189.02460	4.2
189.06042	1.8
190.98788	1.7
191.03949	9.4
193.00159	3.0
193.09326	3.1
195.01662	1.3
196.04555	17.7
197.03922	1.3
198.06174	1.6
199.04495	4.2
200.07628	1.8
201.00702	2.7
201.06169	1.8
202.05746	1.2
202.09254	2.3
202.98636	3.1
203.02264	3.8
203.03990	46.2
204.04250	2.1
205.00182	2.1
205.02003	2.0
205.04453	1.9
206.02600	4.0
206.98106	15.3
208.04454	2.9
208.06087	6.7
208.09624	1.3
209.02945	1.3
209.12950	2.0
211.98640	1.6
213.02524	1.5
214.05608	1.9
215.00439	3.0
215.03384	2.7
217.01926	1.2
219.01779	2.7
220.99687	2.7
221.03383	3.8
221.05058	89.6
222.05225	3.3
224.99144	2.2
226.02153	1.3
226.05373	13.3
226.07245	3.2
226.09285	1.4
226.10678	4.0
226.15665	2.1
227.04210	2.0
227.06627	12.3
227.10297	1.8
228.05017	23.4
229.99695	2.0
231.07188	1.6
235.06631	1.9
237.02798	2.6
239.06189	3.0
244.04330	1.7
244.06667	22.2
245.05083	2.9
247.02948	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	2.6
55.01865	3.0
55.05509	9.4
57.03427	5.1
57.07081	7.5
59.04994	2.3
63.87659	1.1
65.03944	5.2
67.01862	1.7
67.05498	12.6
69.03432	6.4
69.07067	9.6
69.58473	6.5
69.58881	2.5
71.01343	1.5
71.04990	10.8
71.08608	2.0
77.03943	2.4
79.05499	6.6
81.03405	1.4
81.07050	22.6
83.01333	5.3
83.04975	11.9
83.08609	5.6
85.02908	20.9
85.06540	7.9
87.04426	1.7
89.03882	1.4
91.05475	64.6
91.30206	1.3
93.07042	13.2
95.04978	8.2
95.08602	30.7
97.06533	5.0
98.20771	1.9
98.97559	1.4
99.04441	5.1
99.08121	2.6
103.05472	3.5
105.03394	4.9
105.07047	13.7
107.04948	4.5
107.08583	14.3
108.05746	3.2
109.06544	7.9
109.10143	17.0
111.04476	1.9
111.08082	4.5
113.06011	2.7
113.09647	4.4
115.05468	2.5
117.07052	1.3
118.04178	9.2
119.04938	65.7
119.08573	17.9
121.02831	1.8
121.06527	1.9
121.10151	16.7
122.07264	2.2
123.04452	4.1
123.08064	17.2
123.11696	24.1
125.05984	6.5
125.09642	4.8
127.07574	1.6
129.03355	1.6
131.08606	2.2
132.02080	4.7
133.02820	2.1
133.06439	2.1
133.10130	7.3
135.04408	1.3
135.08041	4.3
135.11696	5.5
137.05992	9.1
137.09607	23.7
137.13249	5.9
139.03882	10.8
139.07529	2.3
139.11142	6.3
140.32874	1.4
141.06982	10.4
141.09059	2.6
145.02847	2.2
145.10086	2.6
146.03600	2.4
147.04404	46.7
147.08018	1.5
147.11678	7.9
149.02335	6.2
149.09612	20.7
149.13261	3.7
151.03931	1.5
151.07541	16.2
151.11211	3.2
152.06277	1.5
153.05467	1.9
153.06938	1.8
153.09097	2.9
155.03322	3.3
155.07069	2.2
155.08430	2.1
155.10660	4.9
156.09335	1.5
157.03944	6.9
161.09627	3.5
161.13226	9.5
163.03900	2.7
163.11183	2.8
164.04668	7.2
165.05507	6.9
165.09103	74.6
165.12737	28.6
166.09407	1.3
167.07047	2.9
167.10654	28.2
169.06477	4.1
169.08583	3.1
169.10081	3.3
170.09297	1.3
171.11726	2.6
174.03177	3.4
174.10454	1.9
174.30913	1.1
175.03897	80.5
176.04272	1.9
177.01854	2.7
179.07018	5.9
179.14244	6.3
180.04170	2.0
181.08672	1.2
181.12094	2.0
182.07431	1.5
183.06548	2.5
183.11667	2.3
189.12730	16.6
189.16371	3.5
192.04163	29.3
193.04871	2.6
195.11792	1.7
197.05977	25.1
197.09634	1.5
207.06523	100.0
207.13788	32.0
207.17239	2.9
208.06815	2.4
210.06879	1.7
225.05533	30.0
225.07439	2.5
225.09140	4.7
225.10927	8.8
225.14743	29.0
225.18158	7.7
226.05881	2.0
238.95671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03932	2.9
55.01863	3.6
55.05503	9.1
57.03421	1.8
57.07063	4.1
59.04977	2.7
59.25329	1.6
65.03938	3.1
67.05503	27.7
69.03428	100.0
69.07062	11.6
69.64742	11.2
71.04996	2.6
72.15135	1.9
79.05496	18.4
81.03401	5.8
81.06601	2.2
81.07051	38.9
83.04978	8.6
83.08591	5.0
85.02857	2.2
87.39281	1.6
91.05476	20.4
93.07047	21.1
95.04966	18.2
95.08605	24.2
97.02876	2.5
97.06523	9.6
98.20841	2.3
99.04422	1.8
103.05468	1.8
105.03371	2.0
105.07028	51.2
107.04935	5.0
107.08594	15.7
109.06513	22.3
109.10131	12.2
110.07251	3.0
111.08078	7.5
117.06998	3.8
119.04951	10.3
119.08587	28.3
121.06479	6.0
121.10135	23.6
122.07271	7.0
123.04423	18.1
123.08069	11.4
123.11669	3.6
125.09615	3.3
129.06944	1.7
131.08559	4.3
133.06493	12.2
133.10124	53.5
135.08069	3.2
135.11664	5.1
137.05951	6.0
137.09605	46.1
139.11189	20.2
141.06960	2.5
143.08455	2.0
145.10106	6.1
147.04396	5.2
147.08011	7.8
147.11671	35.2
149.09566	2.1
151.07521	9.3
151.11217	3.0
156.09355	7.9
159.08099	4.8
159.11665	2.3
161.09608	2.0
161.13263	16.6
163.11159	9.0
165.09064	5.3
165.12737	3.6
170.01871	1.6
171.11665	9.4
174.10402	10.3
175.03859	8.3
179.06976	2.2
181.12236	3.8
183.06474	2.0
189.12720	19.9
192.04155	4.6
207.06531	12.0
207.13802	25.5
225.14854	6.3
239.74321	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	225.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	2.3
51.41159	2.0
53.03942	5.9
55.01866	2.7
55.05501	6.1
57.07058	3.1
65.03928	7.9
67.05505	10.4
69.03423	5.0
69.07066	5.1
69.96749	7.4
71.04990	4.1
77.03918	3.1
79.05480	5.8
81.07047	16.9
83.04983	6.1
83.08636	2.6
84.65305	1.7
85.02390	1.9
85.02905	50.5
91.05479	64.6
92.05829	2.3
93.07047	6.3
95.04967	25.1
95.08581	12.3
97.02921	2.3
97.06510	3.5
99.04459	6.3
99.08098	2.3
103.05408	3.9
105.03369	2.5
105.07021	7.2
107.04959	4.5
107.08587	8.1
108.05704	1.9
109.02850	2.2
109.06507	6.3
109.10152	9.9
117.06966	2.5
118.04160	8.2
119.04940	69.8
119.08591	10.1
120.05470	1.7
121.02891	2.0
121.06517	5.1
121.10135	11.3
122.03677	2.7
123.04418	23.4
123.07240	1.9
123.08060	12.1
123.11700	36.6
125.05955	6.3
125.09547	2.2
127.09585	1.8
132.02051	3.1
133.02834	2.6
133.10110	3.2
135.04358	2.2
135.08060	2.9
136.05205	3.3
137.05962	2.6
137.09604	9.3
139.03893	3.3
139.07520	2.9
140.04677	6.7
145.10138	2.3
146.03639	2.8
147.04401	50.1
147.08070	3.4
147.11707	6.5
149.02328	8.9
149.09546	6.3
151.03932	4.4
151.07494	12.1
153.05420	3.8
155.07048	10.7
156.09331	2.3
157.03996	2.7
159.11632	2.1
161.05940	2.5
161.13205	4.0
163.11098	2.6
164.04744	4.2
165.05489	5.2
165.09122	6.5
165.12697	3.3
167.07068	3.1
168.07834	2.0
173.03006	2.2
174.03117	2.6
175.03902	76.3
177.01877	3.3
179.07018	5.8
179.14363	3.5
183.06532	22.8
189.12730	7.7
192.04155	25.2
193.04735	2.6
193.08592	10.3
197.06104	1.9
207.06516	100.0
207.13805	17.9
208.06760	2.7
225.07541	5.0
225.09346	2.8
225.11087	4.2
225.14825	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01863	3.6
55.05503	9.1
57.03421	1.8
57.07063	4.1
59.04977	2.7
59.25329	1.6
65.03938	3.1
67.05503	27.7
69.03428	100.0
69.07062	11.6
69.64742	11.2
71.04996	2.6
72.15135	1.9
79.05496	18.4
81.03401	5.8
81.06601	2.2
81.07051	38.9
83.04978	8.6
83.08591	5.0
85.02857	2.2
87.39281	1.6
91.05476	20.4
93.07047	21.1
95.04966	18.2
95.08605	24.2
97.02876	2.5
97.06523	9.6
98.20841	2.3
99.04422	1.8
103.05468	1.8
105.03371	2.0
105.07028	51.2
107.04935	5.0
107.08594	15.7
109.06513	22.3
109.10131	12.2
110.07251	3.0
111.08078	7.5
117.06998	3.8
119.04951	10.3
119.08587	28.3
121.06479	6.0
121.10135	23.6
122.07271	7.0
123.04423	18.1
123.08069	11.4
123.11669	3.6
125.09615	3.3
129.06944	1.7
131.08559	4.3
133.06493	12.2
133.10124	53.5
135.08069	3.2
135.11664	5.1
137.05951	6.0
137.09605	46.1
139.11189	20.2
141.06960	2.5
143.08455	2.0
145.10106	6.1
147.04396	5.2
147.08011	7.8
147.11671	35.2
149.09566	2.1
151.07521	9.3
151.11217	3.0
156.09355	7.9
159.08099	4.8
159.11665	2.3
161.09608	2.0
161.13263	16.6
163.11159	9.0
165.09064	5.3
165.12737	3.6
170.01871	1.6
171.11665	9.4
174.10402	10.3
175.03859	8.3
179.06976	2.2
181.12236	3.8
183.06474	2.0
189.12720	19.9
192.04155	4.6
207.06531	12.0
207.13802	25.5
225.14854	6.3
239.74321	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	225.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01879	1.9
55.05499	4.4
57.03429	2.5
57.07060	1.8
58.73119	1.1
59.04989	1.8
61.02930	1.6
65.03934	5.0
67.05505	8.9
69.03420	5.8
69.07072	6.3
71.05003	7.0
71.51382	1.7
77.03918	1.9
79.05492	7.3
79.05883	1.2
81.03413	2.5
81.07047	9.5
82.57314	1.2
83.04981	6.9
83.08609	2.2
85.02904	7.5
85.06543	2.4
85.85842	1.2
87.04454	1.3
91.05478	63.4
93.07041	7.4
95.04964	14.1
95.08620	8.3
97.02885	3.4
97.06528	2.3
98.21091	1.6
99.04462	7.5
103.05450	2.9
105.03366	4.9
105.07027	11.9
107.04941	3.2
107.08585	8.8
109.06522	7.5
109.10155	15.2
109.71976	1.2
111.08052	1.6
115.05449	4.3
118.04128	5.8
119.04944	56.3
119.08589	10.1
121.02850	3.0
121.06510	4.4
121.10155	12.1
123.04433	10.3
123.08062	10.6
123.11707	5.0
125.05988	10.1
125.09599	1.7
127.07504	2.1
129.03400	2.3
131.04840	1.8
132.02065	4.3
133.02838	1.3
133.06488	1.5
133.10123	6.6
135.04407	2.4
135.08020	2.2
135.11748	1.7
136.05209	1.9
137.05943	2.4
137.09599	9.6
139.03891	2.7
139.11198	2.2
140.04678	1.9
141.06990	20.4
143.08513	2.6
145.10120	1.8
147.04404	48.3
147.07991	2.9
147.11679	7.8
149.02332	6.9
149.06032	1.9
149.09616	22.8
151.03871	3.7
151.07512	3.5
151.11211	2.7
155.06987	2.3
156.09326	1.4
157.03972	5.3
157.06451	1.3
159.11700	1.7
161.13245	7.5
163.03960	1.8
163.11209	3.0
164.04681	6.7
165.05458	2.8
165.09113	8.5
165.12744	6.9
167.07037	21.0
167.10698	4.2
168.05701	2.2
169.06491	18.5
169.08640	3.1
169.10127	5.5
171.11693	1.8
175.03905	79.7
177.01788	2.2
179.03470	2.3
179.06990	6.2
179.14296	1.5
180.04121	1.7
181.12305	2.1
183.06601	7.1
189.12724	9.0
190.33247	1.2
192.04166	28.8
193.04958	2.4
197.05980	86.3
207.06523	100.0
207.13853	9.8
225.04004	9.5
225.05624	63.4
225.11206	1.5
225.14821	19.8
225.18488	1.5
226.05745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03947	1.0
53.36745	0.8
55.01841	0.9
55.05493	1.8
65.03925	4.3
67.05488	2.1
69.03405	1.0
69.07048	2.2
70.84377	2.3
71.04974	1.8
77.03924	1.9
79.05482	1.6
81.07035	3.0
83.04972	1.3
85.02888	1.6
89.03906	2.0
91.05476	61.2
92.05753	0.8
93.03408	0.9
93.07022	2.5
95.04954	4.5
95.08579	3.4
97.06510	0.8
99.04432	1.1
103.05428	2.3
104.02589	1.1
105.03367	2.9
105.04526	0.9
105.07019	0.9
107.04938	2.4
107.08581	2.3
108.05729	1.1
109.06493	2.3
109.10133	2.2
118.04145	7.5
119.04939	58.8
119.08559	1.8
120.05236	1.1
121.02840	2.1
121.06495	1.7
121.10136	1.2
123.04389	3.3
123.08050	1.4
123.11700	2.1
125.05942	1.4
129.03339	1.3
131.04947	1.2
132.02118	4.8
133.02824	2.3
133.10114	0.8
135.04393	2.2
136.05186	2.5
137.05966	2.9
137.09595	1.6
139.03902	2.0
140.04675	0.8
147.04404	53.1
147.11646	2.0
149.02342	9.5
149.06004	0.8
149.09576	1.2
151.03868	1.3
151.07553	1.9
153.05440	2.9
155.06969	1.0
157.03978	5.5
161.13264	1.3
163.03900	2.2
164.04669	7.2
165.05420	1.0
165.12735	1.8
167.07053	5.1
167.10695	0.7
174.03149	2.1
175.03899	82.4
176.04292	1.3
177.01816	2.5
179.07036	7.7
180.04227	0.9
183.06427	3.1
183.07906	0.8
189.12801	1.0
192.04158	29.3
193.04823	2.5
207.06516	100.0
207.13745	1.9
208.06889	1.9
208.53052	0.8
225.05499	1.4
225.07509	2.6
225.14772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02379	1.2
53.03927	1.1
54.34568	0.7
58.82098	0.6
63.17849	0.6
65.03934	3.9
67.05513	1.0
70.15175	2.8
77.03932	1.5
79.05485	1.1
89.03896	1.8
89.80161	0.7
90.11205	0.6
91.05476	63.1
95.04962	1.8
95.08603	0.7
98.20826	0.7
103.05460	2.1
104.02538	0.8
105.03391	1.0
107.04947	2.1
108.05735	0.8
118.04176	6.3
119.04936	65.1
121.02853	2.1
121.06560	0.9
122.03741	0.7
123.04411	1.6
129.03340	0.9
132.02080	6.0
133.02844	1.4
135.04425	1.6
136.05194	1.6
137.06010	1.0
139.03929	0.6
145.02852	2.3
146.03600	2.0
147.04405	50.2
149.02318	9.4
150.03192	0.8
151.03957	1.1
153.05453	1.7
157.04001	4.4
160.01587	0.8
163.03894	2.1
164.04694	7.2
167.07062	2.0
174.03133	1.4
175.03900	85.0
176.04315	1.3
177.01833	3.1
179.07040	5.6
181.04935	0.7
183.06572	1.1
192.02771	0.5
192.04167	29.9
207.06519	100.0
208.06888	1.3
239.93097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05487	2.5
57.03430	1.0
57.07066	1.0
59.75777	0.9
65.03928	3.6
67.05487	2.2
68.11762	1.0
69.03432	1.4
69.07056	2.7
69.35864	4.6
69.36285	4.4
71.04972	2.6
79.05480	2.7
81.07056	5.1
83.04967	1.9
83.08616	2.0
85.02893	1.0
85.06503	1.4
89.03912	1.9
91.05477	52.7
93.07027	3.0
95.04969	4.7
95.08604	4.5
97.06516	2.5
99.04445	6.1
103.05462	1.7
105.03394	2.4
105.07027	3.2
106.98829	0.9
107.04952	1.6
107.08572	3.6
108.05712	0.9
109.06515	3.9
109.10138	2.0
117.03428	1.2
118.04144	5.3
119.04939	51.6
119.08518	2.6
121.02863	2.1
121.06496	2.1
121.10118	3.8
123.04414	2.4
123.08021	3.4
123.11659	1.8
125.09621	1.6
132.02057	3.7
133.02824	1.1
133.06479	1.1
133.10109	1.1
135.04393	3.2
136.05196	2.9
137.05983	5.5
137.09601	1.5
139.11157	1.0
141.06972	1.6
145.02817	1.7
146.03563	1.7
147.04407	42.6
147.11696	2.2
149.02335	8.6
149.09630	5.1
151.07539	3.3
153.05432	1.3
153.06978	1.2
157.03940	4.1
161.13274	1.3
163.03885	1.6
164.04767	5.6
165.05493	2.2
165.09094	2.2
165.12772	2.9
167.07069	6.4
167.10661	2.0
169.10162	2.3
175.03900	77.9
176.04298	1.1
177.01794	4.4
178.07797	3.7
178.11301	1.0
179.07011	11.0
179.08563	10.3
179.95912	1.1
181.06436	2.1
181.08565	1.5
182.07295	6.0
183.06526	2.1
183.13727	1.0
189.12781	2.4
192.04167	24.9
193.04842	1.6
197.09622	10.5
198.67966	1.2
207.06508	100.0
207.13757	3.4
208.06779	1.4
210.06775	7.5
225.09192	18.5
225.14841	4.1
226.09634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05633	1.7
52.29424	1.5
53.03942	3.8
55.01862	6.4
55.05509	13.5
57.03431	3.0
57.07058	2.0
59.04996	1.7
60.38674	1.6
61.02930	2.1
65.03937	4.7
67.05514	9.7
68.99791	3.6
69.03418	14.7
69.07058	7.1
71.04991	12.6
71.51400	1.7
77.03922	3.5
79.05505	9.9
81.03423	1.9
81.07047	15.1
83.04977	11.1
83.08607	4.2
85.02913	9.8
85.06539	3.1
87.04460	4.7
88.61681	1.5
89.03892	3.6
91.05479	68.5
93.07040	10.7
95.04962	18.5
95.08601	12.9
97.02873	3.3
97.06523	5.3
97.10152	2.2
98.97523	2.0
99.04446	26.9
99.08027	1.6
103.05449	4.3
105.03400	6.3
105.07026	16.7
107.04946	4.8
107.08612	18.2
109.06507	15.3
109.10155	8.6
111.04455	5.3
111.08085	3.1
113.09712	2.2
118.04160	6.8
119.04933	60.9
119.08562	8.3
121.02853	6.3
121.06525	3.1
121.10126	12.5
122.03666	1.9
123.04426	20.9
123.08063	17.1
123.11702	8.2
125.05996	8.0
125.09627	3.6
129.03357	2.2
129.06992	1.9
132.02074	4.5
133.02867	2.0
133.06497	8.8
133.10127	5.2
135.04390	2.0
135.08066	5.0
135.11678	1.9
136.05176	3.8
137.05980	9.9
137.09593	7.3
139.03889	3.4
139.07504	4.1
139.11197	10.2
140.04642	2.4
141.06964	4.6
143.08585	3.0
145.02814	2.1
147.04405	53.1
147.08002	2.1
147.11688	7.9
149.02368	9.2
149.09641	6.4
150.27892	1.6
151.03893	14.2
151.07539	10.6
151.11137	1.8
153.05498	3.1
153.06989	3.7
154.07782	5.2
155.03313	1.9
155.07108	2.6
157.03972	3.8
161.05997	8.9
161.13263	5.0
163.03947	2.1
164.04715	5.4
165.05496	4.7
165.06935	4.1
165.09073	12.8
165.12721	15.0
167.07100	4.5
167.10626	8.5
169.06485	3.3
169.10168	4.7
171.11707	1.7
174.03214	2.4
174.10414	1.7
175.03906	85.5
177.01959	2.2
178.02826	1.7
178.07716	9.9
179.07037	12.4
179.08585	30.1
180.04199	2.3
181.06500	6.1
181.08598	1.9
181.12186	2.2
182.07274	18.5
183.06528	15.5
183.07935	2.7
183.13803	6.5
189.12761	4.8
192.04163	27.0
192.05858	2.8
193.04982	2.3
193.08598	63.6
197.06021	10.1
197.07788	2.7
197.09618	26.6
197.11380	1.9
207.06494	100.0
207.13756	15.0
208.06914	2.1
210.06740	24.7
225.05836	10.8
225.09138	70.8
225.11160	10.7
225.14735	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	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03925	2.9
55.01862	1.3
55.05507	5.1
65.03925	4.2
67.05500	9.4
67.42912	1.7
69.03424	6.5
69.07054	1.6
69.63556	5.9
69.63964	3.3
71.04980	4.9
77.03935	2.3
79.05489	3.9
81.03422	2.0
81.07050	7.6
83.04964	5.0
83.08611	1.7
85.02904	12.4
89.03908	2.2
91.05480	59.5
93.07053	6.0
95.04960	15.6
95.08601	9.9
97.02893	3.1
97.06513	3.2
98.97575	1.6
99.04475	6.8
103.05460	4.0
105.03404	4.1
105.07028	7.7
107.04971	5.3
107.08583	7.4
108.05730	2.6
109.06509	7.5
109.10147	6.3
111.04452	1.9
118.04154	6.6
119.04940	59.1
119.08562	7.8
121.02831	2.8
121.06506	4.8
121.10123	7.4
123.04418	11.4
123.08089	11.6
123.11700	10.2
125.05984	4.7
131.08563	2.4
132.02098	4.3
133.02827	1.7
133.06523	1.9
133.10149	4.1
135.04369	1.9
135.07996	1.5
135.11661	3.4
136.05215	3.1
137.05983	4.0
137.09544	7.3
137.13211	1.8
139.03893	5.6
141.09116	2.5
144.97858	1.6
146.03630	1.6
147.04408	55.5
147.11694	2.7
149.02327	7.8
149.09631	7.2
151.03888	5.0
151.07550	8.0
153.05493	3.3
155.07037	4.9
157.03975	5.6
161.13275	4.1
163.03917	2.4
163.11176	3.8
164.04663	4.6
165.05412	2.6
165.09135	4.4
165.12726	2.5
167.07039	3.4
175.03903	84.6
177.01868	3.5
179.03528	1.5
179.07019	8.7
179.10594	2.6
179.14323	2.7
180.04195	1.8
181.08626	1.5
183.06535	12.8
184.36623	1.3
189.12747	4.5
192.04152	30.3
193.05009	3.9
193.06978	1.6
193.08575	7.1
207.06520	100.0
207.13800	8.2
208.06819	2.0
225.07481	3.4
225.11130	3.0
225.14804	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	225.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
53.03931	4.7
55.01851	5.2
55.05494	6.4
57.03417	2.2
57.07070	2.9
59.85857	1.6
65.03933	4.6
67.05502	10.3
69.03422	5.8
69.07053	4.2
70.63792	4.7
71.04986	6.3
72.22389	1.5
77.03891	1.9
79.05479	6.7
81.03426	3.0
81.07054	18.1
83.04984	5.9
83.08628	2.8
84.26004	1.4
85.02904	51.3
85.06509	3.0
89.03897	2.3
91.05477	72.4
91.56442	1.7
92.05855	1.7
93.07043	8.4
94.51718	1.7
95.04967	28.5
95.08593	11.3
97.06502	4.8
99.04455	6.0
103.05457	4.6
105.03387	2.5
105.07040	9.8
107.04931	5.1
107.08550	8.8
108.05687	2.7
109.06496	6.9
109.10169	11.9
109.10913	1.4
111.04464	2.3
111.08143	1.8
117.07050	1.8
118.04162	6.5
119.04935	67.6
119.08566	11.0
121.02859	2.3
121.06506	6.8
121.10169	8.5
123.04428	28.7
123.08073	11.1
123.11700	37.0
125.05980	7.9
125.09592	2.2
129.03394	2.2
132.02061	5.4
133.02899	3.1
133.06467	3.1
133.10106	3.7
135.04393	3.1
135.08044	1.8
135.11635	2.3
136.05193	4.4
137.06000	5.2
137.09610	4.4
139.03900	2.1
139.07538	3.8
140.04657	8.0
146.03593	2.2
147.04402	55.7
147.08009	3.4
147.11688	4.2
149.00275	1.4
149.02328	8.3
149.05948	2.4
149.09628	9.6
151.03944	4.0
151.07538	14.0
151.11122	1.8
153.05473	4.2
155.07010	15.0
157.03978	5.0
157.19995	1.7
159.11720	1.9
161.05998	1.7
161.09622	1.9
161.13220	4.7
163.03917	2.3
163.11208	3.4
164.04686	8.2
165.05501	3.2
165.09119	6.9
165.12717	3.6
167.07027	5.1
175.03899	82.1
177.01881	4.3
179.07014	7.5
179.08484	2.1
181.12189	2.2
183.06532	22.3
189.12718	3.9
192.04167	29.3
193.05014	3.2
193.08562	14.6
207.06520	100.0
207.13800	13.9
207.15584	2.3
225.07520	6.5
225.11124	3.6
225.14917	12.7
228.66777	1.6
234.34938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02367	2.0
53.03931	4.7
55.01851	5.2
55.05494	6.4
57.03417	2.2
57.07070	2.9
59.85857	1.6
65.03933	4.6
67.05502	10.3
69.03422	5.8
69.07053	4.2
70.63792	4.7
71.04986	6.3
72.22389	1.5
77.03891	1.9
79.05479	6.7
81.03426	3.0
81.07054	18.1
83.04984	5.9
83.08628	2.8
84.26004	1.4
85.02904	51.3
85.06509	3.0
89.03897	2.3
91.05477	72.4
91.56442	1.7
92.05855	1.7
93.07043	8.4
94.51718	1.7
95.04967	28.5
95.08593	11.3
97.06502	4.8
99.04455	6.0
103.05457	4.6
105.03387	2.5
105.07040	9.8
107.04931	5.1
107.08550	8.8
108.05687	2.7
109.06496	6.9
109.10169	11.9
109.10913	1.4
111.04464	2.3
111.08143	1.8
117.07050	1.8
118.04162	6.5
119.04935	67.6
119.08566	11.0
121.02859	2.3
121.06506	6.8
121.10169	8.5
123.04428	28.7
123.08073	11.1
123.11700	37.0
125.05980	7.9
125.09592	2.2
129.03394	2.2
132.02061	5.4
133.02899	3.1
133.06467	3.1
133.10106	3.7
135.04393	3.1
135.08044	1.8
135.11635	2.3
136.05193	4.4
137.06000	5.2
137.09610	4.4
139.03900	2.1
139.07538	3.8
140.04657	8.0
146.03593	2.2
147.04402	55.7
147.08009	3.4
147.11688	4.2
149.00275	1.4
149.02328	8.3
149.05948	2.4
149.09628	9.6
151.03944	4.0
151.07538	14.0
151.11122	1.8
153.05473	4.2
155.07010	15.0
157.03978	5.0
157.19995	1.7
159.11720	1.9
161.05998	1.7
161.09622	1.9
161.13220	4.7
163.03917	2.3
163.11208	3.4
164.04686	8.2
165.05501	3.2
165.09119	6.9
165.12717	3.6
167.07027	5.1
175.03899	82.1
177.01881	4.3
179.07014	7.5
179.08484	2.1
181.12189	2.2
183.06532	22.3
189.12718	3.9
192.04167	29.3
193.05014	3.2
193.08562	14.6
207.06520	100.0
207.13800	13.9
207.15584	2.3
225.07520	6.5
225.11124	3.6
225.14917	12.7
228.66777	1.6
234.34938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01861	0.9
55.05487	1.0
60.22195	0.7
65.03948	3.8
67.05489	0.9
69.03406	0.8
71.04999	0.8
71.12205	1.2
77.03896	0.9
79.05479	2.3
80.06277	0.7
81.07039	1.6
83.04996	1.2
85.02914	0.9
89.03895	2.2
90.04698	0.8
91.05479	55.8
93.07034	0.9
94.04207	0.7
95.04964	6.2
95.08604	1.5
97.06495	0.7
103.05441	2.5
103.57497	0.7
105.03370	2.9
105.07020	2.0
107.04977	3.1
107.08578	1.0
109.06474	1.7
109.10167	1.2
118.04137	7.5
119.04936	59.1
119.08553	1.0
121.02859	2.8
121.06447	2.3
121.10134	2.3
122.03651	0.9
123.04413	4.5
123.08050	1.5
123.11610	0.7
129.03345	1.4
131.04938	0.9
132.02081	5.2
133.02840	2.2
133.10133	0.8
135.04385	1.8
136.05176	2.5
137.05962	1.3
137.09595	1.2
140.04663	0.8
145.02829	1.8
146.03658	2.8
147.04405	46.9
147.11711	0.9
148.04865	0.7
149.02327	6.6
149.05989	1.3
149.09630	1.0
150.03058	1.2
151.03899	1.8
153.05437	1.2
155.07039	2.2
157.03931	4.8
161.02376	0.7
161.13228	0.9
163.03883	2.3
163.11240	0.7
164.04695	6.5
165.05486	2.7
165.12737	0.7
171.86479	0.7
174.03116	1.3
175.03905	78.1
176.04274	1.4
177.01796	3.3
179.07047	6.4
180.04196	1.6
183.06529	5.1
189.12694	1.2
192.04161	26.9
192.05911	1.4
193.04878	2.4
207.06520	100.0
207.13806	4.1
208.06842	1.7
225.05589	0.9
225.07449	3.4
225.14886	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01870	1.2
55.05487	2.5
57.03430	1.0
57.07066	1.0
59.75777	0.9
65.03928	3.6
67.05487	2.2
68.11762	1.0
69.03432	1.4
69.07056	2.7
69.35864	4.6
69.36285	4.4
71.04972	2.6
79.05480	2.7
81.07056	5.1
83.04967	1.9
83.08616	2.0
85.02893	1.0
85.06503	1.4
89.03912	1.9
91.05477	52.7
93.07027	3.0
95.04969	4.7
95.08604	4.5
97.06516	2.5
99.04445	6.1
103.05462	1.7
105.03394	2.4
105.07027	3.2
106.98829	0.9
107.04952	1.6
107.08572	3.6
108.05712	0.9
109.06515	3.9
109.10138	2.0
117.03428	1.2
118.04144	5.3
119.04939	51.6
119.08518	2.6
121.02863	2.1
121.06496	2.1
121.10118	3.8
123.04414	2.4
123.08021	3.4
123.11659	1.8
125.09621	1.6
132.02057	3.7
133.02824	1.1
133.06479	1.1
133.10109	1.1
135.04393	3.2
136.05196	2.9
137.05983	5.5
137.09601	1.5
139.11157	1.0
141.06972	1.6
145.02817	1.7
146.03563	1.7
147.04407	42.6
147.11696	2.2
149.02335	8.6
149.09630	5.1
151.07539	3.3
153.05432	1.3
153.06978	1.2
157.03940	4.1
161.13274	1.3
163.03885	1.6
164.04767	5.6
165.05493	2.2
165.09094	2.2
165.12772	2.9
167.07069	6.4
167.10661	2.0
169.10162	2.3
175.03900	77.9
176.04298	1.1
177.01794	4.4
178.07797	3.7
178.11301	1.0
179.07011	11.0
179.08563	10.3
179.95912	1.1
181.06436	2.1
181.08565	1.5
182.07295	6.0
183.06526	2.1
183.13727	1.0
189.12781	2.4
192.04167	24.9
193.04842	1.6
197.09622	10.5
198.67966	1.2
207.06508	100.0
207.13757	3.4
208.06779	1.4
210.06775	7.5
225.09192	18.5
225.14841	4.1
226.09634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03929	0.6
55.01852	1.0
65.03939	3.1
67.05498	1.3
67.34386	0.6
69.03394	0.7
69.07070	1.1
70.95994	1.2
70.96331	0.7
71.04979	1.4
77.03925	1.5
79.05481	0.7
81.07053	3.2
83.04995	0.7
83.08632	1.1
85.06550	1.1
87.04482	1.2
89.03921	1.3
91.05478	53.1
93.07041	1.5
95.05003	3.3
95.08607	2.1
96.32553	0.6
97.06519	1.3
99.04433	0.9
103.05459	2.3
105.03381	2.7
105.07017	1.7
107.04946	1.9
107.08593	1.8
109.06535	0.9
109.10159	2.0
117.03413	0.9
118.04151	6.5
119.04939	53.1
119.08593	1.3
120.05263	1.0
121.02843	1.9
121.06493	0.7
121.10115	1.1
122.03669	0.7
123.04404	1.7
123.08064	1.1
123.11753	1.5
132.02075	5.2
133.02850	1.8
133.10010	0.7
135.04407	1.9
136.05179	1.8
137.06013	1.1
137.09602	0.8
139.03792	0.7
141.06976	1.2
145.02831	1.1
146.03630	1.7
147.04404	48.3
147.11699	1.2
149.02336	7.8
149.09602	1.0
153.05519	1.0
155.06926	0.7
157.03964	4.2
160.01569	0.8
163.03853	1.7
164.04691	4.7
165.09160	0.9
167.07022	0.9
174.03185	1.3
175.03900	79.5
176.04242	1.2
177.01811	3.0
179.07060	5.1
181.08681	0.7
183.06516	2.0
183.26512	0.5
192.04163	25.0
193.04732	1.0
197.05986	2.5
197.07814	0.6
197.09708	0.7
207.06517	100.0
207.13771	1.7
207.17401	0.9
208.06905	1.9
225.05460	2.1
225.09216	1.2
225.12775	0.7
225.14639	1.0
225.16512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.78294	0.9
59.58101	0.8
60.48270	0.8
65.03928	3.4
67.05483	1.2
69.03415	3.0
70.55605	2.8
71.05009	1.0
76.92501	0.9
77.03917	1.1
79.05511	1.4
81.07042	2.8
83.04977	0.8
89.03896	1.2
91.05480	54.3
91.35069	0.7
93.07037	0.9
95.04964	3.0
95.16235	0.7
103.05460	2.2
105.03410	1.8
107.04935	1.6
107.08586	1.0
108.05740	1.3
109.10160	1.1
118.04160	6.4
119.04941	52.4
121.02843	2.5
122.03606	0.8
123.04424	1.2
123.11700	1.2
129.03372	1.7
132.02104	4.5
133.02856	2.1
135.04391	1.8
136.05168	1.8
145.02818	2.0
146.03642	1.0
147.04407	45.0
148.04768	1.0
149.02350	8.6
150.89038	0.7
151.07541	0.9
153.05441	1.2
157.03964	3.9
162.03230	0.9
163.03879	1.4
164.04659	6.9
167.07002	1.0
173.47038	0.9
174.03122	2.4
175.03908	77.1
176.04285	1.3
177.01834	2.9
179.06989	4.6
183.06587	1.0
192.04164	26.2
193.04863	1.5
207.06523	100.0
208.06851	1.6
225.09218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.8
56.96562	21.3
57.03422	1.6
58.99853	0.8
61.02934	0.9
65.36700	0.6
66.04214	0.7
67.05492	1.2
69.03431	1.1
70.12666	2.8
71.01344	0.9
71.04995	1.0
71.95247	1.3
73.02911	1.2
74.06039	0.8
77.00919	1.1
81.03423	3.7
81.07036	1.2
82.99850	1.6
83.05006	0.8
83.06036	0.8
84.08138	2.2
84.96021	2.6
85.02871	2.0
95.04994	0.9
95.08600	0.8
97.02871	1.7
97.06550	0.9
98.01420	0.9
98.97578	12.2
100.02533	0.7
101.00881	11.8
103.02453	1.0
104.99641	0.8
105.02175	1.6
106.00318	1.4
107.08583	1.0
109.06469	0.7
111.02155	0.7
113.00898	0.7
115.02407	1.6
116.98611	13.0
117.02171	3.1
117.98891	0.8
118.00305	1.6
118.43036	0.8
119.01921	76.9
119.51955	1.0
120.01984	5.6
121.01656	2.1
122.01375	0.9
123.02184	1.1
124.00214	1.3
124.99044	1.1
125.01025	1.6
125.01838	1.3
126.02678	3.1
127.00814	1.3
127.02414	1.2
128.98598	1.9
130.00218	0.7
131.00983	0.8
131.01877	6.7
131.51959	0.9
132.00038	1.8
132.01886	0.8
132.05040	1.3
132.96628	1.1
133.00768	1.4
133.01691	1.3
133.03506	3.7
134.01521	1.6
134.99689	14.1
135.99950	1.6
137.02956	36.8
137.99977	1.2
138.02991	2.2
139.00854	2.1
139.03859	1.2
140.01596	1.4
140.98779	1.5
141.00493	1.0
142.03494	12.4
143.00133	3.3
143.01903	2.6
143.03651	0.9
144.02699	1.4
144.98109	1.2
145.01662	1.2
145.03479	6.1
146.02440	2.4
146.99530	1.5
147.00569	1.1
147.03233	2.0
147.05089	0.7
148.01335	1.8
149.02971	1.6
152.01459	0.9
152.02510	1.3
153.00775	6.3
153.50536	0.8
154.01120	1.9
154.02203	1.5
155.01863	1.7
155.02994	1.9
155.06978	0.8
157.01785	1.4
157.03499	2.7
158.01358	1.3
158.03458	1.2
158.97208	3.3
158.99876	2.8
159.01410	1.0
159.99559	1.4
160.01204	1.3
160.04547	6.2
160.99529	0.7
161.01216	2.8
161.02991	6.5
162.01071	1.3
162.02960	0.9
162.99278	3.0
163.04471	1.6
163.99513	1.4
165.00441	1.5
166.02193	2.5
166.99014	0.9
167.01901	0.9
167.53023	0.9
168.01074	0.9
169.01793	1.3
169.03380	1.1
171.01462	1.3
171.50261	1.1
172.02124	0.9
173.03059	3.5
174.01036	1.9
174.97719	2.3
174.99213	1.0
175.01828	1.9
175.03096	1.0
175.04420	1.3
176.98325	5.2
177.00945	100.0
178.01042	10.4
179.00714	8.7
179.02144	1.1
179.02396	1.1
179.03940	7.2
179.49867	1.3
179.51593	0.8
181.00047	1.8
181.01718	1.4
182.00771	0.7
182.99843	1.5
183.01363	1.5
183.03159	0.9
183.04852	0.8
183.51897	0.8
183.99860	1.2
184.04579	2.9
185.02977	1.8
186.99150	4.8
187.04449	1.7
187.99203	1.0
189.02548	4.1
189.52725	1.3
191.00734	1.1
191.02359	1.2
192.98721	2.9
193.04015	1.3
194.52332	0.9
195.01903	2.8
198.02097	2.2
199.04578	1.0
199.50092	2.0
200.00159	1.5
200.02533	3.7
200.98311	2.9
201.00832	6.4
201.02487	3.3
201.99106	1.2
202.00990	5.0
202.02583	2.2
202.05760	1.9
203.00760	1.8
203.02521	1.8
203.04150	0.9
204.01912	1.9
205.00294	4.7
206.00545	1.6
213.02498	1.1
213.04233	1.1
213.99352	1.3
214.96373	1.0
215.97820	1.0
216.98671	1.2
217.04073	11.9
218.03845	1.4
219.01990	93.3
219.50212	1.3
220.00211	1.2
220.02080	28.0
221.01756	5.1
221.05066	1.1
225.00945	3.7
225.02776	3.8
225.04428	1.7
225.07314	1.1
231.02130	1.1
234.99695	0.9
240.94438	0.8
242.03563	4.5
242.99850	1.8
243.01935	12.2
244.02124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85989	0.7
55.01863	1.5
55.05501	0.9
56.96567	13.0
57.03436	1.3
58.99875	0.8
67.05521	1.2
69.03442	1.5
69.86794	3.8
70.72610	0.6
71.01350	1.1
71.95255	0.9
73.02904	0.7
77.00916	0.9
79.05500	0.7
81.03429	1.7
81.07052	1.2
82.99864	1.1
83.04991	1.1
84.96024	1.4
85.02908	1.3
89.20782	0.6
91.05457	1.0
93.77451	0.6
95.01307	0.7
95.04971	1.0
96.78386	0.6
96.97828	0.6
97.02889	1.6
98.01444	0.8
98.20843	0.8
98.97585	8.0
100.02487	1.1
101.00881	12.2
101.01500	0.9
102.01001	0.7
103.02467	0.8
105.03409	1.5
110.01351	0.8
111.04480	0.6
113.00990	0.9
115.02430	1.6
116.98614	7.9
117.02152	3.2
118.00327	1.1
118.03547	1.3
119.01920	88.6
119.08607	0.9
119.92880	0.7
120.02017	5.1
121.01656	2.4
123.02158	0.8
126.02701	3.0
126.52798	0.9
127.00907	1.1
127.02451	1.1
127.51015	0.8
128.98592	1.2
131.01016	1.0
131.01900	5.1
132.05069	0.9
133.03470	2.2
134.99692	13.1
135.99988	1.3
137.02956	36.7
138.02917	1.9
139.00856	1.9
139.02580	1.5
139.50859	1.4
140.98807	1.5
142.03500	17.0
143.00201	0.9
143.01936	1.2
143.03677	1.1
144.00945	0.8
144.02629	0.9
144.52786	0.8
145.01688	1.4
145.03467	2.6
146.02444	1.6
146.03529	0.9
146.99635	1.0
149.02954	1.1
150.06071	0.9
151.01707	1.0
153.00832	6.1
154.02191	1.3
155.00415	0.7
155.01880	2.2
155.03011	2.0
157.01601	0.9
157.03526	1.4
158.01360	0.7
158.06630	1.0
158.97224	4.8
158.99739	3.4
159.01486	0.7
159.03186	0.8
160.01355	0.9
160.04527	7.5
161.01204	1.4
161.02968	5.2
162.99336	2.4
163.04471	0.8
163.99564	0.9
165.05090	1.7
166.02330	0.9
166.98738	1.3
168.01155	1.5
170.49350	1.0
171.01414	1.2
171.05103	0.8
172.00034	1.0
172.01903	0.8
173.01575	0.7
173.02934	3.4
174.01135	2.7
175.03015	1.2
175.04391	0.9
176.98343	8.3
177.00954	100.0
177.99481	0.9
178.01021	7.1
178.05603	0.8
179.00652	5.2
179.03983	6.0
179.49930	3.4
181.00381	1.5
182.03281	0.7
182.99927	2.0
183.01459	1.6
183.06207	1.9
184.02016	1.0
184.04587	1.4
185.03040	1.3
186.99164	2.4
187.99281	2.7
188.00839	1.4
189.02444	2.8
190.00638	1.5
190.49631	2.3
192.98793	2.8
193.04059	1.1
194.52469	0.9
195.02060	3.0
197.03059	0.8
199.00996	0.7
199.04526	1.1
199.50055	5.8
200.00122	2.9
200.02492	3.2
200.98355	5.7
201.00778	6.3
201.02534	5.1
201.51305	1.0
201.99040	1.2
202.00880	3.3
202.02692	2.8
202.05634	2.3
203.02477	1.5
205.00330	2.9
207.06534	0.8
207.99117	1.1
209.97781	1.1
211.00868	2.1
211.51010	1.0
213.99049	1.2
214.96585	0.9
216.00291	0.8
217.04054	9.5
218.03958	1.1
219.01987	86.7
219.47853	1.5
219.97675	1.0
219.99960	1.2
220.02066	22.0
221.01654	3.4
222.51805	0.8
222.99503	1.5
224.98627	1.5
225.00900	4.2
225.02640	1.4
225.09247	0.9
225.49771	1.1
231.02080	1.1
232.96648	1.7
234.96405	1.0
238.95596	1.5
240.05734	0.9
242.03635	4.8
242.99556	2.0
243.01891	17.9
243.10762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03304	2.6
55.01873	4.4
55.05507	20.7
56.49015	2.4
57.03428	10.2
57.07063	12.4
59.05009	3.4
67.05501	29.2
69.03419	4.7
69.07066	37.1
69.31110	3.1
69.31516	23.4
71.04977	6.1
74.32619	2.5
79.05491	23.2
81.07050	63.0
83.04981	12.6
83.08598	12.9
85.06523	4.5
91.05473	24.6
93.07040	53.3
94.26110	2.4
95.04964	12.1
95.08606	68.3
97.06537	11.2
98.21546	5.4
99.08078	4.2
104.64406	3.0
105.07021	64.6
107.04954	8.1
107.08587	100.0
109.06503	11.6
109.10156	38.2
110.03513	2.6
111.08033	6.9
117.07002	10.6
119.08578	44.7
121.06507	19.6
121.10136	77.4
123.08064	16.2
123.11699	18.5
130.07765	4.2
131.08562	24.3
133.10106	20.2
135.04399	2.6
135.08029	18.1
135.11696	29.4
135.60100	2.6
137.09608	6.6
137.13254	5.4
143.08521	7.6
145.10117	77.6
147.11668	37.3
149.02371	15.7
149.05951	3.9
149.09613	20.6
149.13242	46.5
153.09126	3.1
157.10152	3.5
158.10919	4.2
159.11720	12.4
161.09569	3.5
161.13255	25.6
162.03108	5.0
163.11191	23.4
163.14815	87.0
165.06940	3.0
165.12801	5.7
167.07004	2.7
167.10703	5.1
172.12502	4.2
175.14764	4.7
177.09261	2.9
177.12781	5.3
177.16374	27.3
179.06949	3.5
179.08514	3.2
181.10136	3.1
187.14810	62.7
188.62036	2.8
190.02594	3.6
191.03331	3.0
198.08138	2.9
205.12337	3.3
205.15866	80.4
208.03763	5.0
223.02620	2.6
223.06021	19.0
223.11305	4.8
223.13165	14.5
223.15007	4.8
223.16870	60.0
223.20329	12.8
225.04266	9.3
241.76691	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	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	14.2
55.05507	7.1
56.96548	19.5
57.03439	44.6
58.02948	10.1
58.99874	7.5
59.04963	6.4
61.02921	45.9
62.06081	12.1
67.05519	7.2
69.03426	75.8
70.79283	6.3
71.01335	11.0
71.30219	13.9
73.02904	26.2
77.00903	6.9
81.03406	8.4
84.04514	8.5
85.02910	59.6
86.02431	9.7
86.06060	22.4
87.04464	17.9
91.05449	11.7
95.01310	12.6
97.02891	11.6
101.00888	25.5
101.02380	36.5
102.02386	18.1
103.03121	6.7
107.02689	12.9
108.18400	6.3
111.02950	12.9
113.02377	76.8
115.02395	20.3
115.03941	44.2
119.01924	100.0
122.02189	7.0
123.02917	10.5
129.01826	46.2
131.01855	21.1
131.02690	11.3
133.03481	14.5
133.04922	9.2
137.02939	17.3
139.02515	7.1
143.01891	14.9
143.03439	21.0
144.99818	13.4
145.99976	8.2
146.04478	8.1
153.02127	33.7
157.01343	38.1
157.03435	9.1
161.02956	23.9
161.04449	33.4
162.02681	34.1
169.01598	8.0
171.01405	34.9
173.02966	16.5
175.02437	10.0
176.02386	10.0
177.02431	18.4
178.07172	14.0
185.03043	7.9
187.00865	19.6
189.02423	24.9
189.03967	51.9
195.03459	7.0
201.02432	37.9
201.04158	15.0
204.01991	8.4
205.01871	9.1
213.02422	19.0
215.00314	12.3
219.03572	9.9
221.05049	7.5
224.07672	11.3
226.04327	23.1
227.04007	9.4
233.01424	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03928	1.4
54.14440	1.1
55.01855	1.3
55.05511	6.4
56.29470	1.0
56.96538	1.5
57.07069	6.5
59.04988	3.5
67.05504	10.9
69.03413	1.5
69.07063	35.3
69.83001	1.1
71.04617	1.1
71.04990	18.1
71.32510	1.0
79.05161	0.9
79.05494	10.2
81.03394	2.0
81.07052	47.6
83.04984	6.3
83.08608	6.7
85.06519	3.2
91.05469	7.6
93.07040	22.2
95.04969	5.5
95.08600	36.8
97.06503	5.1
97.10153	2.3
99.04442	3.5
99.08095	1.9
105.07024	19.1
107.04917	3.4
107.07884	2.1
107.08584	31.8
109.06489	3.8
109.10146	19.6
111.08062	2.8
113.09653	2.4
117.06977	1.7
119.08572	10.4
121.06477	3.5
121.10139	32.9
123.08064	5.5
123.11675	4.8
125.05943	1.8
125.09587	3.2
131.08566	6.3
133.10123	3.5
135.04364	1.3
135.08075	5.6
135.11684	8.1
135.31252	1.1
137.05977	1.2
137.09619	2.7
137.13239	14.1
139.11128	3.6
145.10126	11.5
147.11673	26.6
149.02338	7.5
149.06047	1.3
149.09605	8.9
149.13217	2.5
151.11208	1.7
153.09111	5.4
153.12674	5.2
159.11658	2.8
161.13199	3.2
162.03168	1.2
163.03893	1.6
163.11171	6.9
163.14839	3.6
165.12752	17.1
167.03343	1.0
167.07047	1.2
167.10626	3.7
177.09061	1.4
177.12700	2.3
177.16365	9.9
180.02487	1.2
181.10086	1.3
187.14740	6.3
189.03049	2.1
195.08025	1.3
200.53893	1.1
205.12311	2.5
205.15857	22.8
208.03806	1.4
223.05821	5.8
223.13647	5.3
223.16907	100.0
225.04300	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	223.1691
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
53.03931	3.0
55.01857	8.7
55.05507	16.2
55.17789	2.7
57.07065	8.2
67.05505	27.8
69.03424	5.0
69.07065	29.7
70.84922	6.5
71.04988	19.8
79.05074	3.1
79.05491	31.7
81.03417	2.2
81.06592	3.7
81.07050	45.2
83.04977	99.9
83.08611	6.8
85.06525	3.8
91.05465	21.2
93.07039	41.5
95.04977	13.6
95.08601	41.4
97.06526	60.4
97.10147	2.3
99.04451	36.9
99.08056	4.3
103.05482	2.6
105.07026	32.1
107.04942	12.1
107.08585	54.6
109.06500	26.4
109.10147	46.7
111.04395	3.2
111.08070	7.1
117.07024	16.1
119.08590	25.2
120.08950	2.6
121.06487	8.3
121.09325	3.8
121.10140	35.8
123.08076	23.3
123.11691	28.4
125.09644	4.1
131.08569	34.4
133.10138	11.8
135.08069	24.3
135.11671	11.7
137.09605	5.0
139.07539	2.8
145.10110	55.7
147.08090	2.8
147.11699	22.7
148.08832	6.8
149.02354	12.3
149.09615	40.8
149.13249	4.5
153.09143	4.2
159.11644	12.3
161.13261	8.7
162.03175	3.4
162.10349	7.5
163.03928	2.9
163.11209	12.7
163.14798	22.9
165.12752	44.2
167.08530	2.5
167.10681	7.5
177.12732	6.7
177.16379	12.5
179.08504	3.5
187.14803	33.0
190.02661	4.0
193.10049	2.7
194.10771	2.7
195.11549	3.0
205.04930	2.8
205.12170	5.5
205.15877	100.0
208.12369	3.5
223.05887	18.1
223.11331	4.9
223.13011	10.6
223.14970	5.9
223.16869	56.1
225.04207	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	223.1691
Annotation	Saniculamoid D
Peak:m/z	Relative Intensity
53.03945	1.9
55.01867	2.1
55.05513	8.1
57.03420	2.4
57.07072	6.4
59.04988	2.1
62.66508	0.9
65.03932	1.6
65.83309	0.9
67.05502	12.8
68.63092	0.8
69.03423	2.6
69.07068	16.6
71.04977	4.9
71.10650	1.4
71.10966	0.8
79.05492	11.9
81.03412	1.1
81.07053	48.6
83.04982	33.1
83.08622	3.4
85.02911	9.7
85.06554	2.4
91.05467	10.2
93.07043	18.4
95.04964	8.1
95.08599	24.9
97.02860	1.0
97.06522	14.8
97.10144	1.2
99.04446	5.6
103.05447	1.2
105.07024	14.5
107.04948	13.0
107.08586	23.3
109.06519	4.8
109.10165	10.0
111.04435	2.2
111.08099	2.9
113.06013	2.6
117.07001	4.3
119.08577	11.3
121.02900	1.7
121.06507	10.5
121.10143	18.5
121.11028	0.9
123.08071	6.3
123.11703	100.0
125.05990	0.9
125.09641	2.1
125.25578	0.9
130.07785	1.4
131.08571	11.0
131.48817	0.9
133.10127	6.3
135.04492	1.3
135.08061	5.0
135.11708	7.9
137.05870	1.1
137.09671	1.4
137.13214	1.1
139.07584	1.1
145.10115	18.1
147.08064	1.3
147.11699	7.1
149.02341	8.2
149.05965	0.9
149.09590	12.4
149.13287	3.5
153.09085	1.3
159.11691	6.2
161.13264	8.1
162.10419	1.6
163.11159	6.0
163.13576	1.5
163.14816	10.4
165.07043	1.2
165.12761	3.7
167.07008	1.3
167.10686	3.4
177.12778	2.1
177.16338	5.6
179.03474	1.0
179.08537	1.1
181.12320	1.1
187.14816	16.7
190.02594	1.5
195.08112	1.3
195.11752	1.1
205.12236	2.9
205.15875	26.3
208.03778	1.0
223.05870	6.4
223.11212	1.8
223.12929	5.7
223.14882	3.7
223.16861	19.2
223.20538	2.8
225.04318	4.2
227.02267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03925	6.0
55.05510	23.4
57.03416	10.0
57.07062	13.7
57.33943	3.0
59.04994	3.3
60.98895	2.9
67.05503	34.9
69.03410	8.4
69.07067	34.1
71.04971	7.2
71.42142	7.7
77.02368	2.5
79.05482	29.1
81.03403	4.6
81.06593	5.1
81.07055	64.5
83.04964	13.6
83.08621	19.3
85.06550	6.7
87.23059	3.3
91.05473	27.8
92.67947	3.1
93.07040	54.6
95.04967	14.3
95.08601	76.6
97.06512	13.9
97.10148	6.0
99.04447	5.1
99.08075	5.4
105.07020	75.4
107.04943	10.0
107.07893	4.9
107.08591	100.0
109.06503	14.8
109.10143	41.1
111.08064	11.6
116.54609	3.3
117.07023	15.6
119.08566	52.5
121.06504	16.5
121.10136	95.2
122.72170	3.3
123.04447	3.4
123.08066	23.9
123.11726	24.2
129.06941	4.5
130.07802	5.5
131.08565	29.2
133.10135	26.2
135.04381	4.1
135.08052	20.3
135.11659	20.2
137.09625	7.1
137.13264	7.4
139.07556	4.5
143.08514	8.6
144.09259	3.9
145.10106	91.8
147.11670	46.2
149.02309	20.7
149.09581	16.7
149.13257	43.3
151.11150	4.4
157.10092	5.4
159.11707	26.9
161.13266	26.5
163.03856	5.0
163.11165	20.1
163.14813	99.3
165.06998	3.4
165.12775	6.1
167.10571	5.8
172.12497	4.9
175.14833	8.5
177.12796	8.4
177.16330	37.1
181.04930	5.5
181.10139	4.3
181.12273	5.0
187.14807	78.5
190.02592	5.2
195.08101	3.8
205.04878	3.5
205.12218	7.3
205.14087	5.8
205.15881	83.9
223.05948	21.2
223.11307	4.8
223.13199	19.2
223.15015	5.9
223.16887	72.7
223.20540	8.8
225.04214	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03302	1.2
53.03936	4.4
54.95200	1.2
55.01862	5.9
55.05511	6.9
56.96558	1.9
57.03443	1.6
57.07071	3.9
59.05004	9.9
65.03939	7.4
67.05497	15.2
68.66525	1.1
68.99787	2.1
69.03419	10.7
69.07062	6.0
69.91776	6.1
71.05003	2.8
77.03902	1.6
79.05493	12.9
81.03403	2.4
81.07043	11.5
83.04979	18.3
83.08609	3.0
85.02872	2.0
85.06541	2.7
87.04470	2.2
89.06054	1.4
91.05479	36.4
93.03416	1.3
93.07041	75.1
95.04959	18.6
95.08591	9.5
97.02891	2.0
97.06525	6.5
98.21450	1.9
99.04482	1.3
103.05467	4.1
105.03393	2.8
105.04521	1.4
105.07024	19.5
107.04935	6.1
107.08593	25.3
109.06528	13.5
109.10151	5.0
111.04411	1.7
111.08107	5.9
113.06033	4.3
115.05473	2.9
115.31529	1.2
116.06243	1.6
117.06994	11.6
119.08597	13.6
121.02854	8.9
121.06503	78.8
121.10136	23.1
123.04470	1.8
123.08076	6.0
123.11678	2.0
125.09620	5.8
127.07540	5.1
128.06276	1.5
129.06993	10.2
130.07805	1.3
131.01370	1.4
131.04927	2.3
131.08549	12.2
133.06483	4.8
133.10175	7.8
134.03633	1.5
135.04396	3.6
135.08058	9.7
135.11681	8.2
137.06007	2.1
137.09610	5.8
139.07524	10.6
142.07761	2.7
143.08505	2.3
144.09335	4.4
145.06502	4.4
145.10133	15.5
147.04347	1.9
147.08020	6.8
147.11685	3.5
149.02328	31.4
149.05983	6.0
149.09610	66.9
149.13240	3.0
151.03932	1.5
151.07513	1.5
151.09796	1.7
151.11124	1.9
153.05409	1.2
153.09111	12.1
157.10114	11.0
159.08034	5.4
159.09288	1.2
159.11687	22.2
161.09583	4.7
162.03099	3.2
163.03917	3.6
163.07492	3.1
163.11168	12.4
165.09116	3.3
167.07013	2.5
172.08824	6.3
175.11169	24.8
177.05482	7.4
177.09100	2.7
177.12701	11.0
179.03354	1.9
179.10693	4.2
181.08585	2.0
185.94241	1.2
187.07504	1.7
187.11160	24.0
190.02567	5.2
191.03484	1.5
193.12271	4.2
202.92993	1.5
205.01324	100.0
205.08698	3.3
205.12206	23.3
206.01694	5.9
207.02992	2.8
208.03711	4.1
211.07159	1.5
223.02350	4.9
223.05995	19.0
223.09650	4.1
223.13261	41.4
223.16948	3.9
225.04308	10.9
227.02257	2.1
239.14018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.90278	1.0
53.03933	2.4
55.01867	3.4
55.05510	2.6
59.04992	4.3
65.03947	4.9
67.05497	8.5
69.03430	6.5
69.07069	4.4
70.62778	1.8
70.63117	1.9
71.05007	1.1
77.58638	0.9
79.05492	6.4
81.03432	1.2
81.07046	6.2
83.04975	11.3
83.08633	2.0
85.02911	1.2
85.06557	2.0
89.06053	1.6
91.05466	18.5
93.03384	1.9
93.07042	37.9
95.04967	11.3
95.08606	6.9
96.40931	1.0
97.02859	1.3
97.06532	3.5
98.97576	2.2
99.33327	1.1
101.05969	1.0
103.05451	2.9
105.03413	1.2
105.07023	14.1
107.04946	4.2
107.08586	12.5
109.06518	4.7
109.07648	0.9
109.10158	3.4
111.04444	3.0
111.08076	4.3
113.06025	3.0
117.07019	6.3
119.04953	1.7
119.08578	9.0
121.02866	7.9
121.06506	42.5
121.10128	13.3
122.06833	1.0
123.04475	1.4
123.08061	1.9
123.11685	1.1
125.05984	1.2
125.09669	2.4
127.07549	2.3
129.05464	1.0
129.06969	5.2
131.08551	7.4
133.06573	1.1
133.10110	5.3
135.04436	1.8
135.06673	0.9
135.08043	6.8
135.11713	3.6
137.09587	2.8
139.07529	5.9
142.07776	1.5
144.09322	2.8
145.06496	3.0
145.10144	6.9
147.08067	3.7
147.11702	1.9
149.02328	27.8
149.03517	1.5
149.05980	3.1
149.09613	31.8
151.03867	2.2
153.09062	6.4
157.10114	5.7
159.08046	2.5
159.11702	11.7
161.09584	2.3
162.03169	2.0
163.03871	2.5
163.07527	2.8
163.11139	7.4
165.09103	2.5
167.07123	1.3
169.10147	1.2
172.08884	1.3
175.11195	10.6
177.05469	5.1
177.09108	1.5
177.12704	6.1
179.10683	2.5
181.08743	1.0
187.11153	12.0
190.02635	2.2
193.12318	1.2
205.01317	100.0
205.12225	16.2
206.01711	3.1
207.02878	1.6
208.03647	1.9
223.02599	5.2
223.06009	13.9
223.09682	3.9
223.13257	24.8
223.16835	2.6
225.04388	6.2
227.02316	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0963
Annotation	Sordarial
Peak:m/z	Relative Intensity
51.02386	0.4
55.01872	1.0
55.05501	1.8
57.07067	0.5
60.54519	0.4
60.79741	0.4
65.03916	1.0
67.05499	2.5
67.96187	0.5
68.99792	1.7
69.03413	0.6
69.07072	2.2
69.25520	4.7
71.01347	0.5
71.04974	0.9
79.05484	3.9
81.03425	0.4
81.07048	3.2
83.04991	2.4
83.08607	0.5
85.06538	0.5
91.05474	13.4
93.07032	3.0
95.04970	1.8
95.08600	3.8
97.06531	4.1
103.05482	0.9
105.03384	0.9
105.07032	2.4
107.04957	4.0
107.08601	4.0
109.02843	0.5
109.06524	1.1
109.10135	1.7
111.04425	0.6
111.08110	0.7
111.11728	0.5
115.05449	1.0
117.07028	2.8
119.04933	100.0
119.08532	1.2
120.05247	1.4
121.06482	1.5
121.10127	2.5
123.08066	1.0
123.11707	1.0
125.05958	0.8
131.04912	2.2
131.08534	1.2
135.08041	4.5
135.11671	0.7
137.05948	0.6
138.03123	9.2
141.05368	0.5
143.08611	0.5
145.06477	3.0
145.10103	3.4
147.04398	99.8
147.11661	1.4
148.04671	1.1
149.02321	1.9
149.06007	1.0
149.09624	1.4
149.13245	0.5
152.04652	1.1
153.05457	27.4
159.11693	0.8
163.03865	0.9
163.07545	5.7
163.11163	1.0
163.14842	1.2
164.04619	0.9
165.05440	0.5
165.09111	0.5
165.12755	3.6
165.97375	0.5
167.07027	2.3
167.08386	0.7
173.05965	4.8
177.05464	2.2
177.09096	1.7
177.16313	0.6
179.07021	80.5
180.07365	1.3
187.14871	1.0
190.02542	0.6
190.06314	0.7
191.07030	1.4
193.10097	0.5
195.10124	1.9
205.08592	5.3
205.12114	0.8
205.15852	2.0
223.06004	1.8
223.09624	25.9
223.13226	1.5
223.16858	2.4
223.20477	1.2
224.09946	0.9
225.04218	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0963
Annotation	Sordarial
Peak:m/z	Relative Intensity
50.17576	0.3
51.02378	0.5
51.23671	0.3
55.01868	0.4
55.05502	1.1
56.05775	0.3
57.03404	0.5
57.07059	0.6
59.04984	0.4
65.03932	0.8
67.05496	1.1
68.99789	1.5
69.07063	1.1
69.24442	1.6
69.24866	2.1
71.04980	0.4
79.05481	2.9
80.29067	0.3
81.07046	1.3
83.04974	2.0
91.05470	11.9
93.07034	1.9
95.04959	1.2
95.08595	2.7
97.06473	0.4
103.05462	0.6
105.03387	1.0
105.07027	1.4
107.04919	2.9
107.08595	2.1
109.06519	0.4
109.10168	0.8
110.03631	0.5
115.05451	0.6
117.07018	2.3
119.04930	92.4
120.05271	1.1
121.06496	1.3
121.10104	1.0
123.04359	0.5
123.11742	0.5
131.04926	1.3
131.08525	0.4
133.10138	0.5
135.04434	0.7
135.08061	3.6
135.11745	0.5
137.09576	0.5
138.02151	0.7
138.03105	8.2
141.05516	0.5
145.06488	2.5
145.10136	0.8
147.04395	100.0
147.11630	0.6
148.04735	1.4
149.02344	1.6
149.05986	0.6
149.09612	0.6
149.13245	0.4
152.04655	0.7
153.05455	25.1
154.05740	0.4
159.11705	0.6
162.03087	1.0
163.07547	5.8
163.14951	0.4
164.04646	1.0
165.05452	0.6
165.06844	0.4
165.12717	0.8
167.07010	1.7
173.05981	4.1
177.05476	1.5
177.09113	1.2
177.16454	0.5
179.07013	76.6
180.07368	1.0
187.14854	0.7
190.06105	0.4
191.06973	0.7
195.10146	1.7
205.08606	4.2
205.12158	0.6
205.15781	0.5
223.05960	1.5
223.09615	22.8
223.13246	2.4
223.16774	2.3
224.09978	0.7
225.04233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03925	1.1
55.05507	14.4
55.46833	1.1
57.03426	1.3
57.07051	4.9
64.86439	1.0
65.03902	1.4
67.05499	17.5
69.03415	1.7
69.07066	20.3
70.12513	5.4
71.04966	2.7
72.19121	1.3
73.06544	1.9
79.05489	7.7
80.44187	1.1
81.06598	1.9
81.07052	33.8
83.04967	2.4
83.08614	9.8
85.06538	3.5
91.05473	6.4
93.07038	18.0
95.08599	57.4
97.06519	16.6
97.10170	7.7
105.07024	27.0
107.08582	29.4
109.06527	1.9
109.10149	72.7
111.08073	21.1
111.11712	4.1
119.07711	1.6
119.08570	32.2
121.10123	16.2
123.08047	4.2
123.11691	17.5
125.09618	5.5
127.11190	3.5
133.10120	27.1
135.11687	10.6
137.09622	9.8
137.13268	7.2
139.11142	1.6
145.10158	1.9
147.11674	31.7
149.13219	8.5
151.11153	4.0
153.12706	3.1
161.13261	19.6
163.14835	10.9
165.12772	5.5
172.77853	1.3
175.14810	10.3
177.16356	2.7
193.19600	1.2
203.17941	64.7
221.18990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	2.1
55.05500	12.1
57.07065	9.4
59.04990	3.7
67.05504	23.9
69.07069	24.1
69.54158	13.5
69.54570	3.4
71.04978	4.0
74.99592	2.2
79.05473	13.7
81.07055	55.9
83.04964	2.8
83.08615	11.4
85.06538	5.1
91.05476	11.6
93.07050	30.9
95.08602	72.4
97.06521	9.4
97.10136	4.2
105.07030	46.8
107.08588	55.7
109.06537	4.9
109.10157	56.9
111.08076	19.3
111.11718	3.0
119.08582	47.7
121.10130	30.7
123.08035	6.7
123.11715	26.5
125.09634	5.0
133.10123	35.0
135.11697	12.4
137.05945	2.7
137.09621	5.6
137.13258	6.6
139.11111	3.7
147.11684	56.6
149.13240	14.5
151.11168	7.8
161.13235	37.1
163.14793	19.0
165.12743	11.7
175.14796	7.9
177.16428	4.2
186.21863	2.4
203.17960	88.2
204.18373	2.6
221.18997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03952	2.3
55.01861	3.0
55.05508	16.6
57.07076	6.9
67.05505	30.9
69.07066	30.1
70.96528	3.1
71.04971	2.0
71.08611	1.6
76.03352	1.3
79.05492	19.4
81.07054	59.5
83.04982	2.3
83.08604	10.9
85.06535	3.3
87.42701	1.3
91.05470	21.8
93.06495	2.4
93.07046	30.6
95.04967	3.7
95.08607	77.1
97.06532	11.0
97.10152	6.7
99.08095	2.1
103.05437	2.1
105.07024	45.1
107.08588	62.4
109.06505	4.2
109.10152	65.3
111.08066	14.6
111.11689	3.5
117.07024	3.2
119.08575	44.7
121.06449	1.5
121.10139	30.2
123.08074	4.5
123.11702	22.8
125.09595	2.0
127.11175	2.2
131.08485	2.0
133.09137	2.5
133.10123	36.6
135.11681	15.3
137.09595	6.9
137.13229	8.0
139.11157	2.8
143.08549	1.8
145.10107	3.6
147.08093	2.9
147.11679	45.4
149.02345	1.5
149.13274	7.0
151.11189	3.6
153.12750	2.8
161.09663	1.9
161.13264	22.6
163.11147	2.1
163.14809	27.9
165.09055	1.9
165.12743	5.4
175.11267	1.7
175.14789	16.6
177.16267	4.0
193.05025	1.5
203.14243	1.9
203.17947	49.4
203.19800	3.1
206.16205	2.6
217.28409	1.7
221.04416	3.5
221.11620	2.0
221.15404	7.7
221.19000	100.0
222.19374	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05509	14.4
57.07064	4.5
67.05502	26.6
69.07072	24.5
70.18636	6.9
71.04992	28.8
72.84908	2.1
72.93762	2.0
74.60166	2.1
79.05498	24.4
81.07056	100.0
82.03803	2.2
83.08607	8.5
85.06541	3.7
85.92493	2.7
91.05470	17.4
93.06490	4.3
93.07040	49.4
95.04948	7.0
95.08603	60.2
97.02898	3.1
97.06546	5.5
97.10159	5.1
99.08100	6.9
101.13664	2.2
105.07031	65.0
107.08588	68.6
109.06487	7.5
109.10152	48.4
111.08064	3.6
111.11683	4.5
113.09648	3.0
117.06991	3.4
119.08582	80.4
121.10137	27.2
123.08051	4.6
123.11704	25.8
125.09641	4.1
127.11207	6.3
131.04947	3.8
131.23523	2.3
133.06479	2.8
133.10115	35.0
135.08025	2.4
135.11690	75.4
137.05980	4.2
137.09642	6.3
137.13248	5.0
143.08513	2.4
145.10130	4.5
147.04416	4.2
147.08057	5.1
147.11679	48.3
149.02260	3.0
149.13254	13.6
150.10602	2.4
151.11221	5.3
159.11702	2.9
161.09615	7.1
161.13242	19.8
163.03990	3.8
163.11182	4.9
163.14774	14.7
165.12781	4.1
175.07541	4.5
175.11304	2.8
175.14900	11.9
177.09123	4.7
177.16348	8.2
181.61275	2.4
185.13229	3.0
188.04710	2.6
190.06149	3.3
193.08633	3.4
203.14326	7.0
203.17946	66.8
203.19794	4.4
206.16313	4.9
221.04370	3.0
221.08064	10.0
221.15587	15.3
221.19006	91.9
231.66464	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03931	3.0
54.17170	2.1
55.05503	11.8
55.05722	2.1
57.03428	4.3
57.07066	9.2
62.66831	1.8
67.05502	30.3
69.07063	27.0
69.59776	9.7
71.04993	5.7
79.05491	11.9
81.07049	46.4
83.04964	3.8
83.08617	11.9
85.06530	7.6
86.10715	2.0
91.05466	22.4
93.07045	45.2
95.04970	3.9
95.07985	4.2
95.08602	78.9
97.06524	4.6
97.10201	4.7
99.08109	3.1
105.07029	57.7
107.08588	41.6
109.06517	5.0
109.10155	57.4
109.10897	1.7
110.10393	1.9
111.08082	7.3
111.11753	2.8
117.07027	2.8
119.07729	3.4
119.08573	66.4
121.10146	32.1
123.08067	8.7
123.11680	18.5
125.09624	4.6
127.11230	2.6
131.08534	3.4
133.10120	56.5
135.11694	12.2
137.09631	3.9
137.13274	5.3
145.10185	4.8
147.11685	58.7
149.13239	18.2
151.11154	12.6
156.82671	2.0
159.11676	3.7
161.13266	25.2
163.14822	16.5
165.09229	3.1
165.12773	7.8
175.14862	13.9
177.16371	15.9
203.14153	4.1
203.17957	85.5
204.18243	4.1
206.16240	3.9
221.04355	3.2
221.08136	2.0
221.15398	8.1
221.19012	100.0
222.19359	3.1
224.68068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.9
55.05512	12.0
57.03423	1.9
57.07065	6.8
67.05508	16.8
69.03427	3.8
69.07068	19.1
69.23215	2.2
69.23561	19.8
71.04993	29.5
73.70499	1.7
78.93564	1.7
79.05480	22.3
81.07053	100.0
81.15592	1.5
83.04992	2.4
83.08597	5.6
85.02879	1.7
85.06535	3.3
91.05484	20.2
93.07041	51.8
95.04923	4.3
95.08601	44.9
97.06532	7.4
97.10149	4.7
99.08065	4.9
105.07025	51.0
106.11941	2.0
107.08592	57.9
109.06488	5.9
109.09486	2.8
109.10158	39.7
111.08063	4.3
111.11730	2.6
113.09619	3.9
116.06219	1.8
117.07001	4.6
119.08578	72.3
121.10133	21.8
123.08067	4.0
123.11705	18.7
125.09634	2.8
127.11187	9.5
129.07010	1.8
131.08533	3.3
133.06461	4.0
133.10121	25.1
135.07990	1.9
135.11685	65.4
135.12737	3.1
136.11981	2.5
137.05940	3.0
137.09579	3.3
137.13292	2.1
143.08530	2.2
145.10141	4.0
145.86584	1.8
146.03482	1.8
147.04390	4.2
147.08096	4.0
147.11694	38.6
149.02318	2.0
149.13266	16.2
151.07579	2.5
151.11177	2.4
159.11685	3.0
161.05949	6.3
161.09570	3.8
161.13263	19.6
162.06789	1.7
163.14857	9.4
165.01836	3.9
165.09085	3.0
165.12724	3.9
167.42125	1.6
175.07532	4.1
175.11218	3.0
175.14827	9.6
177.05444	2.9
177.09113	17.9
177.16373	6.6
190.06165	2.0
193.08597	3.0
203.03360	2.2
203.10651	2.9
203.14384	5.3
203.17946	53.3
206.16095	1.7
221.04436	4.1
221.08087	7.5
221.11781	4.8
221.15627	14.1
221.18991	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05510	6.8
57.07068	1.8
65.03925	1.4
67.05503	13.8
67.58935	0.8
69.03420	1.1
69.07068	12.3
69.26969	1.1
69.27372	6.6
69.92515	0.8
71.04971	2.0
77.03926	0.8
79.05483	8.6
80.45329	0.8
81.07055	29.9
81.07536	1.5
83.04966	0.9
83.08592	3.7
91.05476	12.5
93.07040	19.3
95.04961	2.8
95.08607	39.8
97.06524	4.6
97.10160	1.9
99.04453	1.2
105.07025	32.7
107.08590	26.6
109.06531	2.3
109.10150	21.9
111.08081	3.0
113.06042	1.5
117.07022	2.3
118.46556	0.8
119.08577	61.3
120.08965	1.0
121.06532	1.0
121.09229	1.3
121.10130	23.0
123.08085	1.6
123.11687	4.6
125.09609	3.7
131.08519	2.9
133.10124	35.4
134.10417	0.7
135.11707	5.7
137.06030	1.2
137.09605	1.5
137.13303	1.2
139.11200	1.2
143.08551	1.0
145.10106	4.8
147.08064	2.6
147.11678	39.1
149.13263	3.2
151.07516	0.8
151.11194	1.5
151.14781	0.9
157.10121	2.0
159.11702	2.8
160.12560	1.2
161.09601	3.0
161.13274	5.1
163.14819	4.9
165.09207	1.0
165.12761	1.4
173.13220	1.1
173.67165	0.7
173.88657	0.7
175.11343	2.4
175.14821	100.0
176.15152	3.2
177.16379	3.9
178.28438	0.7
182.61259	0.9
185.13242	2.4
191.17865	1.9
193.15874	3.4
203.14348	5.4
203.17938	13.6
206.16119	1.1
221.04295	1.4
221.15382	22.2
221.18930	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	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30875	0.2
51.81595	0.2
55.05503	0.6
56.21383	0.2
57.07058	0.3
67.05484	0.6
69.03413	0.2
69.07045	0.4
69.27491	1.5
71.04981	0.3
71.28489	0.1
79.05473	0.6
81.07061	1.2
83.04931	0.2
89.85095	0.2
91.05468	1.4
93.07039	0.9
95.04949	0.2
95.08607	1.3
97.06521	0.2
103.05464	0.3
105.03350	0.2
105.07020	1.5
107.04905	0.2
107.08599	1.0
109.10143	0.9
111.08041	0.2
115.05431	1.5
116.06203	0.6
117.07009	4.4
119.04939	0.5
119.08575	1.2
121.06487	0.5
121.10118	0.9
123.08037	0.4
123.11652	0.3
125.09530	0.2
128.06197	1.2
129.06943	0.3
131.04906	0.5
131.08572	0.3
133.06477	0.9
133.10136	0.9
134.07275	0.8
135.04384	0.2
135.08057	1.2
135.11687	0.4
137.05974	0.3
137.09563	0.4
143.04857	0.2
143.08563	0.9
144.05661	0.4
145.06496	0.8
147.04359	0.5
147.08005	0.7
147.11661	0.8
149.06024	0.2
149.09631	0.4
151.07500	0.2
151.11142	0.2
159.08139	0.2
160.05275	0.3
161.05971	4.4
161.09540	0.4
161.13200	0.8
162.06757	5.6
163.03827	0.2
163.07330	0.2
165.05507	0.2
167.08186	0.2
171.08063	0.7
175.03925	0.2
175.07529	2.6
175.14836	0.4
177.09097	100.0
178.09438	1.9
183.40329	0.2
188.44901	0.2
189.01759	0.6
191.03471	0.2
193.08585	0.2
203.07010	0.4
203.10628	0.5
203.14328	0.3
203.17960	0.5
206.16199	0.2
208.89340	0.2
221.04420	0.3
221.06287	0.2
221.07990	1.0
221.11688	0.8
221.15327	1.0
221.17314	2.5
221.18991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.59781	0.7
55.01862	1.6
55.05513	1.1
57.07069	5.9
59.05004	5.8
67.05503	5.0
69.07067	5.5
69.96493	3.2
70.02948	8.0
72.04516	16.9
73.02914	3.6
74.02420	1.3
78.72309	0.7
81.07063	0.9
83.04954	1.5
85.06544	12.6
86.09711	1.9
87.08102	1.5
90.05551	100.0
95.04963	7.1
95.32553	0.6
96.04465	1.4
96.08131	1.6
98.02416	16.3
100.03966	2.1
103.07575	7.0
113.06014	3.9
116.03448	14.2
124.07587	18.5
131.07059	1.1
142.08629	6.6
156.10280	1.2
160.09721	2.0
161.73248	0.7
166.08643	2.0
174.09122	0.8
174.11258	1.2
184.09689	19.1
192.02879	0.9
202.08871	1.1
202.10719	24.1
203.10983	0.7
205.15915	2.7
211.67537	0.6
220.09773	1.1
220.11789	22.4
220.13866	1.5
220.17734	3.9
221.52992	0.6
243.39948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.74798	0.5
53.03919	0.8
55.01831	0.5
55.05466	1.8
57.03402	0.5
57.07018	2.3
67.05492	3.3
69.03403	1.2
69.07021	1.5
70.06549	1.4
71.01942	1.0
74.02405	0.5
79.05441	2.2
81.07049	5.0
82.02901	1.4
83.04938	1.0
83.08571	2.2
85.02888	0.7
91.05403	2.9
93.07000	2.4
94.06568	3.0
95.04935	1.0
95.08592	3.6
103.05423	1.8
105.07028	3.6
105.78544	0.5
106.06521	0.7
107.04919	1.5
107.08582	3.6
109.06464	1.8
109.10151	3.6
111.04394	0.6
111.08089	4.0
115.05417	2.2
115.15608	0.5
116.07036	2.0
117.06995	1.0
119.08583	3.7
120.08074	1.7
121.06476	3.7
121.10110	1.8
123.08035	0.9
123.11673	1.0
127.07073	0.5
128.06178	0.9
129.06979	1.8
130.06520	51.3
131.04895	2.2
131.06827	0.6
132.04445	36.7
133.06438	1.2
133.10071	2.2
134.06018	7.1
134.10864	0.8
135.08040	2.2
135.11667	1.0
137.05959	1.8
137.09592	1.4
145.06433	0.9
145.10144	0.7
146.05994	1.6
147.04434	2.4
147.06314	1.7
147.08055	1.0
147.09158	1.5
147.11650	2.6
148.07539	3.7
151.03828	0.6
151.11229	1.0
153.09099	2.1
157.06509	1.2
157.07605	22.5
157.10101	0.8
158.06004	70.5
159.06500	1.9
160.07536	2.8
161.05965	2.8
161.09628	1.0
161.13239	1.1
162.05495	12.3
163.11142	0.6
165.09108	1.4
169.35858	0.5
175.08670	100.0
175.14850	2.0
176.07089	3.8
176.08983	1.5
177.09059	0.6
179.03529	0.6
179.10648	1.2
185.05899	0.6
186.05450	5.1
192.06554	0.8
193.04968	1.1
193.08517	0.7
193.15904	2.6
203.03310	0.9
203.07005	1.9
203.08363	1.5
203.14388	0.9
203.17911	0.9
204.06557	17.0
206.16185	3.0
214.59618	0.5
221.04445	3.1
221.09271	23.0
221.11784	1.7
221.15343	4.3
221.18271	3.1
222.07693	1.2
239.09569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01857	5.8
55.05511	12.6
56.05032	1.2
56.05836	1.3
56.96565	42.3
57.03205	1.3
57.03434	14.7
57.07053	4.0
58.99849	1.2
59.05000	6.1
61.02925	14.8
67.05493	3.6
67.27586	1.3
68.05031	2.3
69.03429	19.1
69.07058	4.2
70.02949	2.5
70.06584	5.5
70.98110	4.1
71.01348	2.8
71.04982	6.9
71.50477	1.3
71.95245	1.6
72.04507	3.2
72.08151	1.9
73.02920	21.8
74.06064	1.6
74.97606	2.1
75.04459	2.2
81.03412	9.3
81.07059	1.3
83.04974	5.3
83.06110	1.3
84.04491	1.7
84.08153	1.5
84.96016	3.1
85.02905	30.3
85.06523	3.6
87.04438	3.0
88.07618	1.5
88.99140	2.0
89.00739	1.5
90.01558	1.7
90.05553	17.8
91.05460	3.7
95.04961	2.0
96.01520	2.5
96.04459	1.2
97.02308	2.1
97.02888	21.0
98.01350	1.3
98.02435	2.1
98.06070	1.7
98.97577	49.5
99.04428	8.1
99.97898	2.4
100.02537	1.4
100.03932	1.3
101.00813	1.9
101.02428	2.6
102.00941	1.2
103.03941	1.6
105.07023	2.5
106.00995	1.5
108.04459	1.3
109.02901	6.3
110.01246	3.7
110.97569	5.6
111.02067	1.6
111.04438	1.5
112.99137	2.4
113.00874	1.3
115.02266	4.9
115.03935	1.6
116.03419	4.8
116.98624	29.2
117.05470	1.3
117.98943	2.3
118.03532	2.0
118.34113	1.5
119.01879	19.0
119.03614	3.1
119.08567	1.6
120.02023	4.3
120.08877	1.5
121.01669	4.1
121.05045	1.9
124.07613	4.1
126.03676	2.0
127.03931	8.6
128.02280	5.2
128.10718	1.5
128.98564	7.6
130.06480	2.1
131.00148	5.1
131.01855	7.1
132.00754	3.2
132.03496	2.1
132.04411	1.6
133.01688	5.6
133.03368	7.4
134.02177	2.1
134.99637	14.2
135.03099	4.8
136.06172	8.5
137.02859	2.4
137.04655	1.4
137.05939	2.8
138.05347	1.8
138.55327	2.6
139.01520	2.3
139.03287	2.8
139.05072	1.5
140.02272	2.1
140.05028	1.8
142.08549	1.9
143.00157	2.7
143.01865	3.8
144.02112	1.7
145.01593	3.1
145.03453	3.4
145.04907	1.8
145.10153	1.6
146.99635	7.8
147.03183	1.5
147.04366	1.9
147.05852	2.6
147.55864	2.9
148.03856	21.7
148.06184	72.6
148.54024	2.8
149.01215	3.5
149.02831	4.0
151.02762	4.1
153.00677	2.4
154.03860	2.5
155.04657	4.7
157.02487	3.2
157.04471	7.9
158.04831	1.6
158.06020	1.9
158.99657	6.3
159.03090	1.8
159.04971	2.0
159.54675	3.1
160.01953	2.1
160.06181	2.8
161.01216	5.7
161.02866	8.1
162.01697	1.5
162.03433	2.3
162.07651	1.5
162.99156	2.0
163.02715	3.7
163.04338	2.0
165.00690	3.6
170.99654	3.0
171.04111	10.9
173.01219	3.5
173.02913	4.8
174.03050	2.3
174.11249	4.3
175.02681	1.9
175.08670	3.3
177.00755	8.5
177.04224	2.9
177.12794	1.5
178.01123	1.7
178.04872	2.2
179.02226	9.7
182.03369	1.4
182.55000	2.2
184.03043	1.5
184.04782	2.7
184.09770	6.0
185.02855	1.6
185.08202	3.1
187.02734	2.4
189.00690	4.3
189.02394	3.0
189.06087	1.5
191.02199	2.6
191.03882	2.4
195.05194	1.5
197.01173	2.9
197.03246	8.5
197.04855	1.6
198.00217	1.5
201.00655	2.8
201.02412	2.0
202.05066	1.7
202.10765	14.1
203.04012	2.1
204.14684	6.6
205.00212	2.2
205.03783	2.3
205.15878	20.7
207.01726	1.9
211.05423	10.7
215.02136	2.7
215.04045	2.9
215.07820	1.8
219.01682	6.7
220.04099	2.0
220.05980	19.0
220.11925	100.0
220.15437	3.6
220.17773	25.3
220.56097	2.3
221.05125	1.9
233.03456	2.0
237.02760	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03957	1.6
54.52749	0.7
55.01859	1.2
55.05508	9.6
57.03422	1.6
57.07061	2.7
65.03934	1.3
67.05502	17.7
67.08648	0.7
69.03428	1.2
69.07066	11.1
70.06570	0.8
70.73219	2.1
71.04984	3.7
77.03925	0.9
79.05492	14.1
81.03388	0.8
81.07057	33.3
81.07537	1.7
81.33065	0.8
83.04967	3.0
83.08601	3.2
85.06499	2.1
88.07628	0.9
91.05478	18.8
93.07047	25.1
95.04999	3.5
95.08607	33.6
97.06547	4.4
97.10157	2.0
99.08073	0.8
103.05457	1.9
104.06263	1.3
105.07033	38.6
107.04926	1.6
107.08591	27.9
107.09316	1.4
108.08925	0.7
109.06519	6.7
109.10153	24.8
111.08093	6.0
115.05434	4.4
116.06248	0.8
117.07014	10.2
119.08582	28.5
120.84449	0.7
121.06540	3.6
121.10141	20.4
123.04410	1.6
123.08079	6.3
123.11707	5.3
125.09605	2.9
128.06207	1.9
129.06998	4.5
130.07782	2.1
131.04887	1.7
131.08574	23.4
132.05727	1.2
133.10130	23.6
134.10413	0.8
135.08032	4.3
135.11691	13.1
137.09595	3.8
139.11154	0.8
141.06967	1.7
143.08560	1.6
144.09331	2.5
145.06494	1.9
145.10121	39.9
146.07240	0.8
146.10799	1.3
147.08060	1.6
147.11687	11.0
149.09608	3.2
149.13239	5.3
151.11169	1.9
157.06467	1.1
157.10056	1.6
158.07339	0.9
158.10893	1.4
159.08054	3.4
159.11685	30.0
160.05173	1.5
160.12395	1.0
161.09645	1.7
161.13254	23.8
163.11182	9.7
163.14784	1.8
169.06502	1.1
171.11789	1.1
173.09534	0.7
173.13266	10.1
174.06767	6.7
175.07539	8.8
175.14803	6.8
177.12732	2.3
177.16345	1.8
186.06711	0.8
189.09206	4.1
191.10687	0.8
191.14330	2.2
191.17941	3.1
199.14825	0.8
201.09116	2.2
201.16377	46.5
202.16629	0.9
203.14308	9.3
205.15770	1.1
219.06715	1.6
219.10162	29.6
219.13860	2.9
219.17435	100.0
219.21376	10.6
220.10506	1.3
220.17792	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	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.68003	1.2
53.03934	2.8
54.64734	1.2
55.05508	8.2
55.05719	1.5
57.07058	2.7
58.07407	1.5
59.82082	1.2
62.74799	1.4
67.05502	14.9
69.03411	2.2
69.07070	9.2
69.31071	13.3
70.06580	4.1
71.04993	14.9
71.06932	1.2
72.30491	1.1
79.05487	11.0
81.07051	39.2
81.47755	1.3
83.04974	4.2
83.08602	3.4
85.06553	2.5
88.07612	4.0
89.07957	2.6
91.05472	25.5
93.07037	23.6
95.04958	5.0
95.08610	18.2
97.06522	6.5
97.10139	2.2
98.21552	2.4
102.09162	1.8
103.05482	1.7
105.07026	77.4
106.07386	1.2
106.08643	2.0
107.08587	20.2
109.06481	3.6
109.10164	16.0
111.08122	1.8
114.92297	1.3
115.92149	1.3
117.07018	6.9
118.07787	2.0
119.08578	25.1
121.06499	3.9
121.10141	18.4
123.08060	3.7
123.11706	2.5
125.09621	27.0
127.11143	1.7
129.06975	4.2
131.08556	19.6
133.10126	100.0
134.10458	1.7
135.08057	2.9
135.11665	9.0
137.09583	1.7
139.11128	3.1
143.08546	2.7
144.09360	2.2
145.10129	25.5
145.11206	1.1
147.11687	15.2
149.09628	2.4
149.13211	3.0
157.10130	2.1
159.08101	1.8
159.11678	25.6
161.13278	15.1
163.11200	3.7
173.13257	5.7
174.06790	2.7
175.07480	1.7
175.14844	5.0
177.12785	2.3
177.16397	1.6
189.09053	3.4
201.16374	26.0
201.20308	2.9
203.14276	6.2
205.32506	1.7
219.06546	2.7
219.10150	5.3
219.14087	2.7
219.17435	64.9
219.21460	46.0
220.17839	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	219.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68003	1.2
53.03934	2.8
54.64734	1.2
55.05508	8.2
55.05719	1.5
57.07058	2.7
58.07407	1.5
59.82082	1.2
62.74799	1.4
67.05502	14.9
69.03411	2.2
69.07070	9.2
69.31071	13.3
70.06580	4.1
71.04993	14.9
71.06932	1.2
72.30491	1.1
79.05487	11.0
81.07051	39.2
81.47755	1.3
83.04974	4.2
83.08602	3.4
85.06553	2.5
88.07612	4.0
89.07957	2.6
91.05472	25.5
93.07037	23.6
95.04958	5.0
95.08610	18.2
97.06522	6.5
97.10139	2.2
98.21552	2.4
102.09162	1.8
103.05482	1.7
105.07026	77.4
106.07386	1.2
106.08643	2.0
107.08587	20.2
109.06481	3.6
109.10164	16.0
111.08122	1.8
114.92297	1.3
115.92149	1.3
117.07018	6.9
118.07787	2.0
119.08578	25.1
121.06499	3.9
121.10141	18.4
123.08060	3.7
123.11706	2.5
125.09621	27.0
127.11143	1.7
129.06975	4.2
131.08556	19.6
133.10126	100.0
134.10458	1.7
135.08057	2.9
135.11665	9.0
137.09583	1.7
139.11128	3.1
143.08546	2.7
144.09360	2.2
145.10129	25.5
145.11206	1.1
147.11687	15.2
149.09628	2.4
149.13211	3.0
157.10130	2.1
159.08101	1.8
159.11678	25.6
161.13278	15.1
163.11200	3.7
173.13257	5.7
174.06790	2.7
175.07480	1.7
175.14844	5.0
177.12785	2.3
177.16397	1.6
189.09053	3.4
201.16374	26.0
201.20308	2.9
203.14276	6.2
205.32506	1.7
219.06546	2.7
219.10150	5.3
219.14087	2.7
219.17435	64.9
219.21460	46.0
220.17839	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.96795	1.1
53.03944	1.9
54.16609	1.0
55.05508	9.0
57.07075	3.9
61.05038	1.2
65.03906	0.9
66.58763	1.1
67.05509	10.3
67.99780	1.0
68.49677	1.2
69.03412	1.8
69.07066	23.9
69.24622	8.2
69.25035	3.5
71.04978	5.0
79.05489	8.8
81.07051	16.0
83.04979	6.2
83.08614	6.5
91.05476	12.6
93.07043	19.7
95.04382	1.7
95.04964	23.3
95.08607	26.2
97.06519	5.2
98.21546	1.9
99.08078	1.3
103.87760	1.3
105.07029	24.8
107.08591	26.0
109.06516	6.7
109.10155	19.9
111.08028	4.1
117.07009	7.7
119.08573	36.1
121.06493	4.1
121.10143	22.0
123.08055	4.8
123.11701	8.7
125.09612	5.7
129.06978	1.8
130.07819	1.5
131.08554	14.9
133.10132	26.0
135.08041	6.2
135.11699	10.9
137.09613	8.5
137.13222	3.7
143.08551	1.5
144.09328	3.5
145.10118	28.6
146.10843	1.2
147.11693	9.6
149.09622	7.3
149.13237	2.7
151.11171	1.8
157.10127	1.8
158.10934	1.5
159.10483	1.9
159.11700	26.9
161.09552	1.8
161.13254	16.5
163.11130	9.2
173.09743	1.2
173.13274	8.4
175.14824	38.5
177.12671	1.7
177.16386	10.1
189.16432	2.7
191.17949	5.1
201.16388	29.3
203.14328	11.0
219.17432	100.0
220.17851	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	219.1013
Annotation	Toxol
Peak:m/z	Relative Intensity
53.12701	1.1
55.05501	5.3
56.64309	1.1
57.03419	1.8
59.79012	1.0
67.05499	6.2
69.03410	2.4
69.07058	3.8
70.56717	2.1
70.57056	1.8
71.04984	2.6
79.05495	6.9
81.07052	10.0
83.04968	3.2
83.08588	1.9
85.06541	1.0
91.05473	14.8
93.07051	10.1
95.04942	2.1
95.08605	9.1
97.06509	2.1
100.11187	1.3
101.11537	1.1
103.05450	2.7
105.07025	16.5
107.08582	11.0
109.06514	4.5
109.10152	6.6
111.08052	1.8
115.05435	9.9
116.06223	2.8
117.07000	6.8
119.04964	1.5
119.08588	15.5
121.06512	2.0
121.10140	12.7
123.08010	1.7
125.09628	1.5
127.04057	1.3
127.11194	1.4
128.06229	8.7
129.07005	32.3
130.07796	2.8
131.04921	7.2
131.08565	33.3
133.06493	2.2
133.10121	12.0
135.04399	1.8
135.08025	3.7
135.11661	5.7
137.05968	3.9
141.06976	29.5
143.08530	3.4
144.05679	4.2
145.06459	6.7
145.10089	12.2
146.07233	4.6
147.07993	1.8
147.11662	3.7
148.05167	1.6
149.09647	2.0
149.13293	1.8
156.05690	1.3
157.06477	12.9
157.07643	1.8
158.07272	17.3
159.04369	2.7
159.08041	20.4
159.11673	11.4
160.05177	3.9
161.09593	5.4
161.13252	9.5
163.07524	3.1
163.11166	2.3
169.06496	11.2
170.07309	5.5
171.04520	1.2
173.05946	5.0
173.09651	3.2
173.13226	4.1
174.05243	2.5
174.06757	50.7
175.07495	10.1
175.14799	3.2
177.05458	1.3
177.12737	2.4
186.06735	13.7
188.08318	3.7
189.09102	67.3
190.09521	1.6
191.06960	1.8
191.10593	5.5
191.14203	2.5
201.09116	27.6
201.12775	2.1
201.16351	9.7
203.14316	20.7
219.06427	3.6
219.10149	61.5
219.13805	4.4
219.17426	100.0
220.17932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03945	1.1
53.58064	0.7
55.01864	1.0
55.05508	3.0
57.03431	1.3
67.05488	4.5
69.03419	1.2
69.07063	3.3
69.58730	3.0
69.59153	1.7
71.04999	1.7
79.05483	3.3
80.01018	0.7
81.03423	0.8
81.07047	5.7
83.04977	1.2
84.21226	0.7
85.02900	0.7
91.05478	18.7
93.07027	5.9
95.04997	1.3
95.08618	3.2
97.06501	0.8
98.20740	0.8
98.97588	1.3
102.04686	0.8
103.05450	4.8
105.07023	9.5
107.04943	3.5
107.08574	5.1
109.02918	0.8
109.06526	2.3
109.10143	2.8
111.04469	0.7
111.08088	1.0
115.05433	14.9
116.06258	4.8
116.49150	0.7
117.07011	7.9
119.04921	0.8
119.08575	8.7
121.06484	1.8
121.10130	5.7
123.04349	0.7
123.08054	1.8
123.11700	1.1
128.06210	13.8
129.06999	44.6
130.07814	4.1
131.04913	11.4
131.05867	1.2
131.08560	44.9
132.05721	1.0
132.08926	0.8
133.06465	1.9
133.08629	0.7
133.10120	8.8
135.04372	0.7
135.08054	2.1
135.11679	2.4
137.05988	4.6
139.02187	0.6
141.06982	39.1
142.07788	0.9
143.04886	3.1
143.08533	4.0
144.05699	13.7
144.09352	0.8
145.06479	11.3
145.10129	7.5
146.07265	4.8
147.04407	1.1
147.08031	2.2
147.11688	2.8
148.05182	2.6
149.06004	1.5
149.09604	1.1
149.13171	1.2
153.06973	0.7
155.04871	0.8
155.06038	1.8
155.08638	0.8
156.05655	0.8
157.06473	23.5
157.10033	0.9
157.47668	0.7
158.05956	1.2
158.07271	24.7
159.04463	4.9
159.08043	38.1
159.11670	7.7
160.05200	6.4
160.07527	1.2
161.05904	2.1
161.09605	6.1
161.13264	4.2
162.06802	0.9
163.07501	3.6
163.11182	1.5
168.05740	0.9
169.06450	13.1
169.07660	2.3
170.07263	5.7
171.04411	1.4
171.08040	1.0
172.05159	2.0
173.05968	6.5
173.09601	2.6
173.13257	3.0
174.06758	74.7
175.07536	13.1
175.14833	2.4
176.04672	1.3
176.08289	1.4
177.05452	2.4
177.08998	1.2
177.12723	0.9
185.05894	0.9
186.06749	20.7
187.07518	11.5
187.11104	0.8
188.08345	4.9
189.09094	91.6
190.09418	2.2
191.07025	3.3
191.10661	7.6
191.14339	0.9
201.05312	2.0
201.09094	41.0
201.12767	1.4
201.16365	5.8
203.14304	15.4
204.04211	1.1
219.06522	4.9
219.10146	100.0
219.13765	3.4
219.17416	61.0
220.10529	3.2
220.17664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05519	1.4
57.03423	1.6
60.94551	0.9
67.05490	2.4
68.43251	1.1
69.07037	1.6
70.49921	3.2
75.63686	0.9
79.05486	1.4
81.07039	3.6
83.05009	1.5
91.05482	13.7
93.07018	3.0
95.04963	1.3
95.08578	2.7
103.05460	4.2
105.07054	6.8
107.08575	3.5
109.10138	1.4
111.39729	1.2
115.05452	10.1
116.06215	4.2
117.06988	4.2
117.46469	0.9
119.08543	3.8
121.10120	3.0
128.06213	11.8
129.06999	46.2
130.07735	1.8
131.04932	9.7
131.07613	2.0
131.08565	36.7
133.10120	4.6
137.05972	4.3
141.06982	40.4
142.07846	1.1
143.04918	1.9
143.08577	3.0
144.05716	5.5
145.06487	7.2
145.10085	3.2
146.07266	6.2
147.11638	1.9
148.05246	1.2
157.06477	21.3
157.07756	1.2
158.07274	23.3
159.04382	4.4
159.08060	26.8
159.11646	1.5
160.05190	6.1
161.09581	4.7
161.13278	1.4
163.07533	3.1
169.06479	15.2
169.07811	1.5
170.07225	7.7
171.04420	1.4
171.07999	1.6
173.06009	6.5
173.09550	1.7
174.06758	84.3
175.07535	14.5
185.06033	1.8
186.06734	17.8
187.07500	2.4
188.08284	3.5
189.09094	98.5
190.09387	1.6
191.06979	1.5
191.10655	7.7
201.09100	39.5
201.16368	2.3
203.14307	6.4
219.06598	2.7
219.10149	100.0
219.17398	24.9
220.10428	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	219.1013
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
53.03917	0.4
55.01868	0.8
55.05501	1.8
57.07059	1.1
59.23000	0.3
65.03941	0.5
67.05495	4.1
69.03420	1.0
69.07061	2.7
69.24156	1.2
69.24580	2.6
70.06587	0.7
71.04987	1.0
77.03915	0.4
78.04700	0.4
79.05489	4.7
81.07055	6.2
82.46365	0.4
83.04982	0.9
83.08595	0.6
88.07625	1.4
91.05474	11.1
93.07034	4.8
95.04967	1.4
95.08606	5.5
97.06504	1.7
102.66010	0.3
103.05454	2.8
104.06238	3.5
105.03429	0.5
105.07027	9.8
106.08643	0.8
107.04940	1.3
107.08580	7.5
109.06512	1.7
109.10144	5.6
111.08073	0.9
115.04613	0.4
115.05439	8.3
115.06190	0.7
116.06227	1.2
117.07011	9.7
119.04887	0.8
119.08569	7.8
120.05709	0.4
121.06489	1.7
121.10133	5.9
123.04427	0.7
123.08032	1.7
123.11654	1.1
125.09602	0.9
128.06209	2.7
129.07005	4.0
130.07745	1.0
131.04919	5.7
131.08566	5.0
132.05710	5.2
133.06479	1.1
133.10121	5.2
134.07231	0.6
135.08041	3.3
135.11679	3.1
137.09576	0.9
141.07010	1.6
142.07706	0.5
143.04922	0.6
143.08565	1.3
144.05708	1.8
145.06473	5.9
145.10114	8.3
145.11182	0.7
146.07251	1.3
147.04401	0.6
147.08047	6.6
147.11679	2.8
148.05215	0.6
149.09628	0.7
149.13275	1.0
157.06441	1.4
157.10127	0.8
158.07269	1.5
159.08035	2.9
159.11685	6.5
160.05185	6.1
160.08823	0.7
161.05975	1.8
161.09595	2.0
161.13228	3.7
163.07454	0.7
163.11169	2.2
163.14832	0.4
169.06396	0.8
170.10890	0.7
173.05968	1.2
173.09547	0.9
173.13228	2.8
174.06754	13.7
175.07530	34.6
175.14824	2.3
176.08096	0.6
177.09099	0.7
177.12781	0.5
177.16385	0.6
178.43619	0.4
186.06735	0.5
187.07492	0.7
187.11183	0.9
188.11929	0.6
189.09096	3.4
191.06987	0.7
191.10742	0.4
191.14305	0.6
191.17879	0.9
201.05486	0.6
201.09076	3.1
201.12709	0.7
201.16374	7.8
201.20447	1.0
203.14293	10.9
204.07776	0.5
219.10149	100.0
219.13739	3.3
219.17415	45.2
219.21422	9.5
220.10515	1.9
220.17732	0.8
229.00589	0.4
230.89105	0.4
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
52.94404	0.3
56.41430	0.3
57.06804	0.4
57.07073	7.1
58.06587	0.5
61.93621	0.3
62.06079	0.7
69.07058	0.3
69.35493	0.3
70.06590	13.2
70.49836	0.9
70.50172	0.4
71.08311	0.3
71.08633	3.9
88.07625	19.0
102.08559	0.6
102.09176	5.3
104.44073	0.3
106.08667	9.7
139.67532	0.3
156.17433	0.7
174.18504	1.1
190.41505	0.3
200.20087	8.2
218.21143	100.0
219.21501	1.3
225.17615	0.3
225.65388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67277	12.9
70.71152	43.6
94.06550	29.2
97.64657	13.7
98.97587	18.7
105.00905	15.0
107.04964	14.2
116.98596	25.4
121.35280	11.5
165.01704	13.8
190.44035	14.4
203.14337	38.1
219.02600	12.8
219.17445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01862	3.3
55.05487	2.5
56.96545	0.8
57.07074	1.4
57.38469	0.5
59.04991	1.5
61.02621	0.8
61.02922	12.5
61.16649	0.6
67.05486	2.3
69.03413	1.0
69.07059	2.3
70.80473	1.8
71.00976	1.0
71.01350	18.5
71.04943	0.6
75.04475	26.7
79.05464	1.5
81.07050	4.0
83.04968	1.8
87.04456	8.9
89.02392	4.0
90.05528	1.6
91.05471	2.5
93.07025	3.0
95.04959	2.0
95.08589	1.6
97.02863	0.6
98.97566	1.4
101.05999	0.8
103.03934	29.8
105.07021	5.6
107.08586	3.4
109.06498	1.3
109.10148	1.0
111.04419	1.1
111.08049	0.6
115.05432	1.1
115.89942	0.6
116.98608	1.5
117.06976	1.6
119.08575	7.8
121.06541	0.8
121.10133	8.5
123.08034	1.2
128.06227	0.6
129.06978	0.7
131.03398	5.6
131.04898	0.8
131.08533	2.5
133.06458	1.1
133.10121	6.5
134.99617	0.6
135.04391	0.6
135.08047	0.9
135.11691	1.9
142.07729	0.7
145.06470	2.0
145.10132	3.5
147.08037	1.3
147.11674	1.9
149.09578	1.0
149.13261	0.8
155.06967	0.8
157.07552	1.5
157.10139	1.1
159.02882	42.6
159.08054	1.2
159.11662	1.2
161.04500	0.9
161.09616	1.7
161.13231	4.0
163.03882	1.3
163.11214	0.8
170.11000	1.0
173.05963	1.6
173.09587	1.5
173.13240	1.5
175.14830	2.0
177.00708	0.5
187.02342	3.7
187.11189	1.5
188.11934	1.3
191.03366	0.6
191.07001	1.7
192.02870	2.1
197.98357	0.6
201.09056	0.7
201.12869	0.8
201.16377	1.0
203.14296	27.0
203.16217	1.3
204.23224	0.5
210.02754	0.7
219.02907	1.2
219.04630	2.9
219.06723	2.4
219.10243	2.5
219.17422	100.0
220.09575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1949
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
51.02419	1.0
53.03951	1.4
55.01865	1.4
55.05511	35.8
57.07056	4.2
57.07348	1.0
59.04982	2.9
61.40883	1.0
65.03935	1.9
67.05503	24.3
69.03408	1.6
69.07063	17.5
69.41660	9.2
73.02902	2.6
79.05489	9.3
81.06600	2.2
81.07053	31.1
83.04504	2.2
83.04978	39.6
83.08632	6.1
83.14689	1.0
84.05309	1.2
85.06503	2.5
85.63949	1.0
86.13334	1.1
87.04443	4.6
89.02381	4.1
89.06039	5.3
91.05471	16.3
93.07044	20.3
95.04949	2.2
95.08607	46.2
97.10137	3.4
99.04443	2.9
101.06016	14.6
105.07027	50.0
107.08588	34.2
109.06471	3.2
109.09389	1.9
109.10152	45.0
111.04438	48.4
112.04768	2.0
113.06009	6.9
117.06992	3.6
118.26319	1.1
119.08570	48.5
121.06432	1.3
121.10139	25.9
123.11697	16.8
127.07530	8.1
127.38598	1.0
128.06166	1.7
129.05478	14.0
129.06979	3.8
131.08578	9.3
133.06526	1.6
133.10124	37.4
135.11678	10.8
137.05969	1.7
137.13245	1.6
142.07816	2.3
143.08578	5.2
145.10114	5.7
147.07970	2.5
147.11687	40.0
149.09555	1.4
149.13217	2.7
155.07024	59.9
156.07353	2.1
156.09300	1.4
157.10100	6.9
159.11696	11.1
161.05988	1.1
161.09592	5.9
161.13258	38.0
171.11652	3.1
173.08101	35.7
173.13219	4.4
174.13956	1.9
175.11156	2.4
175.14807	15.8
188.15649	1.5
189.05333	1.7
189.16402	8.6
199.09619	2.9
199.14839	7.3
217.04955	1.7
217.08751	2.3
217.10634	32.0
217.12219	2.6
217.16042	25.1
217.19496	100.0
218.11108	1.3
218.19788	3.8
228.04001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03935	1.5
55.05274	1.1
55.05509	16.1
56.68016	0.9
57.07056	1.7
59.04976	1.3
60.05636	0.8
65.03922	1.1
67.05502	21.1
69.07062	22.7
70.85802	1.6
70.86109	1.4
71.08631	0.9
79.05491	9.0
81.04533	1.0
81.06598	1.5
81.07054	29.3
83.04503	1.5
83.04978	15.5
83.08617	5.6
85.06520	1.2
87.04449	2.1
89.02360	2.3
89.06015	2.7
91.05477	11.9
93.06483	1.5
93.07036	16.4
95.06085	1.3
95.08606	63.6
97.10164	1.9
101.06015	7.4
105.07026	40.5
107.06021	1.0
107.08586	33.7
107.09318	1.9
109.06498	1.4
109.10151	49.2
110.07153	3.3
110.10490	1.5
111.03735	1.7
111.04443	22.5
111.07986	1.5
112.04740	1.2
113.05988	2.8
117.07000	2.5
119.08576	33.2
121.10135	33.0
121.10774	0.6
122.07154	1.9
123.11703	13.7
127.07542	3.7
129.05475	9.7
130.20900	0.8
131.08586	2.2
133.07574	2.1
133.10121	20.4
133.66168	0.9
134.07120	2.6
135.06645	2.0
135.11682	8.5
136.08740	1.5
137.13225	2.1
143.08626	0.8
145.10103	1.2
147.06517	1.0
147.11676	28.2
148.12297	1.2
149.08202	2.5
149.13210	2.1
155.07016	39.8
156.07353	1.0
157.10030	1.2
159.11713	2.9
161.09615	1.5
161.13249	45.1
162.13829	1.0
164.67636	0.9
173.08113	24.2
173.13240	1.7
175.09831	4.4
175.11084	0.9
175.14789	8.8
176.09309	3.4
177.09949	1.6
177.11339	1.2
178.30466	0.9
180.07596	1.0
189.16382	4.6
190.10942	1.3
199.09616	1.8
200.09222	1.1
212.76942	1.0
217.10674	15.3
217.12221	8.9
217.15973	3.2
217.19501	100.0
218.10492	1.5
218.14053	2.6
218.19820	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	217.195
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03949	2.0
55.05508	46.2
57.07069	4.2
65.03909	1.7
67.05179	2.1
67.05503	23.5
69.03419	2.9
69.07067	21.9
71.08617	1.7
71.52283	2.6
73.02910	3.0
79.05495	10.9
81.07047	28.8
83.04496	2.7
83.04978	43.7
83.08604	6.6
85.06515	3.2
87.04453	5.2
89.02386	5.9
89.06023	6.7
91.05469	23.0
93.07041	18.1
95.04943	3.6
95.08602	53.6
97.10170	3.4
99.04430	2.9
101.06020	13.6
105.07022	56.9
107.08593	37.7
109.10152	46.3
111.04432	47.0
111.08015	2.8
113.06011	9.8
117.07005	2.9
119.07713	2.5
119.08578	52.9
121.10131	30.2
123.11689	18.3
127.07549	9.3
128.06210	1.8
128.65125	1.8
129.05482	20.6
129.06981	3.9
131.08548	8.0
133.06500	2.1
133.10127	42.2
135.06631	1.9
135.10762	2.3
135.11659	14.1
137.13229	3.4
142.07744	1.8
143.08496	2.9
145.10094	6.5
147.08008	2.9
147.11679	45.4
149.13264	4.9
155.07027	69.5
157.10146	7.4
159.11679	8.4
161.09575	5.0
161.13252	42.6
171.11710	2.2
173.08105	42.7
173.13280	4.3
174.14084	1.8
175.11133	2.8
175.14822	16.7
189.12715	2.4
189.16379	8.5
199.09669	4.5
199.14761	3.9
217.05026	2.1
217.08607	2.3
217.10573	34.4
217.12148	3.9
217.16150	18.3
217.19504	100.0
225.68114	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	217.195
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03942	0.7
55.01852	0.6
55.05506	13.0
57.07084	0.5
59.05003	0.8
65.03925	0.6
67.05500	22.8
69.03418	0.9
69.07063	7.9
69.39394	2.8
69.39815	1.4
73.02895	0.7
79.05487	7.5
81.07052	17.4
83.04979	12.0
83.08604	2.5
85.06543	1.0
87.04465	1.5
89.02396	1.0
89.06026	2.1
91.05473	8.9
93.07040	16.0
95.04971	1.0
95.08601	100.0
95.24689	0.4
96.08886	0.7
97.10167	0.9
99.04445	0.9
101.06004	4.4
105.06315	0.7
105.07027	16.9
107.08586	23.6
109.06516	1.1
109.10149	29.4
111.04437	16.0
111.11770	0.6
113.05997	1.7
113.92941	0.4
115.05439	0.7
117.07025	1.4
119.08576	12.6
121.10135	28.6
123.08082	0.7
123.11691	13.1
127.07550	2.3
128.06187	0.7
129.05464	4.4
129.07008	2.0
131.08582	2.6
133.06450	0.8
133.10123	12.7
135.11690	10.6
136.14223	0.5
137.05962	0.6
137.13243	0.7
141.06993	0.6
142.07794	1.0
143.08569	2.1
144.09351	0.6
145.10106	2.3
147.08034	1.3
147.11679	19.1
149.13258	1.4
155.07018	20.4
156.07335	0.8
157.06474	1.0
157.10139	3.1
159.11659	4.2
161.05856	0.5
161.09688	2.5
161.13239	17.0
169.03465	1.3
171.11702	0.7
173.08110	10.3
173.09552	0.5
173.13226	1.3
173.24898	0.5
175.11163	2.2
175.14819	4.2
184.12433	0.5
185.09627	0.9
187.11163	1.2
189.12675	0.8
189.16385	2.6
199.09526	0.9
199.14784	2.9
202.13426	0.5
217.08704	0.8
217.10672	8.9
217.12329	3.1
217.16002	24.3
217.19489	75.9
218.16228	0.8
218.19902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03946	1.5
55.01874	0.5
55.05508	7.1
57.07084	0.7
59.04993	0.7
65.03941	2.0
67.05502	5.2
69.03417	1.5
69.07069	3.4
70.87507	0.9
70.87843	0.8
71.05002	0.4
79.05490	12.2
81.07054	11.2
83.04977	9.1
83.08587	1.0
87.04471	0.6
89.02402	0.9
89.06027	1.5
91.05480	14.4
93.07040	11.8
95.04974	2.9
95.08606	3.6
97.06526	0.9
101.06033	2.4
105.07032	14.3
107.08588	100.0
107.17749	0.4
108.08926	1.2
109.06515	9.2
109.10155	3.6
111.03719	0.8
111.04442	10.9
111.08074	4.7
113.06013	1.6
115.05447	0.7
117.07037	1.2
119.06059	1.9
119.08572	6.6
121.06503	4.0
121.10143	2.1
123.08079	1.1
125.09680	0.4
127.07557	2.3
128.06200	1.3
129.05479	2.6
129.07010	1.9
131.08549	3.5
133.06508	0.6
133.10141	5.3
135.08073	2.4
135.11681	7.8
137.09622	0.8
142.07768	2.1
143.08559	4.2
145.10127	1.9
147.08034	2.5
147.11684	4.3
149.09570	1.1
155.07028	13.1
156.05716	0.6
156.09383	0.6
157.06412	0.5
157.10107	5.5
159.11685	4.0
161.06033	0.5
161.09601	7.7
161.13281	0.8
169.10118	0.5
171.11662	2.5
173.08105	7.1
173.13303	2.0
175.11200	3.6
175.14830	0.6
189.09087	0.6
189.12729	1.5
189.16364	2.1
199.09593	0.7
199.11224	0.8
199.14775	5.6
202.13574	1.2
217.08707	1.0
217.10692	5.9
217.12350	1.9
217.15860	22.3
217.19321	0.9
218.16310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
52.41039	1.1
53.03942	2.0
55.01860	3.0
55.05511	35.9
57.07069	2.3
59.04995	15.9
63.45079	1.1
65.03905	1.2
67.05505	11.9
69.03411	4.3
69.07059	7.4
70.41132	2.4
70.41524	3.4
71.04977	8.2
73.02911	1.9
73.06552	11.0
76.79207	1.3
77.03903	1.6
77.22303	1.3
79.05495	8.6
81.07069	10.2
83.04976	37.8
83.08591	4.2
85.06548	8.9
87.04456	4.6
89.02356	1.7
89.06015	6.3
91.05477	16.6
93.06563	1.6
93.07045	16.0
95.04945	3.5
95.08608	14.3
97.06522	3.1
98.20711	1.3
99.04465	2.0
101.06010	11.1
103.05425	1.8
105.07023	54.5
107.08585	12.2
108.73284	1.5
109.06496	5.5
109.10132	12.6
111.04437	48.4
111.08064	3.3
113.05994	8.2
115.05433	2.4
117.07001	13.4
119.08578	31.8
121.06471	3.2
121.10139	8.3
123.08046	3.8
127.07558	8.9
128.06190	5.6
129.05487	11.5
129.06985	12.9
130.07758	5.5
131.08568	22.6
133.06458	5.2
133.10115	25.6
135.07996	2.8
135.11665	3.9
137.09613	1.7
141.07019	2.7
142.07780	16.6
143.08543	18.6
144.09334	6.0
145.10117	100.0
146.10484	1.3
147.08040	75.2
147.11678	11.5
149.09579	2.1
155.07028	66.5
156.09311	6.0
157.10118	48.8
158.10828	2.0
159.08072	2.4
159.11690	54.5
160.12041	1.7
161.09621	22.9
161.13190	3.0
169.10094	2.4
170.10895	2.7
171.11685	12.0
173.08095	36.3
173.13210	9.7
174.10330	3.2
175.07567	1.7
175.11165	15.7
175.14812	5.7
175.43034	1.5
184.12595	3.0
189.05482	1.8
189.12717	4.5
189.16357	6.0
199.09637	3.9
199.14819	28.8
217.05002	1.4
217.08606	4.0
217.10684	27.8
217.12230	3.0
217.15858	76.8
217.19435	4.0
230.16092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
55.01853	1.6
55.05511	9.8
57.07054	3.5
67.05505	7.4
69.03408	2.1
69.07074	5.9
70.06595	1.7
70.86691	1.2
70.87005	1.4
71.08616	3.9
79.05506	6.2
81.07043	10.6
83.04974	12.5
83.08601	1.6
88.07597	1.9
88.34151	0.9
89.02399	0.9
89.06022	1.4
91.05478	11.7
93.06483	1.0
93.07046	10.8
94.92400	0.8
95.04955	2.9
95.08174	0.7
95.08619	8.0
95.53780	1.0
97.06512	1.8
101.04562	0.9
101.06013	3.1
105.07032	25.1
106.08621	0.9
107.04925	2.6
107.08594	46.5
109.06531	11.1
109.10141	11.7
111.04451	10.5
113.05959	1.4
115.05382	1.2
117.06979	3.1
119.08584	15.2
120.62006	0.9
121.06501	24.9
121.10120	3.7
123.08025	2.8
127.07559	1.2
128.06207	2.1
129.05466	2.0
129.07019	6.3
131.04929	1.2
131.08553	6.2
133.06461	3.8
133.10112	14.7
135.08055	27.1
135.11652	5.2
137.05980	1.2
142.07777	6.0
143.08542	6.7
144.09259	1.7
145.06458	1.9
145.10143	4.6
146.07277	7.5
147.08040	14.5
147.11658	4.0
149.09595	2.8
152.59593	1.0
155.07037	13.8
155.08344	1.6
156.09306	1.7
157.06509	4.2
157.10130	15.3
159.08058	2.2
159.11699	11.8
160.08839	5.5
161.09618	100.0
161.13251	2.3
162.10036	2.6
167.08557	2.1
170.07179	2.0
171.11671	3.7
173.08090	5.8
173.09572	1.6
173.13235	5.1
174.10332	1.4
175.11189	45.4
175.14771	3.4
176.08276	1.3
185.09569	5.2
189.12723	2.7
189.16380	2.5
199.11264	1.1
199.14851	9.8
217.08607	1.8
217.10587	3.7
217.12570	17.4
217.15863	86.6
218.12517	0.9
218.16231	2.3
218.21161	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	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03933	3.9
53.64250	1.6
53.70742	1.4
54.55375	1.7
55.01867	5.3
55.05513	48.6
57.03421	3.9
57.07061	9.9
59.04995	6.1
67.05500	21.8
69.03419	4.4
69.07066	100.0
69.84753	10.8
71.04996	14.2
71.08624	2.7
79.05484	22.4
81.07056	71.2
83.04984	9.0
83.08626	21.8
85.06540	31.9
91.05482	8.6
93.07040	44.2
95.04969	2.2
95.08607	92.8
97.06544	10.7
97.10165	21.2
99.08096	23.6
103.05427	3.9
105.07037	11.4
107.04948	31.1
107.08591	59.1
109.10154	32.7
111.08087	3.9
111.11729	11.2
113.09646	14.5
119.08541	3.6
121.09229	3.6
121.10135	72.3
123.04456	3.5
123.11688	11.3
124.05092	2.2
125.09633	11.2
125.13289	1.8
127.11173	2.5
128.06236	1.9
129.06970	3.6
133.10117	1.9
135.08057	4.4
135.11685	34.8
137.13258	32.8
139.03847	2.2
139.11180	12.1
141.05388	2.3
141.06949	2.1
142.07791	2.3
143.08568	4.0
149.13249	8.0
151.03987	2.8
151.14803	4.6
153.12758	7.6
156.09320	2.9
157.10078	4.8
163.07515	9.0
165.07047	2.6
167.03401	7.6
167.07050	42.4
167.08438	3.0
171.11613	3.7
173.43402	2.0
177.16389	73.3
195.10155	6.0
195.11789	2.4
195.17439	10.4
213.05473	9.6
213.09099	5.1
213.12793	6.2
213.16389	5.1
213.18437	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	215.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72962	0.4
55.05511	3.2
57.07055	1.0
59.32642	0.4
60.43014	0.4
67.05505	7.0
69.07069	5.6
69.27248	4.2
69.80063	0.5
71.00922	0.4
79.05492	5.8
81.07056	7.2
83.00107	0.4
83.08606	1.6
91.05477	5.8
93.07047	8.0
94.81490	0.5
95.04960	0.5
95.07996	0.6
95.08605	11.0
97.10165	0.9
98.19518	0.4
103.23734	0.4
105.07028	15.5
107.08601	9.8
109.10152	9.7
115.05423	0.9
116.06246	0.7
117.07022	8.2
119.08585	24.5
121.10147	7.5
123.11691	1.2
127.05551	0.4
128.06232	0.6
129.07002	1.3
130.07748	2.1
131.07617	1.0
131.08572	16.5
133.10124	8.6
135.11702	1.8
139.01587	0.5
143.08496	2.2
144.09363	2.6
145.10130	29.3
146.10912	0.9
147.11710	4.4
157.10129	2.8
158.10931	0.7
159.08076	0.8
159.11697	31.3
160.12350	1.5
161.13358	0.4
171.11682	2.6
172.12431	2.3
173.09734	0.6
173.13280	14.6
185.13272	3.7
186.13989	2.0
187.14845	4.5
200.15604	7.9
213.16405	0.6
215.14406	4.3
215.17957	100.0
216.18285	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	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01859	2.7
55.05512	6.6
57.03429	1.7
57.07064	1.3
61.02913	0.6
65.03914	1.2
67.05508	4.1
69.03412	3.0
69.07050	3.4
70.06582	1.3
71.04982	2.0
71.51592	1.2
78.04702	2.4
79.05489	18.6
81.03410	2.1
81.07052	9.7
83.04962	1.3
83.08624	1.6
85.06559	1.1
88.23737	0.7
91.05472	8.1
92.47067	0.7
93.07029	8.0
95.04967	5.6
95.08593	4.8
97.06482	3.4
97.10155	0.8
99.04434	2.2
103.05463	9.4
105.07032	9.2
106.04174	2.0
107.04951	60.5
107.08582	5.9
109.02843	1.1
109.06541	2.2
109.10149	2.2
110.03654	1.5
111.04408	1.5
111.08084	1.2
115.05460	5.6
117.07018	1.9
119.08586	1.9
120.05717	2.3
121.06503	3.6
121.10139	8.2
122.03635	1.0
123.04429	8.6
123.08061	3.2
123.11686	1.3
124.05240	4.1
125.05995	7.7
125.09670	1.7
127.03918	1.1
128.06229	2.3
129.06969	1.9
131.04898	3.0
131.08533	4.1
133.02812	0.9
134.03697	1.0
135.04411	2.7
135.08041	16.8
135.11674	1.4
137.05981	2.7
139.03888	1.4
139.11186	2.2
140.04659	1.0
141.05452	2.2
141.06958	1.2
141.89265	0.8
142.07758	2.9
143.08560	3.3
145.07603	0.8
147.04424	1.3
148.05164	0.7
149.05931	1.5
149.09610	16.7
149.13316	1.1
151.03917	5.6
152.04721	2.0
152.06148	1.3
153.01898	1.5
153.05444	2.7
153.06686	0.8
153.09119	1.3
153.12721	1.0
154.06252	2.9
154.07550	0.6
155.08565	1.2
156.09230	1.1
157.06458	1.6
157.10114	4.2
159.11650	1.0
163.03888	0.9
163.07538	28.9
165.05536	1.7
165.06969	1.4
167.07037	100.0
167.10707	2.1
167.74802	0.7
168.07373	2.3
169.10144	1.2
170.07248	1.0
171.08087	1.9
171.11707	2.9
177.05557	0.8
177.09099	7.6
177.12671	0.9
177.16415	1.0
180.07799	3.0
180.09253	1.5
185.05881	0.8
185.09595	2.3
185.13202	2.0
195.06479	2.8
195.08331	1.5
195.10172	20.2
195.11674	1.4
195.13818	2.0
198.10419	0.9
213.05534	7.7
213.09381	4.2
213.11142	2.0
213.12929	5.6
213.16367	6.0
213.18283	1.2
231.06429	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	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03946	1.2
55.01871	1.1
57.14036	0.3
65.03931	0.4
67.05471	0.4
69.03419	0.4
70.86853	1.0
71.13178	0.3
73.60601	0.3
78.04707	2.4
78.06487	0.4
79.05025	0.4
79.05486	8.5
81.07047	0.8
91.05470	4.7
93.03387	0.4
93.07031	0.8
95.04962	2.8
95.08553	0.6
96.05752	0.4
96.30543	0.4
98.97594	1.1
103.05460	9.1
105.03374	0.8
105.04516	0.5
105.07038	5.7
106.04153	1.6
107.04951	59.7
107.08591	1.0
108.05281	0.4
108.68488	0.5
109.02866	0.5
109.06531	0.6
111.04451	0.5
111.08065	0.4
115.05463	4.4
116.98603	0.7
117.07009	1.3
119.04954	1.0
119.08581	0.4
120.05680	1.9
120.24585	0.3
121.06485	0.7
121.10125	0.4
122.03625	0.5
123.04417	6.3
124.05223	3.1
124.37843	0.3
125.05991	1.1
131.04947	2.2
133.06516	0.6
134.03601	0.5
135.08054	15.8
137.05980	1.6
139.03824	0.5
145.06517	0.4
145.07585	1.4
147.04375	1.4
149.05995	0.6
151.03893	1.5
152.04688	3.0
154.06216	2.4
158.99672	0.4
163.07536	24.9
164.08116	0.4
165.05470	1.0
167.07028	100.0
168.07352	1.4
180.07806	2.8
195.10159	14.7
213.11115	2.3
215.52722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
53.03945	3.7
55.01863	2.2
55.05507	4.1
55.48206	0.7
56.96551	0.7
57.03447	0.7
65.03937	1.0
67.05487	2.9
68.99754	0.6
69.03411	1.5
69.07061	3.0
70.06579	2.4
70.31899	2.7
71.04981	0.9
76.07913	0.6
78.04701	2.8
79.05489	14.1
81.03423	5.1
81.07030	3.6
83.04970	1.2
83.08607	1.0
85.06540	1.1
85.82870	0.7
88.07620	1.2
91.05466	6.3
92.27985	0.6
93.07039	4.9
95.04963	5.0
95.08592	2.4
97.02905	2.3
97.06530	1.4
98.21539	0.6
98.97582	0.7
103.05470	8.5
105.07021	8.6
106.04158	1.9
107.04951	65.2
107.08572	3.2
109.06508	1.6
109.10120	0.6
110.03673	0.9
111.04441	1.1
111.08095	1.1
115.03909	0.9
115.05442	4.6
117.07008	1.8
119.04941	1.3
119.08590	0.9
120.05704	1.9
121.02843	0.8
121.06456	2.3
121.10147	3.9
122.03624	0.8
123.04415	7.8
123.08107	1.2
124.05227	3.5
125.02327	2.2
125.05997	5.5
128.06192	1.5
129.06985	2.4
130.27446	0.7
131.04921	2.7
131.08531	1.5
133.02890	0.9
133.06505	0.8
135.04420	1.9
135.08044	16.2
135.11719	0.8
137.05988	2.0
138.81020	0.6
139.03894	1.0
139.07487	1.6
141.05455	6.3
142.07738	1.6
143.03392	2.5
143.08545	1.6
145.07607	1.0
147.04420	1.6
149.05966	1.6
149.09583	4.3
149.13248	1.3
151.03929	4.0
152.04678	4.6
153.05452	5.4
153.09018	0.8
154.06215	2.5
157.06470	1.5
157.10110	2.4
163.03874	2.5
163.07541	25.5
165.05505	0.7
167.07034	100.0
168.07312	1.8
170.07248	0.7
171.08005	0.8
171.11671	1.3
177.09114	2.5
177.12740	0.7
180.04163	1.9
180.07835	4.0
181.04967	1.5
184.05144	1.9
185.05879	0.7
185.07254	0.7
185.09608	1.7
185.13219	1.2
193.63724	0.6
195.06514	13.8
195.08139	1.9
195.10136	17.9
195.11885	1.4
195.13716	1.2
198.05260	1.1
213.05641	3.6
213.07393	0.8
213.09091	3.1
213.11226	3.3
213.12773	2.6
213.16357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03935	1.6
55.01848	1.0
55.05501	0.9
56.96531	0.4
57.03434	0.7
65.03940	0.8
67.05477	1.0
69.03399	0.8
69.07059	0.7
69.85439	1.8
69.85844	1.0
73.02901	0.8
77.03923	0.6
78.04713	2.6
79.05490	10.6
81.03398	0.6
81.07040	2.0
83.08567	0.5
85.06537	0.7
87.44604	0.5
91.05476	7.2
93.07044	2.7
95.04964	4.4
95.08582	1.2
103.05457	8.2
105.03447	0.5
105.07027	9.3
106.04132	1.4
107.04948	56.8
107.08572	6.0
108.05280	1.1
109.02848	0.5
109.06507	1.1
115.05437	4.0
116.06259	0.6
117.07003	1.4
119.04923	1.0
119.08521	0.8
120.05695	2.7
121.06496	1.2
121.10133	9.8
122.03627	0.6
123.04409	6.0
123.08053	4.6
124.05237	4.0
125.05996	1.4
125.09596	1.3
131.04926	1.8
131.08539	1.3
133.02885	0.5
133.06459	0.5
133.10133	0.8
135.04350	0.8
135.08052	15.3
137.05952	1.5
139.03835	0.6
145.07587	1.5
147.04408	1.0
149.05968	1.2
149.09610	7.6
151.03911	2.2
152.04674	2.8
154.06290	2.6
163.07532	26.3
165.05472	0.6
167.03366	2.0
167.07025	100.0
167.10660	2.5
168.07353	1.5
169.08591	2.7
177.07671	0.8
177.09114	9.2
180.07846	3.2
180.09166	0.7
181.08649	0.7
185.13313	0.5
195.10158	18.8
213.05316	0.7
213.11185	7.9
213.12781	0.5
215.09869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44861	0.3
53.03941	1.1
55.01869	0.9
56.62237	0.3
57.03415	0.4
57.54212	0.3
65.03904	0.4
69.03413	0.3
69.83049	1.9
78.04709	2.3
79.05494	8.0
81.03404	0.4
81.07054	1.0
88.80384	0.3
91.05469	3.9
93.03396	0.5
93.07018	1.2
94.04169	0.3
95.04959	2.0
99.04486	0.3
103.05460	7.1
105.03368	0.3
105.07018	6.0
106.04165	1.4
107.04948	54.4
107.08584	2.0
108.05292	0.8
109.02893	0.4
109.06561	0.6
110.03629	0.5
111.08121	0.4
115.05464	3.3
115.20103	0.3
117.06977	1.5
119.04955	0.8
119.08572	1.1
120.05706	2.3
121.02854	0.3
121.06461	0.7
121.10130	0.7
122.03667	0.6
123.04417	6.1
124.05202	3.6
125.05994	1.3
131.04953	2.2
131.08578	0.8
133.06470	0.5
135.04411	0.9
135.08046	15.4
136.08318	0.3
137.05968	1.1
139.03867	0.4
140.04639	0.5
145.07588	1.3
147.04405	1.4
149.05946	0.4
149.09634	0.7
151.03877	1.8
152.04674	2.0
153.05434	0.4
154.06218	2.5
155.06949	0.4
163.07536	28.0
164.08066	0.4
165.05475	1.0
167.07021	100.0
168.07321	1.7
169.08141	0.5
177.09158	1.8
180.07790	3.2
181.08514	0.4
195.10152	15.8
197.73740	0.3
213.11165	3.9
213.12816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02383	1.0
53.03931	2.2
55.01854	1.9
55.05511	0.9
61.02920	10.9
65.03673	0.6
65.03944	7.5
67.05491	4.1
69.19592	7.6
71.01340	0.8
71.04982	0.6
72.08154	0.7
77.03928	1.1
79.05489	20.2
81.07052	1.5
85.02858	0.8
89.03918	1.7
91.05471	8.7
93.03396	7.7
93.07037	2.5
94.04199	0.7
95.04961	6.6
95.08636	0.9
103.05484	0.6
105.03376	2.0
105.04520	0.8
105.07038	1.2
107.04951	29.6
108.02092	3.0
109.02897	0.9
109.06525	1.9
110.03655	24.9
110.04386	1.3
111.04444	15.3
117.03355	1.1
119.04913	4.2
121.06499	12.4
122.03601	5.8
123.04449	0.9
124.05213	1.0
125.05989	65.2
127.46071	0.7
129.13684	0.7
133.02853	13.9
134.03618	0.9
135.04405	28.4
135.05441	1.6
137.05984	6.4
140.04666	2.9
141.05460	4.7
142.18483	0.6
143.07007	0.7
148.97331	1.1
149.05969	22.5
149.07138	1.2
149.09590	0.6
150.03125	11.5
151.03909	100.0
151.05029	11.9
152.04312	1.9
152.24962	0.7
153.05452	15.4
153.06607	1.2
155.07050	1.7
157.06435	0.9
162.03128	2.2
163.03903	9.4
165.05467	39.2
167.03409	1.9
167.07031	18.7
167.08441	1.0
177.03880	1.2
177.05470	21.2
181.04947	0.8
190.22070	0.7
195.06529	15.5
195.08260	1.0
213.05481	2.7
213.07599	7.8
213.09296	1.0
213.12755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02392	0.4
53.03946	2.9
55.01866	1.3
55.05504	2.3
59.37186	0.4
61.46173	0.4
66.04733	0.5
67.05492	2.0
69.03432	0.9
69.07052	2.0
70.06580	1.3
70.82601	0.6
71.04985	0.7
74.43762	0.4
78.04696	2.8
79.05023	0.6
79.05492	11.6
81.03422	2.6
81.07063	2.8
83.04937	0.6
83.08611	1.0
85.02905	0.6
85.06557	0.6
91.05086	0.4
91.05485	4.7
93.03404	0.5
93.07040	2.5
95.04980	3.3
95.08595	1.1
96.05750	0.5
97.02926	0.6
97.06508	1.2
99.04447	0.5
100.11229	0.6
103.05458	8.6
105.04517	0.7
105.07029	6.7
106.04158	1.7
107.04954	57.4
107.08602	2.2
109.06503	0.9
109.10168	0.5
111.04400	0.9
111.08084	0.9
115.03890	1.3
115.05439	3.8
116.06183	0.5
116.98663	0.4
117.06995	1.4
117.99649	0.4
119.04922	1.0
119.08600	0.8
120.05710	2.7
121.06478	2.0
121.10126	1.7
122.03605	0.6
123.04433	5.9
123.08137	0.5
123.11678	0.6
124.05228	3.1
125.02353	1.8
125.06017	2.8
125.09599	0.9
128.06256	0.6
131.04903	2.5
131.08562	1.4
133.02808	0.6
133.06453	1.0
134.03607	0.6
135.04424	1.5
135.08055	14.8
137.05968	1.7
139.03903	0.9
139.07478	0.6
141.05472	3.8
143.03409	2.1
143.08572	0.7
145.06505	0.5
145.07541	1.0
147.04385	1.1
148.05180	0.5
149.05942	1.0
149.09648	2.1
149.13278	0.7
151.03883	3.0
152.04660	2.2
153.05457	2.9
153.12692	0.7
154.06206	2.7
155.08563	0.6
157.10152	2.0
163.03899	0.8
163.07542	25.2
164.07892	0.4
165.05528	0.9
165.06892	0.5
167.07031	100.0
168.07370	1.4
171.08006	0.8
171.11646	0.7
177.09100	1.8
177.12593	0.5
180.07799	3.4
181.08662	0.9
184.05249	0.6
185.05872	0.6
185.09578	0.7
195.06567	2.6
195.08221	0.9
195.10156	17.1
195.11632	0.7
198.10307	0.5
201.65770	0.4
213.05501	1.7
213.09070	1.4
213.11223	3.3
213.12785	1.5
213.16370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
53.03934	0.8
55.01869	3.1
55.05505	2.3
59.06094	0.5
65.03939	3.7
67.05499	1.1
67.25777	0.4
68.02635	0.4
68.71899	0.4
69.03413	0.8
69.07042	0.5
69.57949	0.9
69.58360	1.6
70.06576	0.8
71.01325	0.6
71.05008	0.6
73.02917	24.5
79.05477	1.4
81.03410	1.6
81.07040	1.0
83.04962	1.7
85.02892	0.6
88.07617	0.4
91.03965	0.8
91.05466	2.3
93.03394	0.8
93.07037	1.1
95.04964	1.6
95.08594	0.6
96.02113	1.2
96.59396	0.4
97.02888	1.4
97.06541	0.7
97.97261	0.4
98.97602	0.5
103.05479	0.6
107.01312	0.7
107.04964	4.3
107.08586	1.2
109.02872	6.6
109.06491	0.8
110.03685	0.6
111.04466	3.0
112.03883	0.5
117.07047	0.4
119.04926	1.8
119.08574	0.8
121.06519	1.0
121.10098	0.7
123.04420	1.4
124.01522	0.5
125.02327	1.8
125.06015	1.6
126.03139	3.7
129.06976	0.7
130.96310	0.5
131.08534	0.6
133.02824	0.8
135.04420	3.1
135.08072	0.6
137.05945	0.7
139.03880	1.4
139.05406	0.4
141.05464	21.7
145.06419	0.7
148.97313	0.9
149.06010	0.7
149.09641	0.6
151.03882	2.8
152.04683	0.5
153.01765	0.7
153.05496	3.7
157.04974	12.0
157.06308	0.9
157.10086	0.7
163.03922	1.2
163.07533	0.5
165.05482	3.3
167.03397	100.0
167.07019	4.8
168.03748	1.6
177.09077	0.5
181.04951	4.6
185.05986	0.7
195.06532	22.5
196.06668	0.4
213.05516	2.6
213.07578	8.5
213.09557	0.8
213.12907	0.7
213.16296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.02379	0.8
53.03942	2.0
55.01863	4.5
55.05511	17.3
55.87238	0.8
57.03428	3.5
57.07080	4.5
59.05002	5.5
65.03931	1.7
67.05502	33.6
68.05872	0.7
69.03419	3.3
69.07065	20.4
69.86772	3.7
71.04992	9.6
71.08620	1.2
73.34153	0.7
77.03907	1.1
78.04702	2.2
79.05486	12.1
79.50839	0.7
80.05800	1.0
81.03413	2.5
81.07052	35.6
82.07365	0.9
83.01318	1.0
83.04974	9.0
83.08611	12.0
85.02889	0.8
85.06537	6.4
91.05477	14.2
92.05833	0.8
93.07037	26.6
94.04164	1.1
95.04967	8.5
95.08602	100.0
96.08949	1.7
97.06537	6.6
97.10168	3.9
99.04451	3.2
99.06924	0.7
99.08114	3.8
101.06009	1.4
103.05473	5.8
105.07023	13.9
106.04180	1.6
107.04963	1.9
107.08583	26.6
108.08948	1.3
109.02870	1.3
109.06503	10.0
109.10149	71.7
110.10483	1.6
111.04409	1.0
111.08070	22.5
113.06024	1.5
113.09662	1.8
115.05456	1.4
115.07578	4.2
117.07008	1.6
119.04952	1.1
119.08575	28.5
121.06493	10.6
121.10136	22.9
122.03605	0.9
122.07251	1.1
123.04425	9.7
123.08058	24.8
123.11697	18.0
124.05183	1.5
125.02377	1.2
125.09600	5.6
127.07591	1.3
127.11147	1.5
129.06992	0.8
129.09109	0.8
131.08553	1.3
133.02853	1.0
133.06503	2.2
133.10112	27.7
135.04437	0.8
135.08020	1.1
135.10809	0.9
135.11676	34.7
137.05974	3.4
137.09607	45.6
137.13196	3.6
138.10416	4.4
139.11127	6.6
141.07013	3.9
141.09027	0.9
145.10197	0.9
146.07314	0.7
147.11685	7.0
149.05980	13.6
149.13243	10.5
150.03181	1.2
151.03906	3.4
151.07518	2.6
151.11127	5.4
151.14830	4.6
152.04742	0.8
153.06981	2.9
153.12746	1.8
155.08539	5.7
155.10674	1.1
161.05992	2.0
163.11191	1.8
163.14793	7.9
165.05525	2.9
165.06970	16.4
165.12753	5.4
165.16385	3.8
166.06238	2.9
166.07457	1.1
167.07033	53.0
168.05855	1.7
168.07410	2.2
169.06488	1.9
169.10162	0.8
170.26343	0.7
175.14818	37.0
176.15149	1.0
179.07027	7.5
180.07794	0.9
181.08594	12.8
181.15871	2.1
183.08041	13.7
191.82513	0.8
193.04968	2.7
193.06511	2.2
193.08606	2.3
193.12297	1.7
193.15907	24.6
199.49017	0.8
211.05904	1.9
211.07562	8.6
211.09613	2.6
211.11420	1.2
211.13182	1.4
211.15070	1.2
211.16930	36.7
212.17162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.94160	0.6
53.03939	2.4
55.01871	2.1
55.05509	11.4
57.03433	3.2
57.07072	3.7
59.05006	3.5
65.03949	1.3
67.05505	24.0
69.03431	3.8
69.07067	14.8
71.04990	4.0
71.08633	0.7
71.51279	0.9
75.57884	0.6
78.04719	1.1
79.05496	7.7
79.86308	0.6
81.03426	6.3
81.07055	23.7
81.24825	0.7
83.01366	0.7
83.04975	5.6
83.08620	9.8
85.02922	0.8
85.06546	3.8
91.05473	10.0
93.07045	14.4
95.04958	7.3
95.08605	100.0
96.08942	1.3
96.18030	0.6
96.84268	0.6
97.02894	3.2
97.06509	3.6
97.10168	2.7
99.04468	1.9
99.08083	1.5
101.02386	0.7
101.06010	1.6
101.51106	0.7
103.05450	3.0
105.04546	0.6
105.07021	9.3
107.04964	1.3
107.08586	13.2
108.05768	0.9
109.02850	0.8
109.06513	4.3
109.10153	30.2
110.10458	0.7
111.04446	1.1
111.08083	3.7
112.02071	0.6
115.07578	5.0
119.04935	1.7
119.08585	8.2
121.06480	3.7
121.10130	7.7
123.04431	8.0
123.08069	3.9
123.11707	7.5
124.05190	1.2
125.02346	1.3
125.09630	3.3
129.07054	1.0
131.08588	1.8
133.02846	1.0
133.06499	2.0
133.10120	7.8
135.04413	1.2
135.11685	11.5
137.05972	4.5
137.09612	6.8
137.13240	1.2
139.11156	3.3
147.04366	1.7
147.11661	3.6
149.06007	4.3
149.09599	0.8
149.13274	3.8
151.03943	2.2
151.07588	3.6
151.11192	3.7
151.14810	1.3
153.06972	0.8
153.12808	1.0
155.08560	1.7
157.10147	0.9
161.05986	1.3
163.14825	8.8
165.05493	1.7
165.09064	1.2
165.12717	1.5
165.16367	1.8
166.06256	0.9
167.07042	30.3
167.08334	1.0
168.07399	1.1
169.10120	2.2
175.11191	1.0
175.14827	14.4
177.34003	0.6
179.03403	0.9
179.07028	11.1
181.04971	1.0
181.06483	0.7
181.08583	4.5
181.10066	1.0
181.15874	2.8
183.06659	0.7
189.41475	0.7
193.05016	1.9
193.08614	1.6
193.10214	0.7
193.12178	2.4
193.15887	14.4
196.08818	0.9
196.12500	0.8
211.05965	1.8
211.07602	1.5
211.09532	2.2
211.11223	2.2
211.13028	1.3
211.14859	3.2
211.16901	29.9
212.16991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.6
55.01861	4.3
55.05508	22.6
57.03436	6.8
57.07069	5.1
59.04990	3.2
61.39180	1.2
64.62820	1.0
65.03938	1.6
67.05504	39.6
69.03439	5.7
69.07069	17.2
69.42444	5.7
69.42872	4.8
71.04985	8.9
71.08612	2.8
75.66566	1.0
75.71798	1.0
79.05496	9.3
80.01027	1.1
81.03402	3.4
81.07052	39.1
83.04990	14.4
83.08622	14.7
85.06544	10.4
85.49158	1.1
91.05472	12.5
92.51662	1.2
93.07042	26.1
93.07630	1.3
95.04969	10.5
95.08605	67.7
96.08973	1.3
97.06528	8.4
97.10162	3.5
98.21590	2.3
99.04469	1.5
99.08070	3.9
102.14735	1.2
105.07035	18.5
107.08591	28.8
107.09303	1.8
109.06512	16.1
109.10152	100.0
110.10455	1.9
111.08070	40.8
113.06016	3.3
113.09624	1.7
115.07548	3.6
118.04226	1.3
119.08580	40.6
121.06484	3.2
121.10147	24.0
123.04436	8.4
123.08065	40.8
123.08957	2.2
123.11700	17.4
125.02357	1.4
125.09644	10.2
127.11166	4.0
131.08560	1.1
133.06467	2.5
133.10130	31.0
134.49765	1.4
135.08081	1.5
135.11693	43.8
135.12723	2.8
136.12045	1.7
137.05957	3.0
137.09613	94.4
137.13237	3.8
138.10455	7.3
139.11174	4.2
147.11684	7.8
149.05981	3.6
149.13264	11.6
150.80582	1.1
151.03929	2.1
151.07504	3.8
151.11142	5.9
151.14803	10.2
155.08557	1.9
163.11157	3.1
163.14825	1.7
165.12753	12.5
165.16383	3.4
167.07033	13.8
175.14818	44.1
178.13589	1.3
179.07028	13.7
181.08589	2.7
193.04973	1.5
193.08565	1.1
193.12129	1.5
193.15889	33.7
211.07607	2.0
211.09525	2.7
211.11331	1.3
211.14923	2.2
211.16916	26.8
215.34651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01869	2.5
55.05511	17.2
57.03440	4.5
57.07076	4.7
58.86510	0.7
59.05011	4.2
65.03941	1.3
65.23251	0.6
67.05505	30.1
69.03426	2.9
69.07069	17.4
71.05000	8.6
71.08619	1.6
71.42437	0.9
71.42796	0.7
78.04705	1.6
79.05499	8.6
81.03430	1.4
81.07055	31.9
83.04974	6.0
83.08620	10.7
85.06541	5.6
91.05478	9.0
93.07044	23.5
94.07375	0.9
95.04973	6.3
95.08607	100.0
96.08953	1.6
97.06525	8.6
97.10184	2.9
99.04463	2.8
99.08079	2.5
101.06029	1.0
103.05464	2.4
105.07029	11.4
106.04173	1.2
107.08587	20.3
108.08881	0.9
109.06521	6.2
109.10156	53.1
110.10448	1.1
111.08081	16.0
113.09644	1.3
115.07562	6.0
119.04972	1.3
119.08583	24.5
121.06499	6.1
121.10152	17.0
122.10487	0.8
123.04440	6.0
123.08068	16.8
123.11708	12.7
124.05220	1.0
125.02365	1.2
125.09659	4.1
125.10445	0.7
127.07532	1.1
127.11253	1.0
133.06480	1.1
133.10136	22.1
135.04446	0.9
135.08084	1.1
135.11696	28.7
136.12047	0.7
137.05984	2.3
137.09615	36.3
137.13203	3.6
138.10390	2.7
139.11200	5.0
141.06978	3.0
141.09108	0.8
147.11684	4.5
149.05981	10.0
149.13258	7.9
150.03181	1.0
151.03935	3.2
151.07565	2.5
151.11177	4.3
151.14784	3.9
153.07018	2.2
153.12755	2.1
155.08556	3.0
163.14836	9.3
165.05487	2.2
165.07011	8.4
165.12827	4.4
165.16357	3.4
166.06258	1.2
167.07037	31.5
168.07410	1.3
169.06429	1.4
175.14827	29.4
179.07028	3.8
181.08585	7.4
181.15927	2.0
183.08073	6.8
193.04971	3.0
193.06528	0.8
193.08664	0.9
193.12256	1.5
193.15892	22.4
200.16689	0.7
211.07565	3.9
211.09608	2.4
211.11427	1.1
211.16949	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.1
54.07577	0.9
55.01859	4.4
55.05509	20.1
57.03438	8.2
57.07066	6.5
59.04995	2.1
65.03925	1.6
67.05506	34.7
69.03421	3.3
69.07060	17.9
71.04979	7.5
71.08615	2.3
71.25222	2.6
79.05496	11.0
81.03410	8.0
81.07058	33.2
83.04988	13.4
83.08618	12.9
83.60164	1.0
85.06552	6.3
91.05482	14.1
93.07045	25.1
95.04951	8.8
95.08609	60.3
97.06532	11.5
97.10168	4.2
98.20789	1.0
99.04452	2.5
99.08104	4.5
103.05415	1.5
105.07018	16.8
107.08591	27.5
109.06519	14.1
109.10155	100.0
111.08081	43.9
113.06000	3.3
119.07720	1.4
119.08581	38.1
121.06479	4.8
121.10139	28.4
123.04403	5.4
123.08065	43.3
123.11698	18.9
125.02307	1.4
125.09622	6.0
127.11202	2.5
131.08539	3.0
133.06435	1.4
133.10138	39.0
135.08005	1.5
135.11685	44.7
137.06027	6.5
137.09616	89.7
137.13165	5.0
138.10451	7.2
139.11147	4.9
141.07019	1.5
145.10110	1.9
147.04398	1.2
147.11673	7.7
149.05991	4.7
149.13243	12.6
151.03906	2.3
151.07579	2.4
151.11166	5.4
151.14815	10.8
155.08527	2.4
163.11201	3.5
165.06944	2.6
165.12755	13.0
165.16420	3.9
167.07050	17.5
169.04987	1.2
169.10165	2.1
175.11453	1.4
175.14821	48.2
176.15057	1.8
178.13461	1.9
179.07060	5.9
181.08586	5.6
181.10095	2.5
183.11693	1.3
193.08560	1.2
193.12221	3.3
193.15898	30.0
193.17700	1.7
194.84543	1.1
196.05208	1.4
211.07538	4.1
211.09373	1.4
211.11223	2.6
211.13200	2.5
211.14873	3.6
211.16925	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.66968	1.2
53.03934	2.3
55.01849	2.4
55.05507	19.3
57.03432	2.7
57.07061	4.8
59.04980	3.0
65.03930	2.7
65.68254	1.2
66.36834	1.1
67.05502	35.3
67.21977	1.2
69.03146	1.3
69.03433	14.3
69.07067	16.2
71.04981	10.5
71.06296	3.2
79.05498	10.4
81.03421	2.8
81.06594	2.4
81.07052	38.0
83.04980	13.0
83.08617	13.1
85.06534	4.9
91.05479	12.4
93.07042	18.7
95.04971	10.5
95.08606	54.0
97.06523	3.8
97.10178	2.7
99.04453	7.4
99.08086	3.9
103.05441	2.9
105.07035	15.7
107.04932	2.6
107.08592	30.2
108.08923	1.3
109.06503	11.8
109.10153	100.0
110.03664	1.7
111.08061	6.4
111.11710	1.3
113.09609	2.5
115.05447	1.5
115.07568	1.6
117.07079	1.2
119.04983	3.4
119.08569	23.7
121.06506	3.9
121.10162	13.8
123.04425	28.5
123.08065	17.2
123.11693	12.6
125.02338	2.2
125.09657	7.4
127.11202	1.6
133.06526	2.6
133.10135	21.6
135.04440	1.5
135.11690	58.8
137.05954	5.8
137.09622	17.0
139.11171	4.5
147.04356	3.1
147.11662	3.2
149.06012	3.5
149.13261	7.0
151.03943	2.3
151.06447	1.8
151.07536	17.3
151.11183	14.5
151.14799	10.6
153.12737	2.3
163.14792	1.8
165.05498	2.0
165.16359	4.0
167.07027	15.7
169.10143	2.2
175.11174	1.5
175.14828	21.8
179.07042	51.3
180.07455	2.2
181.08740	1.5
193.08611	3.9
193.12187	2.6
193.15894	16.1
211.07710	2.7
211.09550	8.2
211.13062	1.8
211.15050	1.5
211.16975	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.53865	0.8
53.03944	5.4
55.01865	7.6
55.05510	45.7
57.03430	9.7
57.07063	2.5
59.04988	2.3
65.03939	3.2
67.05502	33.9
69.03424	13.6
69.07068	14.1
69.31799	0.8
69.34212	5.5
69.34618	1.1
71.05000	6.4
77.03931	1.1
78.04720	2.6
79.05489	38.1
81.03413	100.0
81.07050	44.2
81.07767	1.1
81.39291	0.8
83.04977	50.4
83.08614	32.8
83.09121	0.7
85.02895	2.5
85.06532	4.5
89.28555	0.7
91.05476	41.2
93.07036	30.4
94.04214	0.8
95.04961	36.5
95.08598	19.1
95.09177	1.2
97.02893	4.2
97.06520	5.5
97.10168	9.2
99.04454	2.3
99.08082	2.7
102.90544	0.8
103.05474	8.9
105.03408	1.3
105.04538	1.2
105.07023	33.7
106.04215	1.2
107.04951	8.5
107.08597	10.2
109.02838	1.3
109.06516	11.4
109.10159	6.9
110.03680	1.4
111.04437	3.6
111.08071	11.9
113.06018	1.8
113.26319	0.7
115.05447	2.1
117.07045	1.8
118.04150	1.3
119.04951	4.5
119.08570	22.6
121.02877	0.8
121.06511	15.1
121.10124	8.8
122.03627	1.8
122.55993	0.9
123.04421	23.9
123.08042	7.0
123.11686	3.9
124.05228	2.9
125.02350	3.5
125.06020	1.5
125.09633	5.7
127.07542	2.1
128.06151	0.9
129.06993	12.9
131.04910	0.9
131.08565	13.1
133.02855	1.6
133.06468	9.2
133.10118	12.9
135.04391	1.4
135.08051	1.5
135.11696	2.1
137.05965	8.0
137.09586	4.8
137.13261	1.1
139.11237	1.2
141.07047	0.9
142.07733	3.6
147.04391	3.2
147.08066	3.4
147.11678	15.5
149.05974	22.2
149.09593	7.3
149.13251	1.0
150.06752	2.2
151.03908	5.7
151.07539	9.6
151.11215	2.3
152.04700	1.5
153.05437	1.0
155.07057	1.5
155.08562	1.9
157.10118	15.7
161.05940	3.6
165.05505	5.0
165.06828	1.2
165.09134	2.5
165.12711	4.2
165.16504	1.3
166.06219	3.7
167.07030	73.0
168.07422	1.5
169.10147	2.9
175.09802	0.6
175.11182	17.1
179.07025	32.5
180.07774	2.2
181.08586	16.4
181.09998	1.0
183.04491	1.0
183.08095	1.8
183.11714	1.1
193.05014	2.4
193.08615	7.6
193.12233	32.1
193.15910	2.1
196.25369	0.8
211.05983	2.0
211.07568	3.4
211.09341	8.1
211.11249	2.2
211.13115	12.9
211.14919	2.6
211.16867	1.8
225.16666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03937	7.7
55.01869	9.1
55.05510	47.9
57.03424	8.9
57.07062	2.0
59.05001	2.8
65.03904	2.3
67.05505	35.0
69.03424	12.5
69.07058	12.7
70.54934	4.1
70.55263	2.1
71.04980	5.6
71.08624	2.6
79.05486	29.5
81.03416	100.0
81.07050	42.8
83.04976	50.0
83.08617	34.6
85.02901	2.2
85.06557	3.5
91.05482	37.0
93.07038	21.9
95.04969	41.1
95.08611	19.9
97.02869	2.6
97.06506	6.8
97.10163	8.1
98.16499	1.8
104.07735	1.7
105.07022	27.1
107.04962	6.4
107.08602	10.0
109.06519	6.8
109.10167	6.3
111.08097	9.8
113.06058	2.4
115.05433	2.7
117.07034	1.8
119.04938	3.2
119.08583	23.3
121.06495	3.8
121.10151	10.2
123.04430	3.8
123.08030	3.5
123.11727	2.1
125.02346	8.0
129.06995	13.7
131.08614	11.4
133.06482	5.3
133.10115	14.1
137.05971	2.1
137.09645	3.0
142.07791	3.6
147.08054	3.8
147.11668	18.8
149.05945	2.2
149.09602	8.6
151.03897	4.1
155.08531	4.6
157.10135	15.4
165.12715	3.0
167.07053	3.2
169.10100	4.9
175.11198	16.8
181.10135	2.0
189.98154	2.1
193.12234	39.9
196.12524	2.7
211.11292	3.1
211.13104	16.9
211.14880	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.30855	0.6
53.03950	4.4
55.01871	7.3
55.05509	48.4
55.10992	0.7
57.03161	0.8
57.03434	10.9
57.07071	1.7
59.04987	2.2
65.03931	2.3
67.05502	33.7
69.03427	11.5
69.07065	13.3
71.04978	5.9
71.51260	1.3
73.02889	1.0
73.06566	0.9
79.05491	34.5
81.03414	100.0
81.07051	43.7
83.04975	52.2
83.05712	1.0
83.08613	29.8
85.02890	1.7
85.06554	3.4
85.57259	0.7
91.04903	1.7
91.05476	35.8
93.07041	18.4
93.53384	0.6
95.04964	34.2
95.08602	17.4
97.02869	3.5
97.06528	4.9
97.10149	7.5
99.04458	2.5
99.08129	1.8
103.05477	1.4
105.04493	1.0
105.07027	25.1
107.04956	7.2
107.08600	11.6
109.06512	8.3
109.10155	6.6
111.04472	3.5
111.08083	10.4
113.06056	1.4
115.05455	2.5
117.06989	1.5
119.04947	0.8
119.08577	22.1
121.06482	3.8
121.10140	10.7
122.87132	0.8
123.04457	3.0
123.08061	3.8
123.11720	2.1
125.02358	2.3
125.09653	3.1
127.07542	1.6
128.06287	0.9
129.05469	0.9
129.06990	11.1
131.08545	13.3
133.06487	3.6
133.10117	11.7
134.10568	0.8
135.11707	2.0
137.05972	2.1
137.09641	3.9
137.13249	0.9
139.11203	1.0
142.07809	3.0
145.10118	1.7
147.08049	3.0
147.11678	13.1
149.05995	3.1
149.09615	6.9
151.07576	1.4
151.11217	1.9
155.08559	2.0
157.10124	15.1
158.98454	0.8
165.05524	0.9
165.07008	0.9
165.12750	3.8
165.16367	1.2
167.07080	7.8
167.08463	1.3
169.10184	2.3
175.11179	12.3
175.14798	1.1
179.07108	1.9
181.08629	1.8
181.10091	1.0
183.08069	1.0
193.12233	32.4
193.15897	1.1
193.23703	0.8
194.12666	1.0
196.12630	1.0
211.07582	2.3
211.09471	1.2
211.11325	1.3
211.13147	12.5
211.14899	2.7
211.16489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03761	0.6
53.04001	1.5
55.01929	2.1
55.05273	1.1
55.05568	6.4
57.03493	2.8
57.07126	1.7
59.04738	0.9
59.05058	15.2
65.04008	1.6
67.05173	0.5
67.05503	13.1
68.99844	0.9
69.03429	5.2
69.07067	6.8
69.26376	4.9
70.06625	0.4
71.05054	2.1
71.08689	0.5
77.03978	0.7
78.04760	0.7
79.05492	8.1
81.03479	1.5
81.07055	18.0
83.04977	8.8
83.08611	4.7
85.02945	1.1
85.06604	2.0
91.05477	11.4
93.07039	9.9
95.04967	11.6
95.08602	16.8
97.02935	0.6
97.06503	2.3
97.10230	1.9
99.04510	1.2
99.08100	2.7
103.05473	3.2
105.03453	1.4
105.04594	0.7
105.07031	13.3
106.04195	0.7
107.04977	2.3
107.08589	12.5
108.05801	1.4
109.02933	1.3
109.06517	9.4
109.10153	47.5
110.03724	2.0
111.04507	1.4
111.08088	10.4
111.08778	0.8
113.06056	1.0
113.09658	0.7
117.07136	0.5
118.04218	1.5
119.04939	6.9
119.08572	7.7
121.02863	1.2
121.06490	4.2
121.10155	6.0
123.04425	52.4
123.08060	9.1
123.11699	12.1
123.12590	0.6
124.05301	0.8
125.02380	1.6
125.06004	0.7
125.09624	6.6
127.07587	1.2
127.11218	0.5
128.46742	0.5
131.08553	0.7
133.02902	0.7
133.06476	4.5
133.10130	8.6
135.04506	0.6
135.08075	2.5
135.11700	11.9
136.05209	1.2
137.05956	3.5
137.09616	4.0
137.13264	1.1
139.07623	0.8
139.11134	0.6
147.04387	5.3
147.11699	3.1
149.05983	4.3
149.09602	0.5
149.13298	1.8
150.06784	1.5
151.03943	4.6
151.07541	28.2
151.11171	13.6
151.14796	2.3
152.04688	0.8
152.07961	0.6
153.05453	0.6
153.09091	1.6
153.12730	0.6
155.10661	0.9
157.10213	0.5
161.05948	0.8
161.07114	1.9
161.73824	0.4
164.04733	0.6
165.05508	1.5
165.09151	1.3
165.12700	3.3
165.16440	0.8
166.06229	1.0
167.07037	17.6
168.07582	0.7
169.10129	0.8
169.12230	0.5
175.11191	1.7
175.14824	5.2
179.07027	100.0
180.07515	2.1
181.08604	3.5
193.04927	1.4
193.08611	3.3
193.12219	3.9
193.15915	4.4
211.06013	1.1
211.07755	0.9
211.09653	11.7
211.13234	20.1
211.16704	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03941	1.9
53.52494	0.6
55.01870	2.5
55.05509	15.7
57.03434	100.0
57.07071	3.0
58.01622	0.9
59.05003	1.1
65.03941	2.1
65.49046	0.7
67.05502	16.4
67.05846	1.3
69.03430	5.2
69.07063	11.3
71.04980	5.6
71.50995	1.2
77.03923	0.9
78.04694	1.0
79.05486	12.4
81.03413	24.4
81.03869	1.5
81.07053	20.7
82.73347	0.7
83.04969	12.1
83.08618	11.5
83.54016	0.7
85.02905	1.7
85.06555	2.8
91.05477	18.1
91.06014	1.3
93.07039	13.6
94.04198	0.9
95.04964	13.5
95.08602	24.8
97.02904	2.4
97.06530	4.6
97.10184	2.5
99.04476	2.2
101.06046	1.0
103.05469	4.3
103.08043	0.7
105.07025	12.0
106.04170	1.4
107.04992	1.3
107.08591	8.7
109.02872	1.0
109.06498	5.8
109.10149	12.6
109.15619	0.8
111.04469	1.5
111.08057	5.6
113.06019	0.9
113.09650	1.1
115.05460	1.0
118.04188	1.3
119.04959	2.6
119.08562	8.7
119.09226	0.7
121.06498	6.7
121.10141	6.3
123.04424	13.0
123.08064	4.4
123.11680	4.3
125.02383	2.8
125.06053	1.0
125.09585	4.4
127.11208	0.8
129.07034	3.2
131.08600	2.5
133.02907	3.1
133.06496	4.4
133.10129	6.3
135.04425	1.1
135.08078	1.2
135.11662	5.4
137.05960	4.6
137.09608	3.9
137.13277	0.9
139.11192	1.4
140.04732	2.6
142.07788	2.0
147.04424	1.6
147.08076	1.5
147.11670	6.5
149.05962	9.5
149.09668	3.2
149.13350	2.0
150.06708	0.9
151.03864	3.7
151.06454	1.6
151.07532	7.6
151.11172	1.8
152.60088	0.8
155.07060	2.5
155.08589	2.4
157.10120	4.7
161.02356	1.3
161.05974	1.4
163.14865	2.0
165.05585	1.8
165.06963	1.5
165.09137	1.8
165.12828	1.6
165.16402	0.9
166.06300	1.5
167.07033	31.6
168.05756	0.8
168.07414	0.8
169.10112	4.2
175.11237	4.4
175.14786	3.8
179.03366	0.8
179.07042	20.7
179.08545	1.4
180.07808	1.1
181.06477	1.1
181.07190	1.0
181.08658	5.9
181.10072	1.2
183.08083	1.1
183.11720	1.8
193.05035	3.2
193.08650	3.0
193.10406	1.7
193.12346	9.6
193.15892	4.4
196.08791	1.0
196.12463	1.3
211.07607	3.8
211.09743	10.5
211.11284	2.9
211.13298	3.2
211.14906	5.3
211.17015	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	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02378	0.5
51.81833	0.3
53.03939	2.4
53.65063	0.3
53.86142	0.3
55.01857	1.3
55.05489	0.9
56.96555	2.2
57.03419	1.1
57.07075	0.5
59.04984	0.7
63.63042	0.3
64.05301	0.3
65.03925	0.8
67.05490	1.3
69.03409	1.5
69.07066	0.4
70.06584	0.4
70.75925	0.7
70.76283	0.7
71.04980	0.4
73.02904	1.0
75.29638	0.3
77.03909	0.5
77.97266	0.3
78.04710	3.7
79.05486	2.9
81.03403	1.7
81.07045	1.1
83.04967	0.7
83.08598	0.4
85.02885	1.5
87.54095	0.3
91.05478	12.5
93.07040	9.8
95.04964	6.2
95.08588	0.6
97.02872	1.2
98.97569	2.9
103.05462	10.2
105.03390	0.7
105.04491	0.8
105.07021	4.1
106.04166	2.4
107.04947	1.4
107.08578	0.4
109.02841	1.0
109.06501	1.1
109.10127	0.6
110.01279	0.6
110.97540	0.5
111.04455	0.5
115.05419	0.8
116.98598	1.6
117.06994	0.4
118.04089	0.5
119.01785	0.7
119.04931	1.2
119.08609	0.4
121.06497	18.2
122.03614	0.9
123.04428	9.6
123.05336	0.5
123.08044	0.5
124.05191	3.3
125.02326	0.9
127.03886	0.7
128.98563	1.1
131.04907	0.5
131.06035	0.6
133.02792	0.7
133.06483	3.2
133.10094	0.4
134.03596	0.7
135.04408	0.6
137.05957	4.2
138.03064	0.4
139.03860	0.4
146.99651	0.9
147.04390	0.8
147.08096	0.4
149.05972	31.7
151.03896	4.2
152.04675	2.6
152.07089	0.6
158.99695	0.6
161.01213	0.4
161.02870	0.3
161.05965	4.3
163.97675	0.7
165.05492	2.2
166.02586	0.6
166.04970	0.6
166.06244	6.3
167.07024	100.0
168.04152	0.4
168.07329	1.6
170.99689	0.4
177.00729	0.4
179.03471	0.7
179.07076	0.6
180.07820	1.9
181.08585	28.1
182.03360	0.3
182.09024	0.6
189.00772	0.6
193.04875	0.8
193.08554	1.3
198.80476	0.3
205.98770	0.7
211.06006	1.3
211.09560	3.3
211.13377	0.3
219.01923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03944	3.4
55.01860	3.1
55.05515	6.1
57.03165	1.0
57.03437	16.6
57.07053	1.9
58.78831	0.9
58.86937	0.6
59.05002	1.1
65.03928	0.9
66.04692	0.8
67.05504	8.8
69.03427	4.9
69.07069	6.1
70.57026	0.6
71.04977	3.8
71.51173	1.0
78.04707	3.8
79.05492	8.4
81.03405	2.9
81.07057	11.0
83.04973	3.9
83.08595	3.1
85.06548	9.1
91.05474	19.3
93.07036	19.6
94.04194	1.2
95.04967	12.9
95.08604	12.1
97.06508	3.4
97.10155	1.1
99.04459	1.7
99.08080	2.7
103.04812	1.0
103.05460	11.4
105.03381	1.0
105.04538	1.4
105.07022	13.1
106.04158	2.3
107.04937	2.5
107.08594	9.1
109.02842	0.9
109.06520	8.6
109.10158	15.6
111.04491	0.7
111.08047	3.8
113.05998	5.3
115.05453	1.2
117.06969	0.9
118.04173	1.2
119.04890	2.4
119.08569	6.8
120.03886	0.8
121.06507	16.7
121.10139	12.0
123.04427	13.7
123.08052	2.8
123.11696	4.0
124.05241	1.7
125.02351	2.3
125.09621	8.4
127.11205	7.5
129.07028	0.9
131.08511	1.0
133.02805	1.9
133.06476	6.4
133.10120	7.1
134.03619	1.2
134.07043	0.7
135.04396	1.6
135.08073	1.9
135.11708	4.7
136.05176	0.8
137.05986	5.3
137.09637	4.8
137.13266	1.1
139.11176	1.5
141.06932	0.9
147.04358	1.2
147.11699	5.9
149.05975	32.2
149.13220	1.9
150.03146	1.4
150.06706	2.1
151.03876	5.2
151.07523	2.8
151.11180	3.3
151.14801	1.4
152.04662	1.9
153.09097	0.8
153.12766	0.9
155.08580	1.5
161.06012	4.2
165.05473	3.7
165.06911	1.3
165.09109	1.0
165.12729	2.8
166.06213	6.4
167.07033	100.0
168.07370	2.3
169.10129	0.9
169.12317	0.9
175.11205	2.2
175.14896	4.8
177.80920	0.7
179.07037	6.3
180.07756	2.3
181.08588	28.2
182.09033	0.8
183.07999	1.7
183.11516	0.9
193.04996	3.0
193.08585	6.1
193.10236	0.8
193.12166	4.0
193.15858	6.9
211.05833	3.3
211.07610	1.9
211.09450	5.0
211.11472	1.3
211.13322	2.5
211.16919	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02398	0.9
53.03950	4.2
54.49685	0.6
55.01869	3.4
55.05516	4.2
57.03422	2.4
57.07064	1.7
59.04964	0.7
65.03940	1.9
67.01862	0.8
67.05501	7.8
68.99786	1.1
69.03417	3.0
69.07048	2.4
71.04990	3.3
71.06985	1.8
78.04697	4.2
78.73365	0.7
79.05491	10.4
81.03404	3.0
81.07050	9.1
83.04975	4.3
83.08610	2.6
85.02877	0.9
85.06538	1.8
85.10178	0.6
91.05479	19.8
93.03392	1.0
93.07043	14.3
95.04970	12.4
95.08590	5.8
97.06527	2.4
98.60493	0.6
99.04424	0.9
99.08064	1.4
103.05462	13.4
105.03389	0.9
105.04503	1.2
105.07030	17.7
106.04158	2.3
107.04974	5.1
107.08583	4.1
108.05740	1.7
109.02900	1.1
109.06541	5.3
109.10149	6.5
110.03650	1.0
111.04451	1.3
111.08070	1.9
115.05446	2.0
118.04166	5.2
119.04945	5.7
119.08577	2.5
120.05682	1.5
121.02845	0.8
121.05830	0.6
121.06502	21.7
121.10137	2.2
123.04427	42.8
123.08042	4.6
123.11699	3.3
124.05270	3.6
125.02338	2.7
125.09590	2.5
127.03912	1.2
127.07542	2.1
131.04933	0.8
133.02817	1.3
133.06487	8.8
133.10109	2.9
135.04396	2.1
135.08041	1.5
135.11681	1.8
136.05161	1.2
137.05968	8.1
137.09576	2.6
139.03888	2.9
141.06996	1.8
146.03609	1.5
147.04407	4.0
147.11693	3.0
148.05170	1.1
149.05978	30.3
149.13260	1.0
150.06795	5.7
151.03888	10.4
151.07542	19.2
151.11154	2.3
152.04680	2.4
153.05385	0.7
155.03397	11.3
155.08527	2.6
161.05966	6.4
161.07133	1.0
161.25414	0.8
165.05482	3.1
165.07005	3.7
165.09113	5.4
165.12753	1.4
166.06244	5.9
167.07033	100.0
168.07402	2.2
169.04955	1.6
169.10153	2.1
175.11147	0.9
175.14758	1.9
178.06206	0.8
179.07033	58.0
179.57779	0.8
180.07710	2.6
181.08589	26.9
183.06638	0.9
183.08020	3.4
183.11813	1.0
193.08614	17.9
193.12257	2.3
193.15842	1.0
196.12440	1.3
211.06004	0.8
211.07628	3.4
211.09583	18.2
211.11281	1.1
211.12895	1.0
211.14828	3.6
211.16978	2.1
221.04297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.06
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
51.02360	0.6
52.14800	0.3
53.03944	3.6
55.01860	1.3
55.05503	1.1
57.03431	0.5
57.07079	0.3
61.66787	0.2
63.02387	0.3
65.03921	1.2
66.04719	1.0
67.05502	2.7
68.99789	0.5
69.03425	1.5
69.07070	1.3
71.04990	1.1
71.17213	0.2
71.51240	0.5
77.03925	0.8
78.04703	1.1
78.05109	0.3
79.05487	5.8
81.03410	1.3
81.07050	5.1
83.04974	0.9
83.08627	0.7
84.67251	0.3
85.02881	0.4
85.06539	1.0
90.27959	0.2
91.05479	6.7
92.02609	0.5
93.03401	0.3
93.07034	4.4
94.04179	29.6
95.04963	10.9
95.05575	0.5
95.08588	2.2
96.05241	0.3
97.06520	0.9
98.46400	0.3
99.04448	0.5
99.08080	0.6
103.05456	2.4
105.03378	1.1
105.04497	2.1
105.07020	4.5
106.04157	0.5
107.04942	2.6
107.08598	1.4
108.05694	0.3
109.06508	100.0
109.10144	2.1
110.03607	0.7
110.06847	1.3
111.04438	1.1
111.08060	0.6
115.05392	0.4
118.04161	1.0
119.04942	3.8
119.05853	0.3
119.06138	0.2
119.08587	1.4
120.01986	0.3
121.02851	2.7
121.06503	4.7
121.10136	0.9
122.03656	1.2
123.04420	13.2
123.08034	1.5
123.11684	0.7
124.05188	0.6
125.02336	0.6
125.05978	0.6
125.09628	2.0
127.07576	0.3
133.02867	0.7
133.06467	2.0
133.10123	1.8
135.04408	3.9
135.08032	0.4
135.11674	0.8
136.05199	0.3
137.05968	34.7
137.09578	0.9
138.06293	0.4
147.04439	1.4
147.11659	1.5
148.01559	1.3
149.02290	0.5
149.05971	6.3
150.03111	19.8
150.06735	0.5
151.03905	2.1
151.07529	7.1
151.11200	0.7
152.04683	0.6
153.06953	0.3
155.07162	0.3
155.08537	0.3
161.05963	1.0
161.07143	0.4
163.03828	0.4
164.04639	1.1
165.05470	17.3
165.09138	0.9
165.12735	0.9
166.06233	1.3
167.07025	20.9
167.13298	0.3
168.04179	0.4
175.11163	0.8
175.14841	0.7
178.02470	0.4
179.07019	23.0
180.07735	0.8
181.05017	0.6
181.08586	4.9
183.06560	0.3
193.04956	13.3
193.08621	1.8
193.12245	0.7
193.15820	0.5
198.96941	0.3
211.05994	31.9
211.09619	4.0
211.13135	0.4
211.17024	0.4
212.06430	0.7
226.91629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01857	4.3
55.05500	6.1
57.07071	3.4
59.04996	1.9
61.10803	1.6
67.05503	8.9
69.03429	11.1
69.07066	14.1
69.23540	4.9
69.23956	10.0
71.05002	8.5
77.25180	1.3
79.05482	6.2
81.07062	14.3
83.04995	13.5
83.08604	3.9
91.05457	12.0
93.03427	2.9
93.07035	12.7
95.04967	6.4
95.08608	29.4
97.06534	9.1
98.20805	2.9
99.08087	4.3
103.05463	2.1
105.07002	8.7
106.04160	6.5
107.04947	1.7
107.07887	2.4
107.08585	35.7
109.06512	23.2
109.10157	16.2
111.08061	5.7
119.08582	5.1
121.06493	9.4
121.09332	2.7
121.10142	34.0
123.08095	8.5
123.11692	5.0
125.06005	2.0
125.09600	10.5
131.08571	5.2
133.10136	16.6
135.08041	13.3
135.11696	8.0
137.09576	4.6
139.07518	1.7
139.11194	5.8
145.10112	3.0
147.11676	9.6
149.06000	8.4
149.09613	10.7
149.13252	17.1
151.11182	100.0
153.09071	4.1
158.10939	3.0
163.14832	8.2
165.12746	9.7
173.13257	16.8
177.05609	2.5
190.01311	1.5
191.07089	1.8
191.14301	47.5
209.04552	1.7
209.15369	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	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03929	1.7
55.01869	1.1
55.05492	1.6
57.03401	0.5
57.07062	1.9
59.04985	1.1
67.05498	3.6
69.03045	0.6
69.03424	12.1
69.07059	3.7
69.33163	2.7
69.33571	1.3
71.04979	1.5
71.07564	0.4
79.05490	2.6
81.03412	11.3
81.07050	7.4
83.04961	2.9
83.08615	1.0
91.05463	2.7
93.07034	4.4
95.04966	6.3
95.08595	11.0
97.06501	0.8
99.08076	1.3
99.28951	0.4
103.05455	0.6
105.07024	4.8
106.04154	1.4
107.04983	0.6
107.08582	9.7
109.06505	11.5
109.10157	1.6
111.08061	0.5
115.05482	0.4
119.08576	5.7
121.06509	2.1
121.10133	13.5
122.07334	0.5
123.08061	11.4
123.11694	7.5
125.09580	0.5
131.08556	0.8
133.10147	0.8
135.08022	1.1
135.11690	1.0
137.09578	2.3
137.13242	2.3
145.10109	0.9
147.11658	3.2
149.05936	1.3
149.09605	10.6
149.13260	7.0
151.11165	5.6
153.05513	0.5
153.09056	0.6
163.14793	1.0
165.12737	100.0
166.13078	1.4
173.13290	1.2
174.34438	0.4
177.05493	0.7
191.14291	2.5
209.15350	34.1
210.15755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.73422	1.4
53.03931	3.8
55.01858	11.1
55.05280	2.0
55.05511	29.3
57.03429	3.5
57.07059	6.4
59.04984	7.3
60.72593	1.5
65.03920	4.9
67.05505	12.4
69.03412	8.1
69.07063	18.5
69.45670	6.8
69.46075	4.8
71.04993	7.4
73.06548	1.7
75.04458	3.4
78.04706	4.4
79.05486	24.1
81.06596	3.2
81.07051	45.0
83.00842	2.4
83.01336	45.8
83.04984	21.3
83.08613	11.5
84.05313	1.7
85.02914	3.6
85.06509	5.0
89.03880	3.0
91.05481	28.9
92.05811	1.7
93.03391	6.5
93.07048	28.1
95.04960	10.0
95.08607	18.8
97.06524	31.4
97.10159	2.8
99.04436	5.6
99.08093	22.9
101.06000	5.4
103.05445	6.5
105.07024	13.8
106.04174	18.1
107.04950	3.7
107.08586	100.0
109.06508	18.8
109.10147	19.1
111.08081	19.4
113.05980	4.3
115.07543	3.8
117.03362	2.8
117.06979	3.3
119.04912	2.6
119.06092	2.3
119.08561	10.2
121.06486	22.8
121.10139	37.2
123.04402	4.0
123.08068	8.9
123.11684	5.7
125.05971	7.0
125.08763	2.9
125.09623	30.1
127.07511	2.7
131.04900	2.5
131.08583	7.6
133.10121	32.3
134.03609	4.4
135.08040	18.2
135.11671	16.9
137.05971	4.5
137.09613	18.8
139.06488	1.0
139.07538	31.3
139.11171	12.8
142.89001	1.7
143.08482	1.7
145.02791	2.3
145.10110	2.8
147.04384	2.3
147.11691	9.3
148.05176	2.6
149.04927	3.0
149.05971	23.7
149.09605	16.4
149.13254	18.4
151.11169	23.7
153.09114	23.8
154.09836	2.6
158.10942	2.2
162.10515	1.7
163.07631	1.6
163.14801	14.1
165.05576	1.7
165.12770	6.0
167.06970	3.8
167.10648	4.3
167.14223	1.7
173.13263	13.7
177.05592	9.3
181.05006	2.0
181.08607	2.7
181.15884	9.7
191.10582	2.1
191.14299	46.3
196.68237	1.7
209.08038	4.8
209.15359	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	3.2
55.01870	6.2
55.05513	12.3
57.03437	2.4
57.07064	2.9
59.05006	5.7
65.03931	2.4
65.79000	1.1
67.05505	9.7
69.03430	7.2
69.07065	12.5
69.30075	12.2
70.02519	1.1
71.04999	3.1
73.06524	1.2
75.04467	1.5
75.36123	1.3
78.04747	1.5
78.83237	1.2
79.05495	22.2
81.07053	41.0
81.93922	1.1
83.01340	16.4
83.04985	9.7
83.08627	5.7
84.22361	1.4
85.02903	1.7
85.06541	2.7
91.05476	17.7
93.03411	3.1
93.07045	18.2
93.21160	1.3
95.04967	6.8
95.08595	13.3
97.06529	14.8
97.10168	2.4
99.04446	2.1
99.08109	9.3
101.05984	1.6
103.05473	4.4
105.07033	13.4
106.04179	11.8
107.04943	3.2
107.08590	100.0
108.08895	1.6
109.06512	15.4
109.10151	15.0
111.08090	8.7
113.06026	1.9
115.07576	2.8
117.06982	3.4
119.08582	4.7
119.34446	1.3
121.06504	13.3
121.10129	33.4
122.07278	2.6
123.08069	5.6
123.11700	3.5
124.35977	1.1
125.05993	3.1
125.09623	14.1
131.04941	1.8
131.08546	3.7
133.10124	38.2
134.03618	2.1
135.08044	12.3
135.11691	12.9
137.09613	24.1
139.07536	10.9
139.11136	4.7
145.10139	2.4
147.11679	3.9
149.05992	11.8
149.09598	8.4
149.13246	14.0
151.11168	15.7
153.09091	11.8
154.09830	2.2
155.10634	1.5
163.07535	1.8
163.14816	14.2
165.12756	4.3
167.06999	4.2
167.14296	1.4
173.13242	9.0
177.05602	6.5
181.08606	2.8
181.15875	4.0
191.06987	2.2
191.14293	33.4
194.02155	1.4
209.08032	4.6
209.15369	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01860	2.1
55.05510	20.6
57.03434	3.7
57.07059	9.3
59.04979	8.0
59.50697	2.1
67.05179	2.9
67.05498	26.6
69.03426	25.9
69.07059	33.2
69.90122	11.7
71.04972	8.3
77.00776	1.9
79.05476	16.0
81.03414	9.6
81.06606	2.2
81.07052	28.9
83.04984	37.8
83.08601	11.3
85.06516	8.0
91.05463	17.3
93.07042	38.9
94.75614	1.8
95.04346	2.8
95.04945	18.0
95.08598	51.8
97.06532	12.5
97.10134	5.3
99.08074	8.1
99.35815	2.1
105.07011	19.7
107.08588	81.5
109.06517	35.7
109.10152	36.6
111.08070	20.0
113.06004	14.5
113.09642	2.5
119.08567	15.3
121.06498	7.6
121.10143	59.9
123.08060	20.6
123.11719	13.1
125.05988	2.3
125.09619	25.0
127.07543	3.6
131.08557	7.3
133.10126	33.8
135.08057	17.4
135.11687	51.9
137.09579	6.8
137.13217	2.4
139.07515	6.7
139.11156	7.3
140.08325	4.5
145.10123	5.4
147.11674	10.9
149.09621	19.7
149.13251	48.9
151.11171	90.7
153.09102	27.0
154.09784	2.3
158.10902	4.8
163.11153	3.3
163.14824	23.4
165.12744	100.0
167.10652	4.4
173.13264	22.2
191.14297	62.3
191.80434	2.0
209.15359	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	2.8
55.01856	3.4
55.05508	10.5
57.03440	5.6
57.07049	4.2
59.04983	3.1
65.03931	2.1
67.05503	11.0
69.03429	15.4
69.07072	10.0
69.60019	3.6
69.60450	4.0
71.04996	7.0
77.22911	1.2
77.62779	1.1
79.05486	9.8
81.03423	10.9
81.07049	19.6
83.04976	16.3
83.08590	5.0
85.02946	1.0
85.06532	2.9
91.05455	11.2
93.03392	1.5
93.07040	17.5
95.04962	56.6
95.08606	19.1
97.06535	10.3
99.04455	10.7
99.08077	2.4
100.04313	1.1
103.05458	2.4
105.07029	11.0
106.04159	5.0
107.04990	2.2
107.08585	25.6
109.06508	43.5
109.10147	15.1
111.08080	9.0
117.06975	1.8
119.04925	1.5
119.08575	8.5
121.06480	9.1
121.10137	24.3
123.07202	2.4
123.08054	26.0
123.11677	9.5
125.06002	2.7
125.09573	5.4
127.07587	2.6
131.04930	1.9
131.08524	3.3
133.10121	12.9
134.03555	1.2
135.08060	9.1
135.11667	4.8
136.08836	1.2
137.09592	4.7
137.13246	3.6
139.07495	2.1
139.11226	1.9
144.09259	1.3
145.10083	4.4
147.11717	7.0
148.05086	1.4
149.05998	6.7
149.09618	14.0
149.12207	1.5
149.13261	15.5
151.11171	14.1
153.09100	30.4
153.10349	1.5
154.09869	2.0
163.11255	2.2
163.14787	3.3
165.12746	100.0
166.13127	1.2
167.07097	3.3
167.14291	3.3
173.13245	8.3
176.04677	1.2
176.75616	1.2
177.05565	5.4
191.06944	1.5
191.14301	27.1
209.08037	5.8
209.15355	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.3
55.01867	8.8
55.05242	2.0
55.05508	38.3
57.03424	4.7
57.07062	7.4
59.04982	3.3
59.50441	2.0
67.05494	15.9
69.03421	18.9
69.07056	20.5
69.94122	10.0
71.04974	7.6
71.08640	1.8
79.05492	18.9
79.55404	2.0
81.07046	21.5
82.48672	2.2
83.01335	37.8
83.04975	26.7
83.08608	14.0
85.06519	7.7
89.42836	2.5
91.05468	20.2
93.03387	3.8
93.07034	24.5
95.04966	10.0
95.08598	15.9
97.06525	23.1
97.10153	14.2
99.04452	5.6
99.08090	28.8
101.05997	4.9
105.07021	13.0
105.34814	2.0
106.04150	6.5
107.04943	4.0
107.08582	47.3
109.06522	18.1
109.10139	16.5
111.04403	3.8
111.08089	18.6
113.06001	6.0
117.03445	2.2
119.08559	5.9
121.05686	2.0
121.06514	12.2
121.10152	33.4
123.08047	10.0
123.11693	7.7
125.05952	6.5
125.09620	78.8
125.93981	2.0
127.07515	3.6
129.06956	2.1
131.08566	8.9
133.10112	17.3
135.08063	16.6
135.11679	7.3
137.05927	2.2
137.09639	11.2
139.07556	21.7
139.11208	12.3
145.10101	3.8
147.04411	2.8
147.11681	5.3
149.05988	7.4
149.09613	51.9
149.13257	13.9
151.11171	35.9
153.05406	2.3
153.09109	25.6
154.09785	3.3
158.10901	2.5
163.07462	2.3
163.14767	11.5
165.12724	5.1
167.10687	3.1
173.13214	14.1
177.05515	6.1
181.08659	3.0
181.15816	12.4
191.14302	42.0
209.04616	3.0
209.08170	4.3
209.15361	100.0
226.74078	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.8
55.01855	3.5
55.05507	9.7
57.03427	1.7
57.07061	3.6
59.04986	4.1
60.14697	1.2
65.03918	1.7
67.05502	12.1
69.03427	10.2
69.07072	20.3
71.05028	7.6
77.03954	1.3
77.86528	1.1
79.05499	8.5
81.03413	1.4
81.07052	14.8
83.01322	3.3
83.04982	19.2
83.08611	5.8
85.02900	1.4
85.06524	3.3
91.05467	11.0
93.07041	18.9
95.04955	5.7
95.08611	40.1
97.06528	16.1
99.04420	2.3
99.08081	4.0
105.07047	8.7
106.04162	2.9
107.04951	2.6
107.08596	46.7
109.02898	1.3
109.06529	15.4
109.10154	24.6
111.08069	9.1
113.05987	1.8
113.09618	2.4
113.86964	1.0
117.06982	2.1
119.08565	4.8
121.06508	11.1
121.10146	33.9
123.08073	8.2
123.11720	5.7
125.05963	1.7
125.09644	12.7
127.07455	1.3
131.08551	8.2
133.10133	37.3
135.07126	1.4
135.08057	14.4
135.11678	21.6
137.09599	4.1
139.07564	5.1
139.11185	7.7
140.08376	1.6
143.08508	1.3
145.10123	4.2
147.11684	14.1
148.05200	1.1
149.05983	6.3
149.09621	11.5
149.13255	26.4
151.11179	100.0
153.09097	9.6
158.10873	4.2
163.11142	1.5
163.14816	14.5
165.12738	3.8
167.07033	2.3
167.10670	4.3
167.14229	2.1
173.13257	23.6
176.04614	1.3
177.05444	4.5
191.14310	70.7
192.05966	1.0
192.14587	1.4
209.04521	2.4
209.08028	3.8
209.15361	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03919	0.9
55.01860	3.5
55.05510	41.3
57.03427	1.5
57.07061	1.6
59.04990	3.0
65.03916	2.1
66.06817	1.0
67.05506	7.2
69.03416	3.3
69.07063	8.5
69.69910	0.9
69.85443	6.2
71.04975	4.4
72.01700	0.9
79.05488	9.9
81.07053	10.4
83.04977	46.5
83.08617	22.5
85.06539	2.6
91.05476	10.3
91.21973	0.8
93.03421	1.9
93.07041	31.7
95.04964	43.0
95.08598	8.8
97.06536	5.4
97.10150	4.3
98.20774	1.9
99.04456	8.2
103.05454	1.9
103.51384	1.0
105.07033	6.5
106.04153	4.8
106.46050	1.1
107.04928	2.4
107.07891	1.9
107.08591	34.0
107.09314	1.8
109.02848	2.9
109.06516	7.9
109.10155	12.2
111.04412	1.2
111.08085	5.8
119.04940	1.2
119.08572	3.8
121.05679	1.1
121.06489	5.4
121.10140	100.0
123.08068	4.8
123.11697	6.4
125.05954	1.1
125.09621	8.5
131.08563	2.0
133.10143	6.4
134.06012	1.8
135.04451	1.2
135.08037	2.2
135.11676	4.8
137.09579	1.7
138.06754	1.4
139.11186	1.3
145.10132	1.5
146.05988	1.3
149.05997	7.6
149.09608	1.9
149.13194	4.7
151.09969	1.9
151.11169	24.0
153.01791	1.5
153.09116	11.5
162.05479	4.8
163.03873	2.0
163.14807	17.1
165.12773	1.1
167.06964	2.0
167.14316	31.5
169.82620	1.0
173.13203	3.6
177.05525	5.6
179.03427	1.1
181.04970	4.1
191.06911	1.5
191.14281	9.6
194.02092	1.6
209.04428	3.0
209.08047	2.9
209.11911	1.0
209.15378	25.0
215.86523	1.1
223.03783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02384	1.9
53.03947	7.5
55.01873	19.2
55.05512	41.4
57.03423	4.1
57.07064	2.3
59.04986	3.0
60.04530	2.4
61.53739	1.0
65.03939	11.4
66.04693	1.0
67.05512	10.9
68.02602	1.0
69.03431	5.9
69.07068	10.5
71.04997	6.9
75.04478	7.3
76.55097	1.0
77.03930	1.7
78.04703	7.7
79.05068	2.0
79.05492	18.4
81.03390	2.8
81.07056	11.8
83.04980	61.5
83.08615	22.2
85.02905	7.8
85.06532	2.7
89.03900	6.4
89.97997	1.0
91.05482	43.4
93.03403	18.4
93.07044	43.2
93.45582	1.1
95.04964	63.8
95.08588	7.8
96.05764	1.7
97.02924	1.8
97.06530	12.9
97.07576	1.1
97.10179	4.3
98.97603	1.2
99.04446	8.6
103.05469	19.4
105.03432	3.0
105.04533	3.0
105.07034	11.3
106.04171	55.7
106.06531	1.6
107.04960	15.5
107.08594	33.3
108.05745	2.2
109.02880	14.1
109.06510	15.9
109.10157	14.3
111.04441	3.7
111.08079	7.8
113.09662	1.1
117.03356	7.2
117.07007	1.4
119.04929	7.0
119.05701	1.0
119.08582	4.3
120.05735	1.4
121.02856	1.0
121.06508	58.8
121.10139	100.0
123.04452	6.2
123.08060	6.5
123.11690	9.6
124.05219	3.1
125.05984	14.9
125.09633	8.2
125.26556	1.0
131.04922	11.0
131.08585	4.1
133.02887	2.8
133.10130	6.1
134.03618	12.1
134.05995	6.5
135.04414	11.7
135.08058	4.5
135.11700	5.5
137.05957	7.1
137.09573	1.5
138.06781	8.5
139.03929	4.0
139.07545	4.4
141.05484	1.2
145.02879	5.3
145.10150	2.0
147.04404	3.1
148.05197	9.7
149.02281	2.9
149.05980	73.9
149.09644	3.5
149.13260	6.3
151.03891	2.2
151.07578	3.1
151.11177	21.8
153.01834	21.4
153.05461	10.2
153.09100	23.5
153.10333	1.2
153.66968	1.1
159.04366	5.6
162.03183	1.2
162.05487	10.6
163.03908	26.9
163.07550	6.1
163.11186	1.7
163.14825	18.5
165.05489	3.2
166.06281	2.6
167.07068	5.3
167.14317	40.7
173.13287	5.3
176.04689	2.4
177.05476	44.1
180.07813	1.5
181.04964	29.1
181.06560	2.0
181.08568	12.0
181.14224	1.1
191.03355	5.3
191.06972	6.4
191.10721	1.4
191.14307	11.8
192.06770	1.3
194.02127	1.1
194.05768	4.9
204.05827	1.1
209.04495	15.8
209.08049	26.9
209.11691	1.5
209.15367	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
53.99666	1.2
55.01870	15.4
55.05510	3.1
55.31617	1.2
55.94608	2.5
56.96568	12.1
57.03190	1.2
57.03424	7.8
57.07053	1.5
58.50436	1.3
58.99857	4.2
59.04979	1.6
59.69693	1.2
59.99920	1.4
60.04526	3.3
60.95849	3.3
61.02932	6.3
65.03931	3.9
67.05512	6.7
67.92502	1.9
68.98312	1.6
68.99780	1.5
69.03429	14.9
69.07064	3.5
69.63233	7.8
70.06573	3.2
71.04997	3.1
71.94096	2.2
72.04482	1.3
72.93792	1.4
73.02916	14.5
73.71037	1.2
74.01081	1.3
77.00914	4.8
79.05505	4.0
81.03415	19.3
81.07047	3.8
82.01423	2.8
82.05334	1.3
82.94839	3.0
83.01305	1.8
83.04973	5.3
83.08619	2.3
84.96022	3.1
85.02893	13.6
85.06541	2.3
86.03226	1.3
89.03918	2.1
91.05463	8.2
93.03403	2.1
93.07031	6.7
94.06583	1.7
95.01339	1.8
95.01942	2.3
95.04951	6.6
95.08592	3.1
97.02874	8.1
97.06533	3.3
98.21500	2.5
98.97573	4.6
100.02479	27.1
101.00867	8.1
102.02330	2.9
102.96909	2.7
103.02391	4.3
103.05462	7.7
105.00348	2.9
105.07002	3.2
106.04152	2.4
107.04955	4.4
107.08599	4.3
108.08082	1.3
109.02870	27.1
109.06506	4.4
110.01292	2.6
110.06023	4.7
110.07204	2.1
111.04467	3.8
111.08075	2.0
112.96707	2.7
113.00855	3.6
113.02351	3.2
114.04049	7.4
115.02433	6.9
115.03960	1.4
116.98618	4.5
117.02150	3.0
117.03405	2.7
118.01148	2.1
118.03497	21.3
118.04216	1.8
118.06517	2.2
119.01077	1.9
119.01917	36.1
119.04925	2.1
120.01989	8.0
120.03423	2.1
121.01589	5.8
121.06502	8.3
121.10130	5.6
122.06028	4.1
123.06645	3.7
123.11716	2.2
123.97433	4.3
125.09633	2.1
126.93769	2.3
127.02409	1.6
127.03918	3.0
128.98578	2.4
129.03987	3.8
131.01889	25.6
131.04875	6.4
131.08534	2.0
132.01999	11.9
132.05090	7.1
133.01663	4.4
133.03474	8.3
133.10054	2.1
134.03603	5.0
134.05995	5.0
135.03204	4.0
135.04419	4.1
135.08060	3.9
135.11703	2.2
136.07600	3.1
137.02960	7.7
138.03142	2.7
139.02435	4.2
141.03926	3.2
141.05005	2.2
143.01833	3.1
143.03578	1.9
144.04459	2.2
144.94850	1.6
144.98070	3.3
144.99817	9.8
145.01726	2.3
145.03589	9.2
146.03612	5.0
146.05983	9.1
146.99684	3.0
147.01372	3.2
147.03163	2.1
147.05055	1.9
148.03923	4.1
148.05183	3.9
149.02986	8.9
149.05968	14.9
149.09503	1.7
149.13261	2.8
150.03088	3.9
150.05478	2.1
151.11189	4.3
152.07082	6.2
153.05579	2.1
153.09026	3.1
154.03578	1.6
155.01851	6.7
157.03465	23.1
158.03563	11.1
159.01382	2.5
159.03171	1.8
159.05040	4.4
160.05115	1.8
161.02950	10.5
162.03317	3.3
162.05498	100.0
162.97025	1.7
162.99176	7.9
163.00873	5.2
163.02708	12.1
163.04030	4.1
163.07466	1.8
163.08716	3.2
164.04617	2.4
164.07024	10.7
165.12723	2.1
167.01949	10.2
167.03117	1.9
167.06961	2.9
167.96347	3.2
168.01488	5.1
168.05011	2.8
169.03481	5.8
171.05026	3.9
172.99390	4.8
173.02985	17.2
174.03096	1.9
174.05542	6.1
175.04556	6.7
176.04692	3.8
177.00748	1.8
177.02412	1.5
177.04134	1.4
177.05507	21.3
181.00229	3.1
181.01933	2.8
181.03532	7.2
181.05061	5.3
181.09834	1.5
185.02951	54.2
185.04623	3.1
185.97377	7.0
186.03023	27.4
186.04346	3.6
186.06192	4.7
187.01093	2.0
187.02760	6.5
187.04536	7.1
191.00470	7.2
191.02011	2.5
191.03963	4.9
191.06859	3.6
191.08229	4.8
191.14313	3.7
192.06615	14.1
192.10214	2.5
196.00888	9.5
196.04605	2.9
197.02982	2.8
198.03923	1.5
199.04485	8.6
203.03981	19.7
203.98273	4.6
204.04143	12.5
204.07207	3.2
205.00153	2.3
205.02005	2.8
205.03796	2.7
205.05585	1.7
208.04539	4.5
209.02933	9.9
209.04633	10.1
209.08057	8.1
209.09618	2.3
209.13417	1.5
209.15379	8.9
210.07642	3.0
214.01971	4.7
221.05150	3.4
222.05815	1.8
227.02528	1.3
227.04076	12.9
227.05986	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	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03942	1.2
55.05509	5.8
57.07071	2.1
61.24616	0.7
65.03926	1.2
67.05505	8.0
69.03407	1.1
69.07060	13.3
71.04948	0.6
79.05496	5.2
80.71625	0.6
81.06594	1.3
81.07050	16.3
83.04978	12.8
83.08593	1.9
86.19462	0.6
91.05476	13.2
93.07037	13.7
95.04961	2.4
95.08599	20.0
97.06517	3.2
97.10103	1.2
98.20705	1.0
105.07024	16.0
107.08590	12.8
109.06493	4.4
109.10151	6.7
111.08066	1.2
119.04931	4.3
119.08574	14.7
121.06548	0.7
121.10136	6.3
123.08056	100.0
123.11673	4.0
124.08422	1.2
131.08592	1.0
133.09132	0.9
133.10123	18.7
135.11690	4.9
137.09587	2.4
137.13246	4.2
139.11447	0.7
145.10094	1.4
146.03612	0.7
147.04420	4.2
147.11696	13.6
149.02376	1.0
149.09616	1.2
149.13257	9.0
151.07489	0.7
151.11157	7.4
160.12384	0.6
161.09636	0.9
161.13229	4.3
162.05534	0.8
163.14803	2.3
164.04674	0.7
165.12698	2.6
171.11682	1.0
175.03885	4.5
179.07056	0.9
189.12593	1.0
189.16368	21.1
190.04965	1.4
192.04128	1.3
207.06497	4.4
207.13795	2.6
207.17429	41.3
223.59622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.26738	6.3
53.03928	5.2
55.05495	12.9
56.05030	9.8
57.03415	7.3
57.07075	5.5
58.32287	5.2
59.06116	6.5
67.05495	13.9
68.05000	5.6
69.03419	6.0
69.07053	11.5
70.06611	9.3
70.85497	13.7
71.04981	6.0
74.63226	5.0
77.48093	5.6
79.05487	19.3
81.07061	40.7
83.06109	8.6
85.02872	5.3
85.06510	6.8
91.05486	47.1
93.07037	49.5
94.06565	6.1
95.06069	6.0
95.08608	59.0
97.07625	11.6
98.07222	6.1
105.07032	49.3
107.08588	79.0
109.06461	9.1
109.07645	5.6
109.10138	18.8
111.08045	10.8
111.09184	10.1
112.08701	13.1
115.96416	22.6
119.04922	17.6
119.08573	68.1
119.66323	5.5
121.07616	8.0
121.10139	28.7
122.07199	6.7
123.08049	21.1
123.09203	10.6
123.11720	17.1
124.08688	7.2
133.10115	50.9
133.88692	6.1
133.97467	21.9
135.11696	100.0
136.08716	7.5
137.09595	13.0
145.10110	7.4
146.03644	5.6
147.04408	17.2
147.11674	49.3
148.08665	14.8
149.09610	10.3
149.13249	15.8
150.10271	6.7
151.11160	15.4
161.13239	13.9
163.14804	16.0
164.11830	8.3
165.11293	7.8
175.03850	15.2
189.12807	5.3
189.16341	90.2
190.04915	11.3
190.11746	6.6
207.06480	19.7
207.13782	22.4
207.15788	8.7
207.17453	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	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.54645	1.2
53.03936	2.5
55.05508	9.2
57.03421	3.6
57.07062	5.3
65.03927	2.1
67.05238	1.1
67.05507	11.5
69.03417	3.7
69.07068	10.4
69.18194	15.9
71.04961	1.9
73.12907	1.5
74.54527	1.3
79.05493	13.0
81.07050	22.6
83.04989	2.4
83.08620	3.0
85.06547	8.1
87.13774	1.4
91.05474	30.7
93.07035	35.3
95.04943	4.3
95.08602	34.7
96.37470	1.3
97.06533	1.8
97.10191	1.7
98.21508	2.9
103.05465	2.5
105.07027	35.1
107.08586	70.8
109.06523	6.8
109.10157	16.0
111.08105	2.7
115.96392	1.4
117.07017	2.3
118.04102	1.3
119.04950	14.1
119.08576	48.9
121.10102	13.4
122.03653	1.4
123.08061	11.2
123.11706	10.9
127.07581	2.0
131.08557	3.2
133.06483	1.4
133.10124	46.9
133.93269	1.4
135.11684	100.0
137.09592	11.7
145.10106	4.0
146.03610	1.8
147.04387	16.7
147.11682	33.5
148.12039	1.4
149.02356	1.4
149.09579	4.9
149.13251	13.3
151.07523	3.5
151.11151	16.9
159.11630	1.9
161.09636	1.6
161.13235	10.7
163.14818	15.4
164.04691	2.3
165.12749	3.4
171.11690	1.6
175.03935	10.9
179.06978	2.1
189.12766	2.7
189.16370	80.6
192.04102	3.5
193.04976	2.1
207.06490	17.0
207.09888	2.2
207.13931	9.7
207.17430	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	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03922	1.8
55.05506	13.2
57.03420	4.5
57.07056	7.4
64.99091	1.8
65.03926	4.5
67.05502	22.2
69.03422	4.4
69.07066	19.4
69.80899	1.4
71.04968	3.8
71.08616	2.2
71.51077	3.0
71.51419	2.0
77.06410	1.6
79.05492	16.1
81.03390	1.8
81.07053	33.8
83.04977	11.8
83.08601	6.9
85.02889	2.7
85.06516	5.5
85.16129	1.8
91.05476	48.1
93.07043	46.8
93.07634	2.5
95.04946	7.8
95.08599	50.3
97.06504	4.9
97.10178	4.4
99.08064	2.1
103.05426	2.4
105.06328	2.1
105.07030	48.4
107.08590	73.8
109.06545	12.8
109.10156	25.5
111.08064	6.3
117.06989	2.8
119.04939	21.9
119.08574	59.0
120.08904	1.9
121.02872	1.9
121.06522	3.9
121.10132	21.8
123.08066	45.4
123.11707	13.4
127.07581	1.8
131.04912	4.1
131.08551	5.4
133.06522	2.0
133.10130	54.3
133.97502	2.1
135.11690	96.5
136.05240	2.9
137.05939	2.1
137.09596	15.7
137.13255	2.9
143.08525	2.6
145.10136	6.0
146.55638	1.7
147.04404	27.7
147.08058	3.3
147.11681	49.0
147.12827	2.9
149.02345	4.8
149.09612	7.4
149.13264	16.1
151.07538	6.4
151.11166	20.1
161.05959	3.3
161.09694	1.9
161.13245	12.7
163.03824	3.1
163.07527	2.7
163.11188	3.6
163.14806	12.6
164.04695	5.5
165.05444	2.4
165.12776	5.8
171.11728	2.5
174.03130	2.1
175.03896	25.2
179.06992	6.9
179.08488	2.5
189.09064	1.7
189.12727	7.5
189.16382	100.0
190.05046	3.1
192.04155	12.7
192.09445	2.3
193.04939	3.4
207.02884	2.8
207.06520	48.0
207.08444	2.9
207.10068	4.6
207.11913	4.1
207.13802	15.4
207.17439	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	207.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05504	6.3
57.03396	1.2
57.07061	2.3
63.61346	0.7
64.15107	0.7
67.05498	10.5
69.03419	1.7
69.06738	1.2
69.07069	15.0
69.68855	3.0
69.69283	2.2
71.04981	1.1
71.08605	1.5
76.21413	0.7
79.05483	5.5
80.12669	0.7
81.03424	0.8
81.07049	18.9
83.04980	27.1
83.08580	2.4
85.06529	1.2
91.05474	16.1
93.07035	14.3
95.04961	3.4
95.07991	1.2
95.08601	24.0
97.06511	5.2
97.10153	1.8
98.21525	1.2
103.05481	1.3
105.07030	15.8
107.08591	18.3
109.06524	7.0
109.10159	7.3
110.47900	0.7
110.91142	0.9
111.08073	1.1
111.11709	1.2
117.07031	0.8
119.04940	6.4
119.08570	14.1
121.06516	1.1
121.10128	8.2
123.08063	100.0
123.11682	4.7
125.09588	1.1
131.08589	1.5
133.10133	22.7
135.11681	10.9
137.05968	1.1
137.09599	3.7
137.13271	5.6
144.86969	0.9
145.10028	0.9
147.04396	5.4
147.08131	0.9
147.11678	15.5
149.02286	1.4
149.09641	1.3
149.13264	5.1
151.07506	1.4
151.11177	9.8
161.13257	5.4
163.03944	1.2
163.11128	1.2
163.14821	2.4
164.04750	0.9
165.12764	2.9
171.11578	0.9
175.03873	5.0
179.07040	1.2
189.12692	1.1
189.16377	21.3
190.16690	1.2
192.04205	1.7
207.06471	5.7
207.13887	2.6
207.17433	68.4
208.17622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.62228	0.8
55.01858	1.1
55.05511	6.6
57.07084	1.4
60.49289	0.7
65.03928	0.9
66.17033	0.7
67.05503	9.0
69.03427	1.9
69.07065	13.6
69.58382	5.6
71.04971	1.3
74.99355	0.9
79.05476	5.0
81.06594	1.3
81.07055	18.6
83.04978	24.3
83.08607	3.0
85.06527	1.0
90.95834	0.8
91.05471	11.9
93.06493	1.0
93.07047	12.8
95.04941	2.6
95.08607	24.0
97.06517	4.4
97.10142	1.3
103.05431	1.3
105.07027	16.0
107.08582	17.4
109.06519	5.0
109.10140	7.5
111.08052	1.1
111.11691	0.9
115.70985	0.8
115.96375	1.0
119.04897	3.1
119.08577	14.9
121.06488	1.3
121.10148	6.3
123.08063	100.0
123.11695	4.3
124.08431	1.0
131.08452	1.3
133.10127	22.1
135.11679	12.3
137.09604	2.5
137.13283	6.1
137.31238	0.7
147.04430	5.0
147.11678	16.4
149.13220	6.4
151.11179	11.5
160.78017	1.0
161.13292	4.2
163.14839	2.1
164.11902	0.8
165.12766	3.0
175.03862	4.7
179.06979	1.1
189.12746	1.3
189.14616	1.2
189.16364	25.4
207.02924	0.9
207.06474	3.6
207.13905	2.5
207.17432	63.4
208.17665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.83724	0.6
52.48895	0.5
53.03945	1.2
54.48443	0.5
55.01873	1.7
55.05505	6.5
55.07657	0.6
55.47081	0.7
56.07091	0.5
57.03419	0.9
57.07071	2.3
65.03935	1.1
66.02858	0.5
67.05508	9.9
67.25019	0.6
69.03440	3.2
69.07068	19.8
69.24632	1.3
69.25045	4.6
71.04977	1.5
71.08615	1.1
79.05067	0.7
79.05493	6.3
80.63565	0.5
81.03408	0.7
81.07056	22.9
83.04978	27.2
83.08620	3.4
85.06550	1.1
90.44135	0.6
90.44703	0.6
91.05479	18.0
93.03436	0.6
93.07044	16.2
95.04974	3.6
95.08604	26.0
97.06525	6.0
97.10169	1.5
99.08000	0.6
103.05464	0.8
105.07029	21.3
107.04946	0.9
107.08595	16.9
108.49686	0.6
109.06513	8.2
109.10155	7.9
111.08058	2.5
111.11696	1.5
113.32957	0.7
117.06985	0.8
119.04944	6.2
119.08580	12.4
121.06508	1.1
121.10146	6.5
123.08067	100.0
123.11691	6.4
124.08398	1.3
125.09632	1.6
131.08536	1.3
133.06464	1.1
133.10132	25.5
133.97423	0.7
135.11694	5.7
137.09627	2.9
137.13246	7.1
139.11211	0.8
145.10159	1.0
147.04427	4.2
147.11687	18.8
148.11885	0.6
148.14845	0.6
149.02383	1.2
149.09619	2.3
149.13263	6.5
151.07542	0.7
151.11182	14.5
152.11456	0.8
159.11621	0.7
161.13258	4.7
163.11182	1.2
163.14832	2.8
164.11983	1.9
165.12730	5.7
171.11673	1.0
175.03908	4.6
179.07042	1.5
189.12822	1.4
189.16379	20.9
190.04959	1.0
192.04193	1.9
207.02914	0.9
207.06494	5.8
207.13882	2.8
207.17441	79.8
208.17767	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	207.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01861	1.5
55.05506	7.4
57.07076	2.8
65.03925	1.5
67.05502	9.2
69.03426	1.8
69.07063	12.0
71.04977	1.4
77.03923	0.8
79.05494	5.0
80.27784	0.6
81.03396	0.5
81.07049	19.0
83.04972	27.6
83.08600	2.1
85.02924	0.8
85.06519	0.7
86.10896	0.5
91.05476	16.1
93.07038	13.2
95.04977	3.4
95.08600	22.8
97.06531	5.1
97.10155	1.8
104.78268	0.6
105.07025	14.7
107.08590	12.9
108.05760	1.1
109.06504	6.6
109.10137	7.1
111.08064	2.3
111.11723	0.6
117.06970	0.7
119.04930	5.4
119.08566	12.7
121.06467	1.5
121.10133	7.3
123.08058	100.0
123.11680	5.6
124.08374	1.3
125.09601	1.7
131.08601	1.4
132.02061	0.7
133.10124	19.6
135.11687	5.6
137.09592	2.5
137.13239	6.4
145.10092	1.3
146.03601	1.1
147.04413	5.4
147.08054	1.2
147.11676	13.3
149.02336	1.5
149.09610	2.2
149.13252	6.3
151.07484	1.0
151.11168	10.7
161.13240	4.5
163.03917	0.8
163.11163	1.6
163.14799	2.3
164.04678	1.5
164.11919	0.8
165.12753	4.1
175.03915	5.9
179.07014	2.5
189.12721	1.8
189.16374	19.5
190.04947	1.1
192.04172	1.8
207.02951	0.7
207.06499	7.2
207.09984	1.1
207.13806	3.4
207.17432	61.9
208.17752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.3
55.01852	1.5
55.05504	4.5
57.07064	3.1
59.04972	3.0
65.03943	10.6
65.85506	1.3
67.05492	5.3
69.03421	8.3
69.07043	3.1
70.68999	4.7
71.04971	1.8
77.03930	2.4
77.41427	1.5
79.05499	8.9
79.38012	1.2
81.07051	9.6
83.04964	3.9
85.02904	11.6
85.06550	3.3
89.03898	2.3
90.04675	2.2
91.05478	100.0
92.05811	2.4
93.07022	8.9
95.04955	5.7
95.08588	7.3
103.05463	4.5
105.03373	2.4
105.07023	36.8
107.04953	7.5
107.08585	11.5
108.05714	1.8
109.06516	21.6
109.10159	3.0
115.05466	2.2
116.06239	1.6
117.06998	4.9
118.04161	12.2
119.04939	88.9
119.08580	33.5
120.05238	1.9
121.02832	3.4
121.06512	3.8
121.10160	16.4
123.08070	12.6
123.11710	7.6
128.06223	4.7
129.06990	5.9
130.07770	3.8
131.04865	3.6
131.08556	12.9
132.02057	8.7
133.06493	3.4
133.10146	9.6
135.04401	3.1
135.07947	2.2
136.05183	3.4
137.09653	1.7
141.06987	1.7
143.08536	7.5
145.06485	2.4
145.10126	10.9
146.03596	8.2
146.10861	4.6
147.04404	66.6
147.08038	10.1
147.11690	43.4
148.05081	2.5
149.02376	8.5
149.03357	1.4
149.06003	1.8
149.09624	9.2
151.07545	7.2
156.09337	14.9
157.03944	5.6
159.08023	5.5
159.11649	2.5
160.08836	2.1
161.05972	39.9
161.09602	12.5
161.13261	10.9
163.03870	2.2
163.11177	7.5
164.04683	6.4
165.12669	1.9
171.11696	5.8
173.09540	1.4
174.03107	5.8
174.10435	8.4
175.03906	69.4
176.04230	1.4
177.01900	2.2
179.07004	7.7
179.08420	1.5
189.09119	8.3
189.12730	39.3
192.04108	15.4
207.06532	34.1
207.13806	59.4
208.06801	1.7
210.30351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	1.3
53.03762	0.8
53.03949	8.7
55.01862	1.8
55.05512	10.0
57.03443	1.2
62.33885	0.9
65.03937	3.3
67.05504	30.3
69.03415	2.8
69.07060	6.3
69.75841	3.1
69.76254	2.7
71.04996	3.2
73.06544	1.0
79.05492	49.0
81.03404	1.8
81.07052	27.5
83.04981	3.4
83.08601	3.4
85.02898	1.6
85.06556	3.0
87.04443	1.3
91.05480	67.2
92.05800	1.2
93.07043	100.0
95.04966	16.7
95.08605	10.0
97.06530	1.6
97.10170	2.0
98.20841	1.2
99.04456	1.5
103.05449	2.3
105.04534	3.2
105.07029	27.7
107.04952	1.6
107.08579	14.4
109.06513	7.0
109.10145	3.0
109.92175	1.0
115.05457	1.7
117.06260	1.2
117.06965	5.2
119.04922	13.6
119.08578	19.7
121.06442	2.2
121.10142	5.0
123.08071	5.9
123.11686	1.8
128.06232	1.5
129.07002	9.6
131.04996	1.6
131.08545	2.3
132.02071	2.3
133.10115	8.6
135.11703	1.7
137.05974	2.1
143.08551	8.3
145.10138	8.9
146.03581	1.4
147.04408	14.1
147.08017	2.6
147.11684	59.1
149.02362	3.2
149.09615	3.7
151.07492	2.6
161.09610	5.0
161.13231	9.5
163.07596	1.6
163.11147	2.1
164.04662	3.4
171.11685	20.6
174.03194	1.7
175.03914	12.3
179.06981	2.9
189.12720	11.7
189.16434	2.5
190.04965	2.1
192.04181	4.0
207.06485	11.0
207.08229	1.4
207.10094	1.5
207.13780	26.3
207.17430	2.8
208.14273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	1.3
53.03943	7.2
55.01865	2.4
55.05513	8.0
57.03435	0.6
57.07069	0.9
59.04985	0.8
59.55752	0.7
63.21596	0.7
65.03938	3.4
67.05499	25.7
69.03418	2.1
69.07060	8.4
71.04984	2.8
73.06561	1.0
77.03907	1.7
79.05489	47.7
81.03407	2.0
81.07051	26.7
83.04987	4.6
83.08625	4.2
85.02901	0.8
85.06541	3.4
91.05475	63.0
92.05823	1.1
93.07036	100.0
94.07384	0.9
95.04960	17.2
95.08598	14.5
97.06507	3.6
97.10159	1.9
98.21638	1.3
103.05464	1.5
105.03371	1.0
105.04518	2.2
105.07023	32.0
107.04931	1.7
107.08581	15.0
108.05733	1.0
109.06525	5.6
109.10153	4.4
111.04494	0.8
111.08091	1.4
115.96414	1.4
117.06995	4.6
118.04141	1.6
119.04935	11.3
119.08576	21.5
121.02908	0.9
121.06493	3.8
121.10137	4.9
123.04450	1.3
123.08057	7.2
123.11703	2.9
127.07552	1.6
128.06218	2.0
129.06990	10.8
130.07770	1.0
131.05002	1.6
131.08586	2.6
133.02739	0.7
133.06467	2.6
133.10114	11.2
135.11700	4.9
136.05190	0.8
137.05957	1.5
137.09608	1.8
143.08554	6.4
145.10121	9.0
146.03616	1.0
147.04410	10.5
147.08041	3.9
147.11678	54.6
148.12025	1.0
149.02328	3.0
149.09595	2.2
149.13280	1.1
151.07513	2.2
156.09326	0.9
157.03883	0.9
161.06021	0.8
161.09618	3.0
161.13249	9.7
163.07501	1.1
163.11165	2.1
164.04655	2.1
165.09039	1.5
165.12714	1.6
171.11679	20.7
174.03079	1.1
175.03888	10.6
179.07028	2.0
179.14272	1.0
189.09125	0.8
189.12744	13.8
189.16364	5.3
190.04974	2.8
192.04152	5.2
207.02856	1.4
207.06500	14.2
207.08411	1.1
207.10027	1.6
207.11987	1.1
207.13776	26.1
207.17345	6.0
208.14095	0.9
229.29547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.21962	0.6
51.02383	0.7
52.17703	0.6
53.03941	1.3
54.94875	0.7
55.01867	1.1
55.05496	1.1
58.23972	0.7
63.02370	1.1
63.32976	0.7
64.03121	0.9
65.03937	9.5
67.05512	1.7
67.30608	0.7
69.03426	1.5
69.07067	1.6
69.17680	0.8
69.18024	8.6
76.03155	1.1
77.03922	2.8
79.05490	2.5
80.06256	0.8
81.07066	1.8
83.04974	1.0
85.02904	2.2
86.10133	0.6
89.03912	5.3
90.04695	1.9
91.05478	99.8
92.05818	2.0
93.03413	1.5
93.07040	2.6
95.04996	2.6
95.08610	1.7
103.05471	2.8
104.02611	1.3
105.03391	2.1
105.07027	3.0
107.04966	1.5
107.08576	3.5
108.05755	2.1
109.06496	1.9
109.10165	0.9
117.03412	1.2
118.04160	7.3
119.04937	98.8
119.08580	2.8
120.05295	2.3
121.02898	2.2
121.06555	1.4
121.10143	2.1
122.03671	1.5
123.04409	1.0
123.08044	1.4
123.11717	1.4
129.03346	2.1
129.04453	0.7
131.04945	1.0
132.02068	10.1
133.02867	2.0
133.06476	1.1
133.10153	2.0
134.03584	1.2
135.04453	3.9
135.11714	0.7
136.05191	3.2
137.05981	1.1
137.09595	0.8
145.02844	2.3
145.10159	0.8
146.03610	6.6
147.04402	80.0
147.11700	2.3
148.04785	1.7
148.41776	0.7
149.02330	11.1
149.09618	2.1
150.03099	1.1
151.07559	0.9
156.09396	0.9
157.03957	8.0
161.05956	3.6
161.09576	1.2
161.13249	1.6
162.03111	1.8
163.03816	1.4
163.11154	2.4
164.04695	6.4
165.09026	0.8
165.12802	1.0
171.11784	0.8
174.03145	5.5
175.03900	100.0
176.04378	1.6
177.01849	1.7
179.07028	9.6
189.09038	0.8
189.12750	2.2
192.04158	17.4
207.06519	45.2
207.13774	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02384	0.8
52.20864	0.6
53.00309	0.6
53.03946	1.4
56.96560	0.7
61.27940	0.6
62.69603	0.6
65.03941	7.6
66.04710	0.7
66.22440	0.6
67.05490	0.8
69.03436	1.0
69.07065	1.0
69.50568	2.0
69.50994	3.0
73.91472	0.7
76.03137	1.2
77.03918	2.6
79.05499	3.8
81.07064	2.3
85.02896	1.1
88.90416	0.6
89.03904	5.2
89.63456	0.5
90.04723	2.2
91.05481	100.0
92.05814	2.0
93.03427	1.5
93.07054	4.8
95.04956	1.8
95.08620	0.8
98.21405	0.9
98.97580	5.5
103.05467	2.4
104.02605	1.1
105.03393	1.8
105.07029	1.7
107.04947	2.1
107.08592	4.0
108.05753	1.7
109.06527	0.8
109.10181	0.7
116.98626	2.3
117.03426	1.5
118.04167	9.8
118.20576	0.6
119.04942	88.4
119.08582	1.9
120.05282	1.9
120.79058	0.7
121.02881	2.6
121.06512	0.7
121.10143	0.8
121.86371	0.6
122.03635	0.8
123.04489	0.7
123.08083	1.6
123.11653	0.7
129.03362	2.4
129.04369	0.6
131.04968	1.4
131.08597	0.7
132.02063	9.1
132.99626	0.6
133.02875	1.7
133.10143	0.9
134.03625	1.5
135.04422	4.0
136.05176	2.7
145.02840	2.2
145.10141	0.8
146.03616	9.7
147.04408	68.8
147.11716	2.0
148.04779	1.3
149.02356	10.1
149.09557	0.8
150.03169	1.7
151.07553	1.3
157.04001	6.7
158.99686	2.0
160.01559	1.1
161.06015	1.9
161.13184	0.9
162.03160	0.7
163.03893	2.1
164.04681	6.4
165.09126	1.4
174.03119	5.7
175.03908	80.4
176.04308	2.1
177.00717	2.0
177.02046	1.0
178.02556	0.8
179.07039	8.2
186.07217	0.7
189.12762	1.1
192.04173	21.1
193.04558	0.6
195.07765	0.9
207.06532	42.0
207.13774	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	207.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94704	2.7
53.03942	5.3
55.01883	24.0
55.05496	3.1
56.96566	44.6
57.03440	60.9
60.04516	6.3
61.02709	2.2
61.02934	26.9
69.03435	49.1
69.82483	2.9
70.03760	3.0
70.42479	6.1
70.42808	3.5
71.01349	7.3
71.04986	5.1
72.18024	2.3
73.02927	72.2
74.03262	3.9
74.06075	5.3
77.00920	3.6
79.04185	2.4
80.67555	2.3
80.94975	4.7
81.03416	17.0
83.04975	9.4
84.96033	9.3
85.02910	76.0
86.03241	2.6
86.99371	3.6
87.04459	9.7
89.00760	3.9
91.05482	13.9
94.02670	3.8
95.00757	4.3
95.04989	2.8
95.08620	3.6
96.01551	4.2
96.02431	3.4
97.01453	3.5
97.02897	61.4
98.01282	4.9
98.03236	5.2
98.97592	73.0
99.04454	13.1
100.02524	9.1
101.00854	23.0
101.02437	3.2
102.00980	3.4
102.02407	8.9
103.00670	3.8
103.03912	3.6
104.01283	6.4
108.01549	3.4
108.02419	5.0
109.02855	13.7
110.01269	15.7
110.51443	3.0
110.97585	22.8
111.02914	6.0
111.04453	5.5
113.00884	6.7
113.01707	2.8
115.02438	19.2
115.03181	5.7
116.01282	5.4
116.98623	33.0
117.02121	4.4
117.02912	9.9
117.04035	3.8
118.01096	3.3
118.03553	6.4
119.01869	79.7
119.04984	13.2
120.02147	4.5
120.03344	4.0
120.04463	7.4
121.01659	9.7
121.03088	3.1
121.97581	5.2
123.02056	4.3
124.93925	3.3
126.03447	9.5
127.03922	20.8
128.02322	21.9
128.98602	21.7
129.02924	3.6
130.52560	3.2
131.01900	52.6
132.01906	3.9
132.03442	7.4
132.53485	4.0
133.01654	7.8
133.03484	21.8
133.05209	4.3
133.06516	3.1
134.02283	6.4
134.05992	12.6
134.99655	10.6
135.02988	8.8
137.01834	3.9
137.02859	10.0
138.02534	3.8
138.03474	4.8
138.53502	3.2
139.02548	3.3
139.03909	4.0
140.02315	19.5
140.98602	6.7
141.02864	3.6
142.03503	3.6
143.00171	10.8
143.01871	39.6
144.03445	7.0
145.03471	11.8
146.02315	15.8
146.03502	3.9
146.40004	2.6
146.99663	17.2
147.01338	4.7
147.03029	2.9
147.04295	8.8
147.06813	3.1
149.02953	13.5
150.03484	3.1
150.53458	3.2
151.02652	3.3
152.02336	9.5
153.04001	6.4
153.54031	3.0
155.01767	20.6
155.03029	12.5
156.02090	4.9
156.03384	4.6
156.05052	3.2
157.03493	20.5
157.04735	3.2
158.03424	3.2
158.99693	14.4
159.03075	5.2
161.01241	14.0
161.02951	100.0
162.03311	6.4
162.09180	5.8
165.00751	2.8
167.01814	6.5
169.03561	3.3
170.03409	6.3
170.99675	13.7
171.01181	3.2
173.02963	47.6
174.03172	9.4
175.04230	8.1
175.06241	2.7
177.00752	20.8
179.02213	4.1
179.04019	10.6
179.05461	5.6
180.04878	3.4
182.03360	13.2
182.99603	7.6
183.97643	6.1
184.04553	27.5
185.02945	43.1
186.03084	4.4
187.04536	3.8
189.00694	26.5
189.05070	3.3
190.04997	9.2
190.08655	18.9
191.03926	10.1
192.04086	3.8
195.01587	2.9
197.02945	5.0
198.05569	3.5
200.04533	3.8
201.00723	15.8
203.04027	26.3
207.03096	5.3
207.04848	5.1
207.06548	6.6
207.10500	3.9
207.13675	4.5
208.04552	6.3
215.03941	7.7
219.01807	23.9
221.05109	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	207.0498
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.03933	11.1
55.01867	49.3
55.05493	18.2
56.85374	5.6
56.96563	38.5
57.03436	86.0
57.07048	8.5
59.04992	10.9
60.04516	10.0
61.02922	58.3
65.03923	12.6
67.05489	24.6
69.03432	53.3
69.07061	10.2
70.98441	11.4
71.01355	37.2
71.04988	13.5
73.02911	71.8
75.04485	6.5
78.94822	4.9
79.05478	17.7
81.03415	17.1
81.07046	23.2
83.01341	27.1
83.04969	15.7
83.08605	7.1
85.02901	87.8
87.00853	11.4
87.04463	53.3
89.02399	10.4
91.05478	100.0
93.07030	17.6
95.01313	10.3
95.04967	21.3
95.08608	44.4
97.02870	33.4
98.97547	30.6
99.00791	38.0
99.04465	13.2
100.02489	10.5
101.02370	93.6
103.03909	15.2
103.05477	6.8
105.07015	38.5
107.04977	9.9
107.08576	20.9
109.06506	32.8
109.10152	13.7
110.01277	6.4
111.00788	17.8
111.04436	9.4
113.02358	22.2
115.02405	15.5
115.03928	86.7
116.98621	20.1
117.06945	5.9
118.03505	8.6
119.01889	53.3
119.04934	95.2
119.08581	28.9
120.01987	6.8
120.04478	9.0
121.01667	18.0
121.06516	10.4
121.10117	20.2
123.04427	9.8
123.08031	32.5
123.11716	12.1
127.03912	11.6
128.02324	18.8
128.98615	11.4
129.01840	54.5
131.01868	25.2
131.03413	20.7
133.01630	8.3
133.03447	20.8
133.06485	8.4
133.10144	15.3
134.06004	8.8
134.99664	16.4
135.03069	5.7
137.02911	5.8
137.06056	8.2
137.07092	23.3
137.09613	15.5
140.24496	5.6
143.01836	9.0
143.03394	34.8
145.01643	6.6
146.03587	7.8
146.99635	21.3
147.02914	35.9
147.04388	87.5
147.08078	8.8
147.11700	26.4
149.02780	7.1
149.09608	33.2
151.02747	6.7
151.03935	9.6
151.07542	13.1
157.01334	64.9
157.03508	19.1
158.99698	12.0
161.01251	9.7
161.02937	41.9
161.04547	10.9
161.05994	22.2
161.07137	10.8
161.09596	8.8
161.13264	17.5
163.11176	12.4
164.04642	7.9
165.05423	7.8
165.09103	8.7
165.12823	6.6
170.99728	7.6
171.01376	11.9
171.11740	7.7
173.02945	21.0
174.03108	7.7
175.02510	9.2
175.03880	78.4
177.02168	6.8
179.03783	7.1
179.05412	12.2
179.06847	9.2
179.08224	19.8
184.04503	26.9
185.02982	32.7
189.00606	13.7
189.03926	6.6
189.05321	8.4
189.12779	23.9
189.16386	11.4
190.04971	40.9
190.08684	7.6
191.03860	8.2
192.04135	34.1
193.04866	12.0
201.00700	7.3
202.02663	12.7
202.84979	7.1
203.04002	13.5
207.02890	25.2
207.04745	10.5
207.06442	58.3
207.10085	7.9
207.13741	45.4
207.17526	19.5
219.01862	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	207.0287
Annotation	Pisonin D
Peak:m/z	Relative Intensity
53.00308	0.2
53.03931	0.3
55.01856	0.8
55.05500	0.2
56.96562	0.9
57.03419	0.5
58.33552	0.2
59.10477	0.2
60.95733	0.2
61.02904	0.2
65.03935	9.6
67.05480	0.6
68.99449	0.2
68.99790	3.5
69.03408	0.7
69.07056	0.3
70.31284	0.2
70.70373	0.5
71.01334	0.5
73.02903	0.4
77.04604	0.2
79.01840	0.4
79.05486	1.8
81.03414	0.5
81.07030	0.6
83.04964	0.6
85.02897	0.4
91.05471	4.0
93.03391	0.7
93.07033	0.7
94.04165	0.2
95.04954	3.5
95.05502	0.3
95.08615	1.1
95.09106	0.2
97.02876	0.6
97.06475	0.2
98.20848	0.2
98.97555	0.4
102.92610	0.2
103.05493	0.4
104.74498	0.2
105.03398	0.3
105.07011	1.4
107.04955	2.2
107.08578	0.5
109.02850	0.7
109.06513	0.7
109.07637	0.2
109.10151	0.4
110.97565	0.5
111.00784	0.2
111.04433	20.6
111.40829	0.2
115.05422	0.2
116.98595	0.4
117.07030	0.3
118.04231	0.2
119.04924	3.0
119.08585	1.1
120.04464	1.0
121.03983	4.9
121.06448	0.5
121.10136	0.7
122.03607	0.2
123.04418	5.0
123.08024	0.8
123.11710	0.3
125.06159	0.2
126.03065	0.2
128.98601	1.2
131.04936	0.3
131.08504	0.3
133.04781	0.6
133.06488	0.6
133.10133	0.5
134.99615	0.3
135.04427	1.1
135.08022	0.3
137.02327	0.7
137.05992	0.2
137.09592	0.6
141.05484	0.9
146.03589	0.5
146.99651	1.2
147.04401	3.4
147.06262	0.2
147.08037	0.5
147.11700	0.7
148.08519	0.2
149.02383	0.4
149.09598	0.6
151.02846	0.3
151.03871	1.5
151.07530	0.7
161.01161	0.3
161.05965	0.6
161.06995	0.3
161.09621	0.4
161.13269	0.5
162.05449	0.6
163.03889	7.7
163.11221	0.2
164.04602	0.3
165.05357	0.2
165.09004	0.2
165.12697	0.3
169.04958	1.3
175.03877	2.5
178.04961	0.8
179.03384	1.2
179.05302	2.3
179.07007	0.6
181.04897	0.2
183.97717	0.2
189.05356	0.5
189.09160	0.3
189.12743	0.5
190.04961	2.5
192.04138	0.8
193.29225	0.2
207.02872	100.0
207.06337	2.6
207.13780	1.2
207.17458	0.6
208.03162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Indolelactate
Peak:m/z	Relative Intensity
55.05520	0.8
56.96558	1.2
57.74044	0.6
59.13135	0.7
65.03944	1.9
67.05496	1.5
68.05005	0.8
69.03427	2.6
69.07054	0.6
69.64021	2.8
75.99744	0.7
77.03935	0.9
79.05483	2.0
81.03416	1.1
81.07062	1.2
85.02888	0.6
89.03898	1.0
91.05477	21.7
93.07053	1.9
94.07341	1.0
95.04969	1.5
95.08605	1.1
97.02891	1.1
97.42123	0.6
98.20854	1.2
98.97545	1.1
102.16399	0.6
103.05463	1.9
105.07019	3.4
107.04995	1.0
107.08590	1.8
109.06503	1.4
109.07647	1.0
115.05447	7.7
117.05786	5.7
117.07031	2.6
118.06535	100.0
119.04933	16.2
119.06845	2.0
119.08557	2.2
120.08115	4.1
121.02886	1.0
121.06473	2.0
121.10134	1.3
122.06883	1.4
123.08095	0.7
129.06967	1.1
130.06519	71.1
131.07339	7.2
132.02055	1.0
132.04446	0.8
132.08083	23.2
133.08379	0.7
134.06021	0.9
135.04440	0.9
135.08096	0.7
136.08609	0.6
137.09325	0.7
142.06520	10.1
143.07292	5.5
144.08086	13.5
145.06433	0.7
146.05998	49.9
147.04410	12.9
147.06300	0.8
147.08041	1.0
147.11673	0.8
149.02345	2.9
149.09575	0.9
150.02713	2.2
150.06367	1.5
151.07558	1.4
157.03958	1.3
160.07564	46.9
161.05904	1.0
161.13280	1.1
163.03937	1.2
163.07597	0.8
164.04623	1.8
170.06006	40.3
171.11613	0.9
174.05458	1.3
175.03899	15.6
178.05029	1.0
178.08572	3.9
179.06985	2.3
188.07059	53.6
189.07356	1.0
189.09114	1.0
190.05058	0.9
191.14293	1.9
192.04164	2.7
206.08115	39.2
206.12065	1.5
207.06531	8.3
207.08240	1.3
207.10127	0.7
207.13742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Indolelactate
Peak:m/z	Relative Intensity
55.05494	1.0
56.96563	1.2
65.03927	3.3
67.05499	1.5
68.05059	0.9
69.03412	3.2
71.51347	1.0
72.04623	0.9
75.15649	0.8
77.03902	0.8
79.05487	1.6
81.03396	1.3
81.07049	1.0
82.06585	1.0
83.04967	0.9
85.02879	2.1
87.88425	0.9
89.03884	1.7
91.05479	21.9
93.07028	2.7
95.04951	1.3
95.08609	1.1
103.05447	2.4
105.07027	4.4
105.07608	0.8
107.04975	1.1
107.08554	1.6
109.07626	0.8
109.10144	1.2
115.05447	7.4
117.05750	5.4
117.06992	2.3
118.06535	100.0
119.04121	1.7
119.04935	20.7
119.06853	1.3
119.08562	2.8
120.08143	4.4
121.06474	2.5
121.10140	1.6
122.06892	1.3
123.08044	2.6
128.06158	1.0
130.06517	75.0
131.07339	7.2
132.02034	1.3
132.04457	1.4
132.08090	20.4
135.04413	1.1
136.05170	0.8
142.06529	9.7
143.07347	5.2
143.08273	1.0
144.08064	12.0
146.06000	47.9
146.10439	1.7
147.04399	15.5
147.11670	1.5
148.08644	1.1
149.02280	4.0
149.06075	0.9
149.09485	1.1
150.02679	2.1
150.06299	2.5
151.07590	1.0
157.03976	1.4
160.07564	46.3
161.05974	1.1
161.09587	1.5
161.13283	1.0
164.04639	1.1
170.06003	38.2
171.06277	1.1
174.03050	0.9
175.03894	16.3
178.08536	2.4
179.06972	3.0
188.07053	50.8
189.07327	1.9
189.09026	1.0
189.12715	1.5
191.14278	1.6
192.04152	4.6
206.08104	33.0
206.12207	1.9
207.06538	9.6
207.10167	1.4
207.13806	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	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.96551	0.3
58.45475	0.2
68.99805	0.2
69.03421	0.2
70.63556	0.5
70.74763	0.2
78.58764	0.2
91.05446	0.2
94.16246	0.2
97.02879	0.3
104.04998	0.7
110.06041	0.2
115.75032	0.2
118.06535	0.6
130.06467	0.2
132.04440	23.6
133.04813	0.2
146.06010	0.6
146.99715	0.2
147.04308	0.2
149.02324	0.2
150.02682	0.3
160.03975	0.5
174.05484	0.2
178.04976	100.0
179.05353	1.5
180.05428	0.2
191.14238	0.3
206.04466	41.2
207.02994	0.3
207.04793	0.6
207.06560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.1
56.96545	9.1
58.99843	2.8
60.99601	2.4
67.05479	2.7
68.05035	2.3
68.72240	1.8
69.69897	6.9
69.70301	5.6
73.09726	1.8
77.00901	5.0
79.19939	1.9
83.06078	2.0
86.13026	2.0
91.05464	7.0
92.54067	1.9
95.01957	2.6
95.06100	2.3
97.07632	6.4
98.97575	3.6
100.02460	9.0
101.00877	12.6
102.02179	2.2
105.07010	2.3
107.08611	3.1
116.98561	4.6
118.03535	9.9
118.06522	7.1
119.01917	100.0
119.03607	4.1
119.04967	2.4
120.01974	5.0
120.03229	2.4
121.01653	5.5
121.06497	2.1
131.01912	4.6
132.01933	2.5
133.03468	5.6
134.99594	2.9
137.02948	51.5
138.03075	4.9
139.02606	3.4
141.05096	16.1
142.03499	95.8
142.04626	4.7
146.06013	7.7
147.04332	4.7
150.02672	6.0
154.03481	4.1
156.05141	3.1
159.06178	17.3
160.02713	4.0
160.04533	58.3
161.02950	12.5
161.04590	2.2
165.05159	12.7
173.02911	4.2
174.05354	4.4
175.03914	3.7
178.03801	7.9
178.05884	3.1
178.08617	10.6
179.03975	5.3
182.02902	2.5
183.01361	9.4
183.02896	4.4
183.04880	5.0
183.06165	73.7
184.04555	9.2
184.06122	3.1
184.32501	2.2
187.41600	2.0
189.11331	2.6
191.14278	5.7
201.00671	11.4
201.02428	51.7
201.07288	28.3
201.09737	9.6
202.02794	2.7
202.05528	2.7
206.02992	3.8
206.05099	2.7
206.07970	17.4
207.06526	3.8
219.01695	4.0
219.03531	27.5
219.10799	5.0
224.04102	7.7
225.02338	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.40661	0.7
53.03939	0.9
55.05512	10.7
57.07076	6.0
64.76498	0.9
65.03946	1.6
67.05505	9.8
69.07069	18.5
69.49358	5.7
69.49758	1.5
79.05494	13.2
81.07056	56.9
83.08614	5.9
84.04485	0.9
91.05480	6.4
93.07046	50.1
95.04940	1.4
95.08605	25.0
96.08915	1.0
97.02869	2.1
97.10167	4.5
105.07021	6.1
107.08595	28.6
109.02862	0.8
109.09396	1.0
109.10158	19.1
111.04404	1.3
111.11712	2.2
112.07026	0.9
119.08579	1.4
121.02866	3.8
121.10146	100.0
122.10490	1.7
123.08032	1.1
123.11712	9.1
125.15640	0.9
131.04895	1.1
135.11703	16.8
137.13255	1.3
147.11681	1.1
149.02356	15.8
149.13261	35.8
160.20096	0.9
163.11208	1.0
163.14771	2.9
187.14793	1.6
194.45903	1.0
205.04984	1.7
205.15935	2.6
205.19547	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	1.0
55.05509	10.3
57.07071	8.8
65.03941	6.2
67.05498	8.4
69.06696	0.9
69.07063	17.1
69.49507	2.0
69.49931	4.1
71.08609	1.4
79.05492	12.8
81.07051	56.6
83.08619	4.9
91.05470	6.3
93.03387	3.0
93.07036	48.9
94.07349	1.2
95.04962	2.0
95.08600	23.8
97.02914	1.2
97.10152	4.5
98.00737	0.8
105.07016	4.2
107.08586	31.8
109.02911	0.9
109.06519	1.0
109.10143	21.3
111.11720	1.9
119.08585	1.6
121.02860	11.1
121.03949	1.8
121.10132	100.0
122.10464	2.3
123.08071	1.1
123.11691	8.9
129.47522	0.7
135.11676	19.3
137.13211	1.0
145.10027	1.0
149.02327	86.8
149.12054	2.0
149.13245	40.4
150.02699	3.1
163.14807	3.1
166.62108	0.8
177.16432	0.9
191.14308	0.9
205.04851	1.0
205.15958	1.5
205.19547	15.6
221.62465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03935	1.9
55.05511	11.9
57.07067	5.2
65.03941	1.1
67.05498	24.0
68.05032	1.1
69.07069	29.2
69.81882	5.5
71.91826	1.0
72.93785	14.0
74.82063	1.0
79.05488	4.6
79.63358	1.0
81.04546	1.1
81.06594	1.4
81.07054	20.3
82.09941	0.9
83.08613	5.7
89.94013	1.0
90.94821	6.3
91.05450	2.7
93.07038	15.3
95.06039	1.4
95.08602	43.1
97.07646	1.5
97.10167	6.3
98.07160	1.2
98.21389	1.4
105.07011	3.8
107.08589	22.7
108.95876	1.3
109.07655	1.8
109.10152	100.0
110.10504	1.9
111.11715	10.5
112.08730	1.0
113.96394	21.8
114.05513	1.0
119.08534	1.0
121.02855	3.2
121.10134	25.1
122.07087	1.7
123.09190	1.3
123.11681	8.5
131.97437	30.0
133.10141	1.6
135.11684	27.0
137.13156	1.3
145.10075	1.6
147.11676	1.8
149.02328	17.2
149.13269	18.2
154.99025	11.8
159.11702	1.4
163.09778	2.2
163.14828	4.0
164.09340	1.9
171.27037	0.8
189.11246	1.1
204.99265	1.1
205.04901	1.9
205.08739	1.0
205.10619	1.6
205.12456	1.1
205.14430	2.8
205.19516	47.4
206.07983	1.4
206.13997	2.1
206.19798	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03933	1.2
55.05511	8.5
57.07073	7.9
65.03931	5.8
67.05501	9.3
69.07064	17.9
69.97945	2.5
69.98344	2.2
71.08617	1.1
79.05489	12.0
81.07052	51.5
83.08620	4.8
86.26133	0.9
91.05471	7.3
93.03376	1.6
93.07037	48.6
95.04971	1.2
95.07990	1.3
95.08601	25.1
97.02885	1.0
97.10167	3.6
105.07016	5.6
107.08587	32.8
108.08890	0.9
109.10148	20.7
111.11707	1.8
116.06091	1.0
119.08576	2.6
121.02853	9.3
121.03876	2.3
121.10136	100.0
122.10481	2.8
123.11700	8.6
135.08035	0.8
135.11684	20.2
137.13274	1.5
145.10133	1.8
147.11703	1.2
149.02328	69.2
149.13252	36.8
150.02737	1.7
163.14789	2.9
167.03598	1.2
186.26515	0.9
205.04977	1.2
205.14221	1.4
205.15933	2.9
205.19536	18.4
206.08188	1.3
206.19800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03936	2.7
55.01845	2.3
55.05514	12.9
57.03427	2.8
57.07071	15.6
59.04994	2.7
60.04499	2.2
64.46285	1.5
65.03922	7.2
66.74503	1.5
67.05505	15.0
69.03418	3.6
69.07060	34.5
71.04995	2.1
71.51102	2.3
79.05492	15.7
79.30643	1.5
81.07061	23.2
83.01317	1.5
83.04964	4.6
83.08250	1.4
83.08620	15.7
84.04465	2.1
85.02877	1.6
85.04819	2.1
85.06512	3.2
85.27840	1.4
91.05478	24.3
93.03367	2.5
93.07044	34.6
95.04957	3.2
95.08605	45.6
97.02888	8.0
97.04790	3.8
97.06496	3.6
97.10155	4.4
98.03201	1.7
103.05455	3.7
105.07025	42.3
107.04946	4.4
107.08588	89.2
109.02857	3.3
109.06507	7.7
109.10150	15.0
111.08077	6.5
115.05365	1.8
116.06209	2.1
117.07006	21.1
119.07709	2.3
119.08578	67.8
121.02896	9.5
121.06523	8.8
121.10135	81.2
123.08051	7.3
123.11694	4.7
127.05804	3.3
128.06241	1.7
129.06999	6.5
130.07770	3.1
131.04921	3.2
131.08565	26.5
133.10118	57.7
135.08040	8.7
135.11690	19.3
137.05988	1.7
143.08539	8.7
144.09317	4.3
145.02855	3.6
145.06494	3.1
145.10117	94.7
146.05991	2.1
147.08020	3.9
147.11673	20.6
149.02325	63.3
149.06015	2.4
149.09631	6.4
149.13228	10.7
157.10133	6.7
158.10881	9.4
159.07980	2.3
159.11681	31.7
161.13231	12.7
162.03204	1.9
162.10362	1.9
163.07541	1.8
163.09891	2.2
163.11176	28.1
163.14844	10.3
167.03496	2.2
172.12485	5.9
173.02280	3.3
173.13203	3.9
174.14006	4.9
175.14818	87.9
177.05469	13.5
177.12740	6.0
177.16379	39.9
177.17969	1.2
178.08525	1.8
187.11241	4.9
187.14810	59.9
200.22668	1.8
205.04930	17.5
205.08699	4.6
205.12210	11.0
205.14207	7.0
205.15863	100.0
206.08087	3.0
206.16180	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	205.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.2
55.05513	14.6
56.96568	1.4
57.07079	7.9
65.03943	2.9
67.05509	18.2
69.03426	2.5
69.07071	17.7
69.97454	7.4
71.04988	3.7
72.35851	1.4
79.05486	15.4
81.07056	76.5
83.04980	26.4
83.08610	6.3
91.04917	2.0
91.05477	28.5
93.07047	27.2
95.04953	5.2
95.08606	46.7
97.02866	2.6
97.06509	1.8
97.39168	1.5
98.20887	1.5
103.05458	4.3
105.07033	80.4
107.08598	35.5
109.02862	2.0
109.06508	2.4
109.10181	8.7
115.05453	3.4
117.07021	18.5
119.08580	57.4
120.08907	2.2
121.02821	5.0
121.06501	5.2
121.09330	2.7
121.10144	25.6
123.08076	2.6
123.11706	59.4
128.06194	2.4
129.06989	6.4
130.07758	6.6
131.04889	1.6
131.08569	46.6
133.10133	36.6
135.08046	5.9
135.11690	9.7
143.08545	11.5
144.09331	4.1
145.06499	2.4
145.10121	100.0
146.10785	1.7
147.11679	26.7
149.02325	20.0
149.05931	2.2
149.09621	4.9
149.13266	5.9
157.10110	3.9
158.10887	6.6
159.11694	21.0
161.13268	5.3
163.11154	4.3
163.14905	2.3
172.12491	3.6
173.13268	26.8
174.13879	2.1
175.14828	63.8
176.15190	1.8
177.05487	21.1
177.12785	4.2
177.16391	16.2
187.11189	2.1
187.14818	51.8
188.15117	1.8
195.10379	1.5
205.04962	11.6
205.08710	4.1
205.12556	8.6
205.15878	94.7
205.19080	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03933	1.7
53.59146	1.2
55.05504	14.5
57.03437	1.2
57.07066	8.9
59.44186	1.2
65.03942	1.4
65.34306	1.0
67.05502	20.1
69.07063	22.9
69.37461	8.6
71.04985	1.8
71.58579	1.4
74.16496	1.1
79.05485	19.5
81.03398	1.2
81.07050	100.0
83.04974	31.2
83.08614	5.8
91.05473	22.5
93.06490	2.0
93.07039	29.1
94.74553	1.2
95.04956	4.6
95.08604	51.7
97.06515	2.0
97.10156	3.2
103.05455	3.9
105.07024	83.9
107.04987	1.7
107.08583	37.4
107.58784	1.1
109.06506	3.2
109.10148	10.7
115.05431	3.2
116.06193	1.5
117.07006	17.5
118.04091	1.3
119.08577	63.1
120.02074	1.4
121.02851	7.4
121.06484	1.8
121.10136	27.4
122.04938	1.2
123.08110	1.8
123.11697	76.9
128.06248	1.4
129.07002	3.8
130.07748	5.8
131.04906	3.2
131.08556	55.4
132.09366	1.2
133.10126	44.1
135.08014	5.6
135.11670	8.4
137.09523	2.0
143.08588	8.1
144.09335	4.0
145.06433	4.3
145.10115	98.7
146.10600	3.6
147.11685	23.8
149.02351	7.3
149.05969	2.3
149.09607	2.9
149.13246	8.8
157.10104	3.7
158.10901	9.2
159.04384	1.7
159.11690	21.0
160.12405	1.9
161.13252	7.8
162.03145	3.5
163.03891	1.4
163.11145	4.4
163.14835	1.8
172.12415	4.3
173.02486	1.3
173.13252	33.9
174.14005	1.7
175.14815	79.5
176.15111	2.5
177.05461	40.3
177.12776	1.8
177.16374	17.9
178.05862	2.0
187.14815	53.6
188.15163	1.6
205.04933	26.2
205.08723	3.1
205.12213	3.4
205.15863	88.5
205.19485	4.3
206.05453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03921	1.5
55.05509	12.0
57.07069	7.2
58.46820	1.2
65.03925	3.2
67.05499	18.9
69.07065	20.4
70.55711	3.6
71.04967	2.3
73.02917	1.4
75.56650	1.3
79.05489	16.6
81.03405	2.2
81.07051	92.2
83.04492	2.4
83.04970	31.7
83.08593	5.7
91.05468	24.5
93.07035	25.0
95.04961	4.4
95.08599	47.1
96.08966	1.4
97.02868	4.3
97.06487	2.2
97.10157	2.1
98.03233	2.0
105.07023	79.3
106.07334	1.8
107.08582	34.7
109.06509	2.5
109.10155	10.0
115.05447	2.6
117.07004	17.2
119.08573	64.0
120.08838	1.5
121.02861	3.1
121.06503	2.3
121.10136	31.7
123.08107	1.2
123.11697	76.3
127.05855	2.7
129.07005	4.6
130.07770	6.5
131.04916	2.1
131.08556	54.7
133.10120	46.5
135.08032	6.8
135.11700	8.5
143.08539	8.8
144.09314	4.4
145.02780	1.6
145.06483	4.0
145.10114	90.3
146.10655	2.4
147.11674	17.3
149.02319	20.6
149.09555	3.4
149.13205	4.9
157.10056	4.3
158.10887	8.0
158.88016	1.4
159.11688	20.2
160.12419	1.7
161.13295	6.6
163.11172	3.9
163.14848	2.6
169.13997	1.4
172.12416	3.2
173.05972	7.0
173.13251	32.1
175.14810	78.8
176.15129	2.4
177.05455	5.1
177.12727	2.8
177.16382	18.6
184.09428	1.5
187.14799	54.3
205.04916	5.5
205.08612	3.6
205.12151	3.9
205.15862	100.0
205.19522	4.3
206.16135	1.7
207.54376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05515	15.3
56.74018	1.8
57.07077	9.3
60.91541	1.7
65.03924	2.0
67.05500	22.7
69.06734	2.0
69.07069	19.8
70.47980	5.8
79.05496	15.7
79.05894	2.7
81.07056	89.7
83.04976	31.1
83.08614	5.2
91.05478	23.3
93.07044	27.4
95.04955	4.9
95.08605	52.0
97.02912	4.7
97.10182	2.8
105.07030	87.6
106.07314	2.4
107.08587	35.3
109.06492	3.0
109.10144	8.5
111.08121	2.2
115.05358	2.7
117.07025	13.5
119.08581	64.0
121.02836	2.7
121.06510	3.4
121.10136	25.3
123.11698	77.2
127.05910	2.6
130.07758	6.7
131.07605	3.8
131.08559	52.5
133.10117	47.0
135.08058	5.6
135.11653	7.3
137.09615	2.5
143.08551	6.7
144.09315	4.6
145.10121	100.0
146.10843	2.9
147.11674	27.7
149.02373	14.8
149.09615	3.3
149.13257	4.7
157.10114	4.4
158.10902	7.8
159.11699	19.5
160.12350	3.3
161.13254	8.9
163.11278	2.3
163.14731	2.1
168.67757	1.8
172.12477	2.7
173.13243	32.7
175.14824	79.6
176.15150	2.3
177.05470	2.6
177.12569	2.0
177.16399	19.1
187.14810	54.3
205.04938	3.2
205.15869	93.5
206.16193	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03930	3.7
55.01863	2.4
55.05516	19.4
55.86013	1.7
56.86263	2.0
57.03418	3.0
57.07074	18.5
60.04505	2.6
64.70061	1.8
64.86340	1.7
65.03916	5.4
65.82303	1.9
66.35742	1.8
67.05524	11.6
69.03408	7.1
69.07066	34.1
70.87422	4.5
70.87771	1.9
73.31783	2.1
75.82207	1.8
77.45913	2.0
79.05490	20.3
81.03399	4.8
81.07053	22.8
83.04973	6.5
83.08623	14.1
84.04498	3.7
85.02892	3.5
85.04804	2.1
91.05474	25.7
93.03385	2.4
93.06501	2.5
93.07043	43.1
94.02732	1.7
95.04948	3.0
95.08604	43.3
97.02883	8.1
97.06513	3.1
97.10129	3.9
97.24453	1.7
98.03213	3.4
99.06351	2.1
103.05449	4.6
105.06400	3.3
105.07026	38.0
105.25801	2.2
107.04941	5.2
107.08589	91.0
109.02849	3.6
109.06509	3.0
109.09608	1.7
109.10165	20.7
111.04524	2.7
115.05862	1.9
117.06995	24.6
118.06525	2.3
119.08578	69.1
121.02886	15.0
121.06513	14.6
121.10139	76.3
123.08040	6.3
123.11691	6.9
127.03902	2.7
127.05859	4.8
129.07001	6.2
130.07756	5.6
131.04910	4.0
131.08571	27.6
133.10123	52.2
135.04381	2.2
135.08032	7.7
135.10698	3.5
135.11670	25.0
143.08548	11.2
144.09361	3.3
145.02864	2.7
145.06522	4.0
145.10120	91.8
147.07967	2.9
147.11659	22.2
149.02332	61.5
149.05959	3.5
149.09642	12.2
149.13245	17.5
150.02672	2.8
151.84378	1.9
157.10071	5.2
158.10872	6.7
159.08076	2.3
159.11688	25.3
160.12317	3.3
161.09525	2.8
161.13226	10.2
162.10339	2.1
163.07584	2.3
163.11172	65.6
163.14792	8.9
172.12466	5.3
174.13989	3.6
175.14824	76.4
177.05499	13.3
177.12737	8.3
177.16383	36.6
187.11143	3.8
187.14803	53.9
190.05772	5.7
205.05009	17.0
205.08356	10.8
205.12215	12.8
205.14218	7.0
205.15865	100.0
205.19547	14.3
206.16220	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	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.05117	1.9
53.03933	6.3
55.01861	6.8
55.05507	17.6
57.03429	2.7
57.07077	17.3
59.05014	2.4
60.04536	4.1
65.03931	6.0
67.05503	15.4
68.05006	3.7
69.03420	6.1
69.07068	31.4
69.86942	4.7
69.87357	7.3
71.04982	4.2
79.05492	29.5
81.03404	4.0
81.07056	31.0
83.04968	7.8
83.08630	11.5
84.04487	4.5
85.02892	3.7
91.05470	31.3
93.07044	62.6
95.04962	7.5
95.08606	47.0
95.70139	2.1
96.04495	5.4
97.02885	14.4
97.04830	4.9
97.06512	5.8
97.10172	3.4
98.21402	3.1
103.05448	5.5
105.07021	48.7
107.04908	5.3
107.08595	87.6
109.02861	4.4
109.06518	8.9
109.10151	21.6
111.04460	2.7
111.08092	3.1
114.05492	3.3
115.05457	5.9
117.07005	18.2
119.08584	62.7
121.02856	15.3
121.03951	2.1
121.06504	13.0
121.10141	89.7
123.08057	8.2
123.11695	9.0
126.05516	2.5
127.03919	4.4
127.05848	5.9
129.06996	4.0
130.07770	5.4
131.04904	4.4
131.08571	30.8
133.06546	2.7
133.10132	33.3
135.08057	10.1
135.11685	32.0
137.09604	4.3
143.08562	8.3
144.09285	4.8
145.02838	4.3
145.06485	3.7
145.10129	66.2
147.11684	24.7
149.02335	76.7
149.05963	3.7
149.09625	20.1
149.13261	18.7
157.10161	6.5
158.10941	3.9
159.04453	2.7
159.11687	37.9
161.13231	17.4
162.03064	4.9
163.07707	3.7
163.11179	89.3
163.14816	18.0
169.80070	2.2
172.12419	4.4
173.02319	2.9
175.14825	43.5
177.05484	22.0
177.12755	6.4
177.16399	23.7
178.08687	3.1
187.11218	8.1
187.14822	57.6
205.04950	27.1
205.08762	12.0
205.12372	19.9
205.14304	5.8
205.15881	100.0
205.19409	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07090	0.4
65.02522	0.4
70.96021	0.9
71.08522	0.4
74.02444	1.4
79.48083	0.4
91.05469	1.9
92.84493	0.4
96.06812	0.5
96.55439	0.4
97.02887	0.7
103.05471	1.3
105.07053	0.9
107.04949	0.4
110.90025	0.4
111.08358	0.4
115.05426	2.8
117.05772	0.8
117.07010	2.6
118.06539	39.1
119.06830	0.4
121.02846	1.3
130.06512	3.1
131.04974	1.1
131.08478	0.4
132.08089	10.6
142.06532	4.1
143.07315	5.0
144.04446	0.8
144.08090	22.3
145.08411	0.6
146.06007	100.0
147.06358	1.1
149.02345	4.7
159.04391	0.6
159.09180	10.7
160.07584	1.9
168.30156	0.4
170.04677	0.5
170.06017	7.6
171.06496	0.4
177.05470	1.4
188.07063	85.1
189.07382	1.5
205.04932	1.4
205.09740	0.7
205.15959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02370	0.8
53.03939	3.8
55.01874	0.9
55.05503	0.8
57.07073	3.4
60.04512	1.6
61.02912	0.6
61.04854	0.5
63.64898	0.5
65.03931	2.6
67.05489	1.5
67.67790	0.5
69.03419	2.1
69.07059	1.3
69.33763	1.2
69.34171	3.7
71.04980	0.8
73.59091	0.5
75.82068	0.4
77.03936	0.7
79.05485	1.9
81.03400	1.6
81.07054	3.5
83.04967	1.5
84.04494	1.0
85.02895	2.0
85.04820	0.5
85.06571	0.8
91.05474	19.8
93.07039	59.6
93.93822	0.5
95.04960	7.2
95.08609	1.3
96.04502	1.1
97.02890	4.6
97.04809	1.4
98.03188	1.1
98.97548	0.8
99.04462	1.1
103.05473	4.3
105.04511	1.8
105.07032	4.3
107.04932	1.6
107.08586	3.6
109.02851	1.7
109.06512	0.9
109.10137	1.1
111.04430	0.6
114.05500	0.5
115.05373	1.3
116.06246	0.7
116.98587	0.8
117.07033	3.9
117.10755	0.5
118.06532	2.8
119.04929	0.5
119.08549	3.2
120.08110	1.2
121.02883	4.4
121.06499	100.0
121.10143	1.8
121.92390	0.5
122.06851	1.0
123.04355	0.6
126.05465	0.5
127.03867	0.9
127.05823	1.0
129.07005	0.9
130.06522	2.2
130.07796	0.7
131.04926	2.2
131.08574	3.5
132.08066	1.0
133.06563	0.6
133.10126	1.3
134.03722	0.6
135.04407	1.0
135.08060	2.1
135.11674	1.5
144.05721	0.7
144.08133	0.5
144.09323	1.4
145.06468	3.1
145.10118	3.3
146.06021	2.3
147.04361	0.7
147.08015	1.4
149.02330	22.8
149.05974	2.1
149.09657	1.3
149.13275	0.6
151.11147	0.5
157.10103	0.5
159.04384	1.0
159.08102	1.5
159.11685	5.2
160.07539	1.1
161.05960	1.1
161.09563	0.9
162.03102	0.9
162.10335	0.5
163.03889	0.7
163.07521	0.5
163.11185	2.2
169.06943	0.8
170.05917	0.9
172.08791	0.6
173.05984	0.7
175.07573	0.5
177.05498	7.3
177.09117	1.0
177.12738	2.1
178.08615	0.5
187.03931	0.6
187.07628	1.1
187.11133	2.3
188.07086	2.2
205.04941	6.9
205.06888	0.9
205.08870	4.2
205.12228	15.9
205.13942	1.1
205.15720	3.1
206.08160	1.5
224.37726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0865
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
53.03923	3.1
55.01853	3.9
55.05489	1.4
56.05021	4.2
57.03406	3.4
59.05485	1.0
60.04231	2.1
60.04522	33.3
61.02919	5.7
62.23433	1.0
68.05032	8.1
69.03426	55.6
70.02953	1.3
70.16541	1.0
70.63705	1.9
71.01346	1.5
71.04978	3.8
72.04510	16.9
73.02898	3.2
80.04999	2.0
81.03412	16.1
83.01322	1.1
83.04963	1.9
84.04503	37.4
85.02900	28.0
88.04014	1.2
91.05505	1.6
93.50058	1.0
96.04485	19.1
97.02885	51.1
98.06049	8.1
99.03956	1.1
99.04462	13.7
100.03991	1.4
102.05544	1.3
103.03924	1.7
108.04504	1.2
109.02879	5.7
110.06038	2.8
112.03952	20.0
114.05541	10.7
115.03930	1.3
126.05510	100.0
127.03918	10.8
127.05855	1.3
131.04889	0.9
138.05478	4.5
144.05524	1.8
144.06557	17.6
145.04973	3.9
145.10164	1.4
149.02316	2.8
156.06529	1.8
158.06041	1.3
159.04463	1.5
162.07529	7.4
168.06544	3.3
176.15504	1.1
186.07617	24.4
187.03812	1.6
204.08670	97.3
204.13800	8.3
205.04947	1.5
205.08786	2.4
205.12212	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	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01857	1.3
55.05514	1.4
56.05021	2.1
60.04523	8.8
60.43182	0.6
61.02912	3.0
62.69314	0.7
67.05497	0.9
68.05029	7.6
69.03433	5.0
69.07065	1.0
70.06583	2.3
70.73843	2.2
71.04988	1.4
72.04503	1.9
78.72184	0.7
80.05006	2.7
81.03417	5.1
81.07035	2.1
82.06549	0.7
82.07370	1.0
83.01325	1.6
83.04968	0.9
84.04507	35.5
85.02892	3.0
91.05462	1.7
92.05842	1.3
93.07024	1.1
94.07375	1.2
95.08591	2.5
96.04491	29.2
96.08939	2.0
97.02306	1.3
97.02894	16.1
98.02393	0.7
98.06054	10.2
99.04453	2.8
101.02410	0.9
105.07026	2.3
106.07362	2.6
107.08577	1.4
108.04458	0.8
108.08923	0.9
109.02861	7.5
109.10149	0.9
110.06014	2.2
110.10477	1.8
114.05527	9.2
119.08582	2.9
120.08904	2.9
121.10132	1.4
122.06023	0.8
122.10466	0.8
124.03968	0.7
126.05518	45.1
127.03926	3.1
133.10083	2.0
134.10434	3.7
138.05498	100.0
139.05888	1.7
140.06999	0.8
144.06555	28.5
145.10030	0.8
147.11699	2.5
148.12033	6.5
149.02336	2.6
156.06609	0.9
162.07529	0.9
162.13612	1.6
165.58357	0.7
168.05209	1.1
168.06543	11.0
171.65433	0.7
176.15063	0.9
177.05519	1.0
186.07573	5.9
189.11548	0.9
204.08679	11.4
204.13837	6.8
204.18314	12.9
205.08635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	1.2
55.05507	10.1
57.07072	6.4
60.04507	1.6
64.66678	0.7
65.03934	0.9
65.23335	0.7
67.05140	0.9
67.05500	17.8
68.05016	1.1
69.03407	1.3
69.07065	12.0
70.05151	1.4
70.05565	2.1
71.04995	0.6
71.08616	0.6
79.05486	6.8
81.07056	25.2
83.08614	5.0
84.04477	3.5
85.02955	0.6
91.05473	14.6
93.07042	15.5
95.04932	1.1
95.08603	59.5
96.04490	3.1
96.08933	0.9
97.02882	2.7
97.10174	2.0
103.05444	0.9
105.07027	51.0
106.07340	1.1
107.08585	27.9
109.06497	1.1
109.10151	38.5
110.06001	0.8
114.05505	2.6
115.05407	1.4
116.06248	0.9
117.06979	4.4
119.08575	53.5
120.08943	1.1
121.10136	15.8
123.11715	8.4
126.05494	5.5
128.06183	1.4
129.06970	0.8
130.07784	0.9
131.08566	5.0
131.17430	0.6
133.10121	42.9
135.11705	4.3
142.07851	0.8
143.08556	2.7
144.06557	1.1
145.06416	0.7
145.10107	11.3
147.04358	1.3
147.11681	73.7
148.12019	1.3
148.72154	0.6
157.10114	2.5
159.11723	5.7
160.05156	1.7
160.08833	0.8
160.12447	6.6
161.05930	1.0
161.09599	1.1
161.13249	33.0
168.06577	1.1
170.10913	1.1
171.08061	1.0
171.29543	0.7
172.03880	1.0
173.13284	1.9
174.14005	1.2
175.03880	1.2
175.07558	2.3
175.14825	6.9
185.13194	1.1
186.07564	0.8
188.08290	0.8
188.15601	1.5
203.03363	1.3
203.06998	4.5
203.10678	3.9
203.14291	5.6
203.17947	100.0
204.08740	4.5
204.13814	1.3
204.18253	2.6
211.30846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03937	1.1
54.02569	0.8
55.05508	7.7
57.07058	1.7
65.19121	0.8
67.05501	14.5
69.07064	19.2
71.11864	2.2
74.58943	0.7
77.03915	0.7
79.05485	8.8
81.07049	33.3
83.08596	2.4
91.05470	17.9
93.07045	14.8
95.08601	42.6
105.07022	52.2
107.08590	23.9
107.09309	1.5
109.06466	0.8
109.10148	30.4
117.07004	2.5
119.08573	52.6
121.10139	18.0
123.11695	8.4
127.94298	0.7
131.08551	4.2
133.10120	42.6
134.10449	1.0
135.11674	4.3
145.10104	7.5
147.11676	83.1
159.11662	3.2
160.12444	8.3
161.11832	1.0
161.13237	29.0
175.14818	5.7
203.17938	100.0
204.18230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.07782	0.8
50.28104	0.7
50.68107	0.7
53.03932	1.2
55.05510	9.1
57.07066	5.0
67.05190	1.3
67.05506	18.1
69.06738	1.1
69.07066	16.2
70.67922	1.1
70.68271	2.3
71.08639	0.8
75.19238	0.9
79.05487	8.4
81.07051	30.6
83.08638	4.4
91.05473	21.4
93.06491	1.2
93.07039	13.1
95.04967	1.0
95.08600	42.6
96.04543	1.0
97.10136	1.4
102.57643	0.8
103.05444	1.3
105.07023	100.0
106.07333	1.2
107.08586	20.7
109.10148	33.2
110.10500	0.9
114.59916	0.8
115.05472	1.0
117.07039	2.2
118.07753	0.8
119.08571	45.6
121.10128	17.2
123.11684	5.2
126.05472	1.3
128.06206	0.8
131.08545	4.1
132.09270	0.8
133.10123	44.8
134.14424	0.8
135.11646	4.0
135.31270	0.8
145.10101	5.8
147.11681	74.4
148.12077	1.5
157.27803	0.8
159.03865	1.5
159.11691	2.5
160.12437	3.0
161.13252	24.0
165.82608	0.8
174.14079	0.9
174.98120	0.8
175.14821	11.1
188.44821	0.9
189.04854	0.9
192.68362	0.9
203.17941	77.7
204.18323	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.90031	1.1
52.99206	1.1
53.03955	1.7
55.05494	4.8
62.53583	1.1
65.03946	1.3
67.05502	32.4
69.07067	9.7
69.45638	5.0
69.46064	3.8
70.85021	1.4
79.05477	12.0
81.06595	2.1
81.07051	26.8
83.08630	1.3
84.04471	1.5
85.35300	1.1
91.05477	23.7
93.07041	20.3
95.04951	1.2
95.08601	100.0
97.10165	1.3
98.21618	1.2
98.52258	1.1
105.07021	39.4
107.08586	94.2
109.06553	1.5
109.10150	38.0
117.07031	1.2
119.08578	29.4
121.10134	17.1
123.11697	4.2
131.08530	2.0
133.10121	23.4
135.11670	3.4
145.10135	2.1
147.11674	79.9
161.13237	12.2
175.07617	1.4
175.14810	6.1
185.13260	1.2
203.07097	2.0
203.17943	98.5
204.18225	1.6
222.68503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.63217	1.3
52.63463	1.3
53.03954	1.6
54.03163	1.3
55.05505	12.0
57.07078	3.4
60.04504	2.0
67.05501	28.2
68.05021	3.1
69.07072	16.8
79.05490	11.1
81.07050	29.8
83.08606	5.4
84.04498	3.0
91.05473	32.3
93.07036	17.2
95.08602	52.4
96.04447	2.8
97.02889	3.8
97.10144	1.7
101.16476	1.3
105.07021	66.0
107.08585	29.5
109.09391	2.7
109.10149	49.8
114.05495	3.0
117.07011	4.5
119.08574	66.5
121.10139	25.6
123.11681	7.7
126.05513	5.8
130.53075	1.3
130.71071	1.2
131.08591	7.3
131.09430	1.1
132.94926	1.4
133.10114	50.0
135.11676	5.4
143.08623	1.7
145.10104	8.1
147.11678	97.4
148.12029	1.8
149.53651	1.4
159.11681	4.8
160.12489	2.5
161.13243	23.4
173.13225	2.0
175.14830	6.8
177.55348	1.3
203.10529	2.1
203.14447	6.2
203.17944	100.0
204.08624	3.6
204.18318	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.07450	1.0
53.03939	1.1
55.05508	10.1
57.07067	2.7
57.49992	0.8
65.03935	1.5
67.05502	20.0
69.07062	9.9
70.56968	3.6
74.00755	0.8
74.94781	1.0
79.05491	11.8
81.07051	27.3
82.06347	0.9
82.06889	0.8
83.08599	3.7
91.05482	18.8
93.06490	1.6
93.07046	26.1
95.04984	1.2
95.08606	52.7
96.04473	1.2
97.10144	2.1
103.05470	1.0
105.07029	73.0
106.07322	1.2
107.07883	1.7
107.08585	26.5
109.10150	32.3
117.07011	2.3
119.08581	57.3
119.96283	0.8
121.10143	33.2
123.11704	5.8
131.08536	5.5
133.10124	48.2
134.10535	1.0
135.11682	4.0
145.10094	7.7
146.10844	1.7
147.11684	100.0
148.12091	3.6
159.11668	3.1
160.12457	3.6
161.13257	18.7
163.59319	0.9
174.13994	1.1
175.14812	6.5
181.80728	1.0
203.17949	93.4
204.18262	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03954	1.0
53.13170	0.8
53.99855	0.7
55.05496	2.3
57.07076	4.0
65.03909	0.8
67.05501	8.6
69.06730	0.9
69.07068	9.0
69.36686	2.7
69.37112	4.5
71.08622	1.1
79.05494	10.6
81.07053	14.0
83.08595	2.2
91.05480	15.8
93.07040	23.0
95.04956	1.0
95.08605	19.2
103.05427	1.5
105.07027	27.1
107.08588	32.2
109.10142	5.2
115.05464	2.6
116.06248	1.5
117.07012	19.8
119.08572	22.0
121.10131	10.7
128.06252	1.9
129.06967	4.5
130.07785	6.7
131.08563	41.4
132.09375	0.8
133.10120	12.1
142.07765	1.2
143.08571	6.0
144.09337	7.0
145.10114	82.8
146.10777	2.8
147.11711	1.9
155.08563	1.0
157.10123	4.8
158.10826	2.5
159.11687	61.9
171.11664	3.4
172.12483	2.2
173.06067	1.2
173.13251	18.1
186.14061	1.4
199.14824	1.1
201.05478	1.7
201.12675	2.8
201.16373	100.0
202.16667	3.1
202.21640	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	201.1636
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.03942	0.6
54.49632	0.5
55.05503	1.9
57.07080	3.6
65.03944	0.6
67.05503	6.5
69.07063	5.8
69.85659	0.6
70.87364	0.6
70.87685	0.9
71.08627	3.4
79.05485	6.6
81.03416	0.5
81.07054	11.4
83.08613	0.8
91.05474	10.5
93.07047	11.3
95.04962	0.9
95.08601	12.2
100.85310	0.6
103.05434	1.1
105.07023	24.6
107.08588	13.8
109.10160	5.3
115.05450	2.1
116.06226	1.4
117.07015	13.1
119.08576	13.6
121.10149	7.6
128.06203	1.4
129.07005	4.1
130.07776	6.0
131.08560	32.2
133.10127	6.4
142.07744	0.7
143.08557	6.4
144.09357	5.4
145.10115	100.0
146.10730	2.0
147.08078	0.5
147.11641	1.0
155.08488	0.9
157.10110	3.9
158.10922	3.8
159.11685	47.7
160.12013	1.2
160.42824	0.6
171.11690	2.3
172.12439	1.2
173.05968	0.6
173.09647	0.7
173.13260	13.1
183.11679	0.7
186.14049	2.1
199.14848	0.6
201.05420	1.5
201.09090	1.7
201.12682	1.9
201.16370	66.3
202.16705	2.1
223.47839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.81873	0.8
53.03934	0.9
55.01865	0.7
55.05499	2.9
57.07055	3.1
65.03942	1.4
67.01476	0.8
67.05512	7.8
69.07069	8.8
69.23994	4.6
69.24418	2.5
71.08617	2.7
79.05495	7.8
81.07056	14.1
83.08602	1.3
91.05479	13.9
92.56683	0.8
93.06489	1.3
93.07040	16.3
95.04975	1.3
95.08599	15.5
105.07029	29.8
107.08585	16.9
109.10136	5.5
115.05456	1.9
116.06232	1.9
117.07015	18.1
119.08575	25.5
121.10131	10.4
126.89000	0.7
128.06180	2.6
129.07021	4.6
130.07777	8.2
131.08556	40.8
133.10112	9.4
141.06953	0.8
142.07692	0.9
143.08565	7.8
144.09384	7.0
145.06444	2.5
145.10114	100.0
146.10556	2.7
147.11653	2.0
155.08533	0.9
156.60542	0.7
157.10078	5.4
158.10916	6.9
159.11687	63.2
160.12051	1.4
171.11684	2.5
172.12413	2.3
173.05984	5.1
173.09587	1.4
173.13257	19.6
183.11676	0.9
186.14015	2.5
190.32956	0.8
201.05475	6.1
201.09163	4.0
201.16370	86.9
202.16660	3.0
212.88480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.00291	0.2
55.05515	0.6
57.07076	4.6
57.16396	0.2
57.22070	0.2
58.23590	0.2
58.79361	0.2
67.05501	1.2
69.07056	0.9
69.22580	2.5
71.08629	5.5
75.07940	0.2
79.05484	1.1
81.07048	1.6
85.31717	0.2
91.05464	3.2
93.07050	1.1
95.08611	1.9
96.36729	0.2
98.20803	0.4
103.05427	0.4
105.07029	11.0
107.08598	2.1
109.00267	0.2
109.10168	0.8
115.05475	0.9
116.06232	0.6
117.07012	5.8
118.96744	0.5
119.08593	2.6
121.10126	0.7
128.06229	0.8
129.06996	2.1
130.07790	6.2
131.08568	14.5
133.10121	1.5
133.10948	0.2
134.60295	0.2
142.07753	0.5
143.08554	3.8
144.09363	2.1
145.10120	100.0
146.10423	2.7
157.10141	1.9
158.10930	0.6
159.11688	24.8
160.12051	0.5
171.11684	0.6
172.12437	0.5
173.13284	2.6
177.98114	0.3
186.10320	0.3
186.14021	0.6
201.09151	0.3
201.12686	0.8
201.16377	18.8
201.20316	1.1
202.16693	0.8
215.56909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39939	1.2
53.03938	2.2
55.01865	5.1
55.05507	3.0
56.05024	4.2
56.96564	45.2
57.03435	8.5
57.07064	1.3
57.97359	1.2
60.65026	1.1
61.02926	6.7
65.03950	1.3
67.05493	2.2
69.03422	10.8
69.07071	3.1
70.06583	5.2
70.71363	3.6
71.01347	2.4
71.95260	3.2
73.02928	16.2
74.09703	4.8
74.97606	1.6
79.01854	2.3
79.05489	1.8
81.03410	5.7
81.07043	1.8
82.06589	7.3
83.06116	2.0
83.08595	1.5
84.04498	2.1
84.08147	2.6
84.96017	3.2
85.02901	15.5
86.03162	1.4
86.06021	1.5
87.04456	2.7
88.94575	1.1
91.05492	6.8
95.04960	2.8
97.02883	14.8
97.06523	1.4
97.99214	1.5
98.01298	2.4
98.97579	100.0
99.04498	2.2
99.97931	1.8
100.02488	2.0
100.07619	2.4
101.00860	2.2
104.01282	3.3
107.08580	1.5
108.08152	2.4
109.02863	3.3
110.01273	4.5
110.06008	1.3
110.07140	1.2
110.45344	1.1
110.97575	4.8
111.04416	3.0
113.00797	1.8
113.07126	5.3
114.06622	2.2
116.00156	1.7
116.01299	3.1
116.98616	99.7
118.03543	2.4
118.96764	2.7
119.01883	19.2
119.04939	5.8
120.01989	1.4
120.03270	1.7
120.05232	1.2
121.01659	2.8
122.03644	2.0
125.01740	1.6
127.03930	5.4
127.52484	1.8
128.02319	4.5
128.07079	5.7
128.98589	10.2
130.03575	2.0
131.01823	7.1
132.05080	1.7
133.01627	2.0
133.03482	2.0
134.02249	1.7
134.99654	89.7
135.03214	1.4
136.04582	1.7
136.07564	3.9
137.01976	1.3
137.02985	8.0
137.05968	13.2
137.07866	1.8
138.03001	1.7
140.00203	3.3
140.02281	4.1
141.05051	1.5
142.03488	1.9
143.00166	2.5
143.01877	4.2
143.03476	2.2
145.01712	3.1
145.03409	2.1
146.02264	3.4
146.99637	9.6
147.04390	10.2
148.04710	1.8
149.01176	2.1
149.02916	3.1
152.02348	2.3
153.00697	22.0
153.01845	11.6
153.02983	2.1
153.96759	2.2
154.02135	1.6
154.08607	3.9
154.12247	4.0
155.02843	2.4
157.54240	1.5
158.01236	10.2
158.99657	6.4
159.04889	1.4
161.01236	3.5
161.02917	13.6
162.03093	2.8
163.02641	6.9
165.00644	1.5
168.03683	3.9
170.03323	2.2
170.99582	3.0
172.04102	1.3
173.01245	2.0
173.02866	1.8
174.06128	2.4
175.54167	1.7
176.02255	4.3
176.04120	4.8
176.98332	2.7
177.00677	15.8
177.02165	1.9
177.04099	7.1
177.98056	1.6
179.07053	1.5
182.04578	2.7
182.08131	3.1
183.08482	7.1
189.00682	9.8
191.02388	3.0
191.03935	3.5
195.01720	5.1
195.03355	2.0
195.05074	2.1
199.18881	13.3
200.04190	4.6
200.07393	1.8
200.09123	3.6
200.10710	2.8
200.12796	4.4
200.14372	1.7
200.19040	2.0
201.00723	4.9
201.08713	2.9
218.05188	2.6
219.01788	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	199.1481
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
55.01851	0.5
55.05511	6.9
56.05843	0.8
57.07064	1.0
66.30513	0.4
67.05490	1.2
69.07059	3.6
70.01822	0.5
70.66605	1.5
71.04999	0.9
71.96806	0.5
72.04509	0.7
74.09718	3.6
79.05492	1.9
81.07056	1.5
83.04971	0.6
83.08604	1.2
85.06547	0.7
91.05479	3.4
93.07037	4.2
95.04964	1.9
95.08627	1.0
97.10201	0.7
100.07610	1.0
105.07016	4.4
107.08585	2.2
108.27060	0.6
109.10198	0.7
111.04439	2.1
111.49550	0.5
115.05457	1.5
116.97215	0.9
117.07030	0.9
119.08588	8.2
121.10174	0.6
125.02387	0.7
128.06232	5.1
129.07008	10.0
131.08554	1.3
135.08101	0.7
139.03870	0.9
140.04697	2.6
141.07010	4.0
142.07776	26.3
143.08565	29.6
144.09387	4.4
145.06476	0.7
145.10129	8.5
153.06982	0.6
154.69603	0.6
155.08539	5.7
156.08081	0.9
156.09340	14.8
157.10126	69.5
158.10695	2.2
169.10118	6.7
169.69200	0.6
170.10913	8.3
171.08029	0.9
171.11678	20.4
175.98489	1.2
179.74246	0.6
181.04945	1.2
184.12473	8.1
199.04044	0.8
199.05870	1.1
199.07527	2.2
199.11328	2.6
199.14819	100.0
199.18820	17.7
200.15192	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	199.0601
Annotation	3-(3,4-Dihydroxyphenyl)lactate
Peak:m/z	Relative Intensity
53.03900	0.3
55.01825	0.2
55.05448	0.9
56.05811	0.2
56.96545	0.2
57.07033	0.4
63.01504	0.1
65.03917	0.7
67.05438	0.4
68.99745	0.3
69.03358	0.6
69.06982	0.7
70.07330	0.2
71.50916	0.1
71.51324	0.2
72.04470	0.2
74.09643	0.9
74.56081	0.2
79.05424	0.6
80.02569	0.5
80.03011	0.1
81.03355	0.5
81.07002	0.4
82.04136	0.2
83.04929	0.4
83.08537	0.4
91.05434	0.4
93.03339	0.6
93.06957	0.4
94.04097	0.3
95.01278	0.5
95.04964	3.2
95.08546	0.2
96.33248	0.1
97.06457	0.4
100.07557	0.3
105.07037	1.1
107.08542	0.5
108.02045	0.3
109.02825	0.3
110.03645	0.2
111.04429	1.5
116.97153	0.5
117.06985	0.2
119.08513	0.6
121.02794	0.4
121.10049	0.2
122.03588	0.3
123.04414	0.9
125.02399	0.2
125.05984	1.5
128.06209	0.9
129.07019	0.8
131.08585	0.2
131.99461	0.2
137.02338	0.2
138.03111	4.9
139.03868	0.3
140.04657	0.5
141.05383	0.4
141.06985	0.3
142.07779	1.3
143.07524	0.2
143.08551	2.5
145.10089	0.2
146.88646	0.2
149.02364	0.2
151.03893	1.0
152.09662	0.2
153.05421	0.8
153.06734	0.2
155.03328	0.2
155.07141	0.2
155.08508	0.5
156.09328	0.9
157.06479	0.2
157.10132	3.7
166.02603	4.1
169.10161	0.3
170.10919	0.4
171.07982	0.3
171.11687	1.4
175.98566	0.3
181.04944	100.0
182.05309	2.4
184.03662	3.3
184.08893	0.3
184.12531	0.4
199.05994	3.3
199.07576	0.3
199.11174	0.9
199.14841	4.6
199.18871	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	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50630	0.2
51.02368	0.4
53.03943	3.7
53.64738	0.2
55.01860	1.7
55.05504	1.5
56.65149	0.2
57.07051	0.6
57.09118	0.2
59.06098	0.5
65.03936	3.3
67.05193	0.2
67.05495	2.9
68.99752	0.3
69.03403	0.6
69.07066	1.4
70.07382	0.4
71.04975	0.2
72.04485	0.7
72.08123	0.3
74.09714	2.8
75.94583	0.3
77.03908	0.8
79.01863	0.2
79.05492	1.7
81.03413	1.3
81.07065	1.1
82.04173	0.5
83.04953	0.5
83.06072	0.4
83.08599	0.6
84.08129	0.2
84.08929	0.4
85.02888	0.5
86.06074	0.3
91.05479	2.5
93.03387	1.1
93.07044	3.6
95.04962	25.0
95.08607	0.2
96.05306	0.3
97.02878	2.8
97.06503	0.8
98.97564	0.6
99.04434	0.3
100.07601	1.0
100.11240	0.4
103.05445	0.8
105.03362	0.3
105.04513	1.8
105.07015	0.4
107.04948	0.6
107.08574	0.7
108.02084	0.4
109.02886	0.5
109.06494	0.4
109.07610	0.3
109.10143	0.3
110.03651	1.8
111.04433	3.9
111.08073	0.7
115.05474	0.3
116.97218	3.3
116.98587	0.5
119.08512	0.3
120.02061	0.6
121.02863	1.9
121.06489	3.3
121.10184	0.2
123.04422	13.0
123.08047	0.7
123.09101	0.2
125.02345	13.8
125.05956	0.7
128.06213	0.8
131.99536	0.8
132.54276	0.2
134.99629	0.6
135.08047	0.9
135.11652	0.4
136.07564	0.5
137.02321	0.5
137.05975	0.4
138.03105	0.5
139.03857	1.2
139.07527	1.4
140.04672	100.0
141.05022	1.7
143.08586	0.7
148.96162	0.5
149.02327	0.7
149.05937	0.7
151.03880	0.3
152.96912	0.8
153.05484	0.9
153.06880	0.4
153.08987	0.3
155.07022	12.3
156.09320	0.4
157.10028	0.3
161.02988	0.5
163.07481	0.5
164.07010	0.4
166.02583	0.8
166.06258	0.7
167.03375	1.9
167.07034	4.6
170.97978	0.2
171.08052	0.5
171.11737	0.5
173.08084	1.9
175.98534	2.2
181.04962	6.2
181.06490	0.5
181.08548	3.9
181.09941	0.3
182.08028	1.6
184.03595	0.3
193.65498	0.2
199.03947	0.8
199.05986	1.5
199.07268	1.1
199.11269	0.5
199.14816	0.7
199.18889	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	199.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
56.05034	12.3
56.96566	8.0
57.04554	2.5
57.07068	1.8
57.93560	4.3
58.06579	1.4
58.99860	1.8
59.06112	1.4
60.04522	1.1
63.28115	0.9
67.04242	0.8
67.05501	1.2
69.03435	1.4
69.07064	3.1
70.06596	1.4
70.07423	0.8
70.34338	2.9
71.04994	1.4
71.95267	1.0
72.04514	3.3
74.09725	7.9
75.94607	2.7
79.05451	1.0
81.03400	1.1
81.04531	1.3
81.07069	1.0
83.08616	2.3
84.08944	0.8
85.06537	0.8
91.15219	0.9
93.07066	0.8
93.95682	1.4
95.04977	1.2
95.08616	1.3
97.02839	0.9
97.06541	0.9
97.69777	0.8
98.96179	0.9
98.97582	30.2
99.04479	2.3
99.05583	6.1
100.02471	5.8
100.07627	2.7
101.00869	5.2
103.00641	1.0
111.04433	5.3
116.00211	1.6
116.01955	13.9
116.97234	30.9
116.98595	28.7
118.03517	27.7
119.01923	38.6
119.03674	1.5
120.02031	2.8
120.03222	1.0
121.01681	3.6
125.02333	1.0
130.03467	4.2
131.01907	1.9
131.99580	7.9
132.05084	3.4
133.04622	1.4
134.02988	100.0
134.95877	2.0
134.99654	25.4
135.03119	2.9
136.04543	28.9
137.02953	20.7
137.04591	1.9
138.03093	1.2
139.02707	3.0
139.03613	1.8
139.98790	1.4
140.04706	2.1
141.05124	1.3
142.03505	4.7
148.01472	1.2
148.04556	1.2
148.96159	4.1
150.06128	3.5
152.04047	24.9
152.05945	2.8
152.96938	8.3
153.00735	7.2
154.03476	1.0
155.06940	1.2
156.97546	2.0
157.03450	1.9
157.04594	25.0
157.10080	1.1
157.97496	1.9
158.01326	3.0
158.03006	8.6
158.04306	1.1
158.04744	1.3
159.06190	1.9
160.04552	6.1
161.02933	3.5
164.04095	1.0
170.98013	2.5
171.05055	1.7
172.04585	5.8
173.07806	1.5
174.06174	2.4
174.98613	3.5
175.04105	4.0
175.05652	28.6
175.98535	21.8
176.02383	3.7
176.04070	30.5
176.05859	10.2
177.00952	6.1
178.05655	3.9
180.06204	2.0
181.04831	4.6
189.06049	1.5
190.05609	2.9
192.98741	0.9
193.06714	12.0
194.05119	13.1
194.06906	3.8
198.07259	1.3
199.00246	2.7
199.04088	2.3
199.05702	15.1
199.11880	1.7
199.14865	1.7
199.18884	39.5
200.04077	2.7
217.05101	3.1
217.06927	10.6
218.05045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03940	0.9
55.01882	1.0
55.05506	2.0
64.73177	0.7
67.05502	2.9
69.39977	6.4
69.40370	1.3
73.02908	1.0
73.39384	0.7
79.05489	7.8
81.07055	6.4
86.01816	0.8
91.05476	18.1
93.06480	1.4
93.07037	17.3
95.04967	1.4
95.08597	3.6
97.06550	1.2
105.06329	1.3
105.07031	32.7
107.08588	100.0
108.08898	1.4
109.06487	5.4
109.10139	4.1
117.07014	1.3
118.07755	1.1
119.04928	2.4
119.08578	12.2
121.06475	2.8
121.10139	13.5
123.04427	0.9
123.08051	2.0
123.11683	2.2
125.09650	1.4
131.08586	2.4
133.06540	1.5
133.10126	57.1
135.11688	2.1
137.05942	3.2
137.09598	3.5
139.07500	2.9
143.08528	2.4
146.07178	1.2
149.09633	8.1
150.96906	1.0
151.07515	2.2
151.11186	15.4
161.09610	14.5
167.10669	20.1
179.10664	30.7
179.12222	1.7
197.11720	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03936	1.8
55.01853	1.1
55.05502	2.5
55.35996	0.8
57.03428	1.4
57.07066	2.1
59.04990	3.5
65.03920	1.3
67.05493	6.5
69.03429	1.9
69.07064	1.7
69.27781	8.0
70.95846	2.2
72.93755	1.0
73.02898	0.9
77.20559	1.1
79.05479	7.3
81.07050	7.0
83.04960	1.6
85.06538	1.0
91.05476	20.3
93.07040	22.8
95.04967	7.7
95.08589	3.2
97.06508	1.5
98.21474	2.1
102.39423	1.0
103.05428	1.1
105.07024	28.1
107.04932	1.1
107.08591	64.8
109.06509	6.4
109.10171	6.8
111.98473	1.6
113.06033	1.2
113.08263	1.4
115.05439	1.0
117.07001	1.3
118.07831	1.3
119.04926	2.3
119.08572	9.5
121.06503	6.4
121.10149	1.6
123.04400	4.1
123.08060	2.0
123.11691	3.9
128.06056	1.2
131.08514	3.2
132.95833	2.3
133.10123	70.2
135.08052	1.8
135.11684	56.0
136.12018	1.1
137.05992	5.2
137.09558	5.7
141.06943	1.4
146.07253	2.2
150.96866	5.5
151.03902	3.3
151.11165	7.1
155.97395	2.4
161.09612	34.9
165.05548	1.0
167.86192	0.9
169.06390	1.1
173.98471	2.8
179.10663	100.0
180.11061	1.5
197.06004	5.5
197.11720	73.7
198.18594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03933	3.0
55.05497	3.7
56.85207	1.3
59.04981	2.8
65.03918	2.0
67.05507	7.9
69.03424	2.9
69.07059	2.0
70.82565	3.1
70.82918	1.6
70.92074	1.2
70.95862	3.1
72.93774	3.5
73.02926	1.4
79.05502	6.6
79.38966	1.1
81.07043	7.8
81.58592	1.2
83.04978	2.0
85.06564	1.4
91.05473	23.2
93.06488	2.1
93.07040	28.4
95.04963	7.8
95.08586	5.0
98.97594	1.3
99.04460	1.7
105.04485	1.4
105.07030	30.4
107.04926	2.0
107.08590	72.5
109.06518	11.2
109.10151	7.4
111.04486	1.5
111.08032	1.4
111.98449	2.3
113.06037	1.6
113.08254	3.1
117.07028	2.2
119.04932	4.0
119.08575	11.5
120.80681	1.4
121.06536	6.1
121.10141	2.1
123.04389	3.5
123.08143	1.6
123.11708	3.7
125.05962	3.8
125.09634	2.0
127.03951	1.6
129.99489	2.1
131.08562	3.8
132.65501	1.3
132.95810	5.2
133.02852	1.7
133.10127	75.8
135.08090	3.0
135.11687	54.6
137.05997	11.0
137.09612	4.2
143.08609	1.3
150.96873	9.9
151.03972	6.9
151.07553	1.7
151.11145	7.5
155.97420	2.7
161.08322	2.5
161.09619	37.7
165.05507	2.4
173.98547	7.3
173.99867	1.6
179.10664	100.0
181.51672	1.4
197.11720	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.01587	0.3
51.02369	0.2
52.03171	0.3
53.03934	0.6
55.01869	2.7
55.05496	0.9
56.45384	0.2
57.03441	0.4
59.05001	0.3
59.63297	0.2
63.51064	0.2
63.60542	0.2
65.03934	2.1
67.05497	3.2
68.30169	0.2
68.99776	0.4
69.03424	0.7
69.07063	0.7
69.68359	1.0
69.68764	0.3
70.95862	2.7
71.01334	0.3
71.04991	0.6
71.06106	0.2
72.33691	0.2
72.93795	1.8
73.02914	19.9
79.05505	1.4
81.03422	0.8
81.07049	2.1
83.04966	0.7
83.06068	0.2
83.08628	0.3
85.02910	0.4
85.06538	0.6
86.09657	0.2
88.96941	0.5
89.03905	0.3
90.26792	0.2
90.94834	0.5
91.03952	0.5
91.05473	4.4
93.03410	0.6
93.07015	1.2
95.01353	0.4
95.04967	2.5
95.06062	0.3
95.08618	1.1
96.05611	0.5
97.06523	0.6
99.04448	1.4
99.30048	0.2
105.03385	0.6
105.04516	0.3
105.07034	2.0
105.82173	0.2
107.04989	0.5
107.08587	3.7
108.02085	1.9
109.02886	0.7
109.06507	2.0
109.10143	1.0
110.03663	2.7
111.04441	2.5
111.08044	0.3
111.98475	2.0
112.01569	0.4
113.08251	2.5
113.96423	0.4
115.05448	0.3
117.03433	0.4
119.04920	2.2
119.08555	1.0
121.06462	0.3
121.10129	0.3
122.03663	0.5
123.04416	0.9
123.08054	0.7
125.05988	13.8
127.03922	0.6
129.99524	1.9
131.97415	0.2
132.95816	3.3
133.02858	0.8
133.10115	3.3
135.08185	0.2
135.11696	1.5
136.01567	0.5
137.05969	3.7
137.08246	0.6
137.09612	1.0
138.06593	0.5
141.05464	3.7
141.06998	0.5
141.09125	0.3
147.04448	0.4
149.05957	2.9
150.96892	7.9
151.03899	100.0
151.04990	8.7
151.07449	3.6
151.11185	0.8
152.04256	1.5
153.05434	0.4
155.09427	1.2
155.97400	2.2
161.08469	0.2
161.09579	1.2
165.05495	1.0
167.08536	0.3
168.97940	0.4
169.06468	0.3
169.10153	0.5
173.98483	5.8
179.07036	16.5
179.10564	3.1
183.02930	0.3
197.00189	0.4
197.04431	0.8
197.06053	0.9
197.08089	5.0
197.10107	0.7
197.11743	2.4
197.13266	0.4
197.15331	0.2
198.18542	0.6
200.03064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03940	0.4
55.01871	2.2
56.38392	0.2
57.74005	0.2
65.03938	1.7
67.05523	2.0
70.81757	0.3
70.82123	0.8
70.95859	0.7
73.02914	20.8
74.13538	0.2
79.05479	0.3
85.02917	0.4
91.05487	2.8
93.03395	1.0
95.01286	0.3
95.04955	1.5
95.08588	0.2
100.94930	0.3
105.06962	0.5
107.04966	0.5
107.08611	0.4
108.02093	1.9
109.02864	0.5
109.06519	0.3
110.03642	2.4
111.04446	1.8
111.98479	0.3
113.08244	0.5
119.04926	1.6
123.04445	0.4
125.05988	14.5
129.99518	0.7
132.95844	0.9
133.10172	0.5
136.01544	0.5
137.05957	1.7
137.09579	0.3
141.05463	4.0
147.04364	0.3
148.89444	0.3
149.05963	2.4
150.96899	2.0
151.03902	100.0
151.04991	8.0
151.07393	2.9
152.04222	1.9
155.97449	0.5
158.95697	0.3
173.98506	1.1
179.07022	17.8
180.07375	0.3
191.19920	0.2
197.08078	5.7
197.11725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
51.02382	1.2
53.00317	1.1
53.03931	2.9
54.03477	0.7
55.01861	3.4
55.05492	2.5
55.93523	1.1
56.05020	0.8
56.70536	0.7
56.96564	4.0
57.03424	2.1
57.07068	1.8
59.04968	0.8
59.06112	1.9
60.04539	0.9
65.03931	4.5
66.04704	0.9
67.05496	4.2
68.05015	1.7
68.99776	1.1
69.03418	3.0
69.07072	1.7
70.06590	1.2
70.95478	1.0
70.95865	18.2
71.04984	1.7
71.06103	2.2
71.22176	0.7
71.70187	0.8
72.93788	8.6
73.02910	2.3
77.03931	6.1
79.05492	15.9
81.03404	3.8
81.04533	2.2
81.07054	12.8
82.02953	0.7
82.06528	0.8
83.04974	1.5
83.06100	2.3
84.04508	1.5
85.02895	1.7
88.96906	4.8
90.94855	3.7
91.05479	53.9
92.05836	0.8
93.03390	0.8
93.07032	4.9
94.04177	8.2
94.40008	0.8
95.01347	4.6
95.04967	12.0
95.06087	2.9
95.08615	3.8
96.05607	2.4
97.02889	3.6
97.06500	1.2
97.07624	1.1
98.87776	0.7
98.97591	4.3
99.04443	1.2
102.08685	0.8
105.03391	29.1
105.04492	1.7
105.07014	6.2
106.98004	0.9
107.04958	9.0
107.08598	9.2
108.02074	1.1
108.95886	0.9
109.02866	1.9
109.06516	34.2
109.10150	1.9
111.04427	1.7
111.08095	1.4
111.98471	12.3
113.08244	13.9
113.96378	2.1
114.62656	0.7
116.98609	2.4
118.04166	0.9
119.04929	13.8
119.08588	1.7
121.06501	1.1
121.10120	1.0
122.03638	12.1
122.07146	1.0
123.04433	5.7
123.08045	1.6
123.11660	0.9
125.05988	3.0
127.03937	4.6
129.99507	11.9
131.97420	1.9
132.95827	19.5
133.02847	100.0
133.10124	8.8
134.03201	0.9
134.99622	1.9
135.04401	5.5
135.11685	6.0
137.02379	1.4
137.05972	83.6
137.08211	6.1
137.09554	1.8
138.06535	1.6
139.03972	1.5
140.08221	1.2
141.05467	1.8
141.06821	0.9
146.99661	1.0
147.04465	3.5
150.00163	0.8
150.96881	55.7
151.03920	11.8
151.05016	1.3
151.07541	2.4
151.97118	0.8
152.07042	1.5
152.08136	0.9
153.01013	1.4
153.05493	4.5
153.06593	0.9
153.08894	1.2
154.06204	1.2
155.09288	7.9
155.97420	16.3
161.09570	3.9
165.05472	39.3
167.07040	2.9
168.97954	2.7
169.04948	1.1
169.06497	0.9
173.98489	35.6
174.00789	1.7
177.00755	1.1
179.03455	2.0
179.06998	2.3
179.09203	4.9
179.10693	9.7
179.11981	0.9
182.02119	2.3
182.05792	1.0
183.02917	2.8
196.91745	1.0
197.00107	2.9
197.04471	6.6
197.06050	1.2
197.08270	5.7
197.10121	4.5
197.11720	7.0
198.07568	1.1
198.18518	3.4
200.03232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	1.1
55.05509	8.3
57.03428	1.7
57.07077	10.2
59.04986	1.1
65.03948	1.4
67.05501	6.2
69.03446	0.9
69.06686	0.9
69.07063	14.8
69.49983	1.3
69.50385	4.5
71.04974	1.8
71.08629	1.1
71.33237	0.7
79.05482	7.4
81.07052	27.9
83.04970	1.3
83.08615	10.6
85.06541	1.3
89.03914	11.5
91.05476	5.2
93.03380	0.7
93.07038	15.1
95.04958	2.5
95.08602	53.5
97.06515	1.1
97.10168	3.0
98.21564	1.4
99.07488	0.9
99.08070	3.3
103.05463	1.5
105.07018	4.1
106.04169	1.1
107.04942	9.1
107.08585	31.3
107.09318	1.6
109.10151	10.7
111.04402	1.2
111.08084	4.5
111.11680	1.0
115.05430	0.9
117.03372	19.4
119.08580	1.6
121.06528	1.8
121.10137	50.3
123.11702	11.0
125.02484	0.7
125.06017	1.4
125.09624	4.1
131.96140	0.7
134.03595	3.8
135.04405	4.0
135.08061	2.0
135.11679	16.0
137.13246	100.0
138.13585	1.3
139.11166	1.9
145.02837	35.9
148.27045	0.7
149.05959	10.9
149.13213	5.5
149.65529	0.7
149.97115	0.8
151.14839	1.2
152.06252	0.9
153.05449	1.9
162.03079	1.2
163.03886	5.7
163.07545	1.7
165.06969	1.3
167.07068	2.1
167.08481	0.9
177.05466	46.0
177.16382	53.6
178.05902	0.8
178.16788	1.5
186.05522	1.0
195.02902	2.6
195.06485	2.0
195.08157	1.4
195.10175	2.1
195.11769	1.3
195.13692	1.6
195.17439	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03951	1.2
55.01883	1.5
55.05508	6.5
57.03441	1.5
57.07078	12.1
58.21958	0.5
65.03934	1.3
67.05502	5.7
69.03431	1.1
69.07066	10.5
70.06570	0.5
70.75774	1.6
71.04998	1.3
71.08636	0.7
77.03910	0.7
79.05482	9.0
81.03428	0.7
81.07056	23.6
83.04975	1.0
83.08621	8.2
85.06547	1.3
89.03923	5.9
91.05478	6.8
93.03424	1.1
93.07044	13.8
95.04973	3.2
95.08606	40.6
97.02911	0.8
97.06552	1.2
97.09505	0.5
97.10132	2.6
98.21382	0.6
99.08062	0.9
103.05464	4.2
105.07024	5.3
106.04170	0.7
107.04956	21.9
107.08588	30.5
108.08914	0.5
108.16120	0.5
109.02866	1.4
109.06524	1.6
109.10159	11.4
111.04434	1.5
111.08089	2.4
111.11657	0.6
115.05463	1.9
117.03378	11.9
117.07021	1.2
118.03687	0.8
119.08597	1.2
120.05761	1.0
120.09532	0.6
121.02921	0.8
121.06512	2.3
121.10141	41.3
123.08076	1.3
123.11705	10.8
124.05168	0.8
125.05990	1.7
125.09635	3.2
131.04944	1.2
131.08598	1.0
131.96138	1.1
133.02859	0.6
133.10083	1.0
134.03607	2.1
135.04405	3.3
135.08051	7.4
135.11693	14.4
137.06012	0.6
137.13254	100.0
138.13641	0.9
139.03979	0.7
139.07654	0.5
139.11169	1.6
145.02847	21.8
145.04013	1.1
145.07526	1.1
146.03236	0.6
147.04443	0.7
149.02336	0.9
149.05988	5.9
149.09644	2.6
149.13240	4.2
149.97198	2.1
151.03851	1.1
151.07536	1.4
151.11221	0.6
151.14783	0.9
152.08511	0.5
153.05489	3.0
154.06216	0.7
163.03917	4.4
163.07533	9.3
165.05420	1.0
165.28151	0.5
167.07043	5.3
167.08452	0.9
177.05476	28.8
177.12929	1.2
177.16385	42.0
178.05737	1.3
178.08679	0.7
178.16660	0.6
180.07834	1.3
195.02876	1.9
195.06483	2.0
195.08301	0.9
195.10162	6.7
195.11723	1.0
195.13768	1.2
195.17441	37.4
196.09772	0.9
196.17769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02377	0.8
53.00312	0.6
53.03944	2.1
55.01872	3.0
55.05505	0.6
57.03446	0.9
63.02377	0.7
65.03928	1.8
67.05509	2.0
68.96320	0.4
69.03075	0.4
69.03427	0.7
69.07067	1.8
70.95644	0.8
77.03934	0.9
78.04713	1.6
79.05492	15.6
81.03417	0.9
81.07065	2.4
83.04997	0.9
89.03919	18.7
91.05482	10.7
91.06029	0.7
93.03416	0.9
93.07046	4.8
94.04196	0.5
95.04968	7.8
95.08616	1.3
97.06526	0.6
103.05467	13.0
105.03394	1.2
105.04521	1.1
105.07030	11.9
106.04170	1.9
106.07334	0.6
107.04955	100.0
107.08580	4.3
108.05296	1.6
109.02879	1.4
109.06505	1.8
109.10178	0.5
110.03638	0.6
111.04455	2.3
111.08084	0.9
115.05459	9.1
116.06279	0.6
117.03378	33.3
117.07018	2.3
119.04942	1.5
119.08536	0.8
120.05733	3.6
121.02788	0.4
121.06506	2.4
121.10137	2.0
122.03615	0.6
123.04439	2.2
123.08066	0.9
124.05216	2.3
125.05987	3.2
130.96344	0.4
131.04956	2.2
131.08591	0.7
133.02850	1.0
133.06496	1.3
133.10143	1.0
134.03638	5.2
135.04433	6.1
135.08052	27.8
135.11703	1.5
135.33655	0.4
136.05093	0.6
137.05977	2.1
139.03896	2.0
139.07578	0.6
140.04701	0.5
145.02844	61.5
145.07588	1.8
146.03180	1.6
147.04419	3.2
148.05159	1.0
148.97394	0.5
149.05981	17.1
149.09630	1.4
149.13260	1.2
149.19894	0.5
151.03862	1.3
151.07558	1.0
152.04672	1.6
153.05472	4.3
154.06241	6.2
159.11615	0.6
162.03131	1.6
162.06810	0.5
163.03926	8.0
163.07547	34.6
164.08165	0.5
165.05501	1.9
167.07042	34.7
168.07510	0.6
177.05467	63.7
177.12662	1.1
178.05835	1.8
180.07813	7.6
186.05504	1.6
190.22510	0.4
190.24310	0.5
195.02934	1.1
195.06470	1.7
195.10170	31.3
195.13861	1.4
196.10600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02385	0.3
53.03937	1.2
53.26671	0.3
55.01866	0.5
55.05498	1.0
57.03426	0.4
57.07071	0.8
63.02357	0.8
65.03933	0.8
67.05497	1.3
69.03419	0.6
69.07059	1.2
69.47286	2.2
71.04980	0.8
78.04720	1.0
79.05486	2.6
81.03419	0.8
81.07041	3.2
83.08628	0.6
89.03912	23.9
89.06023	0.7
91.05473	3.7
92.02654	0.5
93.07051	3.2
95.04958	3.0
95.08591	2.2
97.02879	0.7
97.06528	1.1
97.10187	0.6
99.04422	0.4
103.05472	2.3
105.03371	0.5
105.07038	0.9
106.04134	2.0
107.04945	5.6
107.08593	2.8
108.05752	0.4
109.02850	1.0
109.06524	0.7
109.10138	0.6
110.45125	0.3
111.04433	1.1
113.24751	0.4
117.03371	47.2
118.03725	0.4
119.05006	0.5
119.08569	0.4
121.02844	0.5
121.06484	2.5
121.10139	2.4
122.19387	0.4
123.04440	0.5
124.05203	0.5
125.05988	1.3
125.09606	0.6
131.04919	0.4
134.03622	8.2
135.04408	9.1
135.08038	1.6
135.11684	2.0
137.02336	0.4
137.05975	0.8
137.13245	2.3
139.03899	0.8
139.07446	0.5
145.02835	81.6
146.03197	0.9
149.05971	22.3
149.09666	0.7
149.13248	1.0
150.59137	0.4
151.03891	0.5
152.04669	1.6
153.05423	2.2
155.03319	0.6
158.06032	0.9
159.11696	0.6
162.03072	1.8
163.03894	10.2
163.07565	1.2
165.05589	0.4
165.07022	0.9
167.03438	0.4
167.07036	1.3
167.08464	0.6
177.05457	100.0
177.12755	1.2
177.16330	1.8
178.05878	0.9
180.04216	1.3
180.09271	0.6
186.05481	3.6
186.07013	0.5
195.02895	2.0
195.06516	9.1
195.08163	0.5
195.10168	0.8
195.11670	2.3
195.13802	1.0
195.15703	0.4
195.17424	1.7
195.37784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03935	1.3
55.01863	1.0
55.05505	1.9
57.03419	0.5
57.07063	1.1
63.02357	0.9
65.03930	1.1
67.05492	2.4
68.99795	0.5
69.03435	0.6
69.07069	1.7
70.03796	0.4
71.01339	0.7
71.04990	1.0
71.51613	0.7
77.03908	0.6
78.04716	1.6
79.05483	5.6
81.07040	3.8
83.04964	1.1
83.08617	1.3
85.06552	0.9
89.03912	28.3
89.06041	1.5
91.05476	6.3
93.03408	0.8
93.07029	5.3
95.04948	3.7
95.08600	4.1
96.77415	0.5
97.06531	1.5
99.08086	0.7
103.05453	2.8
105.07014	2.5
106.04165	2.7
107.04948	13.3
107.08575	4.3
109.02866	0.7
109.06499	2.2
109.10159	1.4
111.04418	1.8
111.08073	1.0
111.40619	0.4
115.05485	0.5
117.03372	52.0
117.07009	0.6
118.03664	0.5
119.04990	1.1
119.08558	0.8
120.05733	0.6
121.02848	0.7
121.06474	2.5
121.10131	3.7
123.04426	0.5
123.08075	0.8
123.11672	0.7
124.05202	1.0
124.08350	0.6
125.05962	1.5
125.09671	0.8
131.04958	1.3
131.08542	0.7
133.02847	1.1
133.06490	0.6
133.10130	0.5
134.03635	9.4
135.04404	11.4
135.05438	0.7
135.08046	3.6
135.11679	3.5
137.05956	1.2
137.09579	1.0
137.13249	1.4
139.03853	0.5
139.07550	0.8
145.02834	84.3
146.03261	0.9
147.04431	0.5
148.97354	0.5
149.05972	26.2
149.09613	1.3
149.13248	1.3
151.03955	0.6
151.07478	0.6
153.05487	2.3
153.09048	0.7
154.06233	0.8
158.05946	1.0
159.11667	1.1
162.03116	2.2
163.03886	12.4
163.07561	3.1
165.05550	1.0
165.06914	0.8
167.07037	4.0
167.08363	0.8
177.05455	100.0
177.12701	1.8
177.16371	1.4
178.05786	1.1
180.09236	0.5
186.05490	3.3
195.02835	2.9
195.06570	3.4
195.08360	1.2
195.10147	3.2
195.11745	1.3
195.13808	2.2
195.16220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.34866	0.6
53.03934	1.6
55.01854	1.0
55.05487	3.0
55.19432	0.7
57.03430	0.9
57.07062	3.9
60.96501	0.7
67.05483	3.2
69.07067	5.2
69.58963	3.8
69.59376	1.6
71.04974	1.4
71.30559	0.7
73.35992	0.6
78.04707	1.0
79.05492	4.9
81.07061	8.6
83.04957	0.9
83.08598	3.4
89.03918	26.1
91.05480	5.6
93.07041	7.0
95.04969	3.5
95.08605	14.4
97.06543	1.1
97.10182	0.9
99.08133	0.9
103.05469	3.0
105.07021	2.0
106.04158	2.0
107.04963	9.6
107.08589	8.8
109.02885	1.3
109.06540	1.3
109.10133	4.7
111.04436	2.0
111.08051	1.3
111.11745	1.7
117.03379	57.7
119.04936	0.9
121.06498	2.8
121.10141	14.9
123.11687	2.5
125.05988	2.1
125.09573	1.2
127.19527	0.8
131.08600	0.8
133.10147	0.9
134.03641	9.9
135.04419	9.7
135.08022	2.1
135.11708	5.4
137.13249	25.0
139.11182	1.0
145.02844	94.3
146.03107	1.4
149.05983	26.5
149.13237	2.5
151.03896	1.3
151.07510	1.0
153.01881	1.1
153.05428	2.3
162.03114	2.4
163.03879	12.0
163.07544	1.6
165.07030	1.3
167.07045	2.1
177.05466	100.0
177.12787	1.6
177.16393	12.0
178.05833	1.3
180.09290	1.0
181.72620	0.8
186.05495	2.6
195.06543	4.7
195.08148	1.3
195.10123	1.3
195.11761	1.7
195.13741	1.9
195.17438	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.75327	0.6
52.48859	0.5
55.01869	1.3
55.05504	1.5
59.87761	0.6
65.03937	4.9
67.05495	2.1
69.03431	1.3
69.07074	0.9
69.74577	2.2
69.74984	1.4
71.05002	0.6
78.04713	1.3
79.05498	4.2
81.03371	0.9
81.07050	2.9
83.04953	0.8
83.08628	0.8
85.06547	0.9
89.03913	25.0
91.05479	7.9
93.03397	5.4
93.07042	4.2
95.04959	2.7
95.08598	1.7
97.06546	1.4
98.21094	1.4
103.05463	1.8
105.03397	0.8
105.07043	1.6
106.04189	1.2
107.04957	8.3
107.08598	3.2
109.02814	0.8
109.06551	1.2
109.10139	1.0
111.04445	10.0
111.08100	0.8
112.74503	0.6
114.14852	0.6
117.03378	45.5
119.04943	2.2
119.08559	1.0
121.02860	2.2
121.06512	2.6
121.10133	2.3
123.08068	1.2
125.05993	10.0
131.08517	0.8
133.02872	1.5
134.03638	7.3
135.04419	10.8
135.08047	2.4
135.11671	2.7
136.89197	0.6
137.05974	7.0
137.13310	0.7
139.11124	0.8
145.02843	76.5
146.03156	0.8
148.97348	1.1
149.02281	0.6
149.05986	22.6
149.09590	1.4
151.03944	0.9
151.07521	1.5
153.05463	19.5
159.08002	0.6
159.11696	1.3
162.03120	1.9
163.03903	11.4
163.07533	1.1
165.05536	0.8
165.07013	0.6
167.03450	0.6
167.06979	1.8
167.08403	0.8
167.10637	0.6
177.05466	100.0
177.08995	2.2
177.12570	1.3
177.16382	0.7
178.05847	1.2
186.05522	2.5
195.02892	5.1
195.06570	3.8
195.08385	0.8
195.10190	2.1
195.11827	0.9
195.13777	1.9
195.17406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02395	0.6
53.03945	1.7
55.01866	3.6
55.05509	2.8
57.03434	2.0
57.07069	1.0
59.05019	0.8
63.02372	1.2
65.03936	2.3
67.01865	1.0
67.05501	4.4
68.99789	1.7
69.03420	6.5
69.07072	3.4
71.04978	1.5
71.50858	0.9
78.04705	1.2
79.05494	10.0
81.03419	1.3
81.07061	7.4
83.04980	3.1
83.08619	1.1
85.06544	0.9
89.03912	23.9
89.06020	3.4
91.05477	9.6
93.03400	2.8
93.07041	12.2
95.04956	7.7
95.06094	0.9
95.08601	5.6
97.02892	1.2
97.06525	2.7
99.04411	0.8
99.08122	0.9
103.05453	4.4
105.03400	1.5
105.04488	1.3
105.07013	5.0
106.04170	2.9
107.04951	15.2
107.08593	7.4
109.02865	2.3
109.06515	3.7
109.10147	2.4
111.04433	5.4
111.08069	2.5
116.98566	0.8
117.03376	43.4
117.06992	1.5
119.04910	1.1
119.08576	2.5
121.02846	1.3
121.06510	6.1
121.07289	1.1
121.10130	7.0
123.04426	5.8
123.08078	1.7
123.11742	0.8
124.05199	0.9
125.05955	4.0
131.04927	2.3
131.08583	3.0
133.02867	2.2
133.06522	1.2
133.10095	1.8
134.03629	6.5
135.04407	15.1
135.08041	5.7
135.11694	6.1
137.05978	1.2
137.09616	2.0
137.13326	0.9
138.03049	0.7
138.06639	0.8
139.03880	2.0
139.07550	2.1
145.02840	74.4
146.03181	0.9
147.04437	0.8
148.97325	1.8
149.02287	0.9
149.05972	26.5
149.09605	6.0
149.13246	2.3
150.03091	0.6
151.03900	7.0
151.07547	2.1
151.11246	0.9
153.01823	29.4
153.05463	17.0
153.09117	1.2
158.32930	0.8
159.11699	2.7
162.03162	1.7
163.03889	14.6
163.07559	2.0
165.05476	2.3
165.06972	1.5
167.03349	1.2
167.07072	4.1
167.08357	1.1
167.10725	0.8
171.99005	1.8
177.05463	100.0
177.08910	7.3
177.12675	4.0
177.16324	1.9
180.04211	0.7
180.09402	1.7
186.05501	3.1
195.02869	6.9
195.06520	82.9
195.10138	7.1
195.13815	3.1
195.15648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03940	1.4
55.05505	1.5
57.07086	0.6
61.72738	0.6
65.03944	0.7
67.05500	1.7
69.07067	1.3
69.66507	0.5
71.03284	1.0
71.03622	0.7
78.04712	1.4
79.05488	2.4
81.07043	2.4
89.03915	27.8
91.05500	3.2
91.20423	0.6
93.07035	2.2
95.04970	1.8
95.08608	4.5
97.06516	0.6
101.81228	0.5
103.05447	1.5
103.70255	0.5
105.06995	1.1
106.04166	2.4
107.04977	4.0
107.08583	2.4
109.06527	0.9
109.10143	0.9
111.04404	0.6
117.03378	48.8
119.04955	0.6
121.02748	0.5
121.06510	1.7
121.10135	3.4
123.11696	1.9
124.05247	0.9
125.06005	0.8
131.04941	0.6
134.03632	8.2
135.04424	9.2
135.08052	1.2
135.11690	2.0
137.05983	1.5
137.13237	5.1
139.07523	0.7
145.02838	92.0
146.03175	1.4
149.05969	22.6
149.09618	0.6
149.13281	0.8
153.05505	0.7
158.05984	0.6
162.03113	2.2
163.03900	10.7
167.07079	1.0
176.33902	0.6
177.05466	100.0
177.16397	2.3
178.05760	1.2
180.09384	0.7
186.05495	2.9
194.46222	0.6
195.02859	1.1
195.06578	3.3
195.10130	0.8
195.11772	0.9
195.13812	1.0
195.17421	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	0.7
55.01867	1.3
55.05518	0.4
56.96586	0.3
58.15537	0.3
65.03947	0.6
67.05506	0.7
69.03429	0.5
69.07066	0.3
70.63687	0.8
70.64066	0.7
71.04998	0.4
77.03930	0.7
79.05492	2.4
81.03426	0.7
81.07062	1.2
83.04999	0.7
89.03915	1.8
89.06042	0.7
91.05467	2.6
93.03387	1.0
93.07036	2.8
95.04961	1.7
95.08605	0.9
97.06522	0.7
98.97598	0.4
103.05463	5.9
105.07027	1.0
107.04961	4.2
107.08580	1.4
109.06481	0.6
109.07613	0.6
111.04438	1.5
112.83398	0.4
117.03383	3.5
119.08606	1.0
121.02896	1.2
121.06520	3.3
121.10133	1.2
123.08063	0.6
125.06037	1.6
125.06865	0.3
131.04926	76.0
132.05261	0.9
133.02870	0.7
134.03618	0.7
135.04419	2.4
135.08038	1.3
135.11665	0.7
137.05977	0.5
138.06662	0.4
139.03870	0.6
145.02858	6.0
148.97330	0.8
149.05978	10.2
149.09587	1.0
153.05481	2.3
159.04411	100.0
160.04735	1.5
163.03886	1.9
167.03384	0.6
167.07074	0.5
171.98880	0.4
177.05467	73.8
178.05832	0.9
195.02878	3.9
195.06516	6.1
195.08217	0.7
195.10172	1.1
195.11783	0.4
195.13789	0.4
195.15933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.38419	0.4
51.37485	0.4
53.03941	0.7
55.01851	0.7
55.05514	0.6
57.07069	0.6
63.02367	0.7
65.03938	0.8
67.05500	1.3
68.99763	0.4
69.07057	1.4
69.84071	1.8
69.84497	0.8
75.85220	0.4
78.04708	1.1
79.05505	2.7
81.07061	2.1
83.04976	0.8
83.08591	0.6
85.06534	0.6
89.03915	27.2
89.06027	0.4
91.05479	4.6
93.03387	0.6
93.07034	3.3
95.04977	2.1
95.08618	1.9
97.06516	0.6
103.05461	2.5
105.07038	1.6
106.04180	1.9
107.04952	9.5
107.08583	2.5
109.06554	0.7
109.10151	0.9
111.04458	0.7
111.08096	0.5
117.03377	49.5
118.03712	0.7
119.08615	0.6
121.06475	2.2
121.10102	2.1
124.05193	0.6
125.05965	1.3
131.04913	0.6
133.06444	0.6
134.03630	8.0
135.04417	8.9
135.08032	2.6
135.11708	2.1
137.05945	0.5
137.09601	0.5
137.13271	0.8
139.03879	0.5
145.02841	87.4
146.03160	1.1
149.05980	22.6
149.09610	0.9
149.13275	0.6
151.07515	0.5
153.05516	1.1
153.09058	0.7
154.06279	0.4
162.03192	2.0
163.03902	12.3
163.06326	0.4
163.07568	3.1
165.07021	0.8
167.07040	2.1
177.05469	100.0
177.16389	0.7
178.05811	1.6
180.07838	0.5
186.05478	2.9
195.02846	1.4
195.06636	2.1
195.08197	0.8
195.10187	1.8
195.11792	0.7
195.13834	0.9
195.17398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	0.7
55.01870	0.5
55.05504	1.1
56.87046	0.4
58.93192	0.3
63.02377	0.9
65.03936	0.8
67.05497	1.3
68.16392	0.3
69.07060	1.7
71.04984	0.6
72.79136	0.4
78.04716	0.8
79.05507	3.0
81.07043	2.7
83.04991	0.6
83.08624	0.6
89.03913	24.1
91.05479	4.0
93.07032	2.7
95.04962	2.6
95.08592	1.6
97.06534	1.2
98.20805	0.9
99.08127	0.4
103.05459	1.6
105.03378	0.5
105.07021	1.0
106.04166	2.1
107.04951	8.1
107.08622	2.0
109.02902	1.0
109.06504	0.7
109.10120	0.8
111.04411	1.2
117.03371	48.2
118.03672	0.5
119.04948	0.5
121.06527	2.2
121.10106	2.0
123.04429	0.7
124.05194	0.7
125.05976	1.3
129.04440	0.5
131.08540	0.5
133.10097	0.4
134.03627	8.4
135.04402	9.2
135.08015	1.8
135.11652	1.4
137.09584	0.5
137.13234	1.3
145.02837	83.1
146.03162	1.2
149.05975	23.2
149.09639	1.0
149.13283	0.7
151.03897	0.5
153.05486	1.8
154.06248	0.7
158.06033	0.9
159.60229	0.4
162.03111	2.2
163.03883	10.5
163.07530	1.5
165.07005	0.7
167.07021	1.7
167.08401	0.5
177.05458	100.0
177.16386	0.8
178.05867	0.9
180.09232	0.6
186.05554	3.1
195.02884	1.2
195.06670	2.2
195.08157	0.7
195.10155	1.7
195.11696	0.8
195.13736	1.0
195.17490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	1.2
55.05496	0.9
59.87238	0.5
63.02387	0.8
65.03917	1.0
67.05492	1.5
69.07060	1.2
70.66680	1.7
71.04968	0.8
78.04712	1.5
79.05485	5.3
81.03396	0.5
81.07059	2.7
83.04988	0.6
83.08617	0.8
89.03912	26.4
91.05482	3.6
93.03416	1.1
93.07042	3.0
95.04955	2.7
95.08612	2.0
97.05846	0.5
97.06480	1.0
97.10181	0.5
103.05474	4.1
105.03394	0.7
105.06419	0.5
105.06988	2.9
106.04176	2.3
107.04948	19.5
107.08584	3.1
109.02891	0.7
109.06508	1.1
109.10148	1.1
111.04401	1.2
111.08073	1.1
115.05495	1.4
117.03373	48.5
117.07026	0.5
119.04960	0.7
121.02859	0.6
121.06483	1.9
121.10146	1.9
123.04429	0.9
123.08054	0.6
123.11721	0.5
124.05188	1.0
125.05994	1.7
131.04907	1.0
131.08563	0.8
133.06487	0.5
133.10101	0.5
134.03625	7.6
135.04407	10.6
135.08054	4.6
135.11710	1.8
137.05977	1.1
139.03908	1.7
145.02835	83.1
146.03105	1.2
147.04338	0.8
149.05968	22.9
149.09612	1.0
151.07549	1.3
153.05464	2.4
154.06233	2.8
162.03130	2.1
163.03894	12.3
163.07559	5.0
165.05498	0.7
165.06950	0.7
167.07030	4.3
177.05460	100.0
177.12723	1.2
177.16298	1.1
178.05833	1.1
180.07825	0.7
186.05440	2.6
188.25253	0.5
195.02959	2.0
195.06503	2.8
195.08379	0.8
195.10164	4.4
195.11745	1.1
195.13885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	ferulic acid
Peak:m/z	Relative Intensity
50.10216	0.6
50.66329	0.6
53.00303	0.6
53.03948	1.7
55.01865	1.3
55.05506	2.1
57.03428	0.9
57.07064	1.3
63.02372	1.0
65.03937	1.6
66.68575	0.5
67.05495	2.2
69.03430	0.8
69.07066	2.6
69.93779	2.9
71.04978	1.0
78.04671	1.3
79.05489	8.0
81.07061	5.7
83.04983	1.3
83.08586	1.4
84.32664	0.6
85.06553	0.8
85.50579	0.5
89.03918	22.2
89.06017	0.8
91.05476	6.2
93.03403	1.6
93.07047	5.6
95.04965	5.8
95.08611	8.9
97.06534	1.3
98.21386	0.9
103.05450	5.3
105.07037	3.5
106.04173	2.4
107.04955	27.6
107.08587	6.5
109.02905	1.6
109.06535	1.2
109.10164	2.4
111.04431	2.0
111.08108	0.8
115.05457	2.7
117.03381	42.1
119.04916	0.8
119.08608	1.0
121.02872	1.7
121.06534	2.6
121.10154	7.0
123.04444	0.7
123.08028	1.0
123.11692	2.2
124.05205	1.1
125.06005	3.9
125.09641	0.8
131.04948	1.6
133.10083	0.9
134.03639	6.8
135.04425	8.5
135.08063	7.3
135.11684	4.4
137.05939	0.9
137.09621	1.0
137.13261	13.1
139.03851	1.1
139.07549	0.6
145.02844	85.8
147.04347	1.0
148.05144	0.6
149.02350	8.4
149.05974	21.1
149.09607	1.5
149.13281	1.0
149.97176	1.0
151.03893	1.8
153.05463	5.3
154.06268	1.5
159.11656	1.2
162.03088	1.8
163.03886	11.0
163.07530	8.2
165.05521	1.2
165.06937	1.0
167.03525	0.8
167.07045	8.4
171.27304	0.6
172.98758	0.7
176.91830	0.6
177.05467	100.0
177.12712	1.8
177.16393	5.0
178.05829	1.2
180.07791	1.8
183.90662	0.7
186.05504	2.9
195.02898	1.6
195.06586	2.8
195.08545	1.1
195.10211	7.5
195.11876	1.1
195.13737	1.5
195.17421	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	1.4
53.60759	0.5
55.01874	2.0
55.05502	1.7
56.96552	0.7
57.03422	0.7
57.59216	0.4
58.77597	0.4
63.02363	0.9
65.03941	1.0
67.05499	1.8
67.37200	0.5
69.03442	0.6
69.07060	0.7
69.35627	4.4
71.04994	0.8
77.03927	0.9
78.04710	1.7
79.05495	9.6
81.03420	0.7
81.07046	1.8
83.04961	1.9
85.06500	0.5
87.68510	0.5
89.03915	27.5
89.06040	0.8
91.04926	0.5
91.05481	8.4
93.03391	1.8
93.07041	3.1
95.04967	4.4
95.08608	0.8
97.06555	0.5
103.04804	0.8
103.05463	10.9
103.06157	0.6
105.03401	0.7
105.04514	0.6
105.07035	8.1
106.04196	2.2
107.04951	68.5
107.08568	3.0
109.02797	0.5
109.06505	0.8
109.10146	0.6
110.03655	0.7
111.04435	1.8
115.04678	0.7
115.05450	5.9
117.03374	52.5
117.06989	1.9
118.03637	0.5
119.04923	1.8
120.05720	2.7
121.02804	0.7
121.06516	2.8
121.10136	1.3
123.04410	1.6
124.05210	2.0
125.05996	2.2
131.04910	1.9
131.08542	0.7
133.02835	0.8
133.06496	1.2
134.03621	8.7
135.04414	8.3
135.08049	17.9
135.11702	1.3
137.05969	1.7
137.09653	0.7
139.03996	1.1
145.02840	90.9
145.07585	1.1
146.03181	1.0
147.04420	2.1
148.05164	0.9
148.97430	0.5
149.05975	26.8
149.09563	1.1
149.13255	0.7
151.03854	0.9
152.04675	0.8
153.05424	3.9
153.12740	0.8
154.06244	4.2
155.07079	0.5
158.05962	0.6
159.11617	0.9
162.03162	2.4
163.03905	10.9
163.07538	24.5
164.08118	0.5
165.05481	1.5
167.03407	0.5
167.07030	23.0
177.05464	100.0
177.12711	0.9
178.05869	1.1
179.07013	0.8
180.07791	5.2
186.05533	2.3
188.68246	0.5
195.02878	1.2
195.06473	1.7
195.10165	20.6
195.13737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	1.3
55.01867	1.0
55.05514	1.9
56.96569	1.2
63.02359	0.7
65.03947	2.1
67.05505	2.1
69.03431	1.5
69.07065	1.3
70.83270	0.9
70.83579	0.6
71.04988	1.2
77.03933	0.8
78.04708	1.1
79.05497	6.1
81.03407	1.1
81.07036	2.7
83.04973	1.5
89.03916	25.5
89.06007	1.2
91.05483	6.1
93.03407	2.1
93.07037	4.9
93.09272	0.5
95.04962	3.9
95.08595	1.5
97.02898	1.2
97.06553	1.0
98.97602	1.8
103.05473	2.4
105.03384	1.0
105.07047	2.7
106.04177	1.8
107.04950	11.3
107.05641	0.8
107.08572	4.4
109.02864	1.0
109.06524	2.5
109.10149	1.1
109.32709	0.6
111.04451	4.3
111.08109	0.7
115.05417	0.9
116.98655	1.3
117.03376	48.6
117.07067	1.2
118.57921	0.5
119.04942	1.4
119.08595	1.1
121.02869	1.4
121.06519	2.9
121.10140	2.7
122.07211	0.6
123.04437	0.8
123.08060	0.6
124.05242	1.0
125.05981	4.2
125.09612	0.6
127.03907	0.6
131.04915	0.7
131.08568	0.8
133.02863	1.3
133.10054	0.8
134.03641	7.4
135.04405	10.2
135.08051	4.8
135.11678	2.2
137.09608	1.7
139.03981	0.8
139.07538	0.6
145.02843	87.8
146.03149	0.9
148.97304	1.1
149.02336	1.0
149.05978	24.4
149.09622	2.2
149.13310	0.8
151.03944	0.5
151.11198	0.6
153.05455	10.5
159.11664	1.1
162.01921	0.5
162.03078	2.7
163.03889	12.8
163.07523	2.3
165.05508	0.6
165.07005	0.7
167.03389	0.6
167.07025	2.2
167.10756	0.5
171.98918	0.5
177.05466	100.0
177.12686	1.6
177.16376	1.1
178.05771	1.2
186.05444	2.9
195.02885	4.4
195.06590	3.3
195.08197	1.1
195.10228	3.0
195.11731	0.9
195.13849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.14496	0.4
53.03940	0.8
55.01861	0.5
55.05511	0.8
59.16864	0.5
63.02374	1.0
65.03946	0.8
67.05489	1.2
69.03428	1.2
69.07059	1.1
71.04984	0.8
71.18441	0.6
78.03825	0.4
78.04699	0.8
79.05501	3.9
81.07055	2.5
83.04988	1.1
85.02873	0.5
85.06532	0.5
89.03913	25.9
91.05486	4.1
92.30159	0.4
93.03384	0.7
93.07043	3.1
95.04982	2.1
95.08617	1.5
97.02882	0.5
97.06516	0.7
98.21219	0.6
98.46687	0.4
103.05460	1.8
105.03406	0.6
105.07041	1.4
106.04172	1.6
107.04966	5.3
107.08607	2.7
109.02894	0.9
109.06548	0.7
109.68467	0.5
111.04429	1.4
117.03376	48.0
117.07030	0.6
118.03655	0.5
119.04967	0.5
120.18604	0.4
121.02829	0.9
121.06539	2.3
121.10141	1.4
123.04484	1.2
124.05228	1.0
125.05979	1.4
125.09582	0.5
131.05013	0.6
131.08542	0.6
133.02890	0.9
133.06538	0.5
134.03633	7.1
135.04419	7.6
135.08040	1.8
135.11710	2.2
137.05934	0.9
139.03894	0.7
139.07538	0.7
145.02841	84.5
146.03168	1.1
147.04424	0.6
148.97337	0.6
149.05980	22.3
149.09581	1.0
151.03880	1.2
151.07532	1.1
153.01804	4.2
153.05473	1.9
159.11662	0.7
162.03127	2.3
163.03902	10.1
163.07568	0.8
167.03494	0.8
167.07089	1.0
167.08594	0.6
177.05464	100.0
177.12669	0.9
178.05792	1.2
180.07794	0.8
186.05513	2.5
195.02925	2.1
195.06552	11.2
195.08279	0.8
195.10175	1.9
195.11761	0.7
195.13800	0.9
195.15674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02358	0.8
53.03925	1.3
55.05510	33.3
57.07058	5.5
64.61877	0.8
67.05502	32.6
69.03423	13.9
69.06688	0.8
69.07063	13.4
70.66846	2.7
71.04986	2.8
71.08619	1.2
77.03948	1.0
78.12048	0.7
79.05486	5.4
79.05895	0.9
79.35821	0.8
81.07054	29.3
83.04977	27.7
83.08618	11.5
85.06535	1.9
91.05468	6.4
93.07042	9.6
95.04958	4.0
95.08599	40.8
96.08901	0.8
97.06509	2.6
97.10169	4.2
99.08053	1.1
103.05452	1.3
105.06320	1.2
105.07030	16.5
107.04896	1.1
107.08589	19.8
108.05681	0.9
109.05814	1.9
109.06516	21.8
109.10153	93.1
110.10488	1.6
111.08085	13.8
119.08573	30.8
120.09384	1.0
121.06455	1.1
121.10141	27.2
121.11037	1.5
121.11981	0.8
122.07280	3.6
123.08062	100.0
123.11684	11.3
124.08457	1.5
124.39373	0.9
125.09631	2.6
133.06450	2.3
133.10127	18.5
135.11685	36.0
136.11986	1.1
137.09612	50.4
137.13177	1.3
138.10399	25.4
138.41278	0.9
139.11101	1.7
145.10138	1.2
147.11659	3.2
149.13248	6.1
151.11169	4.8
151.14813	10.0
161.06000	2.4
175.14821	25.2
176.15068	1.1
193.04967	1.8
193.15872	50.3
194.16225	0.8
199.80519	0.7
199.82582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.52202	1.0
51.38146	1.0
53.03936	3.3
54.46357	1.1
55.01871	1.1
55.05512	15.0
56.17225	1.2
57.07060	4.6
59.04989	1.5
65.03925	2.2
67.05501	19.8
69.03421	3.3
69.07068	28.9
71.04990	14.2
71.51717	1.5
79.05484	11.5
81.03413	3.9
81.07056	30.2
83.04985	5.9
83.08614	5.4
85.06536	13.2
91.05478	19.0
92.47990	1.1
93.07040	27.9
95.04383	2.2
95.04969	41.3
95.05573	2.3
95.08607	25.7
96.08894	1.3
97.06505	4.5
97.10157	8.9
99.08080	3.6
103.05440	2.9
105.03388	1.7
105.07027	31.2
107.04955	3.1
107.08591	36.7
109.06514	100.0
109.10153	30.8
110.06873	2.4
110.10550	1.3
111.08073	7.7
111.11682	2.1
115.05473	4.0
117.07005	1.6
119.04940	3.9
119.07718	1.9
119.08575	33.8
121.09335	1.5
121.10133	12.9
123.04443	1.4
123.08073	22.4
123.11702	19.1
129.07027	1.2
131.08554	2.5
133.02864	8.3
133.06499	14.0
133.10117	30.0
135.04472	1.9
135.11687	41.2
137.05978	4.6
137.09607	20.7
138.10417	2.5
147.04381	3.6
147.08015	1.8
147.11685	8.7
149.02304	2.2
149.09592	1.4
149.13266	9.9
150.03102	1.2
151.03819	1.7
151.11157	6.4
151.14793	2.7
157.10002	2.0
161.02359	1.9
161.05983	13.1
165.05461	2.1
165.12726	1.7
175.03891	3.8
175.07549	2.0
175.11221	2.6
175.14815	41.7
176.03439	1.7
176.15211	1.6
177.26180	1.1
178.02620	6.0
178.07727	1.7
193.04955	30.1
193.06750	1.9
193.08568	3.3
193.10210	3.3
193.12167	8.7
193.15883	65.1
194.08163	1.3
194.15376	2.6
196.56961	1.1
211.05989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03944	2.0
55.05506	33.5
56.48571	1.1
57.07075	5.2
59.04988	1.1
62.65398	1.1
65.03910	1.2
67.05502	27.1
69.03423	14.7
69.07058	14.4
69.30560	10.7
71.04981	2.5
71.08619	1.7
79.05476	7.8
81.06599	1.7
81.07053	30.3
83.04489	1.9
83.04979	26.3
83.08609	12.3
85.06516	2.3
91.05481	7.1
93.07042	10.5
95.04978	2.7
95.08601	46.8
97.06503	3.7
97.10133	5.2
99.15623	1.0
105.07030	14.7
107.04977	1.6
107.08589	28.4
109.06514	19.5
109.10151	100.0
109.35104	1.1
110.10484	1.8
111.08073	10.3
119.08569	36.9
121.10143	32.0
122.07291	3.2
123.08060	94.2
123.11700	14.2
125.09617	3.6
131.08600	1.8
133.02835	2.1
133.06473	2.9
133.10130	19.2
135.11678	46.4
137.09607	55.9
137.13211	1.1
138.10402	22.1
139.11150	2.0
145.10168	1.2
147.11667	4.7
149.13264	7.2
151.11174	6.4
151.14798	9.1
160.12364	1.3
161.02324	1.2
161.05965	3.0
165.16351	3.0
175.14812	34.3
193.05022	2.6
193.08656	1.8
193.15871	61.4
194.16180	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	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.69019	0.8
55.05509	34.3
57.03425	1.2
57.07071	4.7
59.04988	2.3
65.03916	1.1
67.05502	29.1
69.03426	18.3
69.07064	11.7
71.04983	2.3
71.08612	2.4
77.21310	0.7
79.05491	7.3
81.06597	1.7
81.07056	31.1
81.07536	1.8
83.04976	30.2
83.08163	1.3
83.08617	13.5
85.06523	2.1
91.05486	5.9
93.07036	14.3
95.04976	4.9
95.08601	46.2
96.08932	1.2
97.06530	4.0
97.10159	5.8
98.20816	2.5
99.08080	1.1
100.17015	1.0
105.03336	0.9
105.07024	18.0
107.05008	1.0
107.07884	1.7
107.08582	27.5
108.05756	1.4
109.06512	24.5
109.10151	100.0
110.10472	1.7
111.08074	13.9
117.06949	1.6
118.04220	1.1
119.08576	33.9
120.09361	0.8
121.10140	32.7
121.45114	0.9
122.07282	4.0
123.08060	98.6
123.11685	12.8
124.08327	1.4
125.09612	3.6
126.20666	0.8
133.02832	4.1
133.06537	5.3
133.10123	23.3
135.11685	48.5
136.12032	1.5
137.06052	0.9
137.09607	55.3
137.13194	1.6
138.10399	27.5
139.11249	2.2
145.10085	1.5
147.04315	0.9
147.11693	4.6
149.13260	7.8
151.11227	5.7
151.14804	10.4
152.22728	0.8
157.84155	0.9
161.02362	1.4
161.06018	4.7
165.05492	1.6
165.16396	1.4
175.14815	33.8
178.02603	1.1
193.04933	3.2
193.08539	2.0
193.12230	2.5
193.15872	74.7
194.16206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12086	0.5
52.08144	0.6
53.03942	1.7
55.01869	3.3
55.05499	2.1
56.96555	1.7
57.03431	0.7
57.07066	1.4
60.04501	1.0
61.02919	0.8
65.03938	1.1
66.04699	1.0
67.05502	3.4
68.05010	0.9
69.03423	2.7
69.07056	1.5
70.06573	0.9
71.04981	1.2
71.50519	1.0
72.70950	0.6
77.03925	1.7
79.05493	9.1
80.05029	1.4
81.03422	0.9
81.07055	4.2
83.04971	2.3
83.08600	1.0
85.06546	0.8
91.05476	15.7
93.07035	2.9
94.04176	0.8
94.06564	2.4
95.04962	6.1
95.06045	1.0
95.08582	3.9
97.02865	0.9
97.06510	1.3
98.97567	1.1
99.04504	0.7
103.05463	8.1
104.06246	0.8
105.03388	5.2
105.07027	53.0
106.06546	2.3
106.07305	1.1
107.04940	2.3
107.06108	1.0
107.06850	0.6
107.08564	3.6
109.02808	1.1
109.06507	5.4
109.07648	1.6
109.10147	4.6
110.08404	1.0
111.04457	0.6
111.05575	0.8
111.08008	0.8
111.09204	0.8
113.95361	0.6
115.05453	12.0
117.05768	1.1
118.04160	6.3
118.06540	13.1
119.04939	5.8
119.08577	4.8
120.08111	2.2
121.02893	1.0
121.06538	0.9
121.10139	2.5
122.03635	1.5
122.06065	1.0
123.04416	2.2
123.08044	3.7
123.11687	1.4
128.04953	3.2
129.07030	1.0
130.06522	20.5
131.04906	3.0
131.07143	0.7
132.04445	2.4
132.05525	0.7
132.07994	0.9
133.02846	24.5
133.05289	3.3
133.06485	43.8
133.10133	4.2
133.71628	0.6
134.03654	0.6
134.05959	1.6
134.06888	1.5
135.08070	1.6
135.09192	0.6
135.11679	2.2
136.07573	21.8
137.02293	3.1
137.05986	4.8
137.07965	0.8
137.09598	2.9
143.04982	1.0
143.06032	3.2
144.04440	1.8
146.06000	100.0
146.97459	0.8
147.04398	9.0
147.06522	2.2
147.07982	1.3
147.11681	2.6
148.03896	5.5
148.07579	17.6
148.08701	1.0
149.02328	1.2
149.05968	1.8
149.09544	0.9
150.03131	4.2
151.03918	4.0
151.07562	1.5
151.11154	1.4
157.10123	1.0
158.06010	19.8
159.06805	6.4
159.09138	4.1
160.09985	1.8
161.02327	8.8
161.05975	43.8
164.07047	2.6
165.05464	6.2
165.07433	0.7
165.09073	0.8
175.03876	4.3
175.07407	1.5
175.08748	3.5
175.11171	1.7
175.14828	2.8
176.07060	34.5
176.09462	1.4
177.07347	0.9
178.02603	8.0
178.06201	1.1
193.04968	29.5
193.06779	3.5
193.08588	8.6
193.10100	5.2
193.12312	2.9
193.15912	5.4
193.17572	1.1
194.05336	1.0
194.08070	1.0
194.15343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03941	0.7
55.01867	1.9
55.05504	2.2
56.05017	0.7
56.96561	6.1
57.03430	1.1
57.07076	1.1
60.04550	0.4
60.95845	0.6
61.02918	0.4
65.03943	1.2
67.05504	2.6
68.05022	0.4
69.03432	3.0
69.07059	1.5
70.06573	0.9
70.92959	0.8
70.93298	0.5
71.04961	0.5
71.95233	0.4
73.02911	1.5
77.03926	0.4
79.05500	3.4
81.03418	1.6
81.07064	3.1
82.06567	0.6
82.55601	0.4
83.04971	2.2
83.06069	0.7
83.08615	0.8
83.42639	0.4
84.96023	0.4
85.02896	1.6
86.00213	0.4
88.07468	0.3
91.05482	5.2
93.03416	0.5
93.07037	2.9
94.06556	0.7
95.04961	3.9
95.06055	0.6
95.08604	2.8
97.02924	2.0
98.06041	0.6
98.97594	2.3
102.68473	0.4
103.05466	4.0
105.03400	1.5
105.04553	0.5
105.07024	7.9
105.86823	0.3
106.06544	1.1
107.04953	1.5
107.06136	0.7
107.06935	0.7
107.08593	2.3
109.02857	0.6
109.06516	2.7
109.07635	0.4
109.10155	2.6
110.97589	0.5
111.04421	1.1
111.08108	0.5
112.07581	0.8
115.05445	2.0
116.98610	1.9
117.07056	0.4
118.04197	0.8
118.06496	0.5
119.01842	0.8
119.04939	1.6
119.06937	0.4
119.08567	4.4
120.08129	2.5
120.97865	0.4
121.06493	1.5
121.07429	0.4
121.10145	1.8
122.03687	0.5
122.05970	0.5
123.04424	1.3
123.06350	0.5
123.08045	2.8
123.11697	1.1
128.98595	1.5
129.05505	0.6
130.06522	13.5
131.04910	2.4
132.04417	0.4
133.01823	0.6
133.02834	5.2
133.05228	1.2
133.06480	7.4
133.10144	2.8
134.03645	1.0
134.06032	4.4
134.99689	1.6
135.04433	0.6
135.08000	0.5
135.11673	3.5
136.06255	0.9
136.07541	0.8
137.02307	1.1
137.05977	2.8
137.09596	2.3
138.05472	0.9
144.05048	0.5
146.05992	5.9
146.97487	0.5
146.99579	1.8
147.01405	0.6
147.04376	3.0
147.06386	1.2
147.08047	1.2
147.11659	1.0
148.03926	9.9
148.06537	0.7
148.07584	11.8
148.08659	0.7
149.02357	0.7
149.04721	0.4
149.05984	1.1
149.13205	0.5
150.03114	0.8
150.10239	0.4
150.96931	0.5
151.03905	0.8
151.07535	0.9
151.14735	0.4
152.07079	1.4
153.07828	1.6
156.47699	0.5
158.05965	16.5
159.04431	0.5
159.06378	0.6
161.01192	0.7
161.04622	1.3
161.05916	5.4
162.05490	0.6
163.05867	8.4
164.06580	7.3
165.00679	0.4
165.05376	2.4
165.51942	0.4
166.04945	0.5
168.09709	0.4
170.06564	0.9
171.05034	0.4
175.03896	1.8
175.07530	1.4
175.08873	2.4
175.11185	0.6
175.14827	2.4
176.07054	100.0
177.00665	0.9
177.07390	2.5
178.01060	0.7
178.02644	2.7
181.08264	0.4
188.07686	3.5
189.00673	1.0
193.03235	0.9
193.04913	13.4
193.08397	2.2
193.09895	15.3
193.12279	1.5
193.15889	5.0
194.04515	0.8
194.08151	1.8
194.09996	0.7
199.09329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0973
Annotation	3-Hydroxy-11-norcytisine
Peak:m/z	Relative Intensity
52.96678	0.2
53.03924	0.4
55.01848	0.6
55.05476	0.8
56.05013	0.5
56.96563	7.2
57.03437	1.4
57.07047	0.6
58.48733	0.3
60.95842	0.3
61.02894	0.7
65.03922	0.4
67.05476	0.8
69.03427	2.1
69.07026	0.4
69.21456	2.7
70.06570	0.9
71.04966	0.5
71.95226	0.5
73.02921	1.8
77.00882	0.3
79.05493	1.2
79.05873	0.2
80.04984	0.4
81.03403	1.2
81.07034	1.1
82.06570	0.3
83.04955	0.7
83.08592	0.5
84.96008	0.5
85.02911	2.1
87.04439	0.4
88.02179	0.4
91.05476	1.4
93.07039	0.6
94.06532	0.3
95.04936	1.2
95.08582	0.6
96.05584	0.3
96.99593	0.3
97.02882	2.4
98.09650	0.3
98.21541	0.6
98.97575	2.5
99.04391	0.4
99.09997	0.5
100.02450	1.0
101.00824	0.4
102.02230	0.3
102.96849	0.5
103.02394	0.8
103.05450	3.1
105.03367	0.4
105.07033	2.4
105.98688	0.3
106.04025	0.5
106.06535	0.6
107.04944	0.7
107.08582	1.0
108.05586	0.5
109.02882	0.7
109.06464	0.6
109.07633	0.3
109.10104	0.9
111.04415	0.7
115.02448	0.4
115.05469	0.5
116.98629	1.4
118.03482	0.9
119.01883	1.8
119.04922	0.7
119.08605	1.4
120.01978	0.3
120.04475	0.3
120.07402	0.2
120.08108	2.0
120.97887	0.3
121.01626	0.8
121.03448	0.6
121.05090	0.5
121.06435	0.3
121.10114	0.6
122.03638	0.4
122.06021	0.3
123.04348	0.5
123.08035	0.7
124.05060	0.3
125.02307	0.3
127.03899	0.7
128.98573	1.0
130.05597	0.4
130.06520	6.5
131.01883	0.9
131.04955	1.6
133.01704	0.4
133.02718	1.3
133.05228	2.3
133.06425	1.6
133.10107	0.8
134.06003	6.1
134.99680	1.1
135.06773	0.4
135.11717	1.3
136.00899	0.3
136.06197	2.1
136.07159	0.3
136.07594	0.2
137.05934	0.8
137.09579	0.8
138.05473	3.4
138.98886	0.3
142.96448	0.3
143.00092	0.3
143.01874	0.4
145.01648	0.4
145.03444	0.7
146.06004	8.5
146.97510	0.4
146.99640	1.4
147.01402	2.0
147.03229	0.7
147.04369	0.7
147.09142	1.1
147.11656	0.3
148.03929	13.6
148.06400	0.6
148.07556	15.3
149.02408	0.3
149.04475	0.4
149.05890	0.4
150.05542	0.4
151.07521	0.3
152.01964	0.3
152.07053	4.8
153.06606	0.3
153.07826	6.0
155.01956	0.3
157.03424	0.5
158.05966	7.1
158.99579	0.3
159.04361	0.5
160.97580	0.5
161.01190	0.5
161.02974	0.6
161.04681	1.1
161.05968	1.1
162.03093	0.3
162.06235	0.3
162.99020	0.3
163.02711	0.6
164.06720	0.3
165.00682	0.4
165.05383	0.6
166.04961	0.3
170.01396	0.3
170.02992	1.9
170.06567	1.1
171.01382	1.2
171.04948	0.3
174.03067	0.4
175.02621	0.5
175.03949	0.4
175.06300	0.3
175.08658	4.2
175.15016	1.0
176.07054	100.0
177.00706	0.4
177.07408	2.4
178.02614	0.5
185.02951	0.5
187.02748	0.4
187.04385	0.4
188.01073	0.3
188.03964	0.3
188.07722	0.9
189.00702	1.4
189.02345	0.6
193.00122	0.6
193.04944	4.3
193.09723	28.3
193.12334	0.8
193.15887	1.7
194.06651	1.7
194.08307	0.4
194.10117	0.7
205.03673	0.3
206.98058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02373	0.8
52.50023	0.5
53.03938	1.8
55.01868	5.2
55.05499	2.0
57.07071	0.6
59.04979	0.6
65.03943	1.7
66.04726	1.1
67.05511	2.6
69.03419	2.2
69.07060	1.1
71.04996	0.9
71.15512	0.5
71.51650	0.6
77.03915	1.0
78.04701	0.5
79.05488	14.4
81.03413	2.3
81.07056	5.0
83.04976	1.7
83.06107	0.7
83.08604	0.7
85.06512	0.6
89.03926	1.0
90.04686	1.5
91.05473	15.3
93.03389	0.6
93.07037	3.9
94.06551	0.9
95.04961	5.4
95.08577	3.8
97.02884	3.4
97.06507	0.9
102.04666	1.0
103.05462	17.4
104.06310	0.6
105.03392	6.8
105.07023	100.0
106.07368	2.5
107.04989	2.6
107.08575	2.9
109.02885	1.1
109.06519	3.3
109.07656	0.7
109.10169	2.9
111.08040	0.5
115.05445	22.0
116.05783	0.7
117.07029	1.1
118.04154	12.2
118.06504	2.6
119.04932	4.5
119.06123	0.7
119.08564	6.2
121.06498	1.1
121.10153	1.7
122.03638	2.5
123.04388	0.6
123.08057	1.5
123.11732	0.8
129.07004	0.8
130.06508	4.3
131.04922	4.7
131.08557	0.9
132.02036	0.9
132.04478	0.7
132.05692	1.5
133.02850	29.6
133.06482	88.8
133.10098	6.5
134.03279	0.7
134.06853	2.3
135.04408	0.7
135.08054	1.0
135.11688	2.2
136.07581	6.2
136.08578	0.9
137.02348	1.8
137.05965	5.4
137.09593	1.8
143.04897	1.8
143.06032	6.3
145.10097	0.8
146.03516	0.7
146.06010	15.4
147.04395	6.5
147.08041	1.4
147.11655	3.9
148.07570	3.4
148.08653	0.8
149.02299	0.7
149.05969	2.3
149.09604	0.8
150.03099	5.6
151.03894	5.4
151.07523	0.7
151.11157	1.0
158.06015	5.8
161.02368	10.9
161.05972	87.7
162.06303	2.5
165.05476	5.4
165.09084	0.7
175.03873	4.2
175.07530	1.5
175.11166	2.8
175.14799	3.8
176.07072	1.7
178.02583	9.6
178.06215	1.1
193.04951	32.5
193.08542	13.3
193.10335	0.8
193.12221	5.2
193.14041	0.7
193.15919	4.2
194.04794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.01595	0.6
51.02381	0.7
51.18079	0.4
53.03941	1.8
55.01867	10.7
55.05508	4.1
57.03429	1.6
57.07068	1.1
59.04991	1.1
65.03941	1.9
66.04718	2.0
67.05501	7.2
69.03419	2.2
69.07063	4.5
69.69968	0.4
70.60043	1.1
70.60416	0.8
71.04994	1.1
77.03924	1.3
78.04730	0.6
79.05485	15.0
81.03410	4.7
81.07053	9.9
83.01308	0.8
83.04980	2.4
83.08613	1.8
85.06541	2.4
85.97803	0.5
89.03899	0.8
90.04679	1.5
91.04902	1.1
91.05478	20.1
92.02644	0.6
93.03374	0.5
93.07036	8.0
94.04169	1.3
95.04963	6.0
95.08605	9.4
97.02892	0.9
97.06519	1.7
99.08073	1.1
103.05462	22.0
103.59076	0.5
104.06239	1.5
105.03388	8.1
105.07026	100.0
106.07349	2.4
107.04941	2.7
107.08593	8.6
109.02876	2.1
109.06511	4.9
109.10149	10.0
111.08102	1.1
111.09217	0.5
115.05451	22.0
116.05810	0.6
116.98673	0.5
117.07009	1.1
118.04153	12.9
118.06522	1.1
119.04940	10.0
119.08576	19.3
120.04487	0.5
121.06489	1.4
121.10136	4.5
122.03632	2.1
123.04395	2.8
123.08077	3.2
123.08847	0.5
123.11705	2.1
127.03928	1.2
130.06538	1.0
131.04922	6.1
131.08545	1.6
132.02057	3.5
132.05768	2.7
133.02852	20.6
133.06485	90.8
133.10121	17.2
134.06860	1.9
135.04372	1.9
135.08020	1.3
135.11699	7.5
136.07545	2.5
137.02330	65.4
137.05951	7.2
137.09595	5.5
138.02646	1.2
143.04948	1.4
143.06036	6.3
144.04405	0.5
145.10150	1.3
146.03625	3.1
146.05988	4.8
146.97511	0.6
147.04402	43.3
147.08064	2.1
147.11684	5.8
148.04814	1.2
148.07535	2.2
148.08595	0.6
149.02284	0.7
149.05974	1.9
149.09517	0.6
149.13232	1.9
150.03110	3.9
151.03931	4.0
151.07529	2.0
151.11148	1.4
151.14825	0.6
157.02753	0.6
157.10164	1.3
158.05957	2.1
160.05180	0.8
161.02379	6.9
161.05972	87.0
162.06322	3.1
163.03873	1.3
165.05469	38.5
165.12717	0.7
166.05923	1.1
173.13380	0.7
175.03888	5.1
175.07509	1.0
175.11156	2.1
175.14804	16.6
176.06990	0.9
178.02623	7.3
178.06268	6.2
193.04953	58.9
193.08574	17.9
193.12230	2.9
193.14217	0.9
193.15883	12.8
194.05493	2.4
194.15414	0.8
201.14223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01856	0.4
55.05495	0.4
57.07060	0.2
64.81224	0.1
65.03934	0.1
66.31548	0.1
67.01863	3.2
67.05497	0.8
68.99778	1.4
69.03424	0.2
69.07063	0.3
70.27340	0.1
70.97734	0.4
77.03916	0.2
79.05482	1.0
81.03395	0.6
81.07043	0.9
81.17321	0.1
83.04958	0.3
85.02905	1.7
85.06562	0.2
91.01845	0.3
91.05474	1.9
93.07037	0.6
95.04969	0.6
95.08623	0.8
97.02836	0.1
99.08076	0.3
99.92760	0.1
103.05457	0.5
105.03385	0.8
105.07027	4.0
107.04961	0.3
107.08604	0.7
109.02862	0.4
109.06499	0.3
109.10159	1.0
111.00825	0.2
111.08087	0.1
115.05444	0.6
117.06963	0.1
118.04147	0.4
119.04945	0.7
119.08585	1.1
121.06533	0.2
121.10114	0.3
122.03648	0.3
123.04413	0.3
123.08046	0.4
125.05998	1.4
127.03899	0.7
129.06964	0.1
131.04915	0.2
131.08586	0.2
133.02846	2.6
133.06493	2.7
133.10120	1.5
135.11668	0.4
136.07571	0.1
137.05980	0.9
137.09660	0.7
143.04939	0.1
143.06006	0.2
146.05981	0.4
147.04399	2.7
147.08087	0.2
147.11684	0.5
149.06012	0.2
150.03122	0.5
151.03893	1.5
151.07472	0.1
151.11153	0.2
153.01817	2.4
161.02356	0.9
161.05975	2.8
165.05450	1.1
165.09122	0.2
169.04958	1.6
171.02876	0.2
171.10948	0.1
175.03932	0.7
175.07539	0.4
175.11177	0.5
175.14796	0.5
178.02615	0.8
193.04956	100.0
193.12016	0.8
193.15842	1.0
194.05287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	3,4-Dehydro-6-hydroxymellein
Peak:m/z	Relative Intensity
50.44283	0.5
53.03946	1.1
55.01872	17.1
55.05515	1.0
56.96566	1.0
57.07076	0.9
65.03953	1.0
67.05505	2.1
68.99784	0.8
69.03415	1.0
69.07049	1.2
69.21252	1.8
69.21674	4.3
71.04977	0.6
79.05490	3.2
79.64713	0.5
81.03419	9.9
81.07050	3.8
83.04982	1.7
85.02915	0.9
87.05596	0.8
91.05479	15.0
93.07036	1.7
95.04976	4.6
95.08608	1.2
96.01575	0.5
96.02098	3.5
97.02878	0.8
98.20806	1.1
98.97554	0.8
103.05486	3.6
105.03390	1.3
105.07037	9.2
106.06532	0.5
107.04984	2.7
107.06888	0.9
107.08584	1.2
109.02891	2.6
109.06516	5.7
109.10134	0.9
109.54598	0.5
115.05429	1.7
118.04163	1.2
119.04939	20.1
119.08607	2.5
121.02876	0.9
121.06506	1.0
121.10187	1.0
122.03648	1.1
123.04416	2.9
123.08076	1.3
127.03970	2.8
130.06523	0.8
131.04930	2.0
132.05727	0.7
133.02843	6.5
133.06491	8.1
133.10098	2.7
134.07045	0.8
135.04404	1.7
135.08060	0.6
137.02336	100.0
137.05956	10.4
137.09641	1.2
138.02681	1.1
146.97502	0.9
147.04407	83.0
147.11688	0.9
148.04800	1.4
149.02374	1.0
149.05995	0.8
149.09602	0.5
150.03143	1.4
150.10246	0.6
151.03864	1.9
161.02364	0.8
161.05988	7.1
165.05473	71.5
166.05841	1.1
175.03908	12.2
175.07567	0.7
175.14822	1.1
176.06995	1.9
178.02599	3.5
193.04961	61.4
193.08513	5.7
193.12265	2.2
193.14319	0.7
193.15907	3.0
193.17528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03940	2.3
55.01865	2.0
55.05511	18.9
57.07057	6.3
65.35106	1.4
67.05500	20.6
68.79642	1.4
69.03410	7.1
69.07063	45.8
69.14294	1.3
69.41882	4.6
69.42309	8.4
72.74250	1.4
79.05488	19.5
80.03761	1.4
81.07047	27.9
83.04968	6.1
83.08611	20.9
91.05482	15.4
93.07037	64.8
95.04943	4.5
95.08599	89.8
96.08924	2.1
97.06512	2.0
97.10146	10.8
103.05464	2.3
105.07015	17.1
107.04971	2.7
107.08584	78.5
109.06511	4.1
109.10146	50.0
110.10425	2.0
115.05425	1.7
117.06988	3.7
118.04133	1.7
119.08558	5.3
121.06489	4.5
121.10133	100.0
123.08054	3.6
123.11705	5.0
129.06967	1.5
130.04167	1.5
131.04974	1.7
131.08534	9.5
133.10139	10.1
135.08093	8.3
135.11681	77.8
136.12025	1.6
145.10110	5.8
147.08025	2.1
147.11678	8.7
149.09604	6.4
149.13242	20.7
155.48280	1.7
158.10901	4.7
161.09622	1.9
162.05453	4.1
163.14822	2.1
173.13234	9.3
175.91983	1.6
176.04666	1.8
191.03363	4.0
191.07057	3.8
191.10747	5.3
191.14301	55.5
191.17938	99.5
192.10223	1.6
192.18291	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	192.0654
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
53.03943	0.2
55.01865	0.3
64.12618	0.2
65.03944	0.4
67.05483	0.2
71.27592	0.5
79.05505	1.0
81.07090	0.2
81.97092	0.2
83.22737	0.2
91.05492	1.1
93.05785	0.3
94.06587	0.3
95.04952	0.5
103.05459	0.9
104.05760	0.3
105.03384	0.6
105.07027	4.9
106.06556	0.9
108.08129	1.2
109.06517	0.2
110.06075	0.3
110.16809	0.2
110.40614	0.2
115.05436	1.0
118.04144	0.7
118.06564	1.3
119.04925	0.6
120.08134	0.2
121.02798	0.3
122.06033	0.7
128.04976	0.2
130.06525	0.3
131.04948	0.3
133.02832	1.1
133.06480	3.6
133.10115	0.2
134.06009	7.1
136.07565	2.7
137.06010	0.3
142.14563	0.2
146.05977	3.3
147.04385	0.4
147.06808	2.7
148.07552	0.4
149.04697	0.6
150.03088	0.4
150.96877	0.4
158.05998	0.3
160.05125	0.3
161.02417	0.3
161.05983	3.5
162.05495	1.9
163.06285	1.1
164.07062	29.8
165.05484	0.2
165.07420	0.6
174.02678	1.5
174.13562	0.2
175.03819	0.2
175.06212	0.4
176.07083	0.3
178.02702	0.4
192.06543	100.0
192.17479	0.5
193.04947	1.1
193.06883	1.9
193.08612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.78825	1.1
53.03940	1.4
55.05510	17.2
57.07083	2.2
61.75083	1.2
67.05508	13.1
69.07066	37.5
69.94463	6.2
79.05482	13.9
81.07056	14.8
83.08624	12.9
88.54636	1.2
91.05479	9.6
93.07042	51.0
95.04984	2.4
95.08605	70.7
97.10167	8.1
98.20814	1.3
105.07035	5.7
107.08593	55.9
107.12670	1.2
109.06519	1.9
109.10154	32.0
111.11710	1.3
117.01217	1.1
119.06026	1.3
119.08595	2.0
119.47688	1.0
121.10144	73.7
123.11716	7.1
131.08627	1.3
133.10106	3.1
135.11688	51.9
136.12048	1.5
147.11684	1.3
149.13261	11.4
163.14799	2.8
173.13272	1.6
191.10689	1.9
191.14368	8.0
191.17944	100.0
192.18237	3.3
210.64038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05242	0.9
55.05508	13.6
57.07068	3.8
67.05505	13.3
69.03428	1.7
69.07066	38.7
69.63636	4.0
71.04986	0.6
71.08626	0.6
71.59858	0.6
79.05489	13.1
81.07056	16.6
81.47425	0.6
83.04984	1.6
83.08234	0.3
83.08615	13.8
91.05468	8.9
93.07040	47.5
94.07378	1.1
95.04952	1.5
95.08602	70.0
96.08916	1.2
97.06540	0.6
97.10156	7.3
103.05441	1.0
105.07018	6.6
107.04929	0.8
107.08588	57.5
108.08899	1.1
109.06516	1.9
109.10150	36.4
111.11676	1.5
114.73373	0.6
117.06991	1.1
119.08566	3.6
121.06523	2.0
121.10136	76.7
122.10449	2.2
123.08037	0.7
123.11700	6.4
131.08568	1.8
133.10118	4.8
135.08057	3.0
135.11684	58.7
136.12091	1.9
145.10117	2.3
147.11676	2.6
149.09607	1.2
149.13257	16.4
150.13657	0.6
158.10918	1.1
161.09668	0.7
162.05515	1.4
163.07506	0.6
163.14821	2.5
164.29170	0.6
173.13290	3.3
178.70496	0.6
191.03331	1.2
191.05377	0.7
191.07024	1.3
191.10628	2.2
191.14326	16.5
191.17935	100.0
192.10158	1.4
192.18311	3.4
202.40793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.82343	1.5
53.03945	3.5
55.05508	22.3
57.07064	4.8
67.05503	18.8
69.03426	8.8
69.07065	45.6
69.37059	10.9
71.04980	2.0
79.05487	21.0
81.06602	1.7
81.07052	25.5
83.04987	7.2
83.08617	18.9
84.58334	1.2
91.05476	17.3
93.07040	55.5
95.04963	6.5
95.08604	93.1
97.10169	9.3
103.05463	5.0
103.23841	1.3
105.07030	18.2
107.04965	5.8
107.08591	77.8
108.08843	1.3
109.06519	3.6
109.10152	40.6
111.11677	1.5
111.29257	1.1
113.46008	1.3
117.07002	3.8
118.04177	2.4
119.04948	2.9
119.05934	1.2
119.08575	11.1
121.06526	6.1
121.10139	95.1
122.10451	1.8
123.08070	2.3
123.11707	6.4
129.07019	2.0
131.04924	5.9
131.08553	9.6
133.06488	1.5
133.10117	12.0
135.04442	1.5
135.08066	11.2
135.11684	66.5
136.12071	2.1
143.08560	3.6
145.06436	1.9
145.10107	8.1
147.04404	3.0
147.08084	1.9
147.11699	6.7
148.05249	1.4
149.09627	3.3
149.13257	20.6
150.02669	2.2
153.56528	1.2
158.10919	3.4
161.09625	3.6
162.05536	2.5
163.03908	1.8
163.07549	2.2
163.11235	1.4
163.14941	2.7
173.09592	2.0
173.13219	10.4
175.07527	4.9
176.04610	2.3
176.11980	2.3
177.07884	1.4
191.03372	5.3
191.06993	6.1
191.10707	9.4
191.12462	2.2
191.14304	72.4
191.17940	100.0
192.02867	1.7
192.10118	2.8
192.14651	2.5
192.18245	2.5
207.96928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.83462	0.9
53.03936	2.6
55.05505	16.3
56.09578	1.1
57.07060	3.9
67.05502	16.3
69.03428	2.7
69.07065	43.8
71.04360	2.4
79.05489	17.0
81.03413	1.0
81.07057	22.0
83.04978	2.0
83.08611	16.1
91.05477	12.4
93.07040	54.4
95.04984	2.6
95.08602	81.3
96.08920	1.7
97.10156	8.7
103.05433	1.6
105.07021	12.0
107.04971	2.3
107.08588	65.7
109.06532	2.1
109.10152	42.1
111.11716	3.2
119.08596	6.4
120.23825	1.0
121.06526	2.6
121.10139	77.3
123.08002	2.0
123.11707	7.5
123.48864	1.0
127.78230	0.9
129.06970	1.5
131.08553	6.8
133.10158	6.9
135.08075	4.8
135.11682	60.8
135.58762	1.0
136.12009	2.5
145.06517	1.0
145.10115	3.8
147.07997	1.1
147.11684	4.3
147.84335	1.0
149.09633	2.4
149.13242	15.0
152.09099	0.9
158.10870	2.0
161.09531	1.3
162.05534	3.0
163.11166	1.1
163.14799	3.9
173.13232	5.1
176.04593	1.0
191.03325	2.5
191.06985	2.9
191.10678	3.5
191.14317	29.6
191.17937	100.0
192.06525	1.2
192.18291	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05511	18.1
56.05016	2.2
57.07064	6.1
59.06120	2.7
67.05492	18.3
68.05012	6.7
69.03424	2.9
69.07063	31.2
71.51418	3.5
79.05482	17.3
81.04516	4.3
81.07066	20.0
82.06569	3.4
83.04977	4.7
83.06081	5.8
83.08611	17.4
83.76347	2.0
91.05495	9.7
93.06498	3.3
93.07043	45.6
95.04975	1.9
95.06091	4.7
95.08601	69.7
96.05610	2.2
97.10149	8.5
105.07001	10.2
106.96959	1.9
107.04948	4.2
107.06079	3.8
107.08591	59.0
108.05589	3.7
109.06486	2.4
109.07635	8.6
109.10149	49.6
110.07151	6.7
110.08449	2.8
112.08723	3.5
119.06081	2.2
119.08578	4.9
121.06439	2.0
121.10143	72.7
121.51212	2.1
122.07157	3.8
123.06678	2.4
123.09151	1.9
123.11694	7.4
124.08627	3.4
131.04851	3.3
131.08534	2.9
133.07646	2.3
133.10106	8.9
134.07104	5.4
135.08115	9.2
135.09076	3.6
135.11685	68.3
136.08699	5.0
145.10205	2.4
147.11674	4.7
148.08629	5.7
148.12473	2.6
149.08203	11.1
149.13258	33.3
150.07747	2.8
150.09058	2.7
150.10260	9.5
151.09692	5.8
151.10933	2.9
163.03871	3.3
163.09863	2.4
163.11183	4.1
164.11774	3.4
173.09750	2.0
173.13293	4.2
174.10220	4.0
175.09752	4.0
176.08170	2.2
177.07936	2.7
191.03426	6.0
191.07022	2.9
191.09192	3.5
191.10664	12.4
191.12872	17.5
191.14339	21.5
191.17943	100.0
192.06491	2.6
192.08745	2.1
192.10091	9.2
192.12463	18.6
192.18262	3.9
203.52628	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	2.3
55.05509	21.1
56.05032	4.4
57.07059	5.3
57.44915	1.4
59.06097	2.2
62.73185	1.5
67.02972	2.0
67.05253	1.2
67.05506	15.0
68.05018	3.4
69.03421	2.8
69.04586	1.7
69.07063	41.7
70.06570	1.9
70.76013	4.3
77.45163	1.8
77.82484	1.5
78.15069	1.6
79.05495	19.3
80.04993	2.9
81.04523	4.3
81.07052	22.5
82.06579	2.2
83.04969	2.7
83.06092	5.1
83.08619	21.4
86.81033	1.7
91.05472	12.0
93.04518	1.6
93.07043	55.3
94.06576	2.1
95.04958	2.6
95.06057	4.1
95.08603	85.3
97.07638	4.0
97.10145	9.6
98.07127	1.8
105.07034	7.9
107.06035	2.4
107.08591	75.8
107.09319	3.7
107.36594	1.5
108.05600	3.4
108.08090	1.8
109.03996	2.6
109.06512	3.1
109.07634	6.2
109.10146	39.7
110.07150	6.8
110.08421	1.9
111.07966	3.0
111.09177	3.1
111.11697	2.7
112.08734	1.8
119.08558	5.6
121.06430	1.8
121.07683	2.2
121.10139	100.0
122.07121	3.5
122.10486	1.8
123.09211	3.4
123.11714	8.3
131.08597	3.9
133.07585	4.7
133.10095	4.7
134.07018	1.9
135.08028	4.3
135.11688	66.5
136.08704	3.9
145.10052	2.1
147.11674	2.1
148.08705	3.1
149.08203	7.6
149.09477	3.9
149.10669	1.7
149.13260	12.7
150.08907	1.6
150.10265	7.3
151.09756	4.4
151.10951	2.5
152.10519	2.1
158.10844	1.7
162.05518	3.4
163.14804	1.9
164.08054	2.1
164.11775	2.0
173.09651	2.2
173.13242	2.7
174.10257	2.5
175.09789	2.0
191.03320	2.3
191.06885	1.8
191.09236	3.5
191.10739	3.0
191.12863	7.6
191.14313	17.3
191.17937	84.3
192.10187	5.4
192.12395	6.3
192.18202	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	1.4
55.01851	1.5
55.04098	0.5
55.05508	4.6
56.23307	0.6
57.07066	1.7
59.04972	0.6
65.78014	0.5
67.05489	2.9
69.03427	15.7
69.07069	7.3
70.20236	2.0
71.04982	1.4
79.05485	5.7
81.07053	4.3
83.04977	14.7
83.08607	2.2
84.31429	0.5
85.06538	1.3
91.05469	6.7
93.07040	6.7
95.04948	1.7
95.08604	4.4
97.06517	1.7
97.10150	0.8
103.05451	2.0
105.07029	9.5
107.04935	2.2
107.08588	23.8
108.08884	0.7
109.06483	3.1
109.10145	1.9
111.08105	0.7
115.05450	1.2
117.07003	2.1
119.08591	7.5
121.06514	5.4
121.09338	1.0
121.10142	13.0
123.08056	2.6
129.07014	1.1
130.07745	0.7
131.04906	0.7
131.08563	9.6
133.10129	9.9
135.08043	15.3
135.11658	4.4
136.08832	1.4
143.08531	4.6
144.09355	0.9
145.10115	6.3
147.11693	7.0
148.05182	0.8
149.09590	4.0
149.13268	4.8
158.10910	7.9
161.09615	5.7
162.05418	0.7
163.03883	1.0
163.07558	1.3
163.14813	1.3
173.09613	0.6
173.13264	15.1
176.11948	2.9
191.03386	0.8
191.07062	2.0
191.10667	2.6
191.14301	100.0
192.14622	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01861	1.9
55.05510	7.5
57.07063	2.3
65.03899	1.2
67.05508	10.9
69.03426	16.3
69.07068	10.6
69.50636	7.5
71.01191	0.9
71.04986	1.9
75.35463	1.0
77.03908	1.1
79.05160	1.1
79.05497	11.6
81.07052	13.7
83.04982	9.7
83.08595	3.8
84.33415	0.9
85.06527	1.2
91.05479	12.3
93.07035	16.9
95.04964	11.2
95.08598	17.1
97.06541	5.9
97.67870	1.0
103.05457	5.8
105.07035	16.2
107.04971	5.0
107.07887	2.2
107.08590	41.2
109.06519	8.1
109.10129	3.1
111.08057	2.7
114.35870	1.2
117.06998	4.0
119.04926	1.2
119.08583	9.9
121.06506	17.0
121.10140	30.2
123.08073	6.3
129.07013	2.9
131.04904	3.9
131.08565	16.8
133.06458	1.8
133.10133	18.2
135.04398	1.8
135.08054	17.5
135.11678	9.0
137.09598	1.7
143.08569	4.6
144.09261	2.4
145.10127	9.3
147.08018	3.2
147.11690	17.1
148.05168	2.2
148.08795	5.0
149.05949	1.4
149.09622	16.0
149.13229	11.6
158.10904	8.2
161.09645	2.6
162.10413	1.8
163.07521	3.4
163.11172	1.9
163.14799	7.2
173.09711	1.2
173.13248	21.0
176.04785	1.2
176.11993	2.3
191.03348	2.2
191.07024	6.7
191.10658	3.9
191.14301	100.0
192.14554	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01852	0.8
55.05508	3.9
57.07071	1.5
65.03931	0.9
67.05505	7.4
69.03428	17.4
69.07063	8.8
69.36108	5.4
71.04973	0.8
71.18864	0.7
79.05487	7.4
81.07049	9.2
83.04977	9.5
83.08603	2.6
85.06495	0.9
91.05466	8.2
93.07037	12.9
95.04969	7.0
95.08599	10.5
97.06506	4.3
103.05450	0.9
105.07026	10.4
107.04961	4.0
107.08585	37.3
109.06509	5.5
109.10142	5.1
111.08080	1.1
115.05428	1.3
117.06988	2.5
118.59283	0.6
119.08566	11.7
121.06505	11.2
121.10130	24.8
122.00426	0.7
123.08044	2.6
129.06966	1.5
131.08545	13.5
133.06508	1.4
133.10115	19.4
135.08037	11.2
135.11668	7.5
135.12617	0.9
137.09570	0.9
143.08536	2.8
144.09251	0.9
145.10129	6.5
147.08011	1.7
147.11674	11.4
148.08815	2.4
149.09618	7.1
149.13251	10.9
158.10912	6.6
161.09558	1.8
162.05460	0.8
163.03949	0.7
163.14813	5.7
173.13261	20.5
176.12025	1.4
191.03430	1.2
191.06999	1.3
191.14294	100.0
192.14627	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01863	3.0
55.05508	5.7
57.07071	2.0
58.04684	0.8
59.04972	1.3
65.03953	0.9
67.05494	4.1
69.03426	16.2
69.07070	10.4
69.45141	6.3
71.04972	1.7
79.05489	10.7
81.07054	9.5
83.04973	10.7
83.08603	3.0
91.05474	10.8
93.07039	14.4
95.04950	3.5
95.08603	7.2
97.06519	2.0
98.21519	1.1
103.05453	7.0
103.69431	0.8
105.07029	12.1
107.04940	4.3
107.08591	32.4
107.09315	1.7
109.06512	5.8
109.10135	5.4
111.08075	1.0
115.05464	1.7
117.06999	3.2
118.04144	3.3
119.04950	1.5
119.06045	1.0
119.08571	10.6
121.06503	8.0
121.10137	17.4
123.08049	2.9
123.11675	1.3
129.06999	2.2
130.04158	1.2
131.04915	4.3
131.08560	14.4
133.02811	1.6
133.06447	1.0
133.10126	17.5
134.03508	0.9
135.04393	2.0
135.08046	15.6
135.11671	6.6
136.08817	1.3
137.09631	1.3
143.08548	4.0
144.09378	1.3
145.06511	1.2
145.10127	8.5
146.03613	1.0
147.08029	3.3
147.11682	12.8
148.05147	3.9
148.08899	1.3
149.05830	0.8
149.09615	7.6
149.13242	10.1
158.10963	5.5
161.09590	4.7
163.03938	1.7
163.07553	7.5
163.11176	2.0
163.14821	2.5
173.05865	0.9
173.09656	1.1
173.13257	17.5
176.04645	2.1
176.11952	2.7
176.13501	0.7
191.03377	3.7
191.07019	8.6
191.10744	5.6
191.14302	100.0
192.04163	2.8
192.14632	2.1
204.09973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01860	1.9
55.05511	8.2
57.03419	1.7
57.07069	2.6
57.97133	0.8
62.97487	0.8
67.05499	7.6
69.03425	23.2
69.07063	13.1
70.41377	2.5
70.41737	1.0
71.04971	2.6
76.15079	0.9
79.05491	10.1
81.07061	10.3
83.04977	16.6
83.08603	2.7
85.06527	1.5
91.05475	11.9
93.07038	11.9
95.04959	5.7
95.08608	11.0
97.06515	3.2
103.05473	1.3
105.07018	17.1
107.04985	4.2
107.08587	41.7
108.03522	0.9
109.06492	4.5
109.10158	10.6
111.08086	1.1
117.07008	2.5
118.04129	0.9
119.08578	10.5
121.06494	9.7
121.10139	26.9
123.08073	4.5
129.06979	2.0
130.07828	0.9
131.08556	16.8
133.06477	1.2
133.10124	63.7
134.10480	1.4
135.08047	19.4
135.11667	5.5
136.08803	1.5
137.09599	6.4
143.08560	7.3
144.09320	1.6
145.10109	9.7
147.08023	2.4
147.11664	11.0
148.08824	2.7
149.09613	7.6
149.13257	16.1
156.45087	0.8
158.10905	11.3
161.09595	6.7
163.07527	1.2
163.11156	1.2
163.14828	4.1
173.13255	27.8
176.11935	3.0
190.43271	0.9
191.14301	100.0
192.14619	1.9
194.42566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01857	1.7
55.05515	4.3
57.03422	1.2
57.07064	1.9
67.05519	2.6
67.45139	0.5
69.03430	15.1
69.07072	6.9
69.83715	1.1
69.84116	1.5
71.04971	0.9
79.05479	2.6
80.08730	0.5
81.07075	2.8
83.04499	1.0
83.04977	15.5
83.08614	2.2
85.06509	0.6
85.59988	0.5
91.05486	6.2
93.07057	5.6
95.04961	1.4
95.08604	3.5
96.44561	0.5
97.06512	2.7
97.44383	0.4
98.20775	0.6
105.07024	6.7
107.04953	0.7
107.08591	20.1
109.06502	2.7
109.10151	1.2
111.08052	0.9
115.05437	1.0
116.06248	0.6
117.07029	1.7
119.06126	0.6
119.08578	6.9
121.06516	6.0
121.10139	12.6
123.08054	1.6
129.07037	1.1
129.24391	0.6
131.08560	9.6
133.10133	12.2
135.08052	14.3
135.11681	2.2
136.08778	0.7
143.08566	3.3
144.09331	1.2
145.10103	5.6
147.08067	1.1
147.11693	5.9
148.08769	1.3
149.09628	4.8
149.13237	4.7
150.10274	0.5
158.10922	7.4
161.09645	4.6
163.14790	1.1
173.13269	16.9
176.11980	2.8
179.02272	0.6
191.14304	100.0
192.14641	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72923	0.8
55.01867	1.5
55.05509	5.4
57.07066	1.4
59.04988	1.0
67.05488	3.4
69.03052	1.2
69.03427	19.1
69.06731	0.9
69.07066	7.2
69.32298	6.5
71.04985	1.0
79.05477	3.9
81.07044	3.8
83.04980	15.9
83.08596	1.6
85.06515	1.0
88.80823	0.6
91.05479	6.6
93.07035	6.7
95.04955	1.2
95.08598	3.7
97.06509	1.5
105.07037	7.9
105.37308	0.8
107.04949	0.7
107.08590	26.2
109.06518	3.2
111.08018	1.0
115.05426	0.8
116.06184	1.2
117.07045	1.1
119.08579	7.8
121.06502	6.6
121.10151	11.9
123.08049	2.5
129.07007	2.6
130.07794	0.8
131.08551	12.8
133.09151	0.8
133.10129	11.7
135.08043	18.0
135.11670	2.5
136.08795	1.3
141.08910	0.9
143.08571	5.2
144.09323	1.2
145.10139	6.0
147.08011	1.5
147.11679	6.3
148.08853	1.1
149.09651	5.1
149.13248	4.5
158.10892	7.6
161.09621	6.4
163.14787	1.1
173.13278	15.3
176.11952	2.9
191.14294	100.0
192.14647	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03955	0.9
55.01863	1.5
55.05505	4.9
57.07061	2.1
59.04980	0.9
65.03937	0.6
67.05510	3.1
69.03426	16.6
69.07067	10.3
69.78869	3.1
71.04980	0.7
77.03932	0.7
79.05480	4.6
81.07047	4.3
83.04495	0.9
83.04977	15.4
83.08619	3.0
85.06539	1.0
91.05482	6.6
93.07040	8.1
95.04958	2.2
95.08611	5.3
97.06521	2.1
103.05505	1.1
105.07023	9.1
107.04943	1.7
107.08590	24.3
107.09317	1.3
109.06514	2.7
109.10137	2.1
111.08051	0.7
117.07004	1.9
119.08582	7.9
121.06502	6.2
121.10136	16.0
123.08051	1.6
129.06985	0.8
130.07771	0.6
131.04927	0.9
131.07587	1.0
131.08556	10.8
133.02866	0.8
133.10130	11.8
135.04413	0.9
135.08049	16.1
135.11674	5.0
136.08809	1.5
143.08553	3.4
144.09430	1.2
145.10098	5.6
147.11664	7.9
148.05133	0.9
148.08868	1.0
149.09621	5.1
149.13269	5.4
158.10905	8.4
161.09621	6.5
163.03851	1.4
163.07526	0.7
163.14775	1.9
171.51253	0.5
173.13251	14.9
176.11964	3.2
183.35960	0.6
191.03354	1.9
191.06967	1.5
191.14296	100.0
192.14645	3.0
201.62590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.51218	0.6
53.03958	1.5
55.05505	4.9
57.03431	0.9
57.07074	1.3
58.56852	0.6
67.05511	5.8
69.03430	15.6
69.07067	7.9
71.02624	0.9
71.02966	1.6
71.04963	1.0
79.05495	13.2
81.03423	1.2
81.07053	11.8
83.04973	6.1
83.08611	1.5
90.17437	0.8
91.05468	10.1
93.07043	10.3
95.04956	2.1
95.08612	6.7
97.06509	1.0
103.05460	1.5
105.07037	14.7
107.04936	8.1
107.08591	33.9
109.06520	2.6
109.10155	9.4
115.05456	1.5
117.07007	3.1
118.07791	0.9
119.08585	7.2
121.06496	4.9
121.10133	21.7
122.07286	2.5
123.08080	3.1
125.53060	0.8
129.06949	1.3
131.04913	0.8
131.06952	0.9
131.08562	11.9
133.10126	100.0
134.10487	1.2
135.04416	1.3
135.08057	8.6
135.11685	4.6
137.09615	14.3
143.08536	3.2
144.09305	1.8
145.10123	6.5
147.11693	4.9
149.09596	4.0
149.13248	16.2
158.10936	7.3
161.09651	1.8
163.03934	1.2
163.07541	1.1
163.14819	2.8
173.13257	21.3
176.11940	1.0
188.63293	0.7
191.03477	3.4
191.05037	0.7
191.14305	40.5
195.34726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	10476-41-2
Peak:m/z	Relative Intensity
50.19173	0.4
53.03943	0.4
53.04227	0.3
55.52783	0.3
56.96570	0.9
57.03448	0.3
57.66239	0.3
61.02913	0.4
65.03922	0.4
69.03397	0.4
69.84354	1.8
73.02905	0.5
79.05491	0.8
80.05028	0.4
91.05476	1.5
97.02889	0.4
98.97585	1.0
106.06558	2.7
106.88244	0.4
107.08636	0.5
110.97564	0.7
116.98604	0.4
117.05737	0.8
118.06537	4.3
119.01806	0.8
124.07590	0.4
128.98621	0.5
132.04495	0.4
134.06013	14.9
135.04379	0.4
145.07596	1.4
146.06007	20.5
147.04372	0.4
155.06042	2.3
156.06804	1.0
156.10512	0.4
162.05498	100.0
163.06125	2.6
163.08708	0.6
169.39276	0.3
172.06337	2.0
173.07104	21.8
174.05502	23.5
175.06241	0.7
191.08148	14.9
191.14355	0.6
192.08691	0.5
192.15271	0.3
197.29782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03918	0.5
55.01865	0.6
55.05502	2.7
61.60556	0.5
67.05492	1.3
67.33812	0.5
69.03090	0.7
69.03428	8.7
69.07079	2.4
70.86018	1.0
71.04987	0.7
79.05486	2.4
81.07034	2.0
83.04971	6.6
83.08591	1.0
91.05481	3.8
93.07039	3.2
95.05019	0.8
95.08587	2.5
97.06500	0.8
105.07012	4.8
107.04945	0.6
107.08586	10.8
109.06506	1.5
109.10134	0.6
111.08078	0.6
117.07016	0.9
119.08588	3.9
121.06527	2.6
121.10132	7.1
123.08081	0.6
131.08543	5.3
133.10106	7.7
135.08043	6.4
135.11691	0.7
143.08563	1.7
144.09312	1.2
145.10162	2.5
147.11658	2.7
148.08830	0.6
149.09630	2.7
149.13234	2.8
157.10110	0.5
158.10902	4.0
161.09602	4.5
161.80490	0.6
163.14822	0.6
173.13260	9.0
176.11971	1.0
191.14297	100.0
192.14655	1.9
204.05472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79491	0.6
53.03925	0.8
55.05506	6.8
57.07090	0.7
65.03934	0.6
67.05497	6.3
69.07071	10.4
71.11238	1.2
71.11600	0.6
71.35062	0.6
79.05485	4.2
81.07050	9.8
83.08611	4.6
91.05473	11.9
93.07043	5.3
95.04968	0.5
95.08600	28.8
103.05466	0.7
105.07025	37.2
106.07324	0.7
107.08585	10.9
109.10155	4.3
115.05499	0.7
117.06989	2.3
119.08571	51.5
120.08932	0.9
121.10145	5.8
124.22545	0.5
128.06200	0.6
129.07031	0.8
131.08553	8.2
133.10117	39.6
134.10423	0.5
135.11673	0.7
143.08543	1.3
145.10104	8.3
146.10890	3.5
147.11673	40.8
148.12061	1.0
149.02406	0.6
156.09331	2.9
159.11649	5.1
160.12457	2.5
161.13251	6.9
171.11641	3.0
174.14012	3.9
175.14815	1.7
187.14792	0.6
189.05417	1.9
189.09106	1.2
189.12798	5.8
189.16367	100.0
190.16637	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	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
58.73421	0.1
70.91064	0.5
80.39314	0.2
81.73108	0.2
82.42548	0.2
89.03905	0.9
107.04939	0.2
116.04974	3.0
120.04441	0.2
122.81296	0.2
134.06041	0.4
142.53438	0.2
144.04413	0.9
152.41270	0.2
162.05496	100.0
163.05864	2.1
174.74913	0.2
185.07025	0.2
190.04987	34.8
191.05315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96562	0.3
69.63655	1.0
73.13474	0.1
85.02888	0.2
89.03907	0.9
97.02859	0.2
97.86474	0.1
98.21509	0.2
98.97562	0.4
100.85485	0.1
113.31956	0.1
116.04195	0.1
116.04963	3.0
118.06504	0.2
134.06029	1.0
137.76454	0.2
144.04398	0.7
145.07506	0.1
146.06024	1.2
162.05493	100.0
163.05847	2.0
164.05943	0.2
172.06288	0.2
173.07123	1.2
174.05458	1.2
185.07033	0.2
190.04980	33.0
191.05316	0.9
191.08136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03924	1.1
55.05508	6.3
57.07076	0.7
65.03927	0.8
67.05500	7.5
69.03400	1.2
69.07066	9.5
71.50964	0.7
71.51340	0.7
79.05496	4.8
81.06597	1.0
81.07056	16.9
83.08607	4.2
91.05479	12.3
93.07031	6.7
95.04933	0.9
95.08604	37.2
96.08910	0.9
97.10145	0.6
103.05463	0.6
105.07027	42.8
106.34587	0.5
107.07880	1.0
107.08584	14.2
109.10143	7.8
115.05423	1.3
117.07000	2.4
119.08579	60.1
120.08894	1.0
121.06578	0.9
121.10137	7.5
128.06221	1.6
129.06987	2.0
130.07776	0.8
131.08565	7.9
133.06453	1.1
133.10124	51.9
134.10538	0.8
141.07025	0.7
143.08559	2.3
145.10120	8.2
146.10919	3.2
147.08022	2.1
147.11681	41.6
148.11940	1.0
149.02307	0.9
156.09351	3.6
157.06514	0.5
159.08067	1.2
159.11694	3.7
160.12442	2.3
161.05960	1.8
161.09618	1.6
161.13266	12.4
171.11664	5.7
174.06795	0.7
174.10394	1.4
174.14024	2.4
189.05417	3.8
189.09175	3.4
189.12764	11.5
189.16376	100.0
190.16637	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	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05502	5.6
57.55370	0.6
64.34604	0.6
65.03898	0.7
67.05500	12.2
69.07070	6.8
79.05482	6.5
81.07057	29.4
81.07535	1.6
83.04941	0.6
83.08606	1.6
84.05348	0.6
91.05479	15.5
93.07042	27.0
93.55087	0.6
95.04977	1.1
95.08603	53.9
96.08907	0.8
97.10132	0.8
99.25949	0.6
103.05463	0.7
105.07027	31.3
107.07886	1.1
107.08594	18.7
109.06455	0.6
109.10155	10.7
112.85206	0.6
117.06994	1.8
119.08580	38.9
120.08931	1.0
121.10110	4.5
125.20435	0.6
128.06258	1.0
129.07033	0.8
131.08571	5.8
133.06477	1.4
133.10127	43.4
134.10683	0.7
137.75742	0.6
143.08556	1.8
145.10121	4.6
146.10899	1.5
147.08073	1.8
147.11688	28.0
148.12059	0.7
156.09344	3.2
159.11702	2.3
160.12486	1.2
161.05975	1.0
161.09633	1.0
161.13255	8.9
162.05496	0.8
165.68921	0.7
171.11707	3.8
174.10364	1.1
174.13979	1.1
189.05434	2.4
189.09094	3.9
189.12778	11.5
189.16380	100.0
190.05019	1.0
190.16692	2.3
202.95715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03934	1.8
55.05510	8.9
57.07078	2.8
64.09209	0.9
64.63368	1.0
67.05493	10.3
69.07064	15.8
71.52336	2.1
72.00281	1.0
79.05475	6.8
81.07050	23.2
83.08597	4.6
91.05472	27.3
93.07034	17.8
95.04966	1.3
95.08601	37.0
103.05453	1.3
103.38684	1.2
105.07023	52.0
107.08587	18.7
109.09038	1.2
109.10149	10.5
115.05339	1.2
115.33153	1.0
117.06995	4.1
119.08571	77.6
121.10136	9.6
128.06226	1.3
129.07091	1.1
131.08546	8.0
133.10118	75.2
134.10480	1.2
141.07028	1.3
143.08522	2.9
145.10124	12.2
146.10872	3.0
147.08063	2.0
147.10524	2.3
147.11679	46.6
149.02303	1.4
149.39029	1.0
156.09326	3.4
159.11684	4.9
160.08727	1.0
160.12468	3.4
161.05980	1.2
161.13228	11.6
162.05495	1.1
171.11700	6.2
174.10341	1.8
174.14005	1.7
189.05403	3.2
189.09163	4.8
189.12779	11.4
189.16364	100.0
190.08533	1.7
190.16664	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.34675	0.9
53.03933	1.5
55.05512	7.8
57.07045	1.5
61.13594	1.1
67.05504	13.4
69.03426	5.2
69.07075	8.7
69.35819	8.9
79.05482	12.0
81.07054	38.6
83.02541	1.0
83.04969	1.1
83.08601	5.5
91.05480	29.2
93.07047	16.9
95.04945	2.7
95.08604	53.1
97.10133	1.7
98.20733	1.7
99.64600	0.9
103.05432	1.9
104.06229	1.0
105.03410	1.3
105.07027	72.7
106.07348	1.7
107.07896	1.5
107.08591	25.2
109.06511	3.8
109.10146	14.6
115.05436	6.6
116.06220	1.3
117.07008	7.3
118.07816	1.1
119.04928	2.1
119.08578	100.0
120.08891	1.6
121.02851	4.5
121.06465	1.5
121.10120	9.9
123.08037	1.0
123.11675	1.1
128.06221	6.4
129.06996	5.3
130.06480	1.6
130.07835	2.4
131.08562	14.7
133.06526	7.3
133.10124	74.4
135.07971	1.1
141.06981	4.6
142.07852	1.0
143.08537	10.1
144.09232	1.5
145.06482	2.7
145.10112	17.4
146.07242	1.9
146.10861	3.2
147.04420	1.7
147.08025	10.9
147.11678	47.7
148.11960	1.1
155.08530	1.3
156.08083	1.6
156.09344	23.4
157.06467	1.3
159.08052	4.4
159.11649	7.0
160.05212	1.3
160.08775	1.9
160.12448	1.6
160.77455	1.2
161.05968	14.6
161.09642	7.5
161.13261	22.9
161.14604	1.2
165.82834	1.0
171.08081	1.4
171.11688	27.6
174.06784	2.4
174.10400	8.4
174.14038	1.4
189.01831	2.0
189.05449	21.3
189.09090	17.6
189.12730	55.9
189.16368	86.5
190.08620	1.4
190.12515	1.4
190.16737	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.37416	0.4
52.86933	0.4
53.03926	0.5
53.52310	0.4
55.05512	6.0
57.07073	0.9
60.95021	0.4
67.05501	4.7
69.07065	9.7
69.51491	2.7
72.02143	0.4
79.05496	2.5
80.06667	0.4
81.07052	7.4
83.08622	2.6
91.05475	9.5
93.07052	4.3
95.08601	24.4
97.10142	0.6
99.83019	0.4
105.07025	30.7
106.07331	0.5
107.08590	10.1
109.10150	3.9
112.26067	0.4
116.31393	0.4
117.07020	2.0
119.08575	46.2
120.08919	0.9
121.10145	4.8
128.06209	0.5
129.63333	0.4
130.07826	0.5
131.08556	6.3
132.09424	0.5
133.10126	34.7
134.10561	0.5
135.11737	0.5
145.10109	8.4
146.10930	2.9
147.07996	0.8
147.11678	36.5
148.11989	0.5
156.09340	0.6
159.11661	4.4
159.87854	0.4
160.12491	2.2
161.09589	0.5
161.13254	6.2
171.11667	1.0
174.10378	0.5
174.14018	4.0
187.14783	0.7
189.12869	3.5
189.16371	100.0
190.16710	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
54.03466	2.5
55.05516	8.7
59.87716	1.7
66.03468	13.6
67.02995	2.5
67.05499	10.2
68.05029	2.1
69.04561	1.8
69.07066	15.3
71.01513	4.1
79.05480	5.0
80.05010	5.7
81.04527	5.0
81.07040	13.7
83.06085	2.7
83.08606	4.5
91.05479	15.0
93.04514	1.7
93.07027	7.7
95.06088	3.7
95.08608	58.3
105.07032	41.2
106.90524	2.6
107.06094	19.2
107.08577	17.9
108.05634	4.4
109.07641	7.7
109.10159	6.6
110.07170	4.3
117.06995	5.2
119.06113	2.0
119.08578	75.4
120.05563	3.5
121.07618	3.2
121.10113	5.2
122.07136	5.1
131.08549	11.0
133.06451	2.4
133.07587	1.9
133.10130	57.7
134.07097	3.3
145.10156	13.5
146.07167	2.7
146.10884	3.6
147.06715	3.5
147.11681	48.1
148.07549	2.3
148.08682	25.4
149.08218	6.7
149.09483	6.3
150.08990	7.5
156.09331	3.7
159.11671	5.3
160.12500	3.7
161.05946	2.6
161.08220	2.1
161.09674	2.1
161.13203	9.1
162.07791	3.5
162.10245	4.0
163.09712	2.1
171.11679	3.4
173.08238	2.9
174.14035	4.2
189.05359	2.6
189.09114	5.3
189.11343	20.3
189.12810	6.9
189.16383	100.0
190.10909	6.5
190.80588	1.8
190.98621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.3
67.05486	4.0
69.03435	5.3
69.07064	1.9
69.20730	7.9
69.21154	2.9
75.40350	1.0
79.05471	4.0
80.43961	1.0
81.07054	5.5
91.05484	9.1
93.07022	3.8
95.04996	1.6
95.08598	7.7
105.07020	21.6
106.21183	0.9
107.08567	6.9
109.10120	3.0
115.05439	1.3
116.06191	1.1
117.07018	6.1
119.07713	1.5
119.08572	29.2
121.02854	3.0
121.10115	2.7
128.06221	4.7
129.07016	6.1
130.07762	3.8
131.08565	8.2
133.06483	3.5
133.10117	14.0
141.06964	10.4
142.07784	1.2
143.08572	6.6
144.09352	2.0
145.06439	1.9
145.10130	15.1
146.10863	1.7
147.08073	10.2
147.11673	20.3
151.64847	1.1
155.08537	2.3
156.09337	59.4
157.06578	1.3
159.08015	7.0
159.11670	13.9
160.08868	1.3
161.05971	6.4
161.09618	3.3
161.13228	3.8
171.11673	65.8
172.12013	2.2
174.10390	11.3
189.05467	9.0
189.09169	6.6
189.12730	100.0
189.16336	13.7
190.12993	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.8
57.03419	0.9
65.62753	0.9
67.05516	1.5
69.03420	6.0
69.07058	1.2
69.89137	0.8
70.82518	2.3
79.05475	3.4
81.07050	3.4
83.04977	1.0
85.02910	1.5
86.17103	0.8
87.59241	0.8
91.05460	11.0
93.07025	3.4
93.07629	1.0
95.04967	1.9
95.08607	2.1
95.72299	0.8
103.05441	1.7
105.07022	18.2
107.08575	4.3
107.22086	0.7
115.05432	3.4
117.07011	6.0
119.04947	0.8
119.08573	25.3
121.06496	1.5
121.10120	1.0
128.06210	8.1
129.07002	6.7
130.06483	1.4
130.07793	4.6
131.08569	7.8
133.06473	3.3
133.10118	9.1
141.06970	10.7
143.08551	10.1
144.08134	1.1
144.09323	2.9
145.06516	2.2
145.10107	19.7
146.07173	0.8
146.10835	1.4
147.04401	6.6
147.08047	11.1
147.11684	17.3
153.12694	1.1
155.08542	2.8
156.09334	65.3
157.06422	1.4
157.09778	1.9
159.08058	5.5
159.11682	17.9
160.05168	1.7
160.08794	2.3
161.05934	6.2
161.09589	4.9
161.10820	0.9
161.13301	4.1
162.05492	2.7
171.04369	1.8
171.11673	80.8
172.12041	2.4
174.06750	2.7
174.10400	10.5
175.07021	1.0
189.05365	7.3
189.09131	9.9
189.12727	100.0
190.04970	1.4
190.08618	1.0
190.13026	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30058	0.8
53.03925	1.9
55.01855	1.6
55.05507	9.4
65.03929	1.3
67.05497	5.8
69.03426	16.8
69.06750	0.8
69.07071	10.1
69.39075	7.6
79.05488	8.7
81.03406	0.8
81.07045	8.1
83.04971	3.2
83.08619	1.1
91.05471	25.1
93.06494	1.1
93.07037	13.1
95.04969	4.0
95.08591	10.9
97.06489	1.5
99.00024	0.8
103.05447	2.5
105.07023	60.1
107.04941	2.2
107.07963	1.2
107.08591	11.1
109.06506	3.0
109.10133	1.7
115.05450	5.4
116.06229	1.1
117.07013	10.6
119.04930	8.4
119.08574	82.5
120.08874	1.3
121.06527	4.5
121.10172	3.8
128.06204	10.1
129.06993	11.7
130.07776	3.7
130.48051	0.9
131.04890	1.3
131.08557	15.9
132.05693	1.4
132.09091	1.0
133.06497	8.8
133.10114	33.6
135.08035	7.8
141.06961	5.9
142.07765	3.6
143.04842	1.0
143.08540	21.9
144.09271	1.2
145.06494	4.4
145.10120	14.0
146.03613	1.6
146.07243	2.6
146.10844	3.0
147.08029	25.9
147.11674	43.6
148.08377	1.1
148.11971	1.0
149.09485	1.4
155.08525	1.5
156.09337	31.7
157.06509	1.4
159.08043	12.8
159.11713	5.9
160.05186	1.8
160.08846	4.7
160.12390	0.9
161.05989	10.5
161.09592	15.7
161.13246	27.0
162.05339	0.9
162.13544	1.2
171.11670	37.1
172.11969	1.2
173.09625	1.0
174.06709	3.0
174.10406	13.1
174.14076	1.0
175.14783	0.8
189.05486	5.1
189.09145	13.8
189.12729	100.0
189.16347	31.1
190.04965	1.3
190.13074	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39484	1.0
54.71949	0.8
55.05503	2.6
59.05596	0.8
67.05489	2.2
69.03419	5.8
69.07064	1.6
69.30800	4.2
69.31231	4.8
70.51174	0.8
79.05486	3.9
81.07052	3.8
83.04976	1.1
91.05471	11.3
93.07024	3.3
95.04926	2.0
95.08600	3.8
103.05476	1.5
105.07029	21.3
107.08550	4.6
109.06496	1.4
109.10138	1.7
109.62287	0.9
115.05436	3.4
117.07021	5.2
119.04861	0.9
119.07708	1.5
119.08574	26.7
121.06484	1.3
121.10134	2.5
128.06186	4.3
129.07016	5.9
130.07759	5.8
131.08557	8.4
133.06517	4.3
133.10123	15.4
141.06993	11.7
142.07797	1.4
143.08565	9.3
144.09323	3.0
145.06451	1.8
145.10124	18.7
145.26929	0.9
146.10767	1.1
147.08041	9.2
147.11693	16.7
155.08551	3.2
156.09346	61.5
157.09752	2.1
159.08051	6.4
159.11708	16.4
160.08815	2.2
161.06007	2.4
161.09624	2.9
161.13193	5.0
171.11688	74.7
172.12082	2.1
174.10364	11.3
189.05531	1.9
189.09093	3.8
189.12738	100.0
189.16322	9.0
190.13055	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
53.16041	0.6
55.05492	1.9
57.07062	0.6
57.36419	0.6
67.05492	0.8
69.03429	5.6
69.07062	1.1
70.92777	1.0
71.10863	0.6
74.04136	0.6
79.05480	2.4
81.07047	2.7
83.04962	0.7
91.05482	7.0
93.07026	2.5
95.08590	2.6
98.21542	0.6
103.05440	1.4
105.07032	16.6
107.08572	3.6
115.05441	2.6
117.07023	4.2
119.05000	0.9
119.08575	21.0
121.06516	0.9
121.10117	1.8
128.06216	3.8
129.06984	6.0
130.07794	3.6
131.04904	0.6
131.08556	8.1
133.06473	2.1
133.10133	10.3
141.06993	11.9
142.07739	1.3
143.08554	6.2
144.08070	2.2
144.09344	1.9
145.06462	1.1
145.10124	17.7
146.07217	1.2
146.10904	1.6
147.08061	6.6
147.11690	14.2
155.08556	3.9
156.09337	58.2
157.06465	1.0
157.09666	1.5
159.08061	6.9
159.11691	14.4
160.08830	2.0
161.05963	5.2
161.09636	4.9
161.13242	2.4
171.11681	68.4
172.12016	2.7
174.06758	1.3
174.10402	9.8
183.18704	0.6
186.79240	0.8
189.05418	2.5
189.09180	7.9
189.12737	100.0
189.16257	5.6
190.04427	1.2
190.13055	3.2
207.02875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01866	0.7
55.05506	5.7
57.07059	1.1
59.47011	0.5
59.93888	0.7
60.65436	0.6
61.13619	0.6
65.03943	0.7
67.05500	4.9
69.03419	4.1
69.07069	6.2
69.88455	3.6
77.03925	0.9
79.05498	6.1
81.07050	8.0
81.69174	0.6
83.04968	2.1
91.05477	16.9
93.07035	5.5
95.04951	2.5
95.08611	8.2
97.06511	0.7
103.05444	1.6
105.07028	31.9
106.07315	0.7
107.04930	1.4
107.08585	8.1
109.06488	2.2
109.10133	2.6
111.08147	0.8
115.05440	3.0
117.07035	6.3
118.07747	0.6
119.04927	2.2
119.08578	51.6
120.08842	0.7
121.06504	2.0
121.10123	4.5
128.06213	5.0
129.06990	7.4
130.07739	1.8
131.04922	2.6
131.08562	10.5
132.05685	0.7
132.09315	0.7
133.06496	6.0
133.10123	43.7
134.10477	0.9
135.08040	4.3
135.11673	0.7
141.07007	6.5
142.03075	0.6
142.07771	1.6
143.08572	7.3
144.09253	1.5
145.06493	5.8
145.10127	7.8
146.07278	3.3
146.10899	3.0
147.08047	17.2
147.11678	33.9
148.05194	1.1
148.12045	0.8
149.09576	2.1
153.06967	0.7
155.08588	2.9
156.09338	39.8
157.06497	1.3
157.09639	1.5
159.08051	26.6
159.11682	10.6
160.05266	1.0
160.08803	6.9
161.05972	8.7
161.09612	15.2
161.13245	23.2
162.13644	0.9
169.07790	0.7
171.11685	34.9
172.11990	1.4
173.09645	1.4
174.06784	2.6
174.10396	55.0
175.10791	1.3
187.11182	0.8
189.09135	13.2
189.12735	100.0
189.16357	23.0
190.13094	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
62.94199	1.1
67.05499	1.5
69.03419	5.5
69.17419	14.1
71.62347	1.0
79.05499	1.7
81.17094	1.1
81.29134	1.2
91.05482	10.2
93.07024	2.0
95.04987	1.3
103.05437	1.3
103.36817	1.1
105.07033	13.8
107.08614	2.3
115.05444	2.3
117.07031	3.8
119.08572	22.1
121.06403	1.2
121.10119	2.0
128.06213	4.6
129.06984	5.0
130.07773	4.9
131.08536	7.2
133.06450	2.0
133.10104	7.6
135.07990	1.6
141.06956	7.4
143.08539	7.1
144.09303	2.2
145.06477	2.7
145.10136	16.2
146.07265	1.6
146.10791	1.2
147.08058	7.8
147.11674	17.2
155.08549	3.2
156.09335	51.3
159.08022	7.0
159.11703	9.5
160.08795	2.1
161.05969	3.9
161.09575	6.3
161.13254	4.2
171.11684	63.9
172.12000	1.6
174.10396	15.0
189.09206	5.7
189.12730	100.0
190.13075	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05519	4.1
57.03449	1.0
57.07067	1.0
61.66527	0.7
67.05498	2.0
69.03422	4.1
69.07059	3.0
71.03049	2.2
79.05495	6.1
81.07059	5.3
83.04990	2.1
91.05466	11.5
93.07031	3.5
95.08598	2.5
99.02679	0.9
103.05452	1.2
105.07027	24.4
107.04942	0.9
107.08576	5.4
109.06516	2.7
115.05431	3.1
117.07007	4.5
119.04898	1.4
119.08574	36.5
121.06487	2.0
121.10123	3.3
128.06204	4.5
129.07005	8.0
130.07735	1.1
131.08572	10.6
133.06499	7.2
133.10123	34.3
134.10435	1.1
135.08031	6.6
141.07011	8.3
142.07759	1.5
143.08540	8.4
144.05615	1.0
144.09258	1.6
145.06433	5.0
145.10126	6.5
146.07251	1.8
147.08041	18.8
147.11676	19.7
149.09605	2.8
155.08551	3.2
156.09340	45.8
157.09612	1.8
158.07227	1.2
159.08051	30.2
159.11659	11.6
160.05144	2.5
160.08859	7.9
161.05956	5.3
161.09612	10.1
161.11874	0.8
161.13261	22.1
171.11673	39.0
173.09637	1.7
174.06894	5.0
174.10397	64.8
175.10767	1.8
187.11203	0.9
189.05440	3.3
189.09158	13.0
189.12732	100.0
189.16357	2.5
190.13100	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73947	1.9
63.92028	1.8
69.03415	5.2
69.46513	1.7
69.54996	1.8
70.78207	4.1
70.78558	2.9
79.05495	2.5
80.92101	2.5
90.97649	1.8
91.05468	6.1
97.89397	1.8
105.07019	10.5
107.08598	3.6
113.14571	1.9
117.07017	4.7
119.08586	16.3
128.06223	2.5
129.06987	3.8
130.07790	5.3
131.08540	7.1
133.10110	6.7
141.07019	9.4
143.08540	7.2
145.10130	20.8
147.04413	6.8
147.08057	5.1
147.11655	15.7
155.08511	4.5
156.09344	75.5
159.08044	5.4
159.11710	17.1
161.05925	2.8
161.09557	3.5
161.13315	2.8
171.11691	93.7
171.13196	4.4
172.11971	2.5
174.10376	12.4
189.05502	3.9
189.12732	100.0
190.13042	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.02403	0.4
53.18900	0.4
55.01848	0.4
55.05531	0.4
56.05038	0.5
56.96564	1.1
57.03434	0.3
60.04527	0.7
63.24953	0.4
67.05506	0.5
70.56543	1.3
72.98820	0.4
84.04504	3.2
85.02904	0.6
91.05472	5.1
98.97549	0.4
100.07623	0.5
103.05512	0.8
105.07050	0.6
110.06041	0.4
115.05453	6.0
116.98607	0.5
117.05756	1.5
117.07018	4.3
118.06539	71.7
119.06883	1.6
128.04965	0.5
130.06528	0.8
132.08083	1.5
135.59354	0.4
142.06508	7.2
142.08626	0.7
143.07306	13.1
144.04472	0.8
144.08081	23.6
145.06448	0.9
145.08427	0.6
146.06004	100.0
147.06351	2.3
155.05997	0.9
160.07599	2.4
170.04543	0.3
170.06007	8.9
188.03682	1.2
188.07051	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.95335	0.4
70.95666	0.5
72.33704	0.3
84.04494	0.3
91.05478	3.3
103.05445	0.3
115.05447	3.9
117.05743	0.9
117.07013	3.9
118.06535	59.1
119.06888	0.9
128.25490	0.3
132.08170	0.7
142.06522	4.9
143.07291	8.4
144.04457	0.5
144.08081	23.7
145.06491	0.3
145.08446	0.6
146.06003	100.0
147.06337	2.0
155.06047	0.5
160.07553	0.8
170.06012	8.4
188.07054	19.4
189.07501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41713	0.3
70.90934	0.3
70.91294	0.9
72.08974	0.3
84.04503	1.9
85.02888	0.4
89.07686	0.3
91.05472	4.3
102.93307	0.3
103.05479	0.3
115.05446	6.8
117.05743	1.5
117.07003	4.1
118.06535	72.5
119.06876	1.4
132.08075	0.9
142.06516	6.2
143.07300	11.6
144.04430	0.9
144.08081	23.1
145.06436	0.8
145.08398	0.5
146.06003	100.0
147.06371	2.0
155.06015	0.7
160.07584	1.2
170.06007	9.1
188.07063	20.2
189.07472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05500	0.8
57.07082	2.3
67.05499	2.0
69.07066	2.7
69.49657	1.1
69.50069	3.1
79.05489	1.9
81.03423	0.5
81.07052	4.0
84.04517	0.8
88.02175	0.6
91.05473	11.6
93.07042	2.9
95.08604	4.6
97.06102	0.5
102.12816	0.8
103.05448	0.8
103.60170	0.4
105.07027	13.6
107.08582	2.0
112.50712	0.4
115.05414	1.1
116.06211	2.7
117.07018	8.9
119.08578	15.8
128.06241	1.5
129.06985	3.3
130.07774	6.5
131.08563	28.7
132.08902	0.5
133.10124	1.6
140.10976	0.4
141.06999	0.8
143.08568	8.0
144.09354	3.1
145.10118	100.0
146.10455	2.1
157.10162	6.4
158.07178	0.5
158.10912	4.8
159.08047	1.2
159.11690	14.9
170.10857	0.7
172.08836	0.9
172.12457	5.7
185.13297	0.7
187.03873	0.5
187.07533	1.1
187.11339	3.4
187.14810	74.8
187.22508	7.0
188.15186	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
57.07074	1.7
67.05501	1.8
69.30523	5.5
79.05492	1.8
81.03410	2.1
81.07048	3.6
84.04510	1.0
85.02892	1.2
88.02215	1.9
91.05479	11.8
93.07033	2.0
95.08582	1.6
95.58025	0.6
97.02911	0.6
98.20789	1.1
103.05460	0.8
105.07033	10.1
106.45096	0.6
107.08569	1.2
115.05464	1.8
116.06227	4.0
116.46037	0.7
117.07018	7.1
119.08579	12.3
128.06245	2.3
129.07022	4.5
130.07797	5.0
131.08559	36.8
133.10112	3.1
141.06972	0.9
142.07753	0.9
143.08574	8.0
144.09349	3.5
145.10115	85.8
146.10471	2.3
155.21149	0.7
157.10126	15.9
158.10875	7.2
159.11685	14.8
170.10887	1.1
172.08849	0.8
172.12457	20.1
185.13240	1.0
187.03862	0.8
187.07596	1.8
187.11353	3.4
187.14807	100.0
188.09099	0.7
188.15155	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	187.1327
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.71841	1.3
53.03934	1.6
55.05497	4.4
57.07055	2.2
59.04990	2.9
63.89102	1.1
67.05495	5.0
69.03432	3.1
69.07064	21.8
69.64988	7.4
71.04986	26.1
72.08166	1.2
74.83311	1.1
74.96562	1.4
79.05080	1.7
79.05495	21.6
81.03394	2.7
81.07050	100.0
82.07368	2.5
83.04982	5.7
84.04509	2.2
84.08134	1.3
85.02882	1.6
85.06535	1.5
87.08077	1.2
88.02228	1.1
89.06032	1.9
91.05463	4.0
93.07026	6.0
95.04955	3.1
95.08589	4.4
97.06534	6.7
97.10139	1.5
98.21426	1.6
99.04425	1.5
99.08081	5.2
105.07018	3.3
107.08589	12.6
109.02839	1.5
109.06527	3.6
109.10152	16.6
111.08057	2.1
111.11707	7.9
115.05453	2.3
117.06980	1.5
118.06538	5.5
121.10133	1.8
123.11697	18.2
124.98918	1.3
127.03898	10.6
131.04863	1.2
131.08562	2.8
133.10135	2.7
138.65799	1.1
139.11200	6.8
141.05444	2.2
142.06532	1.6
144.08031	2.3
145.10080	3.0
146.06027	7.9
151.11194	11.4
155.03395	9.5
157.06540	1.1
157.12222	2.8
159.07986	2.2
159.11714	2.9
169.12242	4.2
170.05962	1.6
187.03815	1.7
187.07524	3.9
187.11156	5.0
187.14816	3.7
188.07088	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.19017	0.6
55.05505	1.9
55.74194	0.6
56.05033	0.6
57.07067	3.6
60.55514	0.7
64.04444	0.6
64.51635	0.6
67.05507	2.6
69.03444	1.3
69.07069	3.2
71.52283	0.9
79.05488	3.2
81.03418	1.4
81.07059	6.0
81.21954	0.6
83.08617	1.2
84.04500	0.7
85.02914	0.9
88.02213	3.5
90.83440	0.6
91.05478	10.9
92.86185	0.6
93.07044	4.1
95.04972	0.8
95.08611	5.5
100.07664	0.8
103.05468	1.5
105.07022	14.3
107.08582	2.6
115.05419	1.6
116.06262	1.2
117.07019	12.4
119.08578	24.6
128.06216	2.0
129.07016	5.9
130.07784	7.2
131.04918	0.7
131.08559	29.2
133.10118	4.0
141.06978	1.6
142.07710	0.9
143.08549	8.4
144.09285	2.8
145.10117	100.0
146.10475	2.8
157.10123	10.9
158.10913	6.4
159.06879	0.9
159.08098	1.5
159.11687	19.4
159.34662	0.7
172.08850	1.1
172.12450	9.3
173.00775	2.1
187.03841	0.9
187.07544	2.2
187.11256	6.9
187.14809	77.6
188.15129	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	186.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
53.56022	0.3
55.01863	1.7
55.05490	1.3
56.05038	2.6
57.07059	0.8
60.04276	0.4
60.04529	3.6
60.22580	0.3
61.02908	1.6
67.60765	0.3
68.05031	2.1
69.03432	4.7
69.43568	2.5
69.43988	0.7
70.06591	2.4
71.04979	1.4
72.04500	1.1
80.05025	3.0
81.03413	6.7
81.07045	0.5
82.02948	0.6
82.06563	0.8
83.01343	1.9
83.04972	1.5
84.04499	9.1
85.02915	3.0
86.06070	0.6
88.02225	0.3
91.05441	0.4
95.08612	0.4
96.04488	26.9
97.02288	0.6
97.02884	6.9
97.05294	0.4
98.02420	0.7
98.06050	15.1
99.04460	2.8
100.03986	0.9
101.02420	0.5
108.04457	1.9
109.02880	7.7
110.06028	0.8
112.07651	0.4
114.05534	6.7
116.07075	0.8
117.06998	0.7
119.08589	0.4
122.06032	0.5
124.03969	1.7
126.05515	31.4
127.03918	4.2
127.05872	0.5
129.07072	0.5
131.04852	0.4
131.08554	1.5
138.05493	100.0
139.01852	0.5
139.05843	2.5
140.07027	1.0
143.08537	0.7
144.06557	36.0
145.02769	0.4
145.06897	0.5
145.10121	3.7
148.86140	0.3
156.06580	0.7
157.10158	0.5
159.11771	0.6
163.01848	0.8
168.06554	9.3
171.11607	0.9
173.00829	0.9
181.02858	1.1
186.07622	13.5
186.09015	0.5
186.13808	0.8
186.18547	0.8
186.22176	2.2
187.03879	0.5
187.11160	0.5
187.14833	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	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00306	0.9
53.03926	1.2
55.05497	2.4
57.03429	1.2
57.07065	2.2
59.05001	9.3
61.28270	1.0
64.99428	1.0
67.05486	4.3
69.03403	1.8
69.07074	6.4
69.22937	11.1
71.04990	56.6
79.05076	1.3
79.05492	13.9
81.07051	45.6
83.04993	1.9
85.02876	1.1
85.91603	0.9
89.03905	1.5
91.05479	2.3
93.07044	15.7
95.04953	3.3
95.08603	13.4
97.06538	9.9
105.07042	7.1
107.04945	2.8
107.08601	6.0
109.10099	1.7
111.04437	1.0
114.05483	1.5
117.03367	3.2
119.08573	1.2
121.10143	100.0
122.10430	1.1
123.08038	2.0
123.11701	23.6
125.02361	1.3
125.05988	19.0
125.09604	2.9
128.06194	1.9
129.06987	3.5
139.11168	34.6
142.07750	3.3
143.08545	3.0
145.02841	3.6
149.09619	6.0
149.13266	1.2
155.08565	1.4
157.06506	1.8
157.10114	3.7
167.10689	12.8
170.10886	3.1
185.04347	1.3
185.05943	1.4
185.09660	3.1
185.11720	9.5
185.13290	4.8
186.07443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
55.05504	5.5
57.03424	1.6
57.07063	3.0
57.77418	1.1
59.04995	6.8
67.05493	4.5
69.03409	1.6
69.07060	6.9
69.24323	7.1
69.24748	4.7
71.04987	46.8
78.00008	1.0
79.05483	12.3
81.07050	44.6
81.07536	2.2
83.04959	2.1
83.08602	1.7
85.02890	2.5
89.03899	6.3
91.05472	5.0
93.07034	18.6
93.07570	1.7
95.04958	5.2
95.08604	14.6
97.06521	13.5
97.10146	2.4
103.05439	2.0
105.07022	11.3
105.90312	1.0
107.04912	2.4
107.08605	5.9
111.04417	2.0
114.05511	1.7
115.05463	1.9
117.03381	12.7
119.08605	2.0
121.10135	100.0
122.10466	2.6
123.08078	2.7
123.11694	23.0
123.12572	1.4
125.05962	16.4
125.09615	2.1
126.05515	2.0
128.06233	4.4
129.06995	7.7
130.06511	2.3
139.11168	34.1
140.07074	1.2
141.06979	3.2
142.07765	10.7
143.08528	12.7
143.09450	1.4
145.02837	19.1
149.09584	8.0
155.08537	3.8
156.09312	3.0
157.06477	3.3
157.10107	12.1
158.06061	5.5
161.24342	1.1
167.03276	1.4
167.10672	14.9
170.07275	1.8
170.10910	9.5
177.01604	1.1
181.02925	1.4
185.05934	2.6
185.08147	1.5
185.09535	7.5
185.11700	7.8
185.13257	21.9
186.05466	5.7
186.07669	2.6
188.37025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.02079	0.9
53.03926	1.5
54.70878	1.0
55.05500	3.7
57.03418	1.3
57.07065	2.5
59.05000	7.8
67.05502	6.6
69.03416	2.6
69.07063	8.9
70.05433	4.8
71.04991	47.5
72.08145	2.2
78.47005	1.1
79.05489	16.6
81.07055	44.8
83.04977	3.6
85.02908	3.2
85.06528	2.4
86.09707	3.0
91.05469	2.8
91.33451	1.1
93.07038	16.1
95.04960	4.1
95.08600	17.8
96.45271	1.2
97.06528	13.3
98.07164	1.1
98.21421	1.7
102.63852	1.1
105.07030	6.0
107.04990	1.3
107.08604	8.3
109.10154	1.3
111.04469	1.1
111.08070	1.5
114.05531	2.2
116.27045	1.3
121.06564	5.2
121.10140	100.0
122.10516	1.2
123.08037	3.5
123.11699	23.9
125.05984	21.4
125.09600	4.6
126.05534	1.4
128.06177	2.5
129.07002	4.2
131.08548	1.2
139.01779	1.3
139.11174	41.1
142.07768	1.9
143.08540	2.4
144.71344	1.0
149.09610	6.4
155.08557	1.2
156.09338	1.4
157.05321	1.5
157.06453	7.8
157.10150	2.5
167.07008	3.9
167.10660	18.5
168.07616	1.8
168.11330	1.9
179.36864	1.1
179.80441	1.0
181.02937	1.7
185.04495	2.3
185.05948	5.5
185.07722	1.2
185.11708	9.0
185.13321	2.9
190.39995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00303	1.4
53.03936	1.4
55.05504	7.1
55.36633	1.5
57.07064	2.5
59.05003	10.0
67.05504	8.8
69.03417	3.6
69.07051	8.6
69.62790	9.1
71.04610	2.7
71.04993	46.8
72.08157	1.1
79.05489	16.5
81.07055	53.3
83.04974	4.4
83.08642	1.3
85.02881	3.1
85.06553	2.3
87.28143	1.2
91.05493	3.0
93.07037	17.3
95.04951	5.0
95.08604	17.1
97.06525	16.5
98.21425	2.0
101.06001	1.8
105.07020	9.8
107.01272	1.2
107.08575	7.1
109.06489	1.9
111.04471	1.6
111.08132	1.6
113.05983	2.9
114.05525	1.9
121.06524	1.7
121.10139	100.0
122.10490	1.6
123.08046	2.0
123.11696	27.0
125.05197	1.5
125.06008	15.9
125.09603	7.8
126.03107	2.6
139.11174	39.0
143.08517	1.5
149.09599	8.7
153.01909	2.9
157.10164	1.8
166.39876	1.2
167.10678	14.6
168.11235	2.1
181.02864	2.2
185.02704	2.0
185.04437	1.2
185.11707	6.6
185.13223	3.1
186.07628	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	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00296	1.1
53.03954	1.1
55.01862	1.6
55.05508	4.9
56.96539	1.0
57.03435	1.3
57.07065	3.5
57.24368	0.9
59.05000	10.0
65.03946	1.5
67.05509	8.1
69.03420	3.0
69.07062	8.3
70.06584	1.1
70.90663	2.0
71.04990	45.1
72.08139	2.6
78.29000	1.1
79.05492	18.6
79.48709	0.9
81.03365	1.4
81.07053	46.1
82.07392	1.1
83.04970	4.0
84.04484	1.5
84.94624	1.2
85.02898	2.9
85.06525	1.9
86.03610	0.9
86.06063	1.1
91.05467	3.9
93.07037	18.0
95.04953	7.8
95.06010	1.0
95.08598	16.5
97.02922	1.5
97.06530	12.4
97.07661	1.1
97.10149	2.3
99.04446	1.6
101.21265	1.0
105.07030	8.0
107.01279	1.3
107.04926	2.2
107.08595	12.1
109.02856	1.2
109.06511	3.4
109.10143	1.9
111.04412	2.8
111.08026	1.5
113.05960	1.2
114.05486	2.9
119.08584	1.8
121.06462	2.6
121.10139	100.0
122.10479	2.4
123.08044	2.8
123.11708	21.7
125.02375	2.1
125.05980	16.5
125.09615	5.8
126.03155	1.1
126.05505	2.4
127.03905	1.1
127.08718	1.2
128.06227	2.0
129.06950	2.4
138.05522	1.3
139.03871	2.9
139.07477	1.3
139.11185	31.8
140.11491	1.2
141.05479	1.0
142.07758	2.1
143.07407	1.1
143.08551	3.9
149.02306	1.3
149.09607	8.5
157.04933	1.8
157.10114	2.1
163.01720	1.6
167.03394	4.2
167.06952	1.3
167.09305	1.9
167.10660	16.0
168.11278	1.8
170.10953	1.4
181.02846	3.0
182.18823	1.1
185.04506	5.3
185.09511	1.3
185.11681	8.3
185.13306	5.1
196.85027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58905	0.4
69.92616	1.8
82.99844	1.1
91.23563	0.3
101.00879	21.6
102.00965	0.6
118.03486	0.4
119.01920	100.0
120.01997	4.5
124.02484	1.8
137.02953	33.3
138.03058	1.2
142.03496	23.7
143.01936	0.4
143.03696	1.8
160.04549	7.1
161.02972	7.7
161.04669	1.6
165.05115	0.7
177.00909	0.4
179.04005	9.1
179.05598	0.7
184.04536	0.8
202.05600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
53.03933	0.4
55.01871	0.4
55.05515	0.7
56.05029	0.7
56.96561	3.4
57.03434	0.5
58.99883	0.3
59.06098	0.3
60.04532	0.3
65.03939	3.1
67.05482	0.6
68.05003	0.3
69.03420	1.1
70.06582	1.0
71.02754	0.6
72.04546	0.2
72.08145	0.5
73.02921	1.0
80.05003	0.4
81.03402	0.5
82.06578	0.8
82.99860	0.4
83.06084	0.4
84.04517	0.3
85.02901	1.1
86.09724	0.3
92.05000	2.5
93.03427	0.3
94.06579	0.4
95.04958	0.5
96.04478	0.5
96.05276	0.5
96.08117	0.2
97.02913	1.4
98.97583	2.3
101.00880	6.3
101.95028	2.0
102.00981	0.7
103.00600	0.2
104.04991	0.6
105.03446	0.3
109.07637	0.5
110.06029	1.9
110.07172	0.4
110.97572	0.7
111.52988	0.3
116.98626	1.7
117.46294	0.2
118.03526	0.5
119.01917	40.8
119.96058	0.8
120.01997	1.7
120.04456	1.7
120.97899	0.3
121.01634	0.5
122.02365	0.6
122.06017	0.3
123.04393	0.8
124.02505	0.3
124.03965	0.3
124.07595	0.4
125.02379	0.2
128.02313	0.5
128.98590	0.5
130.02896	0.3
131.01927	0.4
132.01964	0.3
133.01624	0.4
134.99646	0.7
136.07582	0.7
137.02953	15.0
137.97121	0.6
138.03114	0.7
138.05495	6.9
138.06555	0.4
138.09085	0.4
139.01555	0.3
142.03493	7.6
143.00137	0.5
143.01855	0.5
143.03616	0.7
145.03369	0.3
146.99683	0.5
148.03926	93.4
149.04286	1.6
154.01917	0.3
155.04684	0.4
156.07698	0.2
157.03413	0.4
160.04550	3.1
160.98828	0.2
161.01335	0.6
161.02945	3.8
161.04466	0.8
161.06613	0.5
161.34651	0.3
162.03017	0.3
165.05032	0.3
166.04994	100.0
167.05344	1.5
174.02980	0.3
179.02487	0.4
179.04002	3.9
179.05463	0.5
179.07610	0.3
180.04083	0.5
184.04648	0.7
184.06058	12.6
184.09550	2.4
184.10706	0.3
202.05594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.05493	0.3
56.05020	0.5
56.96566	3.6
57.03427	1.0
57.89430	0.2
58.99854	0.5
61.02926	0.7
69.03421	1.2
70.06575	0.5
70.45867	0.4
70.46217	0.8
70.98126	0.3
72.08161	2.5
73.02929	1.5
79.05470	0.3
80.94941	0.4
82.06571	0.3
82.99847	1.1
83.06079	0.4
85.02898	1.4
86.09755	0.3
95.06073	0.4
97.02883	1.6
98.97577	2.1
99.04443	0.5
100.02468	0.6
101.00875	21.5
101.95039	0.7
102.00986	1.1
102.02292	0.3
102.96846	0.3
103.00639	0.5
103.02360	0.3
110.07192	1.4
113.00797	0.3
115.02431	0.8
116.98637	0.8
118.03526	0.9
119.01917	100.0
119.96059	0.5
120.02003	4.8
121.01639	0.6
121.02386	0.3
121.97570	0.6
123.06856	0.5
124.02451	1.4
124.93919	0.3
127.03883	0.3
128.98653	0.3
131.01915	1.1
132.01953	0.6
133.01645	1.2
133.03464	1.0
134.99655	0.4
136.07573	1.6
137.02951	34.5
137.08340	1.3
138.03073	1.8
138.05490	1.2
142.03494	20.2
142.96585	0.3
143.00169	0.3
143.01903	1.7
143.03670	2.2
144.01996	0.5
145.03455	0.5
146.99673	0.4
148.03905	0.6
148.07553	0.3
149.02840	0.4
151.02654	0.5
156.03320	0.4
156.05043	0.4
156.07692	0.8
157.01631	0.4
160.04550	7.2
161.01540	0.6
161.02957	10.3
161.04620	1.7
161.06592	0.6
162.03094	0.4
163.02740	0.6
165.05141	0.7
166.05022	0.8
166.08630	3.8
173.02954	0.6
174.03114	0.6
179.02327	0.6
179.04004	10.9
179.05568	0.9
179.07544	0.3
180.04054	0.5
183.97537	0.5
184.04584	1.9
184.06093	0.6
184.09677	8.0
184.11143	0.5
186.03102	0.4
187.02625	0.4
202.05530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
51.02381	1.7
52.33130	1.3
53.03947	15.8
55.01871	10.0
55.05509	10.7
56.05048	2.4
57.03426	3.6
57.07066	4.3
59.04998	45.9
59.06130	7.4
59.06367	1.4
61.32491	1.2
65.03938	6.2
67.05505	47.7
67.28144	1.0
68.99774	1.4
69.03430	31.1
69.07070	18.4
70.06573	1.7
71.04992	18.9
71.50971	1.7
72.04517	1.4
72.64182	1.1
74.63336	1.1
77.03916	2.4
79.05490	19.1
81.03451	6.0
81.04567	1.4
81.06596	2.8
81.07053	35.5
83.04970	13.8
83.06114	2.4
83.08627	2.0
84.04482	2.0
84.08138	1.3
85.02904	3.5
85.06552	6.5
87.04454	1.9
89.08572	1.1
91.05478	15.0
93.07046	20.6
95.01345	1.3
95.04966	100.0
95.08607	61.8
96.08086	1.1
97.02866	2.3
97.06528	17.6
97.07649	2.5
98.06032	2.4
98.98467	14.8
99.04453	12.4
99.05563	2.4
99.08079	6.5
101.06010	3.8
103.05421	1.9
105.03388	39.2
105.04449	5.8
105.06393	2.1
105.07030	17.5
107.04942	5.0
107.08614	9.3
108.05731	1.9
109.02882	10.6
109.06512	10.5
109.07639	3.4
109.10152	43.5
110.06039	1.3
111.04426	5.1
111.08068	2.7
112.08746	1.5
113.02355	2.9
117.07017	2.2
119.01967	1.8
119.08585	32.0
121.06492	3.0
121.10146	16.2
122.03674	2.0
122.06109	1.3
122.07217	2.9
123.04433	58.2
123.05360	2.7
123.08063	78.3
123.11691	6.5
124.07642	1.5
124.08643	5.3
125.02324	3.0
125.05996	4.9
125.07104	7.3
125.09631	4.0
127.01556	1.7
127.03894	3.8
127.07547	2.6
129.07014	1.4
131.02538	1.4
133.02824	7.3
137.02319	2.0
137.06003	8.9
137.09608	50.8
137.13235	3.4
138.06554	1.6
138.09109	1.4
138.10162	1.3
139.07584	2.8
139.11192	5.0
140.04686	22.0
141.05412	5.2
141.06944	2.9
142.09814	1.2
147.08064	5.7
147.11725	3.9
149.07133	1.3
151.03932	2.7
153.06955	2.9
155.04903	2.4
155.07031	13.0
155.08539	7.5
155.10583	1.6
165.01781	2.1
165.05490	8.9
165.06863	2.0
165.09123	21.3
165.12720	6.4
166.09709	2.6
168.09323	3.8
183.02887	3.0
183.04379	2.1
183.06529	10.0
183.08141	7.8
183.10255	22.2
183.11752	6.2
183.13638	5.9
184.07530	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	5-Oxo-1,2-campholide
Peak:m/z	Relative Intensity
53.03947	10.5
55.01853	5.5
55.05508	13.6
57.03418	6.0
57.07057	4.1
59.05000	17.6
59.06102	4.8
65.03937	3.8
67.05502	47.0
69.03430	19.1
69.07060	9.9
69.56972	10.4
71.04988	32.4
73.06542	4.1
77.03919	1.9
79.05472	14.8
81.03403	4.9
81.07049	26.1
83.04964	8.0
83.06075	2.2
83.08591	2.3
85.06527	7.2
91.05476	13.6
91.47896	1.6
93.07034	22.4
95.04963	82.2
95.08604	79.5
97.02871	2.7
97.06531	10.5
97.07635	1.6
98.98462	7.9
99.04440	13.4
99.05535	2.3
99.08083	3.1
103.05442	2.4
105.03384	25.4
105.04475	3.9
105.07023	21.8
107.04927	5.1
107.08575	11.7
108.05727	1.9
109.02888	11.4
109.06512	8.7
109.10146	48.8
111.04430	7.9
111.08073	8.9
113.05972	5.3
117.07015	2.6
119.04944	1.7
119.08562	35.6
121.10138	19.5
122.03619	3.6
122.07274	3.0
123.04424	32.6
123.05232	3.3
123.08057	94.3
123.11697	7.4
124.08636	2.7
125.05975	4.3
125.07094	4.1
125.09612	2.1
127.03876	2.2
132.05704	1.9
133.02818	2.9
137.05981	13.0
137.09607	76.3
137.13210	2.6
138.10002	2.0
139.07547	2.0
139.11194	3.5
140.04678	28.7
140.08081	1.8
141.05449	12.7
141.09082	2.2
147.08038	7.5
147.11667	5.0
153.06961	2.3
155.07010	5.6
155.08542	6.3
155.10661	2.7
161.33525	1.5
165.04185	2.6
165.05481	30.6
165.07663	2.5
165.09097	38.3
165.12769	5.2
166.09714	1.9
168.04153	1.9
168.09346	3.1
173.92145	1.6
183.02925	2.1
183.04796	2.3
183.06549	15.6
183.10179	100.0
183.11604	3.8
183.13646	8.4
184.10567	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	183.1015
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
50.84369	1.2
51.02364	1.3
53.03947	13.7
54.11702	1.2
55.01853	5.0
55.05502	6.5
56.01000	1.1
56.05013	3.8
56.96568	1.6
57.03415	3.1
57.07057	2.4
59.05001	77.3
59.06128	6.9
65.03939	6.0
67.05502	46.7
68.05016	2.7
69.03428	32.2
69.07075	10.5
70.06582	2.9
70.35442	1.2
70.76164	4.1
70.76540	1.5
71.01339	1.8
71.04990	12.0
72.08131	1.6
79.05489	18.9
80.04962	1.5
81.03406	4.1
81.07054	17.3
82.06561	1.9
83.04964	4.7
83.06084	3.8
85.02883	4.7
85.06532	4.3
87.04472	1.5
91.05482	15.3
92.59689	1.4
93.07034	18.9
95.04964	90.7
95.08601	66.7
96.05264	1.7
97.02880	2.3
97.06532	16.4
97.07643	4.1
98.97574	1.4
98.98476	10.6
99.04439	4.0
99.05603	1.5
99.08059	1.4
103.05468	2.0
105.03387	25.0
105.04506	4.2
105.07020	14.0
107.04974	7.5
107.06051	1.5
107.08593	4.1
108.05701	2.9
109.02865	15.7
109.06532	6.9
109.07637	4.6
109.10152	49.6
110.03661	2.6
110.10414	1.3
111.04420	3.9
111.08075	3.6
112.08729	1.5
113.06015	1.4
117.06993	3.4
119.08578	31.9
121.06490	2.3
121.10145	12.5
122.03634	1.5
122.07195	3.0
123.04426	49.4
123.08062	100.0
123.11736	2.6
123.12622	1.2
124.08670	5.1
125.02329	2.7
125.05967	8.9
125.07088	4.9
127.01551	1.7
127.03803	1.4
127.07532	1.5
133.02884	6.0
137.05978	9.4
137.09608	45.2
137.13193	1.5
138.03061	1.4
138.09052	1.6
138.09998	1.7
139.07486	3.9
140.04668	22.3
140.08182	1.8
141.05473	6.5
141.09105	2.4
142.96796	1.4
147.08002	6.3
151.03894	3.1
151.07448	1.6
153.05441	10.0
153.06734	1.8
155.07004	12.0
155.08374	2.5
161.23802	1.2
165.01892	1.9
165.05481	5.9
165.09099	21.5
165.12775	1.7
168.04166	1.4
168.09325	3.5
183.02876	3.5
183.06503	5.8
183.08110	3.7
183.10242	13.0
183.11646	2.8
183.13745	2.4
201.86461	1.3
204.60434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
53.03935	1.4
55.01866	0.5
55.05491	0.4
56.68115	0.2
57.03429	0.3
57.07049	0.6
59.04987	0.5
64.28335	0.2
65.03934	0.5
67.05508	1.2
68.99747	0.2
69.03416	0.7
69.07048	0.6
69.71666	0.2
71.04974	0.9
71.08624	0.4
71.50935	0.3
77.03919	0.4
79.05492	2.0
81.03403	0.5
81.07045	1.6
81.52470	0.2
83.04975	0.3
85.02913	0.3
91.05492	0.4
92.02617	0.5
93.07016	0.7
95.04961	6.5
95.08607	1.8
97.06516	0.4
98.97604	0.4
98.98449	1.5
99.04444	0.5
99.08073	0.3
105.03384	3.2
105.04475	0.6
105.06999	0.4
107.01293	2.0
107.04944	1.0
107.08540	0.3
109.02846	0.3
109.06514	1.0
109.10149	1.2
111.04439	0.4
112.01554	0.3
119.08548	0.6
121.10130	0.3
122.03641	6.3
123.04428	3.8
123.08055	1.2
123.11662	0.5
125.02348	0.4
125.05986	0.8
125.83463	0.2
129.06964	0.2
133.02840	0.3
135.04404	1.1
135.05467	0.3
137.05959	0.8
137.09616	0.8
137.13211	0.3
140.04688	1.3
142.07742	0.2
150.03110	10.0
151.03419	0.2
152.60643	0.2
153.06995	0.7
155.07027	0.7
155.08556	0.9
165.05463	100.0
166.05843	2.2
168.00607	0.5
168.04178	7.1
168.09317	1.1
169.04459	0.2
183.02908	1.8
183.06494	1.1
183.08063	0.6
183.10081	0.5
183.11693	2.4
183.13400	0.3
183.13817	0.3
186.01584	1.6
192.39122	0.2
201.03944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
51.02379	1.6
53.03944	14.5
55.01867	3.9
55.05506	2.1
57.03446	0.6
57.07056	0.8
59.05005	2.6
59.06113	1.0
65.03940	4.7
67.05502	12.3
69.03425	2.7
69.07064	2.3
70.06576	0.4
71.04993	3.1
71.08651	0.5
77.03921	1.6
79.05484	3.1
81.03422	2.8
81.07049	5.8
83.04973	1.8
85.01086	0.7
85.02901	1.1
85.06525	1.6
91.05471	2.6
93.03410	0.6
93.07021	3.1
95.04961	100.0
95.08598	7.7
96.05286	1.0
97.02867	1.3
97.06527	1.2
97.07625	0.8
98.98454	8.1
98.99049	0.7
99.04446	2.3
99.08094	0.7
105.03393	13.3
105.04491	6.6
105.07028	2.0
107.04953	0.6
107.08591	1.3
109.02868	2.6
109.06512	1.9
109.10138	3.8
111.04439	1.4
111.08059	0.5
113.00598	1.6
113.04242	0.6
113.05984	0.7
119.08569	3.3
121.03936	0.6
121.10152	2.1
122.03641	1.0
123.04420	83.5
123.08056	6.5
123.11705	2.4
124.04720	0.8
124.08777	0.5
125.02361	3.4
125.06006	1.5
125.07118	0.9
125.09582	0.5
127.01570	1.5
127.07584	0.5
133.02832	2.0
137.02315	0.6
137.05992	3.9
137.09583	4.2
137.13243	1.1
139.11215	0.6
140.04669	31.6
140.08159	0.7
141.05222	0.5
141.06944	0.7
147.08084	0.6
147.11694	1.2
150.03076	1.1
153.06969	1.2
155.04953	1.0
155.07033	19.1
155.08517	3.2
160.04691	0.4
165.05486	8.3
165.06926	0.9
165.09091	2.3
165.12804	1.0
166.06078	0.5
168.04176	1.4
168.09317	1.5
171.74364	0.5
183.02873	1.4
183.04814	0.9
183.06526	7.8
183.08043	2.7
183.10056	2.1
183.11719	4.4
183.13780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
50.01598	0.5
51.02381	1.1
53.03947	11.0
55.01871	3.6
55.05505	2.4
56.05843	0.5
57.03434	0.7
57.07066	1.1
59.04990	2.1
59.06112	0.8
60.95151	0.2
63.90072	0.3
65.03943	5.0
66.04276	0.4
67.05502	12.1
68.05019	0.3
68.99799	0.3
69.03428	1.8
69.07063	1.7
70.42660	0.5
70.43059	0.5
71.04994	2.5
75.66869	0.3
77.03921	1.7
79.05475	2.0
80.02597	0.3
81.03416	2.2
81.07054	5.1
83.04979	1.3
83.08627	0.9
84.08942	0.5
85.02912	0.6
85.06554	0.8
91.05488	1.4
93.03400	0.7
93.07026	1.9
94.04184	0.3
95.04963	100.0
95.08601	7.4
96.05301	1.3
97.02883	0.8
97.06532	1.2
97.07655	0.6
98.03684	0.6
98.98458	3.5
99.04446	1.7
99.08115	0.4
100.07598	0.6
100.11256	0.4
103.05496	0.4
104.87717	0.3
105.03400	8.1
105.04496	6.9
105.07011	1.9
107.04934	0.4
107.08591	1.1
109.02876	1.0
109.06522	1.5
109.10148	3.6
110.03676	0.4
111.04447	1.1
111.08066	0.6
112.08746	0.4
113.09641	0.5
119.01916	0.5
119.08578	2.4
121.04004	0.6
121.10125	1.5
122.03647	1.1
123.04423	79.1
123.08043	6.2
123.11672	2.5
124.04722	1.5
124.08670	0.3
125.02347	5.3
125.06005	0.8
125.07105	0.5
125.09587	0.6
127.01597	0.4
127.07552	0.4
133.02898	0.8
137.02359	0.3
137.06001	1.8
137.09621	4.1
137.13287	0.5
139.03976	0.4
139.06540	0.4
139.07549	0.9
140.04674	29.8
141.05302	0.7
141.06960	0.3
141.09169	0.4
147.08025	0.8
147.52220	0.3
150.03131	0.5
153.05467	0.3
153.06976	0.7
155.07033	19.0
155.08496	1.6
165.01837	0.5
165.04204	0.4
165.05505	4.8
165.06895	0.6
165.09108	1.7
165.12749	0.9
168.04175	1.1
168.09340	1.1
173.08153	0.4
179.18013	0.3
183.02911	0.6
183.04820	0.4
183.06531	5.8
183.08049	1.5
183.10162	2.9
183.11737	1.9
183.13974	0.6
183.15758	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	183.0652
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
51.78026	0.2
53.03934	0.6
55.02095	0.1
55.05492	0.4
57.07074	0.2
59.04965	0.2
59.25680	0.1
67.05487	0.7
69.03413	1.2
69.07059	1.3
70.86386	0.5
71.04979	0.3
77.03921	0.5
79.05494	2.3
81.03417	0.4
81.07057	3.2
82.84621	0.2
83.04957	0.3
85.06506	0.2
91.05481	0.4
92.02588	0.3
93.07030	0.6
95.04961	1.9
95.08584	1.4
96.58943	0.2
97.06527	0.4
98.98476	0.3
99.04438	0.7
99.08079	1.2
105.03361	1.1
105.07047	0.5
107.01302	2.0
107.04964	1.0
107.08601	0.4
109.06482	1.1
109.10139	0.7
111.08074	0.4
119.08556	0.5
121.10164	0.9
122.03645	6.2
123.04440	0.9
123.08087	1.0
123.11697	0.6
125.05991	0.5
125.07056	0.2
125.09613	0.7
127.07610	0.2
135.04399	0.9
135.05414	0.3
137.05959	0.4
137.09627	0.6
137.13208	0.2
139.11148	0.6
140.04633	0.5
142.34372	0.2
149.00256	0.2
150.03113	10.6
151.03366	0.2
155.07053	0.2
165.05467	100.0
166.05789	2.5
168.04182	5.7
168.05431	0.1
183.06577	0.9
183.10156	0.4
183.13828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
52.97772	0.1
53.03946	0.8
55.01876	0.3
55.05532	0.2
65.03916	0.2
67.05483	0.5
70.27735	0.7
77.03912	0.3
79.05488	1.8
81.03417	0.2
81.07026	0.4
91.05459	0.3
92.02573	0.2
94.04156	0.3
95.04968	2.8
95.08585	0.4
98.98463	1.3
101.95006	0.6
105.03395	3.3
105.04488	0.4
107.01305	2.1
107.04958	1.2
109.06512	0.6
119.96063	0.4
122.03648	6.9
123.04443	1.5
123.08047	0.2
125.05989	0.4
127.01525	0.3
133.02776	0.2
135.04433	1.1
137.05988	0.5
140.04665	0.6
150.03110	10.0
151.24057	0.2
152.52214	0.2
153.06807	0.2
155.06998	0.3
161.09633	0.2
165.05466	100.0
166.05846	2.7
168.04175	8.2
168.09380	0.2
183.06538	0.7
183.07953	0.4
183.11661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02385	1.3
53.03948	11.8
55.01874	3.5
55.05518	0.8
55.49934	0.3
56.05032	0.8
57.03424	0.6
59.04997	0.4
59.06121	1.7
59.73855	0.4
65.03939	4.5
66.33950	0.3
67.05505	10.7
68.05038	0.6
69.03436	0.7
69.07062	0.4
69.21600	4.3
70.06600	0.6
71.04979	0.7
75.05646	0.4
77.03923	2.2
79.05489	2.0
81.03404	2.0
81.07049	2.3
83.04961	0.5
83.06089	0.8
85.02901	0.4
85.06559	0.5
91.05459	1.8
93.03405	0.6
93.07048	1.9
95.04965	100.0
95.08614	2.9
96.05292	1.1
97.02899	1.2
97.06512	0.7
97.07656	1.0
97.26795	0.3
98.21535	0.8
98.98472	2.1
99.04453	1.2
101.07143	0.4
105.03394	5.1
105.04499	5.2
105.07001	1.7
107.04937	0.4
107.08603	1.2
109.06526	1.1
109.07664	1.0
109.10149	1.7
110.03635	0.7
111.04440	1.5
111.08089	0.8
112.08745	0.4
117.07081	0.4
119.08570	2.3
121.03944	0.8
121.06472	0.4
121.10141	0.9
123.04426	83.0
123.08028	3.3
124.04726	1.8
124.08698	0.8
125.02370	5.1
125.05991	0.8
125.07108	1.4
133.02835	1.8
137.02390	0.7
137.05956	2.3
137.09612	2.7
138.09180	0.4
138.10231	0.5
139.07512	0.6
140.04677	29.2
141.05423	0.5
143.07359	2.0
147.08075	0.7
151.03938	0.4
153.01804	0.7
155.07025	18.7
156.08075	1.2
165.05540	0.9
165.09184	1.9
168.04150	0.4
183.02916	0.7
183.06583	4.9
183.09012	0.8
183.10278	1.1
183.11618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	SYRINGALDEHYDE
Peak:m/z	Relative Intensity
53.03952	2.0
55.01872	1.1
55.05495	0.8
55.34204	0.3
57.03431	0.3
57.07074	0.5
65.03950	2.6
67.01877	0.5
67.05508	3.1
68.99783	0.5
69.03410	0.7
69.07055	0.7
70.81152	0.4
70.83854	0.9
71.04989	1.2
77.03971	0.3
79.05502	1.6
80.02625	0.8
81.03415	1.0
81.07069	1.8
82.04167	0.4
83.04970	0.8
85.02915	0.5
85.06551	0.4
90.59503	0.3
91.05473	1.1
91.37749	0.4
92.02627	0.4
93.03413	1.7
93.07029	0.8
94.04182	1.1
95.04969	15.3
95.08614	2.4
97.02941	0.5
97.06525	2.0
98.98469	4.3
99.04443	0.7
101.95046	1.8
105.03396	7.7
105.04519	0.9
105.07021	0.7
107.08572	0.5
108.02103	0.6
109.02847	0.5
109.06509	1.0
109.10123	0.8
110.03652	1.2
111.04453	2.1
112.05219	0.9
119.08577	0.7
119.96068	0.9
121.02861	0.4
121.10088	0.3
122.03666	1.5
123.04430	9.4
123.05333	0.5
123.08073	1.5
123.11685	0.5
124.05206	0.4
125.02345	0.8
125.05061	0.7
125.05988	11.4
127.01562	0.8
127.03872	0.4
127.07567	0.5
127.61104	0.3
133.02879	0.6
137.05988	0.9
137.09621	0.8
137.13185	0.4
137.97101	1.4
138.03130	0.5
138.06264	0.4
139.03870	1.7
140.04683	5.5
141.05446	1.4
141.07010	0.5
142.03455	0.4
147.11638	0.4
150.03020	0.4
151.03947	0.5
153.05466	60.3
154.05801	1.4
155.07053	11.1
155.08498	1.7
160.04521	0.5
164.40373	0.4
165.05511	4.7
165.06816	0.6
165.09106	0.7
167.01978	0.7
167.03401	12.5
168.04187	9.4
168.09341	2.3
181.04956	8.8
183.06531	100.0
183.11644	4.1
184.06845	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03932	4.2
55.01863	1.1
55.05511	5.9
57.03420	1.1
58.02939	2.7
58.06594	1.0
65.03934	6.2
67.05505	20.6
68.05025	1.3
69.03415	1.3
69.07070	6.1
70.02956	1.3
70.06598	1.9
71.05872	1.6
71.06202	1.2
79.05495	33.6
80.05000	2.4
81.03391	1.6
81.04523	0.9
81.07057	44.8
82.02927	2.2
82.06576	2.4
83.08604	2.6
84.08144	2.2
86.02423	7.4
91.05480	6.0
92.05000	1.6
93.05791	7.9
93.07050	2.1
94.06568	2.3
95.04967	16.7
95.08596	2.6
96.04479	2.6
96.08126	1.7
97.05267	2.2
97.06530	10.6
98.06046	3.8
98.09699	2.6
98.97543	1.0
105.03373	2.6
105.07008	3.9
106.06554	1.9
107.07324	3.5
108.04465	2.2
108.08121	73.0
109.06524	8.1
109.08474	1.3
109.10127	1.2
110.06067	7.8
117.05722	1.5
118.06561	3.9
118.11052	1.0
119.04967	1.2
120.04475	3.1
121.05197	4.5
122.05998	3.1
123.04436	8.3
123.05527	2.6
123.08063	1.5
124.05178	2.5
124.07562	2.5
125.05996	32.1
125.73466	0.9
126.05518	38.3
126.09156	19.2
127.07533	1.7
133.06497	2.6
134.05978	2.1
136.07578	100.0
137.05989	10.7
137.07919	1.6
137.09569	2.0
138.05478	4.3
138.09064	1.1
139.06331	1.1
140.04620	3.1
140.07039	1.9
140.08150	3.2
141.05472	1.0
150.06326	1.0
151.17139	1.0
152.07050	1.7
153.05458	2.2
153.07813	3.0
154.08623	28.5
155.07043	1.3
164.07069	93.7
165.05432	1.1
165.07433	2.2
168.89568	0.9
171.55505	1.0
171.72202	1.0
182.05481	3.3
182.08121	93.9
182.18985	1.0
183.06580	1.2
183.08455	2.7
183.10091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
51.11292	0.5
53.03935	1.0
55.01866	0.9
55.05504	8.4
56.05005	0.8
57.03413	1.4
57.07081	3.4
58.02959	32.6
61.34607	0.6
65.03933	0.7
67.05502	21.7
69.03417	1.1
69.07063	64.9
69.56050	2.1
69.56479	2.7
70.06567	1.8
70.07395	0.9
72.08141	0.8
74.06055	1.8
74.11397	0.6
77.86211	0.6
79.05486	6.9
81.07049	20.2
83.04974	1.5
83.08613	7.5
84.08141	9.7
86.06062	1.4
91.05473	4.8
93.07038	10.3
95.04971	3.3
95.08595	7.5
97.06522	4.2
97.10104	0.7
98.06031	3.5
98.09664	2.1
98.98524	0.6
100.07608	7.2
105.03399	1.0
105.07021	15.8
107.08579	19.2
109.06509	2.5
109.10149	46.9
110.10491	1.1
112.07590	2.5
114.09161	13.7
119.08553	2.3
121.10093	1.5
123.04402	1.0
123.08052	1.2
123.11689	8.1
126.09143	13.3
126.12737	1.8
128.10646	0.7
131.08554	0.9
133.10123	29.0
134.10481	1.4
135.10707	1.3
135.11687	19.4
135.12698	1.0
137.13254	1.1
138.12772	22.1
140.10657	1.4
140.14323	1.4
147.11665	5.8
151.11179	10.8
153.12727	13.1
153.23193	0.6
154.15918	1.7
164.14366	2.8
165.05426	0.7
165.12737	2.5
169.14636	0.7
176.20551	0.7
182.05449	0.7
182.15392	100.0
183.15720	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02382	0.7
53.03940	3.0
55.01873	3.1
55.05280	0.5
55.05508	6.7
56.96541	1.3
57.03416	1.4
57.07067	1.8
59.05002	0.4
59.06088	0.4
65.03618	0.6
65.03935	8.3
67.05194	0.3
67.05506	6.3
68.99801	0.5
69.03432	2.8
69.06747	0.3
69.07071	4.4
69.29361	0.4
70.76948	1.0
71.01333	0.6
71.04987	3.0
75.04455	1.3
76.48433	0.3
77.03929	0.8
78.04697	1.1
79.05489	13.9
81.03427	1.8
81.06597	0.7
81.07053	11.7
82.04179	1.7
83.04550	0.5
83.04977	4.7
83.08617	2.9
85.02903	3.5
85.06524	1.4
89.03904	5.8
91.05479	42.5
92.05784	1.0
93.03399	4.1
93.07040	22.7
94.04188	3.1
94.06533	0.3
94.07333	0.3
95.04385	0.7
95.04966	11.1
95.06004	0.4
95.08607	7.5
97.02881	1.3
97.06528	6.2
97.07658	0.3
97.10203	0.6
98.09682	0.6
98.97578	5.8
99.04464	0.6
99.08070	0.4
100.07609	0.6
100.11243	0.6
103.05463	12.1
104.05775	0.4
105.03393	0.7
105.04513	1.7
105.07024	7.1
106.04162	2.9
107.04961	6.7
107.07887	0.8
107.08590	13.9
108.02108	1.0
108.05745	0.5
109.02912	0.6
109.06521	2.9
109.10143	4.2
110.03680	1.9
111.04433	6.4
111.08072	2.2
115.05448	0.7
116.98621	8.0
117.03375	5.5
117.07001	1.9
119.04936	29.2
119.08583	2.9
120.05161	0.5
121.02860	1.3
121.06500	24.7
121.10140	19.4
122.03643	9.2
122.07140	1.2
123.00781	0.5
123.04443	1.0
123.08064	5.3
123.11667	1.9
125.05988	5.5
125.09615	1.4
126.09165	0.6
130.07758	1.3
131.04930	7.5
132.05292	0.4
134.03618	1.3
134.07306	0.5
134.99652	8.0
135.04414	16.7
135.08047	3.3
135.11682	5.8
136.05212	4.8
137.05972	100.0
137.09560	1.1
138.03154	1.8
138.06245	3.1
139.03902	2.6
139.07561	2.9
139.10266	0.4
139.11176	2.5
140.00209	0.7
140.08150	0.8
142.02664	0.8
143.08519	0.4
145.02838	7.1
145.03877	0.4
145.10123	10.8
146.03192	0.5
147.04382	0.4
148.05194	1.2
149.02364	0.8
149.05980	12.5
150.06665	0.5
151.03897	1.0
151.07538	18.8
152.07928	0.5
153.00723	1.6
153.05460	2.0
153.07060	0.5
153.09084	3.0
153.12769	1.2
158.01175	1.0
163.03899	32.2
163.07561	2.7
163.11174	14.3
163.14836	4.3
164.04280	1.7
164.11594	0.6
165.07028	0.6
166.02515	0.5
166.06250	2.0
166.07727	0.9
166.98630	0.5
167.03398	0.7
171.06519	2.6
181.01401	0.6
181.04974	19.7
181.06432	1.2
181.08615	9.4
181.12218	18.1
181.15846	1.2
182.05432	0.5
182.08080	0.7
182.15378	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	3.1
55.01860	2.8
55.05503	3.4
57.03425	1.5
57.06802	1.2
57.07071	20.3
59.04983	3.5
59.38536	1.0
61.01755	1.2
65.03929	2.7
67.05493	2.5
69.03421	2.7
69.07058	3.5
79.01846	2.0
79.05489	11.7
81.03406	6.9
81.07054	5.8
83.04982	52.5
86.59432	1.2
89.03877	1.3
91.05478	5.8
93.03391	2.7
93.07052	10.6
95.01326	1.6
95.04964	23.2
95.08611	2.2
97.05929	2.1
97.06527	27.1
98.97588	9.0
103.05463	1.3
105.07037	7.9
107.04931	3.5
107.08593	14.3
109.02901	1.8
109.06453	1.7
111.04444	9.0
111.08081	1.4
116.98612	12.9
117.03387	1.6
117.07009	3.4
119.08562	4.7
121.02843	3.4
121.06509	3.5
121.10137	14.5
123.08079	1.1
125.02284	1.2
125.05986	66.9
126.06277	1.2
130.07768	1.9
134.99655	11.4
135.04405	2.8
135.08058	1.7
135.11679	7.6
136.12077	1.3
138.03131	7.4
139.03899	9.6
140.00168	1.3
145.02853	1.5
145.09100	1.3
145.10129	13.2
146.36154	1.2
149.02370	1.1
149.05965	3.3
151.03891	2.4
153.00723	2.8
153.05527	1.4
158.01236	3.4
163.03893	4.6
163.11179	100.0
164.11530	2.4
166.02672	2.4
166.07780	1.5
167.03447	1.6
181.04945	64.9
181.08638	2.2
181.10193	2.5
181.12224	33.7
182.05664	1.5
182.12634	1.2
184.03645	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03923	2.2
55.01867	1.1
55.05491	2.6
55.94934	0.8
56.96556	1.5
57.03421	1.4
57.07074	19.6
59.04980	1.9
62.49507	0.9
65.03915	2.1
67.05481	2.6
69.03417	2.4
69.07049	3.3
71.24995	2.1
79.05079	1.0
79.05491	10.0
80.02635	1.3
81.03408	5.8
81.07055	4.5
83.04974	48.9
85.06554	1.2
91.05461	5.2
93.03382	1.4
93.07042	9.7
95.01324	1.9
95.04961	18.9
95.08588	1.5
97.06522	24.6
98.97578	5.9
103.05455	1.1
105.07038	5.1
107.04924	3.1
107.08595	9.5
109.06531	1.5
111.04414	3.5
116.98592	6.8
117.06985	2.6
119.08566	3.3
121.02871	1.7
121.06512	4.9
121.10129	13.4
123.04436	1.4
125.02293	1.1
125.05984	67.8
126.06322	1.1
128.14594	0.9
130.07753	1.9
134.99664	8.0
135.04372	2.1
135.08052	1.6
135.11711	7.3
138.03117	8.2
139.03873	4.3
145.10117	10.2
151.03923	1.2
153.00706	1.5
153.05515	1.9
158.01160	1.7
163.03870	3.5
163.11172	100.0
164.11496	3.4
166.02592	3.6
181.04938	69.1
181.10120	1.5
181.12221	34.1
182.01030	0.9
182.05424	3.1
183.15858	0.8
184.03677	4.8
185.79387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02369	0.9
53.03946	5.9
55.01310	0.7
55.01875	7.3
55.05511	8.9
56.96550	2.9
57.03426	2.8
57.07058	2.7
59.06114	1.7
61.91208	0.6
62.99072	0.7
65.03941	32.4
67.05506	20.0
68.99773	1.7
69.03426	6.9
69.07075	6.6
69.57834	5.5
69.89731	0.7
71.04974	2.0
71.95239	0.8
77.03934	1.6
79.01826	1.2
79.05493	27.8
81.03424	3.8
81.04528	1.1
81.07056	30.5
82.00538	0.7
82.04194	12.5
82.06605	0.7
83.04977	8.1
83.06078	1.3
83.08618	1.5
84.04499	0.7
85.02448	1.1
85.02905	15.6
85.06531	1.2
86.06014	0.8
89.03909	3.0
91.05477	22.8
93.03405	7.8
93.07042	49.6
94.07342	1.0
95.04388	1.1
95.04968	17.1
95.06008	0.8
95.08608	5.1
97.02868	2.8
97.05956	0.8
97.06532	12.5
98.97589	10.4
99.04440	1.3
99.05560	1.1
101.05959	0.8
103.05486	7.2
105.03374	0.9
105.04514	1.1
105.07025	12.4
106.04164	1.2
107.04967	5.7
107.08591	26.3
108.02084	9.0
109.02905	1.3
109.06509	10.3
109.07615	1.4
109.10137	2.0
110.03653	12.7
111.04447	13.4
111.08064	2.6
115.05446	1.0
116.98629	9.7
117.03390	3.7
117.07025	7.5
119.04922	2.2
119.06121	1.0
119.08582	15.5
120.05728	1.2
120.08929	0.8
121.02877	3.2
121.06498	18.2
121.10139	46.6
122.07094	2.3
122.10503	1.2
123.00792	5.5
123.04401	2.1
123.05561	1.2
123.08055	3.1
125.02328	1.3
125.05997	13.7
125.09597	1.1
127.07549	9.5
130.07730	4.9
133.06482	0.8
134.03627	1.0
134.99680	11.2
135.03447	1.0
135.04416	10.5
135.08041	16.2
135.11693	21.7
136.07590	3.8
136.08615	1.1
136.11986	0.9
137.02310	2.5
137.05972	4.7
137.09595	2.4
138.03111	6.9
138.06680	2.1
139.03896	7.5
139.07512	2.2
139.09784	1.1
139.11176	1.7
140.08180	3.3
141.94260	0.8
142.02615	7.6
143.08557	1.0
145.02847	4.5
145.10124	44.2
146.10532	1.4
148.08833	1.8
149.02315	1.5
149.05978	13.3
151.03893	1.4
151.07457	1.2
151.11174	10.6
153.00739	2.1
153.01917	1.3
153.05452	3.7
153.06714	1.4
153.09131	0.8
153.12769	1.0
154.08588	1.8
158.01245	2.1
163.03914	19.3
163.07494	2.3
163.11179	68.0
164.07008	2.3
164.08269	0.8
164.11536	2.6
166.02623	0.9
166.06306	1.1
166.07689	1.1
167.03389	2.9
170.02043	1.0
171.06528	14.7
181.04953	100.0
181.10780	1.8
181.12221	31.3
181.15779	0.9
182.05309	3.7
182.08134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.00596	0.3
53.03928	0.7
55.01855	1.3
55.05504	2.1
56.96555	1.0
57.03426	0.4
57.07064	2.1
59.04991	3.6
60.08906	0.3
65.03926	0.9
67.05500	2.8
69.03430	2.0
69.07069	3.2
70.87763	0.9
71.04987	0.7
73.02911	0.5
79.05492	7.2
81.07053	8.0
83.04969	1.8
83.08605	1.5
87.04472	0.8
91.05472	3.1
93.03412	0.6
93.07039	18.8
95.04955	2.7
95.08604	16.7
96.08929	0.6
97.02880	0.4
97.06512	2.4
98.97582	10.5
103.05464	0.6
104.37099	0.4
105.07034	3.3
107.04931	1.6
107.08588	32.5
109.06515	0.7
109.10146	2.3
111.04462	1.8
111.08099	1.7
116.98615	8.2
117.07010	0.8
117.37289	0.3
119.08573	3.5
121.06503	4.7
121.10137	18.7
122.10491	0.6
123.08062	3.7
125.05978	3.8
130.07765	0.8
134.99638	4.3
135.08051	1.1
135.11684	43.6
136.12025	1.3
137.09579	0.8
137.13222	1.4
138.03117	0.6
139.03911	0.4
139.07530	8.3
139.11163	0.5
140.00159	0.4
140.07858	0.4
142.16896	0.3
145.10115	10.8
148.08818	0.6
153.00685	0.8
153.12729	2.3
158.01231	0.7
163.03893	1.1
163.11174	31.1
164.11525	1.1
181.04947	4.8
181.12224	100.0
182.12585	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.00291	0.4
53.03932	1.9
53.38406	0.4
55.01854	1.6
55.05500	3.6
56.96561	7.5
57.03405	0.6
57.07070	1.0
59.04982	0.6
63.02395	0.4
65.03931	3.8
67.05507	7.6
68.99783	1.2
69.03094	0.6
69.03427	7.7
69.07072	2.3
71.04977	1.2
71.95241	1.4
79.01852	1.2
79.05487	11.0
80.02641	2.4
81.03407	1.8
81.07053	6.4
82.04178	0.5
83.04971	4.3
84.99580	0.4
89.03860	0.5
91.05475	8.2
93.03391	1.9
93.07037	29.9
93.57645	0.4
94.04167	0.6
94.07363	0.5
95.01314	3.3
95.04379	0.7
95.04958	11.0
95.08592	6.3
97.02905	0.5
97.06523	7.3
98.97575	42.0
99.97883	0.7
103.05462	1.0
105.07025	5.8
107.04933	1.9
107.08585	30.2
107.52352	0.4
107.77766	0.5
108.02075	0.8
108.08899	0.7
109.02853	1.5
109.06521	3.9
109.10143	7.8
110.03627	1.1
111.04449	6.1
111.08089	0.7
116.98611	41.7
117.07032	2.0
119.07809	0.7
119.08573	8.5
120.63554	0.4
121.02828	2.7
121.06487	6.8
121.10143	12.0
123.00777	0.8
123.04411	1.9
123.08057	20.5
125.02316	0.7
125.05985	6.3
130.07770	1.5
134.99648	42.0
135.04398	2.0
135.08051	1.5
135.11678	15.1
136.07535	0.5
137.02327	0.8
137.09604	5.3
138.03116	14.9
139.03922	5.1
139.07506	0.7
140.00169	3.9
141.05440	1.0
145.10115	11.2
149.02396	0.5
149.05988	1.3
151.03873	2.7
153.00700	8.3
153.01891	0.6
153.05444	1.3
153.06882	0.8
153.12659	0.8
155.03340	1.0
158.01237	7.0
163.03911	2.3
163.07510	0.7
163.11171	21.4
164.11479	1.0
165.07031	0.7
166.02585	5.2
166.07820	0.9
167.03319	1.2
176.02283	1.6
176.79385	0.5
181.04942	100.0
181.12195	10.7
181.15677	0.5
182.00903	0.6
182.05330	4.1
182.07935	0.6
182.12567	0.5
184.03664	11.0
190.94849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.03159	0.8
53.00307	0.4
53.03930	1.9
55.01868	2.6
55.05500	2.1
56.96554	3.0
57.03410	1.1
57.07058	0.9
59.11253	0.4
59.94601	0.4
63.02373	0.5
64.16658	0.4
65.03929	4.9
67.05508	3.2
68.99796	1.4
69.03434	2.9
69.07056	1.8
71.04975	0.9
71.12656	1.1
71.95241	0.7
73.16191	0.4
77.03909	0.7
79.01831	0.6
79.05489	5.1
80.02623	2.4
81.03405	1.5
81.07057	4.8
82.03727	0.8
82.04192	8.0
83.01324	0.5
83.04977	3.0
83.08587	1.0
83.11697	0.5
85.02882	1.4
85.06498	0.7
89.03925	5.0
91.05480	7.7
93.03400	2.8
93.07039	9.1
94.04172	0.5
95.01324	3.3
95.04960	9.2
95.08590	1.7
97.06524	3.8
98.97581	12.9
99.04453	0.6
100.23988	0.4
103.05452	2.9
105.07036	2.3
106.04154	0.6
107.04951	3.2
107.08578	6.6
108.02066	2.5
109.02868	1.0
109.06507	1.4
109.10147	0.6
110.03658	7.9
111.04448	4.4
111.08075	0.8
116.97295	0.8
116.98620	15.5
117.03368	6.0
119.04893	1.0
119.08557	1.5
121.02888	2.9
121.06500	6.9
121.10141	7.3
123.00786	13.7
123.04412	2.1
123.08022	0.7
123.59534	0.4
124.07614	0.5
125.02399	0.5
125.05990	6.0
125.09620	0.6
134.99649	12.5
135.03416	0.7
135.04411	14.2
135.08066	2.9
135.11673	4.1
137.02357	0.9
137.05934	1.2
137.09682	0.5
138.03107	9.7
139.03940	2.6
139.07555	1.0
139.11092	0.6
140.00195	1.3
140.08215	0.7
141.01836	1.3
141.05449	0.8
145.02850	7.7
145.10121	1.9
148.05217	0.7
149.02292	1.0
149.05986	3.7
151.00253	8.2
151.03876	1.6
151.07487	0.6
153.00691	1.9
153.05450	1.6
153.07059	0.5
153.09071	0.6
158.01245	2.1
163.03897	34.8
163.07559	1.5
163.11185	8.3
164.04253	0.7
166.02611	27.8
166.06305	0.8
166.07747	0.7
167.03117	0.9
169.01323	24.7
170.01665	0.5
171.06535	1.5
176.54991	0.4
181.04951	100.0
181.10193	1.6
181.12190	7.3
181.15810	1.0
182.01025	0.5
182.05261	3.0
184.03665	73.6
185.04015	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	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02380	0.3
53.03939	0.9
55.01862	0.5
55.05504	0.5
56.05039	0.3
56.96566	0.6
57.03438	0.3
58.11821	0.3
59.06100	0.3
63.02372	0.6
65.03941	1.6
67.05501	1.2
68.05025	0.7
69.03415	0.3
69.07053	0.4
70.06591	0.4
70.97765	0.6
71.04984	0.2
72.04476	0.3
74.06136	0.2
77.03946	0.4
79.01868	0.2
79.05489	4.6
80.05790	0.3
81.03407	0.5
81.04539	0.5
81.07051	0.7
82.04220	0.3
83.04980	1.0
83.06094	1.0
83.08627	0.2
85.02912	0.6
85.06519	0.2
89.03913	20.0
90.04270	0.4
91.05468	2.8
93.03398	1.1
93.07055	1.5
95.04980	2.4
95.06078	0.8
97.02879	0.4
97.06513	0.9
97.07597	0.3
98.97591	3.0
99.05592	0.5
103.05483	0.5
105.04510	0.6
105.07018	0.5
107.04954	7.6
107.08582	0.7
109.02897	0.6
109.06522	0.3
109.07670	0.5
110.03658	0.3
110.07186	0.3
111.04439	3.4
111.08045	0.4
116.98609	3.1
117.03377	22.2
118.03682	0.6
119.04948	0.8
119.08534	0.2
120.05515	0.3
121.02850	0.7
121.06498	1.6
121.10152	0.7
122.07151	0.7
123.05546	0.3
123.08072	0.3
124.08730	0.4
125.05979	0.6
125.07124	0.5
134.99684	2.2
135.04408	44.4
135.08047	1.0
135.11671	0.5
136.04778	0.8
136.07590	0.5
136.08656	0.4
137.05952	1.3
137.06960	0.4
138.06625	0.4
139.02917	0.4
139.03905	3.3
140.08174	0.5
145.02841	24.3
145.10089	0.3
146.03183	0.8
149.02359	0.8
149.05992	1.0
151.03899	0.3
153.05455	0.6
154.09755	0.3
163.03893	100.0
164.04231	2.8
164.08153	0.5
167.03404	0.6
171.06400	0.3
181.04974	5.9
181.06413	0.5
181.08554	0.8
181.10803	1.5
181.12268	0.9
186.05487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.00304	0.8
53.03941	3.8
54.03444	0.4
54.04705	0.6
55.01875	3.9
55.05508	2.6
56.05020	1.0
56.96575	2.0
57.03420	1.8
57.04575	0.5
57.07074	0.6
58.06591	0.5
59.04988	0.8
59.06117	1.8
63.02356	0.4
65.03938	32.6
67.05505	12.5
67.64382	0.4
68.02637	0.9
68.05017	1.8
68.99789	1.3
69.03429	4.7
69.07066	3.0
69.61294	0.4
69.83253	2.1
70.06577	0.5
71.01367	0.6
71.04980	1.2
71.06120	0.5
75.04461	0.5
77.03925	1.1
79.01854	1.0
79.05494	8.6
80.05035	0.4
81.03412	3.1
81.04526	1.1
81.07060	3.7
82.00547	1.1
82.04203	14.2
82.06606	0.6
83.04982	4.9
83.06091	1.7
83.08603	0.9
84.04520	0.6
85.02905	19.3
85.06539	1.4
85.07666	0.6
85.84415	0.4
89.03918	6.5
91.05482	16.3
92.02647	0.4
92.06285	0.6
93.03407	5.6
93.04508	0.3
93.07040	13.0
94.06606	0.4
94.07387	0.5
95.01303	0.7
95.04963	11.0
95.06087	1.7
95.08612	3.0
96.04491	0.7
96.06860	0.4
97.02884	2.4
97.06525	11.2
97.07635	1.5
98.97585	7.2
99.04450	0.5
99.05583	0.8
99.08088	0.5
101.02381	0.4
101.07146	0.4
103.04810	0.8
103.05460	8.8
105.03394	0.7
105.04500	2.3
105.07049	2.4
107.04946	5.7
107.08591	5.7
108.02088	9.5
108.08143	0.5
109.02882	0.8
109.06518	2.0
109.07607	1.7
109.10149	1.1
110.02899	0.7
110.03660	13.1
110.07135	0.7
111.04450	11.7
111.08041	1.5
113.07153	0.5
114.03119	1.0
114.06636	1.4
115.05479	0.6
116.98618	10.0
116.99435	0.6
117.03381	5.6
117.06999	0.9
119.04943	2.3
119.08557	1.9
120.02130	0.5
120.05675	1.3
121.02866	3.9
121.04065	0.8
121.06500	15.6
121.08411	0.5
121.10140	9.0
122.03659	0.6
122.07175	2.0
123.00780	5.1
123.04435	1.6
123.05471	0.8
123.08056	2.0
123.09032	0.5
124.08723	1.0
125.02365	0.9
125.05075	0.7
125.05995	9.5
125.06987	0.8
125.09609	0.5
127.03870	0.4
131.04959	0.7
133.02837	1.0
134.99654	10.0
135.04414	14.9
135.08040	4.8
135.11681	3.9
136.05113	0.8
136.07646	0.7
136.08704	1.3
137.02361	1.5
137.05989	4.6
137.06987	0.7
137.09596	1.5
138.03116	8.8
138.06674	1.6
139.03908	6.2
139.07535	1.7
139.08577	0.4
139.09767	0.6
139.11171	2.8
140.08159	1.9
141.01756	0.5
142.02614	7.2
145.02846	7.7
145.03996	0.5
145.10133	2.5
147.04414	1.3
148.05173	1.1
149.02348	1.7
149.05977	7.4
151.03911	1.6
151.04973	0.5
151.07562	0.8
153.00687	1.4
153.01817	0.5
153.05438	2.5
153.06816	0.7
153.09119	0.6
154.09731	0.5
156.04108	0.6
158.01283	1.1
163.03900	32.6
163.07549	4.2
163.09865	0.9
163.11162	5.0
163.14850	0.7
164.04234	1.4
164.07010	0.6
164.08249	0.8
166.02580	0.8
166.06258	4.4
166.07593	0.7
167.03423	1.4
170.02072	1.2
171.06525	16.5
181.04956	100.0
181.08514	14.6
181.10815	2.3
181.12140	5.9
181.15849	0.8
182.00963	0.4
182.05334	2.7
182.08066	0.6
192.77902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.03161	0.4
53.03935	0.6
57.03447	0.2
63.02359	0.5
65.03680	0.2
65.03944	1.7
67.01854	0.2
67.05489	0.6
67.05820	0.2
68.99781	0.6
69.03432	1.7
70.53661	0.6
77.03896	0.3
79.01835	0.3
79.05476	0.5
80.02627	2.1
81.03402	0.8
81.07053	0.2
82.04184	0.4
83.01392	0.2
83.04967	0.5
83.07109	0.2
85.02923	0.3
91.05487	0.2
92.02616	0.2
93.03400	1.8
94.04161	0.5
95.01318	2.8
95.04382	0.4
95.04966	6.5
96.05255	0.2
97.06524	0.8
98.20883	0.2
98.97577	1.7
99.04401	0.3
106.05834	0.2
107.04921	0.4
108.02076	0.7
109.02859	1.0
110.03654	0.8
111.04446	1.8
113.05975	0.3
116.98653	1.0
119.01250	0.2
121.02829	0.8
121.10103	0.2
122.03680	0.3
123.00779	1.0
123.04436	1.6
125.02363	0.5
125.06004	2.8
134.99641	0.9
135.04367	0.3
136.01543	0.3
137.02309	0.6
138.03116	15.4
139.03595	0.3
141.05463	0.6
149.02368	0.5
151.03902	2.1
153.05476	0.8
154.02632	0.3
155.03403	0.8
156.04218	0.2
163.04033	0.2
163.11345	0.2
166.02620	9.1
167.03003	0.2
181.04948	100.0
182.05299	3.0
184.02026	0.4
184.03671	7.7
199.62080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.01590	0.3
52.03163	0.4
53.03947	0.9
55.01865	0.3
60.15346	0.2
63.02362	0.7
65.03627	0.2
65.03938	2.4
67.01855	0.3
67.05491	0.6
68.99768	0.6
69.03416	1.6
77.03930	0.2
79.01846	0.4
79.05489	0.4
80.02643	2.2
81.03410	1.1
82.04176	0.4
83.04985	0.5
91.01826	0.4
92.02599	0.3
92.15369	0.2
93.03401	2.0
94.04192	0.4
95.01317	3.6
95.04964	7.0
95.05576	0.4
97.06510	0.6
98.20691	0.3
98.97587	1.1
99.04440	0.3
107.04919	0.6
108.02078	1.1
109.02866	1.1
110.03662	1.1
111.04436	2.5
113.05961	0.3
116.98612	1.1
119.01305	0.4
121.02877	1.0
122.03687	0.9
123.00774	0.6
123.04422	1.6
125.02366	0.9
125.05982	3.5
134.99678	0.4
136.01566	0.5
137.02312	0.8
138.03111	16.2
139.03445	0.2
141.05432	1.1
149.02322	0.4
151.03902	2.4
153.05467	1.2
155.03355	1.0
163.57977	0.2
166.02611	8.7
167.03227	0.3
181.04939	100.0
182.05278	2.8
184.03662	8.2
184.04955	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	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.03156	0.5
53.03922	0.7
55.01844	0.5
55.05487	0.3
56.96555	2.0
57.07049	0.3
58.70767	0.2
63.02366	0.6
65.03936	2.4
67.01842	0.4
67.05478	0.6
68.02638	0.2
68.99776	0.8
69.03420	1.9
69.07043	0.4
69.58235	1.0
71.95252	0.5
78.70384	0.2
79.01833	0.5
79.05487	1.1
80.02623	1.9
81.03407	1.0
81.07033	0.7
82.04205	0.5
83.04977	1.4
85.06563	0.2
89.98956	0.2
91.05466	0.8
93.03397	2.0
93.07017	1.1
94.04163	0.6
95.01322	2.4
95.04955	7.5
95.08589	0.4
97.02882	0.2
97.06534	1.2
98.97571	13.2
99.04456	0.3
103.05450	0.3
105.07002	0.5
107.04924	0.7
107.08577	0.8
108.02074	0.7
109.02875	1.3
110.03647	0.9
111.04424	2.9
116.98606	14.0
119.01303	0.3
119.08553	0.2
121.02867	1.3
121.06470	0.6
121.10127	1.5
122.03629	0.5
123.00777	0.7
123.04440	1.6
123.08047	0.3
125.02345	0.5
125.05973	4.2
134.99644	10.6
135.04399	0.6
135.08070	0.4
135.11685	0.5
136.01508	0.4
136.07623	0.3
137.02306	0.6
138.03102	13.9
139.03882	0.9
139.07558	0.2
140.00162	1.1
141.05467	1.0
145.10052	0.4
149.02322	0.5
149.05913	0.3
151.03899	2.6
153.00722	1.8
153.05487	1.2
155.03416	0.9
158.01233	2.4
163.03883	0.7
163.07516	0.2
163.11150	1.7
166.02603	5.9
166.07741	0.2
167.03281	0.2
176.02266	0.4
181.04935	100.0
181.12148	1.7
182.05287	2.7
184.03645	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	181.0491
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02369	0.3
52.03149	0.5
52.91098	0.1
53.03944	1.0
54.15983	0.2
55.01863	0.8
55.05494	0.5
56.96558	1.5
57.07064	0.3
63.02370	1.0
65.03614	0.2
65.03937	3.1
66.01090	0.2
67.01863	0.2
67.05489	1.0
68.99777	1.0
69.03426	2.5
69.07036	0.2
70.69807	0.2
71.05026	0.2
71.95245	0.4
79.01833	0.6
79.05499	1.1
80.02206	0.2
80.02633	2.8
81.03419	1.3
81.07036	0.5
82.04189	0.5
83.04963	1.2
85.02901	0.3
91.01818	0.2
91.05456	0.6
92.02611	0.2
93.03402	2.0
93.07061	1.0
94.04179	0.6
95.01324	4.2
95.04961	8.2
95.08605	0.5
97.06533	1.2
98.97577	9.7
99.04417	0.2
105.07041	0.2
107.01336	0.1
107.04949	0.6
107.08588	0.9
108.02097	0.9
109.02878	1.3
109.06505	0.3
109.10158	0.2
109.59032	0.2
109.74251	0.2
110.03678	0.9
111.03733	0.2
111.04443	3.2
111.05173	0.1
111.77375	0.2
113.05972	0.3
116.98615	9.2
119.01289	0.3
119.08566	0.4
121.02872	1.4
121.06477	0.5
121.10133	0.5
122.03642	0.6
123.00749	1.2
123.04420	2.0
123.08068	0.3
125.02328	0.9
125.05984	3.8
134.99643	6.7
135.04375	0.5
135.08034	0.4
135.11678	0.5
136.01550	0.5
136.07535	0.2
137.02328	1.0
138.03113	17.4
139.03928	1.7
140.00195	1.1
141.01814	0.2
141.05455	0.9
145.10103	0.6
149.02333	0.5
149.06013	0.3
151.03905	2.5
153.00690	1.2
153.05428	1.0
154.02611	0.2
155.03351	1.2
158.01262	1.1
163.03899	0.5
163.07527	0.6
163.11136	1.0
166.02609	6.7
167.03326	0.4
181.04941	100.0
181.12123	1.2
182.05293	3.4
184.03656	10.3
185.03978	0.2
192.79337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.01589	0.2
51.02369	0.2
52.03143	0.2
53.00280	0.2
53.03947	0.8
54.86756	0.1
55.01864	0.5
55.05502	0.5
56.96563	2.2
57.03416	0.3
57.07056	0.2
63.02370	0.8
65.03624	0.2
65.03940	2.8
67.01850	0.3
67.05494	0.9
68.02642	0.2
68.99792	0.8
69.03429	2.2
69.07047	0.4
70.71129	0.4
71.04986	0.1
71.95251	0.4
72.42561	0.1
79.01844	0.7
79.05495	1.0
80.02635	2.8
81.03408	1.1
81.07034	0.6
82.04186	0.5
83.01316	0.1
83.04974	1.7
85.02894	0.3
91.05478	0.7
92.02654	0.2
93.03402	2.1
93.07043	1.1
94.04168	0.6
95.01324	3.4
95.04966	7.7
95.08632	0.3
97.06525	1.1
98.97581	8.8
99.04450	0.3
103.05492	0.3
107.04952	0.8
107.08593	0.9
108.02081	0.9
109.02865	1.4
109.06536	0.3
110.03642	0.9
111.03725	0.3
111.04443	3.6
111.08062	0.2
113.05988	0.2
116.98618	10.7
119.08582	0.2
121.02863	1.3
121.06522	0.5
121.10120	1.1
122.03642	0.6
123.00773	0.7
123.04419	1.9
123.08012	0.3
125.02346	0.9
125.05985	4.0
127.03891	0.2
134.99652	11.4
135.04402	0.8
135.08055	0.5
135.11688	0.5
136.01544	0.3
137.02315	0.7
137.05901	0.2
137.09607	0.2
138.03116	15.5
138.42751	0.2
139.03925	1.7
140.00177	1.1
141.01799	0.2
141.05452	0.9
145.02853	0.2
145.10121	0.4
146.59395	0.2
149.02335	0.5
149.06007	0.4
151.03903	2.5
153.00710	2.3
153.05481	1.3
153.07039	0.2
154.02592	0.4
155.03362	1.2
155.59866	0.2
158.01260	2.2
163.03918	0.7
163.11195	1.4
164.07034	0.1
166.02620	5.3
166.07709	0.2
167.03316	0.5
167.49896	0.2
176.02255	0.5
181.04947	100.0
181.12158	1.1
182.05309	2.9
184.03665	11.1
185.04030	0.4
199.05920	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	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.03160	1.1
53.03928	0.5
55.01856	1.9
55.05495	1.3
56.87786	0.5
56.96565	4.9
57.07084	0.6
58.99421	0.4
65.03938	3.4
67.05482	2.0
68.99786	2.0
69.03419	1.8
69.07027	0.7
69.43719	1.8
69.44147	1.8
71.95256	1.0
76.68622	0.5
79.05491	2.6
80.02615	2.5
80.78832	0.4
81.03419	1.2
81.07035	1.3
82.04197	8.9
83.04999	2.1
85.02885	0.7
91.05474	2.2
92.55143	0.5
93.03402	1.5
93.07030	2.7
95.01341	2.6
95.04971	5.1
95.08600	1.0
97.06526	1.3
98.97585	29.2
99.04427	0.7
105.06998	0.7
107.04927	1.1
107.08593	2.9
108.02087	2.4
109.02847	1.6
110.03657	8.2
111.04458	2.5
113.06014	0.5
116.98616	29.5
117.14821	0.5
121.02843	1.5
121.06516	2.2
121.10122	2.6
122.99870	0.5
123.00787	15.9
123.04430	2.3
125.06007	4.9
134.99657	23.6
135.04401	1.5
135.08002	1.1
135.11691	2.6
137.02408	1.1
138.03128	8.5
139.03851	1.9
139.07542	0.7
140.00185	2.5
141.01811	2.1
141.05444	0.5
145.10188	1.1
149.02322	0.5
149.05980	0.6
151.00266	12.1
151.03896	1.5
152.06187	0.6
153.00699	3.7
155.03351	0.5
156.31992	0.5
158.01242	4.4
163.03893	1.6
163.07520	0.5
163.11203	4.2
166.02611	36.7
166.07768	0.7
167.03006	1.1
169.01317	31.8
170.01598	0.5
174.22636	0.4
176.02318	0.5
181.04951	100.0
181.08481	1.9
181.12198	4.5
182.05318	3.3
184.03667	90.4
185.03946	1.8
188.84169	0.5
190.64455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.03148	0.3
53.03929	0.8
55.01860	0.3
56.96542	0.4
58.32818	0.2
63.02377	0.5
65.03944	1.8
67.01864	0.4
67.05481	0.3
68.99783	0.8
69.03123	0.2
69.03432	1.9
76.30661	0.3
79.05483	0.7
80.02631	2.4
81.03404	1.0
82.04196	0.4
83.04970	0.6
83.90762	0.2
93.03400	1.5
93.07014	0.3
94.04156	0.5
95.01320	3.0
95.04967	6.5
97.06509	0.6
98.97572	4.7
108.02079	1.1
109.02858	0.9
110.03658	1.0
111.04424	1.8
113.05949	0.3
116.98621	3.7
121.02829	0.7
123.00781	1.4
123.04430	1.8
125.02340	0.5
125.05981	3.3
134.99655	2.1
136.01582	0.3
137.02312	0.8
138.03116	17.4
139.03719	0.3
141.05499	0.7
144.01437	0.2
149.02394	0.4
151.03897	2.0
153.05453	0.9
154.02559	0.4
155.03427	0.5
163.11247	0.3
166.02614	9.8
181.04947	100.0
182.05293	3.0
184.03674	8.0
185.49921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.6
53.03934	3.9
53.11691	1.1
54.81973	1.2
55.01871	15.8
55.05510	26.1
56.96556	2.0
57.03432	10.5
57.07072	6.8
57.61415	1.1
59.04995	3.5
63.78240	1.0
65.03937	3.7
67.05503	57.9
67.45128	1.1
68.03656	1.0
69.03418	5.9
69.07066	37.1
69.16682	1.9
69.17088	11.6
71.04987	9.8
71.08619	1.3
79.05491	34.6
80.03254	1.1
80.06252	1.3
81.03403	4.9
81.07051	67.3
82.07361	1.3
83.04986	11.2
83.08629	5.5
85.06522	3.8
91.05476	37.7
93.07039	29.5
94.59472	1.1
95.04964	21.5
95.08602	100.0
96.08890	1.2
97.06506	3.7
97.86746	1.1
98.20923	4.3
98.98460	1.3
103.05439	3.3
105.03378	1.4
105.07029	39.1
106.07375	1.4
107.04968	2.8
107.08589	31.3
108.08945	1.1
109.06517	20.3
109.10152	41.0
110.10479	1.4
111.04442	1.1
111.08072	5.1
115.05440	3.0
117.07047	2.6
118.04161	2.6
119.04937	29.1
119.08575	29.3
120.08918	1.3
121.06513	3.5
121.10135	15.7
123.04405	11.6
123.08060	34.3
123.11691	5.5
133.02850	5.0
133.06474	10.3
133.10126	22.7
135.04434	1.9
135.08058	2.5
135.11667	8.8
136.05183	2.4
137.05984	3.5
137.09613	22.7
137.13222	2.9
146.03601	4.8
147.04411	35.2
148.04745	2.1
149.13326	1.5
151.03865	5.9
151.07530	2.7
151.11197	4.4
151.14818	7.4
152.06984	1.9
157.35458	1.3
161.05988	18.2
161.09610	4.3
161.13246	21.8
162.09006	1.4
164.04031	1.3
179.03374	32.6
179.06929	14.3
179.08585	2.7
179.10654	10.5
179.14310	56.7
180.06555	1.2
180.14658	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	179.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67022	2.4
55.01882	11.7
55.05510	27.0
57.03443	25.9
57.07067	5.6
59.04999	2.7
65.03916	4.9
67.05508	31.4
68.05012	2.7
69.03413	11.5
69.07067	25.6
70.62766	5.2
70.63159	5.0
71.04974	6.1
71.14325	2.4
77.03925	2.9
79.05502	34.2
81.07054	64.2
83.04963	10.2
83.08609	6.5
84.31223	2.3
85.06540	6.1
89.03914	2.9
91.04926	2.4
91.05482	52.8
93.07043	56.7
95.04972	19.4
95.06066	2.6
95.08606	79.0
97.06519	8.0
103.05490	2.9
105.03388	10.9
105.06327	3.0
105.07034	62.2
107.08590	62.9
109.05812	4.3
109.06522	71.1
109.10143	34.2
111.08050	5.2
111.37868	3.0
117.64025	2.9
118.04097	3.2
119.04112	4.3
119.04934	37.8
119.08578	44.8
121.06474	3.4
121.10146	68.1
123.03637	3.8
123.04408	18.9
123.08067	45.0
123.11705	13.9
125.09663	22.3
131.08578	2.6
133.02878	39.0
133.06483	13.0
133.10135	55.9
135.04341	4.0
135.11696	26.8
136.05171	4.3
137.05978	20.4
137.08211	5.0
137.09602	11.9
137.13235	12.9
146.03621	4.8
147.03305	3.4
147.04416	45.4
151.03931	16.8
151.07526	10.0
151.11162	8.2
161.02365	6.3
161.06000	23.5
161.09636	9.1
161.13258	86.1
162.13606	4.6
164.04663	3.8
176.50766	2.7
177.79886	2.9
179.03397	58.5
179.07094	51.5
179.10698	15.4
179.14304	100.0
179.17911	4.1
180.03847	3.3
180.14708	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.67022	2.4
55.01882	11.7
55.05510	27.0
57.03443	25.9
57.07067	5.6
59.04999	2.7
65.03916	4.9
67.05508	31.4
68.05012	2.7
69.03413	11.5
69.07067	25.6
70.62766	5.2
70.63159	5.0
71.04974	6.1
71.14325	2.4
77.03925	2.9
79.05502	34.2
81.07054	64.2
83.04963	10.2
83.08609	6.5
84.31223	2.3
85.06540	6.1
89.03914	2.9
91.04926	2.4
91.05482	52.8
93.07043	56.7
95.04972	19.4
95.06066	2.6
95.08606	79.0
97.06519	8.0
103.05490	2.9
105.03388	10.9
105.06327	3.0
105.07034	62.2
107.08590	62.9
109.05812	4.3
109.06522	71.1
109.10143	34.2
111.08050	5.2
111.37868	3.0
117.64025	2.9
118.04097	3.2
119.04112	4.3
119.04934	37.8
119.08578	44.8
121.06474	3.4
121.10146	68.1
123.03637	3.8
123.04408	18.9
123.08067	45.0
123.11705	13.9
125.09663	22.3
131.08578	2.6
133.02878	39.0
133.06483	13.0
133.10135	55.9
135.04341	4.0
135.11696	26.8
136.05171	4.3
137.05978	20.4
137.08211	5.0
137.09602	11.9
137.13235	12.9
146.03621	4.8
147.03305	3.4
147.04416	45.4
151.03931	16.8
151.07526	10.0
151.11162	8.2
161.02365	6.3
161.06000	23.5
161.09636	9.1
161.13258	86.1
162.13606	4.6
164.04663	3.8
176.50766	2.7
177.79886	2.9
179.03397	58.5
179.07094	51.5
179.10698	15.4
179.14304	100.0
179.17911	4.1
180.03847	3.3
180.14708	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.02925	1.5
53.03934	7.3
55.01868	16.4
55.05240	1.6
55.05509	29.4
57.03419	6.0
57.03678	1.4
57.07053	2.2
57.52480	1.3
65.03922	5.0
67.05502	94.5
69.03429	2.8
69.07068	13.2
71.04975	3.7
71.43135	3.0
77.03911	2.5
79.05489	72.2
81.03414	23.7
81.07051	100.0
82.07365	1.8
83.04978	32.7
83.08616	10.7
85.06539	4.3
91.05479	74.0
93.07043	48.9
95.04952	17.2
95.08601	81.9
96.08920	2.2
97.06522	33.6
97.10143	2.9
99.08111	2.2
103.05490	2.2
105.04537	1.7
105.07024	48.7
107.04938	1.9
107.08585	97.6
108.08904	2.3
109.06513	12.2
109.10154	16.1
111.04424	1.8
111.08081	9.8
113.09630	7.3
117.07035	1.9
118.04076	1.6
119.04936	16.1
119.08578	49.1
120.08879	1.9
121.06445	2.1
121.10149	15.1
123.04422	7.8
123.08065	29.5
123.11710	2.2
131.08545	2.0
133.02817	4.4
133.06471	7.4
133.10127	30.7
135.11707	12.6
136.02127	1.4
136.05182	2.9
137.06000	2.3
137.09613	6.5
138.54570	1.3
146.03586	2.4
147.01332	1.3
147.04411	20.2
151.03946	3.1
151.07536	3.8
151.11250	2.5
152.07098	1.5
159.11664	1.6
161.05949	10.3
161.09605	3.1
161.13246	52.1
162.13600	1.6
179.03403	20.6
179.06897	11.2
179.08624	2.4
179.10678	7.1
179.14299	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.48254	1.4
53.03926	4.0
55.01871	21.4
55.05276	1.7
55.05510	26.3
56.96557	2.6
57.00289	1.3
57.03440	9.4
57.07064	5.5
57.86096	1.7
59.04976	1.9
62.62700	1.5
65.03911	4.3
67.05502	66.8
69.03413	6.3
69.07066	41.3
70.01943	8.5
71.04988	9.5
73.32474	1.4
77.03917	1.9
79.05492	36.7
81.03403	6.4
81.07053	74.2
81.07533	3.8
82.07409	2.4
83.04964	11.2
83.08602	4.6
85.06536	3.0
90.04638	1.6
91.05479	46.6
92.05829	1.8
93.06486	2.8
93.07037	38.0
95.04963	27.1
95.08604	100.0
96.08951	2.5
97.06531	5.7
98.20879	2.0
98.98435	3.6
103.05439	5.0
105.03382	3.9
105.07026	46.9
107.04942	5.2
107.08589	35.9
108.08916	2.3
109.02858	1.9
109.06506	21.8
109.10155	52.7
111.04411	2.5
111.08054	6.5
115.05466	3.7
117.06989	5.4
118.04166	3.7
119.04943	28.5
119.08579	38.0
121.02819	2.3
121.06480	4.3
121.10133	14.1
123.04456	15.9
123.08064	36.5
123.11681	5.5
131.08612	1.7
133.02855	9.1
133.06476	14.3
133.10123	28.1
135.04414	2.5
135.08080	2.4
135.11670	10.5
136.05180	5.2
137.05960	5.5
137.09616	24.3
137.13240	3.0
146.03632	6.6
147.04402	42.6
151.03915	7.9
151.07509	5.0
151.11159	6.6
151.14796	10.0
152.07004	1.9
161.06009	22.5
161.09618	6.3
161.13245	26.4
163.07542	2.7
164.03996	2.9
179.03398	46.1
179.06935	21.6
179.08560	3.2
179.10683	16.2
179.14297	58.8
180.03903	1.9
180.14598	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	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02382	0.6
53.00309	0.3
53.03942	0.7
54.03470	0.5
55.01871	4.6
55.05517	0.6
56.05033	1.0
56.96564	3.8
57.03433	1.0
58.06591	0.5
65.03935	3.5
67.02982	0.4
67.05506	2.7
67.69841	0.3
68.05010	1.8
68.99761	0.8
69.03432	1.0
69.04556	1.0
70.06594	1.2
70.76218	0.4
70.76537	0.7
71.04979	0.5
73.02905	0.5
77.03920	0.6
79.05494	4.9
80.05009	0.5
81.03439	0.5
81.04536	0.8
81.07055	2.6
83.04990	0.6
83.06107	1.9
84.04503	0.5
85.02895	0.9
89.03918	0.8
91.05478	48.9
91.37444	0.3
92.05815	1.0
93.07041	1.3
94.04188	0.4
95.04979	3.9
95.06100	1.9
95.08605	1.8
96.04469	0.4
97.02883	0.8
97.07628	0.6
98.07168	0.5
98.97575	0.9
103.05464	1.3
105.03400	1.9
105.04497	0.6
105.07024	5.1
106.06548	1.2
107.04949	1.4
107.06087	0.4
107.08588	0.7
108.04494	0.6
108.05727	0.7
108.08112	0.9
109.02892	0.9
109.06509	1.1
109.07639	0.5
109.10160	0.8
110.06083	0.4
110.07188	1.2
111.04461	0.5
111.05563	0.4
115.05441	0.5
116.98630	0.8
117.07025	0.4
117.11087	0.4
118.04162	1.4
119.04936	87.7
119.08556	1.8
120.05297	1.7
121.06486	1.5
121.10155	0.7
122.03700	0.8
122.07143	0.6
123.04424	6.2
123.05434	0.6
123.05578	0.6
123.08058	1.6
124.08728	0.6
127.03907	0.6
132.07964	0.5
133.02834	3.1
133.04848	0.4
133.06488	5.2
133.07498	0.7
133.10091	2.7
134.06001	2.1
134.07108	1.1
135.04408	1.2
135.11728	0.6
136.05196	3.3
136.07584	0.6
136.08772	0.5
137.05971	11.4
137.08195	2.8
137.09634	0.8
138.06549	0.8
141.05455	0.5
141.06541	0.5
146.03624	1.5
147.04404	100.0
148.04738	2.4
149.01147	0.4
150.06723	0.8
151.03937	3.0
151.06357	0.6
151.07533	5.9
151.11131	0.8
152.07031	0.5
152.08160	1.4
155.99658	0.8
158.09355	0.4
161.02393	1.0
161.04597	0.6
161.05974	6.1
161.08244	0.8
161.09602	1.7
161.13255	1.4
162.05435	0.9
162.09193	0.4
162.10381	0.4
163.07532	0.5
164.04680	2.8
165.05444	0.8
165.09070	0.5
174.00761	3.0
179.03413	12.5
179.07019	30.0
179.09369	1.4
179.10678	2.9
179.12941	0.4
179.14285	1.4
180.06348	0.6
180.07602	0.5
180.08884	0.8
183.18507	0.4
192.01709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.01612	0.3
53.03922	0.6
55.01873	2.9
55.05486	1.0
56.96551	0.4
57.07046	0.4
65.03939	1.7
67.05499	2.2
68.05031	0.3
68.99776	0.8
69.03410	0.9
69.07043	1.0
69.33212	2.3
71.04970	0.4
79.05492	2.4
80.06268	0.4
81.06676	0.3
81.07053	3.9
83.04951	0.5
89.03903	0.6
91.05480	28.9
92.05791	0.7
93.07046	2.2
95.04963	2.1
95.06071	0.5
95.08606	3.7
97.06516	0.6
97.98619	0.3
103.05461	0.5
105.03396	0.9
105.06326	0.3
105.07027	6.5
107.04957	0.7
107.08595	2.3
108.05710	0.7
109.06507	2.5
109.10162	1.9
111.04496	0.5
115.05458	0.4
117.07037	0.3
118.04154	0.9
119.04939	100.0
119.08557	3.4
120.05266	2.5
121.02899	0.4
121.06535	0.5
121.10115	1.6
122.03632	0.5
123.04424	3.9
123.08095	1.7
123.11707	0.9
131.08534	0.3
133.02875	1.5
133.06496	2.5
133.10132	5.3
135.04454	1.0
135.11697	0.7
136.05194	1.3
137.05975	5.4
137.08221	0.6
137.09604	1.2
138.06601	0.4
143.08643	0.3
146.03600	1.2
147.04407	55.2
148.04755	1.5
149.02415	0.4
149.05992	0.3
151.03894	1.4
151.07539	1.3
151.11197	1.2
161.05989	4.0
161.09622	1.9
161.13269	3.3
163.03931	0.9
164.04710	3.6
165.05380	0.4
179.03410	6.9
179.07060	20.1
179.10590	2.5
179.14297	4.2
180.07397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01684	0.1
55.01868	1.4
55.05493	0.3
56.96558	0.2
65.03941	1.4
67.05494	0.6
68.07922	0.2
68.25360	0.2
68.99771	0.7
75.43275	0.2
79.05500	0.9
81.07053	0.7
81.67854	0.2
91.05476	23.9
92.05795	0.4
93.07050	0.6
95.04956	0.6
95.08614	0.9
103.05456	0.3
105.03389	0.7
105.07031	1.5
107.04951	0.4
107.08588	0.6
108.05696	0.3
109.06485	0.4
109.10123	0.5
111.04494	0.2
115.05437	0.3
118.04147	0.7
119.04935	100.0
119.08601	0.7
120.05262	1.9
121.10114	0.5
123.04434	1.0
123.08051	0.4
133.06442	0.9
133.10103	0.9
135.04391	0.3
135.11679	0.2
136.05200	0.6
137.05954	2.1
137.09613	0.2
146.03659	0.6
147.04401	47.6
148.04713	1.6
151.03876	0.4
151.07590	0.3
161.05960	1.3
161.09607	0.5
161.13239	0.7
164.04707	2.4
165.05415	0.2
179.03445	2.4
179.07047	11.3
179.10632	0.7
179.14326	0.7
180.07530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
52.49434	0.3
53.03941	0.9
55.01872	3.7
55.05503	0.7
56.05039	0.5
57.03450	0.4
59.05006	0.3
65.03930	0.7
67.05505	3.0
68.05025	0.9
68.99780	0.4
69.03438	0.4
69.07066	0.5
71.50578	0.4
72.62308	0.3
77.03928	1.2
79.05489	2.8
81.03397	0.4
81.04539	0.6
81.07053	2.6
83.04976	0.8
83.06108	1.0
85.06563	0.4
89.03914	2.2
91.05479	8.4
93.07026	2.0
94.04129	0.3
95.04962	3.1
95.06078	2.0
95.08622	2.5
97.04012	0.4
97.06519	0.4
97.07665	0.5
103.05441	0.8
105.03385	4.6
105.04492	0.4
105.07030	6.4
106.06612	0.4
107.04945	1.4
107.08575	1.0
108.05694	0.4
108.39887	0.3
109.02853	0.7
109.06499	1.5
109.10137	1.1
110.06030	0.3
110.07154	0.6
111.04417	0.7
115.05425	1.1
117.03386	0.7
117.07023	1.1
118.04122	0.5
119.04940	7.8
119.05791	0.4
119.08592	3.0
120.05616	0.5
120.08096	0.6
121.06473	0.8
121.10164	0.8
122.03612	0.3
123.04424	41.9
123.08008	1.8
124.04761	0.8
126.58298	0.3
131.08594	0.4
133.02849	30.8
133.06483	3.4
133.10121	4.5
134.03137	0.7
134.07129	1.0
135.04422	4.9
135.08089	0.7
135.11719	0.4
136.05153	0.9
137.02336	0.4
137.05975	4.1
137.08234	3.2
137.09535	1.8
139.07401	0.4
146.03627	0.8
147.03244	0.6
147.04413	11.7
149.06021	0.4
151.03905	10.9
151.07532	2.9
151.11185	1.0
152.04143	0.4
152.08176	0.9
161.02328	0.6
161.05981	5.4
161.08238	0.7
161.09607	1.7
161.13260	1.6
162.05399	0.3
162.06609	0.4
162.10172	0.3
164.04657	0.9
179.03389	100.0
179.09262	1.2
179.10539	4.3
179.14244	2.3
180.03728	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	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02369	0.3
52.49434	0.3
53.03941	0.9
55.01872	3.7
55.05503	0.7
56.05039	0.5
57.03450	0.4
59.05006	0.3
65.03930	0.7
67.05505	3.0
68.05025	0.9
68.99780	0.4
69.03438	0.4
69.07066	0.5
71.50578	0.4
72.62308	0.3
77.03928	1.2
79.05489	2.8
81.03397	0.4
81.04539	0.6
81.07053	2.6
83.04976	0.8
83.06108	1.0
85.06563	0.4
89.03914	2.2
91.05479	8.4
93.07026	2.0
94.04129	0.3
95.04962	3.1
95.06078	2.0
95.08622	2.5
97.04012	0.4
97.06519	0.4
97.07665	0.5
103.05441	0.8
105.03385	4.6
105.04492	0.4
105.07030	6.4
106.06612	0.4
107.04945	1.4
107.08575	1.0
108.05694	0.4
108.39887	0.3
109.02853	0.7
109.06499	1.5
109.10137	1.1
110.06030	0.3
110.07154	0.6
111.04417	0.7
115.05425	1.1
117.03386	0.7
117.07023	1.1
118.04122	0.5
119.04940	7.8
119.05791	0.4
119.08592	3.0
120.05616	0.5
120.08096	0.6
121.06473	0.8
121.10164	0.8
122.03612	0.3
123.04424	41.9
123.08008	1.8
124.04761	0.8
126.58298	0.3
131.08594	0.4
133.02849	30.8
133.06483	3.4
133.10121	4.5
134.03137	0.7
134.07129	1.0
135.04422	4.9
135.08089	0.7
135.11719	0.4
136.05153	0.9
137.02336	0.4
137.05975	4.1
137.08234	3.2
137.09535	1.8
139.07401	0.4
146.03627	0.8
147.03244	0.6
147.04413	11.7
149.06021	0.4
151.03905	10.9
151.07532	2.9
151.11185	1.0
152.04143	0.4
152.08176	0.9
161.02328	0.6
161.05981	5.4
161.08238	0.7
161.09607	1.7
161.13260	1.6
162.05399	0.3
162.06609	0.4
162.10172	0.3
164.04657	0.9
179.03389	100.0
179.09262	1.2
179.10539	4.3
179.14244	2.3
180.03728	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.31863	0.8
52.72662	1.0
53.03934	2.4
54.34451	0.8
55.05275	1.1
55.05514	16.6
57.07069	1.8
58.04171	0.8
67.05506	10.5
69.07068	31.1
69.94986	5.5
72.46775	0.9
79.05028	1.2
79.05493	29.6
81.07056	82.0
82.07383	1.3
83.08156	1.3
83.08619	16.3
89.03881	1.4
91.05476	9.3
93.07042	49.9
95.04972	2.1
95.08607	60.9
97.10172	8.0
98.98466	1.6
105.07036	8.8
107.08592	97.5
108.08889	1.7
109.02847	2.0
109.06517	1.8
109.10159	18.1
117.03358	1.7
117.21609	0.9
119.08582	2.3
121.06486	1.4
121.10142	100.0
122.10490	2.8
135.11687	16.3
145.02835	1.7
149.13293	5.3
177.05499	1.7
177.08868	0.9
177.16383	73.8
178.16673	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	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01848	1.1
55.05278	1.1
55.05507	16.4
57.07069	2.1
59.97486	0.9
64.46836	0.9
64.79451	0.9
65.03925	1.6
66.92591	1.0
67.05496	10.7
69.07064	28.8
70.21975	4.0
76.52387	1.0
77.03902	1.1
79.05489	28.8
79.63378	0.9
81.03393	1.6
81.07050	43.0
81.07533	2.1
82.07361	1.0
83.08612	13.0
88.02217	1.2
89.03909	7.4
91.05461	14.1
93.07034	54.3
94.07376	1.2
95.04965	4.6
95.08601	56.2
96.08942	1.3
97.10143	6.7
98.98463	8.6
100.95489	1.1
103.05442	6.5
105.04463	0.9
105.07011	8.2
107.04943	4.4
107.08582	84.8
108.08878	1.4
109.02858	16.8
109.06499	2.1
109.10139	19.9
117.03366	11.1
119.08562	3.2
121.02879	1.9
121.06535	5.3
121.10133	100.0
122.10467	3.4
131.04918	4.4
131.08563	2.9
133.10133	2.1
134.03610	2.5
135.04395	4.2
135.11681	19.8
145.02832	17.3
149.02303	3.2
149.05984	10.2
149.13303	5.5
158.90518	1.0
158.93141	0.9
159.04352	1.4
159.08058	1.5
159.11720	2.7
162.03160	1.2
162.06676	1.2
177.05435	14.8
177.09106	2.5
177.12856	7.2
177.16370	72.0
178.08525	1.2
178.13319	1.0
178.16765	2.2
186.05426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03923	1.5
55.05508	16.4
57.07083	1.7
61.49014	1.2
67.05504	11.0
69.07070	31.9
69.51579	5.2
69.51998	4.1
79.05492	31.2
81.07057	94.2
82.07399	1.2
83.08629	13.1
83.90927	1.3
89.03903	3.7
91.05477	11.4
93.07046	52.3
95.04963	1.8
95.08609	62.5
97.10168	7.3
98.98435	1.4
99.81280	1.3
105.07020	7.0
107.08596	100.0
108.08885	2.7
109.02867	1.9
109.06476	2.3
109.10165	16.1
117.03365	5.6
119.08591	2.4
121.10144	94.5
122.10458	1.5
131.05003	1.6
135.04286	1.2
135.11690	16.9
145.02864	6.2
149.06035	3.3
149.13274	7.9
177.05496	2.0
177.16389	73.2
178.16699	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	1.8
55.01856	1.1
55.05508	18.6
57.07053	1.4
65.03922	1.0
67.05498	13.8
69.03427	0.9
69.07065	30.3
70.96894	2.0
70.97248	1.0
78.63237	0.8
79.05489	30.3
81.03379	1.0
81.07050	58.1
82.07365	1.0
83.08613	13.9
89.03913	4.7
91.04916	0.8
91.05474	14.2
93.07037	56.5
95.04945	2.7
95.08600	61.2
97.10159	7.3
98.98463	9.2
103.05492	4.0
105.07029	10.4
106.04192	1.5
107.04957	2.9
107.08584	90.5
108.08916	2.1
109.02870	16.1
109.06503	2.0
109.10147	20.4
117.03363	7.6
117.07002	1.4
119.08555	3.5
119.50520	0.8
121.02832	2.4
121.06511	4.2
121.10133	100.0
122.10482	1.8
123.08070	1.0
123.11626	1.2
131.04922	1.5
131.08549	3.3
133.10112	2.2
134.03627	1.3
135.04396	1.4
135.11679	21.8
145.02817	9.1
149.02309	2.9
149.05971	6.0
149.13248	7.8
159.08003	1.2
159.11752	1.9
162.03192	0.9
177.05476	9.0
177.09132	2.3
177.12881	7.4
177.16371	76.5
178.16736	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03940	1.9
55.05507	16.5
57.07070	1.6
61.20558	0.6
61.20858	0.6
65.03936	0.8
67.05502	11.6
69.07064	31.2
71.08634	0.6
71.51860	0.7
71.52237	0.7
79.05489	29.5
81.03403	0.5
81.07051	45.1
83.08613	15.7
89.03909	2.5
91.05473	12.3
93.07037	54.0
94.07381	0.9
95.04951	2.4
95.08601	60.3
96.08919	0.9
97.10175	6.6
98.98453	5.9
103.05440	2.9
105.04523	0.8
105.07025	9.6
107.04964	1.4
107.08585	86.2
108.08901	1.5
109.02863	7.1
109.06499	1.6
109.10144	16.8
117.03379	4.1
117.07012	1.5
119.06089	0.9
119.08551	2.6
121.02853	1.0
121.06504	1.8
121.10136	100.0
122.10430	3.3
123.08044	0.8
131.04871	1.2
131.08546	1.5
133.10121	1.7
134.03601	0.7
135.04369	0.7
135.08057	0.8
135.11684	20.1
145.02803	4.4
145.06473	0.8
149.02292	0.7
149.05956	3.4
149.09624	0.8
149.13246	5.9
159.08003	0.9
159.11658	2.0
173.58324	0.6
177.05453	5.4
177.09128	2.3
177.12918	6.0
177.16376	70.7
178.16754	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02369	2.0
53.03941	4.9
55.01878	4.8
55.05510	21.2
57.03441	4.6
57.07067	2.5
62.25713	0.9
63.02370	2.3
65.03931	3.3
65.82941	0.9
67.05508	14.5
68.99753	0.9
69.03426	6.1
69.06691	1.6
69.07067	31.3
71.04986	5.9
71.32009	1.4
74.42347	0.8
77.03909	1.6
78.04704	4.6
79.05492	46.4
79.15054	0.8
80.05825	1.0
81.03413	2.7
81.07053	36.8
82.07370	1.0
83.04978	4.1
83.08614	10.3
84.92474	0.8
85.06515	1.5
89.03918	53.4
90.04250	1.1
91.05479	52.0
92.05802	1.5
93.07041	80.7
94.07363	2.3
95.04960	15.0
95.08602	29.8
97.06525	3.5
97.10186	1.6
98.98469	11.3
101.76374	0.9
103.05482	10.5
104.17580	0.8
105.03371	2.1
105.04503	1.9
105.07028	32.1
106.04186	8.4
107.04967	13.7
107.08592	67.6
108.08892	0.9
109.02888	14.6
109.06522	10.4
109.10155	7.7
110.03224	0.9
115.05457	4.1
116.06240	2.5
117.03378	80.3
117.07015	21.5
118.03736	2.8
118.07265	0.9
119.04926	2.6
119.06131	1.2
119.08590	17.1
121.02853	4.2
121.06507	26.8
121.07370	1.6
121.10141	54.3
122.07238	1.3
122.10478	1.4
123.08089	3.1
124.05197	2.1
129.07024	8.2
130.07785	3.5
131.04956	6.6
131.08560	32.8
132.08934	1.1
133.06517	2.1
133.10133	9.9
134.03633	11.5
134.07243	0.9
135.04420	11.8
135.08055	11.9
135.11702	14.5
144.09348	8.7
145.02844	100.0
146.03194	4.5
147.08119	2.1
148.08772	2.2
149.02351	3.9
149.04788	2.0
149.05980	39.3
149.09602	4.5
149.13260	14.4
150.06293	2.9
157.10158	1.2
158.06039	1.5
159.04388	3.3
159.08043	2.2
159.11690	27.3
160.07497	1.3
160.12022	1.4
162.03098	5.4
162.10406	1.6
163.03922	3.9
167.77325	0.8
177.05464	57.3
177.09097	14.9
177.12740	47.2
177.16367	21.4
178.05888	1.7
178.13081	1.4
186.05467	4.2
186.67612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.55836	0.7
53.03930	1.9
55.01874	1.2
55.05507	3.2
60.73190	0.6
63.02366	2.1
65.03925	0.9
67.05490	2.4
67.18722	0.6
69.07055	7.6
70.42810	1.3
70.43178	1.2
72.02283	0.7
77.03936	0.8
78.04706	3.7
78.12650	0.6
79.05483	5.2
81.07041	5.2
83.08611	4.6
89.03909	52.5
89.60245	0.7
90.04222	1.4
91.05481	8.4
93.07037	11.5
95.04951	3.0
95.08597	9.8
98.98456	2.2
101.67918	0.6
103.05479	4.0
105.04484	0.7
105.07029	4.2
106.04153	5.6
107.04938	2.7
107.08585	18.4
109.02876	7.5
109.06502	1.1
109.10173	3.1
117.03371	81.2
117.07018	2.0
118.03718	1.8
119.04920	1.2
119.08569	2.4
121.02867	6.1
121.06464	4.7
121.10133	26.3
124.05249	1.0
131.04926	3.4
131.08580	1.9
133.06503	1.0
133.10127	1.1
134.03632	11.3
135.04420	6.6
135.08022	1.1
135.11670	5.2
137.09578	0.6
143.78839	0.6
145.02834	100.0
146.03166	3.6
147.04424	0.9
149.05963	33.3
149.09502	0.9
149.13287	2.0
158.06085	0.9
159.04433	1.0
159.11691	1.4
161.09607	0.8
162.03154	3.0
162.06770	0.8
163.03937	3.4
177.05460	39.5
177.09036	6.6
177.12790	3.5
177.16376	14.6
178.05833	1.2
186.05545	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	177.1021
Annotation	Serotonin
Peak:m/z	Relative Intensity
53.70927	0.4
56.96548	0.8
62.00307	0.4
62.41817	0.4
67.04227	0.7
68.77844	0.4
71.02623	0.8
78.23241	0.4
81.25937	0.4
89.03897	1.2
91.05475	0.8
93.17723	0.3
95.08638	0.4
96.31391	0.4
98.97582	2.5
98.98457	1.3
103.05448	0.6
104.05030	0.5
105.07019	1.9
109.02881	1.6
109.07643	0.4
115.05450	4.9
116.98624	1.7
117.03331	1.5
117.05750	2.5
121.06461	0.6
131.04918	0.8
131.06845	0.9
132.04443	1.2
132.08086	6.9
133.06487	1.5
134.99611	0.7
137.02309	0.7
142.06516	1.5
143.07265	0.6
145.02864	1.5
149.02431	0.7
149.05943	1.1
150.05441	0.8
159.06706	1.2
160.07570	100.0
161.07883	2.6
177.05408	0.8
177.07381	1.3
177.12622	0.5
178.05023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01868	0.5
55.05508	0.5
63.02379	1.1
78.04716	2.8
79.05480	1.1
81.07061	0.9
89.03912	42.5
90.04263	0.8
91.05482	4.0
93.07024	2.3
95.04957	1.4
95.08611	1.1
98.98464	0.5
103.05461	2.0
105.00568	0.4
105.03406	0.4
105.07014	1.2
106.04163	4.6
107.04967	0.7
107.08578	2.2
109.02861	0.9
109.07936	0.4
109.10125	0.4
111.04398	0.5
117.03373	77.7
118.03652	2.3
119.04907	0.6
121.02855	0.4
121.06485	1.8
121.10127	2.6
124.05188	0.9
130.41505	0.4
131.04907	0.9
131.08531	0.6
134.02646	0.8
134.03618	11.2
135.04427	5.9
135.11667	0.8
145.02835	100.0
146.03152	2.6
149.05966	25.0
150.06285	0.8
158.05983	1.4
159.11681	0.5
162.03149	2.2
163.03912	3.3
170.75905	0.4
177.05457	29.8
177.09045	1.8
177.12740	1.2
177.16371	1.2
178.05766	1.1
186.05478	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.95839	0.5
53.03951	0.8
54.85538	0.5
55.01870	0.9
63.02380	1.3
68.13091	0.5
69.07053	0.6
69.46394	1.6
69.46821	2.4
78.04703	3.3
79.05499	1.7
81.03397	0.5
81.07046	1.0
89.03913	44.4
91.05471	5.3
93.07040	1.9
95.04974	2.1
95.08592	1.4
98.98492	0.8
103.05459	7.9
105.03342	0.7
105.04494	0.6
105.07017	1.6
106.04166	6.7
106.04808	0.8
107.04958	1.2
107.08575	1.6
109.02848	1.3
115.05434	0.6
117.03372	79.2
118.03707	2.0
119.04953	0.7
121.02869	2.2
121.06497	3.6
121.10098	2.6
124.05196	0.9
131.04872	2.5
131.08531	0.8
134.03625	10.9
135.04407	6.6
135.08055	0.9
135.11653	0.8
145.02835	100.0
146.03188	2.2
149.05974	30.4
150.06310	1.1
158.05945	1.3
159.11728	0.9
162.03111	2.1
162.37538	0.6
163.03941	3.4
171.23439	0.6
177.05463	34.8
177.09003	3.4
177.12698	1.3
177.16374	1.6
178.05765	1.3
186.05476	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
53.03946	0.8
53.89702	0.5
55.01856	1.1
68.99776	1.1
70.67589	0.9
70.67921	0.7
78.04716	1.1
79.05487	4.4
79.93374	0.4
81.07066	2.3
88.82941	0.5
89.03915	17.9
90.04254	0.7
91.05481	2.8
93.07050	1.9
95.04359	0.6
95.04958	4.7
95.77061	0.5
98.98399	0.5
102.04663	0.7
103.05496	10.2
105.04530	0.7
105.06992	0.6
106.04173	1.7
107.04954	19.1
107.08607	1.2
109.02888	1.9
117.03372	29.7
118.03683	0.8
119.04932	0.5
121.02877	2.3
121.06507	8.2
121.10093	1.2
131.04938	15.5
132.05278	1.1
132.08086	0.8
134.03638	3.8
135.04413	9.5
145.02841	47.1
146.03177	1.3
147.04420	1.0
148.04744	3.6
149.02246	0.7
149.05980	30.9
150.06345	0.8
157.68539	0.5
159.04410	4.1
160.05257	0.6
160.07594	1.8
162.03210	1.1
163.03931	2.6
177.05446	100.0
177.16379	0.6
178.05838	3.1
186.05534	1.5
187.04916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01611	0.4
53.03935	0.8
54.85794	0.3
63.02373	1.8
65.03963	0.4
69.03455	0.4
71.26995	0.7
78.04693	3.7
79.05476	1.5
89.03911	50.9
90.04243	1.3
91.05468	3.6
93.07037	1.7
95.04964	1.6
95.08609	0.4
98.98462	0.8
103.05452	2.9
105.03403	0.8
105.07018	1.3
106.04153	3.6
107.04959	0.5
107.08572	1.1
109.02867	1.8
117.03369	83.3
118.03697	1.3
119.04935	0.5
119.08553	0.4
121.02870	0.7
121.06488	2.1
121.10122	2.0
124.05183	1.2
131.04918	1.3
131.08554	0.6
132.08087	0.7
134.03625	10.7
135.04411	6.1
141.08850	0.4
145.02834	100.0
146.03165	2.9
147.04460	0.6
149.05966	25.2
149.09572	0.6
150.06323	0.8
158.05977	1.0
159.04395	0.6
160.07584	1.1
162.03139	1.8
163.03877	2.7
177.05458	27.8
177.09004	0.9
177.12723	0.9
178.05830	0.7
186.05484	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03943	3.7
55.01876	6.9
63.02347	1.3
64.89799	0.8
68.99799	6.9
70.06830	3.9
70.07132	1.1
77.03928	1.0
78.04701	3.1
79.05491	8.6
80.27856	0.7
81.07059	5.4
83.01335	0.7
83.26917	0.6
87.82238	0.8
89.03918	58.7
90.04237	1.9
91.05482	16.0
91.71194	0.8
93.07040	17.1
95.04962	10.0
99.75438	0.9
103.05467	30.5
105.03369	1.1
105.04495	1.9
105.07027	9.7
106.04179	4.5
107.04955	19.1
109.02856	1.6
109.44967	0.7
110.21926	0.8
117.03378	88.4
118.03710	3.0
121.02837	2.1
121.06506	56.9
122.06818	2.1
131.04926	19.9
134.03629	13.7
135.04430	11.5
145.02846	93.6
146.03177	3.0
149.05980	100.0
149.45270	0.9
150.06332	2.9
159.04420	8.4
162.03177	2.4
163.03912	2.4
172.67769	0.9
177.05467	95.8
178.05800	3.5
186.05473	1.5
186.68057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone
Peak:m/z	Relative Intensity
50.91718	0.5
51.63339	0.4
53.03937	0.8
55.01863	1.4
58.24824	0.5
61.38790	0.4
61.47788	0.5
63.02375	1.5
65.03934	1.5
69.03414	0.5
69.38581	3.6
69.38988	1.3
78.04707	3.4
79.05492	1.5
81.07052	0.8
89.03915	53.6
90.04249	1.2
91.05469	5.3
93.07040	2.8
93.65441	0.6
95.04961	1.3
95.08580	0.6
98.21484	0.7
98.98462	1.0
103.05458	6.6
105.03410	1.1
105.07030	2.0
106.04159	5.1
107.04971	2.4
107.08579	1.3
109.02864	1.6
111.04435	3.9
115.05492	0.6
117.03374	84.5
117.07018	1.5
118.03721	1.7
119.04938	2.1
121.02861	47.1
121.06499	6.7
121.10149	1.5
122.03192	1.2
124.05175	0.7
131.04924	11.4
131.08582	0.8
133.06474	1.2
134.03633	11.7
135.04431	7.4
145.02838	100.0
146.03159	3.4
146.07298	0.9
147.04417	1.0
149.05977	42.5
150.06316	1.6
158.06071	0.9
159.04375	0.6
162.03087	2.1
162.06694	0.7
163.03914	2.8
177.05467	43.9
177.09021	4.8
177.12727	1.2
177.16353	0.5
178.05821	1.9
185.48930	0.5
186.05498	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01865	2.2
56.96566	7.0
57.03426	2.5
58.99858	1.7
60.95851	0.7
61.02915	2.1
69.03445	4.0
69.77143	0.5
70.06577	2.0
70.51836	1.0
71.04987	2.4
71.06903	0.8
71.95222	0.7
72.08157	0.7
73.02908	5.2
74.97593	0.8
77.00874	0.9
79.05488	1.4
80.01357	0.7
81.03441	2.8
81.07047	0.6
83.00796	1.3
85.02908	4.6
88.04026	0.6
88.62117	0.6
89.03919	4.2
91.05465	1.9
92.01273	0.7
93.07030	1.3
95.04936	0.9
95.08607	1.0
96.01546	0.7
97.02895	5.4
98.01296	0.8
98.20731	0.6
98.97581	11.5
98.98471	2.5
99.04412	0.5
100.02481	2.0
101.00862	3.5
102.02377	1.0
103.00632	1.5
103.02426	1.7
103.03178	0.7
103.05465	1.8
105.02134	1.1
105.07048	0.9
106.02847	0.7
107.04964	2.4
107.08612	0.8
109.02866	5.3
110.01274	2.2
111.02071	1.0
111.02889	0.8
111.53056	0.9
112.99161	0.8
113.00866	17.4
115.02448	1.6
115.04013	0.7
115.05455	1.8
116.98626	9.4
117.02078	1.3
117.03389	4.3
118.01086	0.8
118.03564	1.1
119.01891	10.1
120.02041	2.0
121.01654	5.8
121.03490	0.7
121.06502	1.7
121.10143	1.2
124.01012	0.7
127.03929	1.8
128.02342	5.2
128.98630	0.9
129.03972	2.1
131.01909	100.0
131.04900	3.2
132.01941	3.4
132.04480	0.9
132.08086	1.8
132.68462	0.6
133.03416	2.9
134.03691	0.8
134.99655	4.7
135.03204	1.6
135.04301	0.8
136.02473	4.0
137.00864	0.7
137.02879	2.0
139.02632	1.4
139.53099	1.0
143.01958	1.3
144.99849	0.8
145.02701	5.0
146.03482	1.0
146.99663	1.0
147.03062	0.8
147.05028	2.2
149.01196	1.2
149.02982	21.8
149.05972	4.5
150.03107	1.3
154.03493	46.1
155.01894	5.4
155.03693	1.7
156.01932	0.7
157.03535	0.6
159.04381	0.9
160.07591	20.1
161.01334	0.9
161.02954	2.0
162.03172	0.9
163.02705	1.3
165.05971	0.6
172.01590	0.8
172.04494	7.9
173.01395	1.2
173.02962	13.6
175.04715	0.6
177.00739	0.9
177.02565	1.1
177.04111	1.3
177.05415	5.8
177.07626	0.9
177.09079	1.1
177.10681	0.8
177.12541	0.7
177.16243	0.8
178.05040	1.0
185.03047	1.6
186.04588	0.7
187.04581	0.8
190.02686	0.6
191.02350	1.1
191.04036	1.9
191.05733	0.7
196.04608	0.9
196.68436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71216	1.2
51.02373	1.5
52.60305	1.3
53.03927	5.8
55.01873	6.6
55.05494	5.7
55.88073	1.2
56.96564	45.0
57.03412	5.1
57.97364	1.3
59.04972	1.5
59.06108	2.8
61.02899	2.8
65.03920	4.0
67.05484	3.8
68.05001	1.6
69.03429	7.9
69.07056	8.2
70.03736	4.2
70.04141	2.3
70.06571	2.3
71.04983	1.7
71.95248	3.6
73.02907	5.5
73.06555	1.4
77.00895	1.1
77.03905	1.8
78.04708	2.7
79.05485	11.6
81.03407	11.4
81.04512	1.4
81.07044	7.2
83.04990	1.5
83.08586	2.2
84.96058	1.4
85.02891	6.6
86.03214	1.4
87.05561	4.6
87.81270	1.3
88.78211	1.2
89.03909	28.9
91.05474	15.9
93.07032	14.5
94.06547	2.1
95.04959	8.8
95.06075	2.0
95.08577	5.2
97.02883	9.4
98.97567	86.2
98.98449	20.9
99.04395	2.5
100.99004	1.8
101.00831	1.2
103.02470	1.4
103.05454	16.6
104.05000	2.5
104.94836	1.3
105.04482	1.7
105.07037	6.9
106.04142	2.5
107.04954	18.8
107.08592	13.6
109.02872	56.1
109.07600	1.4
109.10152	3.2
110.01271	1.7
110.97562	2.7
112.99112	2.1
113.00832	4.8
115.05440	8.0
116.06178	1.4
116.10709	4.7
116.98611	100.0
117.02084	2.5
117.03373	40.4
117.05760	3.4
117.07008	2.3
117.98927	2.0
118.96764	2.7
119.01878	8.2
119.04881	2.1
119.08559	3.7
120.02029	1.9
121.01594	3.2
121.02860	5.9
121.05113	1.6
121.06487	14.7
121.07474	2.2
121.10120	15.7
122.07127	1.7
123.04408	11.6
127.03938	2.3
128.02303	5.3
128.98590	4.4
129.51775	1.5
131.00179	4.1
131.01897	33.6
131.03510	1.4
131.03976	2.0
131.04907	15.4
131.05980	3.2
131.08559	5.9
132.04417	6.5
132.08081	9.0
133.06522	2.0
134.03683	8.5
134.99651	95.9
135.04407	8.1
135.05388	1.8
135.06538	1.7
135.08083	2.8
135.11661	3.4
136.06078	1.6
136.07590	1.7
137.02905	4.2
137.05934	2.9
137.08362	1.3
140.00206	4.6
142.06523	1.8
143.01836	1.9
145.01662	2.4
145.02815	46.3
145.06499	2.0
146.99608	3.0
147.03061	4.4
147.04288	2.0
149.01169	3.8
149.02243	4.4
149.03003	5.7
149.04874	1.2
149.05957	35.8
149.07101	9.0
149.09618	2.0
149.13203	2.0
149.94571	2.0
150.05389	1.9
150.06461	1.8
150.10210	1.8
153.00677	21.5
153.96660	1.7
154.03494	9.9
154.94148	3.8
155.01872	4.7
158.01265	7.8
158.99608	1.6
159.04382	6.1
159.05504	2.6
159.06647	1.8
159.07869	2.2
159.11639	2.4
160.03952	2.2
160.06332	3.5
160.07562	93.4
161.01218	2.3
162.03091	5.4
163.02661	2.4
163.04034	2.2
172.01569	1.9
172.04501	2.4
172.95226	8.1
173.01212	3.8
173.02936	3.9
177.00650	4.3
177.02037	1.6
177.05428	37.6
177.06657	10.9
177.08739	7.4
177.11429	2.7
177.12735	4.2
177.16383	7.7
178.05005	5.5
178.08556	1.6
179.03604	1.4
186.05626	1.6
188.02434	1.6
190.96309	6.4
195.01654	1.6
195.04704	1.4
199.04713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71216	1.2
51.02373	1.5
52.60305	1.3
53.03927	5.8
55.01873	6.6
55.05494	5.7
55.88073	1.2
56.96564	45.0
57.03412	5.1
57.97364	1.3
59.04972	1.5
59.06108	2.8
61.02899	2.8
65.03920	4.0
67.05484	3.8
68.05001	1.6
69.03429	7.9
69.07056	8.2
70.03736	4.2
70.04141	2.3
70.06571	2.3
71.04983	1.7
71.95248	3.6
73.02907	5.5
73.06555	1.4
77.00895	1.1
77.03905	1.8
78.04708	2.7
79.05485	11.6
81.03407	11.4
81.04512	1.4
81.07044	7.2
83.04990	1.5
83.08586	2.2
84.96058	1.4
85.02891	6.6
86.03214	1.4
87.05561	4.6
87.81270	1.3
88.78211	1.2
89.03909	28.9
91.05474	15.9
93.07032	14.5
94.06547	2.1
95.04959	8.8
95.06075	2.0
95.08577	5.2
97.02883	9.4
98.97567	86.2
98.98449	20.9
99.04395	2.5
100.99004	1.8
101.00831	1.2
103.02470	1.4
103.05454	16.6
104.05000	2.5
104.94836	1.3
105.04482	1.7
105.07037	6.9
106.04142	2.5
107.04954	18.8
107.08592	13.6
109.02872	56.1
109.07600	1.4
109.10152	3.2
110.01271	1.7
110.97562	2.7
112.99112	2.1
113.00832	4.8
115.05440	8.0
116.06178	1.4
116.10709	4.7
116.98611	100.0
117.02084	2.5
117.03373	40.4
117.05760	3.4
117.07008	2.3
117.98927	2.0
118.96764	2.7
119.01878	8.2
119.04881	2.1
119.08559	3.7
120.02029	1.9
121.01594	3.2
121.02860	5.9
121.05113	1.6
121.06487	14.7
121.07474	2.2
121.10120	15.7
122.07127	1.7
123.04408	11.6
127.03938	2.3
128.02303	5.3
128.98590	4.4
129.51775	1.5
131.00179	4.1
131.01897	33.6
131.03510	1.4
131.03976	2.0
131.04907	15.4
131.05980	3.2
131.08559	5.9
132.04417	6.5
132.08081	9.0
133.06522	2.0
134.03683	8.5
134.99651	95.9
135.04407	8.1
135.05388	1.8
135.06538	1.7
135.08083	2.8
135.11661	3.4
136.06078	1.6
136.07590	1.7
137.02905	4.2
137.05934	2.9
137.08362	1.3
140.00206	4.6
142.06523	1.8
143.01836	1.9
145.01662	2.4
145.02815	46.3
145.06499	2.0
146.99608	3.0
147.03061	4.4
147.04288	2.0
149.01169	3.8
149.02243	4.4
149.03003	5.7
149.04874	1.2
149.05957	35.8
149.07101	9.0
149.09618	2.0
149.13203	2.0
149.94571	2.0
150.05389	1.9
150.06461	1.8
150.10210	1.8
153.00677	21.5
153.96660	1.7
154.03494	9.9
154.94148	3.8
155.01872	4.7
158.01265	7.8
158.99608	1.6
159.04382	6.1
159.05504	2.6
159.06647	1.8
159.07869	2.2
159.11639	2.4
160.03952	2.2
160.06332	3.5
160.07562	93.4
161.01218	2.3
162.03091	5.4
163.02661	2.4
163.04034	2.2
172.01569	1.9
172.04501	2.4
172.95226	8.1
173.01212	3.8
173.02936	3.9
177.00650	4.3
177.02037	1.6
177.05428	37.6
177.06657	10.9
177.08739	7.4
177.11429	2.7
177.12735	4.2
177.16383	7.7
178.05005	5.5
178.08556	1.6
179.03604	1.4
186.05626	1.6
188.02434	1.6
190.96309	6.4
195.01654	1.6
195.04704	1.4
199.04713	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	176.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45699	0.3
69.51276	2.6
73.34160	0.3
74.33351	0.3
78.04704	0.9
79.05494	0.4
81.07018	0.5
81.41518	0.3
85.19053	0.3
89.03915	6.3
91.05479	2.3
92.05822	2.0
95.04951	0.5
98.21166	1.3
98.98481	0.8
102.04056	0.4
102.04680	11.3
103.05470	1.4
105.03390	1.6
105.07024	0.6
106.07355	0.8
107.04948	1.6
109.02872	0.4
117.03377	8.9
118.64211	0.3
119.08596	0.8
119.92146	0.3
120.05758	0.7
120.08907	0.8
121.02859	4.8
121.06509	0.6
122.39911	0.3
129.06595	1.4
130.04147	7.4
130.07341	6.6
131.04933	4.4
132.05286	0.7
132.08896	1.3
133.02863	4.7
133.10173	0.5
134.03145	8.7
134.10466	1.1
135.04375	1.2
145.02849	11.4
146.06906	0.4
147.04407	20.3
148.05183	1.7
148.08394	0.7
149.05957	4.9
158.03621	1.4
158.06818	1.3
160.57561	0.4
161.09584	1.2
162.03110	0.4
163.03957	0.4
175.03891	0.4
176.04689	100.0
176.15169	1.5
177.05446	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	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14774	0.6
70.02372	1.4
70.02784	1.8
70.06590	1.9
71.06918	0.9
74.21461	0.5
79.98045	0.6
98.21568	0.8
124.16944	0.7
130.09819	0.7
132.02113	100.0
133.02437	2.0
150.03204	2.1
154.03543	0.8
159.07611	0.9
175.99570	1.3
176.01100	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	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.7
56.05012	0.7
56.96567	5.6
57.03438	0.7
57.93570	0.9
58.99866	0.9
59.06114	1.7
60.04512	0.6
67.05479	1.0
69.63400	3.2
69.63809	1.3
71.95228	1.2
75.94574	0.7
77.00895	1.4
79.05479	0.7
81.03432	0.7
82.03733	0.6
89.03915	1.3
91.05474	1.2
93.07027	0.9
98.97583	23.2
98.98446	2.5
100.02459	2.8
101.00896	3.3
102.00938	1.0
103.05453	1.9
104.02533	1.7
105.07023	0.8
107.04972	1.0
107.08609	0.9
109.02865	3.9
111.05515	0.7
113.00863	1.5
116.01942	14.8
116.97293	6.9
116.98613	30.9
116.99453	1.5
117.03351	2.0
118.03512	8.9
119.01917	23.9
119.03658	0.9
120.02019	4.0
120.03237	0.6
120.08092	0.8
121.01667	6.5
121.06387	0.8
122.03660	0.8
130.03542	0.9
131.01906	12.6
131.04967	0.6
131.99545	1.6
132.02199	0.7
133.03441	1.2
133.10046	0.8
134.02977	100.0
134.04727	3.7
134.99652	30.7
135.03235	4.0
136.04559	2.9
137.02954	13.5
137.03960	0.5
138.03041	2.5
139.02690	3.7
140.00174	1.0
142.03476	2.2
145.02821	2.2
146.03613	1.0
147.57121	0.6
148.04721	1.2
148.96106	0.9
149.02948	2.0
149.06032	1.5
151.04469	0.8
152.02170	1.6
152.04010	22.4
152.05891	2.7
152.96899	2.8
153.00690	8.3
153.04114	2.7
153.56219	0.7
154.03477	5.4
157.04582	5.2
158.01288	3.0
158.02951	7.0
158.04709	1.6
160.04581	1.4
161.04637	0.8
164.55460	0.7
171.01389	24.4
171.04977	3.0
171.06271	0.8
172.01491	1.1
172.04509	1.8
175.05721	0.9
175.98593	3.5
176.02332	1.6
176.04088	24.5
176.05861	9.6
176.07068	1.2
176.11830	0.8
176.14221	1.0
177.00951	1.9
177.04152	2.3
177.05463	2.1
189.02419	10.6
194.03131	2.0
194.05093	8.7
194.06895	3.0
195.04926	0.7
199.05673	1.8
199.07477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.67356	0.6
55.01881	0.7
55.05509	8.4
57.07081	0.7
65.03941	1.8
65.94670	0.7
67.05505	5.5
69.03416	1.2
69.07067	12.3
69.36315	6.1
70.06575	0.9
77.03925	0.8
79.01422	0.7
79.05488	7.6
81.07052	36.4
82.48798	0.6
83.08617	2.9
89.03925	1.3
91.05479	35.9
92.05814	0.7
93.07038	11.7
95.04965	1.2
95.08601	26.8
96.08906	0.7
98.98463	15.0
103.05453	2.2
105.03392	0.9
105.07027	54.9
106.07372	1.5
107.08588	14.2
109.10182	0.7
115.05420	2.4
117.07006	6.6
119.04938	9.2
119.08575	98.8
120.08932	2.8
121.10137	2.4
125.37074	0.6
128.06171	0.8
129.07007	3.2
130.06541	1.0
131.04916	0.8
131.08549	8.9
132.09332	2.1
132.95778	1.3
133.02847	1.1
133.10123	100.0
134.10478	2.8
142.07777	3.4
145.10132	6.0
146.10912	4.0
147.04419	9.5
147.08026	2.3
147.11688	18.9
148.11980	0.8
157.04019	0.8
157.06412	0.8
157.10109	3.1
160.05185	2.3
160.12469	2.5
173.13272	1.8
175.03874	6.2
175.07507	6.6
175.11226	11.1
175.14813	90.6
176.04613	1.8
176.06969	0.8
176.15208	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03947	0.9
53.48753	0.6
55.01858	0.9
55.05509	6.2
57.07077	0.6
65.03935	3.0
67.05509	4.2
69.07065	13.5
70.00739	2.9
70.06580	0.8
77.03917	1.1
79.01866	0.6
79.05486	6.6
81.07054	18.8
83.08622	2.4
86.09049	0.5
89.03918	1.5
91.05476	39.5
92.05802	1.3
93.07038	7.6
95.04977	1.4
95.08600	12.3
97.02910	0.7
98.98463	22.7
102.04681	2.5
103.05467	2.3
104.06227	0.8
105.03418	1.3
105.07026	57.7
106.07359	1.4
107.08588	10.1
109.10146	0.8
115.05431	2.2
116.06293	0.7
117.07025	5.5
118.07795	0.8
119.04941	11.2
119.08576	86.8
119.61339	0.6
120.08849	2.6
121.02854	1.2
121.06512	1.4
121.10147	2.5
122.03631	0.5
128.06230	0.7
129.03354	1.0
129.07060	2.6
130.04192	1.4
131.04889	1.2
131.08560	10.2
132.02078	0.6
132.05714	0.8
132.09315	1.0
133.02853	1.7
133.06474	1.9
133.10124	76.3
134.10504	2.6
142.07762	3.0
145.06503	1.1
145.10110	6.6
146.07196	1.0
146.10858	2.2
147.04402	16.4
147.08023	3.8
147.10526	1.1
147.11679	19.4
147.12817	1.3
148.11931	1.1
157.04041	1.0
157.06468	0.7
157.10103	4.6
159.11703	0.8
160.05199	2.7
160.08823	2.0
160.12492	3.7
161.09572	0.7
173.13283	2.1
175.03899	10.0
175.07542	9.8
175.11212	18.9
175.14818	100.0
176.04683	15.9
176.07021	0.9
176.11465	0.9
176.15152	3.4
176.71918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.04368	0.3
53.00307	0.8
55.01881	0.4
55.05505	1.5
65.03941	0.9
67.05505	0.9
69.07065	2.7
70.06600	0.6
70.07402	1.0
70.07812	0.8
78.04718	0.4
79.05499	2.2
81.07059	2.4
83.04996	0.4
83.08617	0.4
91.04910	0.8
91.05474	13.4
93.07037	2.2
95.04945	0.8
95.08604	1.9
97.68954	0.3
98.97789	0.5
98.98462	16.9
103.05473	1.1
105.07030	21.7
106.07355	0.7
107.05002	0.4
107.08597	1.8
115.03903	0.4
115.05463	0.9
116.99475	0.6
117.07038	2.3
118.07819	0.4
119.04958	2.5
119.08577	100.0
120.08872	2.7
121.10152	0.7
128.06250	0.4
129.07005	1.1
130.06534	0.4
131.04927	0.5
131.08566	3.3
133.02791	0.4
133.10126	96.5
134.10420	2.9
135.13231	0.5
142.07741	1.0
145.10098	1.0
147.04407	7.5
147.08049	0.6
147.11662	4.3
148.04779	0.4
151.16258	0.3
157.10114	1.0
159.11720	0.9
160.12442	0.5
165.40987	0.3
173.13225	0.8
175.03877	2.4
175.07443	1.6
175.11256	3.4
175.14816	32.1
176.07039	1.4
176.11719	0.5
176.15218	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02913	0.7
51.11003	0.7
51.26490	0.7
51.42675	0.8
53.03940	0.8
55.05506	7.3
61.20019	0.9
65.03934	2.0
67.05503	7.3
69.03394	0.9
69.07068	18.2
69.30951	7.5
70.06578	1.4
71.04996	0.7
76.33426	0.8
77.03929	0.8
79.05502	7.2
81.07053	18.8
83.08611	2.2
85.02903	1.1
91.05482	38.1
92.05812	0.8
93.07035	11.1
95.04958	0.9
95.08608	18.5
97.02904	1.9
98.20819	1.8
98.98467	43.6
103.05457	1.9
105.07033	66.0
106.07346	1.8
107.05014	1.2
107.08590	12.7
109.10162	2.0
115.05441	1.4
116.99517	2.0
117.07037	7.0
119.04944	3.1
119.08582	94.0
120.08113	1.0
120.08866	2.0
121.06573	0.7
121.10135	2.4
129.07010	2.4
131.08568	7.6
133.02782	1.3
133.06470	1.3
133.10129	69.3
134.10468	1.8
139.03944	1.0
142.07790	3.7
145.10095	3.6
146.10855	2.4
147.04419	10.6
147.08070	2.8
147.11690	19.8
157.10118	3.6
160.08797	0.9
160.12457	3.1
173.13281	1.5
175.03905	5.3
175.07597	3.1
175.11269	10.4
175.14825	100.0
176.07092	2.6
176.15166	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	175.119
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
53.03956	0.9
55.01877	2.8
55.05509	0.5
56.96565	3.9
57.03437	5.3
58.99865	0.9
60.05650	34.6
61.02930	2.9
61.48885	0.4
62.95480	0.3
63.03355	0.4
67.05505	1.1
68.05032	0.5
69.03428	4.5
69.07066	0.6
70.06593	100.0
70.86514	1.1
70.99868	0.5
71.01341	0.5
71.04993	4.0
71.06928	1.5
71.95256	0.5
72.08159	4.6
73.02917	4.3
77.00912	0.7
80.99039	0.4
81.03414	1.4
83.01332	0.8
83.04982	1.1
84.02416	0.5
84.08150	1.2
85.01417	1.1
85.02914	5.2
87.04460	0.6
88.02708	0.4
88.07648	1.1
88.52728	0.4
91.05484	2.5
93.01900	0.6
94.02680	0.7
95.03443	0.5
95.04992	1.1
96.02400	0.5
97.02888	7.0
97.07645	0.7
98.06060	0.5
98.97592	1.9
98.98472	9.3
99.04450	1.1
100.02634	0.8
101.00877	5.5
101.03478	0.5
102.00971	0.6
102.02390	1.3
103.00665	0.7
103.02460	4.8
103.03133	0.9
105.07024	1.1
109.02907	0.8
110.02155	1.0
111.02194	0.4
111.02933	1.6
111.04447	0.8
112.02753	0.5
112.07615	1.0
112.08730	3.7
113.00840	0.7
113.02360	0.6
113.07166	0.5
114.10304	0.5
115.00653	0.5
115.02428	1.9
115.08685	1.2
116.07091	26.2
116.98618	1.4
118.03560	0.6
119.01919	20.2
119.04955	0.8
119.08600	1.7
120.02039	2.1
120.03434	1.5
121.01667	2.8
121.03514	2.5
123.02958	0.8
127.02417	0.7
127.03947	1.2
129.01855	0.7
129.03987	0.9
130.08757	0.5
130.09756	12.1
131.01915	4.7
131.09895	0.4
132.01994	1.1
132.95828	0.5
133.01660	1.5
133.02551	0.8
133.03464	6.5
133.10162	1.4
134.03610	0.5
134.99667	0.6
135.03181	0.7
137.02954	6.4
138.03210	0.6
139.02705	0.6
139.03978	0.5
142.03491	0.6
143.01868	2.3
144.02052	0.6
144.99855	0.5
145.03426	3.1
146.03568	1.1
147.01390	1.0
147.03127	0.7
147.04367	2.6
147.11642	0.4
149.01204	0.5
149.02991	1.5
150.96884	0.5
150.99129	0.5
151.02745	0.4
151.04518	1.3
152.96881	0.5
155.01921	1.0
157.03470	1.2
157.10921	0.9
158.09256	5.9
159.05052	1.0
161.02983	3.4
162.03030	0.8
163.02791	1.2
163.04494	1.1
167.02000	0.6
171.01372	2.6
171.05055	3.1
172.99510	0.5
173.02934	2.2
174.03043	1.0
175.02605	1.4
175.04469	6.9
175.06139	0.7
175.07536	0.6
175.11928	17.4
175.14798	1.3
176.12247	0.4
179.04012	1.0
182.22197	0.4
185.02927	1.3
186.03181	1.2
187.02814	0.7
187.04547	0.9
189.02460	1.3
189.06052	0.6
193.05577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.64915	0.4
55.01871	3.2
55.05526	0.6
56.02197	0.4
56.05019	0.5
56.68876	0.4
56.96563	6.4
57.03434	7.5
58.03777	0.6
58.06602	1.0
58.99874	1.0
59.04992	0.7
60.05648	34.8
61.02922	3.7
67.05508	0.5
68.05041	0.7
69.03430	5.9
69.77355	2.0
70.06591	100.0
70.38119	0.4
70.98128	0.6
70.99859	0.9
71.01342	0.6
71.04998	4.2
71.06923	1.0
72.08164	4.3
73.02914	8.5
74.03261	1.0
77.00929	0.8
77.45229	0.4
81.03411	2.8
82.99807	0.5
83.01352	0.5
84.08147	3.7
85.01425	0.8
85.02899	6.9
87.04485	0.5
88.02718	0.5
88.07623	0.8
89.00854	0.5
90.94826	0.5
91.05468	1.1
93.01876	1.0
94.02628	0.5
97.02305	0.9
97.02891	7.5
98.03212	0.5
98.06058	1.0
98.20771	0.8
98.97582	5.0
98.98462	5.3
99.04450	1.5
101.00887	7.9
101.01524	0.8
102.00968	2.1
102.02407	1.3
102.52470	0.5
102.53134	0.6
103.00630	2.9
103.02432	3.4
103.03139	0.7
105.03000	0.4
105.07020	0.4
109.02894	1.6
110.02178	0.8
110.97576	0.9
111.02923	1.1
111.52995	1.1
111.53661	0.9
112.02811	1.1
112.03736	0.5
112.06959	0.4
112.07616	2.9
112.08723	3.8
113.00872	1.4
113.07126	1.9
114.00993	0.4
114.05533	0.5
114.09199	0.4
114.10269	0.6
115.00586	0.7
115.02432	2.0
115.03989	0.5
115.08755	0.9
116.07090	26.2
116.98633	2.8
117.02139	0.6
117.02903	0.5
119.01918	28.6
119.04910	0.5
120.01991	4.2
120.03455	1.6
121.01661	6.2
121.03452	2.0
123.02942	0.6
126.03437	0.6
127.02400	0.5
127.03929	2.2
128.02344	1.3
128.98627	1.2
129.03964	0.8
130.06548	2.1
130.08649	4.2
130.09766	13.8
131.00160	0.5
131.01895	4.9
131.02737	0.6
132.02065	6.2
132.53632	0.5
132.95824	1.6
132.97990	0.6
133.01648	4.6
133.03442	7.2
134.08188	0.6
134.99667	1.1
135.03209	1.2
137.02942	8.5
138.03123	0.9
139.02652	0.9
142.03510	0.8
143.01886	4.0
144.02104	1.3
144.99831	0.9
145.01660	2.7
145.03464	4.4
146.03557	1.4
146.06015	0.9
146.99660	1.1
147.01392	1.2
147.03197	2.0
147.04228	0.8
148.07584	0.9
149.01189	0.7
149.02921	0.8
150.96913	0.8
150.99081	0.7
151.02669	1.0
151.04553	2.2
155.01904	1.8
156.02016	1.3
156.03278	0.6
157.01682	1.8
157.03407	2.0
157.10866	0.8
158.03558	0.9
158.06046	1.5
158.09245	6.8
159.03236	1.3
159.05045	0.6
159.07681	1.4
161.02950	7.4
161.04216	0.8
162.03125	2.2
163.02704	3.5
163.04485	1.6
165.00790	0.6
165.04247	0.8
168.01930	0.7
168.99757	0.5
169.01659	1.0
169.03333	0.4
171.01378	1.7
171.05016	1.8
173.02907	3.5
174.03125	3.4
174.99240	1.1
175.02747	3.1
175.04517	7.6
175.06107	1.4
175.08655	1.3
175.11911	21.9
175.14400	0.9
176.01109	1.1
176.04651	1.1
176.07042	2.7
176.10335	1.4
176.11906	0.4
179.04062	1.4
181.05554	0.6
185.02951	3.0
186.02997	3.3
186.04434	1.1
187.01123	0.6
187.02736	2.7
187.04456	0.9
189.02487	0.9
189.04442	0.4
189.06059	0.8
193.00192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	Siccayne
Peak:m/z	Relative Intensity
51.02369	0.5
53.03954	1.1
55.05516	1.0
59.01815	0.3
61.59139	0.2
65.03939	1.3
67.05493	0.6
68.12773	0.3
69.06725	0.3
69.07061	1.4
69.84051	1.6
77.03919	1.5
79.05499	0.8
81.07052	3.1
89.03937	0.5
91.05476	24.4
92.05826	0.6
93.07046	1.1
95.04987	1.1
95.08589	2.2
98.98460	3.2
102.04675	3.5
103.05463	1.9
105.03392	7.9
105.04485	0.6
105.07026	5.5
107.08572	1.5
115.05454	1.9
116.06231	2.4
117.07019	2.7
119.04935	3.5
119.08572	9.9
121.02850	1.7
128.06215	9.7
129.07001	56.2
130.04131	1.6
130.07294	2.0
131.04922	4.6
131.08557	12.0
131.47646	0.3
132.08891	0.8
133.02844	100.0
133.10118	8.8
134.03172	3.3
135.04311	0.3
142.07790	0.4
144.05696	1.7
145.06487	3.2
145.10156	0.3
147.04402	9.0
147.08026	4.5
147.11702	1.7
155.06036	1.4
157.06483	11.4
157.07761	0.7
157.10033	0.3
158.03577	0.4
175.03954	1.4
175.07533	11.1
175.11140	1.1
175.14835	6.7
176.04680	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03954	2.0
55.01869	1.7
55.05505	6.7
57.03434	22.2
65.03930	4.6
67.05498	12.9
68.45478	0.7
69.03435	2.1
69.07066	7.5
70.06577	1.1
77.03920	1.3
78.02721	0.7
79.05067	1.1
79.05489	8.2
80.28316	0.7
81.07053	14.4
83.04995	0.8
83.08624	1.8
84.94091	1.0
89.03951	1.2
91.05478	46.9
92.05835	1.2
93.07034	9.9
95.04967	12.6
95.08611	11.2
97.02943	0.8
98.98462	21.5
103.05473	2.8
105.07028	58.4
106.07330	1.2
107.04961	6.7
107.08591	8.6
109.10163	1.1
115.05460	2.2
116.06228	1.3
116.99477	1.1
117.07012	9.5
119.04939	10.8
119.08580	100.0
120.08942	2.2
121.06499	5.3
121.10126	1.1
128.06224	2.7
129.06998	9.2
131.04912	4.3
131.08551	9.3
132.05708	2.8
132.09378	1.0
133.06491	24.8
133.10127	52.0
135.08052	1.8
141.07025	1.2
142.07777	10.9
143.06009	0.9
145.06477	10.3
145.10109	5.7
146.07265	32.2
146.10921	2.2
147.04405	14.6
147.08049	63.6
147.11688	24.0
148.08379	2.0
148.12033	1.2
157.03976	1.4
157.06477	0.8
157.07655	2.4
157.10117	9.6
158.10558	0.8
159.08119	1.0
160.08824	9.6
160.12477	2.2
173.13257	1.0
175.03896	5.6
175.07646	5.6
175.11183	96.1
175.14807	57.2
176.04742	4.0
176.06999	1.4
176.11519	2.4
176.15152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.00299	0.4
53.03931	0.8
55.01858	0.8
55.05501	1.7
57.03435	1.1
57.07073	20.1
58.06599	4.2
60.04527	3.0
61.65836	0.4
62.06090	17.6
63.02338	0.4
65.03944	6.7
67.05505	1.0
68.05022	0.9
69.03409	1.6
69.07050	1.8
71.08627	17.0
71.28448	0.4
71.50847	1.0
75.02383	0.5
76.03145	0.6
77.03901	1.5
79.05486	0.7
81.07056	2.3
83.04973	1.0
84.04511	2.9
84.05295	0.7
85.02889	1.5
89.03911	5.0
90.94845	0.5
91.05476	57.4
93.07046	0.7
95.04966	0.7
95.08595	1.5
96.04462	0.9
97.02882	5.6
98.98458	10.1
102.05527	0.7
103.05455	0.9
104.02623	0.5
105.03399	1.1
105.07038	7.6
107.08595	1.1
112.04727	0.5
114.05520	2.7
115.03966	0.6
115.05446	2.0
117.03358	0.8
117.07018	1.4
118.04168	0.8
119.04942	31.2
119.08574	12.3
119.64322	0.4
122.03606	1.3
128.05003	0.5
129.03336	1.5
129.04411	0.9
129.06963	1.4
131.04922	1.1
131.08566	2.4
132.02065	1.4
132.05695	1.0
132.08043	1.0
132.08907	2.1
132.95866	0.8
133.02875	0.7
133.10127	7.6
142.07799	1.0
144.08981	1.2
145.02814	1.5
145.06479	1.0
145.10034	1.0
146.03650	0.5
146.05992	1.6
146.07135	0.6
146.10468	1.4
147.04407	18.7
147.08018	1.4
147.11653	2.5
150.03094	2.0
150.96834	0.8
156.17470	15.2
157.03958	2.4
157.10117	1.2
159.07603	0.5
159.11263	1.4
160.05200	1.9
174.05475	1.1
174.07687	2.6
174.08893	0.6
174.13863	3.2
174.18529	100.0
175.03915	11.0
175.07494	5.5
175.11157	5.2
175.14815	7.7
175.18895	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03942	1.6
55.01874	0.8
55.05503	2.2
56.05030	2.2
56.51719	0.7
56.96563	1.2
57.03434	13.9
59.06120	0.8
60.04520	44.3
61.02913	1.9
65.03936	2.5
65.04755	0.7
67.05482	0.8
68.05016	5.6
69.03423	15.5
69.07055	3.0
70.06576	1.7
70.95270	1.7
70.95880	1.6
71.04985	0.7
72.04517	1.0
72.93800	1.7
79.05492	0.9
81.07040	3.4
84.04498	31.0
85.02896	14.8
86.06067	3.4
86.34739	0.7
87.04436	1.6
89.03917	1.8
90.94805	0.9
91.03923	1.2
91.05470	26.3
91.06031	1.6
93.07056	1.1
94.95812	0.8
95.04910	0.9
95.08596	2.1
96.03912	0.5
96.04481	15.1
96.05058	1.4
97.02883	100.0
98.03199	2.0
98.06051	1.2
98.98456	14.0
100.04019	1.1
102.05543	8.1
103.05434	1.2
105.03388	2.5
105.07023	7.7
107.08571	2.1
110.06016	1.0
111.04412	1.5
113.55326	0.7
114.05518	40.7
115.03928	9.2
115.05968	0.7
117.07022	2.3
118.06557	5.0
118.07230	0.9
119.04939	11.3
119.08571	13.0
126.06580	0.8
128.04947	1.4
129.06998	1.8
130.06535	4.3
130.59433	0.8
131.08562	2.4
132.05725	0.8
132.06506	3.5
132.08054	1.5
132.08955	0.9
132.95818	3.0
133.10109	14.6
138.05458	2.0
144.08011	1.0
145.06465	1.7
145.10066	1.1
145.89755	0.7
146.06010	4.1
146.08078	0.9
147.04408	9.5
147.11710	3.0
150.96881	6.6
155.97372	1.1
156.06470	1.3
156.07584	1.2
157.07549	3.6
158.05992	1.6
159.07959	1.5
173.98477	1.7
174.05296	2.6
174.07607	74.0
174.12732	2.7
175.03860	4.5
175.07706	4.3
175.11090	1.7
175.14790	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.00290	0.4
53.03944	1.0
55.01865	0.8
55.05484	0.4
56.05030	2.6
57.03435	9.6
60.04521	43.4
61.02916	1.2
65.03931	1.7
68.05025	5.7
69.03423	16.2
70.32672	1.6
72.04503	0.7
77.03926	0.4
78.86725	0.4
81.07043	0.7
82.98756	0.4
84.04499	34.0
85.02901	12.5
85.03318	0.3
85.04839	0.5
86.06065	3.2
87.04497	0.5
89.03912	1.3
91.03937	0.8
91.05473	13.3
95.04892	0.5
96.04485	15.1
97.02885	100.0
98.03220	1.7
98.06100	0.5
98.98458	4.3
100.03999	0.7
102.05536	8.7
105.07021	1.7
111.04404	0.5
114.05522	40.1
115.03930	6.5
115.05884	0.4
118.04131	0.7
119.04935	6.5
119.08575	3.3
128.07051	0.5
131.08510	1.0
132.06548	3.9
132.08922	0.8
133.02859	0.4
133.10114	2.7
133.84929	0.4
138.05524	2.4
141.02161	0.4
142.07852	0.5
144.06552	0.6
144.08948	0.4
146.05980	0.9
147.04405	4.7
147.08034	0.6
147.11646	0.7
156.06500	2.4
157.03937	0.6
159.08032	1.0
160.05219	0.7
160.08905	0.5
174.07608	79.8
174.13596	1.5
175.03871	2.3
175.07709	3.0
175.11189	1.6
175.14816	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03942	1.1
53.79565	0.4
54.07398	0.4
56.05036	3.6
57.03435	10.6
57.07074	1.7
60.04527	43.2
61.02921	1.5
61.04855	0.5
62.06085	1.4
65.03941	1.2
68.05025	5.5
69.03430	18.0
69.07088	0.5
70.03754	0.6
70.63136	1.1
70.63508	0.7
71.08636	0.8
72.04507	1.1
74.06100	0.6
79.05450	0.6
81.07056	1.3
84.04507	37.4
85.02907	15.9
85.04850	0.7
86.03257	0.5
86.06064	3.4
87.04469	0.7
89.03899	1.2
91.03963	1.0
91.05482	13.4
93.07053	0.5
96.04494	14.1
97.02893	100.0
98.03226	1.5
98.98462	6.4
100.03963	1.2
102.05541	8.0
105.07043	4.0
114.05534	37.1
115.03926	8.3
115.05401	0.7
118.61407	0.5
119.04942	5.8
119.08572	5.1
126.05518	1.5
129.07022	0.9
131.08551	1.8
132.06558	4.2
132.08899	1.5
133.10135	3.6
138.05507	1.9
145.10126	0.6
146.06013	0.9
146.08133	0.5
146.10463	1.1
147.04402	4.7
147.11664	1.3
150.03200	0.5
156.06479	2.6
156.17519	1.1
157.10193	0.6
159.08067	0.9
159.11342	0.5
174.07625	74.2
174.12624	0.9
174.13655	1.6
174.18535	8.5
175.03960	3.1
175.07718	4.2
175.09206	0.5
175.09808	0.4
175.11136	2.2
175.14822	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	174.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
53.03935	2.6
54.02570	0.7
55.01874	22.1
55.05510	3.9
55.94611	2.2
56.05032	1.0
56.05836	0.9
56.96562	15.0
57.03438	56.3
58.03766	1.3
58.06577	0.8
58.99857	3.9
59.04999	1.8
60.04505	2.4
60.05372	1.0
60.05648	13.8
60.95852	0.8
61.02650	1.1
61.02929	14.1
67.05490	1.5
68.05024	2.0
68.98278	2.1
69.03432	29.1
69.07057	1.2
69.77043	1.5
69.77457	3.3
70.03764	0.7
70.06594	39.8
70.95850	2.5
70.99845	1.9
71.01345	2.9
71.05000	5.5
71.06119	1.5
72.08144	2.5
72.93776	2.4
73.02917	65.6
73.06548	0.9
73.95667	0.8
74.03248	2.1
75.01895	1.0
77.00890	4.8
80.02912	0.9
81.01900	2.3
81.03417	15.5
81.07043	0.8
82.02705	1.7
82.06558	2.7
82.99838	1.9
83.01350	0.8
83.04961	2.4
83.08623	1.1
83.97643	1.0
84.04494	1.7
84.08125	2.6
85.02907	36.7
86.03687	1.5
86.06047	3.1
86.99325	2.6
87.01893	2.9
87.04453	3.3
87.51962	1.0
88.02684	7.3
88.52764	1.2
89.00869	2.5
90.02435	1.5
90.94820	1.3
91.05471	2.6
93.01884	3.7
93.51926	1.7
94.02692	4.6
94.99854	1.1
95.01971	1.7
96.01483	0.7
96.02425	3.6
97.01414	1.6
97.02886	34.2
98.03233	0.8
98.06034	0.9
98.97591	7.8
98.98463	5.3
99.01897	1.4
99.04453	9.1
100.02661	7.4
101.00883	35.0
101.02346	1.0
101.03431	2.2
102.00937	5.5
102.02402	10.9
102.52466	1.5
102.53135	1.6
103.00621	2.3
103.02419	5.6
103.03123	1.5
103.03898	1.8
105.00362	2.9
105.02046	1.1
106.02666	4.8
107.03432	2.4
107.53512	0.8
108.02410	4.9
108.04264	1.0
109.02829	7.2
109.53268	1.4
110.02222	0.8
110.03168	1.3
110.51438	0.8
110.97577	1.6
111.02931	22.4
111.52949	1.5
111.53632	3.1
111.98454	1.5
112.02711	1.1
112.03749	1.0
112.07597	5.7
112.08717	2.3
113.00874	11.0
113.03456	1.0
113.95084	0.9
113.98648	1.5
114.01022	1.4
114.02406	5.3
114.05534	16.7
115.00605	1.4
115.02414	8.2
115.03180	4.6
115.03924	3.8
116.03944	1.3
116.07086	8.2
116.10685	1.2
116.98620	5.5
117.02907	3.3
117.03996	1.3
117.05708	1.1
118.01131	1.5
118.03579	1.3
118.06530	3.5
119.01923	100.0
120.01959	15.5
120.03436	4.1
120.04277	1.3
121.01658	7.3
121.03208	4.4
121.54762	1.1
122.03985	1.0
122.53728	1.4
123.01443	0.9
123.02911	7.2
124.02541	0.7
124.03655	1.8
126.03391	1.4
127.02417	5.1
127.03271	0.9
127.03914	9.6
128.02327	1.6
128.07080	6.2
128.10701	2.2
128.98579	2.5
129.02115	0.8
129.02907	5.9
129.03957	5.3
129.53000	1.1
129.99478	1.2
130.03671	2.3
130.08626	6.2
130.09721	4.2
131.01909	50.3
131.51917	1.3
131.96153	10.0
131.97163	1.2
131.99669	1.6
132.01991	11.7
132.03447	4.8
132.05090	1.8
132.95782	5.4
133.01692	5.4
133.03468	16.3
134.03542	3.0
134.99638	3.3
135.02980	4.5
135.03879	0.8
135.51294	0.7
136.03674	3.7
137.02951	19.2
138.03432	7.1
138.09082	0.8
138.54178	1.4
139.02412	3.6
139.04149	1.0
142.03510	9.7
143.01892	29.7
143.03561	1.2
143.54184	0.8
144.01921	5.1
144.03389	2.7
144.53412	0.9
145.01622	2.5
145.03453	37.4
146.03557	6.3
146.06007	15.4
146.08031	0.9
146.99614	2.6
147.01414	6.6
147.03075	0.9
147.05006	2.3
149.01161	1.4
149.02968	8.1
149.97240	5.0
150.00650	2.0
150.03160	3.1
150.06128	1.1
150.96899	7.4
150.99106	1.4
151.02551	1.0
151.04486	3.2
153.03908	1.1
154.03583	2.0
154.04768	1.9
155.01895	26.7
155.97372	1.2
156.02023	5.1
156.03232	1.7
156.10223	1.8
157.01588	1.4
157.03473	29.0
157.04778	1.5
158.03612	4.7
158.09271	2.4
158.99625	1.0
159.01430	1.2
159.03165	1.9
159.05003	1.5
160.04504	5.4
160.47133	0.8
161.02963	42.6
161.06635	1.1
162.03098	8.2
163.02721	4.9
163.04477	10.0
164.04678	1.4
167.01889	13.2
168.02007	1.9
168.05045	2.6
168.99960	0.9
169.03493	6.9
169.04843	1.3
171.01395	1.4
171.05003	4.6
173.02966	52.1
173.98511	2.2
174.03091	10.7
174.04285	1.8
174.05457	5.8
174.07617	6.5
174.08981	1.2
174.11203	2.3
174.12509	4.3
174.14897	3.3
174.99057	1.3
175.02736	2.9
175.04510	14.6
175.06073	1.3
175.11922	7.8
177.00745	1.5
177.02458	1.6
178.05595	1.4
179.01933	2.7
179.03957	2.1
181.03506	3.3
181.05545	1.3
183.05054	1.8
184.04642	2.9
185.02963	57.0
186.02977	8.8
186.04422	3.5
187.02737	2.4
187.04506	7.7
188.04637	1.4
189.02464	1.1
191.02272	0.9
191.04001	4.0
192.04103	0.9
192.07275	0.9
193.00185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05505	13.1
57.03420	1.1
57.07034	0.5
59.04995	3.1
60.04513	0.9
67.05507	2.9
68.05015	0.8
69.03406	1.3
69.07039	0.5
70.39255	0.6
71.04994	0.8
71.47896	0.8
72.93768	1.0
73.02494	0.5
75.66629	0.5
76.02210	1.1
79.05483	1.7
81.03403	0.9
81.07044	3.1
83.04494	1.0
83.04972	13.1
84.04469	2.2
85.02884	1.1
87.04433	1.5
89.02387	1.0
90.94804	1.2
91.05480	9.9
93.07005	1.7
95.04939	0.6
95.08593	0.8
96.04483	0.6
97.02893	2.5
99.04402	0.6
101.06011	10.6
102.17371	0.5
103.03279	1.1
103.05511	0.9
105.07021	8.8
106.47065	0.5
108.95893	0.6
111.03722	1.0
111.04432	13.6
113.05981	1.5
114.05531	1.4
115.03907	0.6
115.05436	4.7
116.06188	1.9
117.07009	8.4
119.08568	14.2
127.07553	1.9
128.06203	1.7
129.05490	6.2
129.06982	8.1
130.07788	3.2
131.08554	54.5
132.08971	0.9
133.10150	3.3
142.07764	0.8
143.08543	22.6
144.09338	9.0
145.06465	3.6
145.10104	29.9
146.10457	1.2
150.96851	1.3
155.05827	0.7
155.07028	9.5
155.08321	0.9
156.09296	1.3
157.10114	1.3
158.07330	3.3
158.10901	36.6
159.11324	1.2
171.11674	2.4
173.02335	0.9
173.05984	2.7
173.08170	15.0
173.09676	4.9
173.13243	100.0
174.05443	1.0
174.07607	1.8
174.13766	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03952	1.4
55.01871	0.9
55.05510	25.1
57.03432	1.7
57.07065	1.2
59.05001	5.1
59.51895	0.5
60.04507	2.4
67.05501	4.4
69.02846	0.5
69.03420	1.9
69.07070	3.0
71.03929	1.2
71.04999	1.8
72.93787	3.5
73.02904	1.0
73.06580	0.5
76.02224	1.5
77.03954	0.6
79.05502	2.9
81.03410	1.8
81.07050	8.2
83.04977	21.9
84.04504	2.3
85.02899	2.1
85.06532	1.5
86.06079	0.6
87.04472	2.6
88.59206	0.4
89.02396	2.0
90.94820	1.6
91.05471	13.6
92.05755	0.6
93.01790	0.4
93.07037	1.7
95.04960	1.0
95.08596	6.7
96.04465	0.8
97.02884	5.0
97.10173	0.6
99.04434	1.3
99.08065	1.1
100.07625	0.5
101.06013	16.7
103.03278	3.3
103.05455	1.2
105.03386	0.6
105.06335	0.7
105.07021	13.4
107.08590	0.6
108.95885	1.1
109.02904	0.5
109.10133	0.7
110.99600	0.4
111.04438	21.3
112.04769	0.6
113.02372	0.9
113.05988	2.8
114.05526	2.2
115.05445	4.3
116.06223	1.9
117.07005	10.7
118.06554	1.1
119.08571	15.6
127.07551	3.7
128.06226	2.0
128.07043	0.5
129.05484	13.7
129.06973	10.4
130.07777	4.3
131.08560	71.4
132.08900	2.1
133.10100	2.2
137.05974	0.8
137.13240	2.1
142.07773	1.1
143.08553	20.4
144.05644	0.6
144.09360	7.4
145.06508	4.5
145.10115	37.5
146.05994	1.8
146.10449	0.9
147.06494	0.8
149.97188	1.1
150.96875	2.1
154.99088	0.6
155.04939	0.8
155.07047	17.9
155.08492	1.9
156.09334	1.4
157.10072	1.2
158.06139	0.9
158.07278	4.5
158.10907	28.8
159.11267	1.1
167.97154	1.0
171.11693	2.8
173.02327	1.2
173.04616	0.9
173.06032	4.1
173.08203	23.3
173.09682	7.5
173.13251	100.0
174.05431	1.1
174.07626	4.7
174.08957	0.8
174.13568	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	172.988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93835	1.4
55.05510	25.7
55.93498	0.9
56.05018	2.0
56.96307	0.7
56.96562	9.8
57.03435	1.1
57.07061	1.0
58.99862	1.5
59.04992	3.7
59.06116	1.1
60.04519	0.8
65.03916	0.9
67.05484	2.6
69.03425	1.7
69.07062	1.0
69.84775	3.1
69.95815	1.1
69.96172	13.5
70.06585	0.9
70.95845	1.6
71.04970	1.7
71.06095	0.9
71.94099	5.8
72.04492	1.6
72.93789	16.1
73.02908	1.0
73.06552	20.5
76.02198	1.7
77.00882	1.9
81.03426	0.8
81.07045	0.8
82.99829	1.2
83.04497	1.2
83.04978	23.1
85.02896	0.7
85.53758	0.7
86.00980	1.1
87.04465	2.0
87.97208	1.3
88.96886	0.9
89.02381	1.7
89.95127	1.3
90.94823	15.3
91.05472	1.3
95.01963	0.9
95.06086	0.9
95.08582	0.9
98.97592	3.3
99.04485	1.3
100.02483	4.1
101.00868	9.6
101.02549	1.0
101.06018	16.0
102.02210	1.9
103.00614	0.9
103.02440	1.1
103.03280	4.0
105.07045	1.0
108.95872	6.2
110.98774	1.8
111.04439	21.8
111.98463	1.6
113.00847	1.8
113.05988	2.7
113.07138	0.9
113.95088	1.5
113.96388	2.1
113.98652	1.3
114.04021	1.0
116.01932	1.5
116.98601	4.7
117.06990	1.2
118.03511	3.6
119.01916	82.6
119.08587	1.6
120.01997	2.9
120.03292	1.2
121.01659	2.6
121.03464	1.1
124.02548	0.9
124.06328	0.9
127.07544	3.5
128.01907	0.8
129.03993	1.5
129.05475	12.9
130.03526	1.0
130.97722	1.3
131.01920	11.5
131.02888	1.3
131.08575	4.0
131.09380	0.8
131.96140	37.3
131.97357	2.8
131.99684	3.3
132.01433	2.9
132.05057	11.9
132.95827	3.0
133.03447	3.0
134.02983	10.4
134.99654	4.9
135.05032	1.2
136.04568	2.1
137.02954	42.0
137.05927	1.0
138.03082	2.7
138.04179	1.0
138.52478	1.5
139.02614	1.2
142.03493	6.2
143.01877	1.7
143.08571	1.3
145.03508	3.6
145.06476	1.3
145.10109	2.0
147.03784	1.6
147.05017	2.0
148.98801	1.6
149.01176	2.2
149.02962	4.7
149.06644	1.5
149.60591	3.3
149.96169	4.6
149.97195	100.0
150.00694	7.0
150.02454	14.2
150.03525	0.9
150.06133	9.2
150.10417	1.3
150.51611	0.8
150.96820	8.0
151.04524	1.1
152.04037	1.9
154.03343	0.7
154.97736	10.6
155.01888	1.3
155.02953	0.9
155.07025	17.5
155.97429	1.6
156.05014	1.5
158.03059	0.9
158.04214	1.7
158.10858	2.5
159.03787	1.5
159.05020	10.8
160.04489	2.3
161.02956	6.7
161.04283	1.0
161.11464	0.9
163.04552	2.0
167.96936	5.1
167.98328	13.8
168.01947	0.7
168.03598	5.9
172.98811	21.5
173.02948	5.5
173.04161	5.5
173.06575	15.9
173.08192	27.4
173.13185	5.5
173.98468	1.5
174.06107	15.7
176.05286	1.2
177.01015	1.2
177.06088	6.4
178.01120	0.9
190.99828	1.3
191.03897	1.8
191.05548	1.3
191.07646	21.4
192.05388	0.7
192.07086	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	171.1379
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00299	1.5
53.03946	2.8
55.01873	13.4
55.05511	29.1
56.30902	1.3
56.96550	1.9
57.03433	61.6
57.04536	1.5
57.07076	23.5
58.03748	1.0
59.04992	3.0
59.06104	1.8
65.03940	5.5
67.05501	51.1
67.88188	1.3
69.03419	5.2
69.07067	52.5
69.83393	5.2
71.04987	14.4
71.06135	1.3
72.04511	19.5
72.08154	1.7
72.93797	1.5
73.02900	2.1
73.06537	2.2
75.04486	3.3
79.05494	13.0
81.03407	10.0
81.07053	25.4
83.04977	13.5
83.08612	28.4
84.21363	1.3
85.02901	2.2
85.06545	6.3
85.16447	1.3
86.09663	1.4
87.04479	2.3
89.07155	16.5
91.05479	4.5
93.03426	1.2
93.07040	12.1
95.04945	2.8
95.08605	10.3
97.02872	2.4
97.06527	15.4
97.10131	1.9
99.04420	3.0
105.07022	1.7
107.01328	11.9
107.08582	28.3
109.02872	15.9
109.06537	1.7
109.10152	100.0
110.10477	1.7
111.00787	1.6
111.04431	20.7
111.08076	18.6
111.09202	3.3
113.09636	2.1
115.05438	4.1
121.12230	1.1
125.02377	8.1
125.04303	1.4
125.05983	1.2
125.09634	7.4
126.09064	1.3
127.03918	10.7
127.11195	17.7
127.91936	1.2
128.06236	7.4
129.06996	3.5
135.06288	2.0
135.08063	2.5
135.11627	5.9
138.92036	1.2
139.00232	1.9
139.03877	12.3
141.06967	3.8
142.07767	2.4
143.04935	2.0
143.06012	1.7
143.08546	16.0
153.01810	12.2
153.07375	4.2
153.09105	11.6
153.11082	1.8
153.12732	8.3
156.09349	15.3
157.01320	3.5
165.97844	1.4
171.03044	6.0
171.04337	2.5
171.05522	2.5
171.06789	1.5
171.08069	2.8
171.10106	5.5
171.11694	12.7
171.13618	1.4
171.14963	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	171.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12918	4.8
53.03941	5.8
55.01856	8.7
55.05505	24.3
57.03429	4.9
57.07076	5.8
59.05029	5.8
65.03941	23.6
67.05494	8.1
68.99793	10.1
69.07071	28.3
69.63068	10.5
69.63388	38.1
71.04991	22.8
71.52203	5.5
72.04517	46.7
73.06555	7.0
79.05499	15.8
79.67230	5.4
81.03419	12.9
81.07056	43.1
83.04975	17.7
83.08622	16.2
86.09071	4.8
89.07158	29.7
91.05471	5.6
93.03419	9.0
93.07056	29.7
95.08610	14.2
97.06519	15.3
107.01312	8.1
107.08604	31.8
109.02883	11.0
109.10130	7.9
111.04452	90.5
111.08054	6.3
115.05479	7.1
127.03958	9.6
128.06232	44.7
129.07001	16.8
135.11707	20.3
139.03906	68.7
141.07002	18.9
142.07780	10.1
143.08545	47.9
144.08078	15.7
153.01831	8.2
153.05551	5.7
153.07208	4.9
153.12781	11.8
156.09326	100.0
171.02997	8.9
171.04367	8.9
171.06546	12.1
171.08067	15.4
171.11667	65.2
171.14973	24.1
172.07533	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	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03941	0.9
55.01876	3.0
55.05511	3.8
56.96555	0.8
65.03940	30.6
66.04267	0.6
67.05501	1.8
68.99790	9.4
69.03426	1.9
70.63836	0.8
70.64225	0.7
71.04983	0.6
72.04518	0.8
79.01857	0.8
81.03417	4.7
83.01355	0.5
83.04977	12.7
83.08617	0.6
89.07143	0.9
93.03402	11.0
95.04982	0.5
96.02096	1.5
97.02864	1.9
109.02891	1.3
110.03643	0.4
111.04439	99.7
112.04780	2.1
121.02893	1.4
121.03992	7.7
125.02257	0.4
127.03887	0.9
128.04308	0.4
129.05435	0.4
139.03899	100.0
139.73946	0.3
140.04210	1.9
140.47362	0.3
147.96951	0.4
153.01787	0.5
153.07524	0.5
156.03860	0.7
165.97966	0.5
171.02866	1.4
171.06541	5.5
171.15073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.56944	0.2
53.03945	0.5
56.96569	0.7
57.03432	0.2
58.52906	0.2
70.81046	0.6
77.03962	0.2
79.05486	1.4
81.05796	0.9
83.04930	0.2
89.02684	0.2
93.98304	0.2
94.06581	0.4
95.04967	0.3
96.08107	1.5
98.31238	0.2
98.97592	0.6
102.00928	0.2
103.83909	0.2
106.06548	1.8
119.01892	0.3
120.01993	0.2
120.25801	0.2
123.06791	0.9
124.07585	6.3
124.08495	0.4
124.82997	0.2
128.98593	0.2
134.06004	73.0
135.06328	1.4
137.04681	0.5
139.00273	0.3
140.45438	0.2
147.01393	0.3
147.03206	0.2
150.05569	0.3
152.07054	100.0
153.07417	2.4
170.08115	14.2
171.08502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48589	0.2
53.84835	0.2
54.37424	0.2
55.01875	0.5
56.96558	1.5
57.03430	0.4
61.02935	0.4
65.03944	0.7
67.09661	0.2
69.03438	0.7
71.01907	0.5
71.02233	0.3
72.07838	0.3
73.02934	0.4
79.00675	0.2
79.05492	1.3
80.05003	0.4
81.03419	0.3
81.04546	0.7
81.05800	0.8
82.06590	0.4
85.02892	0.6
85.07678	0.4
86.99346	0.3
92.44137	0.3
93.05778	0.3
94.06597	0.4
95.04992	0.3
96.04491	0.3
96.06878	2.4
96.08127	1.8
97.02900	0.6
97.07657	0.3
98.97575	1.0
101.00876	1.1
103.02438	0.8
106.06545	1.6
110.06033	0.3
110.09696	0.3
110.97587	0.8
111.04445	0.7
115.02413	0.3
116.98586	0.6
118.03525	0.3
119.01892	2.7
120.02014	1.2
120.05347	0.2
121.01676	0.4
123.06808	0.8
124.07590	6.3
124.24197	0.2
125.07117	1.9
127.03974	0.3
128.98566	1.3
129.00299	0.6
129.04012	0.3
133.01648	0.7
133.03487	0.8
134.06009	72.2
135.06386	1.4
137.03001	0.5
139.00252	0.8
139.03905	0.8
145.03506	0.5
146.03676	0.8
146.99634	1.0
147.01395	2.8
147.03242	0.9
147.05014	0.7
152.07060	100.0
153.07422	2.5
157.01349	0.8
165.02411	0.5
165.06099	0.4
170.02979	1.1
170.08107	11.2
170.09259	0.6
171.07594	3.3
171.11282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03932	2.0
55.01856	4.0
55.05506	11.4
57.03421	5.1
57.07073	23.7
59.05000	7.1
65.03939	7.5
66.68002	1.1
67.05502	48.6
68.99762	1.9
69.03428	46.8
69.06734	1.8
69.07063	21.8
69.19698	14.4
71.04613	1.8
71.04990	35.1
71.08598	1.5
73.06558	2.1
74.32433	1.1
77.03899	1.7
79.05489	11.9
81.03403	9.8
81.07052	80.3
82.07350	1.5
83.04980	19.3
83.08637	5.8
84.08157	1.4
85.02901	7.9
85.06539	100.0
86.06879	1.9
91.05486	6.4
93.03405	2.8
93.07053	12.6
95.04967	20.0
95.08599	22.9
97.02879	1.9
97.06526	9.4
97.10176	1.8
98.03635	2.2
98.20688	2.5
99.04433	5.4
99.08071	3.6
105.07037	11.4
107.08586	14.4
109.02867	16.2
109.06520	25.7
109.10153	77.4
110.03687	2.4
110.07135	1.9
110.10473	2.5
111.00806	11.8
111.04444	10.2
111.08081	17.8
111.08857	1.5
111.09186	2.6
113.05247	1.6
113.06002	18.9
113.45408	1.4
116.98260	1.3
121.06493	1.7
121.10149	23.7
123.04462	3.1
123.08058	20.5
123.11704	86.2
124.07597	2.2
124.12043	2.6
125.06002	3.2
125.09591	4.2
126.03124	15.2
127.03958	1.9
127.07571	1.9
127.11167	2.0
129.24280	1.1
131.06985	1.2
133.10136	8.6
134.05989	3.5
134.49231	1.2
136.08884	1.2
139.00287	1.1
139.11177	22.5
141.05463	36.2
141.06610	1.7
151.03882	3.5
151.07567	2.9
151.11163	30.0
152.07063	8.3
154.02573	1.6
154.07784	2.9
157.04208	1.4
169.04976	16.5
169.06381	2.8
169.07541	2.4
169.08754	2.3
169.09941	2.8
169.12233	67.1
170.05910	2.0
170.09607	3.2
170.12563	3.9
189.65184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03929	0.5
55.01856	1.0
55.05498	2.8
57.03417	1.0
57.07070	5.4
59.04987	1.1
65.03915	1.3
67.05499	10.5
68.99792	0.7
69.03419	1.9
69.06686	0.6
69.07065	11.5
70.07375	0.5
71.04978	1.9
79.05490	3.9
81.03407	1.7
81.07051	50.8
81.70568	0.4
82.07372	1.5
83.04980	1.1
83.08643	0.6
85.06535	1.3
87.08149	0.5
91.05485	0.9
92.89554	0.4
93.07007	1.4
95.04981	3.9
95.08604	9.9
97.02869	1.2
97.06494	0.9
99.04443	0.9
99.08035	0.4
105.07002	1.6
107.08576	2.3
109.02882	3.7
109.06509	4.3
109.10152	10.3
109.10932	0.6
111.00795	2.2
111.04438	2.7
111.08073	1.0
111.47848	0.5
113.06001	1.5
113.37203	0.4
118.24953	0.4
121.10128	1.3
123.04457	3.3
123.08119	1.3
123.11696	100.0
124.12051	3.4
125.05941	0.6
126.03143	3.4
127.03744	0.5
127.07540	1.6
133.10130	1.4
134.06021	0.6
141.05446	9.4
141.06938	1.1
142.05838	0.4
151.03925	1.2
151.07526	0.5
151.11171	8.1
152.07112	0.8
154.07776	1.4
169.04980	4.9
169.08687	0.9
169.10065	2.4
169.12236	5.1
170.05989	0.6
170.09605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03935	0.8
54.16264	0.4
55.01869	1.2
55.05493	0.7
56.48293	0.5
57.03442	0.4
57.07077	0.9
64.95065	0.4
65.03924	1.3
67.01864	5.4
67.05502	7.1
67.66464	0.4
68.99783	3.0
69.03423	1.0
69.07038	1.2
69.45676	2.3
69.46104	1.5
71.04979	1.8
79.05473	1.5
81.03406	1.8
81.07056	8.1
83.04976	1.0
84.04453	0.5
85.02878	1.8
85.06535	0.8
91.05453	1.1
93.03391	0.7
93.07025	1.8
95.04970	8.9
95.08585	2.1
97.06496	0.6
99.04440	1.1
105.06992	0.9
107.08585	2.6
109.02870	3.7
109.06516	3.5
109.10153	3.8
111.00783	2.4
111.04446	1.8
111.08086	5.2
111.09211	0.6
113.06001	0.7
121.10145	0.7
123.04427	36.5
123.08044	2.3
123.11697	7.0
124.04753	0.9
125.09615	1.2
126.03133	3.4
127.03914	11.3
128.04156	0.5
133.10136	0.8
134.06030	0.7
141.05457	8.8
151.03902	54.9
151.11154	2.2
152.04250	1.4
152.07050	1.2
169.04955	100.0
169.12206	2.8
170.05322	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	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.66426	0.4
53.00295	0.6
53.03940	1.0
55.01863	0.9
55.05503	1.6
57.07063	1.0
59.05006	0.6
59.06115	1.1
62.58781	0.5
65.03934	5.4
67.01540	0.6
67.01867	6.4
67.05504	7.3
68.99784	4.8
69.03419	0.7
69.07052	1.9
71.04996	4.3
71.05801	1.3
72.08131	0.6
79.05480	2.2
79.59306	0.5
81.03416	5.2
81.07057	9.4
83.04974	1.8
84.08147	0.7
85.02894	1.7
85.07650	0.5
91.05487	0.8
93.03405	2.2
93.07029	1.9
95.04971	9.6
95.08587	1.4
97.06536	0.9
98.03679	1.3
99.04468	0.8
99.08069	0.7
105.06987	1.3
107.04873	0.6
107.08591	1.4
109.02880	8.7
109.06488	1.7
109.07614	0.6
109.10148	3.5
110.03655	0.6
111.00796	8.0
111.04443	5.9
111.08061	1.8
111.09177	2.9
120.28837	0.5
121.10149	0.7
123.04425	38.1
123.08057	1.0
123.11720	4.9
124.04825	0.7
124.07536	0.8
125.05971	3.1
126.03136	10.8
127.03927	11.9
134.05998	0.6
141.05461	31.2
142.05782	0.6
143.27940	0.5
151.03902	55.8
151.11165	1.2
152.04222	1.8
152.07004	1.1
154.02594	1.0
155.03389	1.7
169.04959	100.0
169.12248	1.3
169.14473	0.6
170.05388	3.8
170.08156	0.7
170.09534	0.5
182.07997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03924	2.8
54.50558	1.7
55.01875	4.3
55.05511	14.8
57.03429	5.3
57.07076	23.0
59.04998	9.4
65.03939	8.2
67.05508	51.6
68.99799	2.8
69.03426	32.9
69.07072	21.9
71.04986	29.9
71.46152	4.5
72.38128	1.9
73.06555	2.3
79.05491	14.3
81.03431	11.0
81.07056	100.0
83.04982	19.6
83.08614	3.7
84.08092	2.8
85.02905	7.0
85.06543	66.5
89.56288	2.2
91.05484	13.6
93.03403	2.1
93.07041	18.0
94.13770	2.7
95.04956	18.5
95.08608	24.3
97.06523	5.3
97.10203	2.6
98.03680	2.2
99.04433	4.8
99.08117	3.0
105.07045	19.7
107.08591	41.4
109.02870	18.9
109.06516	25.4
109.10153	67.4
110.10484	2.6
111.00798	7.6
111.04417	8.7
111.08061	11.4
111.09160	4.7
113.06007	10.8
121.10146	20.9
123.04428	6.8
123.08067	20.8
123.11708	82.3
124.12033	3.4
125.05972	3.0
125.09610	5.6
126.03167	11.3
127.03957	3.6
133.10129	16.1
134.05975	4.8
139.11165	16.2
141.05463	39.6
151.03876	10.5
151.07518	9.2
151.11166	37.8
152.07072	5.4
169.04977	26.9
169.07588	4.5
169.10017	2.8
169.12227	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00291	1.7
53.03935	5.5
53.96500	1.4
55.01863	2.6
55.05509	21.0
57.03423	3.7
57.07069	8.0
58.48412	1.2
59.05003	7.1
59.52360	1.3
65.03924	5.1
66.04705	1.8
67.05138	2.3
67.05501	38.7
69.03418	6.2
69.07071	25.8
70.53378	5.2
71.01311	1.3
71.04989	37.3
72.05309	1.4
73.06554	16.4
75.04490	1.7
77.03938	1.5
78.04709	11.7
79.05493	43.1
81.03408	3.1
81.07053	61.8
82.07395	1.8
83.04977	11.0
83.08620	7.7
85.02901	2.2
85.06528	3.2
91.05470	17.8
92.86866	1.4
93.03424	3.6
93.07038	88.1
94.04166	1.6
94.07372	3.3
95.04960	8.2
95.08602	100.0
96.08926	3.5
97.06526	11.9
97.10142	1.6
98.06062	1.6
103.05453	1.7
105.07025	18.4
106.04177	4.7
107.04961	9.6
107.08588	65.2
108.08898	2.1
109.02845	3.4
109.06516	6.0
109.10141	22.7
111.04463	10.4
111.08083	12.9
119.08584	2.8
121.02850	2.3
121.06481	3.4
121.10139	88.2
122.10480	4.3
123.04424	18.5
123.08064	5.2
123.11716	14.0
124.05264	6.3
125.06002	8.3
125.09625	5.5
130.98492	1.3
131.08557	3.3
135.04346	1.9
139.07553	2.0
139.11156	7.0
149.02374	1.7
149.09621	16.4
149.13246	20.4
151.03902	3.0
152.04662	3.8
157.04976	1.7
167.03386	9.4
167.07043	71.1
167.10692	22.2
167.14313	10.0
168.07455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02378	0.6
53.03936	2.4
55.01865	1.4
55.05510	2.8
57.03195	0.3
57.03436	2.4
57.07073	0.8
59.04994	2.1
65.03931	1.4
66.04738	0.3
67.05507	4.8
68.02665	0.4
69.03416	1.8
69.07057	2.5
71.04980	1.0
71.51437	0.4
73.02913	0.5
75.04482	5.4
77.03887	0.9
78.04705	3.4
79.05024	0.7
79.05488	16.8
81.03420	1.3
81.07051	17.4
82.07365	0.5
83.04982	1.4
83.08614	0.6
87.04442	0.5
91.05476	14.4
93.03409	0.5
93.07037	100.0
94.04188	0.4
94.07362	2.2
95.04961	5.3
95.08601	7.0
97.02863	0.6
97.06518	4.3
103.05444	1.0
105.04514	1.4
105.07025	12.7
106.04150	1.8
106.07837	0.7
107.04955	3.5
107.08585	9.1
109.02880	1.1
109.06515	3.3
109.07634	0.4
111.04446	3.1
111.08076	17.6
112.08423	0.5
119.08551	2.1
121.01686	0.3
121.02853	0.8
121.06514	2.4
121.10134	86.4
122.07091	0.6
122.10469	2.6
123.04423	7.4
123.08059	3.1
123.11706	5.7
124.05225	1.8
125.05996	4.1
125.09612	0.9
131.08586	3.1
133.07608	1.2
134.03665	0.4
135.04416	2.6
137.05963	0.5
139.03845	0.6
139.07555	1.0
139.11165	6.8
149.02321	1.0
149.05972	0.8
149.09605	10.4
149.13277	0.7
150.10051	0.4
151.03920	1.7
152.04694	2.1
167.03397	3.0
167.07030	27.7
167.10658	9.7
167.14261	0.4
168.07465	0.8
177.41223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01868	1.5
55.05510	10.8
57.03437	1.9
57.07063	2.6
57.20809	0.9
59.04994	3.9
65.03931	2.7
66.04700	1.3
67.05502	20.9
69.03409	3.3
69.07063	13.6
69.55896	5.7
71.04987	22.6
72.05315	0.7
72.33520	0.7
73.06558	7.6
77.03926	0.9
78.04710	10.5
79.05491	24.5
81.03403	2.0
81.07050	31.4
83.04978	4.3
83.08614	4.1
85.06527	2.6
91.05478	10.4
93.03393	1.7
93.07038	42.8
94.04179	1.3
95.04967	7.4
95.08603	55.7
95.64188	0.7
96.08949	1.8
97.02849	1.0
97.06530	6.1
98.06902	0.7
103.05517	0.8
105.03373	1.3
105.04506	1.1
105.07027	8.7
106.04157	5.0
106.07802	1.0
107.04944	8.1
107.08588	31.8
107.09313	1.6
108.08907	1.4
109.02855	2.2
109.06493	4.6
109.07649	0.8
109.10152	13.0
111.04449	4.4
111.08093	4.6
119.08565	1.5
121.02891	1.5
121.06509	3.5
121.10136	48.4
122.03669	1.1
122.10452	1.8
123.04427	21.0
123.08049	2.8
123.11681	5.5
124.05249	8.6
125.05973	3.9
125.09617	2.5
129.45581	0.7
131.08553	1.5
134.03654	0.9
135.04420	0.9
137.02325	1.0
137.06001	1.0
139.07547	1.4
139.11162	5.2
149.02377	1.5
149.06010	1.2
149.09612	7.5
149.13248	12.8
150.09050	1.0
151.03899	9.5
152.04683	20.7
165.06944	0.8
166.31117	0.8
167.03407	4.7
167.07033	100.0
167.10652	13.3
167.14244	4.6
168.07388	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03941	2.0
55.01868	1.4
55.05500	3.5
57.03438	1.2
57.07068	1.6
59.05004	5.0
65.03939	2.0
66.04694	0.5
67.05502	5.0
69.03431	1.2
69.07054	3.7
69.62668	2.9
71.04986	1.2
73.02912	3.1
77.03951	0.6
78.04693	2.9
79.05490	21.5
80.05835	0.7
81.03438	0.9
81.07055	30.8
82.06576	0.8
83.04987	2.6
83.08602	1.1
87.04446	0.7
91.05477	9.1
93.03397	0.6
93.07042	39.2
94.07379	0.8
95.04966	3.1
95.08609	18.6
97.02914	0.6
97.06535	6.9
98.21474	0.6
103.05479	1.2
105.04551	0.7
105.07029	15.7
106.04179	1.3
106.07838	1.2
107.04974	3.5
107.08590	12.1
109.06514	3.2
109.07664	1.2
110.03635	0.9
110.08437	0.6
111.04467	2.6
111.08067	4.4
111.29812	0.5
114.79566	0.5
118.87774	0.5
119.06097	0.6
119.08588	2.0
120.08837	0.5
121.06511	4.0
121.10143	100.0
122.03634	0.8
122.07083	0.5
122.10490	2.4
123.04433	3.8
123.08096	4.7
123.08926	0.8
123.11707	12.9
124.05175	2.3
125.05983	8.9
125.09619	1.8
131.08562	2.6
133.07637	1.6
139.07581	0.6
139.11171	13.7
149.08397	1.1
149.09610	12.6
150.10239	1.3
151.03915	1.2
152.04715	0.8
167.03398	2.1
167.07048	17.8
167.09363	0.5
167.10666	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03943	2.2
53.57664	0.5
55.01864	1.0
55.05517	2.8
57.03432	0.9
57.07069	2.6
59.05003	5.4
65.03935	1.7
67.05501	5.7
69.03407	1.6
69.07063	2.8
70.06578	0.5
70.77453	1.5
71.04993	2.0
72.32346	0.5
73.02879	0.6
73.22143	0.4
77.03917	0.6
78.04705	1.6
79.05489	22.2
81.03415	1.0
81.07053	39.8
82.06601	0.7
83.04981	2.4
83.06116	0.6
83.08618	0.6
91.05470	6.3
93.03394	0.8
93.07041	29.8
94.06554	0.9
95.04971	4.7
95.08607	13.4
97.02903	1.0
97.06532	8.0
97.10159	0.6
97.47574	0.4
103.05475	1.6
105.07026	18.3
106.04160	0.7
106.07850	1.1
107.04990	3.4
107.08584	12.4
109.02879	0.9
109.06512	3.3
109.07636	1.3
111.04440	2.0
111.08073	2.0
119.06038	0.8
119.08573	3.8
121.02901	0.9
121.06540	3.7
121.10138	100.0
122.10450	2.2
123.04457	3.8
123.08062	5.1
123.10838	0.9
123.11710	13.4
124.01550	0.6
124.05180	1.5
125.05991	8.9
125.09614	1.4
131.08554	1.4
133.07611	2.0
139.03900	0.7
139.07520	0.6
139.11182	16.5
149.09624	9.7
150.10219	1.3
152.04732	0.9
157.04961	0.6
167.03398	2.7
167.07036	16.1
167.09319	1.0
167.10670	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.92814	0.6
53.03944	4.2
55.01867	2.5
55.05511	5.7
57.03442	1.3
57.07066	3.3
59.04996	5.3
60.13306	0.6
65.03931	3.4
66.04726	1.0
67.05502	15.9
68.05837	0.6
68.99785	0.8
69.03418	3.1
69.06693	0.8
69.07066	16.1
71.01345	0.8
71.04980	2.3
71.30848	1.1
73.02911	1.3
77.03918	0.8
78.04705	15.2
79.05491	35.0
80.05830	0.9
81.03408	2.1
81.07052	36.7
82.06541	0.6
82.07399	0.7
83.04984	8.5
83.08613	0.9
85.06525	1.5
87.04456	1.3
91.05475	11.6
92.06307	0.7
93.03390	3.3
93.07042	53.9
94.04196	1.3
94.07368	1.6
95.04971	6.7
95.08610	15.2
96.05731	1.3
96.08973	0.6
96.38338	0.6
97.02880	0.8
97.06528	9.6
97.10162	1.4
98.21020	0.8
99.04423	0.7
103.05453	2.6
105.03384	2.1
105.04503	1.6
105.07030	18.9
106.04164	7.0
106.07820	1.5
107.04961	7.9
107.08586	21.2
109.02876	2.4
109.06503	6.4
109.07630	1.9
109.10168	1.6
110.08427	1.3
111.04434	12.0
111.08078	3.2
111.11705	0.7
119.08582	3.4
120.02068	0.7
121.02871	0.7
121.06513	7.3
121.10139	100.0
121.22295	0.6
122.03659	1.7
122.07159	0.7
122.10469	2.1
123.04427	29.4
123.08060	7.1
123.09050	0.9
123.11703	11.3
124.05227	8.5
125.05990	10.0
125.09623	2.2
131.08540	2.2
133.07576	1.3
134.03607	1.5
135.04395	2.2
137.05991	1.2
139.03877	1.5
139.07495	1.7
139.11180	12.5
149.02321	1.6
149.05971	1.5
149.09608	17.6
150.09137	0.6
150.10237	2.2
151.03894	5.0
152.01033	0.8
152.04678	5.8
157.04945	1.1
167.03362	6.6
167.07031	97.2
167.10660	28.3
167.12860	1.0
167.14278	1.1
168.04106	0.8
168.07368	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02363	0.5
53.03944	3.5
55.01866	1.2
55.05510	2.9
57.07066	1.4
58.26886	0.5
59.04988	1.9
65.03947	2.3
66.04710	1.3
67.05175	0.6
67.05505	6.1
68.02650	0.5
68.05015	0.7
69.03416	1.0
69.07062	2.6
70.06600	0.5
70.13885	0.5
70.95567	1.0
70.95921	0.6
71.04969	1.0
77.03912	1.1
78.04710	17.8
79.05490	28.4
81.03421	2.7
81.06599	1.1
81.07055	19.0
81.07537	0.9
82.06575	0.6
82.07391	0.5
83.04993	3.4
83.06111	0.6
85.06539	0.6
91.05475	6.2
93.03383	1.7
93.07043	16.7
94.04175	2.3
94.07336	0.7
95.04964	7.7
95.08594	6.2
96.05740	1.5
97.06526	2.9
103.05457	0.8
105.03387	1.9
105.04540	1.1
105.07023	7.5
105.91987	0.5
106.04174	7.9
107.04960	16.1
107.08578	7.7
109.02888	2.3
109.06496	2.3
109.07640	1.7
111.04437	4.0
111.08067	2.0
119.08565	1.3
120.02135	0.8
121.01682	0.5
121.02871	0.5
121.06496	4.2
121.10141	39.7
122.03635	3.5
122.10497	1.0
123.04427	29.0
123.08070	1.8
123.11701	5.8
124.05231	12.1
125.05997	4.9
125.09640	0.8
130.04475	0.6
131.08536	0.8
134.03633	1.9
135.04375	1.1
137.05983	1.9
139.03915	0.6
139.07524	1.1
139.11162	5.9
149.02390	0.9
149.06006	0.8
149.09621	6.3
150.10272	1.2
151.03899	6.9
152.04691	7.8
167.03418	2.5
167.07031	100.0
167.10664	8.1
168.04149	0.9
168.07411	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02378	0.5
53.03945	2.0
55.01860	1.2
55.05505	2.0
57.03429	0.7
57.07064	0.9
59.04983	0.4
65.03918	1.5
66.04716	1.0
67.05505	4.5
69.03411	1.2
69.07063	1.7
71.04998	0.7
71.51266	0.7
75.04464	0.5
77.03925	0.5
78.04707	15.9
78.25354	0.3
79.05069	0.6
79.05487	11.8
80.05818	0.4
81.03414	1.4
81.06593	0.6
81.07052	9.6
82.07394	0.4
83.04976	2.0
83.08625	0.5
85.02873	0.4
88.61448	0.3
91.05473	5.1
93.03396	1.1
93.07038	18.4
94.04191	1.3
95.04957	3.9
95.08590	3.8
96.05743	1.6
97.02871	0.5
97.06515	3.0
97.10165	0.6
99.04433	0.5
103.05472	0.6
105.03367	1.0
105.04517	0.7
105.07031	5.4
106.04169	5.9
107.04956	5.0
107.08588	9.7
109.02887	1.8
109.06496	2.4
109.10134	0.8
110.03678	0.7
111.04454	2.9
111.08080	2.9
119.08582	0.9
121.01595	0.3
121.02853	1.0
121.06505	2.0
121.10138	26.2
122.03647	2.0
122.07093	0.5
122.10523	0.5
123.04422	25.9
123.08044	1.8
123.11703	3.4
124.05223	8.8
125.05995	3.2
125.09613	1.5
131.08537	1.2
134.03624	1.0
135.04390	1.3
137.02298	0.5
137.05968	1.4
138.03084	0.7
139.03894	0.5
139.07527	1.3
139.11163	2.5
149.02332	0.8
149.05948	0.5
149.09596	5.4
149.13225	0.5
151.03897	5.4
152.04674	6.4
167.03403	2.5
167.07027	100.0
167.10657	6.9
167.14291	0.8
168.04166	0.6
168.07428	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02363	0.4
53.03940	1.5
55.01863	1.0
55.05508	2.5
57.03428	0.7
57.07058	1.4
59.05003	2.2
65.03928	1.8
66.04713	1.4
67.05500	5.8
69.03416	1.6
69.07063	5.2
71.02292	0.8
71.04978	0.9
73.02901	0.4
76.21867	0.4
77.03905	0.7
78.04707	16.1
79.05031	0.8
79.05487	15.1
81.03402	1.6
81.07051	14.5
82.06557	0.9
83.04975	2.6
85.06528	0.7
85.07645	0.5
88.77110	0.4
91.05473	6.3
93.03391	1.8
93.07040	19.6
94.04183	1.1
94.07377	0.9
95.04955	4.8
95.08591	6.4
96.05757	0.9
96.38612	0.4
97.02878	0.7
97.06519	3.5
97.07629	0.4
103.05435	0.9
105.03403	0.8
105.04501	0.6
105.07027	7.2
105.64429	0.4
106.04166	7.2
107.04958	5.4
107.08582	8.8
109.02864	2.3
109.06520	2.8
109.07616	2.0
110.08424	0.6
111.04441	3.3
111.08073	2.6
111.09209	0.8
111.11670	0.4
119.08582	1.9
121.01752	0.4
121.02875	0.8
121.06511	3.5
121.10137	40.1
122.03626	1.5
122.07147	0.5
122.10463	0.9
123.04424	27.2
123.08048	2.4
123.11681	3.5
124.05221	8.5
124.08693	0.7
125.06027	3.3
125.09637	1.1
131.08546	1.4
133.07611	0.8
134.03607	1.2
135.04398	1.8
137.05952	1.3
138.03098	0.7
139.07555	1.5
139.11179	5.4
149.02350	1.1
149.05925	0.6
149.09618	6.6
149.13170	0.5
150.03116	0.6
150.10225	2.2
151.03879	5.6
152.04678	5.6
157.04948	0.6
167.03366	3.9
167.07027	100.0
167.10652	9.4
168.04234	0.6
168.07402	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
51.02377	0.3
53.03938	1.3
53.04144	0.2
55.01868	2.5
55.05503	1.2
57.03431	0.3
57.07060	0.2
63.23328	0.2
65.03932	1.3
67.01859	1.8
67.05507	1.6
68.02616	0.6
68.99788	6.5
69.03432	1.7
69.07066	1.1
71.01331	0.6
71.04977	0.8
71.51788	0.4
77.03928	0.3
78.04716	1.3
79.01838	0.7
79.05484	3.5
81.03413	2.6
81.07053	2.1
82.06565	0.3
83.04966	1.7
83.08607	0.3
84.37901	0.2
84.96021	0.4
85.02902	0.3
91.05473	1.5
93.03391	0.9
93.07037	4.2
95.04955	2.0
95.08609	1.1
96.02115	0.8
96.04469	0.8
97.02900	1.6
97.06506	1.0
98.06094	0.3
99.04465	1.4
105.07038	1.1
106.04164	0.6
107.04942	1.6
107.08593	4.2
109.02866	1.2
109.06500	1.5
111.00771	0.3
111.04431	4.0
111.08072	0.8
119.24948	0.2
121.01663	1.0
121.02840	0.9
121.06493	1.0
121.10135	5.3
123.04411	2.9
123.08038	0.8
123.11687	0.6
124.01559	13.6
124.05229	1.2
125.02302	0.4
125.05983	0.7
125.09625	0.6
126.05518	0.4
127.03904	0.8
131.08554	0.5
135.04417	0.3
137.02304	1.2
138.05447	0.4
139.02672	0.7
139.03883	1.3
139.07489	1.1
139.11116	0.4
141.27574	0.2
142.96648	0.3
144.03252	0.9
149.02318	1.4
149.05966	0.8
149.09631	1.8
149.13283	0.4
151.03906	0.5
152.01041	4.6
152.04666	0.6
152.06186	0.7
162.04338	0.2
165.06955	0.5
166.07811	0.3
167.03391	100.0
167.07065	12.0
167.08534	2.3
167.10646	2.7
167.14268	0.5
168.03761	2.6
168.06505	0.4
170.02095	12.8
183.67216	0.2
185.04475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.33749	0.1
53.03935	0.2
56.96554	0.5
62.37548	0.1
67.05486	0.1
68.87847	0.1
70.90310	0.2
70.90641	0.2
70.98109	0.2
73.06531	0.2
77.03928	0.2
79.05488	1.8
79.63622	0.1
80.94931	0.2
91.05467	0.8
93.07044	2.6
95.04383	0.1
95.04968	0.4
97.02868	0.3
98.97562	0.3
102.26289	0.1
103.05463	11.3
104.05792	0.3
105.04515	0.2
106.99080	0.1
107.04948	3.0
108.05336	0.1
109.07616	0.1
111.04491	0.1
116.98640	0.1
118.06517	0.2
119.01826	0.1
120.08099	100.0
121.06544	0.2
121.07593	0.2
121.08443	3.0
123.04424	0.3
124.99040	0.1
128.04651	0.1
131.04909	1.9
131.05830	0.2
135.04399	0.2
137.05911	0.1
147.03291	0.3
149.04533	0.3
149.05957	0.5
151.03873	0.2
155.04678	0.4
158.99701	0.2
164.57797	0.1
165.04303	0.1
166.04953	0.2
166.07239	1.1
166.08644	1.1
166.09737	0.1
167.05650	0.9
167.07043	0.6
170.61446	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	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.01581	0.2
50.44989	0.1
50.57877	0.1
53.00304	0.2
53.03943	0.9
55.01604	0.1
55.01869	2.0
55.05493	0.6
57.03428	0.2
59.05004	0.1
59.49547	0.1
65.03954	0.8
66.04237	0.1
67.01864	0.7
67.05506	0.6
68.02635	0.7
68.99788	9.0
69.03429	1.0
70.06735	0.2
70.07149	0.5
71.01350	0.9
71.04978	0.4
78.01093	0.2
79.01833	0.4
79.05489	0.8
81.02989	0.2
81.03416	2.1
81.07042	0.3
83.04990	1.1
87.04459	0.1
91.05474	0.3
93.03397	0.5
93.07034	0.5
95.04948	0.5
95.08604	0.3
96.02104	0.8
97.02888	1.2
97.06534	0.2
99.04440	1.5
107.01340	0.1
107.04942	0.4
107.08601	0.7
108.02084	0.2
109.02880	0.5
109.06519	0.4
111.00784	0.3
111.04432	2.7
121.01653	0.3
121.02856	0.6
121.06493	0.1
121.10153	0.5
123.04422	0.3
123.08003	0.2
124.01564	14.9
125.01878	0.2
125.02318	0.2
127.03934	1.0
135.00745	0.2
137.02356	1.6
139.02875	0.2
139.03888	1.1
139.07585	0.2
139.11186	0.2
141.05492	0.1
144.03253	0.3
149.02351	0.5
149.09587	0.3
152.01038	6.5
152.04640	0.1
153.01346	0.2
157.04967	0.1
167.03392	100.0
167.10646	0.5
167.90492	0.1
168.03728	2.7
168.06668	0.1
170.02094	14.2
171.02438	0.3
176.80058	0.1
181.70033	0.1
185.04480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02384	0.7
53.03944	6.4
55.01854	0.6
55.05508	4.5
56.96561	0.8
57.03422	1.1
57.07073	4.1
58.27640	0.5
59.05011	2.6
59.05269	0.5
64.19738	0.5
65.03926	1.8
66.04704	0.9
67.05138	0.6
67.05502	13.8
69.03426	28.2
69.07064	9.7
69.24052	3.2
69.24476	2.1
70.06593	0.5
71.04978	2.1
77.03899	0.9
79.05492	9.3
81.03415	23.1
81.07051	23.3
83.04972	3.6
83.06073	0.5
83.08632	0.8
85.06530	0.9
91.05476	14.3
93.07040	6.3
94.04154	1.1
95.04965	17.7
95.08598	21.3
96.05326	0.4
97.06524	0.5
101.00831	0.6
103.05425	1.1
105.03361	2.4
105.04507	0.6
105.07027	10.8
107.01331	1.0
107.04927	1.6
107.06089	0.5
107.08585	9.2
108.05725	0.8
109.02856	0.7
109.06510	19.3
109.10152	6.1
110.07305	3.2
111.08060	1.1
113.55655	0.5
117.07012	1.4
119.01928	2.3
119.04942	9.5
119.08575	18.8
120.05310	0.5
120.08109	0.6
121.06497	1.7
121.10143	7.3
122.03616	2.2
122.07202	3.1
123.04425	1.5
123.08062	24.7
123.11694	12.4
124.08688	1.1
124.11969	0.6
132.09378	0.6
133.02846	3.9
133.06540	0.7
135.04401	0.7
135.08037	0.8
135.11693	0.9
137.03014	1.1
137.05981	5.1
137.09612	7.5
137.13246	3.3
138.06627	0.6
142.03519	1.5
147.04408	17.8
147.08037	1.7
147.11688	6.0
150.03090	1.4
150.10341	1.0
165.01836	0.7
165.04199	1.0
165.05498	15.0
165.09082	10.1
165.12741	100.0
166.13094	2.8
168.04143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03954	1.7
55.01876	1.6
55.05506	3.3
55.06590	0.4
57.03440	2.5
57.07076	2.5
59.05010	0.6
62.78125	0.4
65.03942	1.1
67.05503	10.5
67.05842	0.8
68.09636	0.4
69.03420	3.2
69.07059	5.1
69.57433	2.7
71.04993	1.1
71.08662	0.5
77.03941	0.5
79.05489	8.0
79.05921	0.7
81.03419	2.4
81.07055	15.7
83.04990	2.3
83.08620	1.6
84.44356	0.4
91.05478	13.1
91.06023	0.7
92.05824	0.7
93.07046	12.3
94.04194	0.9
95.04966	8.9
95.08602	13.1
97.06518	0.6
98.21564	0.5
99.75990	0.4
103.05456	1.3
104.04993	0.8
105.03403	1.2
105.04523	0.5
105.07026	12.5
107.04951	2.5
107.06102	0.6
107.08585	10.0
108.05727	0.5
109.02857	0.6
109.06508	20.8
109.10151	12.4
110.06776	0.6
117.07010	1.5
119.01939	1.7
119.04936	6.0
119.08576	22.2
120.08086	0.6
120.08901	0.5
121.06528	1.5
121.10136	20.7
122.03654	2.4
122.07288	8.0
123.04449	0.8
123.08070	12.2
123.08955	0.6
123.11713	5.3
124.08660	0.4
133.02840	1.6
133.06526	2.2
133.07524	0.4
135.08020	2.5
137.02913	0.8
137.06035	4.1
137.09610	100.0
137.13152	2.2
138.09949	3.0
142.03491	1.3
147.03242	0.8
147.04405	12.1
147.08031	1.4
147.11682	6.2
148.02151	22.8
148.07533	1.1
150.03102	1.5
150.10400	4.2
165.01753	0.5
165.04214	0.9
165.05490	9.6
165.06792	0.5
165.09117	4.3
165.12741	38.6
166.03212	2.0
166.06007	0.5
166.08586	0.4
166.13049	0.9
168.04207	0.9
181.58282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02364	0.9
53.03949	5.3
53.04735	0.4
55.01853	1.3
55.05504	5.5
56.05011	0.7
56.96299	0.7
56.96563	7.6
57.03411	1.3
57.07070	3.7
59.04980	2.0
65.03923	1.6
66.04720	0.6
67.05502	17.7
68.04946	0.5
68.99816	0.5
69.03425	25.0
69.07063	9.5
70.06551	0.5
70.47768	1.4
71.04996	2.2
71.08622	0.5
77.03925	1.1
79.05487	10.9
81.03416	22.0
81.04525	1.0
81.07051	25.2
82.07366	0.8
83.04977	4.4
83.06122	1.1
83.08598	1.6
85.06540	1.2
88.46867	0.4
91.05478	18.2
92.05817	0.5
93.06483	0.7
93.07037	8.8
94.04172	1.1
94.07820	0.6
95.01392	0.5
95.04964	16.4
95.08603	25.1
96.08949	0.5
97.06505	1.0
101.00838	0.8
101.02592	0.6
103.05484	2.4
104.06242	0.7
105.03355	1.2
105.04498	0.6
105.07030	14.5
107.01318	0.6
107.04943	2.8
107.06067	1.1
107.08586	12.4
108.05692	1.3
109.02858	1.4
109.04076	0.8
109.06512	21.2
109.10151	11.8
110.07314	2.5
111.08074	1.1
115.00673	1.6
117.06992	2.2
118.04662	0.6
119.01259	0.5
119.01935	4.0
119.04933	11.6
119.08575	23.9
120.08059	0.8
121.02831	0.7
121.06480	1.4
121.10146	9.3
122.03643	2.6
122.04904	1.3
122.07256	5.1
123.04427	1.8
123.08063	30.6
123.10834	1.0
123.11696	16.0
124.08684	1.8
130.06416	0.7
131.05437	1.1
132.09373	0.5
133.01703	2.9
133.02831	3.7
133.06549	1.0
133.10101	0.7
135.04477	0.6
135.08046	1.2
135.11717	1.1
136.08765	0.6
137.03000	0.5
137.05992	6.5
137.07870	1.4
137.09608	16.0
137.13229	3.2
138.06612	0.5
138.10104	0.8
142.03477	2.2
142.06477	3.4
142.96692	0.7
147.03242	1.1
147.04404	21.5
147.08070	4.0
147.11687	8.2
148.04808	0.9
148.08656	1.6
150.03111	1.5
150.10408	1.1
151.02702	0.5
151.06999	5.3
151.11140	1.5
151.57137	0.8
153.57240	0.6
160.04657	0.8
162.57761	0.9
165.01837	1.7
165.05495	18.1
165.06854	0.8
165.09108	17.8
165.12744	100.0
166.13097	3.4
168.04182	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
51.46841	0.6
53.03947	5.4
55.01862	1.5
55.05508	5.9
56.05019	0.7
56.96307	0.6
56.96565	9.6
57.03421	1.3
57.07079	3.6
59.04993	2.7
65.03922	2.4
66.04732	0.5
67.05501	18.3
68.05015	0.6
69.03427	22.4
69.06729	0.7
69.07066	7.9
70.06593	1.2
70.80209	1.5
71.04977	2.4
72.59672	0.5
75.94394	0.5
77.03935	0.8
79.05486	12.7
80.05000	0.8
81.02937	0.8
81.03418	20.7
81.07055	26.7
82.03751	0.6
83.04981	4.0
83.06097	1.3
83.08600	1.6
85.06528	0.6
91.04903	1.0
91.05476	21.2
92.05793	0.8
93.07040	9.6
94.04173	1.2
95.04379	1.1
95.04963	17.3
95.08604	23.4
95.41377	0.6
97.06503	1.8
97.07661	0.6
98.71301	0.5
101.00844	0.8
103.05460	2.1
105.03381	2.8
105.04488	1.1
105.07027	15.2
107.01245	0.7
107.04945	2.3
107.06074	1.1
107.08591	12.4
108.05718	1.3
109.02899	0.9
109.04093	1.0
109.06511	21.5
109.09387	0.7
109.10149	15.2
110.07256	2.0
110.10474	0.7
110.75353	0.5
111.08056	1.2
111.09202	0.9
115.00689	3.5
117.07021	2.2
118.04570	0.7
119.01937	4.5
119.04937	14.3
119.08578	28.2
120.08084	0.9
120.08900	0.7
121.04156	0.7
121.06516	2.1
121.07590	0.7
121.09335	0.9
121.10143	11.1
122.03670	2.9
122.04917	2.1
122.07232	4.2
123.04414	1.9
123.08063	29.7
123.10837	1.2
123.11700	16.6
124.05384	0.6
124.08707	2.4
125.09438	0.5
130.06468	1.0
131.05396	2.2
133.01715	2.9
133.02837	3.9
133.06494	1.4
133.07463	0.7
133.10161	0.8
133.26106	0.6
135.04398	1.1
135.08032	1.7
135.11708	1.0
136.08771	1.0
137.03009	1.2
137.04932	0.7
137.05959	7.3
137.07988	0.9
137.09607	20.2
137.13255	2.9
138.09981	0.5
142.03497	2.9
142.06461	6.2
142.56479	1.1
143.03654	0.6
147.04405	26.5
147.08038	4.5
147.11679	7.8
148.04778	1.2
148.08633	1.0
150.03113	1.4
150.10400	1.0
151.06985	6.0
151.11182	2.3
151.57063	0.9
152.11580	0.5
153.57228	1.2
160.04527	1.4
160.07547	0.7
165.01831	2.2
165.05499	19.8
165.06882	1.2
165.09108	21.2
165.12741	100.0
166.09569	0.6
166.13100	3.3
168.04187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.02389	0.3
51.93987	0.2
53.03949	0.9
55.01864	0.3
55.05507	1.3
62.17575	0.2
65.03938	0.7
67.05502	12.1
67.47971	0.2
68.05833	0.2
69.03423	0.9
69.07071	0.6
70.80102	0.5
71.05004	0.4
77.03910	0.5
78.04691	0.3
79.05486	4.6
81.03413	0.5
81.07050	5.7
82.07388	0.2
83.04980	1.7
84.28436	0.2
91.05474	16.4
92.05822	0.5
93.07030	2.9
94.04150	0.4
95.04958	3.4
95.08603	3.0
103.05451	2.1
104.06256	1.6
105.03399	0.5
105.04511	0.2
105.07030	3.2
107.01308	0.5
107.04958	2.2
107.08588	1.9
108.05712	0.2
109.06497	2.2
109.10151	12.6
110.10477	0.3
115.05453	0.9
117.07002	3.0
119.01908	0.3
119.04940	3.5
119.08575	19.2
120.08087	0.3
120.08881	0.4
121.06539	1.1
121.10114	1.2
122.03688	1.1
122.07285	9.1
123.04476	1.2
123.08080	3.4
132.05672	0.4
133.02838	0.5
133.06490	1.1
135.04446	0.3
135.08063	0.4
137.06010	2.4
137.09607	40.0
138.09967	1.4
147.04408	5.8
147.08043	3.9
147.11652	1.0
148.08540	0.4
150.03123	0.8
150.06760	0.3
165.05449	6.0
165.09100	100.0
165.12671	1.8
166.05962	0.2
166.09474	3.7
168.04178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.25645	0.4
51.37763	0.3
53.03944	1.8
54.00130	0.4
55.01863	1.0
55.05516	2.1
59.04993	0.6
65.03934	1.1
66.04707	0.3
67.05136	0.6
67.05502	12.9
69.03416	1.4
69.07060	0.8
69.65485	2.2
70.06573	0.8
71.04974	1.1
76.02408	0.4
77.03927	0.4
77.40971	0.3
79.05489	5.5
81.03397	1.3
81.07055	6.1
83.04980	2.3
83.06081	0.6
91.05477	18.8
92.05809	0.5
93.07043	4.1
94.04199	0.5
95.04968	5.7
95.08602	5.2
97.10146	0.4
103.05450	2.4
104.06268	1.7
105.03384	1.3
105.07033	3.7
107.04943	2.2
107.06062	0.4
107.08598	3.0
109.02878	0.4
109.06499	3.7
109.10154	14.4
115.05438	1.0
117.07004	3.5
119.01930	2.3
119.04951	4.5
119.08575	23.2
120.08140	0.4
120.08916	0.9
121.06501	1.5
121.10149	1.7
122.03647	0.8
122.07278	10.6
123.04436	1.3
123.08094	4.8
123.11674	0.7
133.02849	1.4
133.06462	0.5
135.04390	0.5
135.08084	0.5
136.08830	0.5
137.02989	0.4
137.05983	2.6
137.09610	44.1
138.09950	1.1
142.03485	1.2
147.04402	8.4
147.08032	4.9
147.11696	1.7
148.08578	0.9
149.19589	0.4
150.03067	0.5
165.05487	7.2
165.09105	100.0
165.12729	4.3
166.08463	0.4
166.09500	3.7
168.04149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03938	3.4
54.07692	0.6
54.81477	0.7
55.01849	1.7
55.05478	3.3
57.03411	1.0
59.05002	4.6
65.03909	2.1
67.05499	18.7
69.03432	6.9
69.07057	1.9
70.66315	2.5
71.04988	11.4
77.03889	1.4
78.82320	0.6
79.05489	22.5
80.04960	0.9
81.03381	3.2
81.06612	0.8
81.07052	15.0
83.04953	2.3
83.06084	1.4
89.03862	1.1
91.05476	42.1
92.05810	1.4
93.07042	14.7
94.04163	1.5
94.07333	0.8
95.04965	15.4
95.08604	19.3
96.08918	0.7
96.34868	0.7
97.46748	0.7
101.00858	1.4
103.05469	5.3
104.06247	1.9
105.03357	2.2
105.04489	1.6
105.07025	24.7
106.07825	1.6
107.01302	0.9
107.04951	7.6
107.06067	1.6
107.08572	6.2
108.05704	3.1
108.08927	0.7
109.02851	3.3
109.06515	8.6
109.10151	11.9
115.02504	0.7
117.07009	6.9
119.01926	6.6
119.04942	29.6
119.08575	100.0
120.05328	1.5
120.08154	1.1
120.08884	4.3
121.06504	2.5
121.10130	10.6
122.03623	5.3
122.07274	6.7
122.10444	1.1
123.04430	3.4
123.08061	53.2
123.11684	2.9
124.08572	1.1
125.06002	2.0
128.06146	0.9
129.07043	1.0
132.05721	1.0
133.02817	3.8
133.06523	1.1
133.07547	1.2
135.04382	1.2
137.02980	1.3
137.05013	1.1
137.05975	9.7
137.08546	1.7
137.09608	33.6
138.09996	1.2
142.03534	3.5
142.96745	1.3
147.04405	51.6
147.08041	14.4
147.11681	6.1
148.04820	2.2
148.08618	1.4
150.03134	2.5
160.04590	1.3
165.01855	2.0
165.04448	0.5
165.05513	25.7
165.06995	4.4
165.09093	27.6
165.11426	1.3
165.12738	11.0
166.05962	1.6
166.09540	0.9
168.04213	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	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.02379	2.0
53.03934	6.4
55.01855	4.3
55.05496	4.8
56.05041	2.7
59.04983	6.0
65.03928	3.4
66.04708	2.1
67.05505	30.4
68.84201	1.5
69.03414	6.4
69.07060	3.3
70.06578	2.7
70.83163	4.9
71.04990	28.3
71.46222	1.7
77.03901	2.0
79.05075	2.8
79.05493	34.8
81.03403	3.9
81.07063	17.0
83.04980	1.8
83.06083	2.7
86.84007	1.7
91.05480	40.7
93.07049	16.1
94.04180	3.3
95.04969	20.2
95.08607	30.2
103.05450	6.1
104.06246	2.8
105.03382	3.9
105.04503	2.5
105.07025	35.5
107.01323	1.9
107.04953	10.6
107.08599	11.1
108.05715	3.4
109.06533	10.8
109.10168	18.5
117.07027	6.7
119.01910	2.8
119.04942	14.2
119.08581	100.0
120.08109	2.1
120.08901	4.2
121.06490	2.1
121.10152	12.6
122.03635	6.9
122.07255	8.8
123.04453	3.6
123.07220	3.0
123.08070	52.0
123.11690	4.0
124.08676	6.7
125.05996	2.1
133.02831	6.6
133.06487	3.2
133.07570	2.6
134.27504	1.8
134.71190	1.7
135.04434	1.7
137.05991	16.6
137.09613	62.9
138.09946	1.8
147.04398	22.8
147.08026	19.4
147.11682	6.0
148.08623	4.2
150.03139	3.8
165.01883	2.7
165.04193	3.5
165.05479	41.1
165.07825	1.5
165.09111	41.7
165.11356	5.0
165.12752	10.7
166.09619	2.2
168.04247	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	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.91460	1.0
51.02382	1.3
53.00299	1.1
53.03936	5.3
55.01846	3.6
55.05496	4.1
56.05021	1.6
57.03431	2.0
57.07057	1.5
59.05002	5.4
64.67553	1.0
65.03924	3.5
67.05507	25.7
68.05014	2.5
69.03427	9.0
69.07073	5.3
69.95650	1.7
69.96060	4.0
70.06574	1.9
71.04986	13.4
77.03920	2.9
79.05489	26.9
79.71229	1.2
80.04997	2.0
81.03394	3.6
81.04499	1.6
81.06602	1.5
81.07053	21.7
82.06563	1.1
83.04976	2.4
83.06075	3.5
83.08585	1.3
85.07652	1.1
86.05415	0.9
91.05482	48.9
92.05813	1.4
93.07039	18.1
94.04160	3.4
95.04394	2.2
95.04970	35.7
95.08601	26.6
97.06525	1.0
97.07642	2.0
98.07152	1.3
103.05470	5.7
104.06232	1.1
105.03360	4.3
105.04511	1.3
105.07028	35.2
107.04951	8.8
107.06053	2.2
107.08590	18.9
108.05697	3.0
109.02851	4.1
109.06516	18.3
109.07228	1.4
109.07616	2.6
109.10167	10.8
110.07149	1.4
110.48229	1.1
111.09167	1.1
115.05389	1.2
117.06995	7.7
119.01926	5.5
119.04137	1.9
119.04945	28.2
119.08581	100.0
120.08115	2.1
120.08892	4.0
121.06458	3.2
121.07646	1.8
121.10145	15.2
122.03636	3.5
122.07249	8.1
123.04449	5.9
123.08064	59.3
123.11714	7.9
124.08631	4.4
125.05930	1.1
125.09475	3.2
129.06927	1.8
131.04799	1.2
132.05672	3.1
133.02850	6.1
133.06444	4.7
133.07439	1.4
135.04358	1.6
137.02936	3.1
137.05983	13.8
137.09619	37.9
137.13240	1.8
138.10139	1.2
142.03477	4.3
147.03247	2.2
147.04405	42.4
147.08040	22.0
147.11667	6.4
148.08658	2.1
150.03091	2.5
160.04543	1.2
165.01787	2.5
165.05487	35.5
165.06859	1.2
165.09114	31.6
165.11357	7.3
165.12721	35.3
166.04895	2.3
166.09660	1.4
168.04039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02372	0.7
51.44573	0.3
53.00311	0.5
53.03949	2.3
55.01868	5.3
55.05508	1.5
56.05018	0.7
58.06608	0.6
59.04991	0.7
65.03928	2.4
66.04735	0.8
67.05499	4.2
68.05030	1.7
68.99793	0.9
69.03417	1.4
69.07069	0.5
69.22132	2.2
69.22556	2.1
70.06594	1.2
71.04982	1.2
77.03933	1.1
79.05491	20.1
80.05022	0.9
81.03426	0.8
81.04516	1.0
81.07055	4.0
82.06589	0.8
83.04953	0.9
83.06078	2.2
83.73014	0.4
85.07671	0.8
91.05477	19.4
93.03408	0.6
93.07030	3.1
94.04200	2.1
95.04964	7.3
95.05995	0.7
95.08594	3.5
97.02860	0.4
97.07653	1.1
97.50584	0.4
101.00889	1.3
103.05463	10.7
105.03383	2.2
105.04524	1.6
105.07027	100.0
106.07359	3.0
106.27091	0.4
107.04975	2.5
107.06064	1.3
107.08579	1.3
109.02869	1.8
109.06511	6.7
109.07652	1.1
109.10151	3.2
111.04400	1.2
111.09206	0.6
115.05441	1.6
116.99636	0.4
117.07015	1.2
119.01917	5.0
119.04939	18.9
119.05812	0.9
119.08573	12.0
120.05318	0.9
120.08120	0.7
120.08897	0.6
121.07632	0.9
121.10134	1.1
122.03658	7.1
122.07188	2.3
123.04443	2.4
123.08060	3.8
124.05204	3.4
124.08720	1.4
125.05971	0.5
125.09490	1.1
132.05669	0.7
133.02838	1.8
133.06487	79.0
134.06810	2.3
135.04388	1.1
137.02997	1.3
137.05971	78.5
137.09557	4.8
138.05408	0.6
138.06342	2.5
138.10184	0.7
142.03487	3.5
142.96678	0.9
147.04402	39.2
147.08044	3.9
147.11642	0.8
148.04730	1.6
148.08646	1.6
150.03029	0.5
150.06728	1.6
151.07588	0.8
160.04524	1.7
165.01791	1.6
165.05476	17.0
165.07803	1.0
165.09105	24.1
165.11349	2.5
165.12756	2.1
166.04897	0.5
166.09641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03944	7.2
55.01866	2.1
55.05502	2.5
55.98891	0.9
57.75265	0.9
59.04994	5.0
65.03923	2.1
66.04706	1.2
67.05504	18.5
69.03431	5.3
69.07078	1.1
70.41064	1.4
71.04988	15.2
77.03910	1.8
79.05492	22.2
80.42182	0.8
81.03413	1.5
81.07047	12.2
83.04980	2.0
85.46439	1.0
86.23516	1.0
91.05477	40.3
93.07047	15.0
94.04179	2.5
95.04967	16.0
95.08604	17.5
96.08882	0.9
103.05474	4.9
104.06243	1.5
105.03374	4.4
105.04494	1.5
105.06326	1.5
105.07034	23.2
107.04950	7.2
107.08617	4.2
108.05724	3.9
109.02870	2.5
109.06520	7.8
109.10159	15.1
117.07012	6.0
119.01896	2.2
119.04122	1.7
119.04937	19.4
119.08577	100.0
120.08894	3.0
121.02794	1.0
121.06460	4.4
121.10142	9.5
122.03618	3.3
122.07278	5.5
123.04408	4.1
123.08066	61.0
124.08430	1.2
125.05946	2.4
130.94098	1.2
132.05705	1.0
133.02858	6.3
133.06511	1.8
133.07533	0.9
134.18405	0.9
137.05978	11.0
137.09607	39.0
138.09930	2.1
142.03479	2.0
142.96629	0.9
147.04408	32.9
147.08028	16.6
147.11679	2.5
148.04787	1.8
148.08492	1.1
149.33681	1.0
150.03009	1.2
150.93939	0.8
153.75848	0.8
165.01897	1.4
165.04185	1.8
165.05475	29.8
165.09114	33.3
165.11398	1.3
165.12756	6.6
165.13934	1.1
166.06006	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	165.091
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.00299	1.5
53.03946	7.3
55.01854	3.3
55.05500	9.1
56.05021	3.6
57.03413	1.5
58.06600	1.1
59.04989	5.9
65.03922	3.5
66.04712	2.8
67.05497	21.6
68.05029	4.2
68.99778	1.6
69.03423	9.3
69.07071	2.4
70.06573	3.2
70.97861	1.5
70.98196	2.5
71.04987	18.8
77.03918	3.2
79.05491	32.1
80.05016	3.0
81.03413	2.8
81.04523	2.5
81.07046	19.0
82.06561	3.2
83.04964	2.4
83.06086	4.7
85.07686	1.8
91.05476	59.9
92.05820	1.3
93.07043	21.4
94.04173	4.7
94.60161	1.1
95.04966	22.3
95.06072	1.7
95.08598	19.7
97.07648	1.7
101.00887	2.4
103.05479	7.6
104.06269	1.7
105.03378	9.1
105.04520	4.0
105.07024	26.6
107.04947	10.1
107.06078	4.0
107.08589	5.5
108.05711	2.9
109.02871	5.8
109.06522	14.7
109.07636	2.5
109.10159	17.0
110.07140	1.4
110.10468	1.2
111.09227	1.1
115.37418	1.0
117.07012	8.1
119.01916	11.1
119.04937	36.1
119.08573	100.0
120.02025	1.2
120.05289	1.5
120.08109	2.4
120.08893	2.9
121.06500	6.7
121.07609	2.4
121.10138	10.5
122.03694	8.4
122.07238	9.7
123.04424	11.1
123.08064	51.1
123.08967	2.7
123.11694	1.7
124.05017	1.3
124.08732	6.0
125.05990	2.4
125.09503	2.9
129.07007	2.0
132.05647	1.9
133.02838	12.8
133.06456	2.4
133.07547	1.3
135.04433	2.1
137.02960	3.3
137.05960	25.5
137.08545	2.3
137.09607	45.9
138.05469	1.2
138.06615	1.5
138.09117	1.6
138.10197	3.5
142.03477	9.8
142.96703	1.3
146.50774	1.1
147.04402	57.9
147.08054	21.5
147.11685	2.8
148.04749	2.5
148.08614	6.6
150.03116	1.2
152.37907	1.0
160.04526	2.5
165.01810	4.4
165.05472	56.4
165.07722	1.9
165.09102	28.6
165.11354	7.4
165.12755	6.2
166.04866	2.2
166.09647	1.5
168.04262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03935	1.9
55.05499	3.3
67.05501	21.2
68.78020	1.2
69.51723	9.9
77.03906	1.6
79.05483	5.1
79.25379	1.2
81.07047	8.2
83.04977	3.6
91.05471	11.1
93.07062	2.8
95.04958	5.2
95.08612	3.3
105.03402	2.9
105.07007	1.6
107.04929	3.9
108.91223	1.3
109.06510	4.0
109.10153	18.7
119.01949	1.5
119.04955	1.6
119.08577	15.0
121.06541	2.6
122.03612	1.6
122.07284	16.1
133.02876	2.8
135.04448	1.5
137.05983	3.3
137.09616	55.4
138.10016	2.0
142.03546	1.3
147.04404	5.1
165.05429	14.4
165.09103	100.0
166.09471	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	165.0546
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	2.3
55.01868	0.6
55.05498	0.4
65.03931	0.8
66.04710	0.6
67.05499	1.3
69.03417	0.5
71.04972	0.6
71.47610	0.5
75.02370	0.5
77.03912	1.2
79.05487	6.2
81.03400	0.9
81.07043	1.7
83.04948	0.4
83.06086	0.6
91.05472	4.5
92.02617	1.6
93.07019	0.8
94.04177	1.0
95.01279	0.3
95.04964	3.9
95.08596	1.2
96.02267	0.3
101.00851	0.3
103.05449	0.5
105.03402	1.7
105.04513	0.7
105.07029	1.7
107.01302	13.7
107.04939	3.5
107.06100	0.3
107.08575	0.8
109.02839	0.3
109.06512	2.8
109.10147	1.6
117.07013	0.5
119.01948	0.8
119.04921	2.3
119.08577	5.0
119.77212	0.3
120.02089	0.4
121.02828	0.4
121.06487	0.3
121.10139	0.6
122.03637	27.0
122.07183	0.9
123.03948	0.4
123.04443	0.5
123.08047	2.1
125.05992	1.9
133.02853	0.9
133.06453	0.5
133.68279	0.2
135.04417	2.7
135.05368	0.5
135.61026	0.2
137.05957	3.1
137.09628	2.9
142.03502	0.4
144.14882	0.2
147.04382	4.5
147.08063	1.1
147.11629	0.7
150.03111	27.4
151.03474	0.4
165.05460	100.0
165.09067	4.8
165.12717	0.7
166.05835	2.6
168.04167	21.1
169.04541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35373	0.3
55.69111	0.3
55.76575	0.3
56.00225	0.3
56.96558	0.8
67.98191	0.3
68.05056	0.3
69.03460	0.4
70.36146	1.3
75.66642	0.3
79.05508	0.4
80.94967	0.6
82.01424	0.8
82.99821	1.8
87.69754	0.3
88.16160	0.3
89.64171	0.3
91.05483	1.2
95.04964	0.6
97.02884	0.6
98.97578	0.4
100.02483	1.0
101.00881	27.9
102.00970	1.2
109.06513	0.3
119.01919	100.0
120.02017	3.4
121.02284	0.3
123.04455	0.9
124.02441	4.0
137.02954	30.2
137.05913	0.7
138.03058	1.0
142.03496	61.1
143.03650	2.3
147.04424	1.2
160.04558	21.3
160.44472	0.3
161.04720	0.9
165.05293	3.5
166.07286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98466	0.4
61.83002	0.3
70.99796	0.4
71.00118	0.6
72.66839	0.3
80.82912	0.4
82.01469	0.4
82.99821	2.1
91.34134	0.4
96.37426	0.3
100.02486	1.0
101.00876	30.8
102.00986	1.0
119.01915	100.0
120.01986	4.8
121.02355	0.4
124.02443	3.7
137.02948	27.5
138.03064	1.2
142.03491	52.6
143.03606	1.3
149.82864	0.4
160.04547	15.0
165.05127	1.5
176.71080	0.4
180.39125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02196	0.8
53.03942	6.5
54.03470	100.0
55.01866	2.0
55.03802	1.8
55.05501	5.2
56.05013	2.5
56.62162	0.8
65.03935	1.3
66.03458	1.1
67.02978	1.6
67.05483	3.3
67.95310	0.8
68.05016	5.6
69.04534	2.5
69.07067	22.3
69.69011	1.8
69.69423	3.8
70.06596	1.4
72.93790	9.1
74.70815	0.8
77.03912	2.2
79.02943	1.1
79.05489	20.8
80.05001	2.6
81.00851	1.1
81.04539	91.5
81.07053	18.2
82.04059	1.2
82.04854	2.5
82.05314	14.6
82.06558	3.2
83.06103	5.1
83.08613	4.3
84.08115	1.0
89.03899	2.7
90.94829	2.5
91.05470	9.7
92.02624	2.7
93.04525	2.1
93.07039	25.5
93.07632	1.3
94.04073	1.1
94.06557	1.8
95.04976	11.4
95.06090	20.1
95.08601	14.3
96.05615	1.1
96.06871	2.6
97.07667	4.8
98.07162	1.6
103.05466	3.4
105.03381	3.6
105.04525	7.3
105.07024	5.3
106.06573	0.9
107.04937	7.2
107.06072	2.8
107.08588	60.6
108.05599	3.9
108.08887	2.3
109.05157	0.8
109.06479	2.6
109.07642	2.5
110.07156	2.7
113.96402	7.0
117.03366	1.9
117.06989	1.7
118.06573	1.6
119.04935	2.0
119.06040	3.1
119.08543	2.5
120.05587	3.7
120.08098	1.2
121.05173	0.9
121.06449	1.4
121.07640	4.6
121.10137	19.2
122.03481	1.0
122.07156	77.9
123.04299	2.3
123.05584	1.3
123.06682	2.0
123.07999	11.0
123.09177	3.3
124.09968	1.2
130.06508	1.2
131.04950	4.1
131.97449	8.6
133.02850	19.6
133.95279	0.9
135.03415	1.9
135.04416	31.0
135.05443	2.2
135.06616	2.1
135.08047	1.9
135.11691	8.2
136.05011	2.7
136.07738	1.2
136.08688	29.4
137.07150	0.8
137.08163	1.3
137.09088	1.3
140.08208	10.3
145.02847	1.6
145.10081	1.9
146.07108	6.1
147.06656	1.6
148.07448	1.1
154.99001	4.4
163.03897	72.0
163.06134	4.3
163.07510	3.9
163.09784	76.6
163.11055	4.5
163.12227	1.8
163.12544	2.0
163.14819	48.2
164.04288	5.4
164.07033	1.9
164.08157	3.7
164.09375	3.4
164.10475	1.7
164.11827	8.4
164.15144	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	1.0
53.00298	0.3
53.03946	7.8
55.01864	1.2
55.05511	4.1
57.07067	0.5
65.03927	0.9
67.05502	3.6
69.03442	0.8
69.07070	7.4
69.69150	2.4
75.87963	0.3
77.03914	1.7
79.05492	25.7
80.05836	0.7
81.03411	1.3
81.07055	39.7
82.01419	0.5
82.07379	0.8
83.08614	3.0
85.02895	0.5
89.03896	3.0
90.23190	0.4
91.05480	8.2
92.02612	4.0
93.07042	16.9
94.07359	0.5
95.04965	14.8
95.07995	0.7
95.08604	12.9
96.05290	0.6
96.06940	0.3
100.02486	1.4
103.05461	6.9
105.03393	5.7
105.04494	3.5
105.07032	5.2
106.06550	1.4
106.07246	0.5
107.04952	6.0
107.08591	66.9
108.08922	2.5
109.06490	1.1
109.10169	0.6
111.43683	0.4
115.05460	0.4
116.98633	0.3
117.03394	2.6
117.05758	1.0
117.07018	2.4
118.03525	1.5
118.06539	0.6
119.04928	1.2
119.06104	0.6
119.08584	2.1
120.08118	0.6
121.06483	1.5
121.10138	11.0
122.07159	0.7
123.07995	0.5
128.02332	0.3
130.06499	1.6
130.07797	0.5
131.04924	8.3
132.08080	2.1
133.02850	24.6
134.03200	1.4
135.04413	29.6
135.08046	1.7
135.11693	5.5
136.04790	1.8
136.07591	0.8
138.03098	1.3
138.75595	0.3
140.45915	0.3
145.02826	2.1
145.06474	1.4
145.10133	2.3
163.03900	100.0
163.07536	5.2
163.11166	7.7
163.12379	1.4
163.14819	18.8
164.04295	6.1
164.07019	0.8
164.15178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03943	5.1
55.01880	3.5
55.05273	0.8
55.05508	9.3
57.03422	0.9
57.07075	16.8
58.84652	0.6
59.04957	0.6
59.42456	0.6
63.02378	1.5
65.03928	1.1
67.05492	2.5
68.04993	0.7
68.99772	0.9
69.03427	5.1
69.07067	3.6
71.04976	0.7
71.52222	1.0
77.03922	1.0
79.05490	23.9
79.26646	0.6
80.05019	0.8
81.03412	0.8
81.04553	1.5
81.07055	7.5
82.05315	0.9
83.04948	0.8
83.08618	1.8
85.02914	6.3
89.03915	40.8
89.06018	10.2
91.05480	17.2
92.02608	1.2
92.05806	0.8
93.03347	0.8
93.07041	16.7
95.04971	9.4
95.06054	1.2
95.08593	3.7
97.02892	1.1
97.07655	1.5
100.02476	0.9
101.09637	1.2
103.05466	33.4
104.05775	1.5
105.03383	3.0
105.04514	2.8
105.07015	11.5
106.06532	0.8
107.04954	58.8
107.07042	1.9
107.08585	20.7
108.05322	2.1
109.06499	1.9
115.05455	5.0
117.03379	33.0
117.05740	0.7
117.07012	8.6
118.03680	1.4
119.04917	4.0
119.08575	6.6
120.05688	3.9
120.08084	0.6
121.06538	5.8
121.10145	13.8
122.07146	2.5
123.08003	1.8
127.03891	0.8
130.06558	2.5
130.07744	3.2
131.04927	31.1
132.05319	1.0
132.08078	1.6
133.02838	8.8
133.06476	2.1
135.04410	73.1
135.08031	12.6
135.11670	7.3
136.04764	4.0
136.07547	7.5
136.08649	2.5
145.02853	23.5
145.03922	1.2
145.06499	6.2
145.07559	1.5
145.10115	10.4
146.03224	1.0
148.08807	1.6
163.03896	100.0
163.07532	19.1
163.09773	4.2
163.11131	23.9
163.12115	1.1
163.14864	4.4
164.04321	6.4
164.06918	1.3
164.11632	0.9
168.14690	0.7
179.20198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02361	1.3
53.03944	7.3
54.95784	0.7
55.01861	3.3
55.05510	22.8
57.03419	0.9
57.07087	0.7
59.04997	0.9
65.03931	2.2
67.05492	3.7
69.03426	43.0
69.07061	6.5
69.80685	4.0
73.10487	0.8
77.03918	1.9
79.01847	5.1
79.05487	25.8
81.03416	1.8
81.07053	10.1
83.04969	2.1
83.08590	0.9
85.02892	0.8
89.03916	22.8
90.30859	0.8
91.05478	25.0
92.02620	1.1
93.03397	1.9
93.07043	29.2
95.04475	1.0
95.04977	12.6
95.08606	8.6
100.02458	1.1
103.04816	1.6
103.05467	25.5
105.03400	2.8
105.04512	3.6
105.07031	20.2
106.06569	1.3
107.04953	20.1
107.08585	37.0
108.05741	2.4
108.08921	1.2
109.06486	9.5
115.05441	4.8
117.03370	15.7
117.07008	10.9
118.03533	1.2
119.04928	2.2
119.08583	10.2
120.09336	2.0
121.06499	100.0
121.10131	16.5
122.06798	2.4
123.08061	14.5
129.07027	2.3
130.06448	1.1
130.07816	5.2
131.04924	22.9
132.08098	2.1
133.02853	7.6
133.06543	3.9
133.07512	1.0
135.04416	37.8
135.08051	18.9
135.11679	9.3
136.04747	1.5
143.08493	1.3
145.02847	9.5
145.03920	1.3
145.06470	2.2
145.10095	11.2
147.08009	1.5
148.08823	4.7
163.03902	62.7
163.07558	14.2
163.11165	89.1
163.14803	10.3
164.04295	3.4
164.06932	1.3
164.11519	3.1
181.04962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02367	1.5
53.03946	7.8
55.01869	7.4
55.05503	5.7
57.03421	0.8
57.07061	1.0
59.12381	0.7
63.02366	0.9
65.03935	2.4
67.05499	5.7
69.03420	6.5
69.07079	4.0
69.07386	0.7
70.96342	1.7
70.96665	0.9
77.03911	1.5
79.05489	37.6
80.05015	0.8
80.05816	1.5
81.03391	2.2
81.04546	1.1
81.07050	27.1
82.05268	0.8
83.04966	1.5
83.08622	1.3
85.02898	1.4
89.03913	32.3
91.05475	26.6
92.02625	2.2
93.03371	0.9
93.07039	45.4
95.04961	15.5
95.06057	1.8
95.08593	3.5
97.02845	0.8
103.05460	21.1
105.03413	3.6
105.04511	5.2
105.06308	1.4
105.07024	25.0
106.06549	1.6
107.04948	26.8
107.06068	1.6
107.08586	56.5
108.05563	1.2
108.08891	1.4
109.06513	8.1
109.07618	0.7
115.05460	5.1
117.03380	24.0
117.07008	12.3
118.03689	1.1
119.04922	2.5
119.06080	1.4
119.08579	18.6
120.05660	1.7
120.08144	1.1
121.02853	1.1
121.06479	5.5
121.09243	1.7
121.10131	35.6
122.07137	2.4
122.10446	0.9
123.07978	2.4
127.07556	5.9
128.06157	0.9
129.07001	1.7
130.06529	2.9
130.07756	6.8
131.04927	19.5
132.05252	1.0
132.08089	3.2
133.02838	13.8
133.06476	1.9
134.03249	0.8
135.04410	64.7
135.08037	17.5
135.11682	35.9
135.12738	1.5
135.35275	0.7
136.04765	3.4
136.07538	2.9
136.08633	2.3
138.03131	1.2
143.08533	1.7
145.01778	1.5
145.02846	17.3
145.03912	1.5
145.06485	10.0
145.10109	37.2
146.07083	1.1
146.10463	1.4
148.05035	0.8
148.08827	1.9
155.05986	1.7
163.03893	100.0
163.07541	18.0
163.09808	4.6
163.11150	61.6
163.14795	4.5
164.04337	6.2
164.06947	1.4
164.11496	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02385	0.6
53.03949	2.2
55.01864	1.1
55.05506	1.5
57.07080	0.4
60.94131	0.4
61.94647	0.4
63.02354	0.8
63.44313	0.3
65.03938	0.6
67.05506	1.0
68.99788	0.7
69.03410	1.1
69.07059	1.9
69.39396	1.6
69.39828	1.4
77.03912	1.2
79.05487	11.2
81.02499	0.3
81.07056	2.8
89.03914	31.9
90.04237	1.0
91.05475	5.4
93.07034	5.6
95.04964	4.3
95.06099	0.5
95.08597	1.5
100.02434	0.4
103.05461	79.6
104.05809	2.3
105.03385	1.0
105.04526	1.2
105.07029	3.1
107.04947	12.4
107.08590	10.2
109.06504	0.8
114.67830	0.4
115.05438	1.1
115.41282	0.3
117.03374	24.8
117.05751	0.7
117.06992	2.2
118.03681	1.0
119.04919	0.7
119.08572	1.6
120.05702	0.6
121.06480	1.8
121.10147	5.9
122.07119	0.6
123.07987	0.6
130.06508	0.8
130.07770	0.8
131.04919	100.0
132.05241	3.7
132.08064	1.1
133.02835	3.2
133.06535	0.4
135.04405	46.9
135.07993	2.6
135.11684	2.5
136.04747	2.1
136.08643	0.8
145.02847	16.5
145.03886	0.8
145.06482	1.3
145.10127	3.2
146.03189	1.3
148.05206	0.8
148.08760	0.9
163.03894	53.1
163.07536	44.6
163.09787	1.3
163.11147	11.5
163.12260	0.6
163.14795	3.3
164.04274	2.3
164.07957	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	0.7
55.05514	1.6
57.07081	0.6
62.01588	0.8
63.02369	1.7
65.03945	0.8
67.05516	0.7
69.07070	4.5
69.70030	1.6
69.70444	2.5
77.03927	1.2
79.05489	15.0
81.07059	2.7
83.08624	2.4
89.03915	67.2
90.04256	1.9
91.05487	4.4
93.07040	6.4
95.04958	4.3
95.08598	1.6
101.48388	0.6
103.05457	3.6
105.07031	4.3
107.04949	15.2
107.05639	1.0
107.08590	16.4
111.38244	0.7
117.03373	56.7
117.07029	1.8
118.03694	1.7
119.08608	1.9
121.09245	0.8
121.10130	16.1
124.24428	0.7
130.06577	0.6
131.04913	4.0
133.02797	1.3
135.04410	100.0
135.07988	1.5
135.11682	5.5
136.04742	3.6
145.02844	41.3
145.03900	2.1
145.10092	1.7
146.03148	1.5
158.05989	1.5
163.03897	87.9
163.07454	3.1
163.11182	4.7
163.14821	5.2
164.04295	3.1
170.07184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02370	0.5
53.03941	2.3
63.02366	2.4
70.76978	1.2
77.03937	1.2
79.05489	10.8
85.02893	0.6
89.03914	76.6
90.04247	1.8
91.05497	1.2
93.07030	0.7
95.04964	4.2
103.05463	2.7
105.03402	0.6
105.04512	0.8
105.07078	0.5
107.04952	15.6
107.06049	0.7
107.08581	1.2
110.98042	0.4
117.03374	59.5
118.03693	1.4
119.08665	0.4
121.10155	0.5
122.07162	0.9
123.08009	0.5
131.04918	2.5
133.02814	0.6
135.04407	100.0
136.04759	3.0
136.08661	0.6
145.02841	43.4
145.03835	2.0
145.10013	0.7
146.03181	1.6
163.03896	85.6
163.07552	1.4
163.09793	1.2
163.11145	1.4
164.04250	3.1
177.78683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01878	0.8
55.05505	1.1
57.07079	0.4
63.02383	1.8
65.03947	0.5
69.03430	1.2
69.07072	2.4
69.81669	2.5
77.03927	0.8
79.05493	14.8
79.88375	0.4
81.03392	0.7
81.07060	3.1
83.08633	0.8
84.30872	0.5
85.02905	0.9
89.03915	75.2
90.04240	2.2
91.05480	4.2
92.02619	0.6
93.07037	5.7
95.04967	5.7
95.08615	2.0
103.05466	8.3
105.03410	0.6
105.04505	1.3
105.07027	2.8
107.04960	17.3
107.08591	10.1
109.06525	0.5
110.67168	0.3
115.05470	1.3
117.03378	58.1
117.07023	1.9
118.03710	1.8
118.06464	0.5
119.04922	0.9
119.08598	1.6
121.02843	0.6
121.06490	1.8
121.10139	4.8
130.06512	0.5
130.07774	1.0
131.04927	7.8
132.08098	0.6
133.02859	2.0
133.06497	0.6
135.04410	100.0
135.07924	2.2
135.11687	2.5
136.04684	2.9
145.02850	39.1
145.03906	2.1
145.06497	1.2
145.10104	2.7
146.03174	1.1
147.08014	0.5
148.08823	1.5
158.05981	1.0
163.03897	85.2
163.07532	6.7
163.09879	0.9
163.11151	14.9
163.14809	4.1
164.04272	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03944	2.9
55.01858	0.7
55.05511	1.7
63.02372	2.2
65.03948	0.7
65.61835	0.4
67.05489	1.2
67.72737	0.5
69.03436	0.6
69.07062	4.0
69.49479	2.0
69.49915	2.0
70.21188	0.4
79.05489	15.5
81.03403	0.6
81.07050	5.5
83.08607	1.5
89.03913	68.5
90.04244	1.6
90.71394	0.5
91.05485	5.9
93.07037	10.6
95.04960	5.0
95.08611	4.8
98.20840	1.1
103.04805	1.0
103.05465	15.0
104.05816	0.6
105.03392	1.0
105.04520	1.0
105.07019	3.7
107.04949	19.7
107.08588	20.2
109.06527	1.1
115.05453	0.6
117.03371	54.2
117.07020	2.2
118.03725	1.7
119.04912	1.0
119.08562	1.9
121.06509	1.4
121.10128	7.3
122.07100	0.6
130.06567	0.7
130.07770	1.1
131.04922	15.5
133.02856	2.3
133.06587	0.6
135.04407	100.0
135.07965	2.8
135.11639	4.3
136.04758	2.6
145.02837	40.2
145.06482	1.5
145.10117	4.5
146.03178	1.4
148.05197	1.0
148.08833	0.9
158.06036	0.6
163.03893	88.7
163.07515	8.6
163.09839	0.8
163.11156	11.0
163.12477	0.5
163.14816	10.8
164.04256	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	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57277	0.5
53.03943	2.5
55.01872	0.8
55.28311	0.4
57.03401	0.5
63.02382	1.9
67.05476	0.5
68.99782	1.2
69.03427	1.1
70.56776	1.3
77.03919	0.8
79.05492	13.3
81.04543	0.9
81.07070	0.9
85.02892	2.0
89.03916	74.3
90.04247	1.5
91.05492	2.1
93.07045	1.6
95.04962	4.8
95.06096	0.7
95.08617	0.9
96.17110	0.4
103.05478	5.3
105.03387	0.8
105.04498	1.0
105.07024	1.3
107.04958	17.1
107.06067	0.8
107.08615	2.4
108.05517	0.5
115.05502	0.7
117.03379	54.7
117.07006	1.6
118.03675	2.6
119.08558	0.5
121.06492	1.0
121.10129	1.1
122.07159	1.4
123.07918	0.5
130.06526	1.2
131.04930	5.7
132.08069	0.6
133.02847	2.0
135.04411	100.0
135.08040	1.7
135.11632	0.7
136.04779	2.7
136.07645	0.5
136.08684	1.1
136.35417	0.4
145.02850	35.5
145.03902	1.8
145.06505	1.2
145.10127	0.8
146.03181	1.5
146.07080	0.6
163.03900	78.5
163.07495	3.4
163.09785	2.6
163.11179	2.3
164.04286	3.0
164.07028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02370	0.6
53.03935	1.2
55.01857	1.1
55.05509	10.7
60.90534	0.4
61.58313	0.4
65.03940	1.0
67.05502	5.7
68.89831	0.4
69.03422	0.8
69.07069	10.7
70.84854	0.4
73.99203	0.4
77.03933	0.9
79.05489	10.8
80.05027	0.4
80.10823	0.4
81.07053	14.6
83.08612	0.5
89.24234	0.4
90.04702	0.7
91.05477	24.7
92.05807	0.6
93.04495	0.8
93.07040	12.3
95.04963	1.8
95.08618	2.9
103.05463	6.4
104.06245	1.1
105.03399	1.5
105.07027	97.3
106.06638	0.7
106.07291	2.8
107.08582	5.3
115.05442	7.7
116.07079	0.5
117.07025	7.8
118.04160	6.2
118.07833	0.5
119.08578	100.0
120.08809	2.9
121.06420	1.5
121.10149	2.2
128.06256	2.0
129.07082	0.4
130.07765	0.8
131.04918	1.8
131.08569	8.8
132.05675	0.7
132.09338	1.5
133.02858	1.2
133.06497	10.9
133.10124	50.9
134.05989	0.8
134.07056	1.2
134.10483	2.1
143.04927	0.9
143.06030	0.8
143.08542	3.6
144.09358	0.8
145.10146	1.3
146.03625	3.8
146.07245	3.2
146.10907	3.6
159.11691	3.2
161.05980	26.7
161.08186	1.4
161.09607	16.9
161.13251	75.3
162.03644	0.6
162.05301	0.7
162.06453	1.0
162.10056	0.7
162.13580	3.4
168.67308	0.4
171.05588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00136	0.3
52.54211	0.3
53.03951	0.8
55.01873	0.8
55.05509	5.7
56.05856	0.4
59.99464	0.4
67.05499	1.3
69.03433	0.6
69.07070	3.5
71.52033	0.7
74.10810	0.4
79.05502	4.2
81.07055	2.3
85.94009	0.3
91.05478	11.0
93.07048	2.4
95.04967	1.2
102.05531	0.3
103.05473	3.7
104.06232	0.6
105.03393	0.9
105.07030	32.9
106.07333	0.8
107.08610	1.8
115.05451	4.3
117.07027	4.2
118.04149	3.2
118.07851	0.5
119.08577	100.0
120.05611	0.6
120.08892	2.9
121.06438	1.7
121.10145	2.7
128.06238	1.1
131.04932	1.3
131.08578	3.1
133.02827	0.4
133.06490	7.8
133.10126	22.4
133.63837	0.3
134.06041	0.8
134.07097	1.0
134.10461	0.6
143.03366	0.4
143.04866	0.4
143.08540	1.7
144.08136	0.4
145.10167	0.4
146.03548	2.1
146.07253	1.2
146.10852	0.9
159.11765	0.8
161.05983	15.8
161.08188	1.2
161.09598	8.8
161.13254	23.6
162.05418	1.1
162.10124	0.4
162.13609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.27319	0.2
55.05503	1.0
65.03945	0.5
67.05498	0.7
69.07065	1.9
70.76749	0.3
71.40469	0.5
79.05489	2.5
81.07056	2.1
91.05478	8.8
92.05875	0.3
93.07035	1.7
95.04965	0.6
99.78557	0.3
102.07285	0.3
103.05467	2.2
104.06223	0.5
105.07029	54.9
106.07354	1.3
107.08612	1.0
113.02351	0.4
115.05484	1.3
117.07038	3.1
118.04151	0.7
119.08578	100.0
120.08884	3.1
121.10149	0.7
128.06195	0.5
131.08562	2.1
132.09322	0.4
133.06485	1.8
133.10129	17.6
134.10559	0.6
143.08571	0.5
145.10086	0.7
146.03603	1.6
146.07256	0.8
146.10892	0.9
159.11711	1.0
161.05981	2.0
161.09624	3.3
161.13252	26.4
162.05420	0.4
162.13605	0.9
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
51.02374	0.5
53.03943	0.8
54.93671	0.4
55.05506	4.9
67.05499	1.6
69.07061	6.4
71.51434	0.9
79.05488	4.0
81.07053	5.3
81.83554	0.4
83.08615	0.6
86.25984	0.4
91.05475	12.5
92.05821	0.7
93.07044	3.5
93.30868	0.4
95.04977	1.0
95.08614	0.7
103.05466	1.9
104.06337	0.4
105.07024	77.4
106.07331	2.3
107.08595	1.5
115.05460	1.4
117.06994	3.7
118.04143	0.9
119.08572	100.0
120.08096	0.7
120.08877	3.6
121.10143	1.5
128.06189	0.6
131.08569	4.2
132.09305	0.6
133.06505	2.9
133.10117	27.0
143.08533	0.9
144.09323	0.4
145.10094	1.4
146.03612	0.9
146.10895	2.8
155.18402	0.4
159.11671	3.9
161.05937	3.8
161.09634	3.6
161.13245	73.7
162.05457	0.8
162.13602	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02371	0.5
53.03941	1.8
55.01866	1.9
55.05239	0.5
55.05508	9.0
58.06578	0.6
63.90848	0.4
65.03915	0.8
67.05501	4.4
69.03438	0.8
69.07063	8.6
71.50599	0.6
71.50996	0.4
73.02903	0.4
75.77196	0.5
77.03916	0.9
79.05489	13.2
81.07050	13.2
81.07529	0.6
82.07394	0.5
83.08613	0.7
85.02910	0.6
89.03893	1.0
91.05476	28.3
91.46310	0.4
93.04533	0.6
93.07034	12.2
95.04964	1.9
95.08582	2.2
97.02872	0.6
101.28358	0.5
102.04668	0.8
102.05553	0.4
103.05455	5.9
104.06264	0.7
105.03402	1.7
105.07023	100.0
106.06622	0.8
106.07346	3.3
107.04937	1.0
107.06097	0.4
107.08576	5.6
113.02349	0.5
115.05451	15.0
116.04966	1.8
116.05739	0.8
117.07019	8.3
118.04150	3.7
118.06544	6.5
118.07816	0.9
119.04962	2.1
119.08572	82.7
120.05618	0.6
120.08815	2.2
121.06400	2.9
121.10142	3.3
123.84461	0.4
128.06209	1.4
130.04128	0.7
130.07733	0.6
131.04907	1.7
131.08546	7.5
132.05684	0.6
132.09314	1.6
133.02824	1.3
133.06485	43.5
133.10118	46.7
134.03624	0.9
134.05984	1.2
134.06976	2.4
134.10426	1.7
143.03502	0.4
143.03854	0.6
143.04906	3.9
143.06010	0.9
143.08571	2.2
144.04428	1.2
144.08037	1.5
144.09190	0.5
145.06416	0.5
145.10104	1.6
146.03586	3.7
146.07228	2.2
146.10921	3.2
147.04428	2.6
153.15149	0.5
159.11679	3.5
161.05971	72.1
161.08151	2.3
161.09587	12.8
161.13242	63.2
162.05476	3.5
162.06445	2.4
162.10074	0.6
162.13629	2.5
171.05530	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	161.0597
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.09311	0.5
50.94040	0.5
55.01869	1.6
58.54169	0.4
69.35149	5.2
79.05487	3.7
91.05470	5.2
103.05476	3.2
105.03367	0.8
105.07026	35.6
106.07358	1.0
109.46615	0.6
115.05447	26.7
118.06522	0.7
119.04951	2.2
119.08565	2.6
121.06403	0.7
131.04857	0.6
132.05702	0.8
133.06485	81.8
133.10086	2.0
134.06828	2.8
137.32001	0.5
143.04904	1.5
143.05965	0.7
144.05716	0.5
144.08051	0.9
146.07265	0.7
147.04372	0.6
159.73447	0.5
160.05142	0.6
161.05972	100.0
161.09607	1.7
161.13252	2.1
162.06433	2.5
171.05524	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02378	0.2
53.03936	0.2
55.01884	0.2
55.05505	1.0
57.59191	0.1
65.03938	0.1
67.05492	0.7
69.03426	0.1
69.07067	0.8
69.67156	0.1
70.66902	0.5
79.05497	1.6
81.07057	2.0
91.05477	7.0
92.05797	0.2
93.07043	1.4
95.04963	0.3
95.08595	0.3
98.21204	0.2
103.05458	0.9
104.06236	0.4
105.07027	28.4
106.07335	0.6
107.08609	0.4
115.05441	0.7
117.07015	1.8
119.08575	100.0
120.08900	3.2
121.06532	0.2
121.10150	0.3
128.06189	0.2
131.08533	0.8
132.09325	0.1
133.06499	0.7
133.10124	5.6
134.10478	0.2
143.08597	0.2
145.10118	0.2
146.03639	0.3
146.07253	0.2
146.10898	0.3
159.11743	0.6
161.05992	1.0
161.09622	1.7
161.13254	14.1
162.05449	0.2
162.13634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03952	0.6
53.14485	0.4
54.21368	0.4
55.01868	1.7
58.02996	0.4
65.99438	0.4
69.58401	3.2
79.00455	0.4
79.05486	5.0
89.69548	0.5
91.05482	5.2
103.05457	3.7
105.07027	49.4
106.07343	1.7
107.04992	0.8
115.05451	42.1
116.05774	1.3
118.04137	0.5
118.06530	0.5
118.10238	0.4
118.43974	0.4
119.04952	2.5
119.08575	1.3
131.04915	0.9
133.06487	93.4
133.10124	1.1
134.06827	2.9
141.45810	0.5
141.47119	0.4
143.04921	2.1
147.04420	0.8
160.05209	1.2
161.05974	100.0
161.13275	0.8
162.06387	2.7
171.05534	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03948	2.4
55.01870	4.2
55.05502	0.4
56.05052	0.3
57.06984	0.3
58.94596	0.3
59.38362	0.3
64.21708	0.3
65.03934	0.4
66.04725	1.7
69.03430	0.5
69.07081	0.4
70.86228	0.3
70.86562	0.7
77.03913	0.8
77.85845	0.3
79.05490	19.2
85.02929	0.4
89.03896	1.6
90.04709	3.2
91.05479	5.8
92.02617	0.7
93.07036	0.4
94.04182	0.4
95.04978	4.1
97.02931	0.4
97.19835	0.3
102.04681	0.9
103.05463	24.9
104.05746	0.4
105.03398	1.0
105.04505	1.2
105.07026	100.0
106.06596	0.8
106.07362	3.1
107.04945	1.3
107.06051	0.3
115.05453	29.9
116.05777	0.9
117.05782	0.4
117.07030	2.7
118.04156	19.9
118.06493	0.9
119.04488	0.3
119.08590	3.7
120.05633	0.6
120.08134	0.5
121.06382	1.0
128.06177	0.4
131.04935	5.0
131.08548	0.3
132.05719	1.7
133.06485	51.1
133.10083	3.0
134.05965	1.4
134.06888	2.2
143.04912	1.1
143.06041	4.6
143.07231	0.8
143.08459	0.7
143.73723	0.3
144.08081	41.8
145.06403	0.4
145.08430	0.9
146.03648	1.6
146.07280	1.0
161.05977	15.5
161.08076	2.2
161.09610	4.3
161.13255	2.7
162.05345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71971	0.1
56.00661	0.1
56.56023	0.1
56.96553	0.1
57.80376	0.1
59.20006	0.1
59.44845	0.1
60.00645	0.1
69.93443	0.3
69.93861	0.4
74.28362	0.1
82.99826	1.1
83.99924	0.1
86.79259	0.1
94.72219	0.1
98.97569	0.2
100.02487	0.4
101.00877	17.9
102.00941	1.6
103.00653	0.3
105.07034	0.3
105.27577	0.1
110.52819	0.1
116.98573	0.2
118.03541	0.4
119.01917	100.0
120.02000	7.9
120.97885	0.2
121.01653	1.0
121.02379	0.3
124.02431	0.5
125.02579	0.2
133.10059	0.1
133.98059	0.2
136.04547	0.1
136.48306	0.2
137.02951	38.7
138.03040	2.9
138.98865	0.1
139.02702	0.3
142.03497	3.4
143.01918	0.2
143.03650	2.8
144.03212	1.0
145.48853	0.7
155.87378	0.1
157.03470	0.3
160.04590	0.9
161.02951	3.2
161.04649	2.7
161.09621	0.1
162.03084	0.3
162.04335	0.8
173.53923	0.1
175.04543	0.1
179.04002	5.9
179.05643	0.9
180.04042	0.2
180.05440	0.2
184.04597	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31339	0.4
56.63453	0.3
56.96545	0.7
58.99856	0.4
59.20919	0.3
64.79616	0.4
66.93126	0.4
69.69526	2.5
72.08164	0.7
73.02908	0.5
76.15046	0.3
82.99847	1.1
84.08130	0.8
89.77170	0.4
98.21456	0.5
98.97591	0.7
100.02474	1.1
101.00878	16.3
101.52460	0.5
102.00973	1.1
102.51444	0.4
103.00630	1.4
105.00299	0.4
108.85529	0.4
109.52197	0.6
110.54318	0.4
116.51149	0.8
116.98638	0.6
119.01917	100.0
119.98801	0.8
120.01999	7.2
121.01653	2.3
123.51922	0.7
124.01132	1.0
126.00880	0.8
133.01620	2.4
133.03485	0.8
134.01567	0.6
134.99818	0.4
137.02954	44.0
137.51659	1.3
137.99802	0.8
138.03050	2.9
139.02606	1.0
142.03491	4.2
143.01898	1.7
143.03662	1.8
144.03197	0.9
144.52448	0.6
145.02544	0.6
146.52188	1.1
147.01347	0.7
156.97456	0.5
157.03465	1.4
160.04550	1.5
160.67206	0.4
161.01564	1.1
161.02968	8.5
161.04636	1.3
161.05930	0.5
162.03139	0.6
162.04359	0.5
162.71849	0.4
163.42491	0.4
174.98584	0.6
177.00941	1.1
177.70546	0.4
179.02547	0.8
179.03992	6.3
179.05605	0.6
179.99086	0.7
184.04616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	2721-59-7
Peak:m/z	Relative Intensity
55.01870	0.3
65.03963	0.2
67.04250	1.9
69.82793	0.4
69.83198	0.9
79.05481	0.4
91.05463	0.9
94.04160	0.4
98.21452	0.3
103.05445	0.5
105.07032	5.7
107.04939	0.4
115.05451	19.2
115.65431	0.2
116.04968	0.4
116.05753	0.4
117.05762	10.2
117.07056	0.5
118.06526	0.6
119.01887	0.2
119.08926	0.2
130.06482	1.1
131.04916	0.8
131.07303	0.8
132.08090	20.6
133.05249	1.1
133.06482	4.2
133.08452	0.5
134.06010	0.2
140.05002	0.2
141.05692	0.3
142.06537	4.0
143.04942	0.2
143.07292	2.9
144.04463	0.4
145.05244	0.3
146.06029	0.3
150.05495	0.2
159.06783	4.1
160.07573	100.0
161.07932	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	160.0757
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
53.03964	0.1
55.01869	0.3
55.05492	0.2
56.96563	0.3
57.03433	0.2
59.05008	0.1
60.08148	0.2
63.15847	0.1
65.03931	0.2
67.04241	1.8
69.03422	0.3
69.45164	0.8
71.04974	0.1
73.02901	0.2
77.03932	0.1
79.05490	0.5
81.03446	0.1
81.77621	0.1
82.06599	0.3
84.36652	0.1
85.02902	0.3
87.04457	0.3
88.02676	0.2
91.05492	0.9
94.03646	0.2
94.04195	0.4
96.08131	0.3
97.02888	0.4
98.97571	0.2
99.04463	0.1
100.07620	0.6
101.00881	0.6
101.06010	0.5
103.05459	0.5
104.04976	0.2
105.07031	4.4
106.07375	0.2
107.04943	0.4
114.09196	0.2
115.05453	16.7
116.04858	0.5
116.05808	0.5
117.05761	9.5
117.06970	0.7
118.06534	0.5
119.01928	1.8
130.06526	1.3
131.01874	0.2
131.04944	0.7
131.07314	0.8
132.08090	18.8
133.03487	0.3
133.05238	0.9
133.06485	4.1
133.08406	0.5
134.06007	0.3
137.02965	0.4
140.04878	0.2
141.05724	0.2
142.03485	0.3
142.06528	3.5
143.01874	0.3
143.06145	0.1
143.07314	2.2
144.04416	0.3
144.05580	0.2
145.05200	0.4
146.05991	0.6
147.05067	0.2
155.45810	0.1
157.03423	0.2
159.06801	4.0
160.07576	100.0
161.02974	0.3
161.05920	0.2
161.07930	3.7
175.04539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70384	0.3
56.96556	0.5
58.58032	0.3
65.56409	0.3
69.86998	1.6
71.10921	0.3
82.01454	0.4
82.99815	1.7
86.47589	0.3
98.97569	0.6
99.97892	0.4
100.02473	1.9
100.97177	0.3
101.00876	21.7
102.00954	0.4
116.98602	0.6
117.98984	0.3
118.03518	4.0
118.96786	0.6
119.01915	100.0
120.02023	1.8
120.03262	0.4
121.01616	0.4
121.02383	0.6
124.02443	2.2
134.99702	0.3
136.02736	0.9
136.04536	3.5
136.48367	0.4
137.02951	35.8
138.03043	0.5
140.25340	0.3
142.03491	29.5
143.03670	1.6
145.48882	0.9
154.59100	0.3
160.04555	26.2
161.02983	2.6
161.04817	1.4
165.05109	1.1
178.05605	7.1
179.03983	4.0
179.05405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.24091	0.4
56.96576	0.4
64.39619	0.4
67.05495	2.6
70.06609	0.7
71.50937	0.5
71.51315	0.7
76.93352	1.7
79.05480	1.0
81.07041	0.8
91.05475	9.8
95.04982	0.8
98.97581	1.4
103.05455	1.6
105.07029	22.8
106.07392	0.5
111.85020	0.4
113.02358	0.4
115.05460	3.5
116.06249	2.4
116.98628	0.9
117.07013	28.9
117.95985	1.5
118.06586	0.6
118.07341	0.7
119.08576	7.0
128.06227	1.6
128.88901	0.4
129.07007	15.3
130.07813	7.1
131.04919	1.8
131.08565	40.0
132.08896	1.3
135.96970	0.8
141.01807	2.4
141.06961	0.8
142.07770	1.6
143.08557	2.0
144.05717	0.8
144.09343	26.6
145.09686	0.8
157.10156	4.3
158.10498	0.7
159.04413	1.1
159.08095	6.7
159.11685	100.0
160.07545	1.7
160.12042	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	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
50.50907	0.7
55.01848	1.4
55.05487	1.3
56.04806	1.2
56.05032	13.2
56.96564	11.7
57.03433	2.0
58.02934	2.2
58.06574	2.9
59.06123	10.7
59.93107	4.4
60.04520	4.4
60.81055	0.8
60.98709	0.8
63.06715	0.8
65.43529	0.7
67.05476	2.4
67.47187	0.8
68.05001	2.9
69.03419	1.7
69.04531	1.9
69.07043	1.1
70.06582	5.1
71.01323	1.6
71.04984	1.6
71.06082	3.5
71.49731	1.2
71.50098	1.1
71.95242	2.3
72.04517	5.2
72.08155	1.5
73.95670	1.6
74.06051	1.8
75.04465	1.4
75.05573	1.8
76.04031	4.7
76.93357	7.0
81.03413	1.6
81.04504	1.4
81.07031	2.1
83.01340	1.0
83.03241	0.9
83.06067	2.7
84.04514	7.8
85.02914	5.0
85.03970	1.6
85.07635	3.5
86.02390	2.1
86.06042	3.2
87.05582	1.6
91.05478	4.9
94.94371	2.6
95.04932	2.7
95.06079	5.8
95.08567	1.3
95.95155	1.1
96.04446	3.6
97.06534	0.9
97.07629	1.3
98.06052	1.3
98.97581	22.5
99.04454	2.2
99.05571	6.6
99.06125	1.3
99.97907	1.4
100.03940	4.5
101.02357	1.6
101.07101	2.2
102.05517	4.7
103.04914	0.9
103.05455	10.4
105.04459	1.0
105.07016	5.0
111.05521	2.5
113.02380	6.5
113.07125	7.5
114.05519	4.2
115.05457	32.3
116.04907	1.5
116.06303	1.4
116.97282	1.3
116.98615	23.3
117.01807	1.5
117.05780	20.6
117.06584	3.9
117.07022	3.1
117.95981	4.2
117.98925	1.4
118.06529	6.7
118.96747	11.9
119.01915	1.4
119.08544	0.8
129.06960	2.1
130.06517	25.3
130.07520	1.6
131.04924	15.2
131.06845	2.9
131.08563	10.7
132.08084	100.0
133.08392	2.5
134.98682	1.7
134.99651	28.3
135.96976	4.9
135.99956	1.3
139.47064	1.0
140.00092	1.0
140.04889	1.7
141.00769	1.3
141.01822	18.9
141.05571	1.2
141.06528	5.7
142.06506	47.1
142.83345	0.8
143.07147	1.5
144.05652	1.6
144.09282	3.1
150.95715	1.8
153.00702	5.8
153.96669	2.6
154.96413	4.3
158.01212	2.0
158.08339	2.7
159.02922	1.7
159.04335	4.5
159.06487	2.3
159.07718	12.9
159.09129	85.7
159.11533	11.8
160.04314	1.6
160.07550	25.3
160.09001	1.4
160.09549	2.1
160.10767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01861	1.4
55.05501	0.9
55.78771	0.3
56.05021	0.5
56.96563	7.8
57.03431	2.1
57.07071	0.4
58.18443	0.2
58.99870	0.4
59.04986	0.7
61.02915	0.7
67.01845	0.3
67.05502	0.6
68.05029	1.4
68.99785	1.0
69.03425	2.7
69.07082	0.4
70.06590	100.0
70.98098	0.4
71.01363	2.3
71.04992	1.9
71.06915	2.0
71.50044	0.3
71.50460	0.4
71.95258	0.6
72.04488	0.3
73.02927	1.5
73.06544	0.3
74.02438	0.5
75.04464	0.8
76.27175	0.3
76.93369	0.3
77.00859	0.8
79.05492	0.6
81.03419	1.1
81.07072	0.3
82.06574	0.5
83.05006	0.4
84.04515	0.5
85.02894	3.1
85.94928	0.2
86.06069	3.3
87.04462	0.6
87.09220	0.3
88.02686	0.4
88.07641	0.4
89.00825	0.5
91.05481	1.5
95.01344	0.4
95.01935	0.4
95.04980	0.4
95.06100	0.7
95.08592	0.4
96.03339	0.3
96.04496	1.6
96.08163	0.5
97.02875	2.4
97.06512	0.3
97.07648	1.1
97.99166	0.3
98.01264	0.5
98.06052	0.3
98.97586	4.8
99.00839	0.8
99.04446	1.9
99.05565	0.3
100.02535	0.3
100.07625	1.2
101.00858	2.7
101.02402	0.4
103.02390	0.6
103.03257	0.3
103.03933	0.4
103.05462	4.0
105.07040	0.8
106.00959	0.3
109.02886	0.4
111.02930	0.3
111.04440	0.4
111.05585	0.5
112.07559	0.5
113.02384	1.9
113.07124	51.0
114.03803	0.4
114.05523	13.2
114.07442	0.6
114.09138	0.7
115.02425	0.7
115.04009	0.3
115.05434	1.3
115.08691	5.7
116.00183	0.2
116.07092	1.9
116.97318	0.3
116.98615	6.4
117.01936	0.5
117.05766	0.7
117.07023	1.1
117.98965	0.3
118.01134	0.4
118.03580	0.9
118.06570	0.4
118.96793	0.5
119.01917	14.4
119.08521	0.2
120.02013	1.2
120.03306	0.6
120.33784	0.3
121.01649	1.2
121.03516	0.3
123.02966	0.4
123.05546	0.5
124.02477	0.4
127.00272	6.0
127.03918	0.4
128.02296	0.4
129.07033	0.5
131.01912	1.6
131.04909	3.7
131.08546	1.5
132.00754	0.4
132.08066	1.8
133.01677	0.6
133.03441	1.4
133.06505	0.3
134.99648	6.2
135.03207	0.7
136.02689	0.4
136.04549	0.3
137.02956	4.7
139.02669	0.6
141.01828	6.0
141.05550	0.4
141.06616	1.1
142.03523	2.5
142.04979	0.9
143.01913	1.0
144.00679	0.4
144.01907	0.3
144.09378	0.6
145.01424	0.5
145.03439	1.5
146.99590	0.5
147.01324	0.4
147.04906	0.3
148.03877	0.8
149.01289	0.3
149.02948	0.7
149.06583	0.4
151.02788	0.8
151.04501	0.4
153.00729	1.0
155.01863	0.5
157.03438	0.7
158.01292	0.7
158.99802	0.3
159.02925	1.8
159.04439	1.8
159.07672	14.6
159.09044	0.6
159.09984	0.9
159.11674	3.2
159.15753	0.3
160.04587	1.7
160.07571	10.0
160.09712	0.7
161.02930	1.4
163.04552	0.4
173.02983	0.8
175.04538	0.7
177.00764	0.5
177.02417	0.3
178.05608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0648
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
51.02372	0.3
55.01870	0.8
55.05504	0.8
56.05040	0.4
57.03424	0.5
57.07081	0.4
57.34390	0.2
57.93556	0.6
58.06585	0.4
59.06115	0.7
59.73974	0.2
62.48106	0.2
67.05508	0.7
68.79694	0.2
69.03413	0.8
69.07067	2.6
70.02910	0.3
70.06590	1.1
70.95859	0.7
71.04988	0.7
71.06120	0.2
71.50638	0.5
71.64527	0.2
71.95883	0.3
72.08141	0.3
72.93781	0.9
73.93828	0.6
74.93833	4.5
77.99752	0.2
79.05500	0.4
81.03412	0.4
81.07063	0.6
83.04964	1.3
83.06109	0.4
83.08624	0.4
84.04514	0.6
84.85996	0.3
85.02916	0.3
86.09710	0.3
87.05591	0.9
88.96884	0.4
89.03921	0.6
90.94800	0.5
91.05511	0.4
92.94862	1.3
93.03419	0.3
93.07047	1.4
94.06556	0.5
95.04945	0.8
95.08582	0.6
95.51543	0.2
96.04467	0.5
97.02900	1.0
97.06535	1.3
97.10182	0.4
98.06042	0.5
98.07185	0.3
98.97596	0.5
99.05580	0.6
100.07648	0.4
102.09179	0.5
103.05463	2.7
105.07007	0.3
111.04467	0.7
111.05550	1.0
111.08049	1.0
112.07600	0.9
112.08703	0.3
112.98611	0.3
114.10265	0.4
115.05466	0.9
115.96432	3.9
116.08253	0.4
116.97246	2.0
116.98573	0.7
117.03382	0.3
121.10172	0.4
122.05982	0.6
127.05437	0.7
128.06219	47.8
129.07001	100.0
130.06497	0.9
130.07347	3.7
133.97470	2.9
134.99609	0.6
139.03899	0.6
139.07515	0.4
139.11169	0.3
140.07097	0.6
140.08067	0.6
141.07008	1.2
142.07771	7.2
143.07437	0.4
143.08557	2.7
145.06487	5.4
147.08073	0.5
150.96883	1.1
151.97032	1.6
152.96944	0.7
155.06041	5.5
156.99101	0.3
157.01315	1.0
157.06480	35.4
157.07561	1.5
157.10056	5.1
158.05777	0.4
158.06824	1.4
158.08116	0.4
158.09628	4.2
158.10881	0.7
158.15373	0.5
169.07539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1019
Annotation	Scopoline
Peak:m/z	Relative Intensity
55.01869	2.1
55.05513	8.4
55.93513	2.7
56.05018	2.9
56.94302	0.9
57.03439	8.2
58.06591	1.1
58.71411	0.9
59.06110	3.0
60.04514	2.0
67.02985	1.3
67.05508	5.2
68.05016	3.0
69.03429	2.6
69.04533	1.3
69.07069	12.8
70.06582	4.2
70.85105	2.3
70.95864	36.7
71.04987	1.9
71.06115	1.0
72.04514	2.2
72.08146	3.4
72.93790	33.0
72.94202	1.6
73.93830	2.0
74.06053	1.6
74.93813	4.4
79.05482	5.3
80.05023	2.0
81.04531	1.7
81.05781	1.1
81.07058	6.3
82.02925	1.5
82.06573	10.8
83.03694	0.9
83.04992	5.1
83.05403	0.9
83.06097	2.1
83.08609	2.4
84.04518	1.4
86.06073	1.3
86.09690	3.5
88.96902	10.6
90.94820	7.4
91.05476	4.2
92.94850	1.5
93.05772	1.4
93.07037	14.5
94.06566	3.2
95.04970	3.1
95.07354	5.0
95.08605	9.6
96.04491	28.3
96.05299	1.7
96.07562	1.7
96.08130	17.3
97.02892	1.0
97.04008	2.6
97.05273	25.3
97.06533	12.6
97.07621	2.3
98.06033	3.2
98.07182	1.5
98.09679	3.6
99.05598	1.2
100.07613	10.8
102.41789	0.9
108.08134	4.4
108.95886	1.4
109.06515	6.2
109.07669	1.2
110.06039	52.7
110.07213	2.9
110.09679	28.1
111.05566	4.1
111.06252	0.9
111.08075	11.3
111.10016	1.1
111.98477	13.3
113.07145	1.5
113.10763	1.1
113.96395	2.9
114.06659	4.5
114.09180	1.2
114.94765	1.4
115.05458	1.5
115.96439	3.4
120.05563	1.1
120.08097	5.4
121.06538	4.8
123.06824	2.8
124.04809	2.0
125.08379	13.5
126.09155	54.7
127.09490	1.0
128.10738	1.3
129.06982	1.4
129.99504	8.1
130.06546	4.4
131.97426	2.0
132.95827	38.1
133.97498	2.6
138.05556	2.5
138.06627	4.6
138.09135	100.0
139.07506	2.5
139.08513	1.1
139.09506	2.8
142.07794	1.4
150.96884	77.0
151.97119	1.5
155.97412	4.5
156.07709	5.3
156.10205	77.9
157.06450	1.3
157.07632	4.4
157.10573	1.7
168.97963	4.1
173.98512	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	155.143
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03930	2.6
53.53640	0.8
55.01856	2.2
55.05516	11.0
55.16594	0.8
55.93502	1.0
57.03425	2.8
57.07073	39.9
58.07382	1.0
59.04992	1.4
65.03928	2.4
67.01842	0.7
67.05499	11.9
69.03413	2.8
69.07067	29.1
69.96154	0.9
70.95865	7.1
71.04988	5.5
71.08627	41.2
71.50863	0.8
71.51247	1.1
71.56920	0.7
71.94100	1.0
72.93786	100.0
73.02905	0.8
73.93813	2.3
79.05472	2.3
81.03400	2.5
81.07053	16.4
83.04975	7.4
83.08601	2.7
84.92908	0.7
85.02905	4.1
85.06541	35.9
88.96880	1.8
90.94822	27.0
91.05481	1.3
93.07023	2.1
95.04959	14.4
95.08603	18.0
96.05624	1.1
97.06519	2.5
98.07091	0.8
98.98457	2.3
99.04449	4.6
99.08089	18.4
100.08372	1.0
105.13242	0.8
107.08568	0.8
108.95856	5.8
109.02850	3.2
109.06519	4.2
109.10143	8.5
110.06023	2.3
110.07148	2.5
111.04443	5.4
111.11658	1.2
111.98451	2.3
112.01572	0.9
112.08714	3.4
113.05995	3.2
113.96397	45.7
123.04411	4.9
127.03918	4.4
127.07516	2.3
127.08584	0.9
129.99484	1.0
131.97432	39.5
132.95847	8.1
132.97487	0.9
137.02316	0.9
137.05907	1.1
137.09587	1.8
137.13214	1.1
138.05518	1.0
138.06534	1.6
140.04683	4.0
141.01801	1.1
141.06966	2.9
149.97168	3.6
149.98283	1.1
150.96880	21.9
153.06931	2.3
154.99034	5.6
155.03432	4.5
155.04530	1.1
155.05830	0.9
155.07010	13.8
155.08519	9.2
155.10666	1.9
155.12968	1.9
155.14288	44.5
155.15552	2.3
155.97487	0.9
156.06485	1.1
156.08057	1.0
156.09290	2.4
156.14722	1.6
168.97948	1.4
173.98473	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	155.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01864	1.0
55.05508	4.5
55.93509	0.9
56.05031	0.7
57.03438	1.9
57.07073	100.0
58.06596	0.4
58.07412	1.8
59.05007	0.8
59.06141	0.7
65.03939	1.6
67.05501	8.7
68.05025	0.6
68.99800	0.4
69.03438	1.0
69.07063	2.6
69.96183	0.9
70.06598	1.1
70.95860	8.5
71.01347	0.6
71.04986	3.5
71.51537	0.6
72.04518	0.8
72.08163	0.5
72.93786	33.5
73.47101	0.4
73.93823	0.6
77.03943	0.4
79.05499	1.7
81.03444	1.8
81.04537	0.6
81.07054	9.0
82.04264	0.4
82.07402	0.6
83.04979	3.1
83.06110	0.5
83.08622	0.8
85.02898	0.8
85.04006	0.4
85.06541	14.7
86.06863	0.5
88.96909	1.8
89.10205	0.4
90.94815	8.3
90.95319	0.6
91.05487	1.0
93.07080	0.9
95.04965	13.3
95.05575	0.8
95.08602	7.6
95.09171	0.5
96.04508	0.3
96.05621	1.4
96.08933	0.5
97.02892	0.7
97.04029	0.5
97.06521	1.9
97.10185	0.5
98.07191	0.7
98.98496	0.6
99.04442	3.4
99.08108	0.9
101.06052	0.4
105.04541	0.8
108.95885	1.5
109.02897	1.4
109.06516	10.2
109.10148	8.9
109.10845	0.6
110.06097	0.9
110.07129	1.5
110.10518	0.6
111.04436	3.4
111.08100	0.8
111.09184	0.6
111.98457	3.0
112.01591	0.7
112.08761	0.6
113.06006	1.9
113.07178	0.5
113.09677	0.5
113.96394	14.5
113.97176	0.8
114.06680	1.2
114.10280	0.6
115.05447	0.5
119.08622	0.7
122.07337	0.3
123.04429	6.1
125.02374	1.4
127.03891	3.0
127.07578	1.0
128.06232	0.4
128.07092	0.6
129.99484	2.0
131.96214	1.1
131.97421	12.3
131.98351	0.7
132.95830	7.7
137.05992	3.8
137.09630	2.2
137.10623	0.4
137.13246	0.9
138.05556	0.4
138.06613	1.2
140.04672	4.7
140.06555	0.4
141.01933	0.6
141.06982	9.2
149.97229	1.3
150.96880	19.7
153.07048	0.9
154.99069	1.3
155.03407	2.4
155.07072	7.2
155.08727	5.5
155.10765	1.2
155.12967	1.0
155.14348	5.5
155.97447	1.3
156.06502	0.7
156.07832	0.6
156.09322	8.3
168.98085	0.9
173.98573	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33423	0.3
51.69036	0.3
53.03941	0.5
54.93837	3.1
55.01873	1.9
55.05510	2.9
55.93494	1.4
55.94580	1.2
56.05029	2.6
56.96563	33.5
57.03432	4.9
58.96157	0.4
58.99858	2.7
59.04972	1.2
59.99907	0.3
60.04487	0.8
60.95817	1.5
61.02926	2.3
61.15783	0.4
65.03915	1.1
67.01831	0.6
67.05495	1.7
68.05006	1.0
69.03094	0.4
69.03428	5.8
69.07040	0.6
69.96172	30.1
70.02921	0.3
70.03739	1.0
70.06590	1.7
70.95478	0.5
70.95860	10.4
70.98091	1.5
70.99833	0.7
71.01346	1.0
71.04985	2.4
71.50797	0.5
71.94096	12.3
71.95242	0.5
72.04503	1.8
72.08123	1.2
72.52967	0.5
72.93785	14.4
73.02916	3.4
73.95638	1.2
74.97585	0.7
75.01893	0.4
77.00887	2.4
78.52966	2.1
79.05455	0.5
81.03414	4.1
81.04502	0.5
81.07028	1.4
82.01411	2.0
82.03750	0.5
82.05259	0.4
82.06559	0.9
82.99847	0.9
83.00785	0.6
83.01341	0.8
83.03442	0.6
83.04977	2.2
83.06102	2.2
83.97626	0.4
84.01538	0.4
84.04481	0.5
84.96037	0.8
84.99236	0.4
85.01380	0.8
85.02378	0.8
85.02893	6.4
85.06497	0.4
85.95622	0.6
86.03206	0.8
86.06065	2.5
86.99310	0.4
87.04461	0.5
87.53457	1.2
87.97206	1.9
88.96893	2.5
88.99135	0.5
89.00861	0.9
89.95116	1.7
90.94818	3.7
91.02329	0.9
91.03966	0.4
91.05471	0.7
91.52528	0.4
92.52683	1.3
93.01988	0.4
93.04517	1.0
94.99821	0.5
95.01338	2.4
95.01897	0.7
95.02541	0.6
95.03497	0.4
95.04968	1.8
95.06065	1.6
95.08585	0.5
95.52259	0.4
96.01528	0.6
96.04487	2.7
96.06889	0.4
97.02309	0.8
97.02886	8.4
97.99199	0.9
98.01290	0.6
98.03187	0.8
98.97581	6.4
99.04459	2.6
100.02472	9.3
100.99135	1.1
101.00877	10.8
101.02413	0.4
101.03454	0.5
101.53202	0.8
101.95068	0.5
103.00591	0.8
103.02415	3.0
103.04092	0.4
103.96693	0.5
104.04005	0.5
105.00340	1.0
105.02073	0.7
107.53186	0.5
108.95847	0.4
109.02886	2.7
109.06530	0.8
109.07666	0.6
109.08437	0.6
110.01270	1.1
110.02201	0.6
110.03112	0.6
110.05996	1.4
110.07158	13.0
110.09669	1.2
110.97575	1.2
110.98788	0.7
111.02081	0.6
111.04436	2.1
111.98473	4.2
112.01585	0.7
112.02811	0.8
112.07541	0.4
112.96648	0.6
113.00858	8.1
113.03484	1.5
113.05987	0.9
113.95116	1.9
113.96389	3.2
113.98643	0.8
114.00993	1.4
114.03999	1.9
115.00639	1.1
115.01691	0.4
115.02416	2.8
115.04041	0.4
116.98608	2.5
117.01882	1.0
117.03964	0.7
118.01086	1.1
118.02766	0.4
118.03510	6.2
118.52991	0.5
119.01915	48.9
119.06795	0.4
120.01989	1.3
121.01665	1.2
121.03442	1.8
123.01423	0.5
123.04463	0.4
124.02474	1.4
124.03802	0.4
125.07915	0.9
127.00646	0.3
127.02446	0.6
127.03915	3.7
127.06253	0.4
127.07479	0.6
128.02219	0.5
128.98611	1.4
129.03976	1.0
129.05455	0.3
129.99536	2.4
131.01903	51.2
131.96146	55.6
131.97333	2.2
131.99677	1.4
132.01950	9.7
132.05058	10.1
132.95804	10.7
133.01648	5.0
133.02516	0.5
133.03455	9.0
133.05194	0.9
134.03574	0.4
134.99648	1.1
135.03181	0.5
135.05043	0.8
136.04570	0.4
137.00812	0.9
137.02963	15.9
137.04607	0.6
137.06192	0.4
137.07922	6.5
137.10765	0.8
138.05531	2.6
138.06471	0.7
138.09135	2.8
140.04626	0.4
141.05072	0.4
141.06471	0.9
142.03491	14.9
143.00143	0.4
144.99820	0.7
145.01764	0.9
145.03453	2.3
146.02071	0.5
146.05025	1.1
146.99608	1.0
147.01375	0.4
147.03239	0.4
147.05011	6.6
147.99313	0.4
148.03893	1.2
148.05174	1.0
149.01207	0.5
149.02956	11.4
149.97194	100.0
150.03061	2.7
150.06096	5.3
150.96855	20.9
150.98917	0.8
151.02719	3.3
151.04512	3.1
151.06358	0.8
151.97658	0.4
152.06648	0.4
154.03487	2.1
154.90703	1.8
154.97740	4.1
154.98705	0.3
155.00093	0.6
155.01920	10.3
155.03470	2.4
155.05519	0.8
155.06978	1.7
155.09012	12.4
155.11714	2.4
155.97467	1.1
156.02054	0.8
156.03192	0.6
156.05103	1.4
156.06502	0.6
156.07706	1.1
156.10219	1.3
158.99753	1.1
159.05034	0.5
160.04541	5.7
161.03015	0.5
163.02811	2.7
163.04482	0.6
163.54614	0.4
163.98769	0.4
164.03180	1.1
165.04999	0.5
165.06178	2.1
166.03673	0.4
167.02094	0.6
167.98259	9.8
168.01485	0.5
168.97993	0.8
171.05051	0.7
172.04594	0.5
172.98822	6.1
173.01323	2.0
173.03006	11.2
173.06549	0.5
173.98486	2.1
174.04675	0.6
174.06023	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	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39804	0.5
53.03931	1.6
54.03446	0.5
54.93829	2.1
55.01875	1.0
55.05509	10.6
55.93510	1.7
56.05021	1.6
56.96564	38.1
57.03431	1.2
58.06586	0.6
58.99838	0.7
59.06141	0.5
61.02908	0.7
65.03922	2.1
67.02971	0.6
67.05500	3.9
68.05016	1.0
68.99782	0.6
69.03426	3.4
69.04531	0.5
69.07040	0.5
69.79749	1.3
69.80138	0.9
69.96174	28.4
70.06590	1.1
70.95863	25.8
71.01338	1.0
71.04973	1.1
71.06091	0.6
71.94097	11.6
71.95255	0.5
72.04501	0.8
72.08114	0.5
72.93786	35.6
72.96053	0.6
73.02902	2.2
73.06552	7.6
74.06101	0.5
74.97588	0.6
81.03413	2.9
81.04520	1.4
81.07048	2.1
82.06557	0.7
83.04974	3.9
83.06078	1.7
83.97628	0.7
84.04479	0.6
84.96013	0.9
85.02905	4.0
87.05593	0.5
87.97205	1.5
88.96901	7.5
89.95117	1.5
90.94820	9.0
91.05471	0.7
92.03104	1.0
93.03405	0.7
93.04554	0.5
94.59807	0.5
95.01323	0.7
95.04961	3.0
95.06064	1.4
95.08616	1.1
96.05600	0.8
97.02905	3.3
97.04009	0.9
97.06537	0.5
98.07214	0.8
98.97581	14.9
98.98509	0.6
99.04456	1.6
100.02480	1.0
101.00857	1.5
103.53867	0.4
104.03089	0.6
106.97961	0.8
108.95854	1.6
109.02885	3.6
109.06516	1.9
109.07621	0.8
109.10151	1.3
110.01255	0.9
110.06046	1.1
110.07149	5.6
110.97564	1.1
110.98782	1.2
111.03976	0.6
111.04469	4.6
111.05549	0.7
111.98472	11.0
112.01535	0.7
112.07589	0.7
112.99203	0.5
113.00848	1.3
113.06004	2.2
113.07167	0.5
113.95090	2.1
113.96405	10.2
113.98654	4.8
114.06659	1.6
116.00231	0.6
116.98616	6.8
118.03515	0.8
119.01890	6.2
119.03612	0.6
119.97316	0.6
127.03915	5.4
127.07587	1.2
127.08565	0.7
128.98647	1.2
129.02179	1.0
129.99487	6.2
131.01900	10.1
131.96147	53.8
131.97392	6.5
131.99677	10.1
132.02003	1.4
132.05023	2.8
132.95818	26.9
134.99686	2.3
137.02351	1.6
137.05960	1.0
137.06987	0.5
137.07968	0.9
137.98392	0.9
138.05540	1.2
138.06612	1.4
140.04686	1.8
143.01830	0.5
145.01672	0.7
146.99686	1.0
147.03268	3.9
149.02948	2.3
149.97195	100.0
150.00693	9.5
150.06151	1.8
150.96873	59.4
151.97595	0.6
153.01044	0.6
154.90732	1.2
154.97726	2.9
154.98917	0.9
155.02010	1.1
155.03401	2.2
155.04637	8.6
155.07030	5.0
155.08119	1.0
155.09167	1.7
155.11807	0.9
155.54825	1.3
155.97380	3.2
156.02863	1.0
156.07700	1.4
156.11310	0.7
158.99657	5.5
161.01312	0.6
161.02928	0.6
164.05225	2.9
165.04333	3.4
167.98242	10.2
168.01808	1.3
168.97862	2.2
172.95239	0.7
172.98814	5.4
173.02911	0.9
173.98465	5.0
174.00771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39804	0.5
53.03931	1.6
54.03446	0.5
54.93829	2.1
55.01875	1.0
55.05509	10.6
55.93510	1.7
56.05021	1.6
56.96564	38.1
57.03431	1.2
58.06586	0.6
58.99838	0.7
59.06141	0.5
61.02908	0.7
65.03922	2.1
67.02971	0.6
67.05500	3.9
68.05016	1.0
68.99782	0.6
69.03426	3.4
69.04531	0.5
69.07040	0.5
69.79749	1.3
69.80138	0.9
69.96174	28.4
70.06590	1.1
70.95863	25.8
71.01338	1.0
71.04973	1.1
71.06091	0.6
71.94097	11.6
71.95255	0.5
72.04501	0.8
72.08114	0.5
72.93786	35.6
72.96053	0.6
73.02902	2.2
73.06552	7.6
74.06101	0.5
74.97588	0.6
81.03413	2.9
81.04520	1.4
81.07048	2.1
82.06557	0.7
83.04974	3.9
83.06078	1.7
83.97628	0.7
84.04479	0.6
84.96013	0.9
85.02905	4.0
87.05593	0.5
87.97205	1.5
88.96901	7.5
89.95117	1.5
90.94820	9.0
91.05471	0.7
92.03104	1.0
93.03405	0.7
93.04554	0.5
94.59807	0.5
95.01323	0.7
95.04961	3.0
95.06064	1.4
95.08616	1.1
96.05600	0.8
97.02905	3.3
97.04009	0.9
97.06537	0.5
98.07214	0.8
98.97581	14.9
98.98509	0.6
99.04456	1.6
100.02480	1.0
101.00857	1.5
103.53867	0.4
104.03089	0.6
106.97961	0.8
108.95854	1.6
109.02885	3.6
109.06516	1.9
109.07621	0.8
109.10151	1.3
110.01255	0.9
110.06046	1.1
110.07149	5.6
110.97564	1.1
110.98782	1.2
111.03976	0.6
111.04469	4.6
111.05549	0.7
111.98472	11.0
112.01535	0.7
112.07589	0.7
112.99203	0.5
113.00848	1.3
113.06004	2.2
113.07167	0.5
113.95090	2.1
113.96405	10.2
113.98654	4.8
114.06659	1.6
116.00231	0.6
116.98616	6.8
118.03515	0.8
119.01890	6.2
119.03612	0.6
119.97316	0.6
127.03915	5.4
127.07587	1.2
127.08565	0.7
128.98647	1.2
129.02179	1.0
129.99487	6.2
131.01900	10.1
131.96147	53.8
131.97392	6.5
131.99677	10.1
132.02003	1.4
132.05023	2.8
132.95818	26.9
134.99686	2.3
137.02351	1.6
137.05960	1.0
137.06987	0.5
137.07968	0.9
137.98392	0.9
138.05540	1.2
138.06612	1.4
140.04686	1.8
143.01830	0.5
145.01672	0.7
146.99686	1.0
147.03268	3.9
149.02948	2.3
149.97195	100.0
150.00693	9.5
150.06151	1.8
150.96873	59.4
151.97595	0.6
153.01044	0.6
154.90732	1.2
154.97726	2.9
154.98917	0.9
155.02010	1.1
155.03401	2.2
155.04637	8.6
155.07030	5.0
155.08119	1.0
155.09167	1.7
155.11807	0.9
155.54825	1.3
155.97380	3.2
156.02863	1.0
156.07700	1.4
156.11310	0.7
158.99657	5.5
161.01312	0.6
161.02928	0.6
164.05225	2.9
165.04333	3.4
167.98242	10.2
168.01808	1.3
168.97862	2.2
172.95239	0.7
172.98814	5.4
173.02911	0.9
173.98465	5.0
174.00771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
54.93823	2.0
55.01864	1.9
55.05518	0.4
55.39904	0.4
55.93531	0.7
55.94611	1.8
56.96568	3.4
57.03420	1.9
57.19804	0.4
58.99858	4.9
61.02921	0.9
67.05512	0.8
69.03425	1.2
69.19044	0.4
69.96174	13.5
70.06600	0.8
70.33600	1.0
70.33991	0.8
70.95856	4.3
70.99847	2.0
71.01361	0.3
71.04984	0.4
71.94093	6.2
72.04537	0.5
72.93785	12.1
73.02910	2.7
73.95670	0.7
77.00908	2.2
78.52935	1.0
81.03423	1.2
82.01435	4.6
82.05344	0.5
82.99851	1.2
83.00832	0.5
83.01408	0.4
83.04990	0.7
83.06108	2.1
85.01403	0.6
85.02893	1.1
85.95639	0.8
86.06078	1.2
86.52715	0.6
86.99334	0.7
88.96910	0.7
89.00896	1.4
89.30486	0.4
89.95152	1.2
90.94827	2.9
91.02425	0.6
93.04522	0.9
94.99829	1.0
95.01353	0.6
95.01923	0.6
95.03432	0.4
95.04982	1.0
95.06092	1.5
96.04491	1.0
97.02893	1.2
97.07722	0.4
98.97588	1.6
100.02480	18.6
101.00876	20.6
101.02454	0.7
101.95143	0.5
102.00909	0.4
102.02390	1.2
103.00639	0.4
103.02438	2.1
103.96668	1.0
104.01279	0.6
105.00364	0.6
108.95841	0.5
109.02834	0.6
110.06398	0.7
110.07158	14.7
110.98796	0.7
111.04412	0.4
111.98493	2.0
112.96706	0.4
113.00859	15.3
113.05966	0.4
113.95102	1.4
113.96398	5.4
114.00967	1.4
114.04015	2.2
115.02434	0.9
116.98640	0.4
117.13316	0.4
118.01171	0.9
118.03508	11.0
118.04332	0.7
119.01915	71.3
120.02048	1.7
121.01622	1.5
121.03454	1.1
123.03918	0.5
124.02486	1.9
126.09122	0.5
127.03919	1.2
129.99525	1.1
131.01900	100.0
131.96143	32.6
131.97392	3.9
132.01933	9.2
132.05057	4.9
132.95799	5.0
133.01604	2.3
133.03448	6.4
136.02371	0.5
137.02950	17.6
137.10802	0.4
138.09122	1.0
140.04634	0.9
141.05074	0.6
142.03490	20.5
145.03447	2.3
147.01401	0.5
147.05020	0.5
149.02950	22.5
149.97192	50.1
150.03090	1.8
150.06116	2.5
150.96866	10.2
151.02750	0.5
151.04526	1.7
154.03490	3.7
154.97754	2.1
155.01891	7.0
155.03532	2.0
155.06990	0.9
155.11850	0.7
155.13087	0.4
155.97382	0.7
156.03075	0.8
156.07686	1.5
160.04562	5.8
161.02968	0.7
163.04539	0.7
167.98268	4.5
172.04567	1.0
172.98860	3.2
173.01439	0.9
173.02960	11.8
173.98547	0.6
174.03113	0.8
174.06110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.93833	2.6
55.01866	0.6
55.05508	2.1
55.93511	0.7
55.94611	0.2
56.05032	0.4
56.96563	17.6
57.03424	0.9
58.99868	0.4
59.04991	0.3
59.06115	0.3
61.02915	0.2
65.03935	0.5
67.05490	0.7
69.03414	1.1
69.96174	26.4
70.06591	0.4
70.74245	0.6
70.95862	8.4
70.98116	0.9
70.99831	0.3
71.01340	0.3
71.04987	1.2
71.94097	10.2
71.95248	0.4
72.93785	11.9
72.94886	0.4
73.02911	0.7
73.95679	0.3
74.97606	0.5
77.00897	0.2
78.52940	0.2
79.05498	0.3
81.03403	0.9
81.04518	0.3
81.07047	0.6
82.01434	0.4
82.34184	0.2
83.00768	0.3
83.04964	0.7
84.95995	0.3
85.02892	0.8
87.04459	0.4
87.97229	1.2
88.96904	2.0
88.99136	0.3
89.00825	0.4
89.95133	1.1
90.94825	3.0
90.95955	0.3
92.52703	0.4
93.03402	0.4
93.04499	0.2
95.01321	0.9
95.04964	0.7
95.06091	0.5
95.08587	0.3
97.02877	1.0
97.07666	0.3
97.99180	0.9
98.97594	2.3
99.04459	1.8
99.05535	0.3
100.02463	1.7
101.00872	1.9
102.01601	0.2
103.02416	0.5
104.03104	0.2
105.00381	0.4
108.95876	0.3
109.02885	0.9
109.10158	0.4
110.01290	0.4
110.07146	3.1
110.09631	0.3
110.98793	1.4
111.04432	1.0
111.09219	0.3
111.98470	3.0
112.96725	0.5
113.00884	1.5
113.06017	0.6
113.95098	2.2
113.96382	3.5
113.98650	1.8
114.04063	0.6
115.00632	0.3
115.02415	0.3
116.00235	0.4
116.19170	0.2
116.98608	1.4
118.03493	1.1
119.01912	8.7
120.01984	0.4
127.03908	2.4
127.07548	0.5
127.08670	0.3
128.02313	0.3
128.97797	0.6
128.98677	0.3
128.99820	0.3
129.03975	0.3
129.99500	1.8
130.97751	0.3
131.00279	0.5
131.01906	11.5
131.96143	57.2
131.97314	2.2
131.99657	3.7
132.01959	2.0
132.05066	3.6
132.95816	8.5
133.01604	0.5
133.03479	1.3
133.04362	0.3
134.01277	0.4
134.99677	0.6
137.02985	2.8
137.07938	0.7
137.73750	0.2
137.98367	0.7
138.05496	0.6
138.06525	0.3
140.04720	0.4
141.01219	0.3
142.03497	2.9
145.03412	0.3
146.99620	0.5
147.03291	0.4
149.02957	3.0
149.97194	100.0
150.00595	3.0
150.06085	2.5
150.96858	15.4
151.04597	0.3
151.97632	0.6
154.03520	0.5
154.04802	0.2
154.90752	1.1
154.97746	3.0
155.01898	1.8
155.03435	1.0
155.04625	0.8
155.07040	1.8
155.09099	1.5
155.11763	0.5
155.97433	0.7
155.99754	0.3
156.07675	0.3
158.99637	1.0
160.04579	1.0
161.02888	0.2
165.04335	0.3
167.98256	10.2
168.01791	0.5
168.97931	0.5
172.98802	7.2
173.01241	0.6
173.02959	2.6
173.98517	1.3
174.00775	0.4
174.06100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.93832	2.3
55.01875	0.3
55.05508	1.2
55.93513	0.5
56.05031	0.9
56.96560	7.2
57.04559	0.3
57.07077	0.2
58.99850	0.5
59.06121	0.3
65.03910	0.5
67.02990	0.2
67.05505	1.4
69.03426	0.8
69.07063	0.3
69.96172	25.6
70.76762	0.5
70.95859	5.8
71.06087	0.3
71.94096	10.1
72.04510	1.8
72.93783	12.6
72.94879	0.3
73.02916	0.3
77.00909	0.7
79.05490	0.3
81.03411	0.7
81.04539	0.3
81.07047	0.7
82.18256	0.2
83.04968	1.7
83.06099	0.4
84.04504	0.2
87.69279	0.2
87.97222	1.4
88.96904	1.6
89.51643	0.2
89.95131	0.9
90.94820	3.9
90.95900	0.3
93.07053	0.3
95.04964	1.2
95.06060	0.3
95.08612	0.4
96.02905	0.2
96.05610	0.5
97.03983	0.3
97.06425	0.2
98.07182	0.5
99.04433	0.6
100.02484	1.4
101.00871	1.4
103.02458	0.8
105.00443	0.3
105.06968	0.2
106.97989	0.2
108.95830	0.6
109.02875	0.8
109.06494	0.5
109.07644	0.5
109.10133	0.5
110.06019	0.3
110.07187	0.3
110.98792	1.2
111.04432	1.6
111.09178	0.3
111.98473	2.4
112.01563	0.5
112.02335	0.2
112.96697	0.5
113.00858	1.3
113.05985	1.1
113.95107	1.6
113.96387	5.0
113.98647	1.5
114.01005	0.2
114.03999	1.9
114.06643	0.8
115.03535	0.3
116.00109	0.2
116.98696	0.2
117.81625	0.3
118.03532	1.5
119.01915	6.2
120.02026	0.5
121.01644	0.3
121.03426	0.4
123.04395	0.5
127.03922	1.5
127.07540	0.5
128.08177	0.4
128.97826	0.2
128.99797	0.3
129.99496	1.5
131.01904	9.7
131.53175	0.5
131.96141	41.2
131.97371	3.9
131.99655	3.6
132.02124	2.5
132.05058	24.8
132.95798	6.0
132.96680	0.4
133.01489	0.2
133.03450	2.3
133.04567	1.3
136.04572	0.5
137.03001	1.9
137.06035	0.3
137.06972	0.2
137.98375	0.4
138.00003	0.5
138.06642	0.4
138.49863	0.6
140.04648	0.4
142.03491	1.0
143.02998	0.5
144.03172	0.3
146.02951	0.3
147.03752	1.0
147.04893	0.3
149.02951	3.0
149.50909	0.3
149.97191	100.0
150.00699	4.3
150.02489	3.6
150.06107	18.9
150.07372	0.3
150.96849	14.9
151.04485	0.9
151.97566	0.4
154.03465	0.6
154.97758	3.4
154.99036	0.6
155.01854	1.3
155.03378	1.0
155.06926	3.2
155.08199	0.3
155.09288	0.6
155.97406	0.7
156.03162	0.3
156.05066	0.7
160.04507	0.2
165.04761	0.5
167.98247	12.5
168.01747	0.5
168.03595	1.2
168.97946	0.8
170.31870	0.2
172.98788	6.5
173.02873	1.7
173.04131	0.8
173.07736	1.0
173.98410	1.1
174.06079	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01859	0.9
55.05511	6.3
56.05026	1.0
56.05825	0.3
57.07076	10.9
58.06598	0.5
59.04987	0.3
60.04515	0.2
65.03949	1.3
66.04261	0.4
67.05502	3.0
68.05021	0.9
68.05854	0.3
68.96320	0.6
69.03416	1.0
69.07064	1.2
69.52120	0.2
70.02948	0.3
70.06589	1.5
70.07391	0.3
70.63345	0.6
70.63743	0.3
70.94243	0.4
71.05001	1.3
71.94113	1.7
72.04517	0.3
72.08141	0.5
72.93788	13.1
79.05495	3.2
80.02151	0.5
80.04991	0.3
80.05814	0.4
81.03421	0.6
81.04541	0.4
81.06599	0.5
81.07056	8.3
82.06580	1.4
82.07378	0.7
83.04995	1.9
83.06086	0.5
83.07368	0.4
83.08624	1.3
84.04519	0.5
84.05260	0.3
84.08136	0.7
85.06532	1.8
90.94824	3.5
91.05462	0.9
93.03403	0.3
93.05768	0.4
93.07043	0.7
94.06564	0.5
94.07372	0.6
95.04967	5.2
95.06067	0.8
95.08601	1.7
96.04485	0.8
96.08119	0.5
96.08966	0.3
97.05266	2.6
97.06511	0.7
97.07619	0.3
98.05518	0.3
98.06063	3.0
98.09708	1.7
99.04457	0.9
105.04464	0.3
108.08112	2.8
108.08924	1.4
108.95872	0.4
109.02860	0.6
109.06522	7.4
109.07611	1.3
109.10152	2.2
110.06046	4.3
110.06808	0.5
111.04449	1.7
111.06826	3.5
111.08009	0.5
111.09206	1.1
112.04053	0.3
112.04798	0.7
112.08701	0.9
112.96696	0.5
113.05988	0.6
113.96404	6.7
119.09945	0.3
123.04416	2.0
124.07594	0.8
125.02356	0.9
125.08379	0.7
126.05481	0.4
126.06353	0.4
126.09142	3.2
126.09974	0.3
127.03927	1.0
127.07465	0.3
130.96301	0.4
131.96172	0.5
131.97438	6.5
136.07565	0.9
136.08514	0.4
136.12010	0.4
137.02325	0.5
137.05975	0.8
137.07051	0.4
137.09589	0.7
137.10631	0.2
137.13260	0.3
138.05486	0.8
139.03893	0.8
139.06277	4.9
139.07510	1.0
140.04689	2.6
141.01697	0.3
145.82294	0.3
148.97351	1.1
149.97241	1.7
152.07057	0.8
154.02176	1.4
154.08627	100.0
154.99025	0.6
155.03421	0.9
155.07120	2.3
155.09038	3.7
155.10405	0.3
155.10670	0.2
155.14255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.77762	0.8
53.00286	1.5
53.03923	3.0
53.99820	0.9
54.72131	0.8
55.01860	2.1
55.05509	15.1
57.03417	1.8
57.07068	2.1
59.05000	6.0
61.41533	0.8
61.53331	0.8
65.03934	8.4
67.05504	7.1
69.03405	2.2
69.07066	10.4
69.81016	1.7
69.81424	4.2
70.06571	0.9
70.94244	2.2
71.04611	1.5
71.04989	31.0
71.94075	3.5
73.06557	21.9
76.00721	0.9
79.01860	9.1
79.05488	29.6
81.03423	1.1
81.07053	100.0
82.07366	2.9
83.04982	8.0
83.08614	3.2
85.06540	1.0
88.95353	0.9
91.05473	10.9
93.03421	5.4
93.07040	42.4
94.07331	1.0
95.04961	4.5
95.08588	10.0
97.02898	1.5
97.06533	9.4
98.21439	0.9
103.58286	0.8
105.07005	2.5
107.01283	1.9
107.04936	2.4
107.08586	41.9
108.08900	1.6
109.06482	3.1
109.10156	7.8
110.03620	1.2
111.04443	10.5
111.08056	6.7
111.96838	0.8
112.08709	1.2
112.96701	1.4
114.89650	0.9
119.08555	2.5
125.02313	3.6
125.05972	6.7
125.09651	1.2
129.97939	1.1
130.39552	0.8
135.04379	2.1
135.08018	2.4
135.11684	25.4
136.11922	0.8
143.03384	8.1
146.16821	1.0
148.97365	0.9
153.01830	18.2
153.02953	3.1
153.05484	5.2
153.09071	2.4
153.11418	1.1
153.12712	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00326	1.3
53.03936	3.1
55.05515	13.4
56.82420	0.8
57.07067	1.3
58.09908	1.0
59.04995	8.3
65.03938	1.2
65.32195	0.9
67.05500	6.6
69.07070	10.1
70.82876	2.7
71.04990	35.9
71.05383	1.9
73.06552	23.3
79.01826	1.0
79.05489	24.1
81.07053	100.0
82.07389	2.8
83.04937	1.9
83.08615	1.8
83.47720	1.0
85.06540	1.1
91.05481	10.5
91.40029	1.0
93.07042	39.9
94.64626	0.9
95.04971	3.1
95.08605	6.8
97.06528	6.7
105.04530	1.2
105.07025	2.8
107.08593	32.9
108.08932	1.2
109.06536	1.1
109.10143	6.6
111.08081	3.8
119.08544	1.3
120.09319	1.3
135.11684	20.9
153.12753	8.3
170.24586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02378	2.3
51.88953	1.5
53.03947	3.2
55.01869	3.0
55.05512	21.1
57.03419	3.1
57.07056	2.3
59.05005	8.7
65.03938	13.3
67.05505	19.0
68.05006	1.7
69.03422	3.5
69.07066	14.2
69.87675	1.5
70.06583	2.0
70.94245	3.1
71.04992	34.8
71.06198	2.7
73.06555	18.3
75.58209	1.4
79.01857	12.7
79.05488	32.3
81.07053	100.0
82.07368	3.2
83.04980	10.7
83.08614	3.0
85.06525	1.5
91.05479	14.4
93.03392	8.4
93.05795	1.7
93.07037	42.4
95.04964	5.8
95.06076	1.9
95.08604	10.9
97.02895	1.8
97.06521	14.3
99.36431	1.6
102.05730	1.4
105.07021	3.8
107.01307	2.8
107.04943	3.9
107.08588	49.5
109.06508	4.4
109.07646	1.6
109.10150	13.5
110.03652	4.5
111.04437	23.0
111.08062	8.8
111.09187	1.9
112.08736	2.2
113.05885	2.4
119.08565	2.4
125.02331	4.8
125.05946	7.6
125.09624	2.7
135.04439	1.6
135.08023	6.1
135.11685	22.6
136.08597	1.3
138.03105	2.6
143.03407	8.0
153.01817	22.9
153.02982	5.2
153.05463	13.4
153.07886	1.7
153.09030	3.0
153.11469	3.4
153.12720	16.4
154.02098	1.4
154.08595	2.2
154.09743	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	153.1273
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
53.03941	2.8
55.01856	1.8
55.05271	1.3
55.05510	14.6
57.03436	4.2
57.07056	2.6
59.04988	1.7
65.03941	16.4
67.05505	32.9
69.03439	4.3
69.07067	50.7
70.94259	5.1
70.95852	1.6
71.04976	3.7
71.52814	0.8
71.93737	1.2
71.94103	14.2
71.95252	2.4
73.06571	1.1
79.05492	30.0
80.05765	0.9
81.07051	41.1
82.04176	1.2
82.07366	1.1
83.04978	13.1
83.08620	5.6
85.02921	1.0
85.06526	2.1
88.95287	2.7
89.95131	1.6
91.05460	7.6
93.03403	6.3
93.07040	48.2
94.07331	0.9
95.04982	6.5
95.08607	22.7
96.08875	0.8
97.06531	23.8
97.07156	1.3
105.04526	1.3
105.07018	2.7
107.04961	4.0
107.08590	55.2
108.08896	1.1
109.06517	2.4
109.10154	37.0
110.03649	4.0
111.04453	28.8
111.08079	10.5
111.11697	1.2
111.96854	2.1
112.04842	0.9
112.96715	5.6
119.08559	0.9
121.02919	0.9
122.02382	1.2
125.05977	13.1
125.09568	2.0
126.06327	1.4
129.97906	3.2
130.97720	3.9
133.10104	1.3
134.05981	1.1
135.04401	1.4
135.08081	3.0
135.11685	100.0
136.03958	1.4
136.07581	0.9
136.12022	3.9
138.03078	1.2
138.05086	1.0
152.99460	1.2
153.01833	2.5
153.05490	10.9
153.07518	4.4
153.09114	6.2
153.12738	76.5
153.99327	0.8
154.05003	3.1
154.13072	2.9
154.15839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02372	0.5
53.00301	0.3
53.03938	1.7
54.18488	0.3
55.01867	3.2
55.05508	27.5
56.05842	0.4
57.03425	1.3
57.07079	0.6
59.05005	1.7
59.05250	0.4
65.03940	4.3
67.05505	5.3
69.03423	5.2
69.07066	3.6
70.94265	0.7
71.04987	5.6
71.14905	0.5
71.94096	0.9
73.06554	2.8
79.01847	1.9
79.05015	0.5
79.05489	14.5
81.07053	17.6
83.04976	100.0
83.08607	2.3
84.05305	2.1
91.05471	14.9
93.03410	2.1
93.07038	25.0
94.07367	0.8
95.04966	4.9
95.08596	3.6
97.02892	1.4
97.06532	5.2
99.04457	1.0
105.04507	0.6
105.07026	6.0
106.04202	0.4
107.01328	0.3
107.04947	1.5
107.08586	41.7
108.08923	1.1
109.06524	5.7
109.10138	3.7
110.03654	0.8
111.04446	5.2
111.08074	24.9
111.96835	0.6
112.08479	0.4
112.96686	0.4
115.05465	0.6
117.07004	0.9
119.06091	1.2
122.11006	0.4
122.90862	0.4
124.05149	0.4
125.02338	0.7
125.05980	4.8
125.09616	4.8
125.10483	0.5
129.97876	0.4
133.15802	0.3
135.04410	0.7
135.08041	5.0
135.11679	3.9
136.07564	0.4
143.03384	1.2
143.07059	0.5
153.01825	4.2
153.02921	0.6
153.05495	1.6
153.09097	11.7
153.11359	1.1
153.12697	3.2
154.09570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.2
51.02197	0.4
51.02377	5.0
51.13019	0.4
53.00290	0.4
53.03942	2.1
53.43713	0.4
55.01859	2.0
55.05508	7.6
57.03408	0.9
57.07050	0.9
59.04991	1.6
65.03933	7.1
67.05502	5.2
68.05022	0.6
68.99775	0.6
69.03429	3.7
69.07067	4.7
70.94242	1.3
71.01357	0.4
71.04665	0.4
71.04988	4.4
71.50998	0.6
71.94114	0.6
73.06561	2.6
75.04479	0.6
77.03887	0.5
79.01851	53.1
79.05489	16.9
80.02182	1.4
81.07050	14.3
83.04500	0.8
83.04977	12.7
83.08603	1.0
87.00809	1.0
89.20710	0.5
91.05471	4.6
93.03406	3.6
93.07037	14.7
95.01325	0.7
95.04961	3.9
95.08610	7.0
97.02885	9.5
97.06525	4.9
105.07013	1.9
107.01311	12.4
107.04946	10.9
107.08585	19.1
108.08854	0.6
109.06512	1.6
109.10170	6.2
110.03630	1.9
110.07100	0.5
110.93098	0.4
111.04440	10.1
111.08080	4.3
111.96872	0.8
112.08691	1.2
121.06476	0.5
123.00771	2.4
123.04421	0.9
125.02349	20.4
125.05980	4.7
125.09628	1.7
135.04437	1.9
135.08044	5.7
135.11690	7.0
136.07495	0.5
137.02332	17.2
138.03116	25.1
138.06769	0.7
143.03387	42.5
144.03711	1.3
146.75323	0.4
153.01813	100.0
153.02942	19.3
153.05450	63.0
153.08990	4.2
153.11470	0.8
153.12703	7.0
154.02197	3.3
154.03249	0.6
154.05849	2.1
154.09758	0.5
167.70509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.4
51.02378	4.3
53.03951	0.4
55.01864	1.8
55.05513	2.0
57.03437	0.7
59.04996	0.7
65.00322	0.3
65.03940	7.6
67.05508	2.6
68.99789	0.7
69.03432	2.7
69.07069	2.3
69.54311	2.3
70.06576	0.3
70.94263	0.9
71.04987	1.0
71.94104	1.5
79.01854	50.3
79.05495	4.6
80.02191	0.9
81.03419	0.4
81.07067	2.7
83.01355	0.6
83.04988	2.1
83.08633	0.5
83.77577	0.3
84.51376	0.3
87.00844	0.4
88.95323	0.4
91.05486	2.8
93.03397	5.2
93.07045	5.1
95.01337	0.7
95.04955	1.7
95.06100	0.5
95.08615	3.2
97.02897	8.6
97.06529	3.3
105.07068	1.3
107.01315	10.7
107.04942	1.6
107.08591	9.4
108.05545	0.4
109.06512	1.4
109.09473	0.4
109.10165	4.0
110.03652	1.8
110.06058	0.3
110.10442	0.3
111.04443	14.1
111.08056	1.6
111.96860	0.6
112.08726	1.0
112.96703	0.6
113.05859	0.5
119.06036	0.4
119.08510	0.4
121.02885	0.3
121.06531	0.3
123.00800	1.6
125.02354	17.6
125.05997	6.0
125.09627	0.6
129.97940	0.6
130.97739	0.5
133.11716	0.3
135.04433	0.7
135.08057	13.1
135.11681	3.0
136.08580	0.5
138.03134	0.9
138.06779	0.3
143.03394	40.5
144.03735	1.2
153.01840	100.0
153.02951	18.7
153.05365	4.7
153.09081	1.9
153.11362	2.1
153.12741	4.6
154.02159	2.9
154.03278	0.6
154.04907	0.5
154.06059	0.4
154.08585	0.6
154.09717	0.4
163.93198	0.3
164.26732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	N-(Acetyloxy)benzenamine
Peak:m/z	Relative Intensity
50.01584	0.5
51.02372	0.6
52.56150	0.5
53.03948	2.3
53.38597	0.4
55.01861	1.1
55.02979	0.5
55.05503	1.0
56.96308	0.8
56.96565	13.2
57.03442	3.2
58.99866	0.6
59.04993	1.0
61.02921	1.2
62.37791	0.5
65.03933	4.2
66.04720	0.7
67.05499	1.4
68.05031	0.7
69.03425	3.2
69.07066	0.5
69.87878	1.8
70.06575	0.8
71.04967	0.8
71.95277	0.8
73.02911	1.2
75.99322	0.4
77.00890	0.7
77.03915	0.5
78.03471	0.4
79.01846	4.8
79.05493	6.3
80.05004	1.5
81.01928	0.7
81.03410	1.7
81.05788	2.7
81.07050	1.1
82.06565	1.6
83.04972	2.0
83.06104	0.6
84.02440	0.5
85.01382	0.7
85.02908	3.3
87.04473	0.5
88.02679	0.9
91.02441	0.8
91.05479	0.8
92.04993	3.0
93.03384	1.6
93.05795	1.1
94.06573	2.9
95.04959	2.2
95.06062	0.6
96.01600	0.5
96.08126	3.8
97.02886	5.5
97.06518	0.8
97.07643	1.4
98.01408	0.6
98.97584	4.6
100.02499	1.4
101.00880	1.7
101.02496	0.5
103.00629	0.5
103.02448	2.7
105.02074	0.5
106.06557	5.8
107.04948	1.1
107.08564	0.6
108.04360	0.5
109.02872	0.7
109.05154	1.4
109.07626	1.2
110.03503	6.8
110.06037	5.9
110.51453	0.6
110.97565	5.5
111.04394	2.8
111.09201	0.6
115.02440	2.1
116.98592	2.3
117.04000	1.6
119.01906	3.7
119.03590	0.5
120.01979	0.8
121.01648	0.8
121.03488	1.0
122.06014	2.1
123.04371	0.6
123.06839	2.6
124.07588	8.7
125.02368	1.3
125.04636	0.8
125.06001	1.4
125.07079	0.6
128.04594	3.1
128.98596	7.4
129.00221	0.5
129.04004	2.2
131.01918	1.2
133.03426	2.6
134.06009	100.0
134.99619	0.8
135.03012	9.6
135.05023	3.4
135.06354	3.5
135.09161	0.8
136.01381	0.6
137.02966	1.0
137.04778	1.0
137.05931	1.0
138.05428	0.9
140.04984	1.2
141.04945	0.6
143.01939	0.9
143.03398	4.2
145.03452	0.6
146.99635	6.1
147.01360	3.0
147.03265	0.8
147.05042	4.4
150.05487	0.5
152.01624	1.3
152.05679	68.1
152.07062	94.7
152.11818	1.2
153.01897	9.5
153.03030	1.3
153.04071	20.9
153.05334	1.6
153.07349	3.2
159.03372	0.7
159.05000	0.6
161.02939	1.6
161.06607	3.7
165.00705	1.3
165.04646	0.4
165.06071	1.0
170.02893	0.7
171.04996	0.7
173.02948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03933	1.4
55.01854	1.4
55.05507	2.8
56.10116	0.3
56.96535	0.6
57.03432	0.8
57.07061	1.3
58.75650	0.3
59.04988	1.5
65.03924	2.2
67.05500	12.4
68.05011	0.4
69.03424	2.2
69.07066	3.3
69.18053	2.9
69.18475	1.1
71.04970	0.6
79.05071	0.6
79.05491	7.0
81.03398	1.3
81.07050	23.9
82.07367	0.9
83.04982	1.9
83.06115	0.6
85.02888	0.4
86.09064	0.3
91.05477	7.6
93.07034	6.2
95.04392	0.4
95.04970	7.6
95.08604	8.9
95.52276	0.3
96.05291	0.4
97.06517	1.4
97.07652	0.3
98.97556	0.4
103.05454	0.6
105.03378	0.7
105.04527	0.6
105.07030	13.6
106.07352	0.6
107.04939	1.1
107.08587	7.1
108.02094	0.5
108.05720	0.9
109.06513	16.4
109.10147	11.2
110.07230	0.8
110.10496	0.3
111.04443	1.1
111.07944	2.5
117.06988	0.4
119.01818	0.4
119.04955	0.5
119.06052	0.6
121.06506	1.4
121.10155	3.1
123.04424	4.4
123.07221	0.6
123.08062	7.8
123.10880	0.5
123.11690	8.1
124.08683	0.7
124.12027	0.5
128.02281	0.4
131.08548	1.1
133.06482	0.8
133.10124	5.9
134.05977	0.4
135.08040	0.5
136.08856	2.5
151.02829	1.0
151.03923	7.3
151.05026	0.8
151.07611	5.0
151.11169	100.0
152.01633	0.8
152.06973	0.5
152.11539	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03956	1.0
55.01853	1.6
55.05518	3.1
57.03421	1.0
57.07074	2.3
59.04982	1.5
65.03927	1.8
65.79164	0.5
67.05502	12.2
68.05000	0.4
68.05848	0.4
69.03421	2.4
69.07066	2.4
71.10065	0.9
77.03911	0.6
79.05499	6.1
81.03410	1.3
81.07055	19.7
81.07535	1.0
83.04993	2.1
91.05483	8.2
93.03398	0.5
93.07044	6.0
95.04971	7.8
95.08073	0.6
95.08612	7.2
97.06535	1.6
103.05479	0.6
105.07027	11.6
107.04955	0.8
107.08590	6.4
108.05782	0.5
109.06517	14.6
109.10154	13.9
110.07183	0.9
111.04462	0.5
111.07951	2.7
117.87120	0.4
118.52671	0.4
119.04931	1.4
121.06526	1.0
121.10155	2.7
122.07262	0.6
123.04443	3.8
123.08073	9.2
123.11700	6.3
124.07581	0.6
124.08521	0.4
131.08575	0.6
133.06509	0.7
133.10130	4.1
136.08821	1.6
151.03937	6.7
151.05046	1.1
151.07625	3.9
151.11176	100.0
152.06998	0.7
152.08113	0.5
152.11534	4.6
168.74557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03954	2.4
55.01875	2.6
55.05506	4.8
56.96559	1.9
57.03435	2.4
57.07077	3.5
58.62593	0.8
59.05001	3.2
64.15619	0.7
65.03937	5.5
67.05500	30.3
68.05003	1.5
68.05848	0.9
69.03420	4.5
69.07066	11.9
69.19276	7.7
71.05002	1.6
71.18400	0.7
71.18813	0.6
79.05489	15.3
79.05926	1.3
79.43929	0.6
80.65443	0.7
81.03431	1.2
81.07050	56.1
82.07401	1.6
83.04980	3.7
83.06097	1.6
83.08594	1.3
91.05477	20.2
93.03423	1.3
93.07041	12.2
94.04206	2.2
95.04961	17.3
95.08601	13.7
103.05460	1.1
105.04486	1.0
105.07027	20.8
106.06590	0.8
106.07353	1.4
107.04950	3.1
107.08585	29.0
107.09317	1.4
108.02082	2.2
108.05743	3.1
108.08896	1.3
109.06511	100.0
109.10147	54.2
110.06154	0.7
110.07107	2.7
110.10496	1.9
110.49513	0.7
111.04449	2.6
111.07946	5.3
119.04947	2.5
119.06084	0.7
120.18440	0.8
121.04031	0.8
121.06501	0.9
121.10122	2.9
123.03575	1.5
123.04424	12.1
123.08060	29.0
123.11694	23.0
124.07617	0.7
124.08470	1.2
127.07523	1.0
131.08574	1.9
133.06517	1.8
133.10127	13.1
134.05981	1.4
134.06996	0.8
136.05164	1.0
136.08792	0.8
141.05432	1.6
151.02805	1.0
151.03908	21.1
151.05042	4.1
151.06415	1.3
151.07558	9.5
151.09824	4.3
151.11165	39.3
152.01622	0.8
152.04346	0.9
152.08185	1.1
152.11574	2.6
168.16603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.87297	1.2
51.02345	1.1
53.03947	5.8
55.01862	6.4
55.05513	9.1
56.05023	1.6
56.96558	1.3
57.03419	2.5
57.07061	3.7
59.04992	3.7
65.03941	11.5
67.05503	40.8
67.41408	1.0
68.05012	3.7
68.05846	1.7
68.99783	1.7
69.03429	12.6
69.04560	1.2
69.07069	7.0
69.58908	7.6
71.04980	1.7
72.06714	1.2
77.03894	1.1
79.05492	21.8
81.03419	3.7
81.07055	61.6
82.06581	2.0
82.07378	1.9
83.04984	8.2
83.06089	3.5
91.05486	37.3
93.03416	2.5
93.07043	21.8
94.07361	1.5
95.01318	1.1
95.04967	34.5
95.08607	29.1
98.20871	1.8
103.05454	3.9
105.03385	4.4
105.04443	1.3
105.07033	33.1
106.06594	1.5
106.07342	1.9
107.04933	3.2
107.06071	1.2
107.08588	25.5
108.02112	5.2
108.05714	4.6
109.02864	1.6
109.06515	40.9
109.07636	2.9
109.10148	29.2
110.05986	1.4
110.07213	7.6
111.04442	7.1
111.07946	15.1
119.04926	10.7
119.06041	1.8
121.02841	1.1
121.06491	2.0
121.10122	3.5
122.07160	1.4
123.04431	47.2
123.08070	24.2
123.11696	21.6
124.04731	2.2
124.07591	2.2
124.08586	1.5
127.07568	1.4
128.02309	2.6
131.08566	1.4
133.02878	1.3
133.06500	6.8
133.10114	13.7
134.00580	1.1
134.05998	2.9
134.07111	2.4
136.05199	5.0
136.08844	4.7
141.05440	4.1
151.02895	3.4
151.03925	56.4
151.05035	9.7
151.07552	40.4
151.09828	6.3
151.11171	100.0
152.01651	22.9
152.04276	4.4
152.07042	3.2
152.08049	3.1
152.11603	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	151.1117
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
51.02378	0.8
53.00295	0.8
53.03948	5.5
55.01859	2.5
55.05508	6.1
57.03431	1.3
57.07074	6.6
59.05004	2.6
63.04657	0.7
65.03937	7.6
67.05501	29.9
68.05025	1.0
68.05815	1.4
69.03429	5.1
69.07063	57.0
70.07401	1.9
70.71487	0.6
71.05011	0.7
71.51032	1.3
77.03931	1.6
79.05488	17.9
81.03424	3.4
81.07051	100.0
82.07382	2.7
82.19038	0.6
83.04969	8.4
85.02914	0.7
86.75940	0.7
87.82013	0.7
91.05477	11.4
93.03393	0.8
93.07036	10.4
95.04961	28.1
95.08598	23.9
96.02201	0.6
97.06519	0.8
98.97551	1.0
99.61266	0.7
103.05445	1.0
105.03381	2.7
105.04531	1.8
105.07021	16.8
107.04938	2.2
107.08593	7.5
108.02087	3.3
108.05721	1.1
109.06512	17.2
109.07655	0.8
109.10149	13.0
110.07177	2.2
111.04440	2.9
111.07948	7.1
111.45791	0.7
119.04971	2.5
119.08518	0.7
121.02882	1.2
121.06532	1.0
121.10136	2.2
123.04420	17.0
123.08061	11.8
123.11697	50.7
124.04756	0.8
124.07607	0.8
124.08660	0.8
124.12014	2.0
128.02283	0.8
133.02879	1.0
133.06476	2.6
133.10139	6.4
136.01498	0.8
136.05115	0.7
136.08839	0.9
137.05896	0.7
141.05502	1.8
146.99712	0.8
149.73372	0.7
151.02853	2.0
151.03906	41.8
151.05003	3.0
151.07527	14.4
151.09824	4.6
151.11142	28.4
151.12375	1.3
151.14796	0.9
152.01591	1.6
152.04305	1.4
152.07068	1.9
152.11571	1.0
154.02582	2.0
168.08653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
51.02383	0.5
53.03944	4.9
55.01871	2.3
55.05503	0.5
56.96556	0.4
65.03936	12.0
67.05501	5.3
69.03419	0.3
70.15295	1.1
77.03914	0.8
78.04713	0.8
79.05499	0.9
81.03413	1.1
81.07062	1.3
83.04991	0.4
91.05476	100.0
92.05798	2.4
93.03349	0.3
93.07037	25.7
94.07377	0.7
95.04962	12.0
95.08611	1.5
96.05328	0.4
98.97539	0.3
103.05463	6.4
104.05797	0.4
105.03379	1.0
105.04510	2.8
105.07024	1.0
106.04166	2.1
107.01293	0.5
107.04942	0.3
107.08592	0.4
108.01619	1.7
108.05728	1.3
109.06511	29.4
109.10135	0.7
110.06848	0.9
116.98592	0.3
119.06060	12.8
120.06449	0.5
121.06503	2.2
121.25244	0.2
122.45142	0.2
123.03975	0.4
123.04456	0.4
123.08060	10.1
123.11695	0.6
124.01518	0.3
124.08390	0.5
128.02287	0.5
132.08046	0.6
133.10129	0.5
136.05254	0.2
137.05942	0.6
139.07535	4.9
149.07095	1.8
151.02780	0.4
151.03922	2.6
151.07530	20.3
151.11099	1.5
152.07849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02377	0.9
53.03944	4.0
55.01871	3.5
55.05507	5.1
56.96562	0.7
57.03428	1.4
57.07058	0.6
58.68348	0.4
59.04983	1.5
65.03619	0.6
65.03940	8.3
67.05502	17.5
68.05016	1.2
68.99784	0.9
69.03422	1.2
69.04547	0.4
69.07056	1.8
70.06597	0.6
70.91003	1.2
71.01341	0.4
71.04984	1.0
77.03927	1.5
79.05489	7.6
81.00286	0.4
81.03414	2.2
81.07052	16.2
81.61021	0.5
83.04979	2.7
83.06103	0.8
85.02885	0.6
91.05480	13.0
93.03403	1.5
93.07047	7.6
95.01330	0.8
95.04965	25.3
95.08595	7.1
96.08123	0.6
97.06498	0.9
97.07659	0.6
98.01330	0.5
98.32284	0.5
103.05455	0.8
105.03397	1.1
105.04515	1.4
105.07021	12.3
107.04970	2.3
107.08591	11.0
108.02097	7.8
109.02905	1.3
109.06523	6.7
109.07643	1.1
109.10153	5.6
110.06049	0.5
110.07167	1.6
111.04419	4.8
111.07949	3.9
114.72115	0.4
119.04940	3.4
121.02872	0.5
121.03971	0.9
123.04427	19.6
123.05338	1.0
123.08058	5.9
123.11708	4.0
124.04717	0.8
124.07616	1.0
124.08667	0.9
133.06502	1.7
133.10132	4.8
134.06035	1.2
134.07085	1.1
136.01570	1.2
136.05176	0.6
141.05463	5.1
149.02321	2.1
151.03906	100.0
151.05028	13.0
151.07506	9.6
151.09804	1.8
151.11177	10.7
152.01678	0.5
152.04288	2.9
152.05414	0.6
152.07019	1.0
152.08128	0.5
152.11752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32167	0.5
51.02391	0.9
53.03935	1.7
55.01869	2.0
55.05516	2.8
57.07063	0.5
65.03938	30.8
66.04292	1.1
67.05493	1.1
69.03399	0.7
69.07064	2.3
69.40009	0.5
71.51233	0.8
71.58467	0.6
77.03887	0.7
79.05486	10.6
80.05795	0.6
81.07065	2.6
89.03924	1.2
91.05479	10.8
92.05804	0.6
93.03397	8.1
93.07043	18.5
95.04970	3.9
95.08586	0.7
97.69775	0.4
98.03666	1.3
103.05468	4.9
104.90703	0.5
105.04569	0.5
105.07025	29.4
106.07835	1.1
107.04968	1.1
107.07888	0.7
107.08592	10.2
109.06503	1.0
111.04440	5.6
115.05461	0.9
116.06214	0.6
117.03377	0.6
119.08578	7.6
120.09338	1.4
121.02859	35.1
121.03964	8.2
121.06485	4.7
121.10136	100.0
122.03194	2.0
122.07137	0.6
122.10464	4.7
123.08043	5.9
131.04915	1.3
131.08553	1.9
133.07632	3.0
133.10106	1.2
149.02332	60.8
149.05960	2.9
149.08397	0.7
149.09595	5.8
149.13226	5.9
150.02660	4.0
167.03360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
52.58189	1.0
53.03942	4.6
55.01864	3.3
55.05510	5.6
57.07067	2.3
57.40838	1.3
59.36774	0.9
59.84338	0.9
65.03938	51.4
66.04246	1.5
67.05484	2.3
69.03414	2.1
69.07073	4.6
71.35726	1.2
76.66048	0.9
77.03925	1.5
78.04697	1.1
79.05489	24.4
81.07043	4.4
89.03912	4.0
91.05481	34.3
93.03391	11.7
93.07039	41.0
95.04957	7.5
95.08603	1.8
98.03671	2.1
103.05468	13.0
105.03439	0.9
105.04527	1.4
105.07027	42.9
106.07849	1.7
107.04941	3.2
107.08592	40.1
108.08893	1.9
108.57444	1.0
109.06512	6.4
110.08398	1.2
111.04449	9.9
116.06240	1.4
117.03348	1.8
119.06034	1.7
119.08575	11.2
120.09411	1.7
121.02860	57.6
121.03968	17.0
121.06492	14.8
121.10139	97.5
122.03175	2.7
122.10471	4.6
123.08089	6.4
129.07002	1.1
131.04921	7.0
131.08569	3.2
133.06656	1.0
133.07607	3.9
133.10098	2.3
134.10896	3.6
146.20581	0.9
149.02335	100.0
149.05954	7.0
149.08350	1.2
149.09604	21.5
149.13268	12.1
150.02704	5.2
150.03705	1.3
150.10097	2.2
167.03391	1.1
167.05447	1.2
169.03484	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03933	4.3
55.01856	4.1
55.05502	5.7
57.07057	3.3
65.03938	59.0
66.04272	2.1
67.05499	2.5
67.50288	1.2
69.03410	2.4
69.07064	5.9
69.58662	3.8
69.59087	4.9
74.28265	1.2
74.55968	1.2
77.03903	1.7
79.05489	23.2
81.07040	6.1
89.03908	5.3
91.05475	40.2
92.05785	1.9
93.03394	12.7
93.07041	44.2
95.04969	7.0
95.08607	1.5
98.03682	2.0
98.21464	2.0
103.05460	13.4
105.04531	2.2
105.07027	46.8
106.07857	2.8
107.04941	3.9
107.07885	2.7
107.08588	45.9
109.06510	5.8
109.07614	1.2
110.08437	1.3
111.04439	10.7
115.05492	1.4
116.06218	1.9
119.06047	2.3
119.08593	10.2
120.09363	1.2
121.02856	63.3
121.03970	16.0
121.06493	18.6
121.10139	93.7
122.03181	3.8
122.07083	3.1
122.10460	3.9
123.08064	7.1
131.04927	6.3
131.08536	4.3
133.07614	3.7
133.10074	1.4
134.03615	1.8
134.10931	2.9
149.02335	100.0
149.05962	8.3
149.08376	2.7
149.09587	18.9
149.13245	13.3
150.02675	6.6
167.03418	1.7
169.03471	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02367	1.3
53.03944	7.7
55.01860	3.9
55.05506	5.0
65.03937	56.1
66.04256	1.2
67.05495	2.9
68.99778	1.3
69.03426	2.7
69.07059	2.8
69.59461	4.5
69.59876	2.1
77.03901	1.2
78.04705	1.9
79.05489	32.4
81.03419	2.0
81.07047	7.3
89.03916	4.9
91.05476	43.8
92.05760	1.2
93.03391	14.6
93.07037	62.3
94.07365	1.1
95.04955	11.6
96.35837	0.9
98.03668	3.4
103.05459	19.3
105.04497	2.1
105.07024	35.0
106.04163	3.3
106.07801	3.8
106.46873	0.9
107.04935	3.1
107.08582	18.4
109.06490	4.0
111.04436	10.1
115.05470	1.8
116.06227	3.7
117.03352	2.3
119.08565	5.4
121.02857	61.7
121.03965	17.0
121.06495	16.6
121.10136	31.5
121.11045	1.4
122.03184	3.3
122.07128	2.0
123.08064	3.7
129.07018	1.8
131.04924	9.8
131.08575	3.7
133.07600	2.0
134.03615	1.9
134.07309	2.2
135.04448	1.3
149.02335	100.0
149.05997	9.0
149.09612	76.3
149.13249	4.4
150.02666	5.1
150.09988	5.0
169.03548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02364	0.9
53.03754	0.7
53.03945	8.0
54.49456	1.0
55.01859	4.0
55.05510	5.2
65.03939	53.9
66.04263	1.6
67.05489	3.2
69.03424	3.4
69.07059	2.8
70.19161	4.7
77.03917	1.5
78.04699	3.0
79.05491	50.5
80.05804	1.7
81.03424	1.5
81.07058	7.0
89.03922	13.6
91.05479	45.8
92.05802	1.8
93.03400	16.3
93.07042	87.4
94.07374	1.8
95.04965	13.3
95.08604	1.6
98.03665	2.2
103.05458	8.1
105.04510	2.8
105.07030	26.0
106.04153	1.6
106.07860	1.4
107.04939	4.8
107.08595	15.9
109.06539	5.5
111.04446	9.7
116.06218	3.9
117.03371	4.3
119.06080	1.1
119.08598	5.6
121.02862	59.9
121.03967	14.7
121.06495	17.5
121.10140	26.8
122.03227	2.3
122.10516	1.0
123.08085	1.6
131.04926	4.2
131.08569	8.8
133.07635	1.6
134.03618	3.1
134.07301	1.8
149.02342	100.0
149.05945	9.2
149.09610	28.8
149.13264	4.3
150.02672	5.5
150.09999	2.3
164.93071	0.9
167.03452	1.4
169.03574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03944	8.0
55.01869	7.2
55.05490	5.2
65.03622	2.7
65.03934	37.0
67.05496	3.0
68.99785	3.5
69.03415	5.3
71.09915	3.7
78.04697	2.7
79.05488	39.0
80.05814	1.7
81.03425	1.8
81.07036	5.6
84.35385	1.4
89.03913	3.3
91.05473	77.6
92.05827	2.0
93.03403	10.3
93.07040	62.0
94.07353	2.3
95.04974	12.1
98.03653	1.4
101.90076	1.5
103.05458	22.1
105.04504	2.3
105.07027	50.0
106.07814	4.7
107.04953	7.2
107.08574	7.6
109.06506	7.3
110.08406	3.0
111.04443	6.0
111.66423	1.4
115.05453	7.0
116.06225	21.1
119.08564	7.9
119.27518	1.5
121.02855	38.6
121.03960	11.1
121.06496	46.2
121.10138	42.4
122.03193	2.0
122.06934	2.4
122.10487	1.6
123.08096	6.8
128.06165	1.8
129.07019	6.6
131.04968	7.0
131.08569	26.6
132.08804	1.4
133.06448	2.2
133.07584	3.4
134.07240	4.6
147.08035	3.4
149.02327	76.2
149.05968	12.6
149.09610	100.0
150.02623	4.1
150.10036	3.8
154.79182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.50765	0.6
51.02352	0.8
51.61202	0.5
53.03943	4.5
55.01851	2.5
55.05521	3.2
63.73556	0.6
65.03939	27.1
66.04288	0.9
67.05491	2.4
68.99743	0.9
69.03413	1.6
69.07053	1.0
70.63464	1.8
77.03896	1.2
78.04707	0.7
79.05491	25.5
80.05766	0.7
81.07063	4.8
89.03920	3.3
91.05476	31.7
92.05782	1.2
93.02470	0.6
93.03404	7.1
93.07038	52.4
94.07361	1.8
95.04978	7.3
98.03656	1.4
103.05465	10.6
105.03394	0.8
105.04499	1.6
105.07026	35.6
106.07872	4.3
107.04958	1.8
107.08572	6.9
108.29714	0.5
109.06511	3.6
111.04433	4.8
115.05469	1.3
116.06224	2.3
117.03399	1.0
117.11008	0.7
119.08564	5.7
121.02854	31.0
121.03973	9.1
121.05684	0.8
121.06505	10.1
121.10136	30.4
122.03178	1.6
122.10461	1.3
123.08036	3.6
131.04921	3.5
131.08603	3.3
133.06464	0.8
133.07597	1.0
134.07231	1.1
134.10928	0.8
149.02335	63.5
149.05972	3.6
149.09610	100.0
149.13257	2.2
150.02650	2.5
150.09956	4.3
158.32465	0.6
167.03427	0.8
167.08568	0.7
169.03508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03943	4.4
55.01856	3.9
55.05501	2.3
62.27712	1.0
65.03938	46.3
66.04258	1.7
67.05504	2.1
69.03414	5.1
69.90632	2.1
69.91013	3.6
79.05489	20.7
81.03445	1.0
81.07053	4.0
89.03908	1.4
91.05478	51.0
91.87181	1.0
92.05800	1.8
93.03397	12.2
93.04283	1.0
93.07040	36.8
94.07358	1.6
95.04956	6.4
98.03662	2.2
98.20952	2.1
98.21510	1.5
103.05473	11.1
105.04506	2.0
105.07027	32.1
106.07803	3.0
107.04941	6.6
107.08587	7.8
109.06527	6.2
110.08400	1.2
111.04451	9.5
112.96700	0.9
115.05447	4.9
116.06236	17.2
119.08582	5.4
121.02858	59.9
121.03963	13.2
121.04772	1.7
121.06502	20.5
121.10132	26.4
122.03235	1.5
122.07086	1.7
123.08079	4.5
128.06184	1.8
129.07019	5.4
131.04926	9.0
131.08568	17.5
133.06525	1.6
133.07637	1.1
134.07281	3.0
147.08069	1.6
149.02333	100.0
149.05963	6.7
149.09616	51.8
149.13249	1.4
150.02736	4.5
150.10046	1.7
167.03452	1.7
169.83069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03949	3.9
55.01865	2.2
55.05505	1.1
65.03943	27.3
67.05498	1.1
67.08627	0.6
68.99802	0.8
69.03432	1.0
69.07047	1.1
69.66182	2.1
69.66596	1.5
77.03928	1.3
78.04704	1.1
79.05495	9.7
81.03430	0.8
81.07063	1.3
89.03916	6.0
91.05488	14.5
93.03407	7.0
93.07046	19.2
94.07357	0.7
95.04963	5.9
98.03677	1.3
102.04654	0.5
102.96677	0.5
103.05468	73.1
104.05798	3.2
105.03375	0.8
105.04512	1.5
105.07037	7.0
106.04171	1.0
107.04955	2.0
107.08594	5.0
109.06515	2.4
109.07655	0.9
110.08420	1.3
111.04446	4.5
116.06238	0.8
117.03372	2.2
119.08591	1.3
121.02864	31.9
121.03974	7.3
121.06499	8.5
121.10149	5.5
122.03207	1.3
122.07171	0.8
123.08086	0.7
131.04930	100.0
131.08578	2.1
132.05273	4.4
134.03618	1.4
147.79257	0.5
149.02347	56.5
149.05984	17.0
149.09610	6.4
149.13280	1.6
150.02672	3.4
150.06419	1.0
150.10240	1.0
153.83095	0.5
167.03430	0.8
169.03458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01865	2.2
55.05505	1.1
65.03943	27.3
67.05498	1.1
67.08627	0.6
68.99802	0.8
69.03432	1.0
69.07047	1.1
69.66182	2.1
69.66596	1.5
77.03928	1.3
78.04704	1.1
79.05495	9.7
81.03430	0.8
81.07063	1.3
89.03916	6.0
91.05488	14.5
93.03407	7.0
93.07046	19.2
94.07357	0.7
95.04963	5.9
98.03677	1.3
102.04654	0.5
102.96677	0.5
103.05468	73.1
104.05798	3.2
105.03375	0.8
105.04512	1.5
105.07037	7.0
106.04171	1.0
107.04955	2.0
107.08594	5.0
109.06515	2.4
109.07655	0.9
110.08420	1.3
111.04446	4.5
116.06238	0.8
117.03372	2.2
119.08591	1.3
121.02864	31.9
121.03974	7.3
121.06499	8.5
121.10149	5.5
122.03207	1.3
122.07171	0.8
123.08086	0.7
131.04930	100.0
131.08578	2.1
132.05273	4.4
134.03618	1.4
147.79257	0.5
149.02347	56.5
149.05984	17.0
149.09610	6.4
149.13280	1.6
150.02672	3.4
150.06419	1.0
150.10240	1.0
153.83095	0.5
167.03430	0.8
169.03458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
53.03948	0.8
55.01861	1.1
56.05031	7.4
56.14979	0.5
56.96566	3.6
57.03427	1.4
57.07064	1.0
60.04500	0.7
65.03937	15.1
66.04279	0.6
66.47961	0.4
67.05497	2.3
69.03428	1.4
69.87286	1.1
69.87696	2.1
71.01316	0.5
71.54103	0.4
72.13688	0.5
84.04500	100.0
84.08150	0.9
85.02900	3.4
85.04227	0.6
85.04838	3.0
85.06539	8.1
88.03972	0.5
91.05478	1.9
92.05814	2.2
93.03412	4.7
93.07053	1.8
94.53802	0.6
95.04964	1.1
97.99139	0.5
98.02646	0.5
98.03607	0.6
100.02490	0.9
102.05537	14.8
103.05470	2.2
111.04449	3.9
113.02347	0.5
118.03497	1.0
120.04491	1.0
120.05288	1.8
120.08106	0.5
121.02873	18.0
121.03986	5.2
121.06430	1.1
124.69068	0.5
130.04980	6.5
131.04918	0.6
134.59688	0.6
143.01028	0.6
148.03891	1.2
148.06044	0.7
148.07581	1.2
148.54138	0.5
149.02338	33.2
149.06013	1.6
167.03383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
53.34034	0.9
55.01857	1.3
55.05324	0.8
55.05509	8.6
61.50355	0.8
64.92770	1.0
65.03931	7.7
67.05504	1.7
69.07068	2.1
71.51366	1.4
77.03916	0.9
79.05492	7.3
81.07063	2.0
91.05479	94.8
92.05803	3.9
93.07052	4.8
95.04962	2.5
103.05474	6.3
104.06251	1.8
105.07030	68.9
106.07314	1.7
107.08594	7.4
114.69344	0.8
115.05459	2.7
116.06229	2.1
117.07008	17.2
119.04944	39.2
119.05801	1.9
119.08578	100.0
120.04491	1.5
120.05305	2.5
120.08903	4.8
123.96500	1.6
129.06989	3.3
131.08563	3.6
132.05719	1.7
132.09338	7.5
145.10107	9.7
146.10432	1.0
147.04427	26.9
147.08044	9.1
147.11684	53.2
148.04820	2.2
148.08650	1.2
148.12032	4.1
152.14091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03946	1.7
55.05515	9.3
56.49447	1.0
65.03938	8.1
67.05500	2.6
69.07056	4.2
70.31099	4.2
71.10848	0.9
79.05486	8.5
89.03912	2.7
91.05479	94.8
92.05811	2.8
93.07019	3.2
95.04972	2.0
98.21426	1.2
103.05455	4.7
104.06250	1.1
105.07027	75.1
106.07343	3.0
107.04965	1.8
107.08579	7.0
115.05450	2.8
116.06232	2.6
117.07011	16.3
119.04940	38.7
119.08578	100.0
120.05274	1.8
120.08888	5.1
129.07008	2.8
130.07814	1.2
131.08551	3.4
132.09363	6.0
145.10120	11.1
147.04410	30.3
147.05548	2.3
147.08026	8.0
147.09131	1.7
147.11682	47.2
148.04846	2.4
148.07538	1.7
148.12059	2.7
150.03020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03930	2.2
55.05511	9.8
56.37969	0.8
64.92796	0.8
65.03926	3.2
67.05506	9.1
69.07069	4.2
71.12648	1.4
79.05493	18.4
81.07056	4.4
91.05479	85.2
92.05809	3.9
93.07050	9.3
95.04965	3.3
103.05460	5.0
105.07030	100.0
106.07306	4.4
107.08578	2.1
117.07011	8.3
118.07794	1.2
119.04951	13.9
119.08578	59.9
120.08911	2.8
123.96430	1.0
129.07097	1.0
131.08551	1.3
132.09354	1.8
145.10126	3.8
147.04417	5.1
147.08061	1.3
147.11684	37.1
148.11990	2.4
158.38609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03933	2.3
55.05272	1.2
55.05509	12.8
60.41268	0.8
61.40250	0.7
63.10964	0.9
65.03917	1.1
66.26730	0.7
67.05486	3.9
69.07048	3.9
69.41162	3.1
69.41579	4.3
79.05492	8.0
81.07046	3.5
82.29301	0.8
91.05476	46.9
92.05807	1.5
93.07037	3.5
95.04948	1.8
97.36076	0.9
103.05474	4.1
105.07026	100.0
106.07366	3.5
107.08569	2.4
117.07028	8.2
119.04940	5.2
119.08575	89.5
120.08900	5.3
131.08563	1.2
132.09319	2.8
145.10132	6.2
147.04463	4.2
147.11679	48.5
148.12032	3.1
165.39966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05508	10.3
58.95732	0.6
65.03925	1.2
67.05505	5.5
69.07062	2.8
69.11738	0.6
69.25247	5.3
69.25655	1.1
75.48502	0.6
79.05483	10.0
81.07040	3.4
82.71359	0.6
91.05476	42.3
92.05802	1.5
93.07041	4.8
95.04943	1.1
103.05454	4.0
105.07024	100.0
106.07360	3.7
107.08585	1.5
111.49807	0.6
117.07017	7.4
119.04948	10.1
119.08572	61.5
120.08911	2.7
123.96437	0.9
131.08524	1.0
132.09305	1.9
133.65802	0.7
145.10124	4.8
147.04449	4.3
147.07980	1.1
147.11678	35.3
148.12033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03941	1.5
54.28875	0.8
55.05509	10.8
65.03922	1.6
67.05505	6.2
69.07052	2.2
69.26546	9.2
79.05494	12.2
81.07043	3.9
91.05476	47.2
92.05795	1.0
93.07049	4.5
95.04985	1.2
95.95218	0.9
103.05455	3.8
104.06252	1.8
105.07027	100.0
106.07323	5.0
107.08582	2.8
115.05382	1.1
117.07016	10.4
119.04948	3.0
119.08573	71.5
120.08901	2.1
132.09360	3.3
142.47937	1.0
145.10107	6.1
147.04385	1.3
147.11682	43.0
148.11972	1.4
165.40446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.24606	0.5
51.02383	0.5
51.99470	0.5
53.03941	1.6
55.01859	0.5
55.05510	10.9
57.29332	0.4
64.92813	1.1
65.03938	2.1
67.05509	2.3
67.12003	0.4
69.07063	2.7
69.79111	1.3
69.79543	1.6
79.05492	6.3
81.07047	1.7
81.72111	0.4
91.05478	37.1
92.05804	1.4
93.07028	2.7
95.04969	0.9
97.88487	0.4
103.05470	4.4
104.06275	0.6
105.07026	100.0
106.07342	5.4
106.07880	0.5
107.04919	0.7
107.08597	2.3
107.31763	0.4
115.05447	0.9
117.07015	8.6
118.07845	0.5
119.04943	9.6
119.08576	69.7
120.04457	0.8
120.05293	1.0
120.08115	0.7
120.08896	3.7
123.96473	1.1
129.06985	1.3
129.76613	0.5
130.07784	0.6
131.08553	0.8
132.05684	0.8
132.09364	2.7
145.10107	5.3
147.04416	6.4
147.05515	1.1
147.08055	9.2
147.09151	0.9
147.11678	48.8
148.07512	1.1
148.08560	0.5
148.12006	3.2
169.45453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05508	12.5
57.56675	0.8
61.72274	0.7
63.11817	0.8
64.92786	0.9
65.03926	2.4
67.05494	3.3
67.97930	0.8
69.07066	1.9
69.30287	8.2
72.21046	0.8
79.05489	7.9
81.07046	2.8
91.05479	41.8
92.05811	2.0
93.07037	4.1
98.20744	1.7
103.05469	2.9
104.06271	1.1
104.39537	0.8
105.07026	100.0
106.07377	5.0
107.08629	3.9
109.17109	0.9
117.07015	8.2
119.04951	11.9
119.08576	75.4
120.08904	3.5
123.96430	1.6
129.07043	1.1
132.09380	4.9
145.10107	5.7
147.04404	7.4
147.08035	1.9
147.11684	48.0
148.12015	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02366	0.7
54.60826	0.5
55.05505	1.1
60.47325	0.4
60.61303	0.5
64.92778	0.8
65.03933	8.6
67.05480	0.8
68.99802	2.4
71.51333	0.8
79.05485	1.4
90.61726	0.6
91.05477	93.0
92.05824	2.7
103.05463	0.8
105.03398	0.9
105.04543	0.6
105.07028	9.8
107.04923	0.7
107.08575	0.9
110.65321	0.5
115.79817	0.5
117.07014	1.6
119.04936	100.0
119.08576	12.0
120.05232	3.0
123.96443	1.2
129.03349	0.9
132.05643	0.6
145.10172	0.6
147.04408	21.4
147.05460	1.0
147.08031	4.5
147.11696	6.3
148.04794	0.6
154.44034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.75639	0.3
65.03939	11.5
65.23004	0.3
67.55903	0.3
70.95340	0.8
70.95679	0.4
91.05479	100.0
92.05805	2.5
95.04959	0.6
99.89192	0.4
105.07033	0.6
119.04936	90.0
119.08573	0.9
120.05248	2.8
129.03372	1.2
147.04404	33.4
148.04753	1.3
155.04248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03935	1.0
55.05506	2.3
59.73865	0.6
63.02377	1.7
64.92805	0.8
65.03934	13.5
66.04694	0.6
67.05492	1.2
69.07051	0.9
70.73557	1.3
76.03146	2.8
79.05483	1.7
81.07083	0.7
82.32339	0.5
84.04533	0.6
89.03910	3.4
91.05475	100.0
92.05814	2.2
93.04865	0.6
93.07044	1.3
103.05463	2.3
104.02602	0.7
104.06264	1.0
105.07025	20.6
107.08591	1.3
115.05471	0.8
117.07006	3.7
118.04148	1.1
119.04936	68.8
119.08576	23.8
120.05234	1.3
123.96485	1.2
129.03363	0.9
129.06985	0.9
132.05766	0.7
132.09326	1.3
136.87350	0.6
140.08917	0.5
145.10110	2.3
147.04401	36.3
147.08032	4.4
147.09123	1.0
147.11679	12.0
148.04787	1.5
150.03162	1.7
165.15053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.01883	0.8
55.05509	1.3
55.90361	0.7
56.05041	1.3
57.03437	0.7
58.06609	1.1
59.06129	1.0
60.04508	0.7
65.03931	4.8
69.03419	0.8
70.06586	1.3
70.52144	1.4
70.52539	1.4
72.08146	3.7
82.06585	1.8
84.04504	2.3
84.08157	0.9
86.06081	1.5
87.05537	1.0
88.07613	1.1
91.05477	68.5
95.04947	0.9
99.04437	0.8
100.04800	2.9
100.07621	1.9
103.05458	2.2
105.07018	2.5
116.05759	0.9
117.05747	6.2
117.06959	0.8
118.06535	100.0
119.04939	34.2
119.05992	0.6
119.06172	0.6
119.06773	3.3
119.08591	3.1
123.96432	1.1
128.04964	22.0
128.05916	1.1
128.07048	1.2
129.04449	1.1
129.05299	0.8
129.06631	0.7
129.10242	1.6
146.05994	72.1
147.04420	16.7
147.06340	2.9
147.07951	0.8
147.09094	0.8
153.57004	0.8
156.06390	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	146.0924
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
53.03949	0.9
55.01867	0.8
55.05243	0.8
55.05510	11.7
56.05033	5.1
56.96559	7.6
57.03435	4.2
58.06605	0.9
60.05647	23.3
61.02919	2.0
65.03951	0.8
69.03423	12.9
69.51675	3.9
70.03777	1.2
71.04981	1.5
72.08132	1.9
73.02917	2.6
74.06065	1.1
80.00271	0.7
81.03408	2.2
82.06577	34.8
83.00734	0.8
83.04967	0.9
83.06094	3.0
84.02468	1.4
84.04503	60.9
84.08131	7.7
85.02896	5.7
86.03239	2.3
86.06065	78.1
87.04465	100.0
87.06393	1.7
88.04793	1.3
91.05488	5.5
92.01273	0.7
93.01021	0.7
94.02676	1.2
97.02894	5.5
98.97584	6.6
99.04445	1.3
100.02454	1.3
100.07616	16.3
101.00860	1.0
101.01708	1.2
101.05984	0.7
101.07168	1.1
102.02345	1.1
102.04211	0.8
102.05536	1.4
103.02432	1.1
104.01282	0.9
104.07098	14.9
105.02138	1.0
110.01308	0.9
110.88953	0.8
110.97625	1.2
111.02920	1.3
111.05556	11.9
115.02416	0.9
116.98621	3.5
117.04037	0.7
118.06553	2.8
119.01911	4.4
119.04923	4.4
120.03407	0.7
121.01646	2.7
121.03500	0.7
122.02016	0.9
123.03185	0.7
125.01774	1.7
128.04965	1.0
128.07089	5.7
128.08206	8.0
128.98625	1.7
129.03972	1.3
129.06609	2.6
130.05000	17.0
130.08603	1.2
131.01927	2.8
133.03491	1.3
134.02298	1.4
135.05051	0.8
139.02600	0.9
143.01880	1.5
146.06044	6.2
146.08112	10.0
146.09258	42.8
146.99701	1.2
147.03384	0.7
147.05154	6.6
147.09497	1.6
155.01947	0.9
161.02956	2.0
163.02684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03937	2.6
55.01870	1.6
57.03422	1.9
57.18868	0.7
62.92986	3.4
67.05505	0.8
69.03429	1.8
71.04985	3.5
71.67908	0.9
79.05473	3.1
81.03403	2.1
85.02906	3.1
91.05483	11.2
97.02890	1.7
98.21565	1.3
99.04453	13.3
103.05473	2.8
105.07027	76.9
106.07337	1.5
115.05445	7.2
116.06251	1.9
117.07014	25.6
118.06555	2.1
121.96599	5.1
127.03912	2.9
128.06204	7.0
129.06996	10.8
130.07787	41.6
131.08119	2.3
143.08556	11.2
145.04985	1.8
145.06471	2.9
145.10121	100.0
146.05998	1.9
146.10429	5.5
154.30212	0.8
155.06055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11852	0.3
51.50377	0.4
52.60793	0.4
53.03938	1.1
55.01862	0.8
55.05490	0.4
57.03426	1.3
59.06117	0.5
69.03411	1.7
69.38193	0.3
70.02455	1.3
70.02871	0.8
70.06573	0.5
71.01369	0.4
71.04987	4.2
81.03413	1.4
82.06559	0.6
85.02890	1.4
85.04025	1.0
89.03872	0.4
91.05482	6.4
95.04962	0.6
97.02879	0.8
98.21491	0.5
99.03854	0.6
99.04452	7.9
103.05460	16.3
104.05798	0.7
110.06056	0.4
115.05445	17.4
116.05756	0.6
117.07010	62.3
118.06561	0.7
118.07342	2.5
118.97386	0.5
121.96600	0.9
127.03925	1.3
127.05415	7.0
128.07060	0.3
130.04027	0.3
131.04881	0.9
139.01714	0.4
144.05647	1.0
145.06474	100.0
146.06880	4.8
155.06029	41.9
156.06470	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41030	0.6
51.38342	0.6
53.03937	2.6
55.01870	1.0
57.03439	1.0
62.92990	1.2
63.02365	0.6
65.03928	1.4
67.05494	1.5
69.03420	2.4
71.04995	5.2
71.30549	1.3
73.87769	0.6
79.05489	2.7
81.03407	1.4
84.09406	0.5
85.02881	3.1
89.03414	1.0
89.03917	9.9
91.05482	19.0
92.51119	0.5
92.87203	0.6
97.02882	1.4
99.04447	10.0
103.05458	5.2
105.07031	66.4
106.07358	2.3
108.53418	0.7
115.04021	0.6
115.05455	13.3
115.06200	0.5
116.06270	4.7
117.03383	3.7
117.07021	40.2
118.06560	1.4
118.07376	1.7
121.96663	2.0
127.03922	2.3
127.05401	0.6
128.06209	6.4
129.07018	10.9
130.07788	44.5
131.08147	1.3
143.08557	10.9
143.09596	1.1
145.03902	0.8
145.04948	1.0
145.06480	8.4
145.10121	100.0
146.05994	1.2
146.10471	5.3
155.06020	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	145.0648
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
53.03946	0.6
55.01875	0.4
69.03433	0.5
70.81162	0.4
70.95388	0.8
71.04983	0.8
76.00376	0.3
81.03424	0.5
85.02898	0.7
88.44959	0.3
91.05476	6.6
92.02876	0.3
95.04964	0.4
97.02911	0.4
99.04431	2.3
103.05465	17.6
104.05799	0.9
115.05455	18.0
116.05742	0.5
117.07014	62.1
118.06577	0.7
118.07318	2.9
125.79670	0.3
126.04585	0.3
127.03944	0.4
127.05417	7.1
128.05775	0.4
131.04930	0.7
144.05650	0.9
145.06479	100.0
146.05853	0.4
146.06842	4.9
148.07028	0.3
155.06033	44.4
156.06421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0647
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
51.65248	0.4
53.03954	1.1
55.01879	0.6
57.03430	0.7
62.92976	0.5
63.73391	0.4
65.66136	0.4
69.03426	0.9
69.93156	2.2
71.04988	2.2
77.54701	0.4
81.03394	0.6
82.06567	0.4
82.39502	0.3
85.02911	1.0
89.03915	1.4
91.05475	8.0
98.20777	0.6
99.04451	3.4
102.04662	0.5
103.05463	17.3
104.05799	0.6
105.07024	8.3
115.05454	17.6
116.06297	0.6
117.07014	67.1
118.06572	0.9
118.07328	4.4
121.96662	0.7
127.03957	0.9
127.05437	6.8
128.06216	0.8
129.06989	1.1
130.07787	5.8
131.04941	1.1
143.08606	0.9
144.05708	1.0
145.06479	100.0
145.10123	9.2
146.05865	0.6
146.06848	5.9
146.10466	0.7
155.06032	43.2
156.06410	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	145.0647
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01878	0.6
57.03428	1.2
58.06603	0.3
59.66357	0.3
61.02930	0.8
62.92981	0.5
69.03427	2.5
70.06577	0.4
70.50330	1.1
71.04984	2.8
81.03419	1.3
85.02897	2.9
85.04009	0.6
89.03923	1.0
91.05472	7.6
95.04987	0.3
97.02881	1.6
98.20805	0.3
99.04449	7.1
103.05463	15.7
104.05786	0.8
105.07022	1.9
109.02872	0.4
115.05453	18.7
116.05674	0.4
117.07011	59.3
118.06542	1.0
118.07349	4.4
121.96635	0.9
127.03890	1.4
127.05428	7.4
128.04974	0.7
130.07788	1.2
131.04945	0.5
144.05688	0.8
144.07648	0.9
145.06479	100.0
145.08397	3.9
145.10094	2.6
146.05939	0.9
146.06897	4.4
155.06030	41.9
156.06392	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	145.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03939	1.2
55.01864	1.1
55.05515	0.4
56.05037	0.4
57.03439	0.8
57.10793	0.3
58.06585	0.3
58.85736	0.3
59.06114	0.4
61.02926	0.3
62.81759	0.3
62.92981	0.4
63.02341	0.3
63.14550	0.3
65.03916	0.4
65.87582	0.3
67.05514	0.4
69.03428	2.2
70.06579	0.6
71.01361	0.3
71.04988	4.7
71.06541	0.6
74.85820	0.2
81.03427	2.1
82.06580	0.6
83.01310	0.3
85.02909	2.0
85.04027	0.7
87.00851	0.4
89.03912	5.2
91.04908	0.5
91.05476	9.2
92.05796	0.3
95.04958	0.5
96.47353	0.3
97.02891	1.0
99.04450	8.8
100.04798	0.5
101.02390	0.3
101.36953	0.3
103.05465	16.6
104.05809	0.7
105.04592	0.3
105.07022	6.7
106.07371	0.4
115.05452	18.2
116.06297	0.5
117.03389	2.5
117.07012	64.0
118.06532	1.1
118.07359	3.0
121.96635	1.0
126.04663	0.6
127.03993	1.5
127.05424	7.2
128.04909	0.4
128.06242	0.6
129.06964	1.2
130.07784	4.7
131.04956	0.8
131.42970	0.3
143.08533	0.8
144.05678	0.9
145.06477	100.0
145.10110	7.4
146.05943	1.3
146.06911	5.4
146.10484	0.4
155.06032	45.2
156.06407	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	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.03922	0.2
59.93156	0.2
68.46541	0.3
71.02558	0.7
75.38434	0.2
91.05476	2.4
95.05003	0.4
103.05441	2.7
104.04933	0.3
111.12259	0.2
115.05453	6.0
116.04993	0.4
116.06278	0.4
117.05818	2.0
117.07017	18.9
118.06570	0.6
118.07314	0.6
127.05460	0.9
128.04968	1.6
128.06195	0.7
129.05716	0.3
142.06528	0.7
143.07300	14.1
144.08080	100.0
145.06528	3.4
145.08420	4.1
146.05986	0.7
155.06039	3.7
156.06442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01862	0.3
56.05017	0.3
59.06135	0.4
61.97758	0.3
69.03409	0.9
71.03329	0.7
71.05001	2.3
79.58186	0.3
81.03416	0.9
82.06569	0.4
85.02914	1.4
85.04018	0.7
86.06068	0.5
89.03922	0.5
91.05476	6.6
91.89083	0.3
95.04959	0.5
97.02883	0.5
99.04443	5.2
103.05463	15.2
104.05822	0.7
105.07017	0.6
115.05451	16.7
116.06291	0.6
117.07011	63.1
118.06521	0.9
118.07355	3.4
127.03967	0.8
127.05437	5.8
131.04907	1.0
139.01833	0.3
144.05693	0.5
145.06476	100.0
146.06854	4.8
155.06032	40.2
156.06418	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03291	0.9
53.03938	1.1
55.01852	2.1
55.05509	10.0
57.07076	10.2
59.04988	1.5
65.03947	2.1
67.05497	6.3
68.46591	0.9
69.03427	15.7
69.07053	3.0
70.06604	1.1
70.63560	3.2
71.04990	64.0
71.45962	1.1
72.05310	1.6
72.94397	0.9
73.06549	7.7
79.05485	3.9
81.07055	2.9
83.04975	7.3
83.08608	5.6
83.68484	1.3
85.02905	5.3
85.06538	26.0
85.91356	0.9
91.05488	2.2
91.08445	0.9
91.95547	1.0
97.02893	12.3
97.10167	5.3
105.07030	1.3
107.08591	16.5
111.07963	1.1
115.05444	1.6
119.01987	1.1
125.02344	12.4
125.09624	10.3
128.06216	22.3
129.07022	1.0
141.06992	1.1
143.03389	100.0
143.08534	6.0
143.10674	2.8
144.03728	2.4
144.06590	1.4
144.08054	2.1
145.06442	1.6
155.06032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68689	1.0
55.01852	2.9
55.05513	12.8
57.03442	1.8
57.07071	12.1
58.06598	1.1
58.87820	1.2
59.04984	2.1
59.06112	1.1
60.04516	1.7
62.30720	1.0
62.31115	1.1
67.05499	9.1
69.03429	12.9
69.07050	2.1
69.87836	0.9
70.06593	1.0
71.01328	1.3
71.04990	62.1
71.50764	1.2
72.05306	1.7
73.06557	7.5
79.05483	4.6
81.07050	3.3
83.01345	1.1
83.04989	7.5
83.08629	4.9
84.04477	1.0
85.02917	6.5
85.06538	24.6
89.15866	1.0
91.05480	1.4
97.02895	12.1
97.06533	1.5
97.10174	6.3
98.06023	2.0
101.07123	1.1
107.08591	16.5
109.09743	1.1
115.05439	2.2
117.07038	1.6
119.01901	1.4
125.02358	12.5
125.09625	10.2
128.06226	15.6
139.01778	1.8
143.03391	100.0
143.08543	6.1
143.10658	2.2
144.03731	2.6
144.04730	1.5
144.06511	2.5
144.08066	5.9
145.06450	1.5
151.43591	1.2
158.92062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.5
55.05509	12.4
57.03424	1.3
57.07075	11.4
59.04987	2.8
65.03939	1.6
65.29004	0.9
67.05490	5.8
69.03430	15.6
69.07050	3.9
69.75488	2.2
69.75894	4.9
71.04992	72.5
72.04515	1.9
72.05326	1.6
73.06544	7.5
77.29359	1.0
79.05475	4.5
81.07040	3.8
81.37895	0.9
83.04983	8.3
83.08633	5.8
85.02887	5.9
85.06542	28.4
91.05447	1.5
97.02894	13.3
97.06541	1.5
97.10158	7.7
98.06045	1.6
98.17928	1.0
103.05523	1.7
105.07014	1.1
107.08591	20.8
108.08891	1.5
115.05451	2.6
119.02084	1.3
125.02350	15.1
125.09619	9.5
128.06216	23.3
129.06992	1.5
139.01785	1.0
141.06924	2.4
143.03392	100.0
143.08539	10.0
143.10623	5.4
143.25529	1.0
144.03731	3.9
144.06577	1.9
144.08049	4.4
148.65294	1.0
158.88481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19844	1.6
52.87556	1.3
55.01857	2.6
55.05513	9.3
57.07070	10.8
58.06599	1.4
59.03418	1.5
59.04971	1.5
60.04513	4.2
65.03944	1.9
67.05495	7.0
69.03432	13.9
69.07064	1.7
69.35603	13.7
71.04989	58.9
71.05379	3.3
73.06542	6.7
79.05479	2.8
81.07051	2.0
83.04970	5.5
83.08611	4.5
85.02896	12.4
85.06538	22.7
97.02891	8.7
97.10164	4.4
98.06043	2.6
107.08595	15.1
108.08897	1.5
116.36549	1.4
125.02352	11.0
125.09622	5.2
126.10634	1.4
128.06232	8.7
143.03387	100.0
143.08580	1.5
144.03705	3.2
144.06566	4.2
144.10179	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05508	5.2
57.03410	0.8
57.07075	4.4
58.06585	1.8
59.04989	1.7
60.04522	2.2
63.70360	0.6
67.05492	4.3
69.03427	13.3
69.07063	0.9
70.06573	1.8
71.01364	1.0
71.04989	26.3
71.52948	0.9
71.99268	0.6
72.05322	0.8
73.02911	1.2
73.06539	2.8
79.05486	2.2
81.07042	1.0
83.01322	1.0
83.04987	3.7
83.08609	2.0
84.04484	1.1
84.08118	1.0
85.02898	12.3
85.06531	11.0
89.62814	0.6
91.05466	1.5
91.67484	0.7
97.02884	14.5
97.10150	1.9
98.06059	2.7
101.95041	2.5
107.08587	6.6
115.05424	1.1
119.96074	1.4
125.02354	10.7
125.09631	2.4
126.05476	1.3
128.06215	12.4
139.01810	1.7
143.03387	100.0
143.08572	3.9
143.10625	1.0
144.03749	5.0
144.06555	4.4
144.08047	2.3
144.10188	5.4
145.06508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
55.05512	9.4
57.07070	8.1
58.06584	2.6
58.41375	1.1
59.04988	2.5
60.04533	1.5
60.52523	1.4
65.03903	1.5
67.05510	7.2
69.03430	14.0
69.51687	6.6
70.06568	2.0
71.01347	1.8
71.04990	48.6
71.65063	1.1
72.05284	1.5
73.06561	5.7
79.05460	2.1
81.07039	1.4
83.04979	3.7
83.08618	5.1
84.04478	1.6
84.08142	2.8
85.02912	14.8
85.06548	17.8
86.06885	1.2
97.02892	9.7
97.10184	3.5
98.06029	2.6
102.05547	1.3
107.08579	10.3
125.02357	11.7
125.09622	5.0
126.05545	2.3
128.06203	5.1
140.31903	1.1
143.03389	100.0
143.08539	2.5
143.10661	3.1
144.03709	3.3
144.06555	5.7
144.08054	2.1
144.10185	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09275	0.7
55.01863	3.8
55.05515	4.8
57.03427	2.0
57.07067	4.8
58.06588	1.6
58.56831	0.7
59.04992	1.6
60.04510	3.3
64.05087	0.8
65.63395	0.8
67.01842	0.9
67.05493	2.8
69.03424	14.6
69.07063	1.5
71.01344	1.0
71.04989	29.8
71.52098	1.5
72.05296	0.8
73.06532	2.9
79.05485	1.6
81.07046	1.2
83.01335	1.2
83.04978	4.7
83.08600	3.0
84.04507	0.9
84.08134	2.3
85.02901	15.4
85.06536	10.9
96.64890	0.8
97.02880	12.4
97.10136	1.7
98.06038	3.2
107.08588	9.0
125.02350	13.2
125.09595	2.9
126.02711	0.9
126.05460	1.4
128.06206	7.9
143.03387	100.0
143.08482	1.6
144.03754	4.8
144.06557	7.0
144.07887	1.4
144.10190	13.3
155.06068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01859	2.5
55.05511	11.7
57.07075	9.8
58.06592	2.5
59.04987	1.7
60.04516	2.4
65.03941	2.4
67.05505	7.3
67.20816	1.1
69.03428	15.0
69.07066	1.7
70.06592	1.6
71.04993	62.8
73.06575	6.1
79.05486	4.1
81.07046	3.1
82.64954	1.2
83.04976	7.2
83.08625	6.4
84.08128	1.3
85.02914	13.4
85.06542	21.7
88.72265	1.2
91.05473	1.7
96.57571	1.3
97.02883	14.3
97.10143	5.1
98.06042	3.7
102.05538	1.5
105.07030	1.6
107.08588	18.5
125.02338	15.3
125.09608	6.9
126.05505	2.2
128.06219	9.3
143.03394	100.0
143.08556	2.9
144.03743	3.0
144.06537	4.5
144.10202	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05511	17.8
55.48672	2.0
57.07074	18.6
59.05001	2.7
67.05508	12.7
69.03422	12.0
69.07059	4.1
69.76117	7.9
69.76529	6.8
71.04988	100.0
73.06551	7.3
73.56890	2.0
79.05500	6.3
81.07052	4.6
83.04993	11.0
83.08617	10.1
85.02905	9.4
85.06544	36.7
91.05490	3.7
97.02893	5.0
97.10160	7.2
98.06055	3.0
107.08589	25.7
125.02358	8.6
125.09631	10.1
128.06189	11.1
143.03387	71.9
143.10638	3.3
144.06548	4.2
144.10196	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
55.05509	5.4
57.03422	2.0
57.07066	5.6
59.04986	1.3
60.04513	2.7
63.18842	0.6
67.05494	3.7
69.03086	1.2
69.03425	13.7
69.07047	0.9
70.06590	1.1
70.57794	0.8
71.04988	32.7
71.52657	0.9
73.06540	3.1
79.05486	1.2
81.04517	0.8
81.07051	0.8
83.04980	3.4
83.08608	2.7
84.04492	1.0
84.08129	1.3
85.02902	17.0
85.06539	13.0
95.06086	1.1
97.02888	10.9
97.06521	0.9
97.10155	2.8
98.06046	2.6
107.08581	9.6
115.05463	1.1
125.02357	9.5
125.09645	4.2
126.05520	1.9
128.06221	10.2
139.01801	1.3
143.03386	100.0
143.08513	1.4
143.10670	1.0
144.03740	3.8
144.04703	0.8
144.06544	6.1
144.08115	1.8
144.10156	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05510	5.8
57.03431	1.2
57.07070	6.8
58.06593	1.4
59.04990	1.2
60.04517	2.8
67.05518	4.3
69.03426	14.4
69.07060	1.6
70.06562	1.1
71.04987	38.7
73.06545	3.8
79.05484	1.9
83.04984	4.7
83.08616	2.9
84.04471	1.2
84.08151	1.5
85.02907	11.9
85.06550	15.2
91.05472	2.0
97.02895	13.2
97.10159	3.1
98.06051	2.9
107.08581	10.4
125.02353	13.0
125.03183	1.6
125.09643	4.1
126.05524	1.0
128.06200	6.6
143.03387	100.0
143.08556	2.5
144.03728	4.7
144.04739	1.0
144.06552	4.5
144.08055	1.9
144.10190	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01871	3.7
55.05511	15.0
57.03424	1.7
57.07072	13.0
58.50451	1.2
59.04996	3.1
60.04530	2.1
67.05502	10.8
69.03429	16.9
69.42692	5.2
69.43131	6.1
70.06571	1.4
71.01373	1.5
71.04992	92.0
72.05335	1.8
73.06567	7.2
79.01877	1.7
79.05479	4.3
81.04530	1.9
81.07058	2.6
83.01304	1.6
83.04981	7.8
83.08614	7.6
85.02903	12.4
85.06543	33.0
86.06876	1.9
91.05500	1.9
97.02879	11.8
97.10160	7.3
98.06023	3.0
105.06997	1.6
107.08592	19.4
119.96059	1.6
125.02332	10.7
125.09625	9.2
126.05505	2.8
128.06226	9.8
143.03392	100.0
143.08563	1.8
143.10645	2.8
144.03740	3.6
144.06570	6.4
144.08081	2.4
144.10196	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.38190	0.3
54.03872	0.3
55.01873	2.7
55.05512	1.1
56.05051	1.3
56.96568	8.1
57.03442	1.7
58.06606	0.9
58.99860	2.0
59.05016	0.4
59.06128	0.9
59.96188	0.5
60.04536	1.5
60.95859	2.3
61.02941	0.4
67.05531	0.3
68.05064	0.4
68.99824	0.4
69.03433	6.1
69.04560	0.3
69.07074	0.5
70.03807	0.4
70.06595	1.5
70.75961	0.9
70.98113	0.6
70.99859	1.8
71.01369	0.8
71.05003	0.5
71.95274	0.8
72.04533	0.6
72.08179	0.4
72.80309	0.3
73.02927	1.1
75.01061	0.4
75.35517	0.3
77.00909	2.6
79.01881	0.4
79.05507	0.4
80.05035	0.5
81.03436	0.4
81.04536	1.6
81.07076	0.5
82.99857	1.1
83.01349	1.1
83.04982	0.4
83.06109	1.5
84.01617	0.3
84.04510	1.1
84.08168	0.7
85.02899	4.4
85.06585	0.4
86.06078	1.5
87.04469	0.4
87.06871	0.3
89.00890	1.2
95.01405	0.4
95.01953	1.3
95.06086	0.8
97.02894	15.0
97.06551	0.7
97.07669	1.1
98.01336	0.4
98.03234	0.4
98.06079	1.5
98.97585	2.0
99.04404	0.3
100.02499	0.9
101.00883	19.0
101.07170	0.7
101.95039	4.6
101.97199	0.4
102.00935	1.9
102.02350	0.4
102.05547	0.6
102.96870	4.9
103.00620	0.6
103.02444	0.3
105.02107	0.4
106.02437	0.3
108.01566	1.0
108.06924	0.3
109.07666	0.6
113.02367	0.5
113.51110	0.4
115.02434	0.4
115.03938	0.5
116.98636	1.5
117.01938	0.3
118.03515	1.6
119.01923	100.0
119.96049	2.6
119.98167	0.5
120.00711	0.7
120.02013	12.6
120.03226	0.5
120.97907	5.0
121.00835	0.6
121.01642	3.6
121.02362	0.5
121.03487	0.5
122.51659	1.7
124.02476	0.6
125.02352	17.7
125.07132	1.3
126.02696	0.5
126.05600	0.6
128.01082	0.5
128.06255	0.6
128.98573	0.3
130.02832	0.4
131.01907	0.6
133.03484	0.7
134.99657	0.9
136.04547	0.7
137.02965	38.5
137.04018	1.9
137.97084	2.4
137.99303	0.5
138.03075	5.9
138.04295	0.9
138.98932	4.7
139.01810	1.0
139.02661	1.9
141.02740	0.3
142.03510	4.9
142.04543	0.2
142.96468	0.3
143.03400	42.0
143.08151	0.8
144.03662	1.4
144.06577	1.1
146.99693	0.3
149.02980	0.5
155.98167	0.8
157.00014	0.7
159.50591	0.4
160.04559	1.2
160.98836	0.4
161.02988	3.0
161.04790	1.6
162.04283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.6
57.03433	1.7
58.06638	0.4
58.99865	3.9
60.04534	2.0
68.05050	0.7
69.03441	1.8
69.04550	0.7
70.30168	1.0
70.99857	3.6
71.00143	0.3
71.35236	0.3
77.00905	5.4
80.93240	0.3
81.04538	42.9
82.05341	0.9
82.99841	1.0
83.06113	1.4
85.02901	7.8
89.00894	2.5
94.06580	1.0
95.01959	1.9
95.06087	23.6
97.02879	2.3
98.01453	0.4
99.05581	1.0
100.02463	0.7
101.00875	22.4
101.13551	0.3
102.00958	1.3
102.09209	0.7
103.02459	1.1
107.01931	0.5
107.06103	0.6
110.01415	0.5
115.02411	0.7
118.03531	0.7
119.01917	100.0
120.02010	7.2
121.02337	0.4
124.02435	0.7
125.02357	2.3
125.07108	16.4
126.05516	1.2
131.01880	0.7
133.03482	0.8
137.02951	25.0
138.03078	1.4
142.03506	4.4
143.01987	2.7
143.03389	12.9
143.08162	10.0
143.11758	0.8
144.03815	0.4
144.06529	1.7
144.10191	1.4
160.04515	0.8
161.02939	6.6
162.03064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61344	0.5
54.03467	0.9
54.81000	0.6
55.01873	1.2
56.95766	0.4
56.96568	3.5
57.03433	1.1
58.06599	4.2
58.99873	3.5
61.02919	0.9
68.05026	1.4
69.03414	1.2
69.04550	0.8
69.88499	2.3
69.88906	0.7
70.06587	0.8
70.98127	0.8
70.99861	5.7
73.02911	1.2
77.00910	5.0
78.00952	0.5
81.04541	89.9
82.04868	1.4
82.05331	1.5
82.99851	1.4
83.06110	3.3
84.08146	6.7
85.02884	2.5
89.00874	3.4
93.01853	0.5
95.01939	1.1
95.06093	49.5
95.22321	0.5
96.06393	0.7
97.02901	2.0
97.07650	0.6
98.06073	0.9
98.09703	0.9
98.20829	0.6
98.97569	1.2
99.05594	1.6
99.53564	0.4
100.02470	1.7
101.00883	31.0
102.00988	1.4
102.05525	0.8
103.02451	0.8
107.01905	0.6
107.06085	1.1
109.02848	0.8
116.98618	0.8
118.03534	1.2
119.01923	100.0
120.02021	7.7
121.03461	0.7
124.02449	1.0
125.02370	1.8
125.07114	37.1
126.07468	0.7
131.01901	1.2
133.03464	1.1
137.02962	21.9
138.03035	1.5
141.02713	0.7
142.03503	5.0
143.01953	3.4
143.03391	6.3
143.08159	17.7
144.10193	29.5
160.04581	0.8
161.02948	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	142.0863
Annotation	Arecaidine
Peak:m/z	Relative Intensity
53.03939	2.2
54.03468	1.2
55.01875	5.3
55.05507	5.7
56.05035	15.4
56.96560	2.0
57.02690	1.0
57.03440	12.1
57.04559	1.0
58.02961	3.8
58.05334	1.4
58.06594	8.5
59.04999	0.8
59.06122	16.6
59.93134	1.4
60.04523	17.6
60.30859	0.7
65.03955	1.7
67.02985	1.3
67.05499	4.0
68.05025	13.6
69.03430	12.6
69.07070	10.5
69.32104	0.7
70.06594	9.0
71.01356	1.2
71.04987	0.9
71.06118	1.8
71.07366	1.0
71.25804	1.2
72.04501	1.9
72.06892	2.7
72.08140	1.2
74.06088	3.8
75.05587	4.6
79.05489	22.1
80.05013	3.5
81.03452	0.9
81.04523	2.4
81.05787	7.4
81.07054	17.8
82.02936	20.3
82.06572	4.2
83.01351	1.8
83.03720	19.6
83.04980	4.4
83.05640	1.3
83.06104	17.3
84.04052	1.2
84.04502	12.1
84.06902	0.9
84.08156	1.3
85.02904	1.4
85.07671	6.0
86.06067	22.5
86.08434	4.3
87.06862	0.9
87.71932	0.7
94.06573	3.3
95.04967	6.0
95.06081	2.5
96.04489	49.0
96.08126	30.1
97.02891	15.1
97.04808	1.4
97.06529	10.2
97.07635	8.1
97.08311	1.1
98.06062	5.5
98.07058	0.7
99.05570	4.2
99.09239	1.5
100.01577	0.7
100.04020	1.0
100.07630	1.3
100.08717	2.3
101.00882	0.9
101.07136	9.0
101.94998	1.3
106.06551	2.8
107.04986	2.3
107.06087	2.5
109.05272	2.4
111.04435	2.0
111.05587	0.8
111.06821	5.6
112.07603	26.4
112.08755	2.6
113.06026	1.0
113.07144	1.2
113.07979	1.0
114.09167	1.8
115.08692	2.0
118.03506	1.3
118.96774	2.9
119.01905	11.6
124.07587	80.2
125.02359	17.7
125.05994	2.8
125.07107	6.7
125.07944	3.2
125.10773	1.0
126.05529	0.8
128.01143	0.9
136.04503	1.4
137.02977	4.7
142.03519	1.9
142.05006	1.2
142.08638	26.9
142.09767	23.1
143.03389	100.0
143.09053	0.9
160.04582	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.8
56.96574	3.7
57.32468	1.6
59.06121	1.9
60.04535	1.8
61.57515	1.8
63.37940	1.4
70.80990	5.1
83.06113	2.6
97.02897	3.0
98.97603	2.7
100.02473	2.7
100.97155	2.4
100.97941	1.6
101.00874	20.9
101.07195	2.0
110.01119	1.6
118.03516	11.7
118.96769	2.2
118.98212	2.0
119.01921	100.0
120.02041	2.7
124.02416	2.0
125.02386	3.3
136.04593	9.2
137.02956	32.9
142.03494	25.1
142.09760	4.4
143.03366	8.1
160.04582	13.9
161.03069	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58215	2.1
71.00505	5.2
73.39672	1.8
75.00239	2.0
88.51705	2.3
90.33224	1.8
92.35600	2.1
100.02503	3.5
101.00886	20.5
118.03510	7.8
119.01913	100.0
120.01965	2.3
136.04617	9.3
137.02948	36.4
137.49989	7.2
138.03052	2.9
142.03488	21.3
160.04573	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.2
57.03417	2.0
58.99848	2.3
69.03439	1.5
69.20265	10.2
70.99858	2.9
73.02919	3.1
77.00880	2.7
81.03415	1.3
81.04540	17.1
82.06577	1.9
82.99831	1.8
84.08122	1.3
85.02927	1.8
88.92924	1.2
89.00864	2.9
95.06089	7.6
98.97577	3.6
100.02489	2.8
100.20377	0.9
101.00873	28.4
104.32384	1.3
107.01931	1.3
118.01151	1.3
118.03496	3.5
119.01915	100.0
120.02020	1.1
124.02465	1.3
125.07108	8.8
127.60892	1.1
131.01880	1.6
136.04601	1.5
137.02956	21.3
142.03505	10.7
143.01901	1.8
143.03381	5.7
143.08183	3.7
160.04558	4.5
161.02907	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	140.0706
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02380	1.3
53.03948	19.4
53.33947	0.7
54.03477	6.8
55.01866	1.8
55.05499	2.2
55.12175	0.8
56.03764	2.4
56.05038	15.4
56.96569	7.2
57.04555	2.7
57.93562	1.8
58.02963	2.1
58.06603	1.9
59.03724	1.0
59.06135	5.1
65.03947	4.2
67.02988	2.2
67.05507	47.0
67.28193	0.7
68.05025	3.7
68.05834	0.8
69.03436	2.1
69.04553	1.3
69.07072	8.5
70.02967	0.9
70.06603	3.6
71.04970	0.8
71.06123	6.4
71.49919	0.8
71.50328	0.9
71.95271	1.4
72.04514	2.1
77.03926	3.4
79.05502	1.6
80.05019	1.1
81.03409	4.8
81.04546	5.5
81.07075	1.4
82.02965	3.6
82.03361	0.7
82.06573	1.8
83.06104	10.7
84.04499	3.7
84.08147	9.6
85.07703	1.7
93.05215	1.3
93.05782	16.5
94.06571	54.2
95.04971	51.4
95.06040	8.2
95.08593	4.1
96.04523	5.3
96.05647	11.6
96.08898	0.9
97.02903	2.3
97.04031	0.9
97.06409	4.9
97.07655	1.7
98.06134	0.8
98.07196	15.8
98.97583	17.4
99.05582	9.3
100.06414	1.3
105.04519	10.7
109.02881	1.5
112.04021	1.8
112.04763	1.6
112.07615	14.4
113.02373	3.9
113.06001	2.0
113.07126	7.0
113.07878	1.3
116.97230	3.2
116.98621	16.3
122.06033	100.0
122.07107	7.7
122.10509	1.1
123.04480	2.8
123.05553	16.7
123.06371	2.5
123.07375	0.8
123.09198	1.5
125.02358	4.9
125.04795	1.2
134.99652	13.4
140.03391	2.2
140.07068	47.6
140.08192	23.8
140.11682	1.7
141.01831	3.5
141.05579	1.4
141.06445	4.6
141.07516	1.7
141.11394	0.8
153.00737	1.3
158.01299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03420	5.5
54.17784	0.7
55.01827	2.6
55.05474	1.3
56.03716	2.6
56.03955	0.6
56.04982	14.0
56.96514	7.5
57.03383	0.8
57.04504	2.3
57.93549	3.7
58.02900	2.3
58.06557	0.9
59.06114	5.2
60.04478	0.9
65.03887	1.4
66.04246	1.0
67.02963	1.5
67.05499	3.8
67.11231	0.8
68.04974	3.4
69.03397	1.4
69.04523	1.3
69.07013	0.9
70.03748	0.7
70.06590	3.8
70.31072	2.0
71.04953	0.9
71.06108	6.6
71.95234	1.5
72.04503	1.8
79.01824	2.1
81.03383	1.4
81.04536	5.7
81.07022	1.8
82.02903	2.7
82.04173	1.3
82.06541	1.0
83.04971	0.8
83.05643	0.7
83.06099	7.6
84.04507	3.5
85.07649	1.1
94.06548	3.6
94.07371	1.6
95.01317	1.4
95.04914	2.4
95.05611	0.7
95.06093	7.8
95.08585	4.6
96.04470	2.5
96.05630	8.3
97.02889	49.7
97.06440	4.4
97.07658	1.7
98.03189	1.5
98.06139	0.8
98.07188	14.9
98.21518	1.2
98.96961	0.9
98.97575	17.2
99.05578	8.9
100.06333	0.9
106.07372	0.9
107.01314	4.6
109.02837	1.7
110.03656	5.6
111.04427	2.9
112.03948	2.0
112.04759	3.1
112.07626	1.9
113.02351	3.6
113.07106	4.2
116.97258	7.0
116.98611	18.8
121.02865	0.8
122.06075	1.5
122.07128	7.2
122.10491	2.4
123.05545	15.6
123.07994	1.0
123.09178	1.4
125.02345	100.0
126.02709	2.5
130.25285	0.8
134.99649	15.6
140.03458	1.5
140.04688	32.3
140.07083	3.0
140.08167	21.4
140.09219	1.3
140.11595	1.7
141.01822	4.2
141.05443	1.3
141.06479	4.2
143.23064	0.7
148.96214	1.2
153.00728	3.1
158.01276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
56.96565	31.9
57.97326	0.5
70.79851	1.1
70.80189	0.6
71.94885	0.8
71.95260	7.0
78.00406	0.5
80.62201	0.5
93.64632	0.4
95.06065	0.7
96.05618	0.8
98.07191	0.8
98.97581	100.0
99.97927	0.9
116.98619	76.1
117.98975	0.7
122.73325	0.4
128.04413	0.5
134.99654	38.4
135.03116	0.9
135.05032	0.7
136.00023	1.1
140.00201	2.2
140.07120	1.2
140.08168	1.4
153.00676	5.0
158.01254	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	140.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68443	0.6
50.69701	0.7
51.02355	1.3
53.00270	0.7
53.03910	0.9
54.03466	6.8
55.01847	2.6
55.05490	1.2
55.56252	0.6
56.03747	2.4
56.05036	16.9
56.96568	7.3
57.04535	2.6
57.04780	0.6
57.93540	1.9
58.02932	1.8
58.06572	1.0
59.03715	1.2
59.06126	3.9
60.04502	0.8
66.04242	0.8
67.02958	2.1
67.05473	2.5
68.05035	3.9
68.99773	0.8
69.03386	0.7
69.04523	2.2
69.07024	0.7
69.19705	0.7
70.02921	0.6
70.06564	2.6
70.66378	1.3
71.04966	0.9
71.06127	4.2
71.95251	1.6
72.04491	2.4
72.08168	0.7
79.01826	2.7
81.03387	0.9
81.04551	6.2
82.02925	3.1
82.04192	1.0
82.06561	1.3
83.05658	1.1
83.06101	12.7
84.04497	5.8
85.07639	1.7
89.05788	0.6
93.07059	0.6
94.06554	1.8
94.07364	1.3
95.01267	1.3
95.04988	1.6
95.06084	8.8
95.08607	3.2
96.04469	1.9
96.05619	10.4
96.08090	0.7
97.02888	48.5
97.06421	4.9
97.07628	1.8
98.03178	0.9
98.06120	0.8
98.07185	13.0
98.96939	1.3
98.97578	19.0
99.05579	9.1
100.06371	1.2
107.01313	4.7
109.02894	1.2
110.03652	7.0
110.07146	0.6
111.00748	0.8
111.04402	2.0
111.09209	1.1
112.03964	1.4
112.04774	1.8
112.07643	1.0
112.08588	0.6
112.70062	0.7
113.02380	3.3
113.07111	6.4
116.97322	3.0
116.98609	18.0
122.06066	1.9
122.07144	7.7
122.10503	1.4
123.05547	15.5
123.09191	1.4
125.02348	100.0
126.02615	3.0
134.99651	14.2
140.03467	2.0
140.04683	30.2
140.07066	2.7
140.08165	25.2
140.11671	2.4
141.01823	2.2
141.05423	1.9
141.06609	3.5
141.08545	0.6
153.00725	3.3
158.01283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17452	2.3
53.03932	11.1
54.03468	16.4
55.01867	18.0
55.05512	29.4
56.03766	5.4
56.05034	50.5
56.96566	28.1
57.03428	4.5
57.04546	7.5
57.07061	4.8
57.93546	7.9
58.02958	5.1
58.06585	8.0
59.03716	3.3
59.05004	26.4
59.06129	17.2
63.42745	2.6
63.59184	2.7
65.03616	4.4
65.03941	57.5
67.02975	4.6
67.05498	26.0
68.05027	12.0
68.99778	8.6
69.03423	33.8
69.04548	5.2
69.07067	32.7
70.06583	15.6
71.04977	4.0
71.06113	11.2
71.50031	3.6
72.04498	6.5
77.03896	3.3
79.01863	2.7
79.05494	26.9
80.05013	4.1
81.03391	2.7
81.04537	21.0
81.07052	21.7
82.02929	10.5
82.05315	3.8
82.06554	3.7
82.07434	2.8
83.04984	42.8
83.06094	32.4
84.04514	12.1
84.05640	3.6
84.06370	2.4
85.07652	5.9
86.92549	2.4
91.05475	14.2
93.03408	23.7
93.07041	41.5
94.06551	9.6
94.07380	4.0
95.04964	35.4
95.06078	26.9
95.08601	39.0
96.04501	6.3
96.05625	34.3
96.08147	3.3
97.02882	17.5
97.06516	64.5
97.07659	8.6
98.07188	66.4
98.97569	58.3
98.98450	24.9
99.05575	28.8
100.06321	4.0
105.04513	5.5
105.07045	16.4
110.07251	2.7
111.04440	100.0
111.08063	10.3
111.09200	4.0
112.03941	7.4
112.04730	5.5
112.07586	4.2
112.08727	14.2
113.07137	16.4
116.97301	17.1
116.98620	67.4
116.99449	4.4
119.08572	2.8
121.02859	19.0
121.03925	2.8
121.06516	5.4
121.10135	48.1
122.06042	7.2
122.07143	40.7
123.05553	43.0
123.08036	5.4
123.09142	2.6
124.08799	3.1
125.02338	28.8
134.99643	60.0
139.03914	70.3
139.04950	3.6
139.07527	10.3
139.08687	5.1
139.09772	39.6
139.11160	51.4
140.03401	7.0
140.04617	11.0
140.07112	7.6
140.08176	73.4
140.10635	2.7
140.11792	4.2
141.06557	8.2
153.00685	8.6
158.01266	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03934	1.5
54.03465	1.2
55.01863	2.4
55.05507	5.0
56.05037	3.0
56.96566	2.2
56.98660	0.7
57.03459	0.9
57.04573	0.8
57.07072	3.2
57.93580	1.0
59.04998	4.6
59.06121	1.3
65.03940	4.8
67.05499	3.2
68.05047	0.7
69.03427	100.0
69.07072	4.7
70.03757	2.3
70.25079	2.8
70.25415	0.8
71.06087	1.3
71.60675	0.8
74.06989	0.6
79.05499	4.9
81.04540	1.4
81.07053	3.2
82.02953	0.8
83.04971	13.4
83.06112	2.8
89.05170	0.7
91.05471	2.5
93.03435	2.0
93.07035	9.4
94.06574	1.9
94.07385	1.0
95.04981	4.3
95.06083	1.9
95.08595	7.5
96.05616	2.3
97.02900	2.8
97.06519	14.1
97.07553	0.8
97.10191	0.8
98.07191	7.1
98.21384	0.9
98.97572	5.5
98.98430	1.8
99.05585	2.5
103.05434	0.9
105.04495	0.9
105.07034	4.7
107.36107	0.7
111.04443	10.2
111.08090	1.7
112.08740	1.1
113.07096	0.9
116.97227	1.6
116.98586	4.5
121.02861	2.9
121.10143	13.5
122.06067	0.6
122.07138	4.6
123.05531	4.6
123.08022	1.0
125.02340	2.6
134.99629	2.4
139.03914	9.5
139.04953	1.2
139.07567	1.2
139.09834	2.2
139.11172	42.0
140.04594	0.8
140.07191	1.0
140.08176	4.9
140.11519	2.2
141.06606	0.8
151.30553	0.7
156.02846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.00310	2.1
53.03934	7.8
54.03468	4.2
55.01872	10.7
55.05513	20.5
56.05023	7.3
56.96561	14.9
57.03420	5.9
57.04539	3.1
57.07065	6.8
58.06582	3.5
59.05003	40.5
59.06113	2.4
65.03616	2.9
65.03940	29.7
66.04247	1.8
67.01852	3.3
67.05505	21.0
68.02651	1.8
68.05018	2.5
68.99797	9.1
69.03431	35.8
69.07072	24.9
69.33694	1.6
70.06580	6.0
71.04999	2.7
71.06113	5.5
71.50975	2.4
72.04469	2.5
76.20435	1.9
79.05490	26.3
81.03413	2.4
81.04552	4.1
81.07066	17.8
82.02951	3.5
83.04981	26.0
83.06084	2.6
84.04469	2.1
84.66734	2.1
86.26053	1.7
91.05474	13.3
93.03400	11.4
93.07043	50.8
94.06564	11.2
94.07346	2.0
95.04986	14.9
95.06062	5.4
95.08604	43.5
96.04505	9.5
96.05612	5.4
96.08102	1.9
97.02879	5.5
97.06528	63.8
98.07187	26.7
98.97584	23.4
98.98463	11.0
99.05563	7.4
105.07030	24.7
109.06518	4.0
110.07265	2.8
111.04440	55.9
111.08078	12.4
112.07601	3.3
113.07189	2.4
116.97221	7.1
116.98630	24.0
119.08582	4.7
121.02856	8.6
121.03994	2.7
121.10143	64.1
122.06022	6.8
122.07145	15.9
122.10461	3.4
123.04769	1.8
123.05557	12.4
123.08045	5.8
124.08846	3.4
125.02361	6.1
133.07603	2.0
134.99655	16.0
139.03902	100.0
139.07544	7.5
139.09959	4.0
139.11177	63.3
140.03346	2.7
140.04402	2.9
140.07074	4.7
140.08183	14.4
140.11610	2.7
141.06534	2.3
143.92892	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	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
50.50759	2.2
51.02393	2.0
51.93240	2.1
53.03942	22.4
54.03468	11.0
55.01870	14.4
55.05511	32.7
56.03764	4.5
56.05035	32.5
56.96565	18.9
57.03425	10.4
57.04552	5.3
57.07061	6.5
57.93561	5.9
58.02943	2.4
58.06604	2.3
59.04716	3.4
59.05002	50.4
59.06122	12.0
60.33675	2.1
65.03617	3.7
65.03938	58.4
65.78201	2.0
67.01846	3.1
67.03005	4.7
67.05503	49.7
68.02638	5.5
68.05021	5.2
68.99788	6.2
69.03426	30.3
69.04552	3.4
69.07069	39.9
69.41675	11.3
69.42104	6.8
70.06612	10.8
71.04965	4.0
71.06106	13.5
71.95256	4.0
72.04517	3.8
76.19891	2.2
77.03927	3.7
79.01858	3.1
79.05501	29.1
80.04992	4.3
81.03422	5.6
81.04546	14.9
81.07053	27.7
81.83194	2.2
82.02931	7.5
82.06569	3.6
83.01345	2.6
83.04984	41.7
83.06096	24.7
83.08650	2.9
84.04501	9.0
84.08143	8.7
91.05478	13.1
93.03404	22.6
93.04514	2.0
93.05798	7.0
93.07040	71.4
94.06568	42.0
94.07170	3.5
94.07414	3.2
95.04967	63.8
95.06073	17.4
95.08606	73.3
96.04520	4.2
96.05611	19.8
96.08118	2.3
96.08946	3.8
97.02901	9.9
97.06525	77.9
97.07628	10.0
97.10151	5.0
98.06138	2.2
98.07184	40.7
98.20698	2.6
98.97586	43.9
98.98464	15.8
99.05590	20.4
100.06336	3.4
100.59654	2.3
103.05469	3.2
105.04502	9.5
105.07035	31.2
106.07780	2.4
109.06497	4.3
110.03616	2.5
110.07294	6.2
111.04443	100.0
111.08085	16.0
111.09219	3.8
112.03984	4.5
112.04742	4.6
112.07621	11.8
112.08719	10.2
113.07145	15.5
116.97208	8.4
116.98626	38.3
119.08572	6.5
121.02869	16.0
121.04004	2.8
121.06480	3.2
121.10145	89.6
122.06030	75.1
122.07134	24.5
122.10480	6.1
123.05560	29.5
123.08067	6.9
123.09175	3.0
124.05292	2.5
124.08813	5.5
125.02341	8.8
134.99649	34.1
139.03909	71.5
139.07513	7.8
139.08661	6.5
139.09802	31.2
139.11172	76.7
139.12158	3.4
140.04301	3.5
140.07057	43.8
140.08182	45.3
140.11566	4.2
141.06596	3.3
153.00700	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.00311	0.8
53.03926	2.2
54.03468	1.6
55.01876	4.3
55.05515	8.2
56.05021	3.4
56.96354	0.7
56.96565	8.4
57.03430	1.6
57.07072	3.9
59.05004	4.8
59.06118	1.9
60.57840	0.8
65.03677	0.8
65.03946	8.7
67.05486	4.5
68.05014	1.3
68.99773	1.3
69.03429	100.0
69.07070	6.6
69.64099	5.1
70.03744	2.2
70.06574	2.4
71.06113	1.4
71.95261	1.0
79.01878	0.9
79.05488	7.0
81.04524	3.0
81.07054	3.7
82.06573	1.4
83.04972	14.9
83.06101	2.4
84.04504	1.8
91.05481	3.4
93.03414	4.8
93.07041	16.7
94.04061	0.9
94.06572	3.3
95.04964	6.7
95.06080	1.9
95.08607	9.4
96.04494	1.6
96.05628	2.9
97.02877	2.2
97.06528	18.2
97.07600	1.3
98.07191	10.1
98.20808	1.5
98.97585	11.3
98.98476	7.0
99.05555	3.1
103.05466	1.0
105.04472	1.0
105.07013	4.6
109.06567	1.0
111.04440	18.9
111.08066	3.2
112.03931	1.0
112.08720	1.5
113.07137	1.7
116.97266	4.5
116.98612	11.9
121.02837	4.9
121.06523	1.0
121.10136	16.0
122.06042	2.2
122.07138	6.0
122.10503	1.2
123.05541	7.5
125.02370	1.9
125.47436	0.9
130.87433	1.0
134.99661	9.7
139.03908	20.2
139.04881	0.8
139.07568	2.7
139.09917	1.9
139.11179	45.7
140.03415	2.5
140.07069	1.8
140.08180	8.2
140.10631	1.3
140.11586	3.1
141.06575	1.5
153.00729	2.1
156.68140	0.9
158.01186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03933	5.4
54.03455	4.1
55.01871	14.2
55.05511	16.1
56.05034	15.1
56.96563	13.3
57.03421	2.2
57.07060	2.8
57.93551	2.4
58.02943	2.6
59.04749	2.0
59.05001	21.5
65.03939	34.1
67.01859	5.0
67.02985	2.1
67.05502	13.3
68.99786	14.9
69.03425	16.3
69.07082	14.3
69.90835	6.9
69.91246	4.7
70.06576	4.3
71.01333	2.4
71.06104	4.5
71.95249	2.9
77.03899	1.9
79.05491	13.2
81.03464	1.9
81.04528	5.8
81.07064	10.6
83.04983	23.0
83.06100	8.0
84.04492	3.7
91.05476	6.9
93.03398	16.6
93.07043	28.8
95.04967	13.8
95.06076	6.5
95.08598	24.2
96.05578	6.1
97.02893	4.9
97.06516	37.9
97.07571	2.2
98.07206	14.3
98.20737	2.5
98.97575	25.5
98.98432	4.2
99.05623	5.1
105.07023	12.3
109.06498	2.7
111.04438	62.7
111.08076	5.4
112.04796	2.6
112.08690	2.8
113.07077	2.4
116.97263	3.4
116.98627	23.2
121.02866	8.3
121.03857	2.1
121.10143	44.1
122.07159	8.2
123.05558	9.9
123.08017	3.3
124.08826	3.8
125.02364	4.3
134.99657	12.0
139.03900	100.0
139.07530	3.7
139.08730	2.8
139.09810	7.4
139.11168	33.6
140.04263	4.7
140.08185	14.1
140.11526	3.1
141.06609	2.7
153.00693	3.8
155.10675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03937	1.7
55.01872	6.2
55.05508	4.6
56.05026	0.6
56.96567	2.5
59.04990	1.4
59.06123	0.4
65.03940	11.9
67.01868	1.9
67.05504	3.3
68.02648	0.3
68.99789	9.3
69.03432	5.8
69.07058	1.2
70.63778	1.1
71.01340	1.2
71.06126	0.4
72.96299	0.3
79.01862	0.5
79.05486	1.5
81.04572	0.4
81.07043	0.9
83.01340	0.4
83.04979	8.6
91.05480	1.2
93.03408	6.7
93.07046	2.8
94.06564	1.1
95.04979	3.3
95.06070	0.9
95.08617	2.0
96.04482	0.8
96.05607	0.5
96.08207	0.3
97.02879	3.7
97.06504	1.8
98.07211	2.2
98.97578	3.0
98.98478	1.9
99.05577	0.6
105.07060	0.5
111.04443	32.7
111.08076	0.7
112.04024	0.5
112.04778	1.0
112.07568	0.7
116.97220	0.6
116.98631	3.0
121.02856	2.4
121.03884	0.4
121.06515	0.6
121.10136	2.2
122.06175	0.3
122.07144	1.4
123.05579	1.9
125.02341	1.0
134.99701	1.5
139.03900	100.0
139.11192	2.7
140.03300	0.4
140.04234	3.6
140.08185	1.5
141.06570	0.4
153.00703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03677	0.3
53.03932	1.6
54.03465	0.6
55.01868	6.3
55.05510	5.1
56.05022	0.9
56.96569	2.9
57.03446	0.3
57.07061	0.7
57.93555	0.5
59.04984	1.6
59.06101	0.4
65.03939	13.3
67.01873	2.4
67.05503	3.3
68.99399	0.5
68.99786	10.2
69.03429	8.2
69.04517	0.4
69.07064	2.0
70.60689	0.9
70.61016	0.3
71.01343	1.1
71.06088	0.6
72.04510	0.4
77.72388	0.3
79.01841	0.5
79.05475	1.4
79.36414	0.3
81.03397	0.5
81.04535	1.0
81.07048	1.2
82.02929	0.4
83.01333	0.8
83.04977	10.2
83.06084	0.8
84.04491	0.6
84.05322	0.4
85.02804	0.3
86.80225	0.3
91.05465	1.4
93.03398	5.9
93.07042	3.0
94.06559	1.2
95.04958	3.3
95.06110	0.7
95.08609	2.4
96.04499	0.7
96.05636	0.6
97.02880	3.2
97.06517	3.5
98.07172	3.2
98.97575	4.3
98.98474	2.4
99.05566	1.1
105.07011	1.1
110.06044	0.5
111.04438	37.1
111.08099	1.1
111.62596	0.4
112.04010	0.5
112.04771	1.2
112.07579	0.7
116.97214	1.4
116.98627	3.9
121.02850	2.2
121.03992	1.0
121.06497	0.5
121.10126	3.8
122.06042	1.0
122.07149	2.1
123.05536	2.3
123.08037	0.5
125.02355	0.8
131.96808	0.4
134.99644	3.0
139.03897	100.0
139.07478	1.6
139.09808	0.9
139.11163	3.7
140.04236	3.6
140.07137	0.6
140.08171	2.2
153.00681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03949	3.2
55.01875	6.5
55.05510	3.4
55.93060	0.5
56.05021	1.7
56.96544	1.3
57.03430	0.6
57.04549	0.6
59.04996	2.3
59.06132	0.6
65.03619	0.9
65.03942	15.6
67.01859	4.3
67.05508	7.7
68.99791	12.0
69.03425	4.6
69.07065	1.4
70.06590	0.5
71.01336	1.9
71.06110	1.1
71.25725	1.3
79.05488	1.3
81.07053	1.6
83.04980	8.9
83.06112	1.0
93.03405	11.1
93.07048	3.0
95.04976	4.7
95.06061	1.0
95.08611	2.7
96.05627	0.9
97.02894	3.6
97.06517	3.8
98.07175	1.9
98.97604	2.5
98.98452	0.9
99.00785	0.8
105.07011	0.9
110.45125	0.5
111.04441	28.4
111.08077	0.7
112.04803	1.1
113.07084	0.6
116.98640	2.6
121.02853	2.7
121.10149	3.9
122.07150	1.1
123.05564	0.8
134.99632	1.3
135.79799	0.6
139.03900	100.0
139.09802	0.6
139.11162	3.3
140.04225	2.9
140.08199	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50726	0.6
53.00304	0.7
53.03946	2.5
54.03454	1.6
55.01870	8.2
55.05514	5.2
56.05023	1.7
56.96561	8.1
57.03418	0.8
57.04544	1.1
57.07058	0.9
57.93559	0.8
58.02943	0.6
59.04997	2.5
59.06109	1.1
62.98172	0.5
65.03938	16.2
67.01877	2.5
67.05506	5.7
68.05018	1.0
68.99792	8.8
69.03427	7.7
69.07078	3.4
69.85868	2.8
70.06579	2.3
71.01351	1.1
71.06111	1.2
71.95239	0.6
72.04437	0.5
79.05495	3.9
81.04539	1.4
81.07043	2.8
82.02957	0.8
83.04979	12.5
83.06104	1.7
84.04498	0.6
84.08147	1.0
91.05459	2.6
91.58017	0.5
92.41520	0.5
93.03403	7.4
93.07037	6.3
94.06571	5.7
94.07394	0.5
95.04961	5.5
95.06067	1.7
95.08604	4.6
96.04473	3.2
96.05602	1.3
97.02906	2.9
97.06519	6.5
97.07586	0.6
98.06068	0.6
98.07191	7.5
98.97585	9.3
98.98472	5.0
99.05576	1.6
103.05485	0.6
105.04525	0.5
105.07022	2.3
110.06035	1.1
111.04440	39.0
111.08060	1.5
112.03958	0.6
112.04765	1.1
112.07596	2.0
112.08734	0.8
113.07121	0.8
116.97291	2.4
116.98619	9.7
121.02865	3.5
121.03971	1.5
121.10138	6.3
122.06059	3.9
122.07157	3.8
123.05541	3.7
125.02370	1.1
134.99649	7.4
139.03900	100.0
139.07474	3.0
139.09773	2.9
139.11163	7.0
140.03316	1.0
140.04248	3.8
140.07065	1.9
140.08189	4.4
141.06573	0.8
153.00734	1.4
158.01256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.51605	0.9
53.00298	2.1
53.03931	4.6
54.03463	3.5
54.28973	0.9
55.01870	7.1
55.05271	1.2
55.05513	13.7
56.03774	1.4
56.05037	11.7
56.96567	18.8
57.03440	1.3
57.04551	1.4
57.93563	2.3
58.02957	0.9
58.06588	1.1
59.06116	2.9
62.74968	0.8
65.03941	76.5
66.04257	2.5
67.03002	1.0
67.05508	5.8
67.38458	0.9
68.02633	1.9
68.05014	2.0
68.99787	19.5
69.03431	7.7
69.04553	0.9
69.07059	1.8
70.06577	3.0
70.10902	4.2
71.01319	1.0
71.06104	2.7
71.95257	3.5
72.04520	1.2
79.01860	1.6
79.05494	2.4
80.04993	1.7
81.03424	13.5
81.04542	4.9
82.02953	1.3
83.04990	19.3
83.06099	7.1
84.04489	3.4
86.64993	0.9
91.05471	1.8
93.03407	11.7
93.07041	3.6
94.06565	1.8
95.04979	10.2
95.06091	6.7
96.02110	4.5
96.04510	2.1
96.05622	7.7
97.02877	2.9
97.04014	1.0
97.06487	6.0
97.07638	1.5
98.06051	1.1
98.07182	10.2
98.21666	1.2
98.97584	47.4
98.98473	5.5
99.05607	4.5
100.06332	1.3
105.04532	1.2
109.02916	1.3
110.03664	1.2
111.04442	100.0
112.04019	1.5
112.04767	3.2
112.08720	4.0
113.07137	4.7
116.97228	4.5
116.98618	49.4
121.02864	12.6
121.03988	9.2
121.10132	1.8
122.06326	1.0
122.07160	6.5
122.07935	1.1
123.05553	6.5
124.22704	1.0
125.02402	1.2
134.03000	1.4
134.99658	35.1
139.03908	34.1
139.04919	1.7
139.07605	1.7
139.08667	3.4
139.09787	7.5
139.11172	1.9
140.00209	1.1
140.03389	1.3
140.04361	1.9
140.07117	2.0
140.08165	13.4
141.06598	1.1
153.00763	5.0
158.01270	2.7
159.05287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	3-Nitrotoluene
Peak:m/z	Relative Intensity
52.49815	0.4
53.03936	0.4
54.03473	0.5
55.01870	1.5
55.05510	1.2
55.58049	0.4
56.96567	3.9
65.03944	3.0
67.04258	1.9
67.05502	1.7
68.05024	6.7
68.05854	0.5
69.03429	28.3
70.03772	0.5
70.91560	1.1
80.05015	1.2
81.07047	0.8
82.06580	11.4
82.07324	0.4
83.04987	1.4
91.05495	0.6
93.03397	0.9
93.07043	1.0
95.04995	0.8
95.08632	0.7
96.04491	100.0
96.08926	0.9
96.14232	0.4
97.02892	5.0
97.04821	2.7
98.98479	2.9
108.04470	0.5
109.71597	0.4
110.06048	5.1
111.04440	4.8
111.06361	0.4
120.04429	0.9
121.02872	0.5
136.03960	0.4
138.01724	1.6
138.05493	28.0
138.09091	0.9
138.10046	0.6
139.03922	3.3
139.05800	1.1
139.07501	0.5
139.11185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.93814	0.6
53.03947	2.2
55.05510	7.1
57.07076	11.9
65.03944	2.2
66.04711	2.2
67.05502	28.5
69.03419	0.7
69.07066	8.0
69.40850	5.8
70.83678	0.6
79.05490	13.8
81.03442	0.7
81.07054	89.5
82.07393	3.0
88.32304	0.6
90.34367	0.6
91.05478	8.8
93.07036	7.0
94.04185	17.9
95.04979	1.1
95.08604	100.0
96.08936	3.8
97.06409	1.3
107.04939	4.4
107.08572	1.1
108.09414	0.7
109.06510	5.3
109.10164	8.6
110.06068	0.9
119.08511	0.9
121.02863	12.6
122.03657	24.8
122.07269	3.9
137.02458	1.8
137.05972	53.1
137.09593	6.0
137.13248	9.1
138.05432	1.2
138.06360	4.0
152.74004	0.6
153.71315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	3-amino-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.45438	0.4
53.03937	1.3
54.03470	0.5
54.26519	0.4
55.01866	1.9
55.05512	2.2
56.96563	7.5
65.03939	5.3
67.04238	1.9
67.05511	2.4
68.02663	0.6
68.05027	6.9
68.05820	0.6
69.03427	29.9
69.77164	2.3
70.03748	0.5
75.45848	0.5
77.63764	0.5
79.01906	0.5
79.05485	1.0
80.05006	1.4
81.03413	0.6
81.07037	0.6
82.06577	10.8
82.07334	0.7
83.04983	3.4
87.41544	0.5
87.69134	0.4
91.05456	0.7
92.05003	0.7
93.03398	1.0
93.07044	1.3
93.45721	0.4
94.06561	0.8
95.04468	0.6
95.04985	1.1
95.08601	1.3
96.04487	100.0
96.08931	1.5
97.02882	6.0
97.04238	0.4
97.04816	2.6
97.06529	0.8
98.03200	0.4
98.04801	0.5
98.98461	4.2
108.04466	1.0
110.06033	6.2
111.03716	0.8
111.04438	9.7
111.08073	0.5
120.04455	1.3
121.02851	1.7
121.03931	0.9
123.04000	0.7
123.06767	0.9
123.07679	0.5
128.73972	0.4
136.03952	0.4
138.01767	2.3
138.05486	33.2
138.06406	2.0
138.09091	1.5
138.10062	1.2
139.03909	8.0
139.05820	1.4
139.07533	1.1
139.11159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03936	1.6
55.05510	5.6
57.07072	11.3
65.03951	1.4
67.05502	30.1
68.05837	1.3
69.07062	7.4
69.36590	2.9
69.37013	1.7
71.08646	1.0
74.82513	0.6
79.05487	10.4
80.06305	0.7
80.41237	0.6
81.03422	0.8
81.07053	79.6
82.07397	2.8
91.05482	3.7
93.07047	7.1
94.04188	1.6
94.06551	1.0
95.04970	1.0
95.08604	100.0
96.08928	3.8
105.04547	0.7
107.04961	2.1
107.08595	0.8
108.09406	0.6
109.06512	1.2
109.10156	9.6
110.06036	1.3
119.04890	1.0
119.08584	0.8
122.03672	1.6
122.07291	6.1
135.08081	0.7
137.02444	2.2
137.05951	3.6
137.06938	0.8
137.09605	5.9
137.13240	8.3
138.01762	1.0
138.05504	6.2
138.13635	0.5
143.55435	0.6
148.48872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03948	3.5
55.01860	2.3
55.05508	3.7
57.07080	3.0
65.03931	2.5
66.04710	2.3
67.05504	40.4
69.03434	3.1
69.04566	0.6
69.07069	3.5
70.30051	0.5
72.04516	0.8
77.03928	0.7
79.05489	9.9
81.03407	1.8
81.07053	24.6
82.06551	0.8
82.07352	0.7
91.05479	20.7
92.05803	1.1
93.06490	0.8
93.07044	7.6
94.04185	20.2
94.07814	1.2
95.04441	0.9
95.04965	7.3
95.06022	0.7
95.08607	25.4
96.05584	0.8
96.08904	0.7
96.09814	0.6
97.06399	2.3
98.04823	0.7
103.05474	2.2
104.06246	1.3
105.04465	0.7
107.04950	25.6
107.08600	2.3
108.05300	0.6
109.06511	9.1
109.10155	36.0
110.06028	0.8
110.07167	1.1
110.10437	1.3
117.07027	2.1
119.04979	1.5
119.06075	0.6
119.08575	16.2
119.09383	1.2
120.04426	0.8
120.08908	0.7
121.06494	9.9
122.03651	25.2
122.07285	100.0
123.03969	0.8
123.07615	3.3
135.08058	4.1
137.02486	5.0
137.04893	1.4
137.05983	45.1
137.09613	98.2
137.13237	1.7
138.01735	1.2
138.05481	2.8
138.06432	2.1
138.09117	0.6
138.09979	4.9
151.15697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03934	2.0
55.05507	6.7
57.07074	10.2
65.03928	2.5
66.04713	0.7
67.05502	30.3
68.05846	0.7
69.03455	0.6
69.07061	7.1
69.39255	2.4
69.39687	1.8
71.08630	0.6
79.05489	11.2
79.26518	0.5
81.03424	0.7
81.07050	79.8
82.07362	2.5
87.30492	0.5
91.05478	5.1
93.07031	7.9
94.04184	3.2
95.04992	2.4
95.08601	100.0
96.04483	0.9
96.08920	4.1
107.04945	1.8
107.08596	1.2
108.09386	0.6
109.02834	0.7
109.06510	2.6
109.10155	7.9
110.06029	1.3
119.04913	0.9
119.08554	0.5
120.04460	0.8
121.06541	0.5
122.03659	4.5
122.07269	2.7
137.02489	4.0
137.05971	9.3
137.09592	5.4
137.13242	9.7
138.01733	1.6
138.05482	3.9
138.06409	1.0
138.09102	1.2
138.13580	0.8
148.92844	0.5
159.30817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.63902	0.6
53.03933	2.4
54.32051	0.6
55.01865	1.1
55.05507	3.1
62.96417	0.6
65.03931	1.3
66.04717	1.5
67.05504	35.4
68.05848	0.8
68.89488	0.6
69.03395	1.2
69.07081	1.2
69.75330	3.7
77.03902	0.6
79.05486	5.2
81.03388	1.1
81.07054	13.4
86.09982	0.6
91.05482	12.6
93.07037	5.2
94.04178	9.4
94.07823	1.5
95.04985	4.2
95.08006	0.7
95.08604	13.1
103.05444	1.4
104.06341	0.7
107.04956	22.4
107.08602	2.2
109.06509	9.9
109.10154	42.2
110.07150	0.7
110.10522	1.7
117.07016	2.0
119.08583	13.5
121.05672	0.9
121.06503	10.9
122.03647	11.3
122.07281	100.0
123.07488	1.2
123.08073	1.2
135.08093	4.0
136.70361	0.6
137.05988	17.9
137.09612	92.7
138.01701	0.9
138.05463	0.8
138.06384	1.3
138.09932	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02376	0.4
52.75745	0.3
53.03947	2.2
55.01861	1.7
55.05510	3.0
57.07051	1.3
64.04388	0.3
65.03941	1.8
65.04229	0.3
66.04723	1.5
67.05500	33.6
68.05838	0.7
69.03429	1.9
69.04533	0.4
69.07051	2.7
71.12065	0.5
72.04517	0.4
72.28696	0.3
77.03904	0.7
79.05483	7.7
79.64110	0.3
80.06253	0.3
81.03395	1.1
81.04544	0.5
81.07050	19.2
91.05473	16.8
92.05813	0.6
93.06137	0.4
93.07040	6.4
94.04179	14.7
94.07808	1.3
95.04971	5.5
95.08598	19.5
96.04443	0.4
96.08914	0.8
96.21336	0.3
97.06408	2.0
98.04771	0.4
98.11578	0.3
103.05460	2.0
104.06250	0.6
105.04517	0.8
106.78703	0.4
107.04946	25.4
107.08565	2.0
108.05270	0.5
109.02861	0.3
109.06505	3.6
109.10147	33.3
110.06023	0.6
110.07158	1.2
110.10477	1.2
115.05444	0.5
117.07006	2.7
119.04946	1.1
119.08577	15.5
120.08907	0.9
121.02887	0.3
121.06497	8.6
122.03648	18.5
122.07277	100.0
123.03986	0.6
123.07609	4.3
135.08052	4.3
136.08401	0.4
137.02496	2.6
137.05977	31.5
137.09604	90.2
137.13100	1.5
138.01772	0.8
138.05484	1.5
138.06311	1.6
138.09949	4.0
139.07510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03947	5.3
54.03467	0.9
54.20051	0.8
55.01869	3.1
55.05502	7.5
56.03758	1.0
56.05030	1.1
57.07075	6.0
65.03938	4.7
66.04715	4.8
67.05502	59.2
68.05019	1.6
68.05829	1.4
69.03415	3.5
69.04562	1.9
69.07065	5.8
71.20930	1.7
72.04513	1.3
77.03916	1.5
79.05025	0.7
79.05492	16.3
81.03407	4.1
81.04546	4.7
81.07050	64.7
82.06580	2.0
82.07381	1.9
83.06098	1.3
91.05481	24.9
92.05000	0.9
92.05830	1.4
93.07034	12.4
94.04181	34.3
94.06572	1.3
94.07834	1.9
94.29073	0.8
95.04471	1.4
95.04978	10.2
95.06087	1.3
95.08601	71.3
96.05618	2.0
96.08901	2.2
97.06413	7.9
97.07661	1.6
98.04778	2.2
103.05453	2.5
104.06287	1.0
105.04520	1.0
107.04948	23.0
107.08601	3.0
109.06520	9.2
109.07639	1.0
109.10150	44.0
110.06020	1.2
110.07177	6.6
110.09632	0.8
110.10455	1.7
111.05573	2.5
117.07006	2.1
119.04982	2.1
119.06000	1.1
119.08575	16.1
120.05608	0.9
121.06494	9.7
121.07455	1.1
122.03642	45.9
122.07279	99.5
123.07603	4.2
135.08055	3.2
137.02390	9.7
137.03552	2.0
137.05971	70.5
137.08299	4.6
137.09604	100.0
137.13203	5.3
138.01758	1.2
138.05466	2.8
138.06398	4.6
138.09071	1.8
138.10028	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.41216	0.3
51.02369	0.4
53.03937	2.4
55.01867	0.8
55.05510	2.6
55.20286	0.3
57.07072	1.2
65.03930	1.8
66.04727	1.3
67.05502	35.4
68.05846	0.7
69.03436	1.8
69.04556	0.6
69.07072	2.4
69.55737	2.0
77.03943	1.0
79.05486	6.2
81.03419	1.4
81.04580	0.6
81.07052	17.2
82.07397	0.8
91.05476	16.7
92.05779	0.7
93.07036	5.8
94.04178	10.2
94.07835	1.9
95.04459	0.6
95.04977	5.4
95.07990	0.8
95.08604	16.8
96.04484	0.8
96.08930	0.5
97.06390	1.4
98.04815	0.6
98.21006	1.2
103.05467	2.0
104.06269	0.9
105.04527	0.8
107.04948	22.4
107.08565	2.1
108.05257	0.5
109.06509	2.5
109.10150	36.1
110.07162	1.3
110.10490	1.3
115.05493	0.6
117.06988	2.2
119.04944	0.9
119.06023	0.4
119.08573	13.8
120.08900	0.4
121.06503	10.2
122.03655	15.4
122.07280	100.0
123.03982	0.4
123.07619	4.2
135.08040	4.2
137.02487	1.8
137.05977	23.2
137.09608	91.3
138.05479	0.9
138.06438	1.2
138.09947	5.0
139.07518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67292	1.2
53.03933	4.1
55.01857	3.3
55.05497	4.1
57.07066	4.2
64.51259	1.0
65.03934	3.5
65.25982	1.2
66.04729	5.8
67.05136	1.9
67.05501	36.9
68.74446	1.1
69.03421	2.2
69.04545	1.9
69.07063	2.8
69.76704	2.8
69.77120	3.5
72.04504	1.4
74.68988	1.1
79.05495	11.0
80.05815	2.0
81.03429	2.8
81.04515	1.8
81.07055	31.2
91.05480	19.6
92.05818	1.7
93.07033	7.9
94.04186	45.8
95.04459	1.2
95.05003	6.2
95.08601	32.3
96.04497	1.9
96.05683	1.4
97.06397	5.0
103.05447	1.7
107.04957	18.0
107.08591	1.3
109.06513	6.5
109.09396	2.0
109.10152	32.4
110.07146	4.4
111.05585	1.1
117.07068	1.5
119.04974	1.1
119.08579	11.6
120.08926	1.6
121.02846	3.1
121.06493	6.5
122.03646	64.2
122.07281	77.0
123.03968	2.6
123.07646	3.4
125.80794	1.2
135.08038	3.8
137.02423	4.5
137.05977	100.0
137.09610	81.6
137.13266	3.6
138.05469	3.2
138.06406	5.4
138.09074	1.5
138.10022	3.5
157.19402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02365	1.1
53.03946	4.4
55.01852	1.9
55.05518	3.6
57.07065	1.4
65.03942	2.4
66.04713	2.7
67.05501	37.8
68.05051	1.0
69.03416	2.1
69.07049	1.9
70.05482	4.2
71.82211	0.8
72.04510	0.7
75.16575	0.7
77.03904	1.2
79.05489	8.0
81.03424	1.3
81.04512	1.8
81.07050	19.2
82.06527	0.7
91.05475	19.5
92.49225	0.8
93.07045	7.3
94.04183	17.0
94.07842	1.0
95.04965	8.1
95.06109	1.0
95.08601	17.6
96.05656	0.8
96.08868	0.9
97.06386	2.9
97.16360	0.8
97.31547	0.8
97.35340	0.7
103.05463	2.4
104.06240	1.5
107.04217	1.2
107.04949	24.0
107.08594	3.4
109.06517	8.2
109.10150	41.6
110.07169	2.9
110.10449	1.0
111.05539	0.9
117.06995	2.1
119.04973	2.0
119.08586	17.0
119.09439	0.6
120.21198	0.8
121.06492	12.2
122.03647	24.8
122.07278	100.0
123.07616	4.5
135.04413	0.8
135.08017	5.6
137.02444	1.9
137.03558	0.8
137.05974	47.6
137.09604	97.6
138.05466	2.0
138.06386	2.0
138.09029	0.8
138.09981	2.4
139.07538	0.9
154.30121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03930	5.4
54.03460	2.1
55.01858	3.6
55.05515	9.9
55.20684	1.2
57.07077	3.2
61.94630	1.2
65.03931	5.4
66.04707	5.2
67.05505	68.4
68.05016	1.4
68.05821	2.7
68.96608	1.1
69.03423	3.6
69.04529	2.3
69.07068	8.1
69.25584	5.7
69.26005	5.9
72.04510	2.0
77.03905	2.3
79.05495	17.5
80.06257	1.2
81.03407	4.1
81.04521	5.5
81.07051	50.1
82.07401	1.2
83.06113	2.4
91.05476	27.0
93.07055	12.3
94.04182	45.7
95.04461	1.6
95.04975	11.9
95.08604	50.3
96.04501	2.0
96.05586	2.0
97.06400	10.4
97.07665	2.1
98.04768	1.8
103.05415	1.3
105.06985	1.6
107.04955	17.9
107.08580	4.7
109.06518	20.9
109.09381	2.1
109.10153	43.3
110.06023	1.2
110.07156	7.5
111.05578	4.2
117.06983	2.7
119.04950	2.2
119.08569	14.0
120.05560	1.6
121.06493	9.0
122.03647	64.1
122.07280	71.3
123.03957	2.4
123.07600	2.6
135.08049	2.3
137.02454	7.7
137.05977	100.0
137.08231	3.8
137.09616	88.5
137.13242	2.3
138.01735	2.1
138.05449	5.7
138.06425	4.6
138.09105	1.9
138.10101	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03941	7.4
54.03473	1.1
55.01873	5.5
55.05511	10.4
55.05746	1.6
57.03447	1.3
57.07068	2.3
65.03937	5.1
66.04710	4.2
67.05502	79.4
68.05846	1.7
69.03422	3.7
69.07052	4.4
71.27625	2.0
71.27949	1.2
72.26637	1.0
77.03915	1.3
79.05029	1.1
79.05490	19.4
80.06268	1.3
81.03423	5.6
81.04533	3.2
81.07052	46.5
81.07537	2.3
83.04968	3.7
83.06131	1.3
84.14645	1.0
91.05478	34.1
92.05807	1.9
93.07045	12.0
94.04183	32.5
94.07801	2.5
95.04976	19.0
95.08605	39.2
96.05665	1.9
97.06425	4.8
99.51762	1.1
100.58432	1.2
103.05446	1.6
105.04520	2.1
107.04951	25.7
107.08600	7.1
108.05730	1.8
109.06515	54.0
109.10155	56.8
110.07063	3.3
110.10437	1.8
111.05546	1.7
117.07013	4.3
119.04958	1.3
119.06043	1.8
119.08574	18.6
121.06509	7.7
122.03648	44.1
122.07282	85.0
123.07586	2.9
135.08032	4.1
137.02417	1.7
137.05978	65.0
137.09613	100.0
137.13228	2.3
138.06429	2.6
138.10013	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.6
53.03953	1.9
54.03469	0.9
55.01863	0.7
55.05509	0.6
56.03764	0.4
56.05027	0.4
57.07066	0.5
65.03930	2.5
66.04719	7.2
67.05503	5.6
68.04987	0.5
69.03421	0.6
69.04558	1.0
70.02969	0.4
70.06234	0.5
70.76379	1.0
72.04504	0.3
77.03927	0.9
79.05488	6.0
81.03423	0.6
81.04535	3.5
81.07053	7.3
81.51392	0.4
82.06554	0.7
83.06096	1.1
91.05477	9.1
92.04953	0.5
93.04486	0.5
93.07024	1.8
94.04181	54.5
95.04491	1.3
95.05032	2.2
95.08602	4.5
96.05625	1.0
97.04012	0.4
97.06398	3.7
97.07652	0.6
98.04802	0.5
105.03371	0.8
107.04958	2.1
109.06532	2.9
109.07593	0.5
109.10144	2.3
110.05984	0.4
110.07175	3.3
111.05571	1.7
119.04927	0.6
119.08521	0.7
120.05584	0.6
121.07652	0.5
122.03642	67.3
122.07246	1.9
123.03979	2.2
137.02409	1.7
137.05969	100.0
137.09540	3.2
138.01744	0.8
138.05475	0.7
138.06375	4.8
138.10216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.6
53.03948	1.3
54.03469	0.3
55.01876	0.8
55.05506	0.6
57.07077	0.5
59.84463	0.3
65.03941	1.7
66.04723	7.0
67.05505	7.1
68.05866	0.4
69.03420	0.4
69.07046	0.8
71.21398	0.7
77.03928	0.9
79.05499	5.3
81.03419	0.6
81.07059	6.4
91.05482	6.3
93.07034	1.6
94.04185	44.6
95.04482	0.8
95.05002	2.5
95.08600	4.6
97.06416	0.8
105.03374	0.8
105.04524	0.5
107.04942	3.5
107.08557	0.5
109.06528	1.4
109.10157	4.9
117.07009	0.6
119.08604	2.3
121.06500	1.0
122.03648	64.5
122.07283	7.4
123.04006	2.5
123.07623	0.4
135.04422	0.8
137.05977	100.0
137.09587	8.9
137.13278	0.5
138.05392	0.4
138.06323	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	0.3
53.00300	0.3
53.03955	1.8
54.03463	0.7
55.01861	1.0
55.05506	1.2
56.05046	0.4
57.07082	0.6
65.03930	2.0
66.04718	6.5
66.05074	0.3
67.05499	5.3
68.05019	0.7
69.03404	0.5
69.04537	1.3
69.07058	1.0
70.02952	0.5
70.47763	1.0
72.04533	0.4
77.03943	0.5
79.05492	5.8
79.05964	0.4
80.05004	0.5
81.03426	0.9
81.04540	3.2
81.07055	9.2
82.06590	0.8
82.07374	0.4
83.06113	0.9
91.05476	7.2
93.07034	2.7
94.04182	47.5
94.06574	0.6
95.04478	0.9
95.04969	2.4
95.06129	0.6
95.07987	0.6
95.08601	11.8
96.04494	0.4
96.05607	1.0
97.03991	0.4
97.06384	2.9
98.04790	0.7
105.04525	0.5
107.04958	2.1
107.08563	0.4
109.06524	2.2
109.07610	0.6
109.10149	1.6
110.06036	1.0
110.07172	3.0
110.07899	0.5
111.05567	1.4
119.04977	0.8
119.08591	0.7
120.05590	0.8
121.06516	0.3
122.03644	64.0
122.07268	1.5
123.03955	2.0
127.01734	0.3
135.04442	0.8
137.02414	1.3
137.05971	100.0
137.09558	3.3
137.13246	1.2
138.05440	1.0
138.06386	4.9
138.09111	0.8
138.10161	0.6
150.47285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.6
53.03955	1.6
54.03468	0.9
55.01870	1.2
57.07065	0.4
64.92083	0.3
65.03930	2.3
65.50726	0.4
65.59034	0.3
66.04716	6.4
67.05505	3.6
68.05032	0.6
69.03413	0.6
69.04540	0.8
70.07368	0.3
71.03307	0.6
71.03629	0.4
71.88477	0.3
72.04509	0.5
77.03934	0.7
79.05489	5.2
80.05838	0.4
81.03403	0.8
81.04533	4.0
81.07056	5.9
82.02955	0.3
82.06564	0.9
83.06093	1.2
91.05476	5.0
92.05025	0.5
93.07043	1.6
94.04181	43.8
95.04483	0.9
95.04972	2.6
95.06093	0.4
95.08607	4.6
96.04449	0.4
96.05613	1.2
97.04016	0.4
97.06390	3.4
97.07671	0.9
98.04766	0.6
105.03337	0.8
107.04960	2.1
109.06512	1.8
109.10146	1.3
110.07168	3.8
110.07894	0.5
111.05556	1.7
119.04916	0.8
119.08511	0.4
120.04477	1.5
120.05569	1.2
121.07642	0.4
122.03640	66.1
122.07249	0.9
123.03974	2.5
136.72165	0.3
137.02542	1.8
137.05968	100.0
137.09589	2.0
138.05414	0.8
138.06393	4.8
138.10225	0.8
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
53.03938	2.2
55.01874	1.6
55.05502	1.8
57.07067	1.6
65.03928	3.4
66.04718	8.9
67.05502	8.9
68.57835	0.5
69.03428	0.8
69.07066	1.5
69.53954	4.5
77.03955	0.9
79.05495	8.7
81.03405	1.8
81.07055	17.8
91.05481	12.5
92.05005	0.7
92.05848	0.9
93.07040	3.1
94.04186	55.3
95.01365	0.6
95.04449	0.7
95.05006	4.6
95.08610	17.6
96.08894	0.6
105.04488	1.3
107.04966	3.6
109.02888	0.9
109.06503	4.8
109.10155	3.9
110.06040	1.1
110.07156	0.8
119.04961	1.4
119.08563	1.6
121.06435	0.6
122.03648	69.3
122.07269	6.6
123.03975	2.9
137.02504	4.8
137.05975	100.0
137.09602	8.2
137.10637	1.0
137.13245	2.2
138.01726	1.7
138.05415	4.4
138.06409	3.8
138.09047	1.0
152.11485	0.7
155.44806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.5
53.03938	1.8
55.01871	1.0
55.05502	1.1
57.07072	1.8
61.48648	0.4
61.69242	0.5
65.03934	1.7
65.50043	0.5
66.04723	7.7
67.05495	6.6
69.03435	1.1
69.07064	1.1
69.22819	5.0
77.03883	0.5
79.05489	6.7
81.03403	1.1
81.06591	0.9
81.07055	13.7
81.07530	0.7
91.05479	6.9
93.07058	2.3
94.04182	45.5
95.04449	1.0
95.04607	0.6
95.04975	2.7
95.08599	13.7
105.03368	0.7
105.04570	0.6
107.04939	2.3
107.08606	0.5
109.06511	2.9
109.10140	2.8
119.04961	0.9
119.08585	0.7
120.04426	0.8
121.02890	0.4
121.06494	0.8
122.03642	63.9
122.07259	3.5
123.03973	1.6
125.68822	0.5
127.29285	0.5
135.04375	0.8
137.02539	4.0
137.05969	100.0
137.09576	5.4
137.13248	1.7
138.01735	1.0
138.05467	1.7
138.06389	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.6
53.03946	1.1
55.01868	1.0
65.03937	1.7
66.04723	7.5
66.05078	0.4
67.05515	1.2
69.03437	0.5
69.07069	0.2
74.51932	0.2
77.03938	1.0
79.05490	4.4
81.03418	0.2
81.07050	2.7
91.05489	3.8
93.03382	0.2
93.07041	0.4
94.04185	49.1
95.04459	1.4
95.05049	1.3
95.08604	1.6
98.21513	0.5
105.03401	0.6
105.04496	0.5
105.86986	0.2
106.12250	0.2
107.04957	1.9
109.06532	0.8
111.04440	0.4
122.03645	68.1
123.03976	3.0
135.04419	0.9
137.05974	100.0
138.05379	0.4
138.06323	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.11952	0.3
53.03940	1.2
55.01866	0.7
55.05504	0.9
57.07063	0.8
65.03941	3.9
66.04716	1.7
67.05499	6.0
69.07075	0.7
69.38882	3.5
69.39233	0.6
79.05074	0.6
79.05492	8.4
81.03414	0.9
81.07055	20.0
82.07385	0.5
91.04908	0.8
91.05480	16.1
92.05808	0.8
93.07039	1.5
94.04184	20.5
95.05003	2.1
95.08607	9.4
96.04498	0.5
97.06380	1.3
107.04954	13.0
109.02837	0.4
109.06511	9.9
109.10152	1.7
110.07157	0.7
111.04456	1.2
119.04911	0.5
119.06120	0.8
119.08527	0.5
121.02864	38.9
122.03659	25.5
122.07270	3.4
123.03944	0.7
123.06806	0.4
137.02441	1.5
137.05972	100.0
137.09575	4.9
137.13248	0.8
138.01837	0.5
138.05481	0.6
138.06340	4.7
138.09126	1.9
138.10077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	7.1
55.05516	6.0
58.12399	1.2
60.33157	1.3
65.03934	4.4
67.05499	3.3
68.05043	1.6
69.07066	2.0
70.97440	2.6
70.97775	1.3
77.03930	2.5
79.05491	24.3
81.07035	2.7
89.03898	1.9
91.05482	88.6
92.05802	1.6
93.07041	40.0
95.04960	9.9
101.04134	1.5
103.05454	7.7
104.06232	5.6
105.04531	2.3
105.07033	39.3
107.04935	5.5
107.08593	76.1
108.08929	3.7
109.06537	8.3
115.05448	5.6
117.07034	14.4
119.06068	4.9
119.08582	100.0
120.09413	23.1
133.10126	4.6
135.04416	8.8
135.08081	8.9
135.11688	67.7
136.02155	23.1
136.05194	1.3
136.06183	4.5
136.07584	1.5
136.08565	1.5
136.12064	2.3
137.09615	7.2
147.09145	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
54.94791	0.1
56.96555	0.4
57.03428	0.2
58.01906	0.1
61.02881	0.1
67.01892	0.1
67.02945	0.3
70.87065	0.3
91.05473	0.6
92.02478	0.5
94.04046	3.5
94.44392	0.1
94.72992	0.1
100.02454	0.4
101.00821	0.1
108.08107	0.1
109.01130	0.1
109.05117	0.5
112.05079	0.4
113.00865	0.3
117.03977	0.2
119.02102	0.2
119.03543	9.3
119.04912	0.3
120.03931	0.2
131.01894	2.0
134.06061	0.1
136.06174	100.0
137.04585	6.3
137.06575	2.1
138.04890	0.2
149.02959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.93352	0.7
53.03950	5.4
55.01864	1.9
55.05513	10.5
65.03925	2.3
67.05491	3.2
68.05024	1.1
69.07053	3.3
71.43346	1.4
77.03914	1.5
79.05492	23.7
81.07050	4.5
89.03909	2.5
89.64910	0.7
91.05479	49.6
92.05793	1.1
93.07038	53.6
94.07334	1.3
95.04963	9.4
95.06019	0.7
95.08577	1.2
96.06879	1.0
98.00736	0.7
98.20804	0.7
105.04485	2.3
105.07028	23.1
107.04942	3.6
107.08588	100.0
108.08909	3.5
109.06512	8.2
115.05457	2.0
117.07017	2.7
119.06062	3.2
119.08566	11.0
120.09380	4.3
133.10086	1.2
135.04413	4.8
135.08058	11.5
135.10721	1.4
135.11687	21.6
136.02165	8.8
136.06172	2.6
136.08575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	9.6
55.01876	1.8
55.05511	9.4
57.07047	1.0
59.02891	1.0
65.03928	3.6
65.93779	1.0
67.05499	5.4
68.05025	1.9
69.07048	2.7
69.82298	2.8
69.82713	3.7
75.23943	0.9
77.03924	1.7
79.05496	32.9
81.03404	0.9
81.07064	5.2
89.03913	9.4
91.05479	61.9
92.05788	2.0
93.07043	64.1
94.07391	1.6
95.04983	12.7
96.06893	1.2
98.20840	1.9
103.05473	3.3
104.06251	2.3
105.04526	3.3
105.07030	27.1
107.04962	9.3
107.08592	100.0
108.08923	4.0
109.01091	1.8
109.06543	7.1
109.07655	2.2
115.05434	2.3
117.03378	4.0
117.07025	5.9
119.06087	3.8
119.08584	33.7
120.09381	9.1
133.10097	2.9
135.04430	18.2
135.06534	1.1
135.08067	10.7
135.11693	36.6
135.12740	1.9
136.02164	14.8
136.05226	1.4
136.06189	5.8
136.07141	0.8
136.08649	2.8
136.12041	1.9
137.09633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03946	7.8
54.68755	1.0
55.05512	10.1
57.07057	1.2
63.02362	1.0
65.03914	2.8
66.09483	0.8
67.05486	2.7
69.07047	3.7
69.55408	3.0
69.55831	3.6
77.03922	1.2
79.05493	23.6
81.07042	3.7
91.05477	48.0
92.05804	1.8
93.07040	64.8
94.07353	2.2
95.04967	10.6
103.05451	1.3
105.04527	3.3
105.07030	21.3
106.90739	0.8
107.04938	3.7
107.08588	100.0
108.08915	4.2
109.06510	7.7
117.06999	2.4
119.06066	4.5
119.08597	11.4
120.09325	3.8
121.79890	0.9
130.49988	0.8
133.10106	1.0
135.04388	3.6
135.08058	2.3
135.10701	1.8
135.11676	23.1
136.02165	8.7
136.06178	1.6
136.07516	1.3
136.08664	1.0
136.12015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02361	1.5
53.03944	10.8
55.01856	2.6
55.05279	0.7
55.05507	9.9
55.95685	0.6
57.07063	0.9
65.03931	4.4
67.02966	0.9
67.05494	5.7
68.05003	3.1
69.03406	0.7
69.07063	4.2
71.52055	0.7
71.52436	0.9
77.03900	1.6
79.05488	39.0
80.04993	0.8
80.05793	1.3
81.03391	1.1
81.07046	5.0
82.06606	0.7
83.03473	0.6
89.03908	7.3
91.05473	57.1
92.02621	3.5
92.05806	1.8
92.06297	1.2
93.05800	1.9
93.07038	55.8
94.04108	0.8
94.07352	1.4
95.04962	19.6
95.06062	1.9
95.08559	0.7
96.06855	2.2
102.04527	0.7
103.05459	2.6
105.04504	5.4
105.07028	23.9
106.07298	0.8
107.04956	14.4
107.08585	100.0
108.08208	0.9
108.08899	4.0
109.01116	3.5
109.06509	9.7
109.07637	2.5
115.05449	6.2
117.03371	2.0
117.07032	5.4
118.06531	1.6
118.81950	0.6
119.03493	0.7
119.06068	4.4
119.08563	11.5
120.05689	1.0
120.09354	4.0
124.05241	0.8
133.10136	1.2
135.04419	25.6
135.05446	1.4
135.06543	1.0
135.06920	0.8
135.08051	19.1
135.11688	25.2
136.02156	45.8
136.03903	1.8
136.05031	1.8
136.06161	8.1
136.07538	2.9
136.08665	3.9
136.11125	0.9
136.12071	0.7
146.30600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01866	10.7
56.05039	3.9
56.96571	12.8
57.03434	42.4
58.06601	9.5
58.99585	2.1
58.99859	7.6
59.04992	3.6
61.02922	3.2
65.52183	2.3
68.02633	3.5
68.05000	1.9
68.98287	2.6
69.03430	16.9
70.06583	4.7
70.99857	2.4
71.01333	2.2
71.04987	19.5
71.50223	3.9
72.04511	2.7
72.08158	27.2
72.52952	2.8
73.02914	60.2
74.02441	25.1
74.03262	2.6
74.06071	5.4
75.01889	2.0
76.07638	4.0
77.00903	7.5
78.52955	5.4
79.02154	4.3
79.05482	7.4
79.51929	2.6
81.01897	4.0
81.03413	8.7
82.01434	7.0
82.99860	3.7
83.00768	1.9
84.52941	5.9
85.02906	18.8
85.51864	1.9
86.03699	2.0
86.06071	5.0
86.52681	9.0
88.02676	30.8
88.04008	11.2
88.07643	3.4
88.52710	4.0
89.00839	4.1
89.03905	4.3
90.09184	23.5
90.52967	2.3
91.05482	2.6
92.52676	2.6
93.01880	14.1
93.53480	10.6
95.04967	3.1
95.53201	3.2
97.02854	4.1
98.06052	8.2
98.52670	2.9
98.97573	2.0
99.04450	6.0
99.53484	4.6
100.02486	34.1
101.00877	36.6
101.02610	4.2
102.00967	5.1
102.02404	27.1
102.09165	2.8
102.52519	5.2
103.00598	2.0
103.02378	2.4
105.00391	2.5
106.06557	5.5
107.04977	3.5
109.02900	5.6
111.02932	34.8
111.04183	2.4
111.53007	5.3
113.00864	8.4
113.53188	7.3
115.02416	4.7
116.07033	2.0
118.01108	4.6
118.03507	19.1
119.01917	100.0
119.03600	3.6
120.02011	11.8
120.03419	8.7
121.01628	8.0
122.53712	8.2
123.03906	2.9
124.02436	14.1
128.01955	2.9
129.03957	2.2
131.01913	38.7
131.54233	6.0
132.01999	6.3
133.01588	2.7
133.03433	4.8
134.06032	17.3
134.06950	3.1
134.08112	2.9
134.11763	55.7
135.04424	5.5
137.02956	14.9
138.03113	2.4
141.02701	3.4
142.03491	96.2
143.01906	4.7
143.03633	14.8
144.03244	5.6
145.03461	7.2
147.01414	4.2
147.05025	2.4
149.02934	4.7
154.03456	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93971	4.0
53.03950	7.0
55.01860	12.9
55.05517	4.7
56.96564	24.3
57.03438	34.3
58.03762	5.6
58.99884	4.9
59.06123	4.7
60.04519	11.9
65.03929	5.9
69.03423	17.4
71.38451	9.4
73.02913	32.5
75.05600	13.2
77.00905	4.2
79.05491	30.7
81.03416	8.6
82.01445	6.7
85.02914	12.5
86.52700	22.9
87.05606	20.3
88.02689	22.1
88.51704	6.2
89.51559	4.3
91.05461	22.7
93.01904	10.3
93.04546	6.1
93.07031	13.9
93.53474	15.5
95.02003	4.0
95.04967	14.5
95.53174	5.8
98.97593	5.3
99.53465	4.6
100.02473	52.0
100.46213	4.2
101.00874	23.2
101.02618	4.2
101.51498	4.0
102.00927	4.8
102.02364	19.3
103.02444	6.7
105.04494	5.0
105.07018	7.6
106.06600	7.7
106.07353	11.5
107.04951	23.1
107.06088	10.4
107.08578	22.0
109.02937	5.1
111.02922	31.2
113.00929	6.8
113.53151	5.3
115.02417	5.7
118.03531	52.9
119.01921	100.0
119.03561	5.1
119.08553	5.8
120.02056	13.1
120.03345	11.4
120.04189	8.6
121.01622	15.8
121.02882	4.4
122.53786	7.5
124.02430	7.0
128.97813	6.5
130.03471	6.0
131.01863	35.3
131.53221	4.5
131.54163	7.7
134.03767	6.4
134.04834	5.6
134.05994	17.0
134.07132	18.0
134.10504	6.7
134.99707	5.1
135.04407	25.6
135.05397	7.9
135.06610	6.5
135.08012	10.9
135.11711	10.0
136.04602	6.1
137.02943	38.3
137.50002	13.1
137.98363	9.2
138.00093	8.0
138.03006	6.7
139.02684	7.1
141.05090	6.4
142.03497	70.1
143.03658	14.3
144.03255	6.0
145.03445	9.5
147.05028	12.5
149.02966	9.3
154.03508	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.06712	0.4
51.20152	0.5
53.03944	1.4
55.01870	0.6
55.05511	4.4
65.03935	1.5
67.05495	1.5
70.71621	1.4
77.03936	0.7
79.05501	7.1
80.28730	0.5
87.70521	0.4
91.05482	37.1
92.05804	2.1
93.07040	5.3
95.04958	1.7
103.05459	4.3
105.03406	2.6
105.07030	100.0
106.07318	3.8
107.08606	1.0
115.05455	5.0
116.06292	0.9
117.07021	5.4
118.07809	6.1
131.08559	8.7
133.02856	1.5
133.06500	3.5
133.10129	55.8
134.05986	1.0
134.10461	3.0
139.00175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03942	2.6
55.01851	0.5
55.05511	4.8
65.03940	1.0
67.05495	1.4
67.29488	0.5
71.11963	0.9
77.03915	0.7
79.05490	9.5
87.42937	0.5
91.05478	33.7
92.05772	0.8
92.06300	0.9
93.07034	7.5
95.04972	1.9
103.05472	5.5
105.03383	1.0
105.07026	100.0
106.06655	0.7
106.07323	3.3
107.08573	1.1
115.05453	5.8
116.06248	1.8
117.07008	7.8
117.94885	0.5
118.07805	7.8
119.08135	0.5
129.06982	0.9
131.08563	11.9
132.08936	0.6
133.02817	0.4
133.06497	4.2
133.10124	57.9
134.10471	2.8
134.17984	0.4
145.44382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02369	0.4
53.03941	1.8
55.05510	3.0
60.50864	0.2
65.03934	0.9
67.05492	0.7
69.54718	1.3
77.03928	0.7
78.04720	0.2
78.97646	0.2
79.05488	8.6
81.51115	0.2
91.05476	23.8
92.05754	0.9
92.06292	0.5
93.07040	5.9
94.07349	0.4
95.04966	2.0
103.05466	4.8
105.07024	63.5
106.07349	3.0
107.08581	1.7
115.05447	8.2
116.06288	1.5
117.07017	9.5
117.65426	0.2
118.07800	10.4
119.08134	0.3
129.07034	1.0
131.08560	7.4
132.08885	0.4
133.02834	0.4
133.06566	2.1
133.10120	100.0
134.03661	0.2
134.10461	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	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03942	2.2
55.05513	2.1
64.03276	0.3
65.03909	0.5
65.21659	0.3
71.51013	0.6
77.03930	0.5
77.74004	0.4
79.01896	0.4
79.05488	7.4
79.24030	0.3
86.16183	0.3
91.05475	18.8
92.05802	0.6
93.07036	7.3
95.04951	2.2
97.18359	0.4
103.05455	3.7
105.03382	1.4
105.04484	0.9
105.07024	56.5
105.69669	0.4
106.06724	0.6
106.07324	2.3
107.08591	1.5
115.05441	5.9
116.06272	1.1
117.07015	5.9
118.07809	6.2
131.08563	6.1
132.08897	0.6
133.02858	1.2
133.06590	2.6
133.10120	100.0
134.06020	0.9
134.07050	0.4
134.10449	5.9
146.63167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02372	0.4
53.03944	2.0
55.05507	2.7
58.15794	0.2
65.03934	0.8
67.05502	0.7
69.70039	0.5
69.70463	0.9
76.92764	0.2
77.03931	0.7
79.05489	8.7
80.05820	0.3
81.03413	0.3
84.95541	0.2
91.05478	23.0
92.05791	0.6
92.06297	0.3
93.07037	5.4
94.07392	0.2
95.04973	2.3
99.45102	0.2
103.05463	5.1
103.06145	0.3
104.05714	0.3
105.03402	0.5
105.04524	0.7
105.07025	61.0
106.07351	2.2
107.08590	1.7
109.06527	0.2
115.05450	7.8
116.05037	0.2
116.06279	1.4
117.07012	9.8
118.07803	9.9
119.08129	0.4
129.06978	0.7
131.08556	7.2
132.08931	0.3
133.02818	0.3
133.06552	1.6
133.10121	100.0
134.06000	0.4
134.10457	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
51.08782	0.4
53.03939	1.6
53.83321	0.4
55.05513	2.9
65.03946	0.3
67.05504	0.8
79.05489	7.9
91.05477	21.5
92.05775	0.7
93.07038	6.2
95.04973	2.2
98.20782	1.0
100.82310	0.3
103.05466	5.0
105.03389	0.5
105.07025	60.5
106.06625	0.3
106.07349	2.6
107.08581	1.5
115.05446	6.9
116.06208	1.4
117.06246	0.5
117.07020	8.4
118.07813	8.7
129.07004	0.6
131.08557	7.1
133.02885	0.6
133.06554	2.6
133.10121	100.0
134.05963	0.5
134.10458	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03945	2.0
55.05495	3.0
64.54219	0.9
65.03951	2.3
69.28748	10.2
69.51754	0.9
75.09892	0.9
77.03918	1.2
79.05155	0.8
79.05498	9.7
89.97206	0.8
91.05474	36.5
92.05781	2.2
93.07026	6.8
95.04964	2.4
97.45032	0.9
99.54037	0.9
103.05479	5.2
105.03442	1.0
105.07027	100.0
106.07360	3.6
106.89694	0.9
107.08580	1.3
115.05457	9.6
116.06235	1.4
117.07020	11.2
118.07828	9.1
129.06963	1.7
131.08557	11.7
133.06541	1.6
133.10126	88.0
134.06027	2.1
134.10471	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02394	0.4
53.03942	2.0
55.05515	2.6
65.03951	0.4
67.05501	1.2
68.68038	0.5
69.76514	0.7
69.76921	1.7
76.92788	0.5
77.03922	1.9
79.05486	7.7
82.23128	0.4
91.05479	22.9
92.05791	0.5
93.07033	6.0
95.04959	3.3
101.70507	0.4
103.05463	4.6
105.03387	4.3
105.04513	1.2
105.07027	62.4
106.07340	2.2
107.08588	2.1
115.05444	7.1
116.06242	1.2
117.07014	9.2
118.07813	8.9
129.07028	0.7
131.08566	8.7
132.08917	0.5
133.02837	4.4
133.06488	1.7
133.10124	100.0
134.10469	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
53.03947	1.8
55.01867	0.8
55.05511	5.3
64.55892	0.5
67.05492	0.6
70.71795	1.2
71.74371	0.5
77.03924	0.8
79.05488	9.1
80.05817	0.6
86.96691	0.5
88.02207	0.5
89.08987	0.4
91.05478	33.6
92.05796	1.1
93.07041	7.4
95.04967	2.5
103.05463	4.1
105.03392	1.1
105.07026	100.0
106.07353	4.0
107.08595	1.2
115.05468	5.9
116.06234	1.0
117.07010	6.5
118.07798	8.6
129.07021	0.5
131.08553	11.9
132.08914	0.5
133.02846	1.0
133.06528	4.3
133.10124	57.7
134.05981	0.7
134.06976	0.6
134.10431	3.2
153.63126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.10924	0.6
53.03946	2.1
55.05505	5.2
55.37831	0.6
60.53996	0.7
62.57604	0.7
63.73597	0.7
65.03946	0.7
67.05501	2.5
71.31682	1.7
79.05486	9.6
91.05476	40.3
92.05795	2.0
92.06305	0.8
93.07034	5.9
95.04967	2.3
103.05468	5.2
105.07024	100.0
106.06726	0.8
106.07341	4.6
110.36033	0.7
115.05408	5.6
116.06241	1.0
117.07022	7.8
118.07816	7.3
126.75583	0.7
129.06989	0.9
131.08548	8.7
133.06540	1.5
133.10121	75.1
134.10449	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	1.2
53.03944	3.9
54.79796	0.4
55.01870	9.7
55.05518	1.0
56.05021	0.7
57.04555	1.1
58.02952	0.5
58.05344	4.2
59.06117	1.2
60.04504	0.8
60.95834	0.4
65.03950	1.0
67.05499	0.8
69.03423	0.5
72.04511	0.9
73.04035	0.8
74.02418	0.6
74.06077	1.9
75.05598	5.1
76.04001	0.6
77.03924	2.0
79.05491	24.7
80.05801	0.6
85.04012	3.0
87.05598	1.8
90.04737	0.5
91.05482	26.0
93.07067	2.4
95.04977	6.7
100.03992	0.6
103.05461	18.4
104.05012	1.1
104.05714	0.6
105.03419	3.8
105.04572	1.7
105.05338	5.4
105.07028	100.0
106.06554	2.4
106.07376	2.9
115.05468	14.7
116.07029	0.6
117.06988	2.7
118.04147	0.5
118.07811	2.0
119.06016	0.6
122.17462	0.4
131.08575	2.9
133.02870	3.7
133.04973	7.3
133.06491	64.0
133.10127	16.6
134.06006	5.1
134.06976	3.0
147.03714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
52.82801	0.5
53.03946	2.1
55.01856	1.9
55.05509	3.5
58.05344	2.2
65.03929	0.6
65.91322	0.4
66.04726	0.8
67.05502	0.6
73.04043	0.4
75.05582	1.3
77.03918	1.5
79.05490	13.0
85.04015	1.6
86.29658	0.4
87.05590	0.7
90.04676	0.9
91.05479	22.6
93.07052	3.7
95.04987	2.8
98.20726	1.0
103.05457	9.2
105.03401	2.6
105.07026	100.0
106.06545	1.6
106.07359	3.5
107.04920	0.8
107.08582	0.5
115.05446	4.6
117.07044	3.2
118.04157	5.7
118.07837	3.0
129.06987	0.4
131.04947	0.7
131.08551	4.1
133.02881	2.4
133.06491	37.9
133.10127	23.9
134.05992	2.7
134.06918	1.6
134.10454	0.7
150.57428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02377	1.2
53.03941	3.6
55.01873	6.2
55.05501	0.9
57.03449	0.4
57.70767	0.3
58.05338	2.1
65.03934	1.0
67.05505	0.4
69.03435	0.7
69.47813	2.6
73.28606	0.3
75.05606	0.8
77.03918	1.9
79.05491	24.5
80.05824	0.7
85.04006	1.2
85.82330	0.4
90.69722	0.4
91.05478	10.1
93.07039	1.6
95.04971	6.0
103.05466	16.2
104.05768	0.6
105.03411	3.3
105.04514	1.6
105.07027	100.0
106.06586	0.9
106.07354	3.3
107.04956	0.9
111.04401	0.5
115.05466	4.7
117.07040	2.2
118.04181	0.9
118.07797	0.9
131.04909	0.6
131.08571	2.9
133.02878	2.4
133.06491	41.4
133.10130	11.7
134.06078	1.9
134.06831	2.2
134.09619	0.7
135.30351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.11386	0.2
53.03938	0.8
55.01871	0.6
56.05035	0.5
56.96565	4.7
57.03427	1.1
58.06587	0.7
59.04994	0.5
60.95853	0.3
61.02923	0.6
69.03412	1.3
69.07065	15.0
70.02837	1.3
70.07359	0.5
71.04972	0.3
73.02925	0.7
74.06073	0.4
77.00740	0.3
81.03410	1.1
82.03738	0.3
85.02890	1.1
86.09702	100.0
87.10026	2.9
91.05500	0.3
94.37993	0.3
97.02868	1.9
98.01332	0.4
98.03234	0.3
98.21452	0.3
98.97572	1.1
99.04450	0.5
100.02471	0.5
101.00875	0.6
102.00964	0.4
103.00655	0.3
105.07029	0.5
106.02855	0.4
109.02878	0.7
115.02425	0.7
116.02528	0.7
116.98626	0.3
117.02186	0.5
117.04005	0.6
118.04089	0.8
119.00216	0.3
119.01909	1.3
119.03757	1.1
120.02010	0.9
121.01669	1.2
131.01915	0.3
132.02092	0.4
132.10219	0.5
133.01703	0.5
133.03455	0.7
134.03535	0.4
134.99701	0.4
135.03249	1.0
135.05011	0.7
136.05113	1.3
137.04785	2.0
140.55205	0.4
144.02104	0.6
145.01668	0.8
148.84578	0.3
149.97247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01601	0.4
51.02387	1.1
52.72591	0.3
53.03948	5.3
55.01872	1.5
55.05495	0.4
56.05023	0.6
56.96540	0.3
57.03426	1.1
57.04564	0.7
58.02956	0.4
58.05344	1.2
58.06592	0.8
59.06126	0.3
60.04516	0.5
68.05045	0.3
69.03416	0.5
69.07059	0.4
70.06571	0.5
71.06116	0.5
71.07791	0.5
72.04506	0.9
72.08155	1.1
72.93801	0.5
73.04058	0.3
73.47252	0.3
74.06075	0.6
75.05597	1.7
77.03923	1.6
78.03450	0.4
79.05496	3.0
81.03407	0.6
85.04025	0.8
86.06042	0.6
86.09706	0.9
87.05578	0.7
88.07640	0.3
90.90345	0.5
91.05060	0.3
91.05487	2.6
95.04968	9.8
96.04475	1.8
103.05474	2.0
104.04990	73.8
105.03407	2.7
105.04523	3.0
105.05325	2.0
105.07030	13.3
115.05482	1.9
117.07039	0.3
118.04124	0.3
118.07780	0.3
128.06213	0.3
131.04913	0.5
131.08559	0.4
132.04449	100.0
133.02850	1.1
133.04849	3.0
133.06494	8.0
133.07527	0.6
133.10124	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	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03942	5.6
55.01866	1.8
55.05502	0.8
56.05022	0.6
57.03440	1.6
57.04553	1.2
58.02956	0.8
58.05345	2.2
58.06594	1.3
59.06104	1.0
60.04510	0.6
60.80866	0.3
69.03410	0.7
69.07063	0.4
70.06576	0.6
71.06100	0.5
71.49630	0.5
72.04514	1.0
72.08140	1.6
72.93776	0.8
73.04055	0.5
74.06087	0.7
75.05585	2.7
76.04012	0.4
77.03928	2.0
79.05495	4.2
81.03403	0.7
85.04014	1.3
86.06069	0.8
86.09699	2.3
87.05583	1.8
87.09204	0.6
89.07140	0.4
90.90367	0.6
91.04981	0.5
91.05480	5.7
92.05804	0.7
93.07050	0.7
95.04959	10.6
96.04495	1.6
103.05460	3.3
104.04984	70.0
105.03410	3.0
105.04510	3.2
105.05313	2.4
105.07024	23.9
114.05505	0.8
115.05520	2.3
115.08696	0.6
117.05755	0.5
117.07003	0.8
118.07827	0.6
119.72996	0.3
131.08595	0.6
132.04442	100.0
132.08023	1.5
133.02834	1.3
133.04849	4.1
133.06488	12.7
133.07513	0.7
133.10136	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	131.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
53.30286	0.6
62.78222	0.6
70.72000	0.6
70.77335	1.4
70.77700	1.6
85.08460	1.2
91.05475	12.6
95.04964	7.6
102.04663	2.0
103.05460	100.0
104.05782	4.1
105.04504	1.9
109.06554	0.8
113.07922	1.9
115.05462	1.4
116.06215	4.0
129.06998	1.2
131.04929	15.1
131.05922	0.6
131.06909	0.8
131.08542	10.2
132.08038	0.8
144.08069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03943	6.3
55.01851	0.6
55.83127	0.4
56.05025	1.8
56.96543	1.8
57.03424	1.0
58.05295	0.4
59.06110	0.6
69.03410	1.1
69.07045	0.5
70.03761	2.5
70.06589	1.0
71.06524	0.5
71.50839	0.9
72.04520	0.9
72.08141	0.9
73.02923	0.5
77.03925	1.3
81.03421	1.0
83.02449	0.7
84.04488	0.5
84.08122	0.6
85.04802	0.5
85.08467	2.1
86.06062	1.3
86.09689	1.0
87.05575	0.8
90.66141	0.5
91.05478	17.8
92.05823	0.5
95.04970	9.6
98.04781	0.9
98.97583	0.5
102.04678	2.0
103.05465	100.0
104.05074	1.0
104.05799	4.3
105.04522	2.3
111.10667	0.5
113.07187	1.3
113.07920	7.9
115.05467	1.5
116.06242	5.6
116.98678	0.5
129.06996	2.1
131.04930	14.0
131.05984	0.8
131.06981	2.5
131.08534	11.4
132.04433	1.7
132.05312	0.9
132.08057	0.5
134.27199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
55.05482	2.5
56.05030	3.1
56.96532	1.8
57.03422	1.2
57.07073	35.5
58.06581	0.8
58.07378	1.2
59.06091	2.3
62.62516	0.6
67.05473	1.3
68.05001	0.7
69.03426	38.5
69.07064	5.8
70.03769	1.2
70.06569	2.3
70.64672	2.0
70.78050	0.6
71.04964	1.8
72.04484	2.5
72.08155	10.1
74.09718	22.7
75.10056	0.7
82.06554	2.7
84.04499	9.7
84.07647	1.4
84.08140	27.4
85.07668	4.7
85.08441	1.4
86.06077	0.8
87.09222	1.2
88.07603	0.8
91.05480	7.0
94.06544	1.2
95.04952	1.3
98.04787	1.2
103.05466	19.4
111.63422	0.6
112.07599	100.0
113.07127	2.5
113.07943	3.9
115.05388	0.8
116.06232	1.7
118.63823	0.6
119.01781	0.7
120.61969	0.6
129.07018	1.4
130.02199	1.3
130.05081	1.2
130.06534	26.5
130.08627	18.4
130.09636	1.1
130.15912	47.7
131.04967	3.3
131.05920	0.8
131.06894	1.9
131.08534	5.0
131.16228	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	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
50.82680	0.7
53.00304	2.0
53.03948	19.0
54.04297	0.8
55.01873	8.0
55.05512	4.4
56.05042	1.0
57.03428	5.5
57.07069	2.1
58.06593	2.3
59.04996	6.5
59.06119	2.0
65.03938	3.2
66.04731	0.9
66.32724	0.6
67.01851	1.7
67.05508	3.8
68.05025	2.0
68.99812	0.7
69.03431	5.9
69.05357	1.0
70.06586	5.0
71.01343	0.9
71.04996	23.9
71.50738	0.9
79.05492	40.0
80.05824	1.4
81.02697	0.9
81.03417	42.3
81.07054	100.0
82.03715	1.7
82.06587	2.3
82.07385	3.3
83.01323	0.9
83.05011	0.7
83.06114	1.5
83.08630	1.3
84.04463	0.9
85.02900	2.0
85.06542	5.8
85.07673	1.5
86.06064	1.9
91.05462	0.8
94.04173	0.9
95.04952	1.2
97.02892	1.4
97.07659	1.2
99.04450	4.1
99.08080	8.8
100.07648	1.0
109.02877	48.7
109.06516	35.1
109.07663	2.9
109.10218	0.8
110.03192	1.4
110.06872	1.2
110.07980	0.9
111.09201	9.9
121.24892	0.6
127.03916	97.0
127.07553	22.9
127.08574	1.2
127.10618	1.5
128.03407	1.1
128.04248	3.8
128.06227	1.8
128.07101	1.6
128.08084	1.3
128.11839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.02906	2.4
53.03934	12.2
55.01870	14.2
55.05511	54.7
56.05025	10.2
57.03427	5.4
58.06602	6.0
59.06117	24.4
65.03933	10.0
67.05505	7.0
68.05024	31.6
69.03423	55.8
69.04537	4.0
69.07061	14.7
70.06585	7.7
71.01351	9.3
71.30662	6.7
77.06715	2.9
78.34344	3.0
79.05492	62.9
80.05013	10.0
81.03439	3.3
81.07047	41.5
82.06584	9.0
82.07359	3.8
83.04979	91.9
83.06094	9.9
83.08623	7.7
84.04492	8.0
84.08162	3.5
85.07656	9.4
86.08401	6.0
91.05485	28.0
95.04910	6.3
95.08617	4.3
96.08110	4.1
97.02884	50.9
97.06535	17.7
97.07644	4.1
97.10147	3.3
98.06088	7.3
105.07043	12.7
105.08203	3.0
107.04976	4.9
107.06042	4.1
107.08590	79.3
108.04476	4.3
108.06349	2.8
109.06531	8.4
109.07644	11.5
119.06105	3.9
120.03253	3.9
125.02354	25.6
125.04307	5.4
125.06019	23.3
125.07030	14.6
125.08193	4.1
125.09639	100.0
125.10620	4.5
126.05504	6.4
126.09104	2.6
126.10272	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.1
56.32489	0.1
56.96561	0.8
58.99604	0.1
58.99843	0.7
70.87374	0.3
70.99844	0.6
75.07588	0.1
77.00889	0.5
78.00955	0.1
79.05556	0.1
80.04983	0.3
81.04557	0.2
82.01431	0.3
82.99821	1.4
83.01512	0.5
83.06082	0.4
84.01188	0.3
89.00888	0.4
95.01321	0.2
95.01906	0.2
96.04485	0.2
96.05295	0.1
97.02867	0.2
97.07618	0.1
100.02481	1.5
101.00873	22.5
101.02543	2.2
102.00941	1.4
102.02233	1.1
107.06053	0.3
109.05254	0.1
117.84210	0.1
118.03502	0.8
119.01912	100.0
120.01987	5.9
120.03290	0.5
121.01569	0.2
121.02337	0.3
124.02458	0.4
124.03929	0.8
124.07585	0.9
124.08664	0.3
125.07103	0.1
131.03450	0.1
137.02945	37.6
138.03020	2.5
139.03384	0.3
142.03488	5.4
143.03632	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
56.96570	0.5
57.03431	0.5
58.55477	0.2
58.99857	2.2
59.05489	0.2
59.95618	0.2
60.00639	0.3
62.49261	0.2
66.96577	0.2
69.03410	0.3
69.78492	0.2
70.73010	0.6
70.99858	2.7
77.00909	1.9
81.04538	0.2
82.01450	0.5
82.99816	1.6
83.01530	0.8
84.01185	0.4
89.00895	1.3
95.01928	0.8
96.04488	0.3
97.02864	0.2
100.02483	2.2
101.00875	22.3
101.02547	5.4
101.22722	0.2
102.00984	0.9
102.02228	2.8
107.01928	0.6
107.95116	0.3
110.04768	0.3
118.03525	1.5
119.01915	100.0
119.03638	3.5
120.01997	4.7
120.03195	1.8
120.03962	0.2
121.01649	0.6
121.02393	0.4
121.03318	0.2
124.02471	0.5
124.03972	3.1
124.07590	0.5
133.01622	0.5
133.03410	0.2
135.03142	0.2
137.02950	34.5
138.03046	1.4
139.03429	0.4
142.03494	5.7
143.03651	0.5
144.03218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03947	2.9
55.05503	5.4
56.39540	0.5
57.07072	5.4
65.03939	1.1
67.05504	12.9
68.05820	0.6
69.07052	3.6
71.14516	0.8
71.14829	0.6
72.74528	0.5
79.05490	18.9
80.05015	2.1
81.07050	100.0
82.07390	2.1
88.09182	0.5
93.07052	2.0
94.07803	1.3
95.04965	9.9
95.08601	15.2
95.61817	0.5
96.04475	1.0
96.08927	0.7
100.02470	0.6
105.04494	0.8
105.07032	0.8
108.05740	1.8
108.09338	0.9
121.10133	1.6
123.04498	3.7
123.05512	4.1
123.08111	3.5
123.11695	21.1
124.03935	1.4
124.08639	0.7
124.12079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13330	0.2
60.00627	0.3
70.72015	0.8
75.84130	0.2
82.99822	1.3
83.01498	0.4
84.01196	0.4
86.97856	0.2
100.02481	0.8
101.00878	22.2
101.02551	3.0
102.00954	1.3
102.02205	1.4
118.03516	0.9
119.01917	100.0
120.02024	5.8
120.03283	0.8
121.02327	0.4
121.15776	0.2
124.02444	0.7
133.03502	0.3
134.92566	0.2
137.02951	38.9
138.03033	2.4
139.03357	0.3
142.03497	5.8
143.03755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.00309	0.4
53.03943	3.7
54.30778	0.3
55.01876	0.4
55.05506	4.8
57.07070	6.0
59.95219	0.3
65.03941	1.0
67.05498	15.0
68.05834	0.3
69.07063	3.3
72.83334	0.4
78.03482	0.3
79.05485	15.6
80.05013	3.3
80.05824	0.5
81.03410	0.5
81.07047	100.0
82.07382	2.5
91.05448	0.4
93.07039	2.6
94.07825	1.2
95.04960	17.3
95.08598	15.7
96.04488	2.1
96.05296	0.6
96.08959	0.5
100.02497	1.1
105.04506	1.0
105.07011	0.6
108.05751	0.5
108.09373	1.1
112.03957	0.8
118.03521	1.4
119.01895	0.4
121.10139	1.3
123.04430	4.0
123.05537	5.6
123.08077	3.2
123.08919	0.5
123.11694	22.3
124.03944	3.5
124.07545	0.4
124.08425	0.4
124.12038	1.1
137.03003	0.5
140.03415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05232	0.6
50.63161	0.6
51.02382	1.0
53.03945	8.1
54.03479	1.3
55.01865	1.0
55.05506	6.1
56.05040	3.3
57.07068	5.5
65.03940	1.4
67.05501	22.4
68.05025	2.1
69.04541	1.1
69.07061	3.4
70.06598	1.8
70.96146	1.3
77.03922	1.3
79.05489	19.5
80.05012	8.4
80.05798	0.8
81.03456	1.3
81.04538	4.5
81.07051	100.0
82.05327	0.8
82.06599	0.7
82.07384	2.2
83.06102	5.0
91.05481	0.6
93.07043	3.9
94.07817	0.8
95.04963	46.7
95.08602	20.8
96.04489	4.2
96.05248	1.1
96.08131	1.0
96.08916	0.8
97.07642	3.7
98.21287	0.7
100.02471	2.3
103.05486	0.6
105.03396	0.7
105.04509	2.3
105.07034	2.1
106.04888	0.6
107.04971	1.4
107.06083	5.2
108.05730	8.2
108.09377	0.9
108.75204	0.6
112.03985	1.7
118.03531	1.7
119.01926	1.1
121.06535	1.4
121.10173	1.1
121.40356	0.5
123.04430	10.7
123.05540	13.3
123.06600	1.0
123.08105	14.5
123.09120	1.4
123.11698	20.0
124.03959	5.7
124.04799	0.8
124.07698	0.9
124.08701	8.9
124.12002	0.8
137.03020	0.5
140.03462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03949	4.8
53.82323	0.5
55.01844	0.5
55.05514	4.6
56.05039	1.1
57.07078	4.8
60.24191	0.5
65.03951	1.7
65.80093	0.6
67.05507	18.1
68.05035	0.7
68.05833	0.5
69.07068	2.8
70.66848	0.8
76.77616	0.5
77.03928	0.6
79.05497	16.7
80.05024	6.9
80.05809	0.6
80.90750	0.5
81.03424	0.9
81.04568	1.0
81.07056	100.0
82.07389	2.8
83.06109	1.3
89.51557	0.5
91.05508	0.7
93.07045	2.9
94.07837	1.2
95.04967	26.1
95.08607	17.7
96.04491	2.7
96.05329	1.2
97.07691	1.5
100.02466	3.0
105.03363	0.6
105.04523	1.3
105.07008	1.1
107.04959	0.7
107.06097	1.0
108.05743	3.6
108.09409	1.4
112.03995	1.5
118.03513	1.9
119.01933	0.7
121.10191	2.1
123.04443	9.9
123.05558	10.2
123.06586	0.9
123.08130	7.7
123.09049	0.9
123.11706	23.5
124.03965	5.7
124.04885	0.8
124.08700	3.8
124.12039	0.8
127.61832	0.5
140.03369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01578	0.5
51.02378	1.2
52.58857	0.6
53.00310	0.8
53.03944	12.2
55.01870	4.8
55.05508	13.2
56.05866	0.8
57.03430	0.7
57.07078	1.4
61.90941	0.5
65.03928	4.0
67.05499	54.3
68.05013	1.2
68.05827	1.4
69.03430	0.9
69.07082	0.6
71.51292	0.6
75.83382	0.6
77.03927	2.5
78.03440	1.0
79.05486	14.2
80.05012	14.2
80.06264	1.2
81.03416	3.9
81.07051	31.2
82.01440	0.8
82.04174	0.7
82.07402	1.0
83.04981	0.8
91.05465	8.6
93.07040	21.5
94.07359	0.9
95.01339	0.9
95.04961	88.5
95.08599	34.7
96.04494	8.7
96.05299	3.4
96.08147	0.6
96.08936	1.1
100.02475	7.2
101.02612	0.7
103.05472	2.3
105.03393	0.8
105.04508	5.2
105.06313	0.8
105.07025	13.7
106.02908	0.7
106.07352	0.8
107.04964	1.8
108.05734	12.3
109.06065	0.7
112.03974	3.3
118.03516	7.5
118.06615	0.7
119.01934	3.2
119.03625	0.6
121.06519	1.9
123.04432	16.7
123.05548	29.4
123.08057	100.0
123.11667	5.7
124.03945	19.2
124.04772	1.0
124.05878	1.0
124.07561	1.9
124.08403	4.4
137.02977	1.6
140.03407	1.9
141.05078	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02370	1.6
53.03716	1.0
53.03947	11.7
54.03466	1.7
55.01867	2.1
55.05511	16.9
56.05031	3.2
57.07058	2.9
65.03929	3.4
66.04754	0.9
67.05505	75.3
68.05029	3.1
68.05437	0.7
68.05830	1.8
69.03418	1.3
69.07068	1.8
70.06594	1.4
71.50565	1.0
71.50974	0.8
77.03931	2.8
79.05492	22.8
79.59470	0.7
80.05014	13.3
80.05807	0.9
80.06272	2.1
81.03432	4.7
81.04525	4.0
81.07056	70.6
82.01456	0.8
82.05332	1.6
82.06605	1.0
82.07378	1.7
83.06104	4.2
91.05480	4.2
93.07044	13.2
95.04968	92.9
95.08607	64.0
96.04487	6.3
96.05302	2.5
96.08161	1.2
96.08934	2.7
96.90594	0.8
97.07651	3.7
100.02459	5.2
103.05482	2.2
105.03400	1.7
105.04504	5.3
105.07028	11.1
107.04968	6.4
107.06060	5.2
108.05745	30.2
109.06092	1.5
112.03977	2.6
118.03529	2.8
121.06506	5.9
121.10132	1.5
123.04443	21.7
123.05560	21.2
123.08077	100.0
123.11697	13.2
124.03957	10.6
124.04770	1.0
124.07593	1.8
124.08650	9.3
124.12128	0.9
140.03441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01870	2.7
56.96550	0.9
57.03439	4.1
58.99860	3.4
61.02913	1.4
67.05503	0.7
68.02646	0.6
69.03432	3.2
70.99849	2.3
73.02921	2.7
75.01904	0.9
77.00898	3.7
78.52942	1.5
80.05014	1.5
81.01886	1.0
81.03410	2.3
81.04500	0.6
82.01441	18.4
82.02663	0.6
82.99835	2.1
83.01495	1.3
85.02909	3.0
86.52691	1.3
87.53508	0.6
88.02686	3.6
89.00896	1.3
90.02413	1.1
92.52727	1.1
93.53468	1.4
94.54234	0.8
95.01938	0.8
95.04960	2.4
97.02885	2.7
98.52699	1.7
100.02483	85.9
101.00880	23.3
101.02554	6.5
102.02390	3.3
102.36683	0.6
109.02863	1.1
111.02944	1.8
113.00889	1.1
115.02441	0.7
117.63152	0.7
118.01138	1.5
118.03525	52.6
119.01922	100.0
119.03625	4.0
120.01974	1.2
120.03323	1.2
120.47184	0.7
123.04104	2.9
123.05501	3.6
124.02468	1.6
124.03960	1.8
129.90509	0.7
131.01912	6.1
132.02005	0.8
133.01593	0.8
133.03464	1.6
136.04521	1.1
137.02956	30.0
141.05057	1.7
142.03485	9.4
143.01863	0.8
143.03633	1.0
144.03258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.96516	0.4
55.01873	1.7
56.96561	1.0
57.03444	2.4
57.12837	0.4
58.99844	2.6
61.02929	1.0
67.05507	1.5
68.02628	0.5
69.03429	1.5
70.55285	1.2
70.99857	1.7
73.02941	0.9
74.52699	0.5
77.00891	2.4
78.52973	0.5
79.05506	0.8
80.05025	2.3
81.03413	1.4
81.07053	1.0
82.01442	13.8
82.02715	0.5
82.99847	1.7
83.01541	0.6
85.02916	1.2
85.53722	0.7
87.01903	0.5
88.02677	1.0
89.00897	0.9
93.01909	0.6
95.01914	0.5
95.04971	16.0
96.02379	0.4
96.04485	1.4
97.02890	1.5
98.52703	0.4
98.97594	0.9
100.02485	67.8
101.00883	21.4
101.02551	4.8
102.02353	1.3
102.32541	0.5
105.04521	0.9
107.01868	0.5
109.02868	0.5
111.02920	0.5
112.03967	0.5
113.00851	0.9
115.02429	0.7
118.03522	44.6
119.01922	100.0
120.03355	1.1
121.01651	0.5
123.04395	3.7
123.05553	5.7
123.08080	0.5
124.02449	0.6
124.03963	2.1
131.01889	3.3
133.03569	0.6
136.04556	2.4
137.02960	40.5
138.26570	0.4
141.05098	2.0
142.03511	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99863	1.0
69.96025	1.1
70.79240	0.3
73.16737	0.3
77.00898	0.7
82.01440	15.6
82.99839	1.6
83.01521	0.7
90.50536	0.3
95.04955	0.8
98.21512	0.3
100.02479	59.6
101.00878	22.4
101.02544	3.4
102.02898	0.5
105.44667	0.3
118.03520	34.2
119.01917	100.0
119.03604	2.6
123.04041	2.0
124.02414	0.3
136.04539	1.0
137.02951	38.8
141.05075	1.3
142.03491	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.4
53.03711	1.3
53.03944	13.7
53.26072	0.9
55.05511	7.8
59.33864	1.1
65.03945	8.0
67.05498	2.7
71.51566	1.6
77.03912	2.3
79.05495	39.1
80.05836	1.6
80.06258	2.0
81.07050	3.5
91.05483	43.4
92.05811	2.2
93.07043	100.0
94.06567	1.4
94.07372	3.4
95.04967	17.0
103.05461	12.0
105.03400	1.6
105.04516	6.0
105.06310	2.1
105.07032	42.9
106.07793	4.1
107.07321	3.1
111.04439	1.7
119.08587	7.7
120.08961	1.0
121.02899	5.0
121.03967	2.6
121.06521	9.5
121.07343	1.3
121.10139	35.2
122.06042	3.5
122.07103	2.5
122.09654	3.5
122.10438	1.5
123.08085	4.9
126.72185	0.9
133.07608	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.6
53.03946	11.0
54.03472	2.6
55.01885	1.3
55.05512	4.4
60.26252	0.8
65.03945	4.6
67.05511	3.2
69.49848	3.3
69.50256	1.8
70.06591	1.1
77.03941	1.7
79.05494	46.3
80.05853	0.8
81.03434	1.6
81.04543	5.8
81.07055	2.5
82.05313	5.1
87.81194	0.6
91.04905	1.5
91.05479	34.6
93.07044	53.9
94.06553	1.7
94.07412	1.8
95.04971	15.3
95.06079	2.2
103.04808	1.5
103.05474	21.2
104.05797	0.9
105.03411	0.9
105.04519	5.6
105.07030	100.0
106.07911	6.9
107.07322	1.1
111.04434	1.5
116.15139	0.7
119.08578	15.7
120.05706	0.8
120.08878	0.7
121.02866	5.4
121.03817	1.4
121.06519	12.2
121.10143	47.1
121.52884	0.7
122.06122	0.9
122.07158	25.5
122.09660	1.6
122.10477	2.2
123.08075	11.6
129.65320	0.7
133.07585	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	1.7
53.03943	15.5
54.03458	2.5
55.05512	6.8
65.03928	3.4
67.05498	4.6
71.18453	1.4
77.03903	2.8
79.05491	70.4
80.05813	1.8
80.06241	1.4
81.03400	2.1
81.04537	5.8
81.07040	4.3
82.05320	6.5
90.98308	0.8
91.05480	48.8
92.05804	2.2
93.07040	81.2
94.06554	2.7
94.07353	3.5
95.04381	1.7
95.04964	23.4
95.06068	2.1
96.05304	0.9
103.05463	23.1
105.03387	1.0
105.04520	7.0
105.07027	100.0
106.07924	6.6
107.04904	1.3
107.07355	1.0
111.06904	0.7
119.08573	14.5
120.05667	1.0
121.02866	4.5
121.03919	1.7
121.06511	12.6
121.10137	51.5
122.06074	2.3
122.07146	31.3
122.09657	2.3
122.10479	2.3
123.08059	12.9
133.07596	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	121.0648
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01570	0.8
51.02380	1.0
53.03716	0.7
53.03949	9.6
54.03456	0.7
55.01859	1.7
55.05492	0.7
59.85309	0.6
65.03940	5.4
67.05499	0.9
68.14792	0.5
70.71663	1.3
77.03925	1.5
78.04281	0.9
78.04711	15.1
78.91381	0.5
79.05075	0.8
79.05497	8.4
80.65009	0.4
81.03388	1.0
81.04532	1.3
81.07055	0.8
82.05318	0.8
91.05479	28.7
91.68517	0.6
92.05774	0.9
93.07041	11.9
93.07629	0.8
94.04170	0.6
95.04964	13.8
103.05492	3.2
105.03391	1.1
105.04526	4.7
105.07021	10.2
106.04176	3.3
107.07304	0.9
110.38847	0.5
111.04472	0.7
117.33973	0.6
119.08571	1.5
121.02950	2.7
121.03999	1.4
121.06501	100.0
121.10127	5.2
122.06015	1.0
122.07016	4.8
122.09678	0.7
123.08086	0.9
133.07600	0.6
134.33424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01595	0.6
51.02378	1.3
53.03944	8.8
53.23020	0.3
54.03464	1.3
55.01876	1.5
55.05494	1.4
65.03938	5.3
67.05488	1.3
69.68475	1.6
70.06584	0.3
70.20841	0.3
77.03915	2.7
78.04706	15.0
79.01836	0.4
79.05489	11.4
81.03411	1.2
81.04558	1.9
81.07047	0.6
82.05331	2.1
91.05478	33.8
92.05807	0.9
92.33845	0.3
93.07041	13.2
94.04164	0.4
94.06557	0.6
94.07351	0.4
95.04966	15.8
95.06020	0.8
103.05463	4.2
105.03397	0.6
105.04515	5.3
105.07028	21.7
106.04169	4.8
106.07877	1.4
107.04921	1.2
107.07298	0.4
111.04428	0.7
119.08572	3.2
121.02926	2.0
121.06498	100.0
121.10130	11.1
122.07153	10.6
122.09677	0.7
122.10464	0.4
123.08060	1.9
133.07625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.5
50.50426	0.5
53.03947	5.9
54.03459	1.6
55.01872	3.2
55.05504	2.7
65.03939	69.7
66.04276	1.2
67.05490	2.3
68.99792	2.7
69.03402	0.6
69.49015	3.7
69.49433	1.3
71.01337	2.4
77.03901	0.8
79.01841	1.3
79.05493	23.1
81.04534	2.2
81.07048	1.2
82.05306	2.5
83.01320	0.6
91.05480	18.3
92.05808	0.7
93.03388	2.0
93.07040	26.0
94.06552	1.2
95.04968	9.2
95.06052	1.2
103.05471	10.2
105.04492	3.2
105.07030	41.2
106.07870	3.2
109.02868	1.6
111.04440	34.5
112.04829	1.0
119.08580	7.6
121.02863	100.0
121.03970	33.1
121.06476	6.4
121.10138	21.0
122.03169	3.1
122.04342	0.9
122.06133	0.9
122.07145	13.1
122.09616	0.8
122.10469	0.8
123.08064	4.5
133.07605	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03943	3.5
55.01868	0.5
56.05027	0.8
56.96568	1.6
57.51369	0.3
60.04526	1.9
65.03940	3.4
70.54797	1.1
72.04510	0.5
73.05299	0.4
74.06078	0.9
75.81011	0.3
77.03921	0.9
78.93121	0.6
79.02963	0.7
79.05491	2.0
79.51273	0.3
80.05016	0.9
87.21655	0.4
91.05478	11.3
92.04995	1.7
92.05807	2.3
93.04541	0.7
93.07040	15.8
94.06558	1.1
94.07359	0.4
95.04968	5.3
102.04675	1.1
102.05524	0.3
103.05461	85.6
104.05793	2.4
105.04510	1.7
105.07008	0.7
105.54439	0.3
110.06015	0.4
111.04423	0.4
118.06528	2.0
119.07333	1.0
120.04459	1.5
120.05589	5.4
120.08097	100.0
121.02887	1.9
121.03968	1.0
121.04871	0.3
121.06490	2.5
121.08424	3.4
121.10137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	3.9
54.04271	0.6
54.31869	0.4
59.06120	6.8
60.04521	1.0
60.83472	0.5
64.01051	0.5
65.03934	6.4
70.05215	2.0
70.05607	1.1
78.04698	1.2
79.05489	7.6
87.05580	1.6
91.05476	100.0
92.04983	1.0
92.05805	3.4
93.07036	5.3
95.04958	4.2
96.05280	0.8
103.05458	11.5
104.06236	11.9
105.04512	0.9
109.06484	1.2
115.05453	4.8
117.07014	19.1
119.04948	6.4
119.06048	1.8
119.08574	84.9
120.04463	1.4
120.05541	1.8
120.08087	2.0
120.08913	3.2
121.06513	0.9
139.30981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02387	0.5
53.03936	3.1
54.04272	0.5
54.80947	0.4
59.06124	3.0
65.03934	5.8
67.05498	0.7
67.21120	0.6
70.96238	0.6
70.96551	0.8
77.03535	0.7
77.03936	0.7
78.04712	1.5
79.05492	8.5
87.05569	0.9
91.05476	100.0
92.04996	1.0
92.05832	2.7
93.07046	5.2
95.04954	4.7
96.05302	1.1
103.05457	11.9
104.06248	13.1
105.04482	1.3
109.06514	1.6
115.05456	5.7
117.07014	24.3
119.04945	3.6
119.06065	2.0
119.08573	93.7
120.04556	0.7
120.05562	2.4
120.08884	3.1
137.17480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
64.04508	0.8
65.03939	3.5
69.51640	5.3
78.04711	1.3
79.05493	7.1
91.05476	100.0
92.05802	2.7
93.07044	4.4
95.04966	4.2
96.05300	2.2
98.20772	1.6
103.05463	12.5
104.06250	12.0
105.04546	1.7
109.06524	1.4
115.05460	6.5
117.07014	27.1
118.07303	0.9
119.04934	1.1
119.06064	2.0
119.06857	3.0
119.08573	81.9
120.05581	2.0
120.08894	3.1
131.06030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.00447	0.6
53.03944	3.2
63.47366	0.6
64.44312	0.7
65.03938	3.7
69.11514	0.7
70.03698	0.6
70.86697	1.4
77.03924	0.7
78.04707	1.7
79.05486	10.1
91.05478	100.0
92.05811	2.9
93.07034	7.9
95.04977	4.5
95.15700	0.6
103.05468	13.6
104.06249	16.4
105.04498	2.0
109.06525	1.1
115.05457	8.1
117.07014	30.3
118.07381	0.9
119.08578	95.1
120.08906	3.0
137.45540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03931	4.8
61.23420	1.1
65.03928	4.8
65.72075	1.1
66.58366	1.1
69.26037	8.7
78.04697	1.7
79.05479	10.3
91.05475	100.0
92.05102	1.1
92.05803	2.1
93.07047	6.0
95.04958	5.1
96.05309	1.2
102.04680	1.4
103.05455	13.2
104.06249	16.1
105.04552	1.5
108.15740	1.1
115.05430	6.0
117.07014	25.7
119.06089	2.7
119.08572	96.9
120.08939	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.50971	0.4
53.03939	0.6
56.05033	0.7
57.03436	0.5
58.06615	0.8
59.06119	18.9
60.04523	4.9
61.02917	1.1
62.06100	0.4
65.03936	16.8
70.75124	0.6
70.75478	1.3
73.04039	0.4
74.06078	1.3
78.93101	1.0
79.02958	0.5
79.05494	1.3
87.05598	3.0
91.05474	100.0
92.05000	1.7
92.05806	3.4
93.04494	0.6
93.07032	0.6
94.22400	0.5
95.04988	0.9
96.05295	0.5
101.07103	0.7
103.05452	1.6
104.06257	1.0
109.06476	0.8
115.05429	0.5
117.07005	2.5
119.04935	24.9
119.06026	2.1
119.06832	0.8
119.08577	9.3
120.04446	1.4
120.05534	2.9
120.08084	0.8
121.03989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01855	3.2
55.05497	4.4
56.05027	1.9
56.05831	1.0
56.96561	13.4
57.03436	5.7
58.06609	1.0
59.04988	2.5
59.06122	18.5
60.04505	2.2
61.02910	2.8
62.06057	1.5
65.03938	10.2
65.52171	1.0
67.05504	7.0
69.03424	13.2
71.02996	1.0
71.04983	1.3
71.50696	1.3
72.04503	1.9
72.08158	3.4
73.02914	3.9
73.08480	6.2
74.06072	3.0
77.00895	2.6
78.52950	4.1
79.05482	3.3
80.02927	1.9
80.06273	1.3
81.03394	1.7
82.01431	3.2
83.04977	3.1
85.02914	3.4
86.03754	0.9
87.00809	4.0
87.05596	4.8
87.53464	2.6
89.00876	1.0
91.05476	100.0
92.04980	2.0
93.07059	2.4
93.53485	2.7
95.01896	1.1
95.04924	1.3
97.02908	1.3
98.01316	1.2
98.97559	2.6
100.02476	20.7
101.00887	8.1
101.02546	2.2
102.02226	3.4
102.09177	2.6
103.02435	4.5
103.05474	1.4
105.04536	1.3
105.53450	1.3
107.05231	1.9
107.52335	0.9
111.03021	0.9
111.04417	1.4
112.07607	1.3
114.04034	1.0
115.02437	2.4
116.05792	2.2
116.55816	1.3
116.98644	1.9
117.06986	2.7
118.03514	23.9
119.01916	73.6
119.03583	7.3
119.04907	8.0
119.06026	5.7
119.08548	13.3
119.84708	1.0
120.02052	5.2
120.03239	2.9
120.04453	1.8
120.05605	2.7
120.08088	1.5
120.10218	1.8
121.03488	4.1
123.04008	1.4
129.04024	1.2
131.01901	2.4
133.03445	2.8
134.99666	1.3
137.02950	40.5
138.03052	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65136	2.8
50.86424	2.9
53.50831	2.7
58.99860	4.6
59.06120	16.5
59.50285	3.2
60.04520	5.0
61.86806	3.6
67.05505	14.7
69.03412	9.4
69.88051	16.7
73.01141	3.0
80.06254	5.0
82.01435	4.5
85.01417	4.3
91.05487	23.8
93.07046	5.3
95.04999	5.5
98.66278	2.9
100.02493	15.3
101.00876	16.5
103.02444	14.3
107.05262	7.5
116.05776	8.7
118.01083	4.2
118.03511	9.4
119.01921	100.0
120.02106	3.4
121.03481	14.4
125.07362	3.8
129.03969	5.7
133.03525	4.9
137.02965	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	1151.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03387	0.5
85.02895	4.7
91.05479	1.2
97.02859	1.2
103.03934	0.4
103.05444	0.3
109.02876	0.6
115.05453	1.5
116.38415	0.2
117.05730	1.2
117.06995	0.6
118.06527	16.1
123.82086	0.2
127.03876	0.9
129.06956	0.8
130.06509	6.9
130.54060	0.2
132.08083	5.7
132.56821	0.2
142.06512	1.7
143.06178	0.5
143.07275	4.6
144.04439	0.5
144.08066	14.3
145.07545	1.9
146.05994	50.9
147.06339	1.1
154.06514	0.7
155.05972	0.3
156.08076	7.8
157.08820	0.4
158.06010	0.7
158.08476	0.4
158.09654	1.3
159.06821	0.2
159.09157	3.7
160.07558	4.6
167.07317	0.5
168.08054	2.9
169.07587	0.6
170.05989	5.1
170.09607	0.3
171.06741	0.5
171.09128	0.9
172.07574	0.8
174.09109	0.9
180.08061	0.6
182.05978	0.7
183.06770	0.9
183.09167	0.8
184.07561	4.0
185.08273	0.8
186.05414	0.5
186.09082	1.2
188.07043	100.0
189.07378	2.2
196.07556	0.5
198.09227	0.6
200.07045	0.9
201.07919	0.3
201.10159	0.6
202.08629	3.5
205.09700	65.1
206.04401	0.4
206.10042	1.0
208.07547	0.3
210.09109	0.4
212.06995	0.7
214.08560	0.4
217.09709	1.2
222.09161	0.3
228.06483	0.8
229.09698	2.5
230.08098	31.1
231.08446	0.8
242.07997	0.3
247.10756	14.2
254.08035	0.3
258.11218	1.8
260.09140	0.8
271.10815	0.5
272.09265	0.3
276.12201	1.1
277.03650	0.4
283.10944	0.4
292.11783	0.5
294.13336	0.7
296.09064	0.5
299.02011	0.3
301.03378	0.3
303.13538	0.4
313.11792	0.8
314.10184	0.8
321.14084	0.3
331.12833	3.5
332.11258	4.4
345.02386	0.7
349.13898	5.2
350.12292	12.7
351.12476	0.6
367.14957	31.8
368.15253	0.8
397.02026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0756
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.03939	2.8
54.03477	0.6
55.01875	7.7
55.05508	9.6
56.03772	2.4
56.05032	7.3
56.96555	0.8
57.03432	13.6
57.04559	1.5
57.93558	1.6
58.02972	1.1
58.06596	0.9
59.03741	5.0
59.04998	4.6
59.06116	1.9
60.04511	1.8
62.50025	0.6
67.05503	6.0
68.05036	0.7
69.03421	5.0
69.04551	1.8
69.07063	100.0
70.06590	9.2
70.07397	2.7
71.04992	1.3
71.49092	1.0
72.08142	1.8
72.93797	2.6
73.02912	1.6
73.06551	18.7
73.07677	6.3
73.93796	3.0
74.02419	0.7
74.04840	1.1
74.06075	2.7
74.61026	0.7
74.93824	13.0
75.05140	1.1
75.05581	0.9
79.05490	19.8
80.05048	0.8
80.05836	1.2
81.87271	0.6
82.05324	2.1
85.02885	1.1
85.04036	1.1
87.00848	1.5
87.04472	3.8
87.05585	1.5
90.94846	0.6
92.94862	4.3
95.04974	1.5
97.02924	1.4
97.04002	0.9
97.06525	52.0
97.07653	2.2
98.04808	1.3
98.06075	1.9
98.06804	1.3
99.05553	0.8
105.04451	0.6
110.95889	0.8
115.03946	6.0
115.05503	11.2
115.06911	0.5
115.07603	4.7
115.08705	3.5
115.09515	4.3
115.96429	1.3
116.08209	1.6
133.97455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.02376	0.6
53.03944	7.9
53.17855	0.5
54.03459	0.5
54.04274	0.4
55.01871	10.8
55.05510	35.6
56.05026	1.1
56.05852	0.9
57.03430	1.0
65.03937	4.1
67.05502	7.1
68.05025	3.1
68.99773	0.9
69.03426	24.5
69.04539	0.8
69.07063	3.1
69.69466	3.2
70.06590	30.4
70.94235	1.4
71.04974	0.6
71.07355	0.7
77.03913	1.2
79.05467	1.2
81.03413	0.7
81.07058	3.6
83.04968	6.3
83.06098	1.5
83.08614	8.6
84.04485	0.5
84.08146	2.4
85.07642	0.6
88.00484	3.3
88.95285	0.9
89.00239	0.8
91.05478	24.7
92.05815	0.9
93.03391	1.1
93.07041	32.9
94.02954	0.5
94.06579	2.7
94.07346	1.0
95.04964	14.3
95.05997	0.5
96.05767	2.3
96.06872	0.8
97.00997	4.3
98.00742	0.5
99.51270	0.8
100.51037	0.6
105.04502	3.3
108.87002	0.5
110.07143	1.5
111.04437	12.7
111.05597	4.1
111.08070	100.0
111.09194	55.0
112.03947	1.4
112.07584	3.5
112.08629	3.4
112.09544	1.3
115.96420	2.1
127.27938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00308	0.6
53.03712	0.7
53.03946	8.6
55.01856	0.7
55.05508	10.8
61.19585	0.4
65.03938	5.7
67.05500	100.0
68.05031	2.3
68.05827	2.4
69.04556	2.0
69.07063	7.1
71.07476	1.0
71.41716	0.3
76.07053	0.3
79.05489	13.4
80.05826	0.5
80.06277	0.9
80.87306	0.4
81.02930	0.8
81.03413	15.3
81.07050	35.5
82.06583	0.9
82.07374	0.8
83.06097	0.7
86.50608	0.6
87.00472	2.6
91.05468	3.7
92.05772	0.4
94.04175	3.5
94.07823	1.3
95.04961	0.7
104.31643	0.3
107.04936	1.8
107.08576	4.2
108.70486	0.4
109.02869	6.6
109.06515	10.8
109.07643	3.0
109.10150	45.8
110.03220	0.4
110.06046	2.5
110.07161	6.5
110.10469	1.5
113.96390	0.7
121.71487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0604
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03936	0.5
53.25933	0.2
54.04276	0.5
54.59116	0.2
55.01859	0.7
55.05500	0.7
56.05023	0.4
56.96563	11.6
57.03437	0.9
59.52150	0.2
59.91770	0.2
61.02913	0.6
64.38703	0.2
65.03931	2.4
67.04220	0.3
67.05484	0.5
68.00256	0.6
68.02651	0.3
68.05004	0.3
68.45266	0.2
68.95285	1.5
68.98282	0.4
69.03429	1.1
70.06577	0.5
70.85847	0.3
70.86164	0.2
71.02965	0.2
71.95264	0.9
72.96041	0.2
73.02908	0.6
74.97600	0.3
75.01035	0.4
77.00462	0.1
77.00804	1.5
78.52958	0.2
79.01842	0.2
79.04234	0.3
80.05013	9.5
81.03416	0.8
81.05353	0.2
82.01444	0.5
82.03748	0.9
82.05294	0.6
82.06580	2.0
83.00760	0.5
83.04973	0.7
83.06079	1.6
84.01557	0.7
84.96009	0.5
85.02907	0.4
86.01311	0.3
86.50587	0.2
86.99327	0.6
87.00459	0.2
87.04319	0.3
90.01540	0.5
92.01294	0.7
92.05003	3.8
93.03403	0.2
93.04523	0.7
93.05783	6.9
95.51185	0.2
95.52394	0.2
96.01595	0.2
96.04395	0.2
97.02913	0.4
98.01292	0.7
98.97578	3.3
100.02470	2.0
101.00880	0.3
101.02547	0.4
104.52835	0.2
105.00372	0.9
105.02044	0.2
105.53650	0.2
109.05258	0.6
110.06034	100.0
110.97581	1.2
111.00788	0.3
111.04430	0.7
111.05573	0.9
111.06379	1.6
111.09209	1.3
112.96712	0.2
116.98623	1.9
117.01987	0.3
118.03502	1.5
119.01859	0.5
120.03295	0.3
123.01382	0.2
128.98604	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01603	0.5
52.02982	0.3
53.03946	9.3
55.01870	1.1
55.05510	10.6
56.05021	0.3
65.03937	10.6
66.04719	0.8
67.05502	100.0
68.05025	1.7
68.05831	2.5
69.03445	0.4
69.04540	0.9
69.07066	8.0
69.59259	2.0
79.05490	17.6
80.05821	0.7
80.06265	1.1
81.02935	0.5
81.03417	12.6
81.07051	48.4
82.06588	1.4
82.07393	1.3
83.06097	0.6
85.05403	0.3
87.00457	1.3
91.05477	17.1
92.04989	0.3
92.05808	0.8
94.04181	25.0
94.07809	1.6
95.04485	0.7
95.05010	0.7
98.21299	0.9
105.07050	0.6
107.04952	9.8
107.08591	3.3
108.05280	0.3
109.02876	4.8
109.06514	47.4
109.07592	3.5
109.10151	51.2
110.06039	1.5
110.07198	3.3
110.10472	1.6
111.04444	1.9
113.96413	0.6
117.92457	0.3
119.06053	1.3
121.03974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00306	0.9
53.03946	11.1
55.05511	11.1
61.48532	0.5
65.03941	4.5
67.05505	100.0
68.05844	2.3
69.07060	6.6
79.05492	11.2
80.06282	1.4
81.02933	1.0
81.03419	20.6
81.07053	35.8
82.07391	0.9
86.50622	1.1
87.00464	3.0
91.05470	2.5
94.04189	1.9
94.06129	0.5
94.07833	1.4
95.05013	0.6
98.51256	0.8
105.07050	0.7
107.04948	0.7
107.08579	4.0
109.02880	11.4
109.06517	7.7
109.07670	1.1
109.10154	46.2
110.03212	0.6
110.06032	2.1
110.07146	0.9
110.10497	1.6
112.96701	0.8
113.96426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02378	0.6
51.93738	0.4
52.29016	0.4
53.03944	3.4
55.01870	0.6
65.03938	14.5
67.04238	0.9
67.05489	3.1
69.19274	2.4
69.19709	2.2
77.03936	0.9
79.05488	19.4
80.05031	2.6
91.05477	100.0
92.05782	1.6
92.06261	2.7
95.04969	5.8
105.04543	1.1
105.07027	27.8
106.07331	0.6
107.04953	14.6
107.06084	1.5
107.08586	29.1
108.05569	0.9
108.08106	1.3
108.08890	1.1
109.06512	13.7
117.51274	0.4
119.06062	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.06118	0.4
51.02382	0.6
53.00310	0.6
53.03947	10.9
55.01873	0.6
55.05512	10.9
57.19935	0.4
65.03941	5.3
67.05504	100.0
67.68243	0.4
68.05846	2.4
69.07071	7.1
71.51231	0.7
71.75977	0.5
79.05492	12.9
80.06273	1.2
81.03419	21.7
81.07056	32.9
82.07396	0.6
86.50622	1.8
87.00456	3.1
91.05483	2.6
93.71864	0.5
94.04187	2.2
94.07823	1.0
96.01005	0.7
98.01393	0.5
98.51259	1.3
99.89906	0.5
107.01773	0.4
107.04993	0.6
107.08596	3.5
109.02882	12.5
109.06511	6.9
109.07658	1.1
109.10153	43.0
110.06060	3.1
110.07169	2.8
110.10490	1.2
112.96722	0.8
113.65536	0.5
113.96389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02377	0.5
53.03944	1.6
53.50536	0.3
53.79152	0.2
55.01869	0.7
55.05479	0.3
56.39701	0.3
65.03938	14.0
67.04256	0.4
67.05504	2.5
69.88702	1.2
79.05490	13.5
80.04990	1.3
80.31104	0.2
81.03384	0.3
89.64907	0.2
91.05478	100.0
92.05779	1.9
92.06294	2.5
95.04964	3.6
98.21510	0.3
103.05463	0.6
103.46608	0.2
105.04504	1.1
105.07028	29.3
106.04149	0.6
106.07333	0.6
107.04958	7.4
107.06087	0.9
107.08587	29.3
108.05595	0.5
108.08108	0.7
108.08915	0.8
109.06512	13.8
110.06846	0.3
114.82261	0.2
119.05231	0.5
119.06060	7.3
120.06349	0.2
120.94511	0.3
124.05212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.7
51.02390	0.4
53.03943	4.6
55.01879	0.8
65.03937	13.2
66.04246	0.6
67.04227	1.1
67.05505	2.7
70.24817	1.4
77.03917	0.8
79.05489	19.1
80.05009	4.0
91.05475	100.0
92.05804	1.1
92.06303	3.5
93.05812	0.5
95.04964	7.6
103.05508	0.8
105.04514	1.6
105.07026	28.0
106.04194	0.7
106.06561	0.6
106.07340	1.0
107.04956	19.2
107.06044	2.5
107.08585	29.7
108.04480	0.8
108.05586	0.5
108.08095	1.3
108.08846	0.6
109.06509	15.8
110.06803	0.5
119.06055	7.8
124.05154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	5.3
51.02376	23.4
52.70162	1.5
53.00310	10.8
53.03946	24.7
55.01871	64.4
55.97033	1.4
58.38118	1.3
61.87740	1.5
62.65928	1.3
65.03939	11.2
67.05476	1.8
69.77052	7.1
77.03922	2.9
79.01850	36.7
79.05489	36.2
79.05933	1.1
80.05016	2.1
81.03432	2.0
85.18208	1.4
91.05479	75.3
93.05772	2.7
95.04964	30.5
98.21483	3.1
105.04504	8.1
105.07026	22.4
107.01315	49.9
107.04948	100.0
107.08579	21.1
108.01656	1.4
108.04499	1.8
108.05318	1.4
108.08092	6.0
109.01984	1.5
109.06502	8.2
110.67057	1.4
119.06071	4.7
120.83229	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01581	0.5
50.62401	0.4
51.02380	2.7
53.03946	10.9
55.01858	0.4
55.56153	0.5
62.30877	0.5
65.03933	2.0
67.26289	0.4
69.56844	0.4
69.75990	1.0
69.76402	1.5
70.71393	0.4
77.03919	3.3
79.05491	51.3
80.05812	0.9
81.03410	1.2
95.04961	18.1
100.21674	0.5
103.05464	29.2
104.05765	0.6
105.04523	6.0
105.07026	100.0
106.06628	0.7
106.07363	2.0
118.06529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.8
53.03714	0.8
53.03947	12.5
55.01862	0.6
60.08155	0.8
61.08500	0.9
65.03931	2.6
71.30734	0.9
72.89748	0.5
77.03928	2.8
79.05492	47.9
80.05826	0.6
81.03424	1.3
95.04964	21.5
96.04459	0.7
103.05466	31.7
105.03396	1.5
105.04524	8.1
105.07029	100.0
105.11047	3.5
106.06568	2.4
106.07366	2.2
118.06561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	1.9
53.03714	0.8
53.03944	13.8
60.08158	1.0
61.08492	0.9
65.03923	2.3
70.86591	1.2
77.03918	2.2
79.05489	48.6
81.03408	1.2
95.04961	18.7
103.05460	30.5
105.03419	1.2
105.04523	6.5
105.07023	100.0
105.11078	2.3
106.06546	1.6
106.07355	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	5.3
59.07380	1.7
60.08162	50.3
61.03189	0.2
61.08503	0.4
69.03434	0.4
70.66774	0.5
72.96938	0.2
87.04466	0.7
104.10740	100.0
105.11063	1.1
110.00909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
74.58392	0.4
76.03138	0.5
77.03922	1.2
79.05497	2.2
80.04990	1.0
81.03406	4.0
81.05805	0.5
81.07030	0.7
82.06580	0.8
85.02892	1.4
89.03925	1.6
90.04717	0.5
91.05473	35.4
92.05001	0.5
93.05766	1.1
93.07031	2.1
94.06567	6.4
95.04969	1.2
95.07362	1.2
96.08126	4.7
97.02868	0.8
97.06487	0.5
99.04429	0.6
103.05465	1.9
105.03367	0.7
105.07034	0.6
106.06554	4.4
107.07329	2.1
108.04495	0.8
108.08106	8.9
109.02885	1.0
109.08990	0.4
110.06030	1.2
110.09671	8.6
116.04985	1.2
118.04146	0.6
118.06516	1.3
119.04932	46.4
120.04458	2.0
120.05198	1.1
120.07251	0.7
120.08097	8.9
120.26289	0.5
121.06466	0.5
122.06018	10.9
122.09678	3.1
123.04478	0.4
124.07587	4.9
127.03889	0.5
129.03333	0.9
131.04919	0.6
132.02051	1.5
132.08084	1.5
133.02902	0.7
134.05980	1.8
134.09631	1.7
135.04433	0.6
136.05247	0.5
136.07578	13.1
137.05956	0.5
138.05490	1.6
138.09129	12.4
144.04420	2.1
145.02814	1.1
146.06004	14.5
146.09599	1.4
147.04399	41.1
148.07558	9.5
148.08719	0.8
149.02321	1.7
150.05496	0.7
150.09131	9.8
150.54236	0.4
152.07054	10.4
157.03949	3.8
158.06007	1.2
160.03891	0.9
160.07561	1.8
162.05479	1.5
162.09128	0.7
163.03847	1.0
164.04733	0.9
164.07053	6.1
166.08623	38.1
167.09007	0.8
172.03918	9.4
172.07492	0.7
174.05493	1.4
174.09181	1.4
175.03894	73.5
176.04240	1.3
176.07068	1.3
178.08521	0.7
179.06989	3.4
182.08096	1.4
182.09624	0.5
183.09174	0.7
184.09894	1.0
186.05399	0.6
186.09140	0.5
190.04979	8.2
192.04135	1.2
192.06439	0.5
192.10202	0.8
194.08182	0.8
195.09077	0.7
197.10713	1.9
198.11467	2.2
199.12303	1.1
200.07001	0.8
204.04813	0.3
204.06548	12.8
207.06509	100.0
208.06912	1.7
209.10759	2.1
210.09642	0.5
210.11479	2.8
211.08591	1.1
211.12276	4.2
212.13092	1.3
213.10167	0.6
213.13823	0.9
218.08156	3.2
219.06496	3.4
221.10785	1.5
222.11450	0.7
223.08646	0.7
223.12207	4.0
224.09174	0.6
224.13075	1.1
225.10182	3.2
225.13832	1.7
226.10956	1.9
227.11778	2.8
235.08701	2.8
235.12260	1.5
236.09314	2.1
236.12958	1.0
237.10147	5.9
237.13828	1.9
238.10966	5.4
239.11739	8.3
240.12523	1.2
241.09641	0.7
241.13428	1.2
243.11261	1.1
245.12848	0.8
246.07588	1.5
248.09320	2.4
249.10222	9.3
250.10954	8.2
251.05623	5.0
251.08084	0.8
251.11775	13.3
252.08733	1.2
252.12529	3.3
253.09700	1.9
253.13316	5.3
255.11197	2.1
256.11984	1.1
257.12793	2.0
258.13913	0.5
259.14319	1.6
261.09976	0.6
262.07034	1.2
262.10919	1.5
263.11780	24.1
264.08859	2.4
264.12509	6.1
265.09708	4.7
265.13321	10.3
266.10440	2.8
266.13962	1.2
267.11240	8.5
267.14264	0.9
269.12848	3.5
271.10809	1.0
271.14374	3.1
273.12384	2.5
275.11792	1.4
276.08725	1.6
277.09677	3.5
277.12698	0.5
278.10468	4.0
279.11258	19.1
280.11862	1.9
281.12787	10.4
282.09903	1.3
282.13516	0.6
283.10715	2.9
283.14304	1.3
284.11441	2.0
285.12305	10.3
287.13950	2.6
291.11227	22.8
292.11972	5.2
293.12799	15.5
294.10077	0.8
294.13156	0.9
295.10806	4.6
295.13965	1.0
296.11523	3.5
297.12308	25.6
298.12952	2.9
299.13861	13.9
304.08347	1.4
305.09125	0.6
305.14944	0.9
307.10779	3.3
309.08765	1.0
309.12296	18.8
310.12997	1.2
311.10254	2.0
311.13800	13.1
313.11923	1.5
313.15369	1.0
315.13373	7.6
316.14362	1.0
319.10733	12.5
321.12207	3.3
323.10318	3.9
323.16257	0.9
324.10922	0.9
325.11816	14.5
327.13419	3.6
328.14352	0.7
330.16031	0.8
333.12604	0.6
337.11792	60.1
338.12366	2.3
339.10156	0.5
339.13452	4.7
341.11252	1.1
342.12329	0.8
343.12820	2.0
351.10025	2.2
351.14117	0.8
355.12808	3.9
356.14029	0.9
357.14410	8.8
358.15347	1.4
359.16193	0.7
369.15054	6.9
371.15973	3.2
373.13760	0.8
382.12723	1.8
384.16986	0.8
386.18683	0.9
390.17966	0.7
392.19858	0.5
398.14706	0.8
399.15610	1.2
401.13318	7.5
401.17914	0.8
402.18164	1.0
404.19705	1.2
414.18341	0.6
415.14960	0.6
416.15900	1.9
418.21637	1.1
428.19852	0.7
430.17563	1.7
432.19119	2.3
433.15524	0.6
438.20215	0.6
440.16125	0.8
444.19138	2.5
446.20572	3.7
448.22125	2.0
449.19168	1.0
450.19904	2.6
458.17026	2.1
461.19208	0.6
462.20282	3.0
464.21994	18.3
465.22217	0.8
472.18631	3.4
474.19885	1.5
476.17596	2.7
478.19852	2.5
482.19620	2.5
487.19794	0.5
490.19687	39.2
491.19852	1.9
492.20926	0.8
494.19034	2.1
504.21078	0.6
506.20624	1.0
508.20978	3.1
514.21381	1.3
516.19562	0.6
522.15045	0.8
522.22357	14.2
523.22491	1.0
526.21869	1.1
531.17328	1.3
534.19598	1.2
568.17719	0.5
583.25323	0.8
587.24762	1.4
593.23120	0.7
603.27515	2.0
611.25006	7.7
612.24756	0.6
626.27026	5.4
627.27881	0.6
628.25830	0.5
629.25934	14.6
630.25549	0.6
634.23157	0.6
639.25189	1.1
643.26929	0.7
647.27075	26.7
648.27051	1.5
652.25006	10.2
661.28400	0.8
665.22614	1.4
667.24792	1.4
678.24597	0.9
679.29694	5.0
683.24286	1.6
684.26953	1.6
693.23083	5.8
694.23224	0.5
696.25415	7.0
709.21637	0.7
715.31097	0.5
725.24524	1.3
791.29944	1.1
809.32349	3.1
814.31964	4.0
818.30457	1.3
822.28381	0.6
830.30713	1.0
832.32751	24.1
833.32971	1.3
840.30231	2.4
853.31396	0.6
858.30707	46.5
859.30682	3.4
860.32611	0.6
890.33423	8.6
891.33002	1.5
971.40540	0.6
979.34814	1.4
997.35760	2.0
1015.37958	8.2
1047.39136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	5.0
77.03896	1.4
79.05022	2.9
79.05489	82.5
81.03416	20.6
81.07052	83.6
82.86366	1.3
83.04977	13.2
83.08614	16.3
85.02908	18.7
85.06530	5.0
87.04480	1.6
91.03949	7.6
91.05479	100.0
92.05768	2.2
93.07037	79.1
94.07362	2.2
95.04961	25.8
95.08603	55.4
95.22383	1.2
97.02879	18.7
97.06514	21.2
97.10163	13.1
98.20715	2.3
98.21406	4.6
99.04459	2.2
99.08073	3.3
103.05462	3.9
105.04523	3.0
105.07025	75.2
106.07347	1.6
107.04956	14.7
107.08595	43.4
108.08961	1.9
109.02863	5.0
109.06506	8.7
109.10153	32.5
111.04419	3.2
111.08085	6.1
112.29181	1.5
113.09640	1.8
115.03973	1.2
115.05461	6.1
117.05561	1.6
117.07014	31.1
118.07782	1.4
119.04954	1.9
119.08576	50.2
120.08908	1.4
121.06516	6.8
121.10150	25.8
123.08047	9.0
123.11660	6.8
125.09637	13.1
127.03918	8.0
128.06216	7.5
129.05478	4.0
129.06982	19.9
130.07730	2.7
131.04988	1.3
131.08562	37.8
133.06494	4.5
133.10121	38.7
135.08034	5.7
135.11690	15.2
137.05980	1.8
137.09616	10.5
139.07524	1.6
141.06996	8.5
142.07771	6.2
143.08566	20.1
145.04959	4.0
145.06468	4.9
145.10107	31.1
145.11165	2.4
147.08075	6.4
147.11682	22.8
149.09631	17.0
149.13252	13.2
151.11180	4.6
153.07034	1.5
153.09206	1.6
155.08580	10.0
157.06328	1.7
157.08888	2.2
157.10117	18.1
159.07994	1.6
159.11678	26.7
159.12895	2.4
161.09663	3.7
161.13245	14.9
163.11192	10.0
165.12782	2.0
167.08528	2.8
169.10098	10.1
171.11664	16.5
173.09555	3.0
173.11749	7.0
173.13283	10.8
175.11172	3.6
175.14827	4.2
177.12715	6.7
179.08484	2.0
179.14281	5.0
181.10107	4.9
183.11687	9.3
185.09610	2.3
185.13211	9.6
187.11177	3.2
187.14851	4.7
189.11191	5.9
189.12628	2.6
193.10114	1.6
195.11710	4.5
195.13795	4.9
197.11661	1.5
197.13179	7.3
199.11250	1.7
199.13251	2.8
199.14865	7.8
201.12816	2.4
205.12311	2.0
207.11728	2.3
207.13708	2.8
209.13274	4.4
211.14825	5.0
213.12781	1.7
213.16440	3.3
215.14313	1.5
215.17882	1.6
217.10049	1.4
217.15982	2.5
219.13908	1.5
221.13268	2.4
223.14923	1.8
225.16301	1.4
227.12798	5.5
227.17908	2.1
229.14304	9.2
229.19594	2.9
233.15388	2.9
239.17908	3.1
241.19508	5.0
252.31596	1.3
253.18010	2.3
257.19098	8.0
259.20535	15.5
269.17331	13.5
273.18442	2.5
275.20074	32.2
281.17361	3.3
283.20450	2.9
287.45071	1.7
289.21448	2.1
291.19363	6.8
293.21048	2.2
301.21646	1.8
309.22021	2.4
311.23804	1.6
313.21701	2.3
315.23230	2.2
327.23383	1.6
331.23026	1.8
333.24228	14.3
334.24893	1.7
339.23022	1.8
349.23779	22.6
355.26218	1.7
365.23480	2.6
395.29471	1.6
403.30057	2.1
419.28775	1.6
421.30649	2.7
423.27222	2.6
431.28067	2.3
445.29321	2.0
469.32507	1.5
487.34262	4.7
495.35016	2.7
503.33246	2.2
513.35742	26.4
527.37512	4.0
543.36804	10.9
607.43298	12.2
608.43152	1.9
623.42633	4.1
625.44421	12.8
641.43976	3.5
813.60828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02894	2.8
76.32651	0.9
77.03893	1.9
79.05488	87.0
80.05805	1.9
81.03411	26.1
81.07050	100.0
83.04977	19.6
83.08614	24.1
83.09069	0.6
85.02905	14.1
85.06518	5.5
87.04459	1.0
91.03926	3.7
91.05474	97.5
93.07037	83.8
94.07381	1.6
95.01314	1.7
95.04381	2.1
95.04958	26.9
95.08600	62.8
97.02290	1.6
97.02882	14.4
97.06522	30.1
97.10165	22.3
99.04440	4.4
99.08069	4.7
103.03903	1.5
103.05457	4.0
105.04516	3.1
105.07022	68.7
106.07304	1.2
107.04944	23.2
107.08588	56.6
109.02884	7.1
109.06505	11.9
109.10148	53.3
110.10490	1.7
111.04422	4.3
111.08072	11.2
113.09624	3.4
115.05431	4.0
116.06267	1.3
117.07008	33.3
118.07275	1.2
119.04908	2.0
119.08574	47.4
120.05733	1.2
121.06495	9.3
121.10143	24.8
123.04407	2.8
123.08060	11.5
123.11707	7.9
125.05932	1.1
125.09620	20.2
127.03896	7.9
128.06210	4.0
129.05447	3.9
129.06992	15.0
130.07750	2.4
131.04942	1.4
131.08563	36.6
133.06488	6.3
133.10129	37.6
135.08051	11.1
135.11676	22.5
136.33920	1.0
137.09612	17.6
139.07513	2.8
139.11140	3.4
141.06990	6.2
142.07758	2.9
143.08551	12.7
143.10666	1.3
145.04968	2.2
145.06471	4.9
145.10118	32.3
147.08038	4.9
147.11682	22.7
149.09608	40.3
149.13234	11.0
150.09895	1.1
151.07523	1.3
151.11159	4.1
151.58846	1.0
153.09065	3.6
153.12708	1.3
154.12267	1.2
155.08572	7.2
155.10695	1.6
157.10101	12.0
159.08054	2.3
159.11688	26.9
161.09581	5.1
161.13243	11.8
163.11180	20.0
163.14806	1.7
165.09116	3.5
165.12726	2.5
167.08543	1.6
167.10655	1.7
169.10127	8.5
171.07985	2.1
171.10161	3.4
171.11665	10.2
173.04425	3.5
173.09579	2.3
173.11694	11.0
173.13246	10.6
175.11159	6.4
175.14777	3.6
177.12735	7.4
179.10611	2.3
179.14288	8.9
181.10118	2.2
181.12215	2.9
183.11598	5.8
185.09674	1.4
185.13219	5.2
187.11128	3.5
187.13332	1.3
187.14725	6.0
189.11176	11.0
189.12791	3.4
191.14325	2.5
193.12212	3.7
195.11736	2.6
195.13760	5.6
197.13254	4.9
199.11136	1.8
199.14862	2.0
201.12714	2.7
201.16374	1.3
205.12247	1.5
207.13829	1.2
209.13286	2.1
211.13040	1.6
211.14798	2.7
213.14665	1.4
213.16499	1.9
215.14348	1.6
217.15904	1.4
223.13275	3.3
225.16318	1.5
227.12718	18.4
227.17874	1.6
229.14301	21.1
229.19431	4.0
236.66649	1.2
239.17824	6.1
243.12192	1.1
243.15843	2.7
245.13782	1.7
245.19029	1.5
247.20535	4.7
253.14175	1.8
253.18002	3.3
255.15691	7.4
257.18991	16.2
267.15894	4.8
269.17435	19.7
273.18552	7.1
275.20035	66.6
276.20486	2.1
285.16992	1.5
291.19516	13.7
293.21008	8.1
303.23111	1.1
313.21716	1.9
321.24234	2.2
331.22556	4.6
333.24304	1.2
347.22260	1.6
349.23703	59.9
350.23819	2.2
353.05856	1.1
365.23395	7.7
367.24542	3.1
373.18329	1.9
383.24225	3.9
393.26279	1.3
399.23801	1.2
405.26212	1.5
409.25732	4.8
413.21637	1.3
423.27393	15.4
431.27921	2.1
437.29477	1.2
445.29330	3.7
449.29022	2.9
455.03165	1.1
465.15494	1.1
503.33606	13.7
517.35278	1.7
519.33429	2.0
521.33698	2.0
525.34851	1.7
527.36908	3.7
529.35272	8.9
541.34802	1.4
543.36719	25.3
544.37042	1.5
547.35779	2.3
559.35999	3.1
561.38135	1.8
567.31433	1.5
595.43921	1.1
623.43018	22.0
624.42828	1.3
641.43939	6.6
657.43378	1.8
705.01001	1.3
732.72632	1.2
837.33569	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.0
51.02386	2.8
53.03948	21.5
55.01863	2.1
56.05037	13.8
56.76409	0.5
56.96566	7.6
57.03436	5.5
57.04552	2.4
57.05373	10.6
58.02965	3.6
58.06314	0.9
58.06602	16.8
59.04997	1.0
59.06125	27.2
60.02179	0.5
60.04531	7.1
60.08165	6.7
60.95857	4.8
61.04049	1.2
62.06090	31.2
62.92999	0.6
68.05025	1.7
71.01334	1.2
71.07373	0.6
71.48853	0.5
72.04505	1.7
72.06892	1.1
73.07684	6.9
74.06066	2.1
75.04485	0.6
75.05608	6.9
75.94556	0.9
77.03925	3.7
80.17081	0.4
80.41140	0.5
81.03410	3.7
85.02906	7.4
85.04038	0.6
85.04835	1.4
85.07665	8.4
86.02422	0.6
86.03225	0.8
86.06068	21.3
86.09696	1.6
87.04456	0.7
95.04966	40.9
96.05302	0.5
102.04689	4.8
102.96845	0.7
103.03989	9.8
103.05468	100.0
103.08703	60.3
104.05802	1.2
104.07143	0.8
104.09063	0.6
104.10740	12.7
105.04512	12.7
105.05048	0.3
105.07547	0.5
109.02881	1.4
120.97893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	3.2
77.03890	1.8
77.17786	0.9
79.05488	92.4
80.05839	1.3
81.03410	23.4
81.07052	100.0
83.04974	18.9
83.08615	26.8
83.09121	1.1
85.02900	15.9
85.06550	5.4
91.03967	5.0
91.05475	96.2
92.05795	1.3
93.07038	87.8
94.07355	1.7
95.01309	1.9
95.04964	26.0
95.08604	65.2
97.02892	14.5
97.06523	33.2
97.10163	24.0
99.04449	3.6
99.08092	5.9
101.06012	1.5
103.05471	4.4
105.04518	4.0
105.07024	70.7
107.04952	23.1
107.08587	53.7
108.08946	1.1
109.02863	3.6
109.06504	9.8
109.10149	42.7
111.04456	3.1
111.08098	10.2
113.06034	1.3
113.09647	2.9
115.05463	4.5
116.06221	2.4
117.07005	27.9
119.04934	1.9
119.07709	2.7
119.08572	54.4
120.08755	1.1
121.06518	10.7
121.10143	24.8
123.04390	1.4
123.08064	10.6
123.11684	8.0
125.06031	1.5
125.09619	20.9
126.24681	1.1
127.03921	8.8
128.06200	3.7
129.05486	4.3
129.06992	16.2
130.07767	2.5
131.04890	2.0
131.08560	34.5
133.06516	4.5
133.10127	37.6
133.11108	2.2
135.08049	10.2
135.11679	21.5
137.05981	1.9
137.09610	17.6
139.11201	3.7
141.07010	6.4
142.07823	2.7
143.07074	1.0
143.07423	1.2
143.08568	12.1
143.10583	1.0
144.09270	1.7
145.05037	2.5
145.06485	3.1
145.10114	32.3
147.08049	4.4
147.11690	19.0
149.09610	42.2
149.13278	11.6
151.11191	6.2
153.09145	1.6
154.07762	1.3
155.08510	7.2
155.10683	3.2
157.06525	1.7
157.10123	11.9
159.08098	3.0
159.11694	22.9
161.09653	4.7
161.13257	10.0
162.93871	1.1
163.11185	19.7
165.09102	2.9
165.12740	3.0
167.08514	1.6
168.09399	2.0
169.10124	8.4
171.07974	1.2
171.10223	2.2
171.11711	12.0
173.04475	3.1
173.09642	3.0
173.11754	13.7
173.13281	10.6
175.11122	5.5
175.14830	1.7
177.12784	7.1
179.10629	2.4
179.14290	8.6
181.10146	3.0
183.11647	7.7
185.13252	5.2
187.11172	4.1
187.13287	1.4
187.14868	3.7
189.11226	9.5
189.12761	3.0
189.16510	1.2
193.10246	1.4
193.12312	2.9
195.10034	1.3
195.11847	2.5
195.13821	6.7
197.13268	4.8
199.11324	1.1
199.14850	2.6
201.12762	2.3
201.16402	1.3
203.14249	1.7
205.12233	2.4
207.13779	1.9
209.13332	2.5
211.13242	2.7
211.14935	2.3
213.12898	1.3
213.16423	2.1
215.14474	1.8
215.18021	1.8
217.15997	2.1
219.13786	2.2
221.13263	1.8
223.13173	2.3
227.12737	20.1
227.17860	1.3
229.14310	17.8
229.16292	1.6
229.19498	3.5
233.13239	1.1
233.15454	2.6
235.16930	1.2
239.17908	5.0
243.15977	2.6
245.13829	1.9
245.18895	1.2
247.20619	4.4
251.16411	1.9
253.14304	2.3
253.17961	2.6
255.15715	7.4
257.18967	13.9
259.20532	2.3
263.20352	1.4
267.15970	3.3
269.17484	18.2
273.18521	7.2
275.20059	64.4
276.20490	1.9
277.21671	1.2
281.13834	1.6
283.20694	1.4
285.16937	1.6
291.19534	13.5
293.21088	6.9
295.20700	1.8
301.21606	1.2
309.20578	1.8
313.21625	2.0
321.24176	2.3
331.22705	3.9
339.18417	1.5
347.22354	1.1
349.23715	57.0
350.24084	2.6
365.23358	6.7
367.24823	2.9
373.18665	1.7
383.24139	3.2
399.23898	1.8
409.25687	6.1
423.27390	13.2
433.30289	1.5
437.29324	2.4
445.29150	1.5
449.28952	2.4
465.29004	1.4
485.33249	1.3
503.33731	14.5
511.34396	2.2
517.35596	2.4
519.33221	2.6
525.35394	3.2
527.37128	4.1
529.35455	7.5
541.34875	2.1
543.36731	22.4
559.36090	3.4
561.37836	2.3
567.31232	1.4
605.41406	2.3
623.42908	21.3
641.44220	5.1
705.41992	1.5
922.93756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	1.4
71.03125	1.6
71.03476	2.8
71.04987	6.2
71.08292	1.1
71.08623	6.9
73.02900	4.7
73.49436	1.2
77.03919	1.6
77.80598	1.3
79.05490	77.4
80.05818	2.0
80.36768	1.1
81.03414	18.3
81.07052	100.0
83.04977	17.2
83.08616	21.4
85.02901	28.2
85.06540	5.4
87.04463	2.0
91.03950	9.2
91.05476	80.5
93.07040	95.6
95.04960	21.2
95.08605	60.4
95.09082	1.0
97.02888	22.9
97.06519	13.9
97.10162	9.1
99.04437	4.9
99.08083	9.0
103.05481	3.7
105.04521	4.2
105.07026	59.6
107.04951	7.6
107.08590	47.2
109.02892	3.4
109.06508	7.2
109.10149	26.5
111.04443	3.5
111.08067	7.0
113.06028	1.5
115.05432	5.3
116.06199	1.9
116.49686	1.2
117.07013	35.7
119.08575	50.5
121.06487	4.9
121.09329	2.4
121.10136	29.4
121.10939	2.3
123.08061	5.6
123.11708	8.1
125.09618	4.4
127.03902	12.0
128.06194	5.6
129.05504	7.0
129.06985	18.4
130.07803	3.2
131.04921	1.4
131.08559	43.7
131.57785	1.2
133.06502	2.6
133.10127	38.1
135.08047	4.8
135.11684	20.5
137.09621	3.2
137.13196	2.3
139.11212	2.2
141.06981	5.9
142.07747	3.9
143.08559	18.4
144.09271	1.9
145.04935	9.9
145.06505	2.3
145.10115	33.6
145.53256	1.2
147.08037	2.7
147.11684	25.3
149.09572	6.9
149.13248	17.8
151.11151	5.0
155.08565	7.9
157.10110	16.3
159.11688	28.0
159.23618	1.2
161.09636	2.4
161.13251	15.7
163.06050	3.1
163.11200	7.2
163.14815	4.7
165.12776	3.1
167.08571	2.4
169.10155	8.4
171.11655	18.1
173.04427	2.1
173.11798	2.9
173.13231	16.1
175.11177	2.5
175.14812	6.6
177.12727	5.2
177.16380	2.9
179.08609	1.3
179.14275	3.5
180.09244	1.2
181.10092	4.4
183.11705	8.4
185.13232	9.2
187.11206	1.9
187.14795	6.1
189.11169	3.4
189.12762	2.9
189.16406	2.3
191.14389	1.3
191.17957	2.0
193.10100	1.6
193.12209	2.0
195.11685	5.5
195.13811	5.7
197.13266	7.1
199.14734	6.0
201.16412	4.3
203.14259	1.4
203.17932	1.6
205.12280	1.5
207.11786	2.3
207.13713	2.4
209.13208	4.0
211.14856	3.4
213.16383	5.0
215.14308	2.1
215.17961	2.0
217.19475	1.6
221.13371	1.4
223.14859	3.7
225.16382	3.7
227.12758	2.7
227.17992	3.3
229.14287	2.0
229.19537	3.9
231.17516	2.0
231.21071	2.0
235.14832	1.9
237.16553	1.7
239.18007	3.0
241.19524	6.9
243.17407	1.9
243.21109	6.3
245.13811	1.9
247.20662	1.3
251.18065	1.4
257.18991	5.2
259.20532	14.4
261.22205	9.5
261.24734	1.9
267.15982	3.2
269.17444	20.0
271.20419	1.6
275.20081	6.8
277.21536	3.7
281.17612	2.2
285.21896	1.4
297.22086	1.7
299.20145	1.3
301.21762	1.7
315.23181	3.1
317.24799	2.2
333.24167	11.9
335.25842	14.6
337.27298	2.8
339.22913	1.5
349.23663	4.3
351.25079	5.0
363.26376	1.7
389.61710	1.4
405.44284	1.2
423.32312	1.5
435.32388	2.8
437.34048	3.3
447.31473	2.1
453.33530	2.6
455.35324	1.7
456.39337	1.5
463.30542	2.2
473.36249	1.4
475.30673	1.5
487.33762	1.6
511.37457	1.9
513.35449	3.5
515.37189	3.8
517.39722	2.0
519.41821	2.8
527.37421	11.9
529.38965	15.2
541.39087	2.4
545.38300	2.4
547.39990	1.7
593.45337	2.6
609.44897	9.4
611.46698	46.3
627.46582	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	1020.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	4.3
71.08645	11.6
71.12515	5.0
73.02887	3.1
79.05020	2.7
79.05491	78.3
81.03420	17.5
81.07054	100.0
81.38774	2.1
83.04977	12.7
83.08224	2.3
83.08621	22.2
85.02909	18.2
85.06514	4.3
91.03941	6.0
91.05478	83.0
93.07040	84.5
95.04961	19.2
95.08599	63.4
97.02895	11.9
97.06513	11.4
97.10152	12.2
99.04465	3.7
99.08101	12.7
103.03928	2.7
103.05501	2.4
105.07026	69.6
107.04927	11.2
107.08595	51.5
109.02821	3.8
109.06509	8.2
109.10160	31.1
111.08047	7.9
113.09622	3.2
115.05452	4.1
117.06253	2.5
117.07013	26.1
119.06082	2.3
119.08587	48.2
119.09364	1.9
121.06493	6.8
121.10139	29.6
123.08046	5.9
123.11703	8.9
125.09624	12.0
127.03882	7.5
128.06221	4.6
129.05464	5.6
129.07004	22.7
131.08568	42.6
133.06424	2.1
133.10120	35.6
135.08023	6.2
135.11679	18.0
137.09550	6.5
139.11195	5.6
141.06960	5.5
142.07750	3.8
143.08575	16.4
145.04929	2.9
145.06540	2.5
145.10121	24.1
147.08046	4.5
147.11684	22.3
149.09593	10.7
149.13237	15.8
151.11165	7.3
152.28700	2.4
153.04134	2.2
155.08531	9.0
156.09366	2.1
157.10138	13.0
159.11705	20.5
161.09604	3.6
161.13286	12.7
163.11203	10.5
163.14833	3.6
164.25597	2.3
165.12753	3.1
167.08592	3.2
169.10126	8.3
171.11688	13.0
173.04460	4.3
173.09636	3.3
173.11815	3.9
173.13275	10.9
175.14778	4.4
177.12689	6.0
177.16434	2.4
179.14268	3.2
181.10039	4.0
183.11688	9.1
184.07390	2.8
185.13229	9.1
187.11136	4.4
187.14758	5.8
189.11212	4.4
189.12759	3.5
195.11684	4.2
195.13789	6.7
197.13216	5.4
199.14848	5.1
201.16519	2.8
211.14830	6.1
213.16446	3.2
215.17812	2.8
221.13208	2.9
225.16325	2.6
227.12720	10.6
227.17828	3.3
229.14357	5.2
239.17940	3.5
241.19458	7.1
243.20979	4.9
253.14417	2.8
255.15883	6.5
257.19064	5.7
259.20667	13.3
261.22012	5.8
267.15839	2.9
269.17456	28.0
273.18448	3.0
275.17294	3.3
275.20038	23.9
277.21698	10.9
291.19580	4.1
293.20972	5.9
297.22192	2.2
315.23251	3.5
317.24689	3.9
333.24219	7.6
335.25726	10.0
349.23746	14.9
351.25211	9.1
367.24838	5.1
430.50085	2.2
437.34470	4.3
445.29370	2.6
449.29089	6.0
463.30408	6.8
489.35562	5.8
497.36227	2.9
511.37488	3.5
513.35413	9.3
515.37347	16.0
517.40808	2.8
527.36987	12.4
529.38629	20.7
535.41364	3.3
543.36627	9.7
545.38007	4.4
561.37268	3.6
609.45135	27.8
625.43750	3.0
627.45856	21.4
643.45575	3.3
694.12964	2.2
935.45526	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	1018.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01336	0.9
71.04989	5.8
71.52287	1.5
73.02897	2.2
77.03914	2.5
79.05486	73.1
80.05833	1.2
81.03410	16.9
81.07050	100.0
83.04179	0.8
83.04974	14.8
83.08614	20.6
85.02898	9.7
85.06543	4.5
91.03957	2.8
91.05475	65.4
93.07034	75.9
95.01284	1.1
95.04960	18.0
95.08598	43.3
97.02888	8.7
97.06523	19.4
97.10155	12.0
99.04435	2.1
99.08090	4.6
103.05463	2.9
105.04499	1.4
105.07021	50.6
107.04943	13.8
107.08582	46.4
109.02861	4.7
109.06515	10.2
109.09468	1.6
109.10146	17.0
111.04417	2.1
111.08073	8.0
113.05985	0.9
113.09618	2.4
115.05450	2.9
116.06187	1.2
117.07014	25.5
119.08574	34.7
121.06487	8.6
121.10128	21.0
123.04383	1.4
123.08067	5.0
123.11681	6.7
124.05968	0.9
125.05959	0.8
125.09597	7.9
127.03924	5.5
128.06183	2.1
129.05518	1.4
129.06978	10.8
130.07744	2.0
131.04959	0.9
131.07603	1.7
131.08557	28.8
131.09541	1.6
133.06476	3.3
133.10121	32.9
134.10455	1.0
135.08034	7.8
135.10701	1.8
135.11681	21.0
137.09621	5.0
139.07516	1.3
139.11136	2.2
141.06967	4.9
142.07742	1.8
143.08551	8.8
144.09306	1.5
145.04929	2.1
145.06438	2.5
145.10110	22.5
147.08022	3.7
147.11664	17.2
149.05959	0.9
149.09612	17.1
149.13251	17.1
151.11157	1.9
153.09177	1.0
154.07796	1.3
155.08537	5.6
156.09189	1.3
157.06505	1.2
157.10118	7.2
158.74113	0.9
159.08041	2.4
159.11673	17.9
161.09612	3.7
161.13214	5.2
163.11174	11.9
163.14853	1.1
165.12746	2.4
167.08592	1.3
169.10126	5.4
171.08023	1.0
171.10345	1.0
171.11649	6.0
173.04445	4.5
173.09608	2.0
173.11845	1.1
173.13216	7.2
175.11169	3.0
175.14799	1.1
177.12692	4.6
179.08452	1.1
179.10800	1.0
179.14284	4.0
181.10143	2.6
181.12212	2.1
183.11632	5.4
185.09573	1.0
185.13232	3.3
187.11166	2.3
187.14803	2.5
189.11278	4.6
189.12747	1.4
191.10666	1.0
193.12312	1.4
195.11732	2.2
195.13785	7.7
197.13173	3.3
199.14830	1.5
201.12706	2.3
203.14325	0.9
209.13283	1.9
211.14845	2.3
213.14711	1.8
213.16481	1.4
218.70251	0.9
219.11606	1.1
219.13834	0.9
227.12743	11.1
229.14340	2.3
229.19522	2.3
239.17914	3.8
245.13696	1.0
247.20610	2.7
251.16476	1.4
253.14258	1.8
255.15852	12.5
257.18970	10.6
259.20416	1.4
261.14941	0.9
267.15860	4.1
269.17438	40.3
270.17847	1.3
275.20059	40.1
276.20377	1.6
291.19577	1.5
293.21075	3.7
299.19894	1.0
309.20508	1.0
321.24286	1.5
331.22665	2.7
335.22983	1.0
349.23700	34.6
353.24692	1.2
365.23224	1.4
367.24734	7.0
395.20383	1.0
409.25595	0.9
413.21634	1.4
423.27185	2.2
423.32260	1.3
431.27664	1.5
433.30377	1.5
435.27170	2.4
439.27106	0.9
440.13589	0.9
445.29437	3.9
447.30951	1.3
449.28983	22.1
451.32278	1.3
463.24200	1.7
463.30496	33.8
469.32938	1.6
503.33527	1.5
511.34042	1.2
515.37134	2.2
519.33142	1.6
525.35614	5.2
529.35345	10.0
543.36743	46.7
544.36847	3.0
547.35913	2.3
561.37897	8.1
593.32721	1.5
605.41522	1.2
607.35291	4.0
623.42914	9.0
641.44006	5.5
659.44373	1.1
669.39349	1.9
687.40405	2.4
705.41010	1.7
765.41101	1.0
838.58899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	1.7
71.04995	6.7
71.08632	1.5
73.02906	4.5
77.03929	3.1
79.05489	83.9
81.03417	21.2
81.07054	98.5
83.04980	15.8
83.08158	1.3
83.08617	18.6
85.02456	1.1
85.02909	17.0
85.06558	5.3
86.09728	1.1
87.04477	1.0
87.38525	0.9
91.03959	5.1
91.05476	100.0
92.05800	1.2
93.07040	81.6
94.07378	1.1
95.04964	23.3
95.08603	54.8
97.02887	12.1
97.06525	17.5
97.10157	8.4
98.95996	1.0
99.04433	2.8
99.08062	6.4
103.05445	3.2
105.04517	3.4
105.07025	80.2
106.07352	1.7
107.04952	10.6
107.08584	49.5
108.08896	1.6
109.02870	3.8
109.06518	8.3
109.10149	23.4
110.82411	1.0
111.04434	2.2
111.08060	10.1
113.05982	1.6
113.09614	2.0
115.05442	6.5
116.06247	1.3
116.93877	1.0
117.07010	31.8
119.04966	1.5
119.08576	56.6
121.06500	7.6
121.10137	26.2
123.08077	7.2
123.11748	6.6
123.33538	1.0
125.09632	7.1
127.03903	9.0
128.06255	6.5
129.05470	4.0
129.07002	22.9
130.07765	2.6
131.04907	1.5
131.08562	44.3
133.06473	4.0
133.10124	47.5
135.08070	7.9
135.11685	24.4
137.09621	5.5
139.11166	1.5
141.06990	5.5
142.07768	3.3
143.08557	17.5
144.09344	2.9
145.04958	2.8
145.06422	2.1
145.10118	35.0
146.10648	1.1
147.08075	6.1
147.11685	30.0
149.09616	13.5
149.13260	15.7
151.11156	6.0
153.06906	1.3
153.08949	1.1
154.07780	1.3
155.08534	8.2
155.10609	1.3
156.09378	1.2
157.10129	17.7
159.08116	1.6
159.11685	24.8
161.09625	4.4
161.13245	16.6
163.06018	1.2
163.11188	9.4
163.14824	2.4
165.06996	1.7
165.09093	2.2
165.12714	2.5
166.07721	1.7
167.08553	3.2
167.42125	1.0
168.09256	1.1
169.10147	10.0
170.10896	1.5
171.08022	2.0
171.10292	1.8
171.11681	17.3
173.04459	3.1
173.09610	3.2
173.11807	2.2
173.13231	14.8
175.11208	4.8
175.14784	5.0
177.12744	5.3
179.08537	2.3
179.10617	1.2
179.14322	3.1
181.10135	3.8
181.12193	1.8
183.08086	1.2
183.11665	9.6
184.07338	1.9
185.13261	11.3
187.11185	3.0
187.13310	1.0
187.14737	4.9
189.11223	2.3
189.12740	1.6
189.16327	2.3
191.14339	1.8
193.10107	2.1
193.12247	1.8
195.11679	4.4
195.13802	6.7
197.11646	1.0
197.13206	5.0
199.11215	1.5
199.13278	1.1
199.14772	5.5
201.12653	1.8
201.16394	1.8
203.14368	1.5
207.11711	2.1
207.13669	1.4
209.13284	3.7
211.14804	3.1
213.12775	1.7
213.16373	4.3
215.14372	1.3
219.11708	1.2
219.13785	1.2
221.13342	1.8
223.14821	2.6
225.12811	1.0
225.16385	1.7
227.12756	4.0
227.17958	2.4
229.14330	3.5
229.19511	2.2
230.15601	1.1
231.21043	2.2
233.15327	1.7
235.14876	1.7
235.16983	1.9
237.16426	2.0
239.17941	4.3
241.19496	10.3
243.15843	2.6
245.18997	1.4
246.53102	1.1
247.20493	2.3
253.14333	4.0
254.14720	1.3
255.15842	8.5
257.19009	7.7
259.20551	24.9
267.15918	4.3
269.17465	29.3
273.18509	3.7
275.20047	25.7
276.20651	2.0
277.21506	1.9
285.17126	1.9
287.16415	1.0
287.20117	1.1
291.19495	5.6
293.21167	2.3
297.21927	1.7
301.21552	2.4
309.22186	1.2
313.21750	1.1
315.23199	4.5
321.21689	1.1
331.22729	1.8
333.20432	1.6
333.24243	20.9
335.25613	2.4
339.23456	1.4
349.23804	18.5
351.25189	1.8
365.23441	4.1
367.25006	2.6
433.30704	1.7
435.32501	2.8
449.29004	3.7
453.33575	2.3
461.29044	1.8
463.30624	11.5
469.33044	1.1
471.34344	1.2
487.34552	1.5
501.35513	3.1
509.35815	2.4
513.35828	12.3
515.37531	1.6
525.35535	2.2
527.37341	18.0
529.34680	2.6
533.39209	1.2
537.35541	1.7
543.36786	10.1
544.36810	1.4
545.38245	3.3
559.36340	6.5
561.37286	1.9
597.44653	1.3
607.43512	9.4
623.42267	3.2
625.44250	9.7
641.43896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04995	7.6
73.02912	2.7
74.48131	1.5
77.03864	1.8
79.05025	2.8
79.05490	74.9
81.03417	22.8
81.07053	100.0
82.07389	1.3
83.04983	16.6
83.08614	20.9
84.08900	1.4
84.40467	1.2
85.02908	12.0
85.06525	5.9
91.03966	2.5
91.05478	74.2
91.51025	1.5
92.05776	1.7
92.75484	1.6
93.07041	78.3
95.04960	16.9
95.08604	47.2
97.02882	10.2
97.06524	26.0
97.07144	1.9
97.10172	15.5
97.29981	1.3
99.04424	4.0
99.08075	4.1
103.05444	2.8
105.07027	57.7
107.04948	14.3
107.08586	56.9
107.09314	2.7
109.02876	4.2
109.06512	10.4
109.09397	1.7
109.10147	20.5
111.04434	2.5
111.08075	8.4
113.05979	1.9
115.05422	4.0
117.06225	2.5
117.07017	28.7
119.08581	40.0
121.06519	7.8
121.09345	2.0
121.10142	26.6
123.08047	7.0
123.11669	7.3
125.09630	13.3
127.03929	7.6
128.06187	3.0
128.71275	1.4
129.05492	1.6
129.06990	11.9
130.07782	2.4
131.08560	34.2
133.06461	5.1
133.10130	39.6
135.08063	9.6
135.11699	21.1
137.09583	4.8
139.11137	1.8
141.06947	5.1
142.07761	2.6
143.08569	9.5
145.04955	3.6
145.06479	2.6
145.10127	31.1
147.08038	5.4
147.11682	21.5
149.09636	21.7
149.13266	16.8
151.11166	5.1
153.09077	2.3
155.08533	5.6
156.09322	2.0
157.10123	13.1
159.08052	2.8
159.11694	26.9
161.09608	3.9
161.13281	7.2
163.11172	12.8
163.14790	1.4
165.12747	3.2
169.10074	7.3
171.11652	8.4
173.04439	5.3
173.09590	3.2
173.13231	10.1
175.11165	2.7
175.14786	1.4
177.12715	6.5
179.14301	5.3
181.10112	2.9
181.12216	2.0
183.11699	7.9
184.07321	2.1
185.09711	1.5
185.13211	5.3
187.11154	3.2
187.14809	3.1
189.11192	7.2
189.12686	2.5
191.14275	2.1
193.10100	1.4
193.12292	1.6
195.11951	2.1
195.13770	8.4
197.13255	5.4
199.14796	2.4
201.12761	2.7
207.11649	1.7
207.13788	1.6
209.13274	2.8
211.14862	3.6
213.14746	2.0
213.16492	1.8
217.15929	1.5
225.16420	2.3
227.12755	19.0
227.17979	1.4
229.14272	3.7
229.19447	2.1
233.15317	1.7
239.17896	5.3
245.13716	3.4
247.20534	5.1
255.15854	15.8
257.18979	19.0
259.20609	2.3
261.14636	1.6
262.64151	1.3
267.15863	5.2
269.17447	45.1
273.18338	1.8
275.20056	70.4
276.20355	1.9
291.19550	2.5
293.21048	4.7
303.15836	1.7
321.24326	1.5
331.22696	6.2
349.23724	60.9
351.25500	2.0
367.24820	8.3
369.23959	1.9
401.23645	2.1
423.27463	4.2
431.27927	1.9
435.27167	2.8
439.25925	2.3
445.29343	3.0
447.31400	2.0
449.29007	23.5
451.32370	2.1
463.30505	35.1
484.19867	1.5
485.32144	2.0
487.34042	1.6
493.27438	1.5
503.33713	2.5
511.34659	2.2
515.37195	2.7
519.33044	3.0
525.36145	8.9
527.36389	1.8
529.35468	13.6
543.36816	67.1
544.37140	2.4
547.35931	2.4
561.37860	11.3
583.39893	2.6
593.33234	1.8
607.34442	4.7
623.42938	20.9
641.44037	9.7
687.40741	4.0
705.41425	2.1
775.84332	1.4
785.47998	1.5
802.27606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01340	2.0
71.04988	6.1
71.08634	0.9
73.02905	4.9
77.03917	2.5
79.05489	82.8
80.05786	0.8
81.03420	17.4
81.07052	95.4
83.04969	17.0
83.08616	14.3
85.02903	28.6
85.06539	5.4
87.04482	1.3
91.03957	10.1
91.05476	100.0
93.07038	90.0
95.04969	19.9
95.08601	60.9
97.02887	20.4
97.06526	16.2
97.10146	5.9
98.09687	2.4
99.04436	4.0
99.08090	6.1
103.05457	4.6
105.03378	0.9
105.04512	2.6
105.07025	77.1
105.53413	0.7
107.04958	9.9
107.08591	46.5
108.08876	1.0
109.02869	3.3
109.06507	10.7
109.10146	21.4
111.04448	2.9
111.08071	8.7
111.11672	1.0
113.05998	0.8
113.09656	2.3
115.05425	6.4
116.06208	2.5
117.07008	38.4
119.04974	1.0
119.08575	63.3
121.06483	4.6
121.10137	33.5
123.08073	8.7
123.11703	7.6
125.09634	4.5
127.03915	11.2
128.06232	8.0
129.05547	5.8
129.06996	23.7
130.07794	4.3
131.04898	1.6
131.08562	46.0
133.06480	2.9
133.10123	47.4
134.10423	1.4
135.08052	8.5
135.11687	22.1
137.06003	0.9
137.09634	5.2
137.13206	1.7
139.11174	1.8
141.06992	8.5
141.09152	0.8
142.07790	5.9
143.08554	23.7
144.09332	1.7
145.04945	9.0
145.06462	2.3
145.10112	39.4
146.10768	0.9
147.08072	4.1
147.11679	33.7
149.06100	0.8
149.09621	11.5
149.13252	17.5
151.11192	2.6
153.07018	1.8
153.09081	1.1
154.07780	2.3
155.08557	12.4
156.09303	2.3
157.10126	24.2
158.10864	1.2
159.08051	2.2
159.11688	33.8
161.09634	5.6
161.13248	17.6
163.06010	3.0
163.07353	0.9
163.11162	8.7
163.14795	2.4
165.07039	1.4
165.09129	1.8
165.12769	2.3
166.07744	1.2
167.08556	5.8
168.09348	1.9
169.10114	16.3
171.08052	1.2
171.10275	1.5
171.11658	20.6
172.12122	1.1
173.04425	2.3
173.09703	0.9
173.11751	1.6
173.13249	16.0
175.11205	3.4
175.14807	6.5
177.12706	6.1
179.08534	2.4
179.10762	1.0
179.14328	4.2
181.10107	7.5
183.10077	1.4
183.11674	16.3
185.09637	1.6
185.13239	14.7
185.23767	0.8
187.11185	2.7
187.14781	8.5
189.11266	1.5
189.12788	3.3
189.16380	2.7
191.14311	1.6
193.10162	2.5
193.12128	1.7
195.10110	1.1
195.11711	7.5
195.13800	6.6
197.11603	1.3
197.13254	11.4
198.13713	0.9
199.11221	1.7
199.13316	0.9
199.14856	7.3
201.12715	2.3
201.16428	3.1
203.12514	0.9
203.14386	1.8
207.11702	3.4
207.13786	3.6
209.13206	7.5
211.11209	1.0
211.14755	6.4
213.12924	1.5
213.14635	1.7
213.16467	5.3
215.14389	1.4
215.17950	2.0
217.15825	1.4
219.11736	1.4
219.17462	1.3
221.13264	3.6
221.15286	1.2
223.14847	5.4
225.11150	1.3
225.16386	3.7
227.12766	2.4
227.17883	3.0
229.14102	1.5
229.19537	3.0
229.21609	0.9
231.21083	2.8
233.15335	1.2
233.18962	1.3
235.14790	2.8
237.16307	2.7
239.18182	4.1
241.19658	8.9
243.12277	1.9
243.21045	1.0
245.18872	1.3
247.20595	2.4
251.18309	1.0
253.19708	1.8
257.18985	9.0
259.20572	26.5
261.22217	2.3
265.19391	1.4
267.15732	2.1
267.21207	1.1
269.17407	21.2
271.20627	1.5
273.18497	2.0
273.22049	1.3
275.20047	17.5
277.19183	1.1
277.21704	2.2
279.20963	1.4
281.17191	4.3
281.22437	1.0
283.20554	2.5
285.22260	1.8
287.20029	1.2
287.23569	1.1
297.22183	2.0
299.20108	1.2
299.23523	1.0
301.21622	1.9
303.23184	1.1
307.20551	1.1
309.22006	1.9
311.23618	1.4
313.21634	2.7
315.23260	5.2
321.22156	1.4
323.23550	1.9
325.21585	1.1
325.25128	1.1
327.23175	1.8
329.24844	1.2
331.22681	2.2
333.24271	23.9
335.25797	2.6
337.25137	2.2
339.23361	1.5
339.26785	1.6
341.24652	1.2
343.22617	1.2
349.23691	11.9
351.26559	1.5
353.24539	2.2
355.26318	1.2
365.24329	1.1
365.28680	1.1
367.22229	1.3
371.25964	1.1
379.30154	1.3
389.27609	0.9
391.30032	0.9
395.29416	0.9
417.31253	1.3
421.30814	2.0
423.32980	1.3
431.27859	1.0
433.30786	1.2
435.32404	3.0
445.29968	1.5
447.32315	1.4
453.33701	3.9
463.30490	2.9
471.34720	2.2
475.30365	3.0
487.34247	1.6
489.35217	1.4
501.35580	1.9
513.35748	4.2
515.37567	3.0
517.40338	4.9
525.35620	1.9
527.37286	20.4
535.41016	2.2
539.37299	3.3
543.36884	2.7
545.38153	2.6
557.37811	0.9
567.39777	1.9
569.37872	1.0
570.79907	1.0
591.44287	4.4
607.43604	8.3
609.45087	43.1
610.45435	2.5
625.44702	7.4
753.49255	1.0
771.49390	2.3
972.35297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	1.1
71.04997	7.4
71.08646	1.9
73.02910	3.0
76.58664	1.2
77.03922	2.4
79.05489	83.5
80.05827	1.8
81.03416	15.2
81.07052	100.0
83.04983	17.5
83.08168	1.6
83.08618	21.1
85.02898	18.2
85.06529	6.5
91.03965	6.5
91.05477	88.5
93.07038	83.3
94.07365	1.7
95.04962	21.2
95.08601	63.2
97.02883	13.6
97.06523	22.4
97.10162	15.3
98.20757	2.2
99.04447	2.9
99.08099	6.8
103.05449	3.7
105.04510	2.7
105.07026	75.4
107.04964	13.1
107.08586	57.9
109.02890	3.4
109.06519	10.9
109.10146	33.6
111.04445	3.8
111.08073	9.6
113.09638	2.4
115.05448	5.7
117.07018	34.8
119.08577	61.5
121.06488	6.1
121.10138	36.9
122.62324	1.4
123.08080	7.9
123.11672	8.9
125.09621	15.3
127.03915	10.7
128.06219	6.4
129.05476	4.0
129.06992	22.1
130.07773	3.9
131.08565	45.6
133.06483	3.6
133.10120	52.8
135.08031	8.4
135.11685	22.1
137.05946	1.4
137.09607	7.8
137.13345	1.7
139.11172	4.0
141.06972	7.2
142.07767	4.3
143.08554	22.8
145.04996	6.4
145.06436	3.6
145.10129	43.4
147.08072	6.7
147.11682	36.8
149.09612	22.2
149.13245	20.5
151.11179	5.9
152.46478	1.3
153.06909	2.6
153.09175	1.9
153.12752	1.4
154.07768	2.8
155.08542	9.8
155.10641	1.6
156.09317	1.8
157.10117	21.8
159.08020	3.0
159.11696	34.6
160.12209	1.8
161.09605	4.7
161.13249	17.1
163.06046	2.5
163.11188	13.4
163.14793	3.1
165.06909	1.8
165.09065	1.8
165.12753	3.4
167.08546	4.2
168.09366	2.3
169.10117	17.0
171.10283	2.1
171.11665	19.1
173.04492	2.8
173.05850	1.6
173.09619	4.5
173.11723	5.9
173.13271	19.7
175.11197	5.1
175.14786	5.7
177.12743	8.6
179.14212	7.0
181.10121	7.4
181.12230	2.5
183.11667	15.2
184.07294	2.6
185.09592	1.9
185.13225	15.7
187.11209	5.5
187.13289	2.5
187.14742	7.7
189.09674	1.3
189.11212	8.0
189.12756	4.2
189.16359	3.9
191.14365	1.9
193.10164	1.9
193.12384	1.8
195.10146	1.3
195.11697	7.8
195.13808	5.4
197.13257	14.2
199.11220	2.2
199.14795	8.5
201.12773	2.4
201.16422	2.7
203.14334	2.3
205.10074	1.6
205.12131	1.4
207.11658	4.1
207.13655	1.4
209.13211	4.7
211.14827	6.4
213.12816	1.6
213.14626	2.1
213.16394	3.7
215.14291	2.2
215.17926	2.3
219.13799	1.8
221.13371	1.8
223.14845	4.5
225.12921	1.7
225.16429	2.9
227.12685	15.9
227.18021	1.9
229.14246	9.1
229.16121	1.2
229.19447	3.9
231.17398	1.8
231.20981	3.0
233.15401	2.4
233.19031	2.0
235.14725	2.9
237.16402	3.2
239.18001	7.7
241.19553	11.0
243.15889	1.4
247.20616	3.2
253.14343	1.7
255.15652	8.7
257.15540	1.3
257.16449	1.8
257.18991	15.7
259.20557	24.3
267.15906	3.4
269.17435	27.6
271.20609	1.5
273.18512	3.7
275.20056	48.7
276.20514	2.3
277.21762	2.4
283.20444	2.6
285.22040	1.9
287.20215	1.5
289.14810	1.4
291.19446	6.7
293.21124	9.2
295.20700	1.8
299.20099	2.2
301.21640	2.8
311.23773	2.0
313.21552	3.3
315.23264	6.1
321.21762	1.5
323.23621	2.3
325.25113	1.4
329.24744	2.0
331.22681	5.2
333.24283	26.3
339.23187	2.5
343.22437	1.5
345.24319	1.7
347.22876	1.8
349.23755	38.2
350.23972	1.8
353.24622	1.6
355.26300	1.8
365.23383	4.9
367.25089	3.0
375.26654	1.6
395.29333	1.9
403.29858	1.5
415.28650	1.4
417.31644	1.5
421.30881	3.3
431.27963	2.5
433.30780	2.4
435.32599	3.3
439.32474	1.5
441.17307	1.4
445.29410	1.6
449.29010	4.2
451.32092	2.5
453.33444	2.7
459.31949	2.3
463.30603	10.1
469.33029	1.4
487.34460	6.2
495.34827	2.8
499.33609	1.7
503.33710	2.4
513.35730	36.7
514.35516	1.9
515.37897	4.6
525.35486	5.0
527.37366	26.5
529.34790	2.1
531.36774	2.8
533.39453	2.8
543.36633	17.9
544.37775	1.8
545.38446	3.0
551.41156	1.8
555.37134	2.1
561.37750	2.7
597.44690	2.5
607.34351	2.4
607.43524	33.0
623.42883	5.8
624.42932	1.7
625.34485	2.5
625.44556	29.5
641.44196	7.3
769.48450	2.3
1008.15778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03948	3.9
55.01600	0.9
55.01870	14.8
55.05511	34.7
56.05035	10.6
56.96566	12.3
57.03436	5.2
57.07057	1.1
58.02943	1.1
58.06604	6.4
58.99849	2.4
59.04764	0.9
59.04999	10.9
59.06124	57.9
59.96158	0.9
59.99919	1.9
60.04523	6.0
60.95847	4.9
61.02913	1.6
68.02644	4.7
68.99790	1.6
69.01903	2.0
69.03391	1.2
69.04558	1.5
70.66216	2.3
70.66610	1.8
70.99834	1.4
71.01350	5.5
71.02982	0.9
71.04980	3.4
71.95237	1.0
72.04513	0.8
72.08152	10.0
72.52951	3.1
73.02917	28.0
74.00233	0.8
74.06057	3.4
74.52683	1.0
75.01907	1.9
77.00887	8.1
78.00981	2.2
79.00641	0.9
79.01823	3.5
81.03398	1.2
81.53455	1.2
82.01420	1.3
83.00813	1.7
83.01476	2.7
83.04495	1.1
83.04977	15.3
83.06058	1.7
84.02396	1.1
84.04498	5.6
84.06867	2.5
84.08121	3.4
84.52943	1.1
85.02908	10.4
85.51897	1.1
86.52684	2.5
87.01903	1.6
89.00817	1.8
90.02451	0.8
91.03929	1.1
95.01931	3.4
98.37080	0.8
98.52666	1.4
98.97561	2.6
100.02476	9.3
100.98884	1.3
101.00888	11.6
101.02489	33.1
101.06021	11.6
101.07186	5.2
101.07935	5.1
101.10784	0.8
102.02231	14.6
102.05514	3.0
102.09164	3.4
113.00856	1.0
115.01189	1.9
115.02472	0.9
116.98640	1.9
118.03526	8.8
119.01919	100.0
119.03602	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	15.6
56.96547	4.0
57.04553	2.3
57.57957	1.3
58.96183	1.5
58.99834	1.4
59.06120	35.9
59.99931	2.0
60.04523	10.2
60.95834	3.9
63.01268	1.5
63.09758	1.2
68.02630	1.4
71.09804	3.2
72.08145	1.5
74.06071	3.4
79.01850	1.5
82.01417	2.0
83.01503	6.9
83.06108	4.3
83.25426	1.5
84.01185	3.0
84.04484	3.0
85.27402	1.3
89.32933	1.2
91.17937	1.2
92.92516	1.2
100.02484	6.1
101.00874	16.4
101.02550	37.1
101.07142	8.5
102.02236	13.5
118.03510	2.5
119.01917	100.0
119.03600	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	1004.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96088	3.5
71.04987	3.6
71.08622	7.0
73.02914	5.3
77.03917	1.7
79.05489	62.8
81.03416	11.7
81.07050	79.1
83.04975	13.2
83.08611	17.8
83.55083	1.1
85.02900	20.5
85.06529	4.9
87.04453	1.8
91.03965	8.3
91.04603	1.2
91.05475	66.4
93.07037	73.4
95.04955	13.8
95.08601	59.9
96.68104	1.1
97.02882	13.5
97.06529	8.1
97.10142	8.6
99.04435	3.3
99.08083	7.9
102.24514	1.0
103.05484	2.3
105.04505	2.1
105.07024	60.0
106.07307	1.6
107.04946	4.0
107.08582	40.6
109.02888	3.1
109.06516	5.9
109.10141	23.2
111.04427	3.0
111.08067	6.1
113.09616	1.9
115.03928	1.9
115.05441	4.3
117.06232	2.1
117.07015	29.1
119.08572	46.4
121.06473	3.4
121.10128	29.5
123.08062	4.2
123.11694	8.2
125.09636	5.3
127.03896	10.6
128.06204	3.8
129.05521	7.6
129.06990	19.5
130.07756	1.2
131.08556	42.7
133.06500	2.3
133.09114	2.1
133.10120	33.6
135.08052	4.3
135.11681	22.9
137.09624	3.5
137.13254	1.9
139.11177	1.9
141.06964	5.8
141.12755	1.0
142.07791	3.3
143.08554	21.1
144.09267	1.5
145.04984	7.0
145.06482	2.7
145.10115	38.2
147.08047	2.0
147.10521	1.8
147.11667	24.4
149.09625	2.9
149.13231	15.0
151.11189	5.2
151.14716	1.1
153.07011	1.1
153.12741	1.2
154.07729	1.5
155.08540	12.4
155.10637	1.9
157.10123	22.1
159.08043	1.9
159.11678	28.7
161.09581	2.7
161.13231	18.7
163.05981	3.1
163.11162	5.8
163.14795	4.9
165.12714	1.6
167.08556	3.8
168.09430	1.8
169.10129	13.0
171.07985	1.2
171.11646	19.4
173.04604	1.1
173.05923	1.1
173.09547	1.8
173.11757	3.1
173.13210	16.7
175.11201	2.7
175.14795	7.2
177.12738	3.5
177.16405	2.6
179.08534	2.7
179.14322	2.5
181.10120	7.2
183.11693	8.1
185.13243	10.2
187.14795	8.7
189.11179	1.7
189.12723	2.9
189.16377	3.0
193.10179	1.4
193.15778	1.4
194.10988	1.3
195.11717	6.8
195.13814	3.6
197.13246	10.0
199.13159	2.3
199.14810	12.2
201.12717	1.9
201.16298	5.3
203.14441	1.7
203.17961	2.3
205.19585	1.5
207.11737	1.6
209.13277	5.2
211.14801	6.5
213.16447	6.4
215.14343	1.4
215.17935	3.2
217.15907	1.1
217.19447	2.3
223.14818	2.7
225.16309	4.9
227.12813	3.3
227.18039	2.3
229.14180	6.8
229.19550	4.1
231.17569	1.2
231.21083	3.0
235.14902	2.2
237.16309	4.2
239.17972	4.7
241.19568	11.7
243.21106	6.0
245.13756	3.6
251.17940	1.1
253.19685	1.9
257.15479	1.2
257.18976	7.5
259.20547	19.2
261.22110	10.2
265.19437	1.1
267.15887	2.0
267.21072	2.4
269.17429	14.5
271.20590	2.1
273.18518	1.5
273.22037	1.5
275.20108	5.6
277.21689	5.8
283.20596	1.4
285.22000	1.6
287.20071	2.0
293.21170	3.5
295.20377	1.6
297.22086	2.2
299.20059	1.5
299.23587	1.3
301.21481	2.4
309.22168	2.9
311.20236	1.9
311.23621	1.9
313.21582	3.0
315.23282	6.0
315.26315	1.2
317.24905	1.9
323.23825	2.0
325.21646	2.0
325.25250	2.7
327.23108	1.4
329.24753	1.8
331.22797	2.8
333.24246	21.0
335.25827	18.6
337.27344	3.6
339.23172	1.6
339.26831	1.9
341.24512	2.2
343.26169	1.4
349.23853	3.7
351.25491	5.6
353.24719	2.1
367.30106	1.7
381.31696	2.2
389.26834	1.7
403.29071	1.3
409.31091	1.9
419.33163	1.5
423.32236	1.3
433.29388	1.8
435.32413	4.4
437.34055	4.4
447.31302	2.0
453.33566	4.7
455.35187	1.3
471.34625	2.6
487.33844	2.5
489.35568	4.2
501.35458	2.2
509.36249	1.9
511.37796	1.3
513.35907	6.3
515.37347	6.5
517.39532	3.5
519.42462	6.0
526.64215	1.4
527.37286	24.8
529.38934	17.3
535.41339	2.7
537.42755	4.2
541.38538	3.7
545.38428	2.7
593.45514	8.1
609.45087	19.4
611.46667	100.0
612.46655	4.7
623.47491	1.6
627.46149	15.8
701.47943	2.2
719.48859	2.1
737.48956	2.1
755.50848	2.2
773.51923	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	1003.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76178	2.3
70.76537	1.1
79.05470	1.6
81.03381	1.6
82.06583	1.8
85.02900	4.0
91.05467	1.6
93.07032	3.4
94.06565	6.5
95.07326	3.3
96.08134	8.3
97.02870	3.3
98.83704	1.0
106.06551	4.8
107.07323	2.5
108.08121	11.5
109.02883	2.4
110.06023	1.5
110.09679	13.0
118.71297	0.8
120.04417	2.7
120.08111	12.7
122.06023	10.6
122.09657	3.2
124.07586	6.3
127.03875	1.2
132.08110	1.2
134.05991	1.9
134.09644	2.3
136.07582	16.0
138.05473	1.4
138.09122	20.2
138.10098	1.4
144.04391	2.2
146.06009	15.5
146.09731	0.9
148.07570	12.4
150.05525	1.1
150.09125	11.1
152.07054	12.8
158.05975	1.1
160.07561	1.1
162.05510	2.7
162.09106	1.2
164.07051	8.1
166.08626	60.6
172.03931	16.1
174.05458	1.4
174.09119	1.6
178.08701	1.0
182.08170	4.5
182.09599	1.2
190.04974	15.0
197.10677	1.8
198.11591	2.5
204.06552	26.6
209.10533	1.1
209.46492	1.0
210.11353	2.0
211.08701	1.4
211.12329	4.0
212.13060	1.9
213.13731	1.0
218.08078	2.3
222.11530	1.5
223.08784	1.4
223.12286	3.9
225.10277	4.6
225.13814	2.2
226.10966	3.3
227.11816	3.7
235.08658	2.5
235.12294	1.1
236.09373	2.3
237.10173	6.0
237.13867	2.9
238.10893	4.9
239.11768	8.4
240.12563	1.2
241.07562	1.9
241.09709	1.4
241.13356	1.4
243.11305	1.1
246.07565	1.7
248.09431	2.2
249.10255	10.0
250.10951	8.5
251.11792	14.3
252.08891	1.0
252.12520	4.1
253.09660	2.2
253.13399	6.7
255.11206	2.5
257.12888	1.7
259.08548	5.0
259.14423	1.1
263.11758	23.9
264.08774	3.0
264.12598	5.8
265.09778	5.8
265.13330	16.1
266.10461	2.5
266.14075	2.2
267.11255	9.3
267.14902	1.6
268.11884	1.8
269.12643	4.4
271.10931	1.9
271.14435	5.9
273.12350	3.7
275.11713	1.2
276.08847	1.2
277.03458	1.4
277.09769	5.1
277.12637	1.1
278.10587	4.8
279.11282	23.2
280.11948	1.9
281.12836	16.4
282.10101	2.0
283.10776	4.4
283.14056	2.2
284.11606	2.8
285.12363	13.0
286.13223	1.1
287.13962	2.1
291.11249	30.6
292.12000	7.8
293.12811	28.7
294.13361	1.4
295.10779	6.3
295.13840	1.6
296.11490	2.9
297.12317	35.2
298.12952	3.8
299.11002	0.9
299.13873	22.4
303.01337	2.1
307.10730	4.4
309.12326	23.8
310.12997	1.1
311.10190	2.9
311.13873	14.3
313.11670	1.8
315.13400	16.1
319.10764	17.9
321.12317	3.9
323.10379	5.0
323.16248	2.0
325.11801	31.5
327.13229	5.3
337.11804	100.0
338.12125	3.3
339.13232	5.9
343.12848	3.4
351.13400	3.2
355.12888	4.0
356.13617	1.3
357.14493	12.5
358.15219	1.4
364.61392	0.9
369.14441	7.5
370.15289	1.4
371.16022	3.5
372.16953	1.0
373.13922	2.0
399.15793	1.4
401.13562	7.2
402.18097	1.2
404.19547	2.5
416.15530	1.5
418.21439	1.7
420.95227	1.2
422.20526	1.2
430.17532	2.7
432.19162	2.7
433.15851	1.3
444.19223	2.3
446.21451	4.4
448.18353	1.7
449.19382	2.5
450.20370	4.6
458.16821	3.6
461.19431	2.0
462.20209	6.2
464.22012	19.6
472.18527	6.3
474.20282	2.2
476.17917	1.9
482.19284	2.3
487.17090	5.2
490.19659	36.8
492.20721	1.4
494.18884	2.3
506.22528	1.1
508.20834	4.8
514.21655	2.1
522.22357	20.4
526.21661	1.3
539.14307	2.5
557.15515	1.9
603.27936	2.8
608.26355	1.3
611.25006	6.5
626.27057	33.1
629.26141	13.0
634.23584	4.2
643.26910	2.9
647.27075	45.5
648.27502	1.8
651.24243	1.0
652.24976	74.5
653.25171	3.4
654.26447	1.1
661.28503	1.3
670.25537	4.1
679.29663	19.9
684.27588	46.5
685.27728	2.2
773.29706	3.1
791.31317	6.2
805.32391	1.6
809.32349	36.2
810.32343	2.1
814.29980	5.7
815.30072	1.1
841.34882	20.8
971.37335	2.9
1003.37982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	1.4
71.05000	6.4
73.02896	5.0
73.06580	1.3
74.09702	1.4
74.32874	1.2
77.03927	2.9
79.05489	95.6
81.03410	19.3
81.07050	98.6
83.04984	11.9
83.08606	18.1
85.02895	24.8
85.06532	4.8
91.03957	13.1
91.05476	99.7
92.05844	1.4
93.07037	93.7
95.04964	17.0
95.08602	75.4
97.02889	16.6
97.06520	12.6
97.10185	11.7
98.21583	2.8
99.04440	4.3
99.08081	5.9
101.02409	1.5
103.05468	4.9
105.04525	2.8
105.07022	100.0
107.04956	9.4
107.08588	55.2
108.53624	1.3
109.02873	4.1
109.06499	11.7
109.10153	29.6
111.04433	2.9
111.08093	7.5
111.11656	1.8
115.03960	1.3
115.05415	7.9
116.06213	3.0
117.07010	45.8
119.03391	1.4
119.08573	75.1
121.06497	4.2
121.10141	41.1
123.08057	5.8
123.11701	9.9
125.09621	5.0
127.03909	12.6
128.06186	6.5
129.05534	6.0
129.06993	31.5
130.07803	4.4
131.04967	1.7
131.08560	58.0
131.09543	3.1
133.06471	3.8
133.10124	60.7
135.08057	5.7
135.11685	27.0
137.09613	4.4
137.13205	1.5
139.11200	3.5
141.06981	9.7
142.07784	6.5
143.08545	34.1
144.09256	2.0
144.73648	1.3
145.04967	11.0
145.06389	3.1
145.10112	54.1
145.40718	1.2
147.08047	4.2
147.11678	43.9
149.09619	9.9
149.13242	16.6
151.11197	2.9
153.07021	2.8
154.07774	2.7
155.08542	19.1
156.09319	3.2
157.10121	33.9
159.08038	3.8
159.11679	39.8
160.12384	1.3
161.09604	3.9
161.13252	21.0
163.05984	2.8
163.11200	4.8
163.14769	4.5
165.06963	3.1
165.12680	2.2
167.08575	9.9
168.09325	2.4
169.10118	26.9
169.11406	2.3
170.10841	1.6
171.08084	2.2
171.10262	2.8
171.11679	32.9
173.04488	2.6
173.09683	4.2
173.11783	2.6
173.13220	23.5
175.06041	1.6
175.11229	4.8
175.14809	10.3
177.12720	4.2
177.16269	1.8
179.08479	3.8
179.14378	2.2
180.09282	1.8
181.10130	10.6
182.10806	1.7
183.11693	23.6
184.12364	1.6
185.13258	21.7
187.11205	3.1
187.14780	9.2
189.12767	3.3
189.16441	4.0
191.14261	2.0
193.10181	2.8
193.12132	1.4
195.11678	15.2
195.13570	2.2
197.09578	1.7
197.13249	16.6
199.14819	13.4
201.12680	2.2
201.16345	6.3
203.14209	2.4
203.18060	2.0
207.11792	6.7
207.13649	1.5
209.13284	12.7
211.14832	10.2
213.12843	2.7
213.14569	1.4
213.16464	8.3
215.14351	1.7
215.17953	3.9
217.15912	2.6
217.19543	1.6
221.13272	5.5
223.14922	7.5
225.16393	6.9
227.12701	2.3
227.17937	3.8
229.14330	5.4
229.19464	2.4
231.20995	3.1
233.13229	1.7
235.14775	4.2
237.16344	5.9
239.17917	5.9
241.19655	15.0
243.21155	2.7
247.20590	1.8
249.16367	2.5
251.17928	5.3
257.15085	1.4
257.19022	11.3
259.20575	33.8
261.22131	3.0
263.17850	1.9
265.19550	3.5
267.16040	3.6
269.17368	11.5
271.20581	2.4
273.18488	4.4
273.22180	1.6
275.20126	11.5
277.21698	3.1
279.21136	1.9
281.17899	1.2
283.20624	3.7
285.22061	3.0
287.23703	1.8
291.19711	2.0
293.21100	1.6
295.20517	3.4
297.22134	3.9
299.20044	2.0
299.23584	1.5
301.21674	2.3
302.53418	1.3
303.15933	1.7
307.20483	1.6
309.21985	3.9
311.20264	3.0
311.23734	3.4
311.49783	1.3
313.21674	3.7
315.23303	7.1
321.22079	1.8
323.19672	1.8
323.23654	2.4
325.21631	2.6
327.23102	2.8
331.22690	3.2
333.24277	37.8
335.25668	5.6
337.21484	3.0
337.25308	4.1
339.23178	3.7
339.26791	1.7
341.24725	2.8
349.23926	8.5
351.26822	3.2
353.24841	2.1
355.26089	2.1
365.28510	2.9
367.26514	2.7
375.25784	1.7
379.25919	2.1
381.27914	2.1
385.23636	2.0
391.29633	1.8
395.29349	2.3
403.29587	1.5
417.31540	3.7
421.30475	3.3
433.30334	2.1
435.32565	7.3
447.32529	2.7
453.33994	6.2
471.34976	1.7
473.32990	1.9
477.34033	1.4
485.32693	2.2
487.34106	4.6
489.35693	2.3
499.33600	1.7
501.35257	3.5
509.36078	3.3
513.35956	9.7
515.37769	6.2
517.40387	10.0
525.35486	2.4
527.37335	35.6
533.39899	1.9
535.41223	5.1
538.36920	1.6
539.37213	5.3
545.38165	3.7
551.40564	2.0
591.43713	5.7
607.43365	15.5
609.45087	97.5
610.45123	4.7
621.45227	2.3
625.44446	16.2
651.46185	1.5
653.39764	1.7
671.41669	1.7
751.47650	1.5
769.48938	1.7
771.50262	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	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	5.4
73.02902	2.8
79.05023	2.7
79.05489	86.9
81.03395	15.1
81.07051	92.5
82.07346	2.9
83.04966	12.5
83.08613	22.8
85.02907	20.5
85.06536	6.0
91.03963	5.5
91.05473	90.9
93.05431	2.7
93.07034	89.9
95.04969	21.0
95.08599	63.4
97.02887	11.0
97.06524	15.5
97.10173	12.1
99.04454	3.0
99.08043	3.2
103.05463	3.5
105.04495	3.4
105.07023	100.0
107.04942	5.9
107.08583	59.5
109.06510	9.1
109.10149	27.0
111.08056	7.2
115.05418	7.0
117.07021	36.3
119.08574	73.6
121.06472	4.1
121.10130	36.6
123.08048	6.3
123.11681	8.8
125.09621	8.1
127.03918	4.3
128.06186	7.0
129.05426	4.2
129.07022	24.3
130.07732	3.7
131.08569	54.3
133.06442	3.1
133.10118	54.7
135.08026	6.6
135.11697	27.4
137.09602	5.0
141.06981	9.2
142.07796	3.7
143.08543	24.3
145.06482	3.4
145.10118	37.4
147.08051	5.3
147.11684	38.2
149.09621	13.1
149.13254	9.9
155.08549	13.7
156.09241	3.0
157.10118	26.3
159.08083	3.7
159.11687	36.5
161.09637	3.7
161.13237	20.0
163.11168	8.6
163.14786	3.0
165.07016	2.7
165.12766	3.9
167.08542	4.0
168.09206	3.2
169.10104	19.8
170.64716	2.3
171.08051	2.7
171.11658	25.9
173.04434	5.5
173.09579	3.3
173.11871	4.0
173.13197	18.6
173.83894	2.8
175.11166	4.1
175.14806	9.2
177.12709	5.3
181.10100	9.6
183.11670	13.4
184.07324	8.4
184.12437	2.8
185.13174	16.8
187.11224	2.9
187.14810	9.3
189.11192	3.8
189.16431	2.5
193.10106	4.3
195.11629	8.2
195.13803	3.9
197.13228	11.0
199.14815	11.4
201.16333	5.5
207.11638	4.5
209.13248	7.6
211.14844	8.8
213.16393	5.8
215.17969	3.6
217.15848	3.4
218.98119	2.5
221.13283	5.2
223.14830	3.8
225.16273	4.7
229.19553	2.8
231.17429	3.0
231.21068	5.2
235.14713	3.6
239.18004	4.1
241.19487	18.9
255.15880	8.9
257.19034	9.1
259.20581	55.5
267.15826	4.1
269.17422	22.5
275.20056	22.4
293.99817	2.4
313.21518	3.2
315.23264	6.0
333.24237	67.3
335.25998	3.6
345.24072	2.6
349.23746	18.4
351.25449	3.5
435.32394	9.2
437.34607	2.7
445.29803	3.4
453.33426	3.7
487.34482	3.1
489.35669	2.7
497.36691	3.9
509.36133	4.5
513.35803	31.3
515.37628	6.7
527.30237	4.0
527.37354	64.4
531.36487	5.8
533.40131	5.4
545.38190	9.5
607.43481	53.4
625.44458	48.1
635.39160	3.3
671.41077	4.9
689.42328	7.9
733.46210	4.2
769.48364	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	1000.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	2.5
71.52282	1.8
73.57422	1.1
76.00188	1.3
79.05025	1.4
79.05492	35.7
81.03427	9.5
81.07053	53.7
83.04990	7.2
83.08622	6.2
83.74478	1.2
85.02923	2.9
85.06527	2.7
91.05479	51.4
93.07043	42.7
95.01322	5.5
95.04964	9.5
95.08604	28.1
97.02905	2.1
97.05924	2.2
97.06528	25.6
97.10163	3.8
99.08097	2.3
103.05447	3.3
105.07025	72.0
107.04954	14.3
107.08585	23.5
109.02866	1.6
109.06508	4.1
109.10140	8.2
111.08075	3.4
112.45731	1.4
115.05453	2.4
117.07005	19.4
119.08582	40.2
121.06517	3.9
121.10132	11.8
123.04378	1.3
123.08078	6.6
123.08837	1.3
123.11690	3.2
125.09602	2.8
127.03870	1.9
129.07004	5.0
131.08574	28.9
133.06505	1.2
133.10126	43.8
133.11113	2.6
135.08051	4.0
135.11664	8.7
137.09613	2.3
139.07509	1.9
139.60634	1.3
141.06978	2.0
142.07811	1.4
143.08548	6.6
145.06502	2.2
145.10124	19.6
147.08078	2.3
147.11684	20.2
149.09596	8.0
149.13246	7.1
151.11259	1.7
155.08615	3.3
155.82678	1.1
157.10161	4.1
159.11700	14.6
161.09714	1.5
161.13258	11.0
163.11194	4.9
169.10089	2.4
171.11700	4.8
173.13220	5.8
175.11217	1.9
175.14780	2.7
177.12775	4.5
179.14297	16.0
183.11644	3.0
185.13249	2.7
187.11203	2.7
187.14818	1.7
189.12839	1.7
189.16496	1.1
195.13763	2.2
197.13184	2.0
199.14847	1.3
205.12218	2.2
209.15184	1.1
215.17880	2.0
227.12837	1.5
229.19585	1.8
231.21069	1.9
239.17964	4.4
241.19476	7.7
247.20572	3.4
251.16383	1.5
257.18976	10.0
259.20624	12.0
269.17450	16.6
275.20056	100.0
276.20367	3.6
279.16080	2.9
291.19662	1.3
293.21066	5.2
315.23148	4.0
326.21436	1.3
331.22656	2.7
333.24228	21.9
349.23721	55.5
350.23978	2.4
351.25528	1.5
413.21158	1.4
420.95517	1.1
475.26648	1.3
510.73022	1.2
513.35767	2.0
543.36761	54.7
544.37115	3.8
545.86029	1.2
554.50012	1.4
555.36871	1.4
595.43756	1.3
607.43500	55.9
608.43835	2.8
623.43042	15.6
625.44537	9.9
641.44238	3.1
687.40759	2.0
855.29761	1.6
922.76379	1.5
944.33801	1.2
END